A0A077ZE89_TRITR Loading...

Kunitz BPTI and Lustrin cystein domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE89, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 436 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	58.3	Low	79.4	Confident	194 Å²	194	82.2 Å²	82.2	96%	0.956	43%	0.425	S	S	*	.				0	-52.9	0	-97.1	-169.5	-73	0	0	112.3	Q3 T4 I5	M1-Q3 PolarHBondContact O-N 3.2Å; M1-T4 WeakPolarHBondContact O-CB 3.02Å; M1-T4 PolarHBondContact O-N 2.92Å; M1-T4 VanDerWaalsContact O-N 3.12Å; M1-I5 WeakPolarHBondContact O-CG1 3.43Å; M1-I5 PolarHBondContact O-N 3.45Å; M1-I5 VanDerWaalsContact O-N 3.14Å
2	E	60.1	Low	80.5	Confident	97 Å²	97	90.9 Å²	90.9	45%	0.453	46%	0.457	S	S	.	.	H	α-helix	trans	-57.5	-43	-175.5	-159	-173.2	147.7	0	0	113.9	T4 I5 K6 V64	E2-T4 PolarHBondContact O-N 3.43Å; E2-I5 PolarHBondContact O-N 2.88Å; E2-K6 PolarHBondContact O-N 3.43Å; E2-K6 VanDerWaalsContact O-N 3.07Å; E2-K6 WeakPolarHBondContact OE1-CE 3.5Å; E2-K6 IonicContact OE1-NZ 2.78Å; E2-K6 PolarHBondContact OE1-NZ 3.4Å; E2-V64 HydrophobicContact CG-CB 4.34Å; E2-V64 HydrophobicContact CG-CG1 3.44Å; E2-V64 VanDerWaalsContact CG-CG1 3.44Å; E2-V64 HydrophobicContact CG-CG2 4.14Å
3	Q	64.4	Low	81.3	Confident	166 Å²	166	88.2 Å²	88.2	78%	0.776	44%	0.444	S	S	*	.	H	α-helix	trans	-60.5	-43.6	175.3	-80.6	169.3	-24	0	0	112.7	M1 I5 K6 V7	M1-Q3 PolarHBondContact O-N 3.2Å; Q3-I5 VanDerWaalsContact C-N 3.3Å; Q3-I5 PolarHBondContact O-N 2.82Å; Q3-K6 PolarHBondContact O-N 3.49Å; Q3-V7 VanDerWaalsContact O-CG2 3.31Å; Q3-V7 WeakPolarHBondContact O-CG2 2.98Å; Q3-V7 PolarHBondContact O-N 3.49Å
4	T	80.6	Confident	82.3	Confident	85 Å²	85	85.6 Å²	85.6	52%	0.521	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-39.7	179	-45.7	0	0	0	0	111.6	M1 E2 V7 I8	M1-T4 WeakPolarHBondContact O-CB 3.02Å; M1-T4 PolarHBondContact O-N 2.92Å; M1-T4 VanDerWaalsContact O-N 3.12Å; E2-T4 PolarHBondContact O-N 3.43Å; T4-V7 PolarHBondContact O-N 3.42Å; T4-I8 HydrophobicContact CG2-CD1 4.02Å; T4-I8 WeakPolarHBondContact O-CG1 3.24Å; T4-I8 PolarHBondContact O-N 3.46Å
5	I	81.6	Confident	82.9	Confident	26 Å²	26	83.7 Å²	83.7	13%	0.133	43%	0.428	C	S	.	.	H	α-helix	trans	-67.7	-46.7	179.2	-64.9	166.6	0	0	0	110.5	M1 E2 Q3 V7 I8 C9 F60 V64	M1-I5 WeakPolarHBondContact O-CG1 3.43Å; M1-I5 PolarHBondContact O-N 3.45Å; M1-I5 VanDerWaalsContact O-N 3.14Å; E2-I5 PolarHBondContact O-N 2.88Å; Q3-I5 VanDerWaalsContact C-N 3.3Å; Q3-I5 PolarHBondContact O-N 2.82Å; I5-V7 VanDerWaalsContact C-N 3.27Å; I5-V7 PolarHBondContact O-N 2.9Å; I5-I8 PolarHBondContact O-N 2.76Å; I5-C9 WeakPolarHBondContact O-CB 2.77Å; I5-C9 PolarHBondContact O-N 3.23Å; I5-C9 PolarHBondContact O-SG 3.3Å; I5-F60 HydrophobicContact CB-CE1 4.28Å; I5-F60 HydrophobicContact CB-CZ 4.41Å; I5-F60 HydrophobicContact CG1-CE1 4.1Å; I5-F60 HydrophobicContact CG1-CE2 4.1Å; I5-F60 HydrophobicContact CG1-CZ 3.76Å; I5-F60 HydrophobicContact CG2-CD1 4.14Å; I5-F60 HydrophobicContact CG2-CE1 3.98Å; I5-F60 HydrophobicContact CG2-CZ 4.5Å; I5-F60 WeakPolarHBondContact CG2-O 3.23Å; I5-V64 HydrophobicContact CB-CB 4Å; I5-V64 HydrophobicContact CB-CG1 4.07Å; I5-V64 HydrophobicContact CB-CG2 3.68Å; I5-V64 HydrophobicContact CD1-CG2 3.37Å; I5-V64 HydrophobicContact CG1-CG2 4.08Å; I5-V64 HydrophobicContact CG2-CB 3.48Å; I5-V64 VanDerWaalsContact CG2-CB 3.48Å; I5-V64 HydrophobicContact CG2-CG1 3.95Å; I5-V64 HydrophobicContact CG2-CG2 3.49Å; I5-V64 VanDerWaalsContact CG2-CG2 3.49Å
6	K	79.2	Confident	83.5	Confident	92 Å²	92	79.6 Å²	79.6	40%	0.4	41%	0.413	S	S	.	.	H	α-helix	trans	-55.6	-44.3	174.6	-70.8	-179.5	-174.9	164.9	0	111.3	E2 Q3 S10 V64	E2-K6 PolarHBondContact O-N 3.43Å; E2-K6 VanDerWaalsContact O-N 3.07Å; E2-K6 WeakPolarHBondContact OE1-CE 3.5Å; E2-K6 IonicContact OE1-NZ 2.78Å; E2-K6 PolarHBondContact OE1-NZ 3.4Å; Q3-K6 PolarHBondContact O-N 3.49Å; K6-S10 WeakPolarHBondContact O-CB 3.29Å; K6-S10 PolarHBondContact O-N 3.3Å; K6-S10 PolarHBondContact O-OG 3.3Å; K6-S10 VanDerWaalsContact O-OG 3.07Å; K6-V64 HydrophobicContact CD-CG1 4.24Å; K6-V64 HydrophobicContact CG-CG1 3.51Å
7	V	86	Confident	84.1	Confident	88 Å²	88	80.8 Å²	80.8	53%	0.533	42%	0.419	S	S	.	.	H	α-helix	trans	-60.1	-52.3	178	170.9	0	0	0	0	110.8	Q3 T4 I5 S10 Q11	Q3-V7 VanDerWaalsContact O-CG2 3.31Å; Q3-V7 WeakPolarHBondContact O-CG2 2.98Å; Q3-V7 PolarHBondContact O-N 3.49Å; T4-V7 PolarHBondContact O-N 3.42Å; I5-V7 VanDerWaalsContact C-N 3.27Å; I5-V7 PolarHBondContact O-N 2.9Å; V7-S10 PolarHBondContact O-N 2.79Å; V7-S10 PolarHBondContact O-OG 2.89Å; V7-Q11 WeakPolarHBondContact O-CG 3.34Å
8	I	91.2	Very high	84.5	Confident	27 Å²	27	87.7 Å²	87.7	14%	0.138	44%	0.439	C	S	.	.	H	α-helix	trans	-61	-51.2	-178.7	-70.7	166.2	0	0	0	110.9	T4 I5 S10 Q11 S48 N49 F60	T4-I8 HydrophobicContact CG2-CD1 4.02Å; T4-I8 WeakPolarHBondContact O-CG1 3.24Å; T4-I8 PolarHBondContact O-N 3.46Å; I5-I8 PolarHBondContact O-N 2.76Å; I8-S10 PolarHBondContact O-N 3.28Å; I8-Q11 WeakPolarHBondContact O-CB 3.3Å; I8-Q11 WeakPolarHBondContact O-CG 3.03Å; I8-Q11 PolarHBondContact O-N 3.44Å; I8-Q11 VanDerWaalsContact O-N 3.08Å; I8-S48 WeakPolarHBondContact CG2-O 3.34Å; I8-N49 WeakPolarHBondContact O-CB 3.35Å; I8-F60 HydrophobicContact CB-CE1 3.87Å; I8-F60 HydrophobicContact CB-CZ 4.45Å; I8-F60 HydrophobicContact CD1-CE1 3.97Å; I8-F60 HydrophobicContact CD1-CZ 3.67Å; I8-F60 HydrophobicContact CG2-CD1 4.41Å; I8-F60 HydrophobicContact CG2-CE1 3.64Å; I8-F60 HydrophobicContact CG2-CZ 4.4Å
9	C	89.7	Confident	85	Confident	0 Å²	0	85.2 Å²	85.2	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-70.6	-20.5	-175.2	-59.6	0	0	0	0	113.3	I5 Q11 F29 C61	I5-C9 WeakPolarHBondContact O-CB 2.77Å; I5-C9 PolarHBondContact O-N 3.23Å; I5-C9 PolarHBondContact O-SG 3.3Å; C9-Q11 VanDerWaalsContact C-N 3.3Å; C9-F29 HydrophobicContact CB-CB 4.49Å; C9-F29 HydrophobicContact CB-CD1 3.95Å; C9-F29 HydrophobicContact CB-CG 4.42Å; C9-F29 WeakPolarHBondContact O-CD1 3.5Å; C9-C61 HydrophobicContact CB-CB 3.66Å; C9-C61 WeakPolarHBondContact CB-SG 3.33Å; C9-C61 WeakPolarHBondContact SG-CA 3.3Å; C9-C61 WeakPolarHBondContact SG-CB 3.46Å; C9-C61 CovalentContact SG-SG 2.03Å; C9-C61 PolarHBondContact SG-SG 3.37Å
10	S	89.4	Confident	85.4	Confident	70 Å²	70	89.8 Å²	89.8	49%	0.49	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.9	172.5	70.9	0	0	0	0	114.4	K6 V7 I8	K6-S10 WeakPolarHBondContact O-CB 3.29Å; K6-S10 PolarHBondContact O-N 3.3Å; K6-S10 PolarHBondContact O-OG 3.3Å; K6-S10 VanDerWaalsContact O-OG 3.07Å; V7-S10 PolarHBondContact O-N 2.79Å; V7-S10 PolarHBondContact O-OG 2.89Å; I8-S10 PolarHBondContact O-N 3.28Å
11	Q	92.4	Very high	85.7	Confident	59 Å²	59	87.5 Å²	87.5	28%	0.276	45%	0.45	S	S	.	.	S	Bend	trans	-68.1	137.9	179.1	-62.3	176.2	-19.4	0	0	110.4	V7 I8 C9 S48 N49	V7-Q11 WeakPolarHBondContact O-CG 3.34Å; I8-Q11 WeakPolarHBondContact O-CB 3.3Å; I8-Q11 WeakPolarHBondContact O-CG 3.03Å; I8-Q11 PolarHBondContact O-N 3.44Å; I8-Q11 VanDerWaalsContact O-N 3.08Å; C9-Q11 VanDerWaalsContact C-N 3.3Å; Q11-S48 VanDerWaalsContact OE1-N 3.14Å; Q11-N49 HydrophobicContact CB-CB 4.04Å; Q11-N49 PolarHBondContact O-ND2 2.72Å
12	K	93.2	Very high	87.1	Confident	187 Å²	187	83 Å²	83	81%	0.813	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-61.3	151.8	174.8	-65.8	-178.4	179	179.3	0	111	N14 N47	K12-N14 PolarHBondContact O-N 3.46Å; K12-N14 VanDerWaalsContact O-N 3.12Å; K12-N47 PolarHBondContact O-ND2 3.06Å
13	I	90.9	Very high	88.3	Confident	55 Å²	55	82.5 Å²	82.5	28%	0.282	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-55.3	120.3	171.3	-54	-171.7	0	0	0	108.7	A28 D30 Q37 Y39	I13-A28 HydrophobicContact CB-CB 4.28Å; I13-A28 HydrophobicContact CD1-CB 4.25Å; I13-A28 HydrophobicContact CG1-CB 3.75Å; I13-A28 HydrophobicContact CG2-CB 4.14Å; I13-D30 HydrophobicContact CD1-CB 4.39Å; I13-Q37 HydrophobicContact CD1-CB 3.97Å; I13-Y39 HydrophobicContact CG2-CD1 3.76Å; I13-Y39 HydrophobicContact CG2-CD2 3.78Å; I13-Y39 HydrophobicContact CG2-CE1 4.28Å; I13-Y39 HydrophobicContact CG2-CE2 4.3Å; I13-Y39 HydrophobicContact CG2-CG 3.48Å; I13-Y39 VanDerWaalsContact CG2-CG 3.48Å
14	N	94.7	Very high	88.9	Confident	53 Å²	53	76.7 Å²	76.7	28%	0.283	41%	0.411	S	S	.	.			trans	-116.3	101.2	178.5	-176.2	2.4	0	0	0	109.8	K12 G16 Y39 S45 N47	K12-N14 PolarHBondContact O-N 3.46Å; K12-N14 VanDerWaalsContact O-N 3.12Å; N14-G16 PolarHBondContact O-N 3.34Å; N14-G16 VanDerWaalsContact O-N 3.15Å; N14-G16 WeakPolarHBondContact OD1-CA 3.33Å; N14-G16 PolarHBondContact OD1-N 2.73Å; N14-Y39 WeakPolarHBondContact O-CE2 3.32Å; N14-S45 PolarHBondContact ND2-O 2.04Å; N14-N47 HydrophobicContact CB-CB 4.24Å; N14-N47 WeakPolarHBondContact CB-ND2 3.4Å
15	P	91.4	Very high	88.8	Confident	57 Å²	57	80.1 Å²	80.1	37%	0.37	42%	0.419	S	S	.	.			trans	-56.1	-23	171.8	-26.3	36.6	0	0	0	113.6	Y39 Y41 Q42	P15-Y39 HydrophobicContact CG-CD2 4.47Å; P15-Y41 VanDerWaalsContact O-CD2 3.23Å; P15-Y41 WeakPolarHBondContact O-CD2 3.09Å; P15-Q42 HydrophobicContact CB-CG 4.06Å; P15-Q42 WeakPolarHBondContact O-CB 3.24Å; P15-Q42 WeakPolarHBondContact O-CG 3.4Å; P15-Q42 PolarHBondContact O-N 3.21Å
16	G	92.8	Very high	88.9	Confident	18 Å²	18	81.7 Å²	81.7	19%	0.186	42%	0.423	C	S	.	.			trans	76.3	-160.9	-173.7	0	0	0	0	0	112.6	N14 C44 S45	N14-G16 PolarHBondContact O-N 3.34Å; N14-G16 VanDerWaalsContact O-N 3.15Å; N14-G16 WeakPolarHBondContact OD1-CA 3.33Å; N14-G16 PolarHBondContact OD1-N 2.73Å; G16-C44 CarbonylContact C-O 3.55Å; G16-C44 WeakPolarHBondContact CA-O 3.16Å; G16-S45 WeakPolarHBondContact CA-O 3.47Å
17	I	93.5	Very high	89.1	Confident	100 Å²	100	79.7 Å²	79.7	51%	0.513	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	153.9	176.5	68.2	177.7	0	0	0	110.6	Q42 C44	I17-Q42 VanDerWaalsContact C-CB 3.41Å; I17-Q42 CarbonylContact O-C 3.59Å; I17-Q42 WeakPolarHBondContact O-CB 3.45Å; I17-C44 HydrophobicContact CG1-CB 3.92Å; I17-C44 PolarHBondContact N-O 2.03Å; I17-C44 PolarHBondContact O-N 2.9Å; I17-C44 VanDerWaalsContact O-N 3.15Å
18	R	92.4	Very high	89.1	Confident	205 Å²	205	75.5 Å²	75.5	77%	0.774	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.5	173	-168.6	172.4	-178.3	155.7	-0.5	109.9	Q42	R18-Q42 WeakPolarHBondContact CA-O 3.38Å
19	C	92.5	Very high	88.7	Confident	40 Å²	40	74.4 Å²	74.4	27%	0.27	38%	0.382	S	S	.	.			trans	-144.4	-168.8	176.6	63.5	0	0	0	0	109.6	A21 C44	C19-A21 PolarHBondContact O-N 3.12Å; C19-C44 HydrophobicContact CB-CB 3.74Å; C19-C44 WeakPolarHBondContact CB-SG 3.48Å; C19-C44 WeakPolarHBondContact SG-CB 3.39Å; C19-C44 PolarHBondContact SG-N 3.32Å; C19-C44 VanDerWaalsContact SG-N 3.38Å; C19-C44 CovalentContact SG-SG 2.03Å; C19-C44 PolarHBondContact SG-SG 3.49Å
20	D	94	Very high	88.2	Confident	176 Å²	176	75.1 Å²	75.1	94%	0.941	39%	0.386	S	S	*	.	S	Bend	trans	-67.6	-14.8	-179.3	-59.2	-33.2	0	0	0	113.5
21	A	91.1	Very high	87.6	Confident	42 Å²	42	76 Å²	76	35%	0.347	39%	0.388	S	S	.	.	S	Bend	trans	-73	145	174	0	0	0	0	0	111.6	C19	C19-A21 PolarHBondContact O-N 3.12Å
22	P	87	Confident	86.5	Confident	100 Å²	100	83 Å²	83	65%	0.649	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-65.5	147	179.9	26.9	-34.4	0	0	0	112.1	T24	P22-T24 PolarHBondContact O-N 3.4Å
23	I	85.4	Confident	85	Confident	86 Å²	86	77.6 Å²	77.6	44%	0.441	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-65.4	127.4	169	-59.7	176.9	0	0	0	107.9	Y41	I23-Y41 WeakPolarHBondContact CA-O 3.48Å; I23-Y41 WeakPolarHBondContact CG2-O 3.15Å
24	T	77.4	Confident	83.8	Confident	44 Å²	44	75.3 Å²	75.3	27%	0.27	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.6	179.5	57.1	0	0	0	0	110.9	P22 R26 Y41	P22-T24 PolarHBondContact O-N 3.4Å; T24-R26 PolarHBondContact OG1-NE 2.86Å; T24-Y41 PolarHBondContact N-O 2.78Å; T24-Y41 PolarHBondContact O-N 3.03Å
25	F	79.3	Confident	82.6	Confident	157 Å²	157	73.1 Å²	73.1	69%	0.689	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	131.4	168.7	-77.9	-79.2	0	0	0	109.8
26	R	83.3	Confident	81.8	Confident	60 Å²	60	70.5 Å²	70.5	23%	0.226	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	168.9	178.3	-62.1	-66.2	-178.9	103.7	-3.9	109.5	T24 P38 Y39 Y41 F51	T24-R26 PolarHBondContact OG1-NE 2.86Å; R26-P38 CarbonylContact O-C 3.59Å; R26-P38 WeakPolarHBondContact O-CA 3.2Å; R26-Y39 HydrophobicContact CB-CD1 4.08Å; R26-Y39 HydrophobicContact CB-CE1 3.46Å; R26-Y39 VanDerWaalsContact CB-CE1 3.46Å; R26-Y39 HydrophobicContact CB-CE2 4.48Å; R26-Y39 PolarHBondContact N-O 3.34Å; R26-Y39 PolarHBondContact O-N 3.33Å; R26-Y41 HydrophobicContact CG-CD1 4.46Å; R26-Y41 HydrophobicContact CG-CG 4.17Å; R26-F51 CarbonylContact C-O 3.25Å; R26-F51 WeakPolarHBondContact CA-O 3.02Å
27	Y	83.5	Confident	81.1	Confident	49 Å²	49	71.4 Å²	71.4	19%	0.192	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.7	172.7	-66.2	-91.4	0	0	0	109.5	Q37 P38 S50 F51 S53 V54 P115	Y27-Q37 WeakPolarHBondContact CA-O 3.43Å; Y27-P38 HydrophobicContact CD1-CB 4.16Å; Y27-P38 HydrophobicContact CE1-CB 3.8Å; Y27-S50 WeakPolarHBondContact O-CA 3.44Å; Y27-F51 PolarHBondContact N-O 3.19Å; Y27-F51 WeakPolarHBondContact O-CD2 3.04Å; Y27-F51 PolarHBondContact O-N 3.03Å; Y27-S53 VanDerWaalsContact CD2-C 3.4Å; Y27-V54 HydrophobicContact CD1-CB 3.94Å; Y27-V54 HydrophobicContact CD1-CG2 4.37Å; Y27-V54 VanDerWaalsContact CD2-N 3.33Å; Y27-V54 HydrophobicContact CE1-CB 3.99Å; Y27-V54 HydrophobicContact CG-CB 4.27Å; Y27-P115 HydrophobicContact CD1-CG 4.42Å; Y27-P115 HydrophobicContact CE1-CB 3.86Å; Y27-P115 HydrophobicContact CE1-CG 3.9Å
28	A	86.1	Confident	80.4	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.9	175	0	0	0	0	0	108.9	I13 D30 C36 Q37 Y39 N49	I13-A28 HydrophobicContact CB-CB 4.28Å; I13-A28 HydrophobicContact CD1-CB 4.25Å; I13-A28 HydrophobicContact CG1-CB 3.75Å; I13-A28 HydrophobicContact CG2-CB 4.14Å; A28-D30 PolarHBondContact O-N 2.84Å; A28-C36 CarbonylContact O-C 3.42Å; A28-C36 WeakPolarHBondContact O-CA 3.28Å; A28-Q37 PolarHBondContact N-O 3.38Å; A28-Q37 PolarHBondContact O-N 2.9Å; A28-Y39 HydrophobicContact CB-CD1 3.84Å; A28-Y39 HydrophobicContact CB-CE1 3.66Å; A28-N49 WeakPolarHBondContact CB-O 3.19Å
29	F	83.7	Confident	79.9	Confident	4 Å²	4	61 Å²	61	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.2	176.7	-175.9	-101.2	0	0	0	110.4	C9 V31 N49 C61 L62 H65 H75	C9-F29 HydrophobicContact CB-CB 4.49Å; C9-F29 HydrophobicContact CB-CD1 3.95Å; C9-F29 HydrophobicContact CB-CG 4.42Å; C9-F29 WeakPolarHBondContact O-CD1 3.5Å; F29-V31 HydrophobicContact CD1-CG2 4.2Å; F29-V31 HydrophobicContact CE1-CG2 4.12Å; F29-N49 PolarHBondContact N-ND2 3.33Å; F29-N49 PolarHBondContact N-OD1 2.93Å; F29-N49 PolarHBondContact O-ND2 2.91Å; F29-C61 HydrophobicContact CB-CB 3.77Å; F29-C61 VanDerWaalsContact CB-SG 3.53Å; F29-C61 HydrophobicContact CD1-CB 4.21Å; F29-C61 HydrophobicContact CD2-CB 3.68Å; F29-C61 HydrophobicContact CE2-CB 4.28Å; F29-C61 HydrophobicContact CG-CB 3.61Å; F29-L62 HydrophobicContact CD2-CD2 4.23Å; F29-L62 HydrophobicContact CE2-CD2 3.52Å; F29-L62 HydrophobicContact CZ-CD2 4.39Å; F29-H65 AromaticContact CE1-CD2 3.64Å; F29-H65 AromaticContact CE1-NE2 3.57Å; F29-H65 AromaticContact CZ-CD2 3.67Å; F29-H75 AromaticContact CE2-CE1 3.78Å; F29-H75 AromaticContact CE2-NE2 3.05Å; F29-H75 WeakPolarHBondContact CE2-NE2 3.48Å; F29-H75 AromaticContact CZ-CD2 3.72Å; F29-H75 AromaticContact CZ-NE2 2.98Å; F29-H75 WeakPolarHBondContact CZ-NE2 3.27Å
30	D	77.8	Confident	79.5	Confident	16 Å²	16	61.4 Å²	61.4	9%	0.086	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	108.9	173.4	-170.6	-18.2	0	0	0	109.4	I13 A28 R32 H33 G34 S35 Q37	I13-D30 HydrophobicContact CD1-CB 4.39Å; A28-D30 PolarHBondContact O-N 2.84Å; D30-R32 PolarHBondContact O-N 3.33Å; D30-R32 VanDerWaalsContact OD1-CB 3.31Å; D30-R32 WeakPolarHBondContact OD1-CB 3.38Å; D30-R32 PolarHBondContact OD1-N 3.49Å; D30-R32 IonicContact OD1-NE 3.67Å; D30-R32 PolarHBondContact OD1-NE 3.18Å; D30-R32 IonicContact OD2-CZ 3.86Å; D30-R32 IonicContact OD2-NE 4Å; D30-R32 IonicContact OD2-NH2 3.13Å; D30-R32 PolarHBondContact OD2-NH2 3.48Å; D30-R32 VanDerWaalsContact OD2-NH2 3.13Å; D30-H33 HydrophobicContact CB-CB 4.26Å; D30-H33 VanDerWaalsContact CG-ND1 3.33Å; D30-H33 CarbonylContact O-C 3.59Å; D30-H33 PolarHBondContact O-N 2.54Å; D30-H33 VanDerWaalsContact O-N 3.13Å; D30-H33 IonicContact OD1-ND1 2.78Å; D30-H33 IonicContact OD2-CE1 3.46Å; D30-H33 PolarHBondContact OD2-CE1 3.23Å; D30-H33 IonicContact OD2-CG 3.94Å; D30-H33 IonicContact OD2-ND1 3.35Å; D30-H33 PolarHBondContact OD2-ND1 3.16Å; D30-G34 PolarHBondContact O-N 2.98Å; D30-S35 PolarHBondContact N-O 2.75Å; D30-S35 PolarHBondContact O-N 3.17Å; D30-Q37 HydrophobicContact CB-CG 3.71Å
31	V	78	Confident	79.1	Confident	87 Å²	87	54.6 Å²	54.6	53%	0.527	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.9	178.1	-178.1	0	0	0	0	112	F29	F29-V31 HydrophobicContact CD1-CG2 4.2Å; F29-V31 HydrophobicContact CE1-CG2 4.12Å
32	R	67.9	Low	79.1	Confident	206 Å²	206	55 Å²	55	78%	0.777	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-35.8	-179.6	-60.1	176.5	-63	168.9	6.5	112.2	D30	D30-R32 PolarHBondContact O-N 3.33Å; D30-R32 VanDerWaalsContact OD1-CB 3.31Å; D30-R32 WeakPolarHBondContact OD1-CB 3.38Å; D30-R32 PolarHBondContact OD1-N 3.49Å; D30-R32 IonicContact OD1-NE 3.67Å; D30-R32 PolarHBondContact OD1-NE 3.18Å; D30-R32 IonicContact OD2-CZ 3.86Å; D30-R32 IonicContact OD2-NE 4Å; D30-R32 IonicContact OD2-NH2 3.13Å; D30-R32 PolarHBondContact OD2-NH2 3.48Å; D30-R32 VanDerWaalsContact OD2-NH2 3.13Å
33	H	62.4	Low	79.2	Confident	74 Å²	74	50.8 Å²	50.8	34%	0.343	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.4	179.5	-65.5	108.1	0	0	0	112.9	D30 S35 Y113	D30-H33 HydrophobicContact CB-CB 4.26Å; D30-H33 VanDerWaalsContact CG-ND1 3.33Å; D30-H33 CarbonylContact O-C 3.59Å; D30-H33 PolarHBondContact O-N 2.54Å; D30-H33 VanDerWaalsContact O-N 3.13Å; D30-H33 IonicContact OD1-ND1 2.78Å; D30-H33 IonicContact OD2-CE1 3.46Å; D30-H33 PolarHBondContact OD2-CE1 3.23Å; D30-H33 IonicContact OD2-CG 3.94Å; D30-H33 IonicContact OD2-ND1 3.35Å; D30-H33 PolarHBondContact OD2-ND1 3.16Å; H33-S35 VanDerWaalsContact C-N 3.27Å; H33-S35 WeakPolarHBondContact CB-OG 3.44Å; H33-S35 PolarHBondContact O-N 2.94Å; H33-S35 PolarHBondContact O-OG 3.16Å; H33-S35 VanDerWaalsContact O-OG 3.09Å; H33-Y113 HydrophobicContact CB-CD1 4.48Å; H33-Y113 HydrophobicContact CB-CG 4.49Å; H33-Y113 AromaticContact CD2-CD1 3.52Å; H33-Y113 AromaticContact CD2-CE1 3.6Å
34	G	66.5	Low	79.5	Confident	7 Å²	7	48.6 Å²	48.6	7%	0.072	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	48.6	-172.7	0	0	0	0	0	111.6	D30 H75	D30-G34 PolarHBondContact O-N 2.98Å; G34-H75 VanDerWaalsContact CA-CD2 3.44Å; G34-H75 WeakPolarHBondContact CA-CD2 3.21Å; G34-H75 WeakPolarHBondContact CA-NE2 3.29Å; G34-H75 PolarHBondContact O-CE1 3.34Å; G34-H75 PolarHBondContact O-ND1 3.43Å; G34-H75 PolarHBondContact O-NE2 2.84Å
35	S	68.3	Low	80.2	Confident	8 Å²	8	50.2 Å²	50.2	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	157.6	-176.7	46.6	0	0	0	0	112.3	D30 H33 Q37 Y113	D30-S35 PolarHBondContact N-O 2.75Å; D30-S35 PolarHBondContact O-N 3.17Å; H33-S35 VanDerWaalsContact C-N 3.27Å; H33-S35 WeakPolarHBondContact CB-OG 3.44Å; H33-S35 PolarHBondContact O-N 2.94Å; H33-S35 PolarHBondContact O-OG 3.16Å; H33-S35 VanDerWaalsContact O-OG 3.09Å; S35-Q37 PolarHBondContact O-N 2.99Å; S35-Q37 PolarHBondContact OG-NE2 2.92Å; S35-Y113 WeakPolarHBondContact OG-CB 3.3Å
36	C	75.5	Confident	80.7	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	111.6	173.7	-69.1	0	0	0	0	110.4	A28 V54 C57 E58	A28-C36 CarbonylContact O-C 3.42Å; A28-C36 WeakPolarHBondContact O-CA 3.28Å; C36-V54 HydrophobicContact CB-CG2 3.87Å; C36-C57 HydrophobicContact CB-CB 3.68Å; C36-C57 WeakPolarHBondContact CB-SG 2.9Å; C36-C57 WeakPolarHBondContact SG-CB 3.46Å; C36-C57 CovalentContact SG-SG 2.02Å; C36-C57 PolarHBondContact SG-SG 3.47Å; C36-E58 HydrophobicContact CB-CG 4.18Å; C36-E58 PolarHBondContact SG-N 3.46Å; C36-E58 VanDerWaalsContact SG-N 3.4Å
37	Q	78	Confident	81.3	Confident	37 Å²	37	43.3 Å²	43.3	17%	0.173	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.9	-178.8	-63.1	-63.3	-30.4	0	0	110.5	I13 Y27 A28 D30 S35	I13-Q37 HydrophobicContact CD1-CB 3.97Å; Y27-Q37 WeakPolarHBondContact CA-O 3.43Å; A28-Q37 PolarHBondContact N-O 3.38Å; A28-Q37 PolarHBondContact O-N 2.9Å; D30-Q37 HydrophobicContact CB-CG 3.71Å; S35-Q37 PolarHBondContact O-N 2.99Å; S35-Q37 PolarHBondContact OG-NE2 2.92Å
38	P	78.6	Confident	81.8	Confident	67 Å²	67	44.5 Å²	44.5	44%	0.435	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	144.3	172.6	30.1	-33	0	0	0	110.9	R26 Y27	R26-P38 CarbonylContact O-C 3.59Å; R26-P38 WeakPolarHBondContact O-CA 3.2Å; Y27-P38 HydrophobicContact CD1-CB 4.16Å; Y27-P38 HydrophobicContact CE1-CB 3.8Å
39	Y	81.2	Confident	82.2	Confident	19 Å²	19	44.5 Å²	44.5	8%	0.075	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.9	171.9	79.6	-78.9	0	0	0	112.2	I13 N14 P15 R26 A28 Y41 S50	I13-Y39 HydrophobicContact CG2-CD1 3.76Å; I13-Y39 HydrophobicContact CG2-CD2 3.78Å; I13-Y39 HydrophobicContact CG2-CE1 4.28Å; I13-Y39 HydrophobicContact CG2-CE2 4.3Å; I13-Y39 HydrophobicContact CG2-CG 3.48Å; I13-Y39 VanDerWaalsContact CG2-CG 3.48Å; N14-Y39 WeakPolarHBondContact O-CE2 3.32Å; P15-Y39 HydrophobicContact CG-CD2 4.47Å; R26-Y39 HydrophobicContact CB-CD1 4.08Å; R26-Y39 HydrophobicContact CB-CE1 3.46Å; R26-Y39 VanDerWaalsContact CB-CE1 3.46Å; R26-Y39 HydrophobicContact CB-CE2 4.48Å; R26-Y39 PolarHBondContact N-O 3.34Å; R26-Y39 PolarHBondContact O-N 3.33Å; A28-Y39 HydrophobicContact CB-CD1 3.84Å; A28-Y39 HydrophobicContact CB-CE1 3.66Å; Y39-Y41 HydrophobicContact CE2-CD2 4.28Å; Y39-S50 VanDerWaalsContact OH-CB 3.25Å; Y39-S50 WeakPolarHBondContact OH-CB 3.29Å; Y39-S50 PolarHBondContact OH-OG 1.99Å
40	S	84.1	Confident	82.7	Confident	50 Å²	50	45.5 Å²	45.5	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	106.6	176.3	-55	0	0	0	0	110.8	Q42	S40-Q42 PolarHBondContact O-NE2 3.31Å; S40-Q42 VanDerWaalsContact O-NE2 3.12Å
41	Y	85.8	Confident	83.2	Confident	32 Å²	32	45.8 Å²	45.8	13%	0.125	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.9	174.8	178.2	-117.3	0	0	0	110.4	P15 I23 T24 R26 Y39 G43 C44	P15-Y41 VanDerWaalsContact O-CD2 3.23Å; P15-Y41 WeakPolarHBondContact O-CD2 3.09Å; I23-Y41 WeakPolarHBondContact CA-O 3.48Å; I23-Y41 WeakPolarHBondContact CG2-O 3.15Å; T24-Y41 PolarHBondContact N-O 2.78Å; T24-Y41 PolarHBondContact O-N 3.03Å; R26-Y41 HydrophobicContact CG-CD1 4.46Å; R26-Y41 HydrophobicContact CG-CG 4.17Å; Y39-Y41 HydrophobicContact CE2-CD2 4.28Å; Y41-G43 WeakPolarHBondContact CE1-O 3.14Å; Y41-G43 VanDerWaalsContact CZ-C 3.43Å; Y41-G43 PolarHBondContact O-N 3.36Å; Y41-G43 PolarHBondContact OH-O 3.14Å; Y41-C44 WeakPolarHBondContact OH-CA 3.41Å; Y41-C44 PolarHBondContact OH-N 2.97Å
42	Q	92.1	Very high	83.4	Confident	51 Å²	51	47.1 Å²	47.1	24%	0.238	26%	0.262	C	S	.	.			trans	-76.9	-4.8	-169.7	-59	-58.1	-51.8	0	0	114.3	P15 I17 R18 S40	P15-Q42 HydrophobicContact CB-CG 4.06Å; P15-Q42 WeakPolarHBondContact O-CB 3.24Å; P15-Q42 WeakPolarHBondContact O-CG 3.4Å; P15-Q42 PolarHBondContact O-N 3.21Å; I17-Q42 VanDerWaalsContact C-CB 3.41Å; I17-Q42 CarbonylContact O-C 3.59Å; I17-Q42 WeakPolarHBondContact O-CB 3.45Å; R18-Q42 WeakPolarHBondContact CA-O 3.38Å; S40-Q42 PolarHBondContact O-NE2 3.31Å; S40-Q42 VanDerWaalsContact O-NE2 3.12Å
43	G	87.5	Confident	83.6	Confident	11 Å²	11	39.2 Å²	39.2	11%	0.113	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.4	-40.3	173.3	0	0	0	0	0	113.7	Y41	Y41-G43 WeakPolarHBondContact CE1-O 3.14Å; Y41-G43 VanDerWaalsContact CZ-C 3.43Å; Y41-G43 PolarHBondContact O-N 3.36Å; Y41-G43 PolarHBondContact OH-O 3.14Å
44	C	93.3	Very high	84.1	Confident	41 Å²	41	36.3 Å²	36.3	28%	0.277	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	164.7	-177	-68.1	0	0	0	0	113.2	G16 I17 C19 Y41 G46	G16-C44 CarbonylContact C-O 3.55Å; G16-C44 WeakPolarHBondContact CA-O 3.16Å; I17-C44 HydrophobicContact CG1-CB 3.92Å; I17-C44 PolarHBondContact N-O 2.03Å; I17-C44 PolarHBondContact O-N 2.9Å; I17-C44 VanDerWaalsContact O-N 3.15Å; C19-C44 HydrophobicContact CB-CB 3.74Å; C19-C44 WeakPolarHBondContact CB-SG 3.48Å; C19-C44 WeakPolarHBondContact SG-CB 3.39Å; C19-C44 PolarHBondContact SG-N 3.32Å; C19-C44 VanDerWaalsContact SG-N 3.38Å; C19-C44 CovalentContact SG-SG 2.03Å; C19-C44 PolarHBondContact SG-SG 3.49Å; Y41-C44 WeakPolarHBondContact OH-CA 3.41Å; Y41-C44 PolarHBondContact OH-N 2.97Å; C44-G46 VanDerWaalsContact C-N 3.31Å; C44-G46 PolarHBondContact O-N 3.07Å
45	S	91.7	Very high	84.1	Confident	77 Å²	77	38.2 Å²	38.2	54%	0.538	24%	0.241	S	C	.	.	S	Bend	trans	57.4	32.1	169.1	-50.2	0	0	0	0	116.5	N14 G16	N14-S45 PolarHBondContact ND2-O 2.04Å; G16-S45 WeakPolarHBondContact CA-O 3.47Å
46	G	89.8	Confident	84.7	Confident	30 Å²	30	42.4 Å²	42.4	31%	0.309	26%	0.26	S	S	.	.			trans	-71.9	-163.4	169.8	0	0	0	0	0	113	C44	C44-G46 VanDerWaalsContact C-N 3.31Å; C44-G46 PolarHBondContact O-N 3.07Å
47	N	94.8	Very high	85.1	Confident	43 Å²	43	42.3 Å²	42.3	23%	0.23	26%	0.259	C	S	.	.			trans	-129.5	-179.7	169.9	65.2	16.1	0	0	0	110.9	K12 N14 N49 S50	K12-N47 PolarHBondContact O-ND2 3.06Å; N14-N47 HydrophobicContact CB-CB 4.24Å; N14-N47 WeakPolarHBondContact CB-ND2 3.4Å; N47-N49 PolarHBondContact O-N 2.95Å; N47-N49 PolarHBondContact OD1-N 3.01Å; N47-S50 WeakPolarHBondContact O-CB 3.44Å
48	S	95.2	Very high	85.2	Confident	74 Å²	74	41.7 Å²	41.7	52%	0.517	26%	0.256	S	S	.	.	S	Bend	trans	-72.5	-16.9	-175.5	-57	0	0	0	0	113.3	I8 Q11 S50	I8-S48 WeakPolarHBondContact CG2-O 3.34Å; Q11-S48 VanDerWaalsContact OE1-N 3.14Å; S48-S50 PolarHBondContact O-N 3.28Å
49	N	94.1	Very high	85.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-77.4	60	170.7	-165.8	6.5	0	0	0	110.5	I8 Q11 A28 F29 N47 F51	I8-N49 WeakPolarHBondContact O-CB 3.35Å; Q11-N49 HydrophobicContact CB-CB 4.04Å; Q11-N49 PolarHBondContact O-ND2 2.72Å; A28-N49 WeakPolarHBondContact CB-O 3.19Å; F29-N49 PolarHBondContact N-ND2 3.33Å; F29-N49 PolarHBondContact N-OD1 2.93Å; F29-N49 PolarHBondContact O-ND2 2.91Å; N47-N49 PolarHBondContact O-N 2.95Å; N47-N49 PolarHBondContact OD1-N 3.01Å; N49-F51 WeakPolarHBondContact OD1-CE2 2.96Å
50	S	93.7	Very high	85.4	Confident	24 Å²	24	44 Å²	44	17%	0.168	27%	0.269	C	S	.	.			trans	-146.7	111.2	-176	-172	0	0	0	0	109.8	Y27 Y39 N47 S48	Y27-S50 WeakPolarHBondContact O-CA 3.44Å; Y39-S50 VanDerWaalsContact OH-CB 3.25Å; Y39-S50 WeakPolarHBondContact OH-CB 3.29Å; Y39-S50 PolarHBondContact OH-OG 1.99Å; N47-S50 WeakPolarHBondContact O-CB 3.44Å; S48-S50 PolarHBondContact O-N 3.28Å
51	F	89.7	Confident	85.4	Confident	22 Å²	22	41.7 Å²	41.7	10%	0.096	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-121.7	149	-174.8	-53	-85.7	0	0	0	110.5	R26 Y27 N49 S53 Q56 C57 F60	R26-F51 CarbonylContact C-O 3.25Å; R26-F51 WeakPolarHBondContact CA-O 3.02Å; Y27-F51 PolarHBondContact N-O 3.19Å; Y27-F51 WeakPolarHBondContact O-CD2 3.04Å; Y27-F51 PolarHBondContact O-N 3.03Å; N49-F51 WeakPolarHBondContact OD1-CE2 2.96Å; F51-S53 VanDerWaalsContact C-N 3.35Å; F51-Q56 HydrophobicContact CB-CB 4.11Å; F51-Q56 HydrophobicContact CD1-CB 4.34Å; F51-C57 HydrophobicContact CB-CB 3.76Å; F51-C57 HydrophobicContact CD1-CB 4.48Å; F51-C57 VanDerWaalsContact CD2-CA 3.45Å; F51-C57 HydrophobicContact CD2-CB 3.31Å; F51-C57 VanDerWaalsContact CD2-SG 3.55Å; F51-C57 HydrophobicContact CE2-CB 4Å; F51-C57 VanDerWaalsContact CG-CA 3.42Å; F51-C57 HydrophobicContact CG-CB 3.6Å; F51-F60 HydrophobicContact CD1-CB 4.45Å; F51-F60 HydrophobicContact CE1-CB 3.6Å; F51-F60 AromaticContact CE1-CD1 3.71Å; F51-F60 HydrophobicContact CE1-CD1 3.71Å; F51-F60 HydrophobicContact CE1-CD2 4.39Å; F51-F60 HydrophobicContact CE1-CE1 4.5Å; F51-F60 AromaticContact CE1-CG 3.64Å; F51-F60 HydrophobicContact CE1-CG 3.64Å; F51-F60 HydrophobicContact CZ-CB 3.92Å; F51-F60 AromaticContact CZ-CD1 3.47Å; F51-F60 HydrophobicContact CZ-CD1 3.47Å; F51-F60 VanDerWaalsContact CZ-CD1 3.47Å; F51-F60 HydrophobicContact CZ-CE1 4.22Å; F51-F60 AromaticContact CZ-CG 3.88Å; F51-F60 HydrophobicContact CZ-CG 3.88Å
52	L	80.5	Confident	84.8	Confident	115 Å²	115	41.6 Å²	41.6	60%	0.602	25%	0.254	S	S	*	.	S	Bend	trans	-76.2	-25.8	-178	-68.2	166.3	0	0	0	112.5
53	S	72.6	Confident	83.6	Confident	41 Å²	41	43.7 Å²	43.7	29%	0.287	26%	0.264	S	S	.	.	S	Bend	trans	-138.3	156.6	177.7	73.1	0	0	0	0	110.8	Y27 F51 A55 Q56 C57	Y27-S53 VanDerWaalsContact CD2-C 3.4Å; F51-S53 VanDerWaalsContact C-N 3.35Å; S53-A55 PolarHBondContact O-N 2.99Å; S53-Q56 PolarHBondContact O-N 3.12Å; S53-Q56 WeakPolarHBondContact OG-CG 3.17Å; S53-Q56 PolarHBondContact OG-N 3.18Å; S53-C57 PolarHBondContact O-N 2.85Å; S53-C57 VanDerWaalsContact O-N 3.14Å
54	V	73.7	Confident	82.1	Confident	12 Å²	12	44 Å²	44	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-57.6	-41.3	172.5	66.9	0	0	0	0	111.5	Y27 C36 Q56 C57 E58 P115 S118	Y27-V54 HydrophobicContact CD1-CB 3.94Å; Y27-V54 HydrophobicContact CD1-CG2 4.37Å; Y27-V54 VanDerWaalsContact CD2-N 3.33Å; Y27-V54 HydrophobicContact CE1-CB 3.99Å; Y27-V54 HydrophobicContact CG-CB 4.27Å; C36-V54 HydrophobicContact CB-CG2 3.87Å; V54-Q56 VanDerWaalsContact C-N 3.25Å; V54-Q56 PolarHBondContact O-N 3.22Å; V54-C57 WeakPolarHBondContact O-CB 3.01Å; V54-C57 PolarHBondContact O-N 2.89Å; V54-C57 VanDerWaalsContact O-N 3.09Å; V54-E58 HydrophobicContact CG2-CG 3.78Å; V54-E58 WeakPolarHBondContact O-CB 3.32Å; V54-E58 VanDerWaalsContact O-CG 3.32Å; V54-E58 WeakPolarHBondContact O-CG 3.03Å; V54-E58 PolarHBondContact O-N 3.44Å; V54-P115 HydrophobicContact CB-CB 4.41Å; V54-P115 HydrophobicContact CB-CG 3.32Å; V54-P115 HydrophobicContact CG1-CG 3.69Å; V54-P115 HydrophobicContact CG2-CB 4.43Å; V54-P115 VanDerWaalsContact CG2-CD 3.49Å; V54-P115 HydrophobicContact CG2-CG 3.02Å; V54-S118 VanDerWaalsContact CG1-OG 3.31Å; V54-S118 WeakPolarHBondContact CG1-OG 3.33Å
55	A	66	Low	80.2	Confident	48 Å²	48	43.6 Å²	43.6	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-37.2	-178.4	0	0	0	0	0	112	S53 S59	S53-A55 PolarHBondContact O-N 2.99Å; A55-S59 WeakPolarHBondContact O-CB 3.4Å; A55-S59 PolarHBondContact O-N 2.52Å
56	Q	80.8	Confident	78.3	Confident	95 Å²	95	42.4 Å²	42.4	44%	0.444	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-48.3	173.7	-73.2	173.2	7.1	0	0	111.6	F51 S53 V54 E58 S59 F60	F51-Q56 HydrophobicContact CB-CB 4.11Å; F51-Q56 HydrophobicContact CD1-CB 4.34Å; S53-Q56 PolarHBondContact O-N 3.12Å; S53-Q56 WeakPolarHBondContact OG-CG 3.17Å; S53-Q56 PolarHBondContact OG-N 3.18Å; V54-Q56 VanDerWaalsContact C-N 3.25Å; V54-Q56 PolarHBondContact O-N 3.22Å; Q56-E58 VanDerWaalsContact C-N 3.33Å; Q56-E58 PolarHBondContact O-N 3.19Å; Q56-S59 PolarHBondContact O-N 3.19Å; Q56-F60 VanDerWaalsContact O-CB 3.29Å; Q56-F60 WeakPolarHBondContact O-CB 3.47Å; Q56-F60 PolarHBondContact O-N 2.99Å
57	C	84	Confident	76.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-47	177.3	177.7	0	0	0	0	111.6	C36 F51 S53 V54 F60 C61	C36-C57 HydrophobicContact CB-CB 3.68Å; C36-C57 WeakPolarHBondContact CB-SG 2.9Å; C36-C57 WeakPolarHBondContact SG-CB 3.46Å; C36-C57 CovalentContact SG-SG 2.02Å; C36-C57 PolarHBondContact SG-SG 3.47Å; F51-C57 HydrophobicContact CB-CB 3.76Å; F51-C57 HydrophobicContact CD1-CB 4.48Å; F51-C57 VanDerWaalsContact CD2-CA 3.45Å; F51-C57 HydrophobicContact CD2-CB 3.31Å; F51-C57 VanDerWaalsContact CD2-SG 3.55Å; F51-C57 HydrophobicContact CE2-CB 4Å; F51-C57 VanDerWaalsContact CG-CA 3.42Å; F51-C57 HydrophobicContact CG-CB 3.6Å; S53-C57 PolarHBondContact O-N 2.85Å; S53-C57 VanDerWaalsContact O-N 3.14Å; V54-C57 WeakPolarHBondContact O-CB 3.01Å; V54-C57 PolarHBondContact O-N 2.89Å; V54-C57 VanDerWaalsContact O-N 3.09Å; C57-F60 PolarHBondContact O-N 3.01Å; C57-C61 WeakPolarHBondContact O-CB 3.41Å; C57-C61 PolarHBondContact O-N 2.78Å
58	E	79.4	Confident	74.1	Confident	23 Å²	23	44.3 Å²	44.3	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-43.9	-177.7	-71.9	168.6	139.4	0	0	111.3	C36 V54 Q56 F60 L62 R94 S118	C36-E58 HydrophobicContact CB-CG 4.18Å; C36-E58 PolarHBondContact SG-N 3.46Å; C36-E58 VanDerWaalsContact SG-N 3.4Å; V54-E58 HydrophobicContact CG2-CG 3.78Å; V54-E58 WeakPolarHBondContact O-CB 3.32Å; V54-E58 VanDerWaalsContact O-CG 3.32Å; V54-E58 WeakPolarHBondContact O-CG 3.03Å; V54-E58 PolarHBondContact O-N 3.44Å; Q56-E58 VanDerWaalsContact C-N 3.33Å; Q56-E58 PolarHBondContact O-N 3.19Å; E58-F60 PolarHBondContact O-N 2.95Å; E58-L62 HydrophobicContact CB-CD1 3.7Å; E58-L62 HydrophobicContact CB-CG 4.09Å; E58-L62 HydrophobicContact CG-CD1 3.78Å; E58-L62 HydrophobicContact CG-CG 4.36Å; E58-L62 WeakPolarHBondContact O-CA 3.27Å; E58-L62 WeakPolarHBondContact O-CB 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.36Å; E58-L62 PolarHBondContact O-N 3.26Å; E58-R94 IonicContact OE1-NH2 3.39Å; E58-R94 PolarHBondContact OE1-NH2 3.48Å; E58-R94 IonicContact OE2-CZ 3.16Å; E58-R94 IonicContact OE2-NH1 3.38Å; E58-R94 PolarHBondContact OE2-NH1 2.77Å; E58-R94 IonicContact OE2-NH2 2.6Å; E58-R94 PolarHBondContact OE2-NH2 2.82Å; E58-S118 PolarHBondContact OE1-OG 2.95Å
59	S	78.9	Confident	72.1	Confident	68 Å²	68	47.4 Å²	47.4	48%	0.476	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-33.3	176.9	-171.1	0	0	0	0	112	A55 Q56 Q63	A55-S59 WeakPolarHBondContact O-CB 3.4Å; A55-S59 PolarHBondContact O-N 2.52Å; Q56-S59 PolarHBondContact O-N 3.19Å; S59-Q63 WeakPolarHBondContact O-CG 3.42Å
60	F	85.4	Confident	69.9	Low	68 Å²	68	54 Å²	54	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-80.6	-52.5	-179.9	-169	-92.9	0	0	0	111.8	I5 I8 F51 Q56 C57 E58	I5-F60 HydrophobicContact CB-CE1 4.28Å; I5-F60 HydrophobicContact CB-CZ 4.41Å; I5-F60 HydrophobicContact CG1-CE1 4.1Å; I5-F60 HydrophobicContact CG1-CE2 4.1Å; I5-F60 HydrophobicContact CG1-CZ 3.76Å; I5-F60 HydrophobicContact CG2-CD1 4.14Å; I5-F60 HydrophobicContact CG2-CE1 3.98Å; I5-F60 HydrophobicContact CG2-CZ 4.5Å; I5-F60 WeakPolarHBondContact CG2-O 3.23Å; I8-F60 HydrophobicContact CB-CE1 3.87Å; I8-F60 HydrophobicContact CB-CZ 4.45Å; I8-F60 HydrophobicContact CD1-CE1 3.97Å; I8-F60 HydrophobicContact CD1-CZ 3.67Å; I8-F60 HydrophobicContact CG2-CD1 4.41Å; I8-F60 HydrophobicContact CG2-CE1 3.64Å; I8-F60 HydrophobicContact CG2-CZ 4.4Å; F51-F60 HydrophobicContact CD1-CB 4.45Å; F51-F60 HydrophobicContact CE1-CB 3.6Å; F51-F60 AromaticContact CE1-CD1 3.71Å; F51-F60 HydrophobicContact CE1-CD1 3.71Å; F51-F60 HydrophobicContact CE1-CD2 4.39Å; F51-F60 HydrophobicContact CE1-CE1 4.5Å; F51-F60 AromaticContact CE1-CG 3.64Å; F51-F60 HydrophobicContact CE1-CG 3.64Å; F51-F60 HydrophobicContact CZ-CB 3.92Å; F51-F60 AromaticContact CZ-CD1 3.47Å; F51-F60 HydrophobicContact CZ-CD1 3.47Å; F51-F60 VanDerWaalsContact CZ-CD1 3.47Å; F51-F60 HydrophobicContact CZ-CE1 4.22Å; F51-F60 AromaticContact CZ-CG 3.88Å; F51-F60 HydrophobicContact CZ-CG 3.88Å; Q56-F60 VanDerWaalsContact O-CB 3.29Å; Q56-F60 WeakPolarHBondContact O-CB 3.47Å; Q56-F60 PolarHBondContact O-N 2.99Å; C57-F60 PolarHBondContact O-N 3.01Å; E58-F60 PolarHBondContact O-N 2.95Å
61	C	84.2	Confident	67.9	Low	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-86.9	-38.2	-171.9	-68.2	0	0	0	0	114.1	C9 F29 C57 Q63 H65	C9-C61 HydrophobicContact CB-CB 3.66Å; C9-C61 WeakPolarHBondContact CB-SG 3.33Å; C9-C61 WeakPolarHBondContact SG-CA 3.3Å; C9-C61 WeakPolarHBondContact SG-CB 3.46Å; C9-C61 CovalentContact SG-SG 2.03Å; C9-C61 PolarHBondContact SG-SG 3.37Å; F29-C61 HydrophobicContact CB-CB 3.77Å; F29-C61 VanDerWaalsContact CB-SG 3.53Å; F29-C61 HydrophobicContact CD1-CB 4.21Å; F29-C61 HydrophobicContact CD2-CB 3.68Å; F29-C61 HydrophobicContact CE2-CB 4.28Å; F29-C61 HydrophobicContact CG-CB 3.61Å; C57-C61 WeakPolarHBondContact O-CB 3.41Å; C57-C61 PolarHBondContact O-N 2.78Å; C61-Q63 PolarHBondContact O-N 2.78Å; C61-H65 PolarHBondContact O-CD2 2.85Å
62	L	74.4	Confident	66.2	Low	30 Å²	30	57.8 Å²	57.8	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-41.4	-177.7	-56.9	-175.7	0	0	0	110.8	F29 E58 V64 H65 L66 H75	F29-L62 HydrophobicContact CD2-CD2 4.23Å; F29-L62 HydrophobicContact CE2-CD2 3.52Å; F29-L62 HydrophobicContact CZ-CD2 4.39Å; E58-L62 HydrophobicContact CB-CD1 3.7Å; E58-L62 HydrophobicContact CB-CG 4.09Å; E58-L62 HydrophobicContact CG-CD1 3.78Å; E58-L62 HydrophobicContact CG-CG 4.36Å; E58-L62 WeakPolarHBondContact O-CA 3.27Å; E58-L62 WeakPolarHBondContact O-CB 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.36Å; E58-L62 PolarHBondContact O-N 3.26Å; L62-V64 PolarHBondContact O-N 3.34Å; L62-H65 PolarHBondContact O-N 3.16Å; L62-L66 WeakPolarHBondContact O-CG 3.24Å; L62-L66 PolarHBondContact O-N 2.87Å; L62-H75 WeakPolarHBondContact CD2-CE1 3.45Å
63	Q	64.9	Low	65	Low	95 Å²	95	56.3 Å²	56.3	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-60.5	-25.4	-172.1	-68.8	-158.4	0.5	0	0	115.1	S59 C61	S59-Q63 WeakPolarHBondContact O-CG 3.42Å; C61-Q63 PolarHBondContact O-N 2.78Å
64	V	56.9	Low	64.1	Low	17 Å²	17	59 Å²	59	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-95.6	-26.8	-179	166.4	0	0	0	0	113.7	E2 I5 K6 L62 L66 G67	E2-V64 HydrophobicContact CG-CB 4.34Å; E2-V64 HydrophobicContact CG-CG1 3.44Å; E2-V64 VanDerWaalsContact CG-CG1 3.44Å; E2-V64 HydrophobicContact CG-CG2 4.14Å; I5-V64 HydrophobicContact CB-CB 4Å; I5-V64 HydrophobicContact CB-CG1 4.07Å; I5-V64 HydrophobicContact CB-CG2 3.68Å; I5-V64 HydrophobicContact CD1-CG2 3.37Å; I5-V64 HydrophobicContact CG1-CG2 4.08Å; I5-V64 HydrophobicContact CG2-CB 3.48Å; I5-V64 VanDerWaalsContact CG2-CB 3.48Å; I5-V64 HydrophobicContact CG2-CG1 3.95Å; I5-V64 HydrophobicContact CG2-CG2 3.49Å; I5-V64 VanDerWaalsContact CG2-CG2 3.49Å; K6-V64 HydrophobicContact CD-CG1 4.24Å; K6-V64 HydrophobicContact CG-CG1 3.51Å; L62-V64 PolarHBondContact O-N 3.34Å; V64-L66 PolarHBondContact O-N 2.98Å; V64-G67 PolarHBondContact O-N 3.43Å
65	H	54.2	Low	63.3	Low	33 Å²	33	59.9 Å²	59.9	15%	0.153	33%	0.332	C	S	.	.	H	α-helix	trans	-70.7	-12.2	169.1	-68.4	-62.4	0	0	0	112.1	F29 C61 L62 G67	F29-H65 AromaticContact CE1-CD2 3.64Å; F29-H65 AromaticContact CE1-NE2 3.57Å; F29-H65 AromaticContact CZ-CD2 3.67Å; C61-H65 PolarHBondContact O-CD2 2.85Å; L62-H65 PolarHBondContact O-N 3.16Å; H65-G67 PolarHBondContact O-N 2.78Å
66	L	51.5	Low	63.2	Low	52 Å²	52	58 Å²	58	27%	0.272	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-1.4	174.4	-63.6	172.6	0	0	0	115.1	L62 V64 S68 L72 W87	L62-L66 WeakPolarHBondContact O-CG 3.24Å; L62-L66 PolarHBondContact O-N 2.87Å; V64-L66 PolarHBondContact O-N 2.98Å; L66-S68 PolarHBondContact O-N 2.81Å; L66-L72 VanDerWaalsContact CA-CD1 3.41Å; L66-L72 HydrophobicContact CB-CD1 3.72Å; L66-L72 HydrophobicContact CD2-CD1 3.31Å; L66-L72 HydrophobicContact CD2-CD2 3.92Å; L66-L72 HydrophobicContact CD2-CG 3.27Å; L66-L72 HydrophobicContact CG-CD1 4.08Å; L66-L72 HydrophobicContact CG-CG 4.49Å; L66-L72 VanDerWaalsContact O-CD1 3.23Å; L66-L72 WeakPolarHBondContact O-CD1 3.06Å; L66-W87 HydrophobicContact CD1-CH2 3.84Å; L66-W87 HydrophobicContact CD1-CZ2 4.36Å; L66-W87 HydrophobicContact CD2-CH2 3.36Å; L66-W87 HydrophobicContact CD2-CZ2 4.03Å; L66-W87 HydrophobicContact CD2-CZ3 4.22Å; L66-W87 HydrophobicContact CG-CH2 4.25Å
67	G	45.1	Very low	62.4	Low	62 Å²	62	56.4 Å²	56.4	64%	0.639	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.8	-176.7	0	0	0	0	0	116.3	V64 H65	V64-G67 PolarHBondContact O-N 3.43Å; H65-G67 PolarHBondContact O-N 2.78Å
68	S	50.7	Low	61.5	Low	52 Å²	52	57.8 Å²	57.8	36%	0.364	33%	0.329	S	S	.	.	S	Bend	trans	-141.5	128.4	170.6	53.7	0	0	0	0	109.6	L66 E70 H71 L72	L66-S68 PolarHBondContact O-N 2.81Å; S68-E70 PolarHBondContact O-N 2.81Å; S68-E70 VanDerWaalsContact O-N 3.12Å; S68-H71 PolarHBondContact O-N 3.31Å; S68-H71 WeakPolarHBondContact OG-CB 3.49Å; S68-L72 PolarHBondContact O-N 2.03Å
69	I	52.4	Low	61.2	Low	139 Å²	139	57.3 Å²	57.3	71%	0.713	33%	0.327	S	S	*	.	H	α-helix	trans	-54.4	-32.1	-177.6	-66.3	173	0	0	0	111.5	L72 L73	I69-L72 VanDerWaalsContact O-CB 3.3Å; I69-L72 WeakPolarHBondContact O-CB 3.5Å; I69-L72 PolarHBondContact O-N 3.2Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 3.23Å
70	E	49.9	Very low	60.8	Low	137 Å²	137	54.3 Å²	54.3	64%	0.64	31%	0.306	S	S	*	.	H	α-helix	trans	-68.2	-40.5	176.8	-67.6	-179.3	165.5	0	0	113	S68 L72 L73 V74	S68-E70 PolarHBondContact O-N 2.81Å; S68-E70 VanDerWaalsContact O-N 3.12Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 2.91Å; E70-L73 PolarHBondContact O-N 2.85Å; E70-V74 PolarHBondContact O-N 3.14Å
71	H	51	Low	60.2	Low	104 Å²	104	57 Å²	57	48%	0.481	32%	0.317	S	S	.	.	H	α-helix	trans	-70.3	-30.8	175.8	-108.7	146.1	0	0	0	112.6	S68 L73 V74 H75	S68-H71 PolarHBondContact O-N 3.31Å; S68-H71 WeakPolarHBondContact OG-CB 3.49Å; H71-L73 PolarHBondContact O-N 3.22Å; H71-V74 PolarHBondContact O-N 2.03Å; H71-H75 WeakPolarHBondContact O-CB 3.35Å; H71-H75 PolarHBondContact O-N 3.21Å
72	L	53.1	Low	59.9	Low	22 Å²	22	59.3 Å²	59.3	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-52.5	-48.3	171.8	-110.5	90.6	0	0	0	110.9	L66 S68 I69 E70 H75 M76 W87	L66-L72 VanDerWaalsContact CA-CD1 3.41Å; L66-L72 HydrophobicContact CB-CD1 3.72Å; L66-L72 HydrophobicContact CD2-CD1 3.31Å; L66-L72 HydrophobicContact CD2-CD2 3.92Å; L66-L72 HydrophobicContact CD2-CG 3.27Å; L66-L72 HydrophobicContact CG-CD1 4.08Å; L66-L72 HydrophobicContact CG-CG 4.49Å; L66-L72 VanDerWaalsContact O-CD1 3.23Å; L66-L72 WeakPolarHBondContact O-CD1 3.06Å; S68-L72 PolarHBondContact O-N 2.03Å; I69-L72 VanDerWaalsContact O-CB 3.3Å; I69-L72 WeakPolarHBondContact O-CB 3.5Å; I69-L72 PolarHBondContact O-N 3.2Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 2.91Å; L72-H75 PolarHBondContact O-N 3.05Å; L72-M76 HydrophobicContact CD2-CE 4.12Å; L72-M76 VanDerWaalsContact O-CB 3.25Å; L72-M76 WeakPolarHBondContact O-CB 3.45Å; L72-M76 WeakPolarHBondContact O-CG 3.36Å; L72-M76 PolarHBondContact O-N 3.39Å; L72-W87 HydrophobicContact CD2-CD2 4.3Å; L72-W87 HydrophobicContact CD2-CH2 3.71Å; L72-W87 HydrophobicContact CD2-CZ2 3.34Å; L72-W87 HydrophobicContact CD2-CZ3 4.26Å; L72-W87 HydrophobicContact CG-CH2 4.3Å; L72-W87 HydrophobicContact CG-CZ2 4.32Å
73	L	55	Low	60.2	Low	85 Å²	85	58.8 Å²	58.8	45%	0.445	33%	0.33	S	S	.	.	H	α-helix	trans	-70.3	-41.4	-172.3	-63.1	173.2	0	0	0	111.3	I69 E70 H71 H75 M76 S77 L84	I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 3.23Å; E70-L73 PolarHBondContact O-N 2.85Å; H71-L73 PolarHBondContact O-N 3.22Å; L73-H75 VanDerWaalsContact C-N 3.32Å; L73-H75 PolarHBondContact O-N 2.7Å; L73-M76 PolarHBondContact O-N 3.45Å; L73-S77 WeakPolarHBondContact O-CB 3.01Å; L73-S77 PolarHBondContact O-N 3.07Å; L73-L84 HydrophobicContact CD2-CD1 3.44Å; L73-L84 VanDerWaalsContact CD2-CD1 3.44Å
74	V	55	Low	61.1	Low	96 Å²	96	57.6 Å²	57.6	58%	0.582	33%	0.326	S	S	*	.	H	α-helix	trans	-62.8	-41.7	175.1	179.5	0	0	0	0	110.9	E70 H71 M76 S77	E70-V74 PolarHBondContact O-N 3.14Å; H71-V74 PolarHBondContact O-N 2.03Å; V74-M76 VanDerWaalsContact C-N 3.34Å; V74-M76 PolarHBondContact O-N 2.72Å; V74-S77 PolarHBondContact O-N 3.2Å; V74-S77 PolarHBondContact O-OG 2.94Å
75	H	55.5	Low	62.4	Low	32 Å²	32	57 Å²	57	15%	0.148	32%	0.322	C	S	.	.	H	α-helix	trans	-75.9	-24.9	-176.6	-165.6	-73	0	0	0	113.5	F29 G34 L62 H71 L72 L73	F29-H75 AromaticContact CE2-CE1 3.78Å; F29-H75 AromaticContact CE2-NE2 3.05Å; F29-H75 WeakPolarHBondContact CE2-NE2 3.48Å; F29-H75 AromaticContact CZ-CD2 3.72Å; F29-H75 AromaticContact CZ-NE2 2.98Å; F29-H75 WeakPolarHBondContact CZ-NE2 3.27Å; G34-H75 VanDerWaalsContact CA-CD2 3.44Å; G34-H75 WeakPolarHBondContact CA-CD2 3.21Å; G34-H75 WeakPolarHBondContact CA-NE2 3.29Å; G34-H75 PolarHBondContact O-CE1 3.34Å; G34-H75 PolarHBondContact O-ND1 3.43Å; G34-H75 PolarHBondContact O-NE2 2.84Å; L62-H75 WeakPolarHBondContact CD2-CE1 3.45Å; H71-H75 WeakPolarHBondContact O-CB 3.35Å; H71-H75 PolarHBondContact O-N 3.21Å; L72-H75 PolarHBondContact O-N 3.05Å; L73-H75 VanDerWaalsContact C-N 3.32Å; L73-H75 PolarHBondContact O-N 2.7Å
76	M	65	Low	63.8	Low	9 Å²	9	58.1 Å²	58.1	4%	0.044	33%	0.327	C	S	.	.	H	α-helix	trans	-88.7	-22.4	175.8	-73.6	-144.9	-77.9	0	0	112.9	L72 L73 V74 G78 L79 L84 P85 W87 I92	L72-M76 HydrophobicContact CD2-CE 4.12Å; L72-M76 VanDerWaalsContact O-CB 3.25Å; L72-M76 WeakPolarHBondContact O-CB 3.45Å; L72-M76 WeakPolarHBondContact O-CG 3.36Å; L72-M76 PolarHBondContact O-N 3.39Å; L73-M76 PolarHBondContact O-N 3.45Å; V74-M76 VanDerWaalsContact C-N 3.34Å; V74-M76 PolarHBondContact O-N 2.72Å; M76-G78 PolarHBondContact O-N 3.2Å; M76-L79 PolarHBondContact O-N 2.82Å; M76-L84 HydrophobicContact CB-CD2 3.88Å; M76-P85 HydrophobicContact CB-CG 4.24Å; M76-P85 HydrophobicContact CG-CG 4.32Å; M76-P85 HydrophobicContact SD-CG 3.7Å; M76-W87 HydrophobicContact CE-CB 4.39Å; M76-W87 HydrophobicContact CE-CD2 3.73Å; M76-W87 HydrophobicContact CE-CE3 3.23Å; M76-W87 HydrophobicContact CE-CG 4.24Å; M76-W87 HydrophobicContact CE-CZ3 3.66Å; M76-W87 HydrophobicContact CG-CZ3 4.47Å; M76-W87 HydrophobicContact SD-CD2 4.25Å; M76-W87 HydrophobicContact SD-CE3 3.2Å; M76-W87 HydrophobicContact SD-CZ3 3.39Å; M76-W87 WeakPolarHBondContact SD-CZ3 3.04Å; M76-I92 HydrophobicContact CG-CD1 4.15Å; M76-I92 HydrophobicContact SD-CD1 3.83Å; M76-I92 HydrophobicContact SD-CG1 3.66Å
77	S	63.2	Low	65.2	Low	60 Å²	60	59.6 Å²	59.6	42%	0.42	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	130.3	170.5	75.7	0	0	0	0	109.9	L73 V74	L73-S77 WeakPolarHBondContact O-CB 3.01Å; L73-S77 PolarHBondContact O-N 3.07Å; V74-S77 PolarHBondContact O-N 3.2Å; V74-S77 PolarHBondContact O-OG 2.94Å
78	G	65.9	Low	66.8	Low	29 Å²	29	62.1 Å²	62.1	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-9.1	-177.5	0	0	0	0	0	115.7	M76 V112 Y113	M76-G78 PolarHBondContact O-N 3.2Å; G78-V112 VanDerWaalsContact O-CB 3.25Å; G78-V112 WeakPolarHBondContact O-CB 3.37Å; G78-Y113 WeakPolarHBondContact O-CD2 3.35Å
79	L	72.1	Confident	67.9	Low	14 Å²	14	67.8 Å²	67.8	7%	0.073	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-38.3	171.5	-69.6	178.5	0	0	0	111.8	M76 P85 I92 P111 V112 I120	M76-L79 PolarHBondContact O-N 2.82Å; L79-P85 HydrophobicContact CB-CG 4.32Å; L79-P85 HydrophobicContact CD1-CG 4.12Å; L79-I92 HydrophobicContact CD1-CD1 3.37Å; L79-P111 HydrophobicContact CB-CB 4.48Å; L79-P111 HydrophobicContact CD2-CB 4.1Å; L79-P111 CarbonylContact O-C 3.54Å; L79-P111 VanDerWaalsContact O-CA 3.22Å; L79-P111 WeakPolarHBondContact O-CA 3.01Å; L79-V112 PolarHBondContact O-N 3.37Å; L79-I120 HydrophobicContact CB-CD1 3.69Å
80	C	71.5	Confident	68.6	Low	4 Å²	4	63 Å²	63	3%	0.027	33%	0.328	C	S	.	.	S	Bend	trans	-95.5	152.1	171	-59.4	0	0	0	0	110.5	K82 P85 C122	C80-K82 WeakPolarHBondContact CB-O 3.4Å; C80-K82 PolarHBondContact O-N 3.19Å; C80-P85 WeakPolarHBondContact SG-CA 3.31Å; C80-P85 VanDerWaalsContact SG-N 3.41Å; C80-C122 WeakPolarHBondContact CA-SG 2.95Å; C80-C122 HydrophobicContact CB-CB 3.67Å; C80-C122 WeakPolarHBondContact CB-SG 3.28Å; C80-C122 WeakPolarHBondContact SG-CA 3.27Å; C80-C122 WeakPolarHBondContact SG-CB 2.96Å; C80-C122 CovalentContact SG-SG 2.02Å; C80-C122 PolarHBondContact SG-SG 3.47Å
81	F	71.9	Confident	69.6	Low	124 Å²	124	64 Å²	64	54%	0.544	33%	0.326	S	S	.	.	S	Bend	trans	-57.8	-38.6	172.8	-177.4	-99	0	0	0	111.7	F184 M227	F81-F184 AromaticContact CD1-CD2 3.78Å; F81-F184 HydrophobicContact CD1-CD2 3.78Å; F81-F184 AromaticContact CD1-CE2 3.77Å; F81-F184 HydrophobicContact CD1-CE2 3.77Å; F81-F184 AromaticContact CE1-CD2 3.68Å; F81-F184 HydrophobicContact CE1-CD2 3.68Å; F81-F184 HydrophobicContact CE1-CE2 4.16Å; F81-M227 HydrophobicContact CE1-SD 4.39Å
82	K	78.7	Confident	70.8	Confident	50 Å²	50	60.8 Å²	60.8	22%	0.217	31%	0.311	C	S	.	.	S	Bend	trans	-142.3	148	170.2	-73.9	-62.9	-176.3	171.6	0	111	C80 P123 I128 N174 F175 F184	C80-K82 WeakPolarHBondContact CB-O 3.4Å; C80-K82 PolarHBondContact O-N 3.19Å; K82-P123 WeakPolarHBondContact O-CG 3.18Å; K82-I128 HydrophobicContact CB-CG1 4.32Å; K82-I128 HydrophobicContact CB-CG2 4.25Å; K82-N174 PolarHBondContact NZ-O 3.14Å; K82-F175 HydrophobicContact CD-CE1 4.26Å; K82-F175 VanDerWaalsContact CE-CE1 3.5Å; K82-F175 HydrophobicContact CG-CE1 4.41Å; K82-F184 HydrophobicContact CB-CD2 4.44Å; K82-F184 HydrophobicContact CB-CE1 4.19Å; K82-F184 HydrophobicContact CB-CE2 3.61Å; K82-F184 HydrophobicContact CB-CZ 3.44Å; K82-F184 VanDerWaalsContact CB-CZ 3.44Å; K82-F184 HydrophobicContact CG-CD1 4.46Å; K82-F184 HydrophobicContact CG-CD2 3.75Å; K82-F184 HydrophobicContact CG-CE1 4.14Å; K82-F184 HydrophobicContact CG-CE2 3.41Å; K82-F184 VanDerWaalsContact CG-CE2 3.41Å; K82-F184 HydrophobicContact CG-CG 4.29Å; K82-F184 HydrophobicContact CG-CZ 3.61Å
83	G	80.6	Confident	72.2	Confident	19 Å²	19	61.4 Å²	61.4	20%	0.196	32%	0.316	C	S	.	.	S	Bend	trans	71.7	-173.7	-177.2	0	0	0	0	0	113.8
84	L	84.5	Confident	73.3	Confident	70 Å²	70	61.9 Å²	61.9	37%	0.366	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-100.6	146.1	176.8	-61.4	172.7	0	0	0	109.2	L73 M76 P123	L73-L84 HydrophobicContact CD2-CD1 3.44Å; L73-L84 VanDerWaalsContact CD2-CD1 3.44Å; M76-L84 HydrophobicContact CB-CD2 3.88Å; L84-P123 WeakPolarHBondContact O-CD 3.36Å
85	P	82.8	Confident	74.1	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.032	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-64	155.9	176.3	30.3	-36.8	0	0	0	111.6	M76 L79 C80 W87 I92 I120 C121	M76-P85 HydrophobicContact CB-CG 4.24Å; M76-P85 HydrophobicContact CG-CG 4.32Å; M76-P85 HydrophobicContact SD-CG 3.7Å; L79-P85 HydrophobicContact CB-CG 4.32Å; L79-P85 HydrophobicContact CD1-CG 4.12Å; C80-P85 WeakPolarHBondContact SG-CA 3.31Å; C80-P85 VanDerWaalsContact SG-N 3.41Å; P85-W87 PolarHBondContact O-N 3.21Å; P85-W87 VanDerWaalsContact O-N 3.16Å; P85-I92 HydrophobicContact CB-CG2 3.87Å; P85-I92 HydrophobicContact CG-CD1 4.06Å; P85-I92 HydrophobicContact CG-CG1 4.34Å; P85-I92 HydrophobicContact CG-CG2 4.12Å; P85-I120 HydrophobicContact CB-CD1 3.96Å; P85-C121 CarbonylContact C-O 3.56Å; P85-C121 WeakPolarHBondContact CA-O 3.14Å
86	F	85	Confident	74.5	Confident	56 Å²	56	58.5 Å²	58.5	25%	0.246	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-61.3	121	-179.2	-170.7	-116.5	0	0	0	110.4	K88 V93 P103 H106 C121	F86-K88 HydrophobicContact CD1-CB 4.43Å; F86-K88 HydrophobicContact CE1-CB 3.88Å; F86-K88 HydrophobicContact CE1-CD 4.03Å; F86-K88 HydrophobicContact CE1-CG 4.38Å; F86-K88 HydrophobicContact CZ-CB 4.47Å; F86-V93 HydrophobicContact CB-CB 4.4Å; F86-V93 HydrophobicContact CD1-CB 3.67Å; F86-V93 HydrophobicContact CD1-CG1 4.19Å; F86-V93 HydrophobicContact CD1-CG2 3.35Å; F86-V93 HydrophobicContact CE1-CG2 3.81Å; F86-V93 HydrophobicContact CG-CG2 4.4Å; F86-V93 PolarHBondContact O-N 2.84Å; F86-P103 HydrophobicContact CB-CG 4.43Å; F86-P103 HydrophobicContact CD1-CG 3.5Å; F86-P103 HydrophobicContact CD2-CG 3.84Å; F86-P103 HydrophobicContact CE1-CB 4.19Å; F86-P103 HydrophobicContact CE1-CG 3.59Å; F86-P103 HydrophobicContact CE2-CG 3.9Å; F86-P103 HydrophobicContact CG-CG 3.66Å; F86-P103 HydrophobicContact CZ-CB 4.18Å; F86-P103 HydrophobicContact CZ-CG 3.79Å; F86-H106 AromaticContact CD2-CE1 3.7Å; F86-H106 AromaticContact CD2-NE2 3.55Å; F86-C121 HydrophobicContact CB-CB 3.81Å; F86-C121 PolarHBondContact N-O 2.77Å
87	W	81.5	Confident	73.9	Confident	83 Å²	83	60 Å²	60	31%	0.314	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.3	-178.2	-169.8	-99.1	0	0	0	109.9	L66 L72 M76 P85 G90 R91 I92	L66-W87 HydrophobicContact CD1-CH2 3.84Å; L66-W87 HydrophobicContact CD1-CZ2 4.36Å; L66-W87 HydrophobicContact CD2-CH2 3.36Å; L66-W87 HydrophobicContact CD2-CZ2 4.03Å; L66-W87 HydrophobicContact CD2-CZ3 4.22Å; L66-W87 HydrophobicContact CG-CH2 4.25Å; L72-W87 HydrophobicContact CD2-CD2 4.3Å; L72-W87 HydrophobicContact CD2-CH2 3.71Å; L72-W87 HydrophobicContact CD2-CZ2 3.34Å; L72-W87 HydrophobicContact CD2-CZ3 4.26Å; L72-W87 HydrophobicContact CG-CH2 4.3Å; L72-W87 HydrophobicContact CG-CZ2 4.32Å; M76-W87 HydrophobicContact CE-CB 4.39Å; M76-W87 HydrophobicContact CE-CD2 3.73Å; M76-W87 HydrophobicContact CE-CE3 3.23Å; M76-W87 HydrophobicContact CE-CG 4.24Å; M76-W87 HydrophobicContact CE-CZ3 3.66Å; M76-W87 HydrophobicContact CG-CZ3 4.47Å; M76-W87 HydrophobicContact SD-CD2 4.25Å; M76-W87 HydrophobicContact SD-CE3 3.2Å; M76-W87 HydrophobicContact SD-CZ3 3.39Å; M76-W87 WeakPolarHBondContact SD-CZ3 3.04Å; P85-W87 PolarHBondContact O-N 3.21Å; P85-W87 VanDerWaalsContact O-N 3.16Å; W87-G90 VanDerWaalsContact CE2-C 3.42Å; W87-G90 WeakPolarHBondContact CH2-O 3.46Å; W87-G90 WeakPolarHBondContact CZ2-O 3Å; W87-R91 VanDerWaalsContact CE3-C 3.48Å; W87-I92 HydrophobicContact CE3-CB 4.48Å; W87-I92 HydrophobicContact CE3-CG1 3.71Å; W87-I92 HydrophobicContact CZ3-CB 4.49Å; W87-I92 HydrophobicContact CZ3-CD1 4.47Å; W87-I92 HydrophobicContact CZ3-CG1 3.48Å; W87-I92 VanDerWaalsContact CZ3-CG1 3.48Å
88	K	77.7	Confident	73.4	Confident	114 Å²	114	64.8 Å²	64.8	50%	0.496	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	130.2	178.1	-164.2	179.4	179.1	177.6	0	110	F86 G90 R91 V93	F86-K88 HydrophobicContact CD1-CB 4.43Å; F86-K88 HydrophobicContact CE1-CB 3.88Å; F86-K88 HydrophobicContact CE1-CD 4.03Å; F86-K88 HydrophobicContact CE1-CG 4.38Å; F86-K88 HydrophobicContact CZ-CB 4.47Å; K88-G90 VanDerWaalsContact C-N 3.33Å; K88-G90 PolarHBondContact O-N 2.96Å; K88-R91 PolarHBondContact N-O 2.82Å; K88-R91 PolarHBondContact O-N 3.38Å; K88-R91 VanDerWaalsContact O-O 3.09Å; K88-V93 HydrophobicContact CB-CG2 3.44Å; K88-V93 VanDerWaalsContact CB-CG2 3.44Å
89	H	74.4	Confident	72.7	Confident	171 Å²	171	71.2 Å²	71.2	79%	0.792	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	43.9	179.4	-51	129.5	0	0	0	114.3	R91	H89-R91 VanDerWaalsContact C-N 3.29Å; H89-R91 PolarHBondContact O-N 2.85Å
90	G	65.8	Low	72.1	Confident	39 Å²	39	77.9 Å²	77.9	40%	0.402	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	15.3	175.8	0	0	0	0	0	114.7	W87 K88	W87-G90 VanDerWaalsContact CE2-C 3.42Å; W87-G90 WeakPolarHBondContact CH2-O 3.46Å; W87-G90 WeakPolarHBondContact CZ2-O 3Å; K88-G90 VanDerWaalsContact C-N 3.33Å; K88-G90 PolarHBondContact O-N 2.96Å
91	R	71.4	Confident	72.1	Confident	159 Å²	159	83.9 Å²	83.9	60%	0.6	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	153	177.8	-61.3	-176.8	-178.5	166.2	1.1	111.4	W87 K88 H89 V93	W87-R91 VanDerWaalsContact CE3-C 3.48Å; K88-R91 PolarHBondContact N-O 2.82Å; K88-R91 PolarHBondContact O-N 3.38Å; K88-R91 VanDerWaalsContact O-O 3.09Å; H89-R91 VanDerWaalsContact C-N 3.29Å; H89-R91 PolarHBondContact O-N 2.85Å; R91-V93 PolarHBondContact O-N 2.76Å
92	I	76.8	Confident	72.1	Confident	35 Å²	35	78.8 Å²	78.8	18%	0.179	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	129	167.4	-55.7	-177.2	0	0	0	108.2	M76 L79 P85 W87 R94 I120	M76-I92 HydrophobicContact CG-CD1 4.15Å; M76-I92 HydrophobicContact SD-CD1 3.83Å; M76-I92 HydrophobicContact SD-CG1 3.66Å; L79-I92 HydrophobicContact CD1-CD1 3.37Å; P85-I92 HydrophobicContact CB-CG2 3.87Å; P85-I92 HydrophobicContact CG-CD1 4.06Å; P85-I92 HydrophobicContact CG-CG1 4.34Å; P85-I92 HydrophobicContact CG-CG2 4.12Å; W87-I92 HydrophobicContact CE3-CB 4.48Å; W87-I92 HydrophobicContact CE3-CG1 3.71Å; W87-I92 HydrophobicContact CZ3-CB 4.49Å; W87-I92 HydrophobicContact CZ3-CD1 4.47Å; W87-I92 HydrophobicContact CZ3-CG1 3.48Å; W87-I92 VanDerWaalsContact CZ3-CG1 3.48Å; I92-R94 PolarHBondContact O-N 3.34Å; I92-I120 HydrophobicContact CG2-CB 4.02Å; I92-I120 HydrophobicContact CG2-CG2 3.74Å
93	V	81.2	Confident	72	Confident	35 Å²	35	78.3 Å²	78.3	21%	0.212	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-74.4	116.4	173.8	178	0	0	0	0	109	F86 K88 R91 C121	F86-V93 HydrophobicContact CB-CB 4.4Å; F86-V93 HydrophobicContact CD1-CB 3.67Å; F86-V93 HydrophobicContact CD1-CG1 4.19Å; F86-V93 HydrophobicContact CD1-CG2 3.35Å; F86-V93 HydrophobicContact CE1-CG2 3.81Å; F86-V93 HydrophobicContact CG-CG2 4.4Å; F86-V93 PolarHBondContact O-N 2.84Å; K88-V93 HydrophobicContact CB-CG2 3.44Å; K88-V93 VanDerWaalsContact CB-CG2 3.44Å; R91-V93 PolarHBondContact O-N 2.76Å; V93-C121 PolarHBondContact O-N 2.92Å
94	R	79.2	Confident	71.2	Confident	95 Å²	95	83.7 Å²	83.7	36%	0.358	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-86.7	148.4	171.1	-65.2	-175.8	-176.7	160.8	4.9	110	E58 I92 R119 I120	E58-R94 IonicContact OE1-NH2 3.39Å; E58-R94 PolarHBondContact OE1-NH2 3.48Å; E58-R94 IonicContact OE2-CZ 3.16Å; E58-R94 IonicContact OE2-NH1 3.38Å; E58-R94 PolarHBondContact OE2-NH1 2.77Å; E58-R94 IonicContact OE2-NH2 2.6Å; E58-R94 PolarHBondContact OE2-NH2 2.82Å; I92-R94 PolarHBondContact O-N 3.34Å; R94-R119 VanDerWaalsContact CA-O 3.29Å; R94-R119 WeakPolarHBondContact CA-O 3.49Å; R94-R119 WeakPolarHBondContact CB-O 3.28Å; R94-I120 HydrophobicContact CG-CG2 4.42Å
95	C	70.7	Confident	70.2	Confident	7 Å²	7	84.1 Å²	84.1	5%	0.047	40%	0.396	C	S	.	.			trans	-122.3	160.4	175.5	54.4	0	0	0	0	109.9	R100 C102 C108 R119 I120	C95-R100 WeakPolarHBondContact CA-O 3.19Å; C95-R100 WeakPolarHBondContact CB-O 3.49Å; C95-C102 VanDerWaalsContact CB-SG 3.55Å; C95-C108 HydrophobicContact CB-CB 3.66Å; C95-C108 WeakPolarHBondContact CB-SG 3.45Å; C95-C108 WeakPolarHBondContact SG-CA 3.5Å; C95-C108 WeakPolarHBondContact SG-CB 3.49Å; C95-C108 CovalentContact SG-SG 2.02Å; C95-C108 PolarHBondContact SG-SG 3.47Å; C95-R119 PolarHBondContact N-O 2.91Å; C95-R119 VanDerWaalsContact N-O 3.12Å; C95-R119 WeakPolarHBondContact O-CB 3.29Å; C95-I120 PolarHBondContact SG-O 3.43Å; C95-I120 VanDerWaalsContact SG-O 3.39Å
96	D	64.4	Low	69.6	Low	51 Å²	51	85.1 Å²	85.1	27%	0.273	40%	0.4	S	S	.	.			trans	-140.5	168.7	166.6	55.6	51.9	0	0	0	106.3	F98 E99 R100	D96-F98 PolarHBondContact O-N 2.85Å; D96-F98 PolarHBondContact OD1-N 3.29Å; D96-E99 WeakPolarHBondContact OD1-CA 3.39Å; D96-E99 PolarHBondContact OD1-N 2.78Å; D96-R100 PolarHBondContact N-O 3.4Å; D96-R100 PolarHBondContact OD1-N 3.47Å; D96-R100 WeakPolarHBondContact OD2-CG 3.23Å; D96-R100 IonicContact OD2-NE 3.74Å
97	L	52.7	Low	68.5	Low	39 Å²	39	85.3 Å²	85.3	20%	0.204	40%	0.4	C	S	.	.	S	Bend	trans	-81	1.2	-172.5	-64.1	138.1	0	0	0	112.8	G207 Q208	L97-G207 WeakPolarHBondContact CD1-O 3.34Å; L97-Q208 HydrophobicContact CD1-CB 4.02Å
98	F	53.5	Low	68.1	Low	161 Å²	161	82 Å²	82	71%	0.706	39%	0.389	S	S	*	.	S	Bend	trans	-124.4	-41.7	-165.1	-60.5	-74.8	0	0	0	113.2	D96	D96-F98 PolarHBondContact O-N 2.85Å; D96-F98 PolarHBondContact OD1-N 3.29Å
99	E	51	Low	67.6	Low	164 Å²	164	77.6 Å²	77.6	77%	0.766	37%	0.371	S	S	*	.	S	Bend	trans	-129.4	-35.8	-170.8	-64.6	-174	172.8	0	0	113.5	D96	D96-E99 WeakPolarHBondContact OD1-CA 3.39Å; D96-E99 PolarHBondContact OD1-N 2.78Å
100	R	59	Low	67.1	Low	155 Å²	155	72.3 Å²	72.3	59%	0.585	35%	0.351	S	S	*	.			trans	-104.6	84.8	-174.6	-63.8	-179	-161.1	-124.6	-1.5	111.3	C95 D96	C95-R100 WeakPolarHBondContact CA-O 3.19Å; C95-R100 WeakPolarHBondContact CB-O 3.49Å; D96-R100 PolarHBondContact N-O 3.4Å; D96-R100 PolarHBondContact OD1-N 3.47Å; D96-R100 WeakPolarHBondContact OD2-CG 3.23Å; D96-R100 IonicContact OD2-NE 3.74Å
101	I	71.2	Confident	66.9	Low	129 Å²	129	71 Å²	71	66%	0.662	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-76.2	135.7	175.1	-49.8	176	0	0	0	109.3
102	C	71.9	Confident	66.2	Low	17 Å²	17	67.3 Å²	67.3	12%	0.115	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-63	150.9	171.9	-67.6	0	0	0	0	111.8	C95 H106 C121	C95-C102 VanDerWaalsContact CB-SG 3.55Å; C102-H106 HydrophobicContact CB-CB 3.97Å; C102-H106 WeakPolarHBondContact CB-O 3.37Å; C102-C121 WeakPolarHBondContact CA-SG 3.05Å; C102-C121 HydrophobicContact CB-CB 3.71Å; C102-C121 WeakPolarHBondContact CB-SG 3.21Å; C102-C121 WeakPolarHBondContact SG-CA 3.48Å; C102-C121 WeakPolarHBondContact SG-CB 3.36Å; C102-C121 CovalentContact SG-SG 2.04Å; C102-C121 PolarHBondContact SG-SG 3.17Å
103	P	76.5	Confident	65	Low	41 Å²	41	70.3 Å²	70.3	27%	0.266	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-60.7	165.7	173.3	31.6	-40	0	0	0	111.1	F86 E105 H106	F86-P103 HydrophobicContact CB-CG 4.43Å; F86-P103 HydrophobicContact CD1-CG 3.5Å; F86-P103 HydrophobicContact CD2-CG 3.84Å; F86-P103 HydrophobicContact CE1-CB 4.19Å; F86-P103 HydrophobicContact CE1-CG 3.59Å; F86-P103 HydrophobicContact CE2-CG 3.9Å; F86-P103 HydrophobicContact CG-CG 3.66Å; F86-P103 HydrophobicContact CZ-CB 4.18Å; F86-P103 HydrophobicContact CZ-CG 3.79Å; P103-E105 PolarHBondContact O-N 3.32Å; P103-H106 HydrophobicContact CG-CB 3.97Å; P103-H106 PolarHBondContact O-N 3.3Å
104	L	63.6	Low	63.6	Low	132 Å²	132	69.6 Å²	69.6	69%	0.691	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	142.1	174.3	-166.3	72	0	0	0	110.6	H106	L104-H106 PolarHBondContact O-N 3.37Å; L104-H106 PolarHBondContact O-ND1 3.01Å
105	E	63.5	Low	62.3	Low	79 Å²	79	65.4 Å²	65.4	37%	0.369	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	15.4	-177.8	-58.6	-56.8	141.3	0	0	115.3	P103 S124 S126 I127	P103-E105 PolarHBondContact O-N 3.32Å; E105-S124 VanDerWaalsContact O-CB 3.28Å; E105-S124 WeakPolarHBondContact O-CB 3.35Å; E105-S124 PolarHBondContact O-N 3.5Å; E105-S124 PolarHBondContact O-OG 3.33Å; E105-S124 PolarHBondContact OE2-OG 3.3Å; E105-S126 WeakPolarHBondContact OE2-CB 3.31Å; E105-S126 PolarHBondContact OE2-OG 3.38Å; E105-I127 HydrophobicContact CB-CD1 3.45Å; E105-I127 VanDerWaalsContact CB-CD1 3.45Å; E105-I127 HydrophobicContact CB-CG1 3.49Å; E105-I127 VanDerWaalsContact CB-CG1 3.49Å; E105-I127 HydrophobicContact CG-CG1 4.26Å; E105-I127 WeakPolarHBondContact O-CD1 3.38Å
106	H	70.8	Confident	61.4	Low	26 Å²	26	68.3 Å²	68.3	12%	0.12	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.2	168	-65.4	67.8	0	0	0	110.2	F86 C102 P103 L104 C121 C122 I127	F86-H106 AromaticContact CD2-CE1 3.7Å; F86-H106 AromaticContact CD2-NE2 3.55Å; C102-H106 HydrophobicContact CB-CB 3.97Å; C102-H106 WeakPolarHBondContact CB-O 3.37Å; P103-H106 HydrophobicContact CG-CB 3.97Å; P103-H106 PolarHBondContact O-N 3.3Å; L104-H106 PolarHBondContact O-N 3.37Å; L104-H106 PolarHBondContact O-ND1 3.01Å; H106-C121 HydrophobicContact CB-CB 4.19Å; H106-C122 CarbonylContact C-O 3.47Å; H106-C122 WeakPolarHBondContact CA-O 3.48Å; H106-C122 WeakPolarHBondContact CB-O 3.24Å; H106-I127 VanDerWaalsContact CE1-CD1 3.48Å; H106-I127 WeakPolarHBondContact CE1-CD1 3.38Å
107	Y	62.8	Low	61	Low	60 Å²	60	70.8 Å²	70.8	24%	0.235	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.4	178.8	63	-73.9	0	0	0	110.5	V109 C122 P123	Y107-V109 HydrophobicContact CD2-CG1 3.14Å; Y107-V109 HydrophobicContact CE2-CB 4.45Å; Y107-V109 HydrophobicContact CE2-CG1 2.99Å; Y107-V109 HydrophobicContact CG-CG1 4.19Å; Y107-V109 PolarHBondContact O-N 3.46Å; Y107-C122 WeakPolarHBondContact CD1-O 3.22Å; Y107-C122 HydrophobicContact CE1-CB 4.31Å; Y107-C122 PolarHBondContact N-O 3.05Å; Y107-C122 PolarHBondContact O-N 3.36Å; Y107-P123 VanDerWaalsContact CE1-O 3.27Å; Y107-P123 WeakPolarHBondContact CE1-O 3.25Å
108	C	71.4	Confident	61.7	Low	12 Å²	12	69.3 Å²	69.3	8%	0.081	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.8	-177.8	-175.6	0	0	0	0	110	C95 I120	C95-C108 HydrophobicContact CB-CB 3.66Å; C95-C108 WeakPolarHBondContact CB-SG 3.45Å; C95-C108 WeakPolarHBondContact SG-CA 3.5Å; C95-C108 WeakPolarHBondContact SG-CB 3.49Å; C95-C108 CovalentContact SG-SG 2.02Å; C95-C108 PolarHBondContact SG-SG 3.47Å; C108-I120 WeakPolarHBondContact CA-O 3.1Å
109	V	67.8	Low	62.5	Low	22 Å²	22	63.2 Å²	63.2	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.7	-179.4	-62.2	0	0	0	0	112.2	Y107 R119 I120 C122	Y107-V109 HydrophobicContact CD2-CG1 3.14Å; Y107-V109 HydrophobicContact CE2-CB 4.45Å; Y107-V109 HydrophobicContact CE2-CG1 2.99Å; Y107-V109 HydrophobicContact CG-CG1 4.19Å; Y107-V109 PolarHBondContact O-N 3.46Å; V109-R119 CarbonylContact O-C 3.58Å; V109-R119 WeakPolarHBondContact O-CA 3.1Å; V109-I120 HydrophobicContact CG2-CG1 4.1Å; V109-I120 PolarHBondContact N-O 2.74Å; V109-I120 PolarHBondContact O-N 3.27Å; V109-C122 HydrophobicContact CG2-CB 3.73Å; V109-C122 WeakPolarHBondContact CG2-SG 3.21Å
110	V	64.5	Low	63.6	Low	61 Å²	61	55.8 Å²	55.8	37%	0.37	30%	0.297	S	S	.	.			trans	-70.1	129	156.6	176.4	0	0	0	0	107.5	A116 R119	V110-A116 HydrophobicContact CG1-CB 4.41Å; V110-R119 HydrophobicContact CG2-CG 4.43Å
111	P	60.9	Low	64.7	Low	11 Å²	11	48.4 Å²	48.4	7%	0.071	27%	0.27	C	S	.	.			trans	-61.7	150.1	177.8	26.8	-35.8	0	0	0	110.7	L79 Y113 S118 I120	L79-P111 HydrophobicContact CB-CB 4.48Å; L79-P111 HydrophobicContact CD2-CB 4.1Å; L79-P111 CarbonylContact O-C 3.54Å; L79-P111 VanDerWaalsContact O-CA 3.22Å; L79-P111 WeakPolarHBondContact O-CA 3.01Å; P111-Y113 VanDerWaalsContact CB-O 3.31Å; P111-Y113 WeakPolarHBondContact CB-O 3.46Å; P111-Y113 WeakPolarHBondContact CG-O 3.48Å; P111-Y113 PolarHBondContact O-N 3.47Å; P111-S118 WeakPolarHBondContact CD-O 3.47Å; P111-S118 WeakPolarHBondContact CG-O 3.38Å; P111-I120 HydrophobicContact CB-CD1 3.75Å; P111-I120 HydrophobicContact CB-CG1 4.21Å
112	V	56.9	Low	65	Low	81 Å²	81	42.3 Å²	42.3	49%	0.491	24%	0.238	S	C	.	.	S	Bend	trans	-59.7	-32.9	177.4	-174.9	0	0	0	0	110.8	G78 L79	G78-V112 VanDerWaalsContact O-CB 3.25Å; G78-V112 WeakPolarHBondContact O-CB 3.37Å; L79-V112 PolarHBondContact O-N 3.37Å
113	Y	50.6	Low	65.3	Low	98 Å²	98	41.7 Å²	41.7	38%	0.384	23%	0.234	S	C	.	.	S	Bend	trans	-125	136.8	174.8	-52.4	-74.3	0	0	0	111	H33 S35 G78 P111	H33-Y113 HydrophobicContact CB-CD1 4.48Å; H33-Y113 HydrophobicContact CB-CG 4.49Å; H33-Y113 AromaticContact CD2-CD1 3.52Å; H33-Y113 AromaticContact CD2-CE1 3.6Å; S35-Y113 WeakPolarHBondContact OG-CB 3.3Å; G78-Y113 WeakPolarHBondContact O-CD2 3.35Å; P111-Y113 VanDerWaalsContact CB-O 3.31Å; P111-Y113 WeakPolarHBondContact CB-O 3.46Å; P111-Y113 WeakPolarHBondContact CG-O 3.48Å; P111-Y113 PolarHBondContact O-N 3.47Å
114	G	53.5	Low	64.9	Low	20 Å²	20	40.2 Å²	40.2	21%	0.206	22%	0.224	C	C	.	.	S	Bend	trans	115.4	-177.7	-176.8	0	0	0	0	0	111.7
115	P	51.7	Low	65.3	Low	8 Å²	8	34.2 Å²	34.2	5%	0.052	19%	0.194	C	C	.	.			trans	-78	147	-175.8	15.9	-9.2	0	0	0	112.4	Y27 V54 T117 S118	Y27-P115 HydrophobicContact CD1-CG 4.42Å; Y27-P115 HydrophobicContact CE1-CB 3.86Å; Y27-P115 HydrophobicContact CE1-CG 3.9Å; V54-P115 HydrophobicContact CB-CB 4.41Å; V54-P115 HydrophobicContact CB-CG 3.32Å; V54-P115 HydrophobicContact CG1-CG 3.69Å; V54-P115 HydrophobicContact CG2-CB 4.43Å; V54-P115 VanDerWaalsContact CG2-CD 3.49Å; V54-P115 HydrophobicContact CG2-CG 3.02Å; P115-T117 PolarHBondContact O-N 3.37Å; P115-S118 PolarHBondContact O-N 2.94Å
116	A	52.3	Low	65.2	Low	68 Å²	68	32.1 Å²	32.1	56%	0.562	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.2	175.5	0	0	0	0	0	114.3	V110	V110-A116 HydrophobicContact CG1-CB 4.41Å
117	T	54.8	Low	65.1	Low	103 Å²	103	33.2 Å²	33.2	63%	0.632	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-23.3	177.7	58.1	0	0	0	0	113.5	P115 R119	P115-T117 PolarHBondContact O-N 3.37Å; T117-R119 PolarHBondContact O-N 2.65Å; T117-R119 VanDerWaalsContact O-N 3.15Å
118	S	67.4	Low	65.9	Low	7 Å²	7	30.6 Å²	30.6	5%	0.049	18%	0.184	C	C	.	.			trans	-91.4	66.7	-174.3	-73.4	0	0	0	0	111.2	V54 E58 P111 P115	V54-S118 VanDerWaalsContact CG1-OG 3.31Å; V54-S118 WeakPolarHBondContact CG1-OG 3.33Å; E58-S118 PolarHBondContact OE1-OG 2.95Å; P111-S118 WeakPolarHBondContact CD-O 3.47Å; P111-S118 WeakPolarHBondContact CG-O 3.38Å; P115-S118 PolarHBondContact O-N 2.94Å
119	R	69.9	Low	66.3	Low	33 Å²	33	30.1 Å²	30.1	13%	0.125	18%	0.181	C	C	.	.			trans	-67.4	142.1	179.1	-58.8	160.4	171.1	-70.6	-36.1	111.2	R94 C95 V109 V110 T117 A206 G207	R94-R119 VanDerWaalsContact CA-O 3.29Å; R94-R119 WeakPolarHBondContact CA-O 3.49Å; R94-R119 WeakPolarHBondContact CB-O 3.28Å; C95-R119 PolarHBondContact N-O 2.91Å; C95-R119 VanDerWaalsContact N-O 3.12Å; C95-R119 WeakPolarHBondContact O-CB 3.29Å; V109-R119 CarbonylContact O-C 3.58Å; V109-R119 WeakPolarHBondContact O-CA 3.1Å; V110-R119 HydrophobicContact CG2-CG 4.43Å; T117-R119 PolarHBondContact O-N 2.65Å; T117-R119 VanDerWaalsContact O-N 3.15Å; R119-A206 PolarHBondContact NH1-O 3.41Å; R119-G207 VanDerWaalsContact CZ-CA 3.4Å; R119-G207 VanDerWaalsContact CZ-O 3.26Å; R119-G207 PolarHBondContact NH2-O 3.03Å
120	I	74.7	Confident	66.8	Low	9 Å²	9	31.5 Å²	31.5	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.9	-176.3	60.3	172.8	0	0	0	111	L79 P85 I92 R94 C95 C108 V109 P111	L79-I120 HydrophobicContact CB-CD1 3.69Å; P85-I120 HydrophobicContact CB-CD1 3.96Å; I92-I120 HydrophobicContact CG2-CB 4.02Å; I92-I120 HydrophobicContact CG2-CG2 3.74Å; R94-I120 HydrophobicContact CG-CG2 4.42Å; C95-I120 PolarHBondContact SG-O 3.43Å; C95-I120 VanDerWaalsContact SG-O 3.39Å; C108-I120 WeakPolarHBondContact CA-O 3.1Å; V109-I120 HydrophobicContact CG2-CG1 4.1Å; V109-I120 PolarHBondContact N-O 2.74Å; V109-I120 PolarHBondContact O-N 3.27Å; P111-I120 HydrophobicContact CB-CD1 3.75Å; P111-I120 HydrophobicContact CB-CG1 4.21Å
121	C	81.2	Confident	67.5	Low	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.6	175.4	-64.1	0	0	0	0	110.7	P85 F86 V93 C102 H106	P85-C121 CarbonylContact C-O 3.56Å; P85-C121 WeakPolarHBondContact CA-O 3.14Å; F86-C121 HydrophobicContact CB-CB 3.81Å; F86-C121 PolarHBondContact N-O 2.77Å; V93-C121 PolarHBondContact O-N 2.92Å; C102-C121 WeakPolarHBondContact CA-SG 3.05Å; C102-C121 HydrophobicContact CB-CB 3.71Å; C102-C121 WeakPolarHBondContact CB-SG 3.21Å; C102-C121 WeakPolarHBondContact SG-CA 3.48Å; C102-C121 WeakPolarHBondContact SG-CB 3.36Å; C102-C121 CovalentContact SG-SG 2.04Å; C102-C121 PolarHBondContact SG-SG 3.17Å; H106-C121 HydrophobicContact CB-CB 4.19Å
122	C	79.4	Confident	68.7	Low	0 Å²	0	37 Å²	37	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.7	177.3	-75.2	0	0	0	0	111.4	C80 H106 Y107 V109 S124	C80-C122 WeakPolarHBondContact CA-SG 2.95Å; C80-C122 HydrophobicContact CB-CB 3.67Å; C80-C122 WeakPolarHBondContact CB-SG 3.28Å; C80-C122 WeakPolarHBondContact SG-CA 3.27Å; C80-C122 WeakPolarHBondContact SG-CB 2.96Å; C80-C122 CovalentContact SG-SG 2.02Å; C80-C122 PolarHBondContact SG-SG 3.47Å; H106-C122 CarbonylContact C-O 3.47Å; H106-C122 WeakPolarHBondContact CA-O 3.48Å; H106-C122 WeakPolarHBondContact CB-O 3.24Å; Y107-C122 WeakPolarHBondContact CD1-O 3.22Å; Y107-C122 HydrophobicContact CE1-CB 4.31Å; Y107-C122 PolarHBondContact N-O 3.05Å; Y107-C122 PolarHBondContact O-N 3.36Å; V109-C122 HydrophobicContact CG2-CB 3.73Å; V109-C122 WeakPolarHBondContact CG2-SG 3.21Å; C122-S124 PolarHBondContact O-N 3.27Å
123	P	77.4	Confident	70.2	Confident	5 Å²	5	37 Å²	37	3%	0.032	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.6	-176.7	27.4	-34.1	0	0	0	109.8	K82 L84 Y107 I127 I128	K82-P123 WeakPolarHBondContact O-CG 3.18Å; L84-P123 WeakPolarHBondContact O-CD 3.36Å; Y107-P123 VanDerWaalsContact CE1-O 3.27Å; Y107-P123 WeakPolarHBondContact CE1-O 3.25Å; P123-I127 HydrophobicContact CB-CB 4.33Å; P123-I127 HydrophobicContact CB-CD1 4.1Å; P123-I127 HydrophobicContact CB-CG2 4.48Å; P123-I128 HydrophobicContact CB-CD1 3.9Å; P123-I128 HydrophobicContact CB-CG1 4.16Å; P123-I128 HydrophobicContact CG-CD1 3.65Å; P123-I128 HydrophobicContact CG-CG1 4.07Å
124	S	67.8	Low	71.9	Confident	9 Å²	9	33.2 Å²	33.2	6%	0.063	20%	0.204	C	C	.	.			trans	-58.7	158.3	173.5	64.3	0	0	0	0	110.6	E105 C122 S126 I127 I128	E105-S124 VanDerWaalsContact O-CB 3.28Å; E105-S124 WeakPolarHBondContact O-CB 3.35Å; E105-S124 PolarHBondContact O-N 3.5Å; E105-S124 PolarHBondContact O-OG 3.33Å; E105-S124 PolarHBondContact OE2-OG 3.3Å; C122-S124 PolarHBondContact O-N 3.27Å; S124-S126 WeakPolarHBondContact CB-OG 3.22Å; S124-S126 PolarHBondContact O-N 2.02Å; S124-S126 PolarHBondContact OG-OG 3.32Å; S124-I127 PolarHBondContact O-N 2.83Å; S124-I127 PolarHBondContact OG-N 3.19Å; S124-I128 WeakPolarHBondContact O-CG1 3.39Å; S124-I128 PolarHBondContact O-N 2.96Å; S124-I128 VanDerWaalsContact O-N 3.14Å
125	A	71.3	Confident	73.5	Confident	6 Å²	6	35.7 Å²	35.7	5%	0.05	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-17.4	174.8	0	0	0	0	0	112.5	I128 C129 F184 F188 M227	A125-I128 PolarHBondContact O-N 3.46Å; A125-C129 WeakPolarHBondContact O-CB 3.34Å; A125-C129 PolarHBondContact O-N 2.82Å; A125-C129 PolarHBondContact O-SG 3.45Å; A125-F184 HydrophobicContact CB-CD1 3.94Å; A125-F184 HydrophobicContact CB-CE1 3.35Å; A125-F184 HydrophobicContact CB-CE2 4.02Å; A125-F184 HydrophobicContact CB-CZ 3.4Å; A125-F188 HydrophobicContact CB-CD2 4Å; A125-F188 HydrophobicContact CB-CE2 2.99Å; A125-F188 HydrophobicContact CB-CZ 3.35Å; A125-M227 HydrophobicContact CB-CE 3.8Å
126	S	62.8	Low	74.8	Confident	35 Å²	35	35.6 Å²	35.6	25%	0.245	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-44.2	171.1	23.7	0	0	0	0	110.9	E105 S124 A130 F188	E105-S126 WeakPolarHBondContact OE2-CB 3.31Å; E105-S126 PolarHBondContact OE2-OG 3.38Å; S124-S126 WeakPolarHBondContact CB-OG 3.22Å; S124-S126 PolarHBondContact O-N 2.02Å; S124-S126 PolarHBondContact OG-OG 3.32Å; S126-A130 WeakPolarHBondContact O-CB 3.35Å; S126-A130 PolarHBondContact O-N 3.39Å; S126-F188 VanDerWaalsContact CA-CD1 3.45Å; S126-F188 VanDerWaalsContact CB-CD1 3.41Å; S126-F188 VanDerWaalsContact OG-CE1 3.29Å; S126-F188 WeakPolarHBondContact OG-CE1 3.41Å
127	I	68.4	Low	75.7	Confident	50 Å²	50	36.9 Å²	36.9	26%	0.256	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-53.5	173.7	-58.9	-175.5	0	0	0	109.1	E105 H106 P123 S124 C129 A130 L131	E105-I127 HydrophobicContact CB-CD1 3.45Å; E105-I127 VanDerWaalsContact CB-CD1 3.45Å; E105-I127 HydrophobicContact CB-CG1 3.49Å; E105-I127 VanDerWaalsContact CB-CG1 3.49Å; E105-I127 HydrophobicContact CG-CG1 4.26Å; E105-I127 WeakPolarHBondContact O-CD1 3.38Å; H106-I127 VanDerWaalsContact CE1-CD1 3.48Å; H106-I127 WeakPolarHBondContact CE1-CD1 3.38Å; P123-I127 HydrophobicContact CB-CB 4.33Å; P123-I127 HydrophobicContact CB-CD1 4.1Å; P123-I127 HydrophobicContact CB-CG2 4.48Å; S124-I127 PolarHBondContact O-N 2.83Å; S124-I127 PolarHBondContact OG-N 3.19Å; I127-C129 PolarHBondContact O-N 3.49Å; I127-A130 PolarHBondContact O-N 3.46Å; I127-L131 WeakPolarHBondContact O-CG 3.4Å; I127-L131 PolarHBondContact O-N 3.18Å
128	I	78.3	Confident	76.4	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-48.7	-170.5	-63.8	-53	0	0	0	111	K82 P123 S124 A125 A130 L131 G172 N173 F184	K82-I128 HydrophobicContact CB-CG1 4.32Å; K82-I128 HydrophobicContact CB-CG2 4.25Å; P123-I128 HydrophobicContact CB-CD1 3.9Å; P123-I128 HydrophobicContact CB-CG1 4.16Å; P123-I128 HydrophobicContact CG-CD1 3.65Å; P123-I128 HydrophobicContact CG-CG1 4.07Å; S124-I128 WeakPolarHBondContact O-CG1 3.39Å; S124-I128 PolarHBondContact O-N 2.96Å; S124-I128 VanDerWaalsContact O-N 3.14Å; A125-I128 PolarHBondContact O-N 3.46Å; I128-A130 PolarHBondContact O-N 2.82Å; I128-L131 HydrophobicContact CD1-CD1 4.18Å; I128-L131 WeakPolarHBondContact O-CB 3.34Å; I128-L131 WeakPolarHBondContact O-CG 3.38Å; I128-L131 PolarHBondContact O-N 2.89Å; I128-L131 VanDerWaalsContact O-N 3.12Å; I128-G172 WeakPolarHBondContact CG2-O 3.32Å; I128-N173 VanDerWaalsContact O-CB 3.29Å; I128-N173 WeakPolarHBondContact O-CB 3.31Å; I128-F184 HydrophobicContact CB-CE1 3.66Å; I128-F184 HydrophobicContact CB-CZ 4.01Å; I128-F184 HydrophobicContact CG1-CE1 4.35Å; I128-F184 HydrophobicContact CG1-CZ 4.18Å; I128-F184 HydrophobicContact CG2-CD1 4.41Å; I128-F184 HydrophobicContact CG2-CE1 3.47Å; I128-F184 VanDerWaalsContact CG2-CE1 3.47Å; I128-F184 HydrophobicContact CG2-CZ 4.01Å
129	C	81.2	Confident	76.4	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-73.8	-13.9	-177.8	-56.4	0	0	0	0	113.1	A125 I127 F153 F184 C185	A125-C129 WeakPolarHBondContact O-CB 3.34Å; A125-C129 PolarHBondContact O-N 2.82Å; A125-C129 PolarHBondContact O-SG 3.45Å; I127-C129 PolarHBondContact O-N 3.49Å; C129-F153 HydrophobicContact CB-CB 4.18Å; C129-F153 HydrophobicContact CB-CD1 3.76Å; C129-F153 HydrophobicContact CB-CE1 4.43Å; C129-F153 HydrophobicContact CB-CG 4.16Å; C129-F153 WeakPolarHBondContact O-CD1 2.99Å; C129-F184 VanDerWaalsContact SG-CD1 3.51Å; C129-C185 HydrophobicContact CB-CB 3.72Å; C129-C185 WeakPolarHBondContact CB-SG 3.46Å; C129-C185 WeakPolarHBondContact SG-CA 3.46Å; C129-C185 WeakPolarHBondContact SG-CB 2.98Å; C129-C185 CovalentContact SG-SG 2.03Å; C129-C185 PolarHBondContact SG-SG 3.05Å
130	A	77.4	Confident	76.4	Confident	52 Å²	52	46.5 Å²	46.5	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-85	-10.4	171	0	0	0	0	0	113.4	S126 I127 I128 F155	S126-A130 WeakPolarHBondContact O-CB 3.35Å; S126-A130 PolarHBondContact O-N 3.39Å; I127-A130 PolarHBondContact O-N 3.46Å; I128-A130 PolarHBondContact O-N 2.82Å; A130-F155 HydrophobicContact CB-CD2 4.34Å
131	L	80.3	Confident	75.9	Confident	61 Å²	61	51 Å²	51	32%	0.319	28%	0.278	S	S	.	.	S	Bend	trans	-69	143.5	176.4	-58.8	173.6	0	0	0	110.4	I127 I128 N171 N173	I127-L131 WeakPolarHBondContact O-CG 3.4Å; I127-L131 PolarHBondContact O-N 3.18Å; I128-L131 HydrophobicContact CD1-CD1 4.18Å; I128-L131 WeakPolarHBondContact O-CB 3.34Å; I128-L131 WeakPolarHBondContact O-CG 3.38Å; I128-L131 PolarHBondContact O-N 2.89Å; I128-L131 VanDerWaalsContact O-N 3.12Å; L131-N171 HydrophobicContact CD1-CB 4.02Å; L131-N173 HydrophobicContact CB-CB 4.04Å; L131-N173 PolarHBondContact O-ND2 3.33Å
132	N	84.5	Confident	75.2	Confident	125 Å²	125	58.4 Å²	58.4	67%	0.668	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-64.1	159.7	169.7	-68.2	-43.7	0	0	0	111.2	A134 N171	N132-A134 PolarHBondContact O-N 2.86Å; N132-N171 PolarHBondContact O-ND2 3.36Å
133	K	89.5	Confident	74.3	Confident	82 Å²	82	63.4 Å²	63.4	36%	0.357	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-56.6	137.2	167.8	63.3	178.6	-177.9	-70.4	0	111.1	E135 Y152 F163	K133-E135 HydrophobicContact CD-CG 4.35Å; K133-E135 WeakPolarHBondContact CE-OE1 3.29Å; K133-E135 HydrophobicContact CG-CG 4.5Å; K133-Y152 HydrophobicContact CB-CD1 3.74Å; K133-Y152 HydrophobicContact CB-CD2 3.74Å; K133-Y152 HydrophobicContact CB-CE1 4Å; K133-Y152 HydrophobicContact CB-CE2 3.97Å; K133-Y152 HydrophobicContact CB-CG 3.61Å; K133-Y152 HydrophobicContact CD-CD1 4.28Å; K133-Y152 HydrophobicContact CD-CE1 3.81Å; K133-Y152 HydrophobicContact CG-CE1 4.33Å; K133-Y152 HydrophobicContact CG-CE2 4.37Å; K133-F163 HydrophobicContact CB-CD1 4.44Å; K133-F163 HydrophobicContact CB-CD2 4.09Å; K133-F163 HydrophobicContact CB-CE2 4.34Å; K133-F163 HydrophobicContact CB-CG 4.14Å; K133-F163 HydrophobicContact CD-CB 3.83Å; K133-F163 HydrophobicContact CD-CD2 4.31Å; K133-F163 HydrophobicContact CD-CG 4.18Å
134	A	87	Confident	73.5	Confident	18 Å²	18	66.4 Å²	66.4	15%	0.149	36%	0.36	C	S	.	.			trans	-107.7	96.2	173.9	0	0	0	0	0	109.8	N132 G136 F163 F165 G169 N171	N132-A134 PolarHBondContact O-N 2.86Å; A134-G136 PolarHBondContact O-N 3.08Å; A134-F163 WeakPolarHBondContact O-CE2 3.47Å; A134-F165 VanDerWaalsContact O-CD2 3.24Å; A134-F165 WeakPolarHBondContact O-CD2 3.43Å; A134-G169 WeakPolarHBondContact CB-O 3.13Å; A134-N171 HydrophobicContact CB-CB 4.16Å
135	E	85.4	Confident	73.3	Confident	73 Å²	73	73.4 Å²	73.4	34%	0.341	40%	0.396	S	S	.	.			trans	-69.7	-16.8	-177.4	-66.8	173.1	176.8	0	0	113.6	K133 N137 F163 K166	K133-E135 HydrophobicContact CD-CG 4.35Å; K133-E135 WeakPolarHBondContact CE-OE1 3.29Å; K133-E135 HydrophobicContact CG-CG 4.5Å; E135-N137 PolarHBondContact OE2-ND2 3.16Å; E135-F163 HydrophobicContact CG-CD2 4.22Å; E135-K166 WeakPolarHBondContact O-CB 3.45Å; E135-K166 WeakPolarHBondContact O-CG 3.35Å; E135-K166 PolarHBondContact O-N 2.93Å
136	G	79.3	Confident	73.4	Confident	6 Å²	6	75 Å²	75	6%	0.062	41%	0.414	C	S	.	.			trans	83.7	45.9	-176.1	0	0	0	0	0	113.5	A134 F138 C139 K166 C168	A134-G136 PolarHBondContact O-N 3.08Å; G136-F138 PolarHBondContact O-N 2.76Å; G136-C139 PolarHBondContact O-SG 2.71Å; G136-K166 VanDerWaalsContact O-CD 3.32Å; G136-K166 WeakPolarHBondContact O-CD 3.11Å; G136-C168 WeakPolarHBondContact CA-O 2.98Å
137	N	72.7	Confident	74.2	Confident	94 Å²	94	77 Å²	77	50%	0.503	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.9	-176.6	-70.5	-32.9	0	0	0	114.8	E135 K166	E135-N137 PolarHBondContact OE2-ND2 3.16Å; N137-K166 PolarHBondContact OD1-NZ 3.22Å
138	F	69	Low	75.3	Confident	195 Å²	195	77.7 Å²	77.7	86%	0.855	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	29.4	-177.1	-57.5	-77.1	0	0	0	112.8	G136	G136-F138 PolarHBondContact O-N 2.76Å
139	C	67	Low	76	Confident	30 Å²	30	79.7 Å²	79.7	20%	0.203	45%	0.448	C	S	.	.			trans	-68.4	133.9	176.6	-56.1	0	0	0	0	111.5	G136 T144 C168	G136-C139 PolarHBondContact O-SG 2.71Å; C139-T144 HydrophobicContact CB-CG2 3.45Å; C139-T144 VanDerWaalsContact CB-CG2 3.45Å; C139-C168 WeakPolarHBondContact CA-SG 3.31Å; C139-C168 HydrophobicContact CB-CB 3.86Å; C139-C168 WeakPolarHBondContact CB-SG 3.5Å; C139-C168 PolarHBondContact N-SG 3.09Å; C139-C168 WeakPolarHBondContact SG-CB 3.29Å; C139-C168 CovalentContact SG-SG 1.99Å; C139-C168 PolarHBondContact SG-SG 2.66Å
140	H	68.9	Low	76.6	Confident	121 Å²	121	82.4 Å²	82.4	56%	0.56	46%	0.458	S	S	*	.			trans	-63.3	146.2	159.9	-71.4	-82.6	0	0	0	109.3	N142 Q143	H140-N142 PolarHBondContact O-N 3.24Å; H140-Q143 PolarHBondContact O-N 2.04Å
141	S	64.4	Low	77.3	Confident	102 Å²	102	81.9 Å²	81.9	71%	0.713	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-25.3	-177.5	56.1	0	0	0	0	114
142	N	66.4	Low	77.8	Confident	156 Å²	156	80.1 Å²	80.1	83%	0.834	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	2.9	-176.8	-60.1	2.3	0	0	0	113.3	H140	H140-N142 PolarHBondContact O-N 3.24Å
143	Q	62	Low	77.7	Confident	105 Å²	105	74.2 Å²	74.2	49%	0.491	40%	0.404	S	S	.	.	S	Bend	trans	-116.2	-1.7	-172.9	-154	172.7	26.6	0	0	113.6	H140 N145 C168	H140-Q143 PolarHBondContact O-N 2.04Å; Q143-N145 PolarHBondContact O-N 2.02Å; Q143-C168 HydrophobicContact CB-CB 4.45Å; Q143-C168 HydrophobicContact CG-CB 4.03Å
144	T	60.8	Low	77	Confident	69 Å²	69	71.8 Å²	71.8	42%	0.423	40%	0.395	S	S	.	.			trans	-89.6	104.5	177.7	54.1	0	0	0	0	110.3	C139 G146	C139-T144 HydrophobicContact CB-CG2 3.45Å; C139-T144 VanDerWaalsContact CB-CG2 3.45Å; T144-G146 PolarHBondContact O-N 3.43Å
145	N	62.6	Low	76.1	Confident	155 Å²	155	75.2 Å²	75.2	83%	0.829	41%	0.406	S	S	*	.			trans	-85.7	23.4	173.8	-76.9	-13.2	0	0	0	113	Q143	Q143-N145 PolarHBondContact O-N 2.02Å
146	G	72.5	Confident	75.2	Confident	40 Å²	40	79.2 Å²	79.2	41%	0.412	43%	0.425	S	S	.	.			trans	87.8	156.8	-168.6	0	0	0	0	0	112.7	T144	T144-G146 PolarHBondContact O-N 3.43Å
147	S	81.4	Confident	75	Confident	76 Å²	76	82.9 Å²	82.9	53%	0.531	45%	0.446	S	S	.	.			trans	-72	128.5	174.6	-64.7	0	0	0	0	110.2	F165	S147-F165 CarbonylContact C-O 3.57Å; S147-F165 WeakPolarHBondContact CA-O 3.21Å
148	V	89.8	Confident	74.7	Confident	66 Å²	66	82.9 Å²	82.9	40%	0.4	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.7	177	-177.7	0	0	0	0	108.9	R150 F165	V148-R150 PolarHBondContact O-N 2.85Å; V148-F165 PolarHBondContact N-O 3.04Å; V148-F165 PolarHBondContact O-N 2.04Å
149	S	93.2	Very high	75.1	Confident	45 Å²	45	75.7 Å²	75.7	32%	0.315	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	129.9	171.7	170.3	0	0	0	0	110.7	E162	S149-E162 WeakPolarHBondContact CB-OE1 2.99Å; S149-E162 VanDerWaalsContact OG-CG 3.27Å; S149-E162 WeakPolarHBondContact OG-CG 3.39Å; S149-E162 PolarHBondContact OG-OE1 3.31Å
150	R	94.8	Very high	75.9	Confident	59 Å²	59	75.2 Å²	75.2	22%	0.223	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	166.8	177.9	-63.1	-64.9	176.3	80.8	1.3	109.3	V148 E162 F163 F165 N174 F175	V148-R150 PolarHBondContact O-N 2.85Å; R150-E162 CarbonylContact O-C 3.55Å; R150-E162 VanDerWaalsContact O-CA 3.29Å; R150-E162 WeakPolarHBondContact O-CA 3.04Å; R150-F163 HydrophobicContact CB-CD1 4.07Å; R150-F163 HydrophobicContact CB-CE1 3.52Å; R150-F163 HydrophobicContact CB-CZ 3.88Å; R150-F163 PolarHBondContact N-O 2.87Å; R150-F163 WeakPolarHBondContact O-CD1 3.15Å; R150-F163 PolarHBondContact O-N 3.44Å; R150-F165 HydrophobicContact CB-CB 4.27Å; R150-F165 HydrophobicContact CG-CB 3.66Å; R150-F165 HydrophobicContact CG-CD1 4.34Å; R150-F165 HydrophobicContact CG-CG 4.33Å; R150-N174 WeakPolarHBondContact CB-OD1 3.33Å; R150-N174 VanDerWaalsContact CD-OD1 3.31Å; R150-N174 WeakPolarHBondContact CD-OD1 3.11Å; R150-N174 WeakPolarHBondContact CG-OD1 3.05Å; R150-N174 PolarHBondContact NH1-OD1 3.12Å; R150-F175 CarbonylContact C-O 3.56Å; R150-F175 WeakPolarHBondContact CA-O 3.18Å
151	F	92.3	Very high	76.9	Confident	41 Å²	41	71.9 Å²	71.9	18%	0.18	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.5	173.4	-66.4	-95.2	0	0	0	109.6	V161 E162 F175 T177 S178 C181	F151-V161 WeakPolarHBondContact CA-O 3.22Å; F151-E162 HydrophobicContact CD1-CB 4.18Å; F151-E162 HydrophobicContact CE1-CB 3.83Å; F151-E162 HydrophobicContact CE1-CG 4.32Å; F151-E162 HydrophobicContact CZ-CB 4.26Å; F151-E162 HydrophobicContact CZ-CG 4.25Å; F151-F175 HydrophobicContact CB-CB 4.31Å; F151-F175 PolarHBondContact N-O 2.7Å; F151-F175 WeakPolarHBondContact O-CD2 2.92Å; F151-F175 PolarHBondContact O-N 3.29Å; F151-T177 VanDerWaalsContact CD2-C 3.43Å; F151-S178 VanDerWaalsContact CD2-N 3.28Å; F151-C181 HydrophobicContact CB-CB 4.04Å
152	Y	90.8	Very high	78.4	Confident	24 Å²	24	72.1 Å²	72.1	9%	0.094	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.1	166	80	-71.8	0	0	0	108.4	K133 D154 C160 V161 F163 N173	K133-Y152 HydrophobicContact CB-CD1 3.74Å; K133-Y152 HydrophobicContact CB-CD2 3.74Å; K133-Y152 HydrophobicContact CB-CE1 4Å; K133-Y152 HydrophobicContact CB-CE2 3.97Å; K133-Y152 HydrophobicContact CB-CG 3.61Å; K133-Y152 HydrophobicContact CD-CD1 4.28Å; K133-Y152 HydrophobicContact CD-CE1 3.81Å; K133-Y152 HydrophobicContact CG-CE1 4.33Å; K133-Y152 HydrophobicContact CG-CE2 4.37Å; Y152-D154 HydrophobicContact CE2-CB 3.94Å; Y152-C160 CarbonylContact O-C 3.58Å; Y152-C160 WeakPolarHBondContact O-CA 3.3Å; Y152-V161 HydrophobicContact CD1-CB 4.25Å; Y152-V161 WeakPolarHBondContact CD1-O 3.4Å; Y152-V161 HydrophobicContact CE1-CB 3.67Å; Y152-V161 HydrophobicContact CE1-CG1 3.99Å; Y152-V161 PolarHBondContact N-O 2.9Å; Y152-V161 PolarHBondContact O-N 2.83Å; Y152-F163 HydrophobicContact CD1-CB 4.2Å; Y152-F163 AromaticContact CD1-CD1 3.7Å; Y152-F163 HydrophobicContact CD1-CD1 3.7Å; Y152-F163 HydrophobicContact CD1-CE1 4.41Å; Y152-F163 HydrophobicContact CD1-CG 4.16Å; Y152-F163 HydrophobicContact CE1-CB 4.39Å; Y152-F163 HydrophobicContact CG-CD1 4.28Å; Y152-N173 WeakPolarHBondContact CA-OD1 3.49Å; Y152-N173 VanDerWaalsContact CB-O 3.24Å; Y152-N173 WeakPolarHBondContact CB-O 3Å
153	F	81.3	Confident	79.7	Confident	1 Å²	1	65.3 Å²	65.3	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	116.9	171.3	-172	-99.2	0	0	0	109.2	C129 F155 R158 N173 C185	C129-F153 HydrophobicContact CB-CB 4.18Å; C129-F153 HydrophobicContact CB-CD1 3.76Å; C129-F153 HydrophobicContact CB-CE1 4.43Å; C129-F153 HydrophobicContact CB-CG 4.16Å; C129-F153 WeakPolarHBondContact O-CD1 2.99Å; F153-F155 PolarHBondContact O-N 2.94Å; F153-R158 HydrophobicContact CZ-CB 4.23Å; F153-N173 PolarHBondContact N-OD1 3.32Å; F153-N173 PolarHBondContact O-ND2 3.07Å; F153-C185 HydrophobicContact CB-CB 3.72Å; F153-C185 WeakPolarHBondContact CB-SG 3.14Å; F153-C185 HydrophobicContact CD1-CB 4.03Å; F153-C185 HydrophobicContact CD2-CB 3.3Å; F153-C185 HydrophobicContact CE1-CB 4.44Å; F153-C185 HydrophobicContact CE2-CB 3.81Å; F153-C185 HydrophobicContact CG-CB 3.41Å; F153-C185 VanDerWaalsContact CG-CB 3.41Å; F153-C185 HydrophobicContact CZ-CB 4.34Å
154	D	76.4	Confident	81.2	Confident	31 Å²	31	65.1 Å²	65.1	17%	0.166	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	109.7	168.1	-176.5	-18.6	0	0	0	108.2	Y152 H156 T157 R158 S159 V161	Y152-D154 HydrophobicContact CE2-CB 3.94Å; D154-H156 PolarHBondContact O-N 2.85Å; D154-H156 WeakPolarHBondContact OD1-CB 3.28Å; D154-H156 IonicContact OD1-CG 3.84Å; D154-H156 PolarHBondContact OD1-N 2.85Å; D154-H156 IonicContact OD1-ND1 3.43Å; D154-H156 PolarHBondContact OD1-ND1 3.06Å; D154-T157 VanDerWaalsContact CB-OG1 3.28Å; D154-T157 WeakPolarHBondContact CB-OG1 3.46Å; D154-T157 VanDerWaalsContact CG-OG1 3.3Å; D154-T157 PolarHBondContact OD1-N 3.1Å; D154-R158 VanDerWaalsContact O-CA 3.3Å; D154-R158 WeakPolarHBondContact O-CA 3.08Å; D154-R158 PolarHBondContact O-N 3.02Å; D154-S159 PolarHBondContact N-O 2.72Å; D154-S159 PolarHBondContact O-N 3.02Å; D154-V161 HydrophobicContact CB-CG2 4.01Å
155	F	67.4	Low	82.6	Confident	90 Å²	90	62.1 Å²	62.1	40%	0.395	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.5	-179.2	-178.2	-96.5	0	0	0	113.1	A130 F153 R158	A130-F155 HydrophobicContact CB-CD2 4.34Å; F153-F155 PolarHBondContact O-N 2.94Å; F155-R158 VanDerWaalsContact O-CD 3.24Å; F155-R158 WeakPolarHBondContact O-CD 2.93Å; F155-R158 PolarHBondContact O-NE 3.33Å
156	H	66.5	Low	83.7	Confident	158 Å²	158	58.6 Å²	58.6	73%	0.731	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-44.4	-177.1	-57.4	88.1	0	0	0	111.2	D154	D154-H156 PolarHBondContact O-N 2.85Å; D154-H156 WeakPolarHBondContact OD1-CB 3.28Å; D154-H156 IonicContact OD1-CG 3.84Å; D154-H156 PolarHBondContact OD1-N 2.85Å; D154-H156 IonicContact OD1-ND1 3.43Å; D154-H156 PolarHBondContact OD1-ND1 3.06Å
157	T	74.2	Confident	84	Confident	83 Å²	83	58.3 Å²	58.3	51%	0.509	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-10	179	62	0	0	0	0	113	D154 S159	D154-T157 VanDerWaalsContact CB-OG1 3.28Å; D154-T157 WeakPolarHBondContact CB-OG1 3.46Å; D154-T157 VanDerWaalsContact CG-OG1 3.3Å; D154-T157 PolarHBondContact OD1-N 3.1Å; T157-S159 WeakPolarHBondContact CB-OG 2.98Å; T157-S159 PolarHBondContact O-N 3.46Å; T157-S159 PolarHBondContact OG1-OG 2.49Å
158	R	67.6	Low	83.9	Confident	94 Å²	94	55 Å²	55	36%	0.355	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	37	-175.3	-59.4	-65.9	-175.1	145.5	5.6	112.7	F153 D154 F155 F188	F153-R158 HydrophobicContact CZ-CB 4.23Å; D154-R158 VanDerWaalsContact O-CA 3.3Å; D154-R158 WeakPolarHBondContact O-CA 3.08Å; D154-R158 PolarHBondContact O-N 3.02Å; F155-R158 VanDerWaalsContact O-CD 3.24Å; F155-R158 WeakPolarHBondContact O-CD 2.93Å; F155-R158 PolarHBondContact O-NE 3.33Å; R158-F188 PolarHBondContact NH1-O 3.19Å
159	S	76.2	Confident	83.1	Confident	44 Å²	44	54.7 Å²	54.7	31%	0.308	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.9	-176.2	63.5	0	0	0	0	112	D154 T157	D154-S159 PolarHBondContact N-O 2.72Å; D154-S159 PolarHBondContact O-N 3.02Å; T157-S159 WeakPolarHBondContact CB-OG 2.98Å; T157-S159 PolarHBondContact O-N 3.46Å; T157-S159 PolarHBondContact OG1-OG 2.49Å
160	C	84.1	Confident	82.4	Confident	19 Å²	19	58 Å²	58	13%	0.128	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.8	172.8	-71.9	0	0	0	0	109.7	Y152 C181 L182	Y152-C160 CarbonylContact O-C 3.58Å; Y152-C160 WeakPolarHBondContact O-CA 3.3Å; C160-C181 HydrophobicContact CB-CB 3.7Å; C160-C181 WeakPolarHBondContact CB-SG 3.12Å; C160-C181 WeakPolarHBondContact SG-CB 3.07Å; C160-C181 CovalentContact SG-SG 2.03Å; C160-C181 PolarHBondContact SG-SG 2.67Å; C160-L182 HydrophobicContact CB-CD2 4.21Å; C160-L182 HydrophobicContact CB-CG 4.14Å; C160-L182 PolarHBondContact SG-N 3.06Å
161	V	90.7	Very high	81.9	Confident	52 Å²	52	57.4 Å²	57.4	32%	0.315	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.3	-175.2	-177.5	0	0	0	0	109	F151 Y152 D154	F151-V161 WeakPolarHBondContact CA-O 3.22Å; Y152-V161 HydrophobicContact CD1-CB 4.25Å; Y152-V161 WeakPolarHBondContact CD1-O 3.4Å; Y152-V161 HydrophobicContact CE1-CB 3.67Å; Y152-V161 HydrophobicContact CE1-CG1 3.99Å; Y152-V161 PolarHBondContact N-O 2.9Å; Y152-V161 PolarHBondContact O-N 2.83Å; D154-V161 HydrophobicContact CB-CG2 4.01Å
162	E	96.3	Very high	81.5	Confident	107 Å²	107	56 Å²	56	50%	0.5	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.9	176.4	-168.3	-178.7	168.5	0	0	111	S149 R150 F151	S149-E162 WeakPolarHBondContact CB-OE1 2.99Å; S149-E162 VanDerWaalsContact OG-CG 3.27Å; S149-E162 WeakPolarHBondContact OG-CG 3.39Å; S149-E162 PolarHBondContact OG-OE1 3.31Å; R150-E162 CarbonylContact O-C 3.55Å; R150-E162 VanDerWaalsContact O-CA 3.29Å; R150-E162 WeakPolarHBondContact O-CA 3.04Å; F151-E162 HydrophobicContact CD1-CB 4.18Å; F151-E162 HydrophobicContact CE1-CB 3.83Å; F151-E162 HydrophobicContact CE1-CG 4.32Å; F151-E162 HydrophobicContact CZ-CB 4.26Å; F151-E162 HydrophobicContact CZ-CG 4.25Å
163	F	93.7	Very high	81.2	Confident	12 Å²	12	54.8 Å²	54.8	5%	0.053	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.7	173.3	79.8	-74.5	0	0	0	111.6	K133 A134 E135 R150 Y152 F165 N174	K133-F163 HydrophobicContact CB-CD1 4.44Å; K133-F163 HydrophobicContact CB-CD2 4.09Å; K133-F163 HydrophobicContact CB-CE2 4.34Å; K133-F163 HydrophobicContact CB-CG 4.14Å; K133-F163 HydrophobicContact CD-CB 3.83Å; K133-F163 HydrophobicContact CD-CD2 4.31Å; K133-F163 HydrophobicContact CD-CG 4.18Å; A134-F163 WeakPolarHBondContact O-CE2 3.47Å; E135-F163 HydrophobicContact CG-CD2 4.22Å; R150-F163 HydrophobicContact CB-CD1 4.07Å; R150-F163 HydrophobicContact CB-CE1 3.52Å; R150-F163 HydrophobicContact CB-CZ 3.88Å; R150-F163 PolarHBondContact N-O 2.87Å; R150-F163 WeakPolarHBondContact O-CD1 3.15Å; R150-F163 PolarHBondContact O-N 3.44Å; Y152-F163 HydrophobicContact CD1-CB 4.2Å; Y152-F163 AromaticContact CD1-CD1 3.7Å; Y152-F163 HydrophobicContact CD1-CD1 3.7Å; Y152-F163 HydrophobicContact CD1-CE1 4.41Å; Y152-F163 HydrophobicContact CD1-CG 4.16Å; Y152-F163 HydrophobicContact CE1-CB 4.39Å; Y152-F163 HydrophobicContact CG-CD1 4.28Å; F163-F165 HydrophobicContact CE2-CB 3.86Å; F163-F165 HydrophobicContact CE2-CD2 4.32Å; F163-F165 HydrophobicContact CZ-CB 4.18Å; F163-N174 HydrophobicContact CZ-CB 4.4Å
164	Q	92.9	Very high	81.6	Confident	102 Å²	102	55.1 Å²	55.1	48%	0.477	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.8	177.9	-65.6	-62.4	-31.9	0	0	110.6
165	F	89.5	Confident	82.2	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.7	178.2	177.5	-120.9	0	0	0	111.1	A134 S147 V148 R150 F163 G167 C168 E170 N174	A134-F165 VanDerWaalsContact O-CD2 3.24Å; A134-F165 WeakPolarHBondContact O-CD2 3.43Å; S147-F165 CarbonylContact C-O 3.57Å; S147-F165 WeakPolarHBondContact CA-O 3.21Å; V148-F165 PolarHBondContact N-O 3.04Å; V148-F165 PolarHBondContact O-N 2.04Å; R150-F165 HydrophobicContact CB-CB 4.27Å; R150-F165 HydrophobicContact CG-CB 3.66Å; R150-F165 HydrophobicContact CG-CD1 4.34Å; R150-F165 HydrophobicContact CG-CG 4.33Å; F163-F165 HydrophobicContact CE2-CB 3.86Å; F163-F165 HydrophobicContact CE2-CD2 4.32Å; F163-F165 HydrophobicContact CZ-CB 4.18Å; F165-G167 VanDerWaalsContact CZ-C 3.48Å; F165-G167 PolarHBondContact O-N 3.36Å; F165-C168 WeakPolarHBondContact CE2-O 3.37Å; F165-C168 VanDerWaalsContact CZ-N 3.31Å; F165-C168 WeakPolarHBondContact CZ-O 3.04Å; F165-E170 HydrophobicContact CE1-CB 4.34Å; F165-E170 HydrophobicContact CE2-CB 3.71Å; F165-E170 HydrophobicContact CZ-CB 3.51Å; F165-E170 HydrophobicContact CZ-CG 4.19Å; F165-N174 WeakPolarHBondContact CG-ND2 3.39Å
166	K	85.4	Confident	83.2	Confident	81 Å²	81	55.6 Å²	55.6	35%	0.352	30%	0.3	S	S	.	.			trans	-73.8	-3.4	-175.1	-69.3	172	175.3	173.4	0	115.2	E135 G136 N137	E135-K166 WeakPolarHBondContact O-CB 3.45Å; E135-K166 WeakPolarHBondContact O-CG 3.35Å; E135-K166 PolarHBondContact O-N 2.93Å; G136-K166 VanDerWaalsContact O-CD 3.32Å; G136-K166 WeakPolarHBondContact O-CD 3.11Å; N137-K166 PolarHBondContact OD1-NZ 3.22Å
167	G	79.2	Confident	84.2	Confident	33 Å²	33	50.5 Å²	50.5	34%	0.34	28%	0.28	S	S	.	.	S	Bend	trans	98.5	1	176.1	0	0	0	0	0	115.6	F165	F165-G167 VanDerWaalsContact CZ-C 3.48Å; F165-G167 PolarHBondContact O-N 3.36Å
168	C	78.8	Confident	84.8	Confident	8 Å²	8	48.6 Å²	48.6	5%	0.054	27%	0.27	C	S	.	.	S	Bend	trans	-140.2	165.7	176.2	87	0	0	0	0	111.8	G136 C139 Q143 F165 E170	G136-C168 WeakPolarHBondContact CA-O 2.98Å; C139-C168 WeakPolarHBondContact CA-SG 3.31Å; C139-C168 HydrophobicContact CB-CB 3.86Å; C139-C168 WeakPolarHBondContact CB-SG 3.5Å; C139-C168 PolarHBondContact N-SG 3.09Å; C139-C168 WeakPolarHBondContact SG-CB 3.29Å; C139-C168 CovalentContact SG-SG 1.99Å; C139-C168 PolarHBondContact SG-SG 2.66Å; Q143-C168 HydrophobicContact CB-CB 4.45Å; Q143-C168 HydrophobicContact CG-CB 4.03Å; F165-C168 WeakPolarHBondContact CE2-O 3.37Å; F165-C168 VanDerWaalsContact CZ-N 3.31Å; F165-C168 WeakPolarHBondContact CZ-O 3.04Å; C168-E170 PolarHBondContact O-N 3.13Å
169	G	75	Confident	85.2	Confident	59 Å²	59	51 Å²	51	61%	0.608	29%	0.286	S	S	*	.	S	Bend	trans	62	30.1	171.5	0	0	0	0	0	113	A134	A134-G169 WeakPolarHBondContact CB-O 3.13Å
170	E	78.1	Confident	85.3	Confident	114 Å²	114	53.9 Å²	53.9	53%	0.533	29%	0.292	S	S	.	.			trans	-62.3	150.8	173.6	56.1	-178	-170.5	0	0	110.8	F165 C168	F165-E170 HydrophobicContact CE1-CB 4.34Å; F165-E170 HydrophobicContact CE2-CB 3.71Å; F165-E170 HydrophobicContact CZ-CB 3.51Å; F165-E170 HydrophobicContact CZ-CG 4.19Å; C168-E170 PolarHBondContact O-N 3.13Å
171	N	83.3	Confident	85.2	Confident	46 Å²	46	53 Å²	53	25%	0.246	29%	0.286	C	S	.	.			trans	-108.3	179	160.1	67.5	21.1	0	0	0	109.2	L131 N132 A134 N173	L131-N171 HydrophobicContact CD1-CB 4.02Å; N132-N171 PolarHBondContact O-ND2 3.36Å; A134-N171 HydrophobicContact CB-CB 4.16Å; N171-N173 PolarHBondContact O-N 3.03Å; N171-N173 WeakPolarHBondContact OD1-CA 3.05Å; N171-N173 WeakPolarHBondContact OD1-CB 3.06Å; N171-N173 PolarHBondContact OD1-N 3.42Å
172	G	84.1	Confident	84.4	Confident	11 Å²	11	53.8 Å²	53.8	11%	0.113	29%	0.289	C	S	.	.	S	Bend	trans	-64.4	-20.2	-178.7	0	0	0	0	0	114.4	I128 N174	I128-G172 WeakPolarHBondContact CG2-O 3.32Å; G172-N174 PolarHBondContact O-N 3.46Å
173	N	85.2	Confident	83.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.			trans	-83.9	57.8	178.7	-159.3	-1.6	0	0	0	111.2	I128 L131 Y152 F153 N171 F175	I128-N173 VanDerWaalsContact O-CB 3.29Å; I128-N173 WeakPolarHBondContact O-CB 3.31Å; L131-N173 HydrophobicContact CB-CB 4.04Å; L131-N173 PolarHBondContact O-ND2 3.33Å; Y152-N173 WeakPolarHBondContact CA-OD1 3.49Å; Y152-N173 VanDerWaalsContact CB-O 3.24Å; Y152-N173 WeakPolarHBondContact CB-O 3Å; F153-N173 PolarHBondContact N-OD1 3.32Å; F153-N173 PolarHBondContact O-ND2 3.07Å; N171-N173 PolarHBondContact O-N 3.03Å; N171-N173 WeakPolarHBondContact OD1-CA 3.05Å; N171-N173 WeakPolarHBondContact OD1-CB 3.06Å; N171-N173 PolarHBondContact OD1-N 3.42Å; N173-F175 VanDerWaalsContact OD1-CE2 3.27Å; N173-F175 WeakPolarHBondContact OD1-CE2 3.34Å
174	N	89.9	Confident	82	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.037	28%	0.28	C	S	.	.			trans	-142.7	116.2	-178.6	-174.6	-31.7	0	0	0	107.7	K82 R150 F163 F165 G172	K82-N174 PolarHBondContact NZ-O 3.14Å; R150-N174 WeakPolarHBondContact CB-OD1 3.33Å; R150-N174 VanDerWaalsContact CD-OD1 3.31Å; R150-N174 WeakPolarHBondContact CD-OD1 3.11Å; R150-N174 WeakPolarHBondContact CG-OD1 3.05Å; R150-N174 PolarHBondContact NH1-OD1 3.12Å; F163-N174 HydrophobicContact CZ-CB 4.4Å; F165-N174 WeakPolarHBondContact CG-ND2 3.39Å; G172-N174 PolarHBondContact O-N 3.46Å
175	F	88.3	Confident	80.9	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.018	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-127.2	144.5	-174.9	-55	-85.2	0	0	0	110.4	K82 R150 F151 N173 K180 C181 F184	K82-F175 HydrophobicContact CD-CE1 4.26Å; K82-F175 VanDerWaalsContact CE-CE1 3.5Å; K82-F175 HydrophobicContact CG-CE1 4.41Å; R150-F175 CarbonylContact C-O 3.56Å; R150-F175 WeakPolarHBondContact CA-O 3.18Å; F151-F175 HydrophobicContact CB-CB 4.31Å; F151-F175 PolarHBondContact N-O 2.7Å; F151-F175 WeakPolarHBondContact O-CD2 2.92Å; F151-F175 PolarHBondContact O-N 3.29Å; N173-F175 VanDerWaalsContact OD1-CE2 3.27Å; N173-F175 WeakPolarHBondContact OD1-CE2 3.34Å; F175-K180 HydrophobicContact CB-CB 4.45Å; F175-K180 HydrophobicContact CD1-CB 4.49Å; F175-C181 HydrophobicContact CB-CB 3.75Å; F175-C181 HydrophobicContact CD1-CB 4.34Å; F175-C181 HydrophobicContact CD2-CB 3.41Å; F175-C181 VanDerWaalsContact CD2-CB 3.41Å; F175-C181 HydrophobicContact CE2-CB 4.06Å; F175-C181 VanDerWaalsContact CG-CA 3.48Å; F175-C181 HydrophobicContact CG-CB 3.58Å; F175-F184 HydrophobicContact CD1-CB 4.4Å; F175-F184 HydrophobicContact CE1-CB 3.48Å; F175-F184 VanDerWaalsContact CE1-CB 3.48Å; F175-F184 AromaticContact CE1-CD1 3.68Å; F175-F184 HydrophobicContact CE1-CD1 3.68Å; F175-F184 HydrophobicContact CE1-CD2 4.5Å; F175-F184 AromaticContact CE1-CG 3.64Å; F175-F184 HydrophobicContact CE1-CG 3.64Å; F175-F184 HydrophobicContact CZ-CB 3.9Å; F175-F184 AromaticContact CZ-CD1 3.42Å; F175-F184 HydrophobicContact CZ-CD1 3.42Å; F175-F184 VanDerWaalsContact CZ-CD1 3.42Å; F175-F184 HydrophobicContact CZ-CE1 4.18Å; F175-F184 AromaticContact CZ-CG 3.88Å; F175-F184 HydrophobicContact CZ-CG 3.88Å
176	E	88.3	Confident	79.4	Confident	128 Å²	128	49.2 Å²	49.2	60%	0.598	27%	0.271	S	S	*	.	S	Bend	trans	-72.8	-30.1	179.2	-172	179.8	-160.6	0	0	112.6	K180	E176-K180 HydrophobicContact CB-CD 4.33Å; E176-K180 IonicContact OE2-NZ 2.63Å; E176-K180 PolarHBondContact OE2-NZ 2.97Å
177	T	87.3	Confident	77.6	Confident	51 Å²	51	47.8 Å²	47.8	31%	0.313	28%	0.279	S	S	.	.	S	Bend	trans	-137.3	152.2	-179.7	69.8	0	0	0	0	111.1	F151 E179 K180 C181	F151-T177 VanDerWaalsContact CD2-C 3.43Å; T177-E179 PolarHBondContact O-N 3.21Å; T177-K180 PolarHBondContact O-N 3.03Å; T177-K180 VanDerWaalsContact O-N 3.17Å; T177-K180 WeakPolarHBondContact OG1-CG 3.44Å; T177-K180 PolarHBondContact OG1-N 3.08Å; T177-K180 VanDerWaalsContact OG1-N 3.16Å; T177-C181 PolarHBondContact O-N 3.49Å
178	S	86.5	Confident	76	Confident	42 Å²	42	49 Å²	49	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-39.4	173.8	-174.3	0	0	0	0	111.7	F151 K180 C181 L182	F151-S178 VanDerWaalsContact CD2-N 3.28Å; S178-K180 PolarHBondContact O-N 3.07Å; S178-C181 WeakPolarHBondContact O-CB 2.98Å; S178-C181 PolarHBondContact O-N 3.32Å; S178-L182 WeakPolarHBondContact O-CG 3.48Å; S178-L182 PolarHBondContact O-N 3.33Å
179	E	76.2	Confident	73.9	Confident	146 Å²	146	53.2 Å²	53.2	68%	0.682	30%	0.296	S	S	*	.	H	α-helix	trans	-59.1	-45.8	175.4	-170.9	-167.1	162.8	0	0	112.1	T177 C181 L182 K183	T177-E179 PolarHBondContact O-N 3.21Å; E179-C181 VanDerWaalsContact C-N 3.32Å; E179-C181 PolarHBondContact O-N 3.33Å; E179-L182 PolarHBondContact O-N 2.63Å; E179-K183 WeakPolarHBondContact O-CB 3.47Å; E179-K183 PolarHBondContact O-N 3.44Å
180	K	78	Confident	71.7	Confident	103 Å²	103	52.1 Å²	52.1	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-38.7	176.5	-74.3	176.4	-174.6	-177.2	0	111.7	F175 E176 T177 S178 F184	F175-K180 HydrophobicContact CB-CB 4.45Å; F175-K180 HydrophobicContact CD1-CB 4.49Å; E176-K180 HydrophobicContact CB-CD 4.33Å; E176-K180 IonicContact OE2-NZ 2.63Å; E176-K180 PolarHBondContact OE2-NZ 2.97Å; T177-K180 PolarHBondContact O-N 3.03Å; T177-K180 VanDerWaalsContact O-N 3.17Å; T177-K180 WeakPolarHBondContact OG1-CG 3.44Å; T177-K180 PolarHBondContact OG1-N 3.08Å; T177-K180 VanDerWaalsContact OG1-N 3.16Å; S178-K180 PolarHBondContact O-N 3.07Å; K180-F184 WeakPolarHBondContact O-CB 3.12Å; K180-F184 PolarHBondContact O-N 3.49Å
181	C	82	Confident	69.3	Low	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-52.2	176.1	172.7	0	0	0	0	111.5	F151 C160 F175 T177 S178 E179 K183 F184 C185	F151-C181 HydrophobicContact CB-CB 4.04Å; C160-C181 HydrophobicContact CB-CB 3.7Å; C160-C181 WeakPolarHBondContact CB-SG 3.12Å; C160-C181 WeakPolarHBondContact SG-CB 3.07Å; C160-C181 CovalentContact SG-SG 2.03Å; C160-C181 PolarHBondContact SG-SG 2.67Å; F175-C181 HydrophobicContact CB-CB 3.75Å; F175-C181 HydrophobicContact CD1-CB 4.34Å; F175-C181 HydrophobicContact CD2-CB 3.41Å; F175-C181 VanDerWaalsContact CD2-CB 3.41Å; F175-C181 HydrophobicContact CE2-CB 4.06Å; F175-C181 VanDerWaalsContact CG-CA 3.48Å; F175-C181 HydrophobicContact CG-CB 3.58Å; T177-C181 PolarHBondContact O-N 3.49Å; S178-C181 WeakPolarHBondContact O-CB 2.98Å; S178-C181 PolarHBondContact O-N 3.32Å; E179-C181 VanDerWaalsContact C-N 3.32Å; E179-C181 PolarHBondContact O-N 3.33Å; C181-K183 PolarHBondContact O-N 2.89Å; C181-F184 PolarHBondContact O-N 3.43Å; C181-C185 WeakPolarHBondContact O-CB 3.05Å; C181-C185 PolarHBondContact O-N 2.94Å
182	L	74.3	Confident	66.7	Low	70 Å²	70	55.3 Å²	55.3	37%	0.366	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-49.1	177.9	-71.7	172.6	0	0	0	109.1	C160 S178 E179 F184 C185 S186 Y228	C160-L182 HydrophobicContact CB-CD2 4.21Å; C160-L182 HydrophobicContact CB-CG 4.14Å; C160-L182 PolarHBondContact SG-N 3.06Å; S178-L182 WeakPolarHBondContact O-CG 3.48Å; S178-L182 PolarHBondContact O-N 3.33Å; E179-L182 PolarHBondContact O-N 2.63Å; L182-F184 VanDerWaalsContact C-N 3.25Å; L182-F184 PolarHBondContact O-N 2.99Å; L182-F184 VanDerWaalsContact O-N 3.16Å; L182-C185 PolarHBondContact O-N 3.12Å; L182-C185 VanDerWaalsContact O-N 3.08Å; L182-S186 VanDerWaalsContact O-CB 3.3Å; L182-S186 WeakPolarHBondContact O-CB 3.44Å; L182-S186 PolarHBondContact O-N 2.65Å; L182-S186 PolarHBondContact O-OG 3.16Å; L182-Y228 PolarHBondContact O-OH 2.6Å; L182-Y228 VanDerWaalsContact O-OH 3.09Å
183	K	69.6	Low	63.9	Low	83 Å²	83	65.3 Å²	65.3	36%	0.361	35%	0.348	S	S	.	.	H	α-helix	trans	-52.8	-44	176.5	-166.5	178	-171.5	165.6	0	111.8	E179 C181 G225 Y228	E179-K183 WeakPolarHBondContact O-CB 3.47Å; E179-K183 PolarHBondContact O-N 3.44Å; C181-K183 PolarHBondContact O-N 2.89Å; K183-G225 VanDerWaalsContact CE-CA 3.42Å; K183-Y228 WeakPolarHBondContact CA-OH 3.1Å; K183-Y228 HydrophobicContact CB-CE2 4.15Å; K183-Y228 HydrophobicContact CG-CD2 4.01Å; K183-Y228 HydrophobicContact CG-CE2 3.54Å; K183-Y228 WeakPolarHBondContact O-CE2 3.45Å; K183-Y228 VanDerWaalsContact O-CZ 3.23Å; K183-Y228 PolarHBondContact O-OH 3.39Å
184	F	69.7	Low	61.2	Low	4 Å²	4	69.2 Å²	69.2	2%	0.018	38%	0.376	C	S	.	.	H	α-helix	trans	-75.1	-36.7	178.5	-174.8	-89.8	0	0	0	113.6	F81 K82 A125 I128 C129 F175 K180 C181 L182 M227	F81-F184 AromaticContact CD1-CD2 3.78Å; F81-F184 HydrophobicContact CD1-CD2 3.78Å; F81-F184 AromaticContact CD1-CE2 3.77Å; F81-F184 HydrophobicContact CD1-CE2 3.77Å; F81-F184 AromaticContact CE1-CD2 3.68Å; F81-F184 HydrophobicContact CE1-CD2 3.68Å; F81-F184 HydrophobicContact CE1-CE2 4.16Å; K82-F184 HydrophobicContact CB-CD2 4.44Å; K82-F184 HydrophobicContact CB-CE1 4.19Å; K82-F184 HydrophobicContact CB-CE2 3.61Å; K82-F184 HydrophobicContact CB-CZ 3.44Å; K82-F184 VanDerWaalsContact CB-CZ 3.44Å; K82-F184 HydrophobicContact CG-CD1 4.46Å; K82-F184 HydrophobicContact CG-CD2 3.75Å; K82-F184 HydrophobicContact CG-CE1 4.14Å; K82-F184 HydrophobicContact CG-CE2 3.41Å; K82-F184 VanDerWaalsContact CG-CE2 3.41Å; K82-F184 HydrophobicContact CG-CG 4.29Å; K82-F184 HydrophobicContact CG-CZ 3.61Å; A125-F184 HydrophobicContact CB-CD1 3.94Å; A125-F184 HydrophobicContact CB-CE1 3.35Å; A125-F184 HydrophobicContact CB-CE2 4.02Å; A125-F184 HydrophobicContact CB-CZ 3.4Å; I128-F184 HydrophobicContact CB-CE1 3.66Å; I128-F184 HydrophobicContact CB-CZ 4.01Å; I128-F184 HydrophobicContact CG1-CE1 4.35Å; I128-F184 HydrophobicContact CG1-CZ 4.18Å; I128-F184 HydrophobicContact CG2-CD1 4.41Å; I128-F184 HydrophobicContact CG2-CE1 3.47Å; I128-F184 VanDerWaalsContact CG2-CE1 3.47Å; I128-F184 HydrophobicContact CG2-CZ 4.01Å; C129-F184 VanDerWaalsContact SG-CD1 3.51Å; F175-F184 HydrophobicContact CD1-CB 4.4Å; F175-F184 HydrophobicContact CE1-CB 3.48Å; F175-F184 VanDerWaalsContact CE1-CB 3.48Å; F175-F184 AromaticContact CE1-CD1 3.68Å; F175-F184 HydrophobicContact CE1-CD1 3.68Å; F175-F184 HydrophobicContact CE1-CD2 4.5Å; F175-F184 AromaticContact CE1-CG 3.64Å; F175-F184 HydrophobicContact CE1-CG 3.64Å; F175-F184 HydrophobicContact CZ-CB 3.9Å; F175-F184 AromaticContact CZ-CD1 3.42Å; F175-F184 HydrophobicContact CZ-CD1 3.42Å; F175-F184 VanDerWaalsContact CZ-CD1 3.42Å; F175-F184 HydrophobicContact CZ-CE1 4.18Å; F175-F184 AromaticContact CZ-CG 3.88Å; F175-F184 HydrophobicContact CZ-CG 3.88Å; K180-F184 WeakPolarHBondContact O-CB 3.12Å; K180-F184 PolarHBondContact O-N 3.49Å; C181-F184 PolarHBondContact O-N 3.43Å; L182-F184 VanDerWaalsContact C-N 3.25Å; L182-F184 PolarHBondContact O-N 2.99Å; L182-F184 VanDerWaalsContact O-N 3.16Å; F184-M227 HydrophobicContact CB-CE 4.33Å; F184-M227 HydrophobicContact CB-SD 4.18Å; F184-M227 HydrophobicContact CD2-CE 3.47Å; F184-M227 VanDerWaalsContact CD2-CE 3.47Å; F184-M227 HydrophobicContact CD2-SD 3.22Å; F184-M227 WeakPolarHBondContact CD2-SD 3.03Å; F184-M227 HydrophobicContact CE2-CE 3.78Å; F184-M227 HydrophobicContact CE2-SD 3.84Å; F184-M227 HydrophobicContact CG-CE 3.89Å; F184-M227 HydrophobicContact CG-SD 3.96Å; F184-M227 HydrophobicContact CZ-CE 4.49Å; F184-M227 WeakPolarHBondContact O-CE 3.42Å
185	C	69.8	Low	58.3	Low	0 Å²	0	76.6 Å²	76.6	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-105.3	-19.6	-168.9	-65.9	0	0	0	0	116.5	C129 F153 C181 L182 G187 F188	C129-C185 HydrophobicContact CB-CB 3.72Å; C129-C185 WeakPolarHBondContact CB-SG 3.46Å; C129-C185 WeakPolarHBondContact SG-CA 3.46Å; C129-C185 WeakPolarHBondContact SG-CB 2.98Å; C129-C185 CovalentContact SG-SG 2.03Å; C129-C185 PolarHBondContact SG-SG 3.05Å; F153-C185 HydrophobicContact CB-CB 3.72Å; F153-C185 WeakPolarHBondContact CB-SG 3.14Å; F153-C185 HydrophobicContact CD1-CB 4.03Å; F153-C185 HydrophobicContact CD2-CB 3.3Å; F153-C185 HydrophobicContact CE1-CB 4.44Å; F153-C185 HydrophobicContact CE2-CB 3.81Å; F153-C185 HydrophobicContact CG-CB 3.41Å; F153-C185 VanDerWaalsContact CG-CB 3.41Å; F153-C185 HydrophobicContact CZ-CB 4.34Å; C181-C185 WeakPolarHBondContact O-CB 3.05Å; C181-C185 PolarHBondContact O-N 2.94Å; L182-C185 PolarHBondContact O-N 3.12Å; L182-C185 VanDerWaalsContact O-N 3.08Å; C185-G187 PolarHBondContact O-N 3.15Å; C185-F188 WeakPolarHBondContact O-CD2 3.35Å; C185-F188 PolarHBondContact O-N 2.87Å
186	S	58.4	Low	55.7	Low	43 Å²	43	83.4 Å²	83.4	30%	0.301	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-72.8	-9.5	-176	56.8	0	0	0	0	114.2	L182 F188 Y228	L182-S186 VanDerWaalsContact O-CB 3.3Å; L182-S186 WeakPolarHBondContact O-CB 3.44Å; L182-S186 PolarHBondContact O-N 2.65Å; L182-S186 PolarHBondContact O-OG 3.16Å; S186-F188 PolarHBondContact O-N 3.1Å; S186-Y228 PolarHBondContact OG-OH 2.85Å
187	G	47.9	Very low	52.8	Low	51 Å²	51	87 Å²	87	53%	0.526	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-68.5	-13.6	168.8	0	0	0	0	0	114.8	C185 I189	C185-G187 PolarHBondContact O-N 3.15Å; G187-I189 VanDerWaalsContact C-N 3.31Å; G187-I189 PolarHBondContact O-N 3.15Å
188	F	44.7	Very low	49.9	Very low	58 Å²	58	88 Å²	88	25%	0.254	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-90	12.8	-177.2	-70	-80.3	0	0	0	114.6	A125 S126 R158 C185 S186	A125-F188 HydrophobicContact CB-CD2 4Å; A125-F188 HydrophobicContact CB-CE2 2.99Å; A125-F188 HydrophobicContact CB-CZ 3.35Å; S126-F188 VanDerWaalsContact CA-CD1 3.45Å; S126-F188 VanDerWaalsContact CB-CD1 3.41Å; S126-F188 VanDerWaalsContact OG-CE1 3.29Å; S126-F188 WeakPolarHBondContact OG-CE1 3.41Å; R158-F188 PolarHBondContact NH1-O 3.19Å; C185-F188 WeakPolarHBondContact O-CD2 3.35Å; C185-F188 PolarHBondContact O-N 2.87Å; S186-F188 PolarHBondContact O-N 3.1Å
189	I	34.6	Very low	47.1	Very low	97 Å²	97	94.9 Å²	94.9	50%	0.497	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-94.7	-3.9	-173.2	-58.1	177.9	0	0	0	111.6	G187	G187-I189 VanDerWaalsContact C-N 3.31Å; G187-I189 PolarHBondContact O-N 3.15Å
190	A	29.2	Very low	44.7	Very low	37 Å²	37	96.8 Å²	96.8	31%	0.306	51%	0.513	S	S	.	.	S	Bend	trans	-111.1	13.4	-171.7	0	0	0	0	0	117.5	L235	A190-L235 HydrophobicContact CB-CD1 3.56Å; A190-L235 HydrophobicContact CB-CD2 4.43Å; A190-L235 WeakPolarHBondContact O-CD1 3.03Å
191	V	28.3	Very low	42.3	Very low	110 Å²	110	100.7 Å²	100.7	67%	0.667	53%	0.526	S	S	*	.			trans	-129.5	104.1	166	-86.5	0	0	0	0	110.5	Y193	V191-Y193 PolarHBondContact O-N 3.05Å
192	P	28.4	Very low	39.7	Very low	116 Å²	116	104.7 Å²	104.7	75%	0.753	55%	0.554	S	S	*	*			trans	-58	135.7	160.8	-15.5	29	0	0	0	108.5	S194	P192-S194 VanDerWaalsContact C-N 3.33Å; P192-S194 PolarHBondContact O-N 2.67Å
193	Y	25.5	Very low	37.7	Very low	221 Å²	221	104.1 Å²	104.1	87%	0.867	56%	0.555	S	S	*	*			trans	-51.7	93.1	168.5	-135.8	-100	0	0	0	108.8	V191 I195	V191-Y193 PolarHBondContact O-N 3.05Å; Y193-I195 HydrophobicContact CD1-CG1 4.24Å
194	S	27.6	Very low	35.7	Very low	83 Å²	83	102.3 Å²	102.3	58%	0.58	56%	0.559	S	S	*	*			trans	-86.2	115.3	167.8	64.1	0	0	0	0	107.5	P192 D196	P192-S194 VanDerWaalsContact C-N 3.33Å; P192-S194 PolarHBondContact O-N 2.67Å; S194-D196 PolarHBondContact O-N 2.76Å
195	I	29.2	Very low	33.9	Very low	161 Å²	161	106.1 Å²	106.1	83%	0.826	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	17.4	-175.5	-61.5	169.4	0	0	0	111.3	Y193	Y193-I195 HydrophobicContact CD1-CG1 4.24Å
196	D	33.6	Very low	32.1	Very low	147 Å²	147	108 Å²	108	79%	0.786	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	-1.1	-165.5	-140.3	10.8	0	0	0	114.9	S194	S194-D196 PolarHBondContact O-N 2.76Å
197	Y	29.1	Very low	30.6	Very low	205 Å²	205	107 Å²	107	80%	0.804	59%	0.591	S	S	*	*			trans	-117.3	74.8	176.8	-98.7	-97.5	0	0	0	111.7	K199	Y197-K199 PolarHBondContact O-N 2.79Å
198	G	26	Very low	30	Very low	71 Å²	71	110.4 Å²	110.4	73%	0.732	59%	0.593	S	S	*	*			trans	-68.4	123	154.8	0	0	0	0	0	109.2
199	K	26.5	Very low	29.2	Very low	187 Å²	187	116.9 Å²	116.9	81%	0.813	62%	0.624	S	S	*	*	S	Bend	trans	98.1	124.8	175.5	-55.8	176.6	-178.7	179.2	0	114.8	Y197	Y197-K199 PolarHBondContact O-N 2.79Å
200	Q	26.3	Very low	29.2	Very low	186 Å²	186	114.6 Å²	114.6	87%	0.869	62%	0.615	S	S	*	*			trans	79.3	78.6	166.9	-61.3	171.2	-17.3	0	0	117.5
201	Y	27.6	Very low	29.8	Very low	185 Å²	185	115 Å²	115	73%	0.725	62%	0.616	S	S	*	*			trans	-137.2	87	143.3	-136.5	-93	0	0	0	109.2
202	S	27.9	Very low	31	Very low	83 Å²	83	114.9 Å²	114.9	58%	0.58	62%	0.615	S	S	*	*			trans	-92.6	120.8	168.3	-66.6	0	0	0	0	108	G204	S202-G204 PolarHBondContact O-N 2.04Å
203	P	31.9	Very low	32.7	Very low	59 Å²	59	109.7 Å²	109.7	38%	0.383	58%	0.581	S	S	.	*			trans	-75.1	64.5	160.9	28.3	-23.6	0	0	0	108.3
204	G	27.7	Very low	34.9	Very low	44 Å²	44	100.2 Å²	100.2	45%	0.454	55%	0.548	S	S	.	.			trans	-106.9	93.4	-178.5	0	0	0	0	0	110	S202	S202-G204 PolarHBondContact O-N 2.04Å
205	N	31.1	Very low	37.3	Very low	85 Å²	85	97 Å²	97	46%	0.455	53%	0.525	S	S	.	.			trans	167.7	93.9	148.2	-88.7	-16.1	0	0	0	108.8	R230	N205-R230 PolarHBondContact O-NH2 3.24Å; N205-R230 VanDerWaalsContact O-NH2 3.15Å
206	A	31.7	Very low	39.6	Very low	40 Å²	40	93.6 Å²	93.6	33%	0.331	51%	0.509	S	S	.	.	S	Bend	trans	-140.1	61.5	169.5	0	0	0	0	0	110.3	R119	R119-A206 PolarHBondContact NH1-O 3.41Å
207	G	28.2	Very low	41.5	Very low	20 Å²	20	89.9 Å²	89.9	21%	0.206	49%	0.491	C	S	.	.			trans	158.6	45	148.2	0	0	0	0	0	119.1	L97 R119 H209	L97-G207 WeakPolarHBondContact CD1-O 3.34Å; R119-G207 VanDerWaalsContact CZ-CA 3.4Å; R119-G207 VanDerWaalsContact CZ-O 3.26Å; R119-G207 PolarHBondContact NH2-O 3.03Å; G207-H209 PolarHBondContact O-N 2.91Å
208	Q	34.1	Very low	43.4	Very low	123 Å²	123	84 Å²	84	58%	0.575	49%	0.485	S	S	*	.	S	Bend	trans	-81.5	99.6	151.2	-176.1	170.4	6.2	0	0	105	L97 V210	L97-Q208 HydrophobicContact CD1-CB 4.02Å; Q208-V210 VanDerWaalsContact O-CA 3.23Å; Q208-V210 WeakPolarHBondContact O-CA 3.25Å; Q208-V210 WeakPolarHBondContact O-CG2 3.34Å; Q208-V210 PolarHBondContact O-N 3.43Å
209	H	28.5	Very low	45.5	Very low	195 Å²	195	87 Å²	87	90%	0.903	49%	0.485	S	S	*	.	S	Bend	trans	19.1	64.7	-178.4	-106.1	-90.7	0	0	0	110.5	G207 S211	G207-H209 PolarHBondContact O-N 2.91Å; H209-S211 PolarHBondContact O-N 3.25Å
210	V	34	Very low	47.8	Very low	49 Å²	49	80.3 Å²	80.3	30%	0.297	46%	0.456	S	S	.	.			trans	-74.8	95.1	-166.1	177.5	0	0	0	0	103.1	Q208 V212	Q208-V210 VanDerWaalsContact O-CA 3.23Å; Q208-V210 WeakPolarHBondContact O-CA 3.25Å; Q208-V210 WeakPolarHBondContact O-CG2 3.34Å; Q208-V210 PolarHBondContact O-N 3.43Å; V210-V212 PolarHBondContact O-N 2.72Å
211	S	43	Very low	50.1	Low	46 Å²	46	77.8 Å²	77.8	32%	0.322	44%	0.442	S	S	.	.			trans	-40.1	111.3	165.9	34.4	0	0	0	0	103.9	H209 P213 N250 N251	H209-S211 PolarHBondContact O-N 3.25Å; S211-P213 VanDerWaalsContact O-CD 3.24Å; S211-P213 WeakPolarHBondContact O-CD 3.31Å; S211-N250 WeakPolarHBondContact CB-ND2 3.2Å; S211-N250 PolarHBondContact OG-O 3.5Å; S211-N251 PolarHBondContact O-ND2 3.09Å
212	V	52.9	Low	52.2	Low	107 Å²	107	71.8 Å²	71.8	65%	0.648	42%	0.423	S	S	*	.			trans	-48	113.9	-176.8	172.3	0	0	0	0	104.8	V210 A214 L222 N250	V210-V212 PolarHBondContact O-N 2.72Å; V212-A214 PolarHBondContact O-N 3.36Å; V212-L222 HydrophobicContact CG1-CD1 4.18Å; V212-N250 PolarHBondContact O-ND2 3.4Å
213	P	64.4	Low	53.9	Low	7 Å²	7	68.1 Å²	68.1	5%	0.045	40%	0.397	C	S	.	.			trans	-49.5	117.2	-167.7	-17.2	11.5	0	0	0	108.2	S211 L222 Y229 S248 N250 N251 I255	S211-P213 VanDerWaalsContact O-CD 3.24Å; S211-P213 WeakPolarHBondContact O-CD 3.31Å; P213-L222 HydrophobicContact CB-CD2 4.5Å; P213-L222 WeakPolarHBondContact O-CD1 2.8Å; P213-L222 VanDerWaalsContact O-CD2 3.23Å; P213-L222 WeakPolarHBondContact O-CD2 3.03Å; P213-L222 WeakPolarHBondContact O-CG 3.25Å; P213-Y229 HydrophobicContact CB-CD2 4.41Å; P213-Y229 HydrophobicContact CG-CD2 3.67Å; P213-Y229 HydrophobicContact CG-CE2 3.51Å; P213-S248 VanDerWaalsContact C-OG 3.28Å; P213-S248 VanDerWaalsContact CA-OG 3.28Å; P213-S248 WeakPolarHBondContact CA-OG 2.95Å; P213-N250 WeakPolarHBondContact CA-OD1 3.19Å; P213-N251 WeakPolarHBondContact CB-ND2 2.97Å; P213-N251 VanDerWaalsContact CG-ND2 3.31Å; P213-N251 WeakPolarHBondContact CG-ND2 3.39Å; P213-I255 HydrophobicContact CB-CB 4.44Å; P213-I255 HydrophobicContact CB-CD1 3.62Å; P213-I255 HydrophobicContact CB-CG1 4.46Å; P213-I255 HydrophobicContact CB-CG2 3.57Å; P213-I255 HydrophobicContact CG-CG2 4.15Å
214	A	71.7	Confident	54.8	Low	22 Å²	22	69.7 Å²	69.7	18%	0.182	41%	0.407	C	S	.	.			trans	-107.6	143.8	-173.4	0	0	0	0	0	109.6	V212 S248 F249 N250	V212-A214 PolarHBondContact O-N 3.36Å; A214-S248 PolarHBondContact N-OG 3.39Å; A214-S248 WeakPolarHBondContact O-CA 3.22Å; A214-S248 PolarHBondContact O-OG 3.44Å; A214-F249 HydrophobicContact CB-CD1 3.69Å; A214-F249 HydrophobicContact CB-CE1 3.02Å; A214-F249 HydrophobicContact CB-CE2 4.41Å; A214-F249 HydrophobicContact CB-CZ 3.42Å; A214-F249 VanDerWaalsContact CB-CZ 3.42Å; A214-F249 WeakPolarHBondContact O-CD1 3.38Å; A214-F249 PolarHBondContact O-N 2.74Å; A214-N250 WeakPolarHBondContact CB-ND2 3.29Å; A214-N250 PolarHBondContact N-ND2 2.02Å; A214-N250 PolarHBondContact N-OD1 3.14Å; A214-N250 VanDerWaalsContact N-OD1 3.08Å
215	C	78.2	Confident	55.7	Low	14 Å²	14	68.5 Å²	68.5	10%	0.095	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-67.3	136	-174.5	-60.7	0	0	0	0	110.8	V217 H220 K221 F249 C257	C215-V217 PolarHBondContact O-N 2.01Å; C215-H220 HydrophobicContact CB-CB 3.55Å; C215-K221 VanDerWaalsContact SG-C 3.58Å; C215-F249 WeakPolarHBondContact O-CD1 3.37Å; C215-C257 WeakPolarHBondContact CA-SG 3.22Å; C215-C257 HydrophobicContact CB-CB 3.65Å; C215-C257 WeakPolarHBondContact CB-SG 3.33Å; C215-C257 WeakPolarHBondContact SG-CB 3.2Å; C215-C257 CovalentContact SG-SG 2.03Å; C215-C257 PolarHBondContact SG-SG 3.06Å
216	N	76.2	Confident	56.2	Low	90 Å²	90	68.7 Å²	68.7	48%	0.481	40%	0.403	S	S	.	.	S	Bend	trans	-65.5	-23.9	178.3	-89	8	0	0	0	113.3	R247 S248 F249	N216-R247 PolarHBondContact ND2-O 2.89Å; N216-R247 PolarHBondContact OD1-O 3.13Å; N216-S248 VanDerWaalsContact OD1-C 3.28Å; N216-F249 WeakPolarHBondContact OD1-CA 3.18Å; N216-F249 WeakPolarHBondContact OD1-CB 3.06Å; N216-F249 PolarHBondContact OD1-N 2.78Å
217	V	75.2	Confident	56.5	Low	69 Å²	69	70 Å²	70	42%	0.418	40%	0.403	S	S	.	.	S	Bend	trans	-97.9	131.4	-178.6	-172.9	0	0	0	0	108.9	C215 H220	C215-V217 PolarHBondContact O-N 2.01Å; V217-H220 HydrophobicContact CB-CB 4.28Å; V217-H220 WeakPolarHBondContact CB-ND1 3.23Å; V217-H220 WeakPolarHBondContact O-CB 3.36Å; V217-H220 PolarHBondContact O-N 2.9Å
218	A	67.4	Low	57.2	Low	82 Å²	82	71.2 Å²	71.2	68%	0.678	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	144.7	171.6	0	0	0	0	0	110.3	H220	A218-H220 PolarHBondContact O-N 3.22Å
219	D	70.1	Confident	58.2	Low	134 Å²	134	68.4 Å²	68.4	72%	0.717	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	-12.2	-177.2	-52	-42.9	0	0	0	117.1	F259	D219-F259 HydrophobicContact CB-CE1 4.08Å; D219-F259 HydrophobicContact CB-CZ 3.75Å; D219-F259 WeakPolarHBondContact O-CE1 3.31Å; D219-F259 WeakPolarHBondContact O-CZ 3.45Å
220	H	75.5	Confident	59.8	Low	47 Å²	47	64.4 Å²	64.4	22%	0.218	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-66.3	137.7	171.1	-78	-170.1	0	0	0	111.2	C215 V217 A218 Q246 C257 F259	C215-H220 HydrophobicContact CB-CB 3.55Å; V217-H220 HydrophobicContact CB-CB 4.28Å; V217-H220 WeakPolarHBondContact CB-ND1 3.23Å; V217-H220 WeakPolarHBondContact O-CB 3.36Å; V217-H220 PolarHBondContact O-N 2.9Å; A218-H220 PolarHBondContact O-N 3.22Å; H220-Q246 PolarHBondContact CE1-NE2 3.33Å; H220-Q246 VanDerWaalsContact ND1-CD 3.35Å; H220-Q246 PolarHBondContact ND1-NE2 2.89Å; H220-Q246 PolarHBondContact ND1-OE1 2.03Å; H220-C257 HydrophobicContact CB-CB 4.27Å; H220-F259 AromaticContact CD2-CE2 3.41Å; H220-F259 VanDerWaalsContact CD2-CE2 3.41Å; H220-F259 WeakPolarHBondContact CD2-CE2 3.23Å; H220-F259 AromaticContact CD2-CZ 3.96Å; H220-F259 AromaticContact NE2-CE2 3.81Å
221	K	75.6	Confident	61.2	Low	133 Å²	133	62.8 Å²	62.8	58%	0.578	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	148.3	173.3	-61.6	-174.9	-178.8	-178.8	0	109.6	C215 Y243 C257 G258	C215-K221 VanDerWaalsContact SG-C 3.58Å; K221-Y243 WeakPolarHBondContact O-CE1 3.36Å; K221-C257 WeakPolarHBondContact O-CA 2.96Å; K221-G258 PolarHBondContact N-O 3.42Å; K221-G258 PolarHBondContact O-N 2.83Å
222	L	71.2	Confident	62.1	Low	59 Å²	59	62.9 Å²	62.9	31%	0.309	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	140.8	165	-80.8	120.5	0	0	0	110	V212 P213 Y229 I255	V212-L222 HydrophobicContact CG1-CD1 4.18Å; P213-L222 HydrophobicContact CB-CD2 4.5Å; P213-L222 WeakPolarHBondContact O-CD1 2.8Å; P213-L222 VanDerWaalsContact O-CD2 3.23Å; P213-L222 WeakPolarHBondContact O-CD2 3.03Å; P213-L222 WeakPolarHBondContact O-CG 3.25Å; L222-Y229 HydrophobicContact CD2-CG 4.27Å; L222-I255 HydrophobicContact CD2-CD1 4.37Å
223	A	62.5	Low	62.6	Low	5 Å²	5	61 Å²	61	4%	0.041	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-52.8	129.1	169.6	0	0	0	0	0	110.9	G225 P240 Y243 C256	A223-G225 PolarHBondContact O-N 3Å; A223-P240 HydrophobicContact CB-CG 4.18Å; A223-Y243 HydrophobicContact CB-CD1 3.74Å; A223-Y243 HydrophobicContact CB-CD2 4.47Å; A223-Y243 HydrophobicContact CB-CE1 4.02Å; A223-Y243 HydrophobicContact CB-CG 4.01Å; A223-C256 HydrophobicContact CB-CB 3.66Å; A223-C256 PolarHBondContact N-O 2.95Å
224	P	50.6	Low	62	Low	92 Å²	92	68.9 Å²	68.9	60%	0.597	38%	0.375	S	S	*	.	S	Bend	trans	-67.8	131.7	-178.7	25.3	-32.9	0	0	0	110.9	Y243	P224-Y243 WeakPolarHBondContact CD-OH 3.3Å
225	G	46.7	Very low	60.8	Low	20 Å²	20	70.5 Å²	70.5	21%	0.206	38%	0.38	C	S	.	.	S	Bend	trans	118.8	124.1	178.2	0	0	0	0	0	112.9	K183 A223 M227 Y228	K183-G225 VanDerWaalsContact CE-CA 3.42Å; A223-G225 PolarHBondContact O-N 3Å; G225-M227 PolarHBondContact O-N 2.74Å; G225-Y228 PolarHBondContact O-N 3.43Å; G225-Y228 VanDerWaalsContact O-N 3.1Å
226	S	42.8	Very low	59.3	Low	89 Å²	89	74.5 Å²	74.5	62%	0.622	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	0.1	-174.7	52.4	0	0	0	0	116
227	M	37.3	Very low	58.2	Low	67 Å²	67	80 Å²	80	33%	0.33	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	4.3	-178.8	-72.6	-178.5	69.8	0	0	114.1	F81 A125 F184 G225	F81-M227 HydrophobicContact CE1-SD 4.39Å; A125-M227 HydrophobicContact CB-CE 3.8Å; F184-M227 HydrophobicContact CB-CE 4.33Å; F184-M227 HydrophobicContact CB-SD 4.18Å; F184-M227 HydrophobicContact CD2-CE 3.47Å; F184-M227 VanDerWaalsContact CD2-CE 3.47Å; F184-M227 HydrophobicContact CD2-SD 3.22Å; F184-M227 WeakPolarHBondContact CD2-SD 3.03Å; F184-M227 HydrophobicContact CE2-CE 3.78Å; F184-M227 HydrophobicContact CE2-SD 3.84Å; F184-M227 HydrophobicContact CG-CE 3.89Å; F184-M227 HydrophobicContact CG-SD 3.96Å; F184-M227 HydrophobicContact CZ-CE 4.49Å; F184-M227 WeakPolarHBondContact O-CE 3.42Å; G225-M227 PolarHBondContact O-N 2.74Å
228	Y	44	Very low	57.5	Low	45 Å²	45	78.6 Å²	78.6	18%	0.176	42%	0.416	C	S	.	.	S	Bend	trans	-124.7	13.7	-173	-76.7	-81.3	0	0	0	115	L182 K183 S186 G225	L182-Y228 PolarHBondContact O-OH 2.6Å; L182-Y228 VanDerWaalsContact O-OH 3.09Å; K183-Y228 WeakPolarHBondContact CA-OH 3.1Å; K183-Y228 HydrophobicContact CB-CE2 4.15Å; K183-Y228 HydrophobicContact CG-CD2 4.01Å; K183-Y228 HydrophobicContact CG-CE2 3.54Å; K183-Y228 WeakPolarHBondContact O-CE2 3.45Å; K183-Y228 VanDerWaalsContact O-CZ 3.23Å; K183-Y228 PolarHBondContact O-OH 3.39Å; S186-Y228 PolarHBondContact OG-OH 2.85Å; G225-Y228 PolarHBondContact O-N 3.43Å; G225-Y228 VanDerWaalsContact O-N 3.1Å
229	Y	54.7	Low	57.1	Low	65 Å²	65	75.8 Å²	75.8	26%	0.255	39%	0.391	S	S	.	.	S	Bend	trans	-88.4	-18.4	176.5	65.9	-91.9	0	0	0	112.9	P213 L222 I255 C256	P213-Y229 HydrophobicContact CB-CD2 4.41Å; P213-Y229 HydrophobicContact CG-CD2 3.67Å; P213-Y229 HydrophobicContact CG-CE2 3.51Å; L222-Y229 HydrophobicContact CD2-CG 4.27Å; Y229-I255 HydrophobicContact CD2-CG2 3.85Å; Y229-I255 CarbonylContact O-C 3.55Å; Y229-I255 VanDerWaalsContact O-C 3.25Å; Y229-I255 WeakPolarHBondContact O-CA 3.32Å; Y229-I255 WeakPolarHBondContact O-CB 3.24Å; Y229-I255 VanDerWaalsContact O-CG2 3.25Å; Y229-I255 WeakPolarHBondContact O-CG2 3.4Å; Y229-C256 PolarHBondContact O-N 3.35Å
230	R	61.2	Low	56.7	Low	110 Å²	110	71.7 Å²	71.7	42%	0.415	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-95	135.5	178.5	-68.9	-171.4	-175.2	165.7	3.6	111.5	N205 E253 Y254 I255	N205-R230 PolarHBondContact O-NH2 3.24Å; N205-R230 VanDerWaalsContact O-NH2 3.15Å; R230-E253 IonicContact CZ-OE1 3.39Å; R230-E253 IonicContact CZ-OE2 3.25Å; R230-E253 VanDerWaalsContact CZ-OE2 3.25Å; R230-E253 IonicContact NE-OE1 3.71Å; R230-E253 IonicContact NE-OE2 2.76Å; R230-E253 PolarHBondContact NE-OE2 3.39Å; R230-E253 IonicContact NH2-OE1 2.67Å; R230-E253 PolarHBondContact NH2-OE1 2.74Å; R230-E253 IonicContact NH2-OE2 3.05Å; R230-E253 PolarHBondContact NH2-OE2 3.42Å; R230-Y254 CarbonylContact C-O 3.56Å; R230-Y254 VanDerWaalsContact CA-O 3.23Å; R230-Y254 WeakPolarHBondContact CA-O 2.94Å; R230-I255 HydrophobicContact CG-CG2 4.5Å
231	C	63.4	Low	56	Low	16 Å²	16	76 Å²	76	11%	0.108	40%	0.397	C	S	.	.			trans	-126.4	162.7	177.6	57	0	0	0	0	109.9	N238 C245 Y254 I255	C231-N238 WeakPolarHBondContact CB-OD1 3.1Å; C231-C245 HydrophobicContact CB-CB 3.61Å; C231-C245 WeakPolarHBondContact CB-SG 3.23Å; C231-C245 WeakPolarHBondContact SG-CA 3.38Å; C231-C245 WeakPolarHBondContact SG-CB 3.33Å; C231-C245 CovalentContact SG-SG 2.01Å; C231-C245 PolarHBondContact SG-SG 3.28Å; C231-Y254 PolarHBondContact N-O 3.35Å; C231-Y254 WeakPolarHBondContact O-CB 3.41Å; C231-I255 VanDerWaalsContact SG-CA 3.57Å; C231-I255 PolarHBondContact SG-N 3.26Å; C231-I255 PolarHBondContact SG-O 3.37Å
232	D	62.8	Low	55.5	Low	48 Å²	48	71.6 Å²	71.6	26%	0.257	39%	0.389	S	S	.	.			trans	-104.3	119	167	-173.6	-22	0	0	0	108.1	K234 L235 N238	D232-K234 PolarHBondContact O-N 3.23Å; D232-K234 WeakPolarHBondContact OD1-CA 3.05Å; D232-K234 WeakPolarHBondContact OD1-CB 3.45Å; D232-K234 WeakPolarHBondContact OD1-CG 3.35Å; D232-K234 PolarHBondContact OD1-N 3.11Å; D232-L235 HydrophobicContact CB-CB 4.05Å; D232-L235 HydrophobicContact CB-CD1 3.64Å; D232-L235 HydrophobicContact CB-CG 3.93Å; D232-L235 PolarHBondContact O-N 2.84Å; D232-N238 PolarHBondContact N-ND2 3.4Å; D232-N238 PolarHBondContact O-ND2 3.01Å
233	P	62.8	Low	55.5	Low	68 Å²	68	70.1 Å²	70.1	44%	0.442	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.3	178.3	30	-39.4	0	0	0	113.1	Y254	P233-Y254 HydrophobicContact CB-CD1 3.73Å; P233-Y254 HydrophobicContact CB-CE1 3.55Å; P233-Y254 HydrophobicContact CB-CG 4.33Å; P233-Y254 VanDerWaalsContact CD-CG 3.5Å; P233-Y254 HydrophobicContact CG-CD1 3.72Å; P233-Y254 HydrophobicContact CG-CD2 3.87Å; P233-Y254 HydrophobicContact CG-CE1 3.57Å; P233-Y254 HydrophobicContact CG-CE2 3.73Å; P233-Y254 HydrophobicContact CG-CG 3.87Å
234	K	52.3	Low	56.2	Low	172 Å²	172	72.8 Å²	72.8	75%	0.748	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.6	178	-55.5	177.9	178.8	-179.5	0	113.4	D232	D232-K234 PolarHBondContact O-N 3.23Å; D232-K234 WeakPolarHBondContact OD1-CA 3.05Å; D232-K234 WeakPolarHBondContact OD1-CB 3.45Å; D232-K234 WeakPolarHBondContact OD1-CG 3.35Å; D232-K234 PolarHBondContact OD1-N 3.11Å
235	L	46.5	Very low	57.4	Low	55 Å²	55	70.3 Å²	70.3	29%	0.288	38%	0.382	S	S	.	.	S	Bend	trans	-103	119.7	-178.4	-70.3	168.2	0	0	0	110.3	A190 D232 N238	A190-L235 HydrophobicContact CB-CD1 3.56Å; A190-L235 HydrophobicContact CB-CD2 4.43Å; A190-L235 WeakPolarHBondContact O-CD1 3.03Å; D232-L235 HydrophobicContact CB-CB 4.05Å; D232-L235 HydrophobicContact CB-CD1 3.64Å; D232-L235 HydrophobicContact CB-CG 3.93Å; D232-L235 PolarHBondContact O-N 2.84Å; L235-N238 PolarHBondContact O-ND2 3.36Å
236	P	45.7	Very low	59.1	Low	99 Å²	99	70.5 Å²	70.5	64%	0.643	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	147	169.4	29.7	-32.2	0	0	0	110.1
237	F	54.2	Low	60.9	Low	205 Å²	205	72 Å²	72	90%	0.899	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	28.7	174.1	-45.8	-74.5	0	0	0	117.6
238	N	60.2	Low	62.6	Low	39 Å²	39	68.8 Å²	68.8	21%	0.209	35%	0.354	C	S	.	.			trans	-96.2	5	174.8	62	13.3	0	0	0	114.5	C231 D232 L235	C231-N238 WeakPolarHBondContact CB-OD1 3.1Å; D232-N238 PolarHBondContact N-ND2 3.4Å; D232-N238 PolarHBondContact O-ND2 3.01Å; L235-N238 PolarHBondContact O-ND2 3.36Å
239	C	59.2	Low	64.3	Low	23 Å²	23	72.7 Å²	72.7	16%	0.155	37%	0.372	C	S	.	.	S	Bend	trans	-115.2	145.3	171.5	-68.5	0	0	0	0	110.9	Y243 C256	C239-Y243 WeakPolarHBondContact CB-O 3.31Å; C239-C256 WeakPolarHBondContact CA-SG 3.48Å; C239-C256 HydrophobicContact CB-CB 3.74Å; C239-C256 WeakPolarHBondContact CB-SG 3.31Å; C239-C256 WeakPolarHBondContact SG-CA 3.32Å; C239-C256 WeakPolarHBondContact SG-CB 3.44Å; C239-C256 CovalentContact SG-SG 2.04Å; C239-C256 PolarHBondContact SG-SG 2.98Å
240	P	60.8	Low	64.7	Low	49 Å²	49	71.9 Å²	71.9	32%	0.318	37%	0.372	S	S	.	.			trans	-61.3	160.4	175.8	-19.2	30.5	0	0	0	112.6	A223 G242 Y243	A223-P240 HydrophobicContact CB-CG 4.18Å; P240-G242 PolarHBondContact O-N 3.23Å; P240-Y243 HydrophobicContact CB-CD2 3.94Å; P240-Y243 HydrophobicContact CG-CD2 4.38Å; P240-Y243 WeakPolarHBondContact O-CB 3.34Å; P240-Y243 PolarHBondContact O-N 3Å
241	D	60.4	Low	64.8	Low	137 Å²	137	68.2 Å²	68.2	73%	0.733	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	124.6	176.7	-68.8	-33.6	0	0	0	112.2	S261	D241-S261 PolarHBondContact O-OG 3.13Å
242	G	66.6	Low	65.1	Low	40 Å²	40	73 Å²	73	41%	0.412	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-2.9	-175.5	0	0	0	0	0	114.7	P240 G258 F259	P240-G242 PolarHBondContact O-N 3.23Å; G242-G258 CarbonylContact O-C 3.58Å; G242-G258 WeakPolarHBondContact O-CA 3.23Å; G242-F259 CarbonylContact C-O 3.5Å; G242-F259 VanDerWaalsContact C-O 3.29Å; G242-F259 VanDerWaalsContact CA-O 3.26Å; G242-F259 WeakPolarHBondContact CA-O 3.24Å; G242-F259 PolarHBondContact O-N 3.4Å
243	Y	71.6	Confident	65.3	Low	28 Å²	28	72.4 Å²	72.4	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.1	175	-59.9	-97.2	0	0	0	110.8	K221 A223 P224 C239 P240 P260	K221-Y243 WeakPolarHBondContact O-CE1 3.36Å; A223-Y243 HydrophobicContact CB-CD1 3.74Å; A223-Y243 HydrophobicContact CB-CD2 4.47Å; A223-Y243 HydrophobicContact CB-CE1 4.02Å; A223-Y243 HydrophobicContact CB-CG 4.01Å; P224-Y243 WeakPolarHBondContact CD-OH 3.3Å; C239-Y243 WeakPolarHBondContact CB-O 3.31Å; P240-Y243 HydrophobicContact CB-CD2 3.94Å; P240-Y243 HydrophobicContact CG-CD2 4.38Å; P240-Y243 WeakPolarHBondContact O-CB 3.34Å; P240-Y243 PolarHBondContact O-N 3Å; Y243-P260 WeakPolarHBondContact OH-CD 3.19Å
244	S	76.2	Confident	65.9	Low	61 Å²	61	73.8 Å²	73.8	43%	0.427	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.9	174.5	58.1	0	0	0	0	110.9	Q246 C257	S244-Q246 PolarHBondContact O-N 2.81Å; S244-Q246 PolarHBondContact OG-NE2 3.25Å; S244-C257 PolarHBondContact N-O 3.07Å; S244-C257 PolarHBondContact O-N 2.97Å; S244-C257 PolarHBondContact OG-O 2.86Å
245	C	76.6	Confident	66.9	Low	41 Å²	41	65.6 Å²	65.6	28%	0.277	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	113.1	178.5	-172.7	0	0	0	0	110	C231 I255	C231-C245 HydrophobicContact CB-CB 3.61Å; C231-C245 WeakPolarHBondContact CB-SG 3.23Å; C231-C245 WeakPolarHBondContact SG-CA 3.38Å; C231-C245 WeakPolarHBondContact SG-CB 3.33Å; C231-C245 CovalentContact SG-SG 2.01Å; C231-C245 PolarHBondContact SG-SG 3.28Å; C245-I255 CarbonylContact C-O 3.51Å
246	Q	82	Confident	68.3	Low	23 Å²	23	63 Å²	63	11%	0.107	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.3	-176.4	-70.7	166.9	34.2	0	0	108.9	H220 S244 S248 I255 C257	H220-Q246 PolarHBondContact CE1-NE2 3.33Å; H220-Q246 VanDerWaalsContact ND1-CD 3.35Å; H220-Q246 PolarHBondContact ND1-NE2 2.89Å; H220-Q246 PolarHBondContact ND1-OE1 2.03Å; S244-Q246 PolarHBondContact O-N 2.81Å; S244-Q246 PolarHBondContact OG-NE2 3.25Å; Q246-S248 PolarHBondContact O-N 3.39Å; Q246-I255 PolarHBondContact N-O 3.48Å; Q246-I255 VanDerWaalsContact O-CG1 3.28Å; Q246-I255 WeakPolarHBondContact O-CG1 3.4Å; Q246-I255 PolarHBondContact O-N 3.26Å; Q246-I255 VanDerWaalsContact O-O 3.1Å; Q246-C257 HydrophobicContact CB-CB 4.04Å; Q246-C257 HydrophobicContact CG-CB 4.08Å; Q246-C257 PolarHBondContact NE2-O 3.45Å
247	R	81.2	Confident	69.9	Low	120 Å²	120	58.3 Å²	58.3	45%	0.453	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.8	167.5	-164.9	172.9	177.4	-162.3	-3.3	108.5	N216 H252 E253 Y254	N216-R247 PolarHBondContact ND2-O 2.89Å; N216-R247 PolarHBondContact OD1-O 3.13Å; R247-H252 PolarHBondContact NH2-ND1 3.19Å; R247-E253 CarbonylContact C-O 3.41Å; R247-Y254 HydrophobicContact CB-CD1 4.29Å; R247-Y254 HydrophobicContact CB-CE1 4.08Å
248	S	71.5	Confident	71.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-76.9	141.9	177.4	-173.8	0	0	0	0	111.5	P213 A214 N216 Q246 N250 N251 H252 E253	P213-S248 VanDerWaalsContact C-OG 3.28Å; P213-S248 VanDerWaalsContact CA-OG 3.28Å; P213-S248 WeakPolarHBondContact CA-OG 2.95Å; A214-S248 PolarHBondContact N-OG 3.39Å; A214-S248 WeakPolarHBondContact O-CA 3.22Å; A214-S248 PolarHBondContact O-OG 3.44Å; N216-S248 VanDerWaalsContact OD1-C 3.28Å; Q246-S248 PolarHBondContact O-N 3.39Å; S248-N250 VanDerWaalsContact C-N 3.33Å; S248-N250 PolarHBondContact O-N 2.9Å; S248-N250 PolarHBondContact OG-OD1 2.8Å; S248-N251 WeakPolarHBondContact CB-OD1 3.47Å; S248-N251 PolarHBondContact OG-OD1 3.36Å; S248-H252 WeakPolarHBondContact O-CA 2.96Å; S248-H252 PolarHBondContact O-N 2.85Å; S248-H252 VanDerWaalsContact O-N 3.12Å; S248-E253 VanDerWaalsContact CB-O 3.3Å; S248-E253 WeakPolarHBondContact CB-O 3.02Å; S248-E253 PolarHBondContact N-O 3.26Å
249	F	80.2	Confident	71.4	Confident	128 Å²	128	51.9 Å²	51.9	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-28.3	-175.6	68.7	-99.6	0	0	0	112.3	A214 C215 N216	A214-F249 HydrophobicContact CB-CD1 3.69Å; A214-F249 HydrophobicContact CB-CE1 3.02Å; A214-F249 HydrophobicContact CB-CE2 4.41Å; A214-F249 HydrophobicContact CB-CZ 3.42Å; A214-F249 VanDerWaalsContact CB-CZ 3.42Å; A214-F249 WeakPolarHBondContact O-CD1 3.38Å; A214-F249 PolarHBondContact O-N 2.74Å; C215-F249 WeakPolarHBondContact O-CD1 3.37Å; N216-F249 WeakPolarHBondContact OD1-CA 3.18Å; N216-F249 WeakPolarHBondContact OD1-CB 3.06Å; N216-F249 PolarHBondContact OD1-N 2.78Å
250	N	64.1	Low	71.2	Confident	47 Å²	47	54 Å²	54	25%	0.251	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-12.8	-167.5	61.3	0.9	0	0	0	113.9	S211 V212 P213 A214 S248	S211-N250 WeakPolarHBondContact CB-ND2 3.2Å; S211-N250 PolarHBondContact OG-O 3.5Å; V212-N250 PolarHBondContact O-ND2 3.4Å; P213-N250 WeakPolarHBondContact CA-OD1 3.19Å; A214-N250 WeakPolarHBondContact CB-ND2 3.29Å; A214-N250 PolarHBondContact N-ND2 2.02Å; A214-N250 PolarHBondContact N-OD1 3.14Å; A214-N250 VanDerWaalsContact N-OD1 3.08Å; S248-N250 VanDerWaalsContact C-N 3.33Å; S248-N250 PolarHBondContact O-N 2.9Å; S248-N250 PolarHBondContact OG-OD1 2.8Å
251	N	62.8	Low	70.4	Confident	33 Å²	33	55.2 Å²	55.2	18%	0.176	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	4.2	178.3	70.9	14.6	0	0	0	114.2	S211 P213 S248 E253	S211-N251 PolarHBondContact O-ND2 3.09Å; P213-N251 WeakPolarHBondContact CB-ND2 2.97Å; P213-N251 VanDerWaalsContact CG-ND2 3.31Å; P213-N251 WeakPolarHBondContact CG-ND2 3.39Å; S248-N251 WeakPolarHBondContact CB-OD1 3.47Å; S248-N251 PolarHBondContact OG-OD1 3.36Å; N251-E253 HydrophobicContact CB-CG 4.45Å; N251-E253 PolarHBondContact O-N 3.29Å; N251-E253 VanDerWaalsContact OD1-CB 3.24Å; N251-E253 WeakPolarHBondContact OD1-CB 3.43Å; N251-E253 WeakPolarHBondContact OD1-CG 3.43Å; N251-E253 PolarHBondContact OD1-N 3.09Å
252	H	70.2	Confident	69.3	Low	116 Å²	116	53.5 Å²	53.5	54%	0.537	28%	0.283	S	S	.	.			trans	59.1	10.3	178.7	-58.1	-55.9	0	0	0	116	R247 S248	R247-H252 PolarHBondContact NH2-ND1 3.19Å; S248-H252 WeakPolarHBondContact O-CA 2.96Å; S248-H252 PolarHBondContact O-N 2.85Å; S248-H252 VanDerWaalsContact O-N 3.12Å
253	E	66	Low	67.6	Low	36 Å²	36	57.7 Å²	57.7	17%	0.168	30%	0.3	C	S	.	.			trans	-72.4	144.7	173.5	-62.4	-179.7	174.8	0	0	109.9	R230 R247 S248 N251 I255	R230-E253 IonicContact CZ-OE1 3.39Å; R230-E253 IonicContact CZ-OE2 3.25Å; R230-E253 VanDerWaalsContact CZ-OE2 3.25Å; R230-E253 IonicContact NE-OE1 3.71Å; R230-E253 IonicContact NE-OE2 2.76Å; R230-E253 PolarHBondContact NE-OE2 3.39Å; R230-E253 IonicContact NH2-OE1 2.67Å; R230-E253 PolarHBondContact NH2-OE1 2.74Å; R230-E253 IonicContact NH2-OE2 3.05Å; R230-E253 PolarHBondContact NH2-OE2 3.42Å; R247-E253 CarbonylContact C-O 3.41Å; S248-E253 VanDerWaalsContact CB-O 3.3Å; S248-E253 WeakPolarHBondContact CB-O 3.02Å; S248-E253 PolarHBondContact N-O 3.26Å; N251-E253 HydrophobicContact CB-CG 4.45Å; N251-E253 PolarHBondContact O-N 3.29Å; N251-E253 VanDerWaalsContact OD1-CB 3.24Å; N251-E253 WeakPolarHBondContact OD1-CB 3.43Å; N251-E253 WeakPolarHBondContact OD1-CG 3.43Å; N251-E253 PolarHBondContact OD1-N 3.09Å; E253-I255 HydrophobicContact CB-CG2 4.15Å; E253-I255 PolarHBondContact O-N 3.35Å
254	Y	75.7	Confident	65.6	Low	98 Å²	98	65.7 Å²	65.7	38%	0.384	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	120.9	171	-78.4	-81.1	0	0	0	109.4	R230 C231 P233 R247	R230-Y254 CarbonylContact C-O 3.56Å; R230-Y254 VanDerWaalsContact CA-O 3.23Å; R230-Y254 WeakPolarHBondContact CA-O 2.94Å; C231-Y254 PolarHBondContact N-O 3.35Å; C231-Y254 WeakPolarHBondContact O-CB 3.41Å; P233-Y254 HydrophobicContact CB-CD1 3.73Å; P233-Y254 HydrophobicContact CB-CE1 3.55Å; P233-Y254 HydrophobicContact CB-CG 4.33Å; P233-Y254 VanDerWaalsContact CD-CG 3.5Å; P233-Y254 HydrophobicContact CG-CD1 3.72Å; P233-Y254 HydrophobicContact CG-CD2 3.87Å; P233-Y254 HydrophobicContact CG-CE1 3.57Å; P233-Y254 HydrophobicContact CG-CE2 3.73Å; P233-Y254 HydrophobicContact CG-CG 3.87Å; R247-Y254 HydrophobicContact CB-CD1 4.29Å; R247-Y254 HydrophobicContact CB-CE1 4.08Å
255	I	72.7	Confident	63.5	Low	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.6	-173.9	63.4	167.9	0	0	0	116.5	P213 L222 Y229 R230 C231 C245 Q246 E253 C257	P213-I255 HydrophobicContact CB-CB 4.44Å; P213-I255 HydrophobicContact CB-CD1 3.62Å; P213-I255 HydrophobicContact CB-CG1 4.46Å; P213-I255 HydrophobicContact CB-CG2 3.57Å; P213-I255 HydrophobicContact CG-CG2 4.15Å; L222-I255 HydrophobicContact CD2-CD1 4.37Å; Y229-I255 HydrophobicContact CD2-CG2 3.85Å; Y229-I255 CarbonylContact O-C 3.55Å; Y229-I255 VanDerWaalsContact O-C 3.25Å; Y229-I255 WeakPolarHBondContact O-CA 3.32Å; Y229-I255 WeakPolarHBondContact O-CB 3.24Å; Y229-I255 VanDerWaalsContact O-CG2 3.25Å; Y229-I255 WeakPolarHBondContact O-CG2 3.4Å; R230-I255 HydrophobicContact CG-CG2 4.5Å; C231-I255 VanDerWaalsContact SG-CA 3.57Å; C231-I255 PolarHBondContact SG-N 3.26Å; C231-I255 PolarHBondContact SG-O 3.37Å; C245-I255 CarbonylContact C-O 3.51Å; Q246-I255 PolarHBondContact N-O 3.48Å; Q246-I255 VanDerWaalsContact O-CG1 3.28Å; Q246-I255 WeakPolarHBondContact O-CG1 3.4Å; Q246-I255 PolarHBondContact O-N 3.26Å; Q246-I255 VanDerWaalsContact O-O 3.1Å; E253-I255 HydrophobicContact CB-CG2 4.15Å; E253-I255 PolarHBondContact O-N 3.35Å; I255-C257 WeakPolarHBondContact CD1-SG 3.4Å; I255-C257 PolarHBondContact O-N 3.23Å
256	C	75.7	Confident	61.2	Low	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.8	175.6	-64.9	0	0	0	0	111.2	A223 Y229 C239	A223-C256 HydrophobicContact CB-CB 3.66Å; A223-C256 PolarHBondContact N-O 2.95Å; Y229-C256 PolarHBondContact O-N 3.35Å; C239-C256 WeakPolarHBondContact CA-SG 3.48Å; C239-C256 HydrophobicContact CB-CB 3.74Å; C239-C256 WeakPolarHBondContact CB-SG 3.31Å; C239-C256 WeakPolarHBondContact SG-CA 3.32Å; C239-C256 WeakPolarHBondContact SG-CB 3.44Å; C239-C256 CovalentContact SG-SG 2.04Å; C239-C256 PolarHBondContact SG-SG 2.98Å
257	C	79.4	Confident	58.8	Low	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.4	-175.8	-82	0	0	0	0	110.9	C215 H220 K221 S244 Q246 I255	C215-C257 WeakPolarHBondContact CA-SG 3.22Å; C215-C257 HydrophobicContact CB-CB 3.65Å; C215-C257 WeakPolarHBondContact CB-SG 3.33Å; C215-C257 WeakPolarHBondContact SG-CB 3.2Å; C215-C257 CovalentContact SG-SG 2.03Å; C215-C257 PolarHBondContact SG-SG 3.06Å; H220-C257 HydrophobicContact CB-CB 4.27Å; K221-C257 WeakPolarHBondContact O-CA 2.96Å; S244-C257 PolarHBondContact N-O 3.07Å; S244-C257 PolarHBondContact O-N 2.97Å; S244-C257 PolarHBondContact OG-O 2.86Å; Q246-C257 HydrophobicContact CB-CB 4.04Å; Q246-C257 HydrophobicContact CG-CB 4.08Å; Q246-C257 PolarHBondContact NE2-O 3.45Å; I255-C257 WeakPolarHBondContact CD1-SG 3.4Å; I255-C257 PolarHBondContact O-N 3.23Å
258	G	79.7	Confident	56.4	Low	3 Å²	3	77.3 Å²	77.3	3%	0.031	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.6	-150.6	178.5	0	0	0	0	0	111.9	K221 G242	K221-G258 PolarHBondContact N-O 3.42Å; K221-G258 PolarHBondContact O-N 2.83Å; G242-G258 CarbonylContact O-C 3.58Å; G242-G258 WeakPolarHBondContact O-CA 3.23Å
259	F	66.9	Low	54.8	Low	107 Å²	107	86.5 Å²	86.5	47%	0.469	46%	0.46	S	S	.	.			trans	-116.7	134.4	179	-66.4	-82.5	0	0	0	109.1	D219 H220 G242 S261	D219-F259 HydrophobicContact CB-CE1 4.08Å; D219-F259 HydrophobicContact CB-CZ 3.75Å; D219-F259 WeakPolarHBondContact O-CE1 3.31Å; D219-F259 WeakPolarHBondContact O-CZ 3.45Å; H220-F259 AromaticContact CD2-CE2 3.41Å; H220-F259 VanDerWaalsContact CD2-CE2 3.41Å; H220-F259 WeakPolarHBondContact CD2-CE2 3.23Å; H220-F259 AromaticContact CD2-CZ 3.96Å; H220-F259 AromaticContact NE2-CE2 3.81Å; G242-F259 CarbonylContact C-O 3.5Å; G242-F259 VanDerWaalsContact C-O 3.29Å; G242-F259 VanDerWaalsContact CA-O 3.26Å; G242-F259 WeakPolarHBondContact CA-O 3.24Å; G242-F259 PolarHBondContact O-N 3.4Å; F259-S261 PolarHBondContact O-N 2.95Å; F259-S261 VanDerWaalsContact O-N 3.13Å
260	P	54.8	Low	52.9	Low	68 Å²	68	85.2 Å²	85.2	44%	0.442	47%	0.467	S	S	.	.			trans	-55.2	126.9	170.5	22.4	-29.5	0	0	0	108.4	Y243 V262	Y243-P260 WeakPolarHBondContact OH-CD 3.19Å; P260-V262 PolarHBondContact O-N 2.75Å; P260-V262 VanDerWaalsContact O-N 3.1Å
261	S	45.2	Very low	52.3	Low	74 Å²	74	88.4 Å²	88.4	52%	0.517	49%	0.493	S	S	.	.			trans	-48.4	120.3	169.5	22.4	0	0	0	0	108.1	D241 F259 T263	D241-S261 PolarHBondContact O-OG 3.13Å; F259-S261 PolarHBondContact O-N 2.95Å; F259-S261 VanDerWaalsContact O-N 3.13Å; S261-T263 PolarHBondContact O-N 2.93Å
262	V	35.6	Very low	52	Low	101 Å²	101	88.6 Å²	88.6	61%	0.612	49%	0.494	S	S	*	.			trans	-56.6	111	-173.6	172.8	0	0	0	0	109.6	P260 E264 S266	P260-V262 PolarHBondContact O-N 2.75Å; P260-V262 VanDerWaalsContact O-N 3.1Å; V262-E264 PolarHBondContact O-N 2.99Å; V262-S266 WeakPolarHBondContact CG1-OG 3.33Å
263	T	31.7	Very low	51.1	Low	127 Å²	127	83.8 Å²	83.8	78%	0.779	47%	0.473	S	S	*	.			trans	-65.6	99.9	164.8	44.1	0	0	0	0	109.1	S261 K265	S261-T263 PolarHBondContact O-N 2.93Å; T263-K265 PolarHBondContact O-N 3.36Å
264	E	29.9	Very low	50.4	Low	197 Å²	197	87 Å²	87	92%	0.921	50%	0.5	S	S	*	.	S	Bend	trans	37.3	5.9	154.3	-71	-171.9	157	0	0	122	V262	V262-E264 PolarHBondContact O-N 2.99Å
265	K	31.6	Very low	48.8	Very low	203 Å²	203	83.9 Å²	83.9	88%	0.883	49%	0.492	S	S	*	.	S	Bend	trans	-127.8	3.8	-172.4	-74.4	-172.1	177.4	179.8	0	116.7	T263	T263-K265 PolarHBondContact O-N 3.36Å
266	S	28.9	Very low	47.4	Very low	66 Å²	66	93.2 Å²	93.2	46%	0.462	54%	0.535	S	S	.	.			trans	-124.7	37.7	179.3	74	0	0	0	0	114.7	V262 T268	V262-S266 WeakPolarHBondContact CG1-OG 3.33Å; S266-T268 PolarHBondContact O-N 3.18Å
267	A	30.2	Very low	45.6	Very low	105 Å²	105	95.2 Å²	95.2	87%	0.868	55%	0.55	S	S	*	.			trans	-70.4	29.6	177.8	0	0	0	0	0	115
268	T	31	Very low	43.4	Very low	114 Å²	114	100.8 Å²	100.8	70%	0.699	59%	0.588	S	S	*	*	S	Bend	trans	-122.7	105.5	178.6	51.2	0	0	0	0	109.5	S266	S266-T268 PolarHBondContact O-N 3.18Å
269	Q	38.5	Very low	41.1	Very low	193 Å²	193	103.3 Å²	103.3	90%	0.902	61%	0.614	S	S	*	*	S	Bend	trans	98.5	8.1	159.7	-60.2	173.2	-19.4	0	0	121.1
270	S	40.7	Very low	39.4	Very low	101 Å²	101	104.1 Å²	104.1	71%	0.706	62%	0.618	S	S	*	*	S	Bend	trans	-146.5	131.4	173.8	46	0	0	0	0	114.4
271	S	50.5	Low	38.2	Very low	115 Å²	115	105.1 Å²	105.1	80%	0.804	63%	0.626	S	S	*	*			trans	66.3	92.5	177.7	71.1	0	0	0	0	118
272	I	56.5	Low	37.3	Very low	36 Å²	36	111.2 Å²	111.2	19%	0.185	64%	0.643	C	S	.	*			trans	-86.8	-26.8	172.1	-74.3	-164.4	0	0	0	112.6	P288 I306 L309 F313	I272-P288 HydrophobicContact CB-CB 4.05Å; I272-P288 HydrophobicContact CB-CG 4.28Å; I272-P288 HydrophobicContact CD1-CB 3.65Å; I272-P288 HydrophobicContact CD1-CG 3.09Å; I272-P288 HydrophobicContact CG1-CB 4.07Å; I272-P288 HydrophobicContact CG1-CG 3.73Å; I272-P288 HydrophobicContact CG2-CB 4.43Å; I272-I306 HydrophobicContact CG2-CB 4.42Å; I272-I306 HydrophobicContact CG2-CG1 3.83Å; I272-I306 HydrophobicContact CG2-CG2 4.27Å; I272-I306 WeakPolarHBondContact O-CD1 3.41Å; I272-I306 WeakPolarHBondContact O-CG2 3.39Å; I272-L309 HydrophobicContact CB-CD1 4.22Å; I272-L309 HydrophobicContact CD1-CD1 3.54Å; I272-L309 HydrophobicContact CG1-CD1 3.73Å; I272-L309 HydrophobicContact CG2-CD1 3.76Å; I272-F313 HydrophobicContact CD1-CE1 3.8Å; I272-F313 HydrophobicContact CD1-CE2 3.95Å; I272-F313 HydrophobicContact CD1-CZ 3.4Å; I272-F313 VanDerWaalsContact CD1-CZ 3.4Å; I272-F313 HydrophobicContact CG2-CB 4.18Å; I272-F313 HydrophobicContact CG2-CD1 4.17Å; I272-F313 HydrophobicContact CG2-CD2 3.37Å; I272-F313 HydrophobicContact CG2-CE1 4.3Å; I272-F313 HydrophobicContact CG2-CE2 3.46Å; I272-F313 VanDerWaalsContact CG2-CE2 3.46Å; I272-F313 HydrophobicContact CG2-CG 3.67Å; I272-F313 HydrophobicContact CG2-CZ 3.91Å
273	C	51	Low	37.1	Very low	16 Å²	16	113 Å²	113	11%	0.108	65%	0.649	C	S	.	*	S	Bend	trans	-95.4	130.3	-178	-58	0	0	0	0	110.7	S275 C315	C273-S275 PolarHBondContact O-N 2.87Å; C273-S275 VanDerWaalsContact O-N 3.17Å; C273-C315 HydrophobicContact CB-CB 3.71Å; C273-C315 WeakPolarHBondContact CB-SG 3.26Å; C273-C315 VanDerWaalsContact SG-CA 3.53Å; C273-C315 WeakPolarHBondContact SG-CB 3.06Å; C273-C315 CovalentContact SG-SG 2.03Å; C273-C315 PolarHBondContact SG-SG 2.05Å
274	S	51.6	Low	36.9	Very low	103 Å²	103	115.7 Å²	115.7	72%	0.72	65%	0.653	S	S	*	*			trans	-79.3	15.1	-173.6	-49.8	0	0	0	0	115.3
275	S	43.2	Very low	37.2	Very low	33 Å²	33	112.3 Å²	112.3	23%	0.231	64%	0.641	C	S	.	*	S	Bend	trans	-109.3	132.2	179.4	46.2	0	0	0	0	110.3	C273 S277	C273-S275 PolarHBondContact O-N 2.87Å; C273-S275 VanDerWaalsContact O-N 3.17Å; S275-S277 PolarHBondContact O-N 2.83Å; S275-S277 PolarHBondContact O-OG 2.81Å
276	H	44	Very low	37.6	Very low	195 Å²	195	113.4 Å²	113.4	90%	0.903	64%	0.641	S	S	*	*			trans	-61.8	25.6	173.9	-72.2	-92.9	0	0	0	114.7	S278	H276-S278 PolarHBondContact O-N 2.87Å
277	S	35.9	Very low	38.6	Very low	43 Å²	43	118.8 Å²	118.8	30%	0.301	66%	0.656	S	S	.	*			trans	-74.6	114.1	173.5	56.1	0	0	0	0	109.2	S275 G279 P316	S275-S277 PolarHBondContact O-N 2.83Å; S275-S277 PolarHBondContact O-OG 2.81Å; S277-G279 PolarHBondContact O-N 2.03Å; S277-P316 VanDerWaalsContact CB-CG 3.45Å; S277-P316 WeakPolarHBondContact OG-CG 3.25Å
278	S	34.4	Very low	39.8	Very low	116 Å²	116	116 Å²	116	81%	0.811	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	22.6	160.2	39.9	0	0	0	0	114.1	H276 F280	H276-S278 PolarHBondContact O-N 2.87Å; S278-F280 PolarHBondContact O-N 2.92Å
279	G	30.3	Very low	41.7	Very low	56 Å²	56	114.1 Å²	114.1	58%	0.577	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-5.1	-173	0	0	0	0	0	115.8	S277 S281	S277-G279 PolarHBondContact O-N 2.03Å; G279-S281 PolarHBondContact O-N 3.42Å; G279-S281 VanDerWaalsContact O-N 3.12Å
280	F	32.2	Very low	43.8	Very low	125 Å²	125	108.8 Å²	108.8	55%	0.548	60%	0.597	S	S	.	*			trans	-86.9	57.9	170.8	-76.4	-82.8	0	0	0	110.9	S278	S278-F280 PolarHBondContact O-N 2.92Å
281	S	29.4	Very low	46	Very low	88 Å²	88	104.5 Å²	104.5	62%	0.615	57%	0.567	S	S	*	*			trans	-126.4	83.8	168.6	55.6	0	0	0	0	108.3	G279	G279-S281 PolarHBondContact O-N 3.42Å; G279-S281 VanDerWaalsContact O-N 3.12Å
282	K	27.3	Very low	47.6	Very low	202 Å²	202	105.4 Å²	105.4	88%	0.878	57%	0.567	S	S	*	*	S	Bend	trans	137.6	66.7	163.9	-76.8	167.4	179.5	179.4	0	112.8
283	L	29.5	Very low	48.8	Very low	138 Å²	138	105.7 Å²	105.7	72%	0.723	57%	0.572	S	S	*	*			trans	-143.6	124.1	149.3	-105.1	113.5	0	0	0	106.8	N285	L283-N285 PolarHBondContact O-N 3.15Å
284	E	28.6	Very low	49.7	Very low	184 Å²	184	112.5 Å²	112.5	86%	0.86	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	125.6	173.9	-72.7	175	142.3	0	0	108.9
285	N	35.2	Very low	51.1	Low	126 Å²	126	115 Å²	115	67%	0.674	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	96	17	168.4	-47.1	-48.4	0	0	0	120.5	L283 K287	L283-N285 PolarHBondContact O-N 3.15Å; N285-K287 PolarHBondContact O-N 2.97Å
286	Y	40.3	Very low	52.8	Low	227 Å²	227	117.1 Å²	117.1	89%	0.89	61%	0.612	S	S	*	*			trans	53.4	20.1	162.3	-69.2	-88.3	0	0	0	116.1
287	K	50	Low	54	Low	179 Å²	179	108.7 Å²	108.7	78%	0.778	58%	0.575	S	S	*	*			trans	-101.9	122.9	-174.9	-86.3	180	-178.6	177.7	0	110.6	N285 L289	N285-K287 PolarHBondContact O-N 2.97Å; K287-L289 PolarHBondContact O-N 2.98Å
288	P	55.4	Low	55.8	Low	47 Å²	47	109.3 Å²	109.3	31%	0.305	58%	0.578	S	S	.	*			trans	-63.1	129.5	175.8	19	-25.1	0	0	0	110.6	I272 P290 F313	I272-P288 HydrophobicContact CB-CB 4.05Å; I272-P288 HydrophobicContact CB-CG 4.28Å; I272-P288 HydrophobicContact CD1-CB 3.65Å; I272-P288 HydrophobicContact CD1-CG 3.09Å; I272-P288 HydrophobicContact CG1-CB 4.07Å; I272-P288 HydrophobicContact CG1-CG 3.73Å; I272-P288 HydrophobicContact CG2-CB 4.43Å; P288-P290 WeakPolarHBondContact O-CD 3.14Å; P288-F313 HydrophobicContact CB-CD1 3.87Å; P288-F313 HydrophobicContact CB-CE1 3.91Å; P288-F313 HydrophobicContact CG-CE1 4.21Å
289	L	71.4	Confident	56.9	Low	73 Å²	73	112.7 Å²	112.7	38%	0.382	59%	0.586	S	S	.	*			trans	-83.6	114.2	-173.2	-174.8	68.2	0	0	0	110.4	K287 P298 F313 C314	K287-L289 PolarHBondContact O-N 2.98Å; L289-P298 HydrophobicContact CD2-CG 4.27Å; L289-F313 CarbonylContact O-C 3.38Å; L289-F313 VanDerWaalsContact O-CA 3.31Å; L289-F313 WeakPolarHBondContact O-CA 3.06Å; L289-C314 HydrophobicContact CB-CB 4.32Å; L289-C314 HydrophobicContact CD2-CB 4.33Å; L289-C314 PolarHBondContact O-N 2.04Å
290	P	82.4	Confident	58	Low	82 Å²	82	112.9 Å²	112.9	53%	0.532	59%	0.588	S	S	.	*	B	Isolated β-bridge	trans	-68.4	151.2	173.8	29.1	-34	0	0	0	111.1	P288 H312	P288-P290 WeakPolarHBondContact O-CD 3.14Å; P290-H312 WeakPolarHBondContact CA-O 3Å
291	C	86.8	Confident	59.6	Low	11 Å²	11	109.1 Å²	109.1	7%	0.074	57%	0.573	C	S	.	*			trans	-142.3	161.5	179.4	60.6	0	0	0	0	111.6	D296 C303 H312 F313 C314	C291-D296 HydrophobicContact CB-CB 3.95Å; C291-C303 VanDerWaalsContact C-SG 3.59Å; C291-C303 HydrophobicContact CB-CB 3.88Å; C291-C303 WeakPolarHBondContact CB-SG 2.96Å; C291-C303 WeakPolarHBondContact SG-CA 3.46Å; C291-C303 WeakPolarHBondContact SG-CB 3.43Å; C291-C303 CovalentContact SG-SG 2.04Å; C291-C303 PolarHBondContact SG-SG 3.17Å; C291-H312 PolarHBondContact N-O 3.43Å; C291-H312 WeakPolarHBondContact O-CB 3.06Å; C291-F313 VanDerWaalsContact SG-CA 3.58Å; C291-F313 PolarHBondContact SG-N 3.12Å; C291-F313 PolarHBondContact SG-O 2.89Å; C291-C314 VanDerWaalsContact CB-SG 3.59Å
292	V	84.7	Confident	61.6	Low	134 Å²	134	106.8 Å²	106.8	81%	0.812	56%	0.556	S	S	*	*	S	Bend	trans	-118.5	-28.7	172.9	-175.7	0	0	0	0	110.5	D296	V292-D296 WeakPolarHBondContact CA-OD2 3.28Å; V292-D296 PolarHBondContact N-OD2 2.98Å
293	S	81.6	Confident	64.2	Low	41 Å²	41	98.5 Å²	98.5	29%	0.287	52%	0.523	S	S	.	.	S	Bend	trans	-143.4	169.1	-176.9	76.1	0	0	0	0	111.2	I295 D296 C303	S293-I295 PolarHBondContact O-N 3.49Å; S293-I295 PolarHBondContact OG-N 2.97Å; S293-D296 PolarHBondContact N-OD2 2.76Å; S293-D296 PolarHBondContact O-N 3Å; S293-D296 PolarHBondContact OG-OD2 2.85Å; S293-D296 VanDerWaalsContact OG-OD2 3.08Å; S293-C303 WeakPolarHBondContact O-CB 3.31Å
294	K	70.5	Confident	66.5	Low	160 Å²	160	93 Å²	93	70%	0.696	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-60.5	-24.1	176	-171.6	176.8	178.6	-177.7	0	113.3	D296	K294-D296 VanDerWaalsContact C-N 3.32Å
295	I	79.7	Confident	68.9	Low	156 Å²	156	89.5 Å²	89.5	80%	0.8	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-78	-22.1	-175.3	-34.2	171.3	0	0	0	111.2	S293 C297	S293-I295 PolarHBondContact O-N 3.49Å; S293-I295 PolarHBondContact OG-N 2.97Å; I295-C297 PolarHBondContact O-N 3.15Å
296	D	78.2	Confident	70.4	Confident	77 Å²	77	84 Å²	84	41%	0.412	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-77.4	-4.3	179.4	-53.1	-43.5	0	0	0	112.7	C291 V292 S293 K294	C291-D296 HydrophobicContact CB-CB 3.95Å; V292-D296 WeakPolarHBondContact CA-OD2 3.28Å; V292-D296 PolarHBondContact N-OD2 2.98Å; S293-D296 PolarHBondContact N-OD2 2.76Å; S293-D296 PolarHBondContact O-N 3Å; S293-D296 PolarHBondContact OG-OD2 2.85Å; S293-D296 VanDerWaalsContact OG-OD2 3.08Å; K294-D296 VanDerWaalsContact C-N 3.32Å
297	C	70.6	Confident	71.5	Confident	18 Å²	18	83.9 Å²	83.9	12%	0.122	44%	0.444	C	S	.	.	S	Bend	trans	-107.2	136.9	-174.6	-65	0	0	0	0	112.4	I295 L301 C314	I295-C297 PolarHBondContact O-N 3.15Å; C297-L301 HydrophobicContact CB-CB 3.95Å; C297-C314 WeakPolarHBondContact CA-SG 2.86Å; C297-C314 HydrophobicContact CB-CB 3.84Å; C297-C314 WeakPolarHBondContact CB-SG 3.28Å; C297-C314 WeakPolarHBondContact SG-CA 3.43Å; C297-C314 WeakPolarHBondContact SG-CB 3.3Å; C297-C314 CovalentContact SG-SG 2.05Å; C297-C314 PolarHBondContact SG-SG 2.88Å
298	P	73	Confident	71.9	Confident	55 Å²	55	80.9 Å²	80.9	36%	0.357	44%	0.443	S	S	.	.			trans	-51.5	154.6	170.3	-25.8	30.5	0	0	0	113.2	L289 G300 L301	L289-P298 HydrophobicContact CD2-CG 4.27Å; P298-G300 PolarHBondContact O-N 2.76Å; P298-L301 HydrophobicContact CB-CD1 4.18Å; P298-L301 HydrophobicContact CG-CD1 4.05Å; P298-L301 WeakPolarHBondContact O-CB 3.36Å; P298-L301 PolarHBondContact O-N 3.4Å
299	L	57.2	Low	72.4	Confident	188 Å²	188	82.4 Å²	82.4	98%	0.984	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	125.9	174.1	-105.7	129.9	0	0	0	110.8
300	G	52.9	Low	72.5	Confident	60 Å²	60	81.5 Å²	81.5	62%	0.619	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	1.3	-177.6	0	0	0	0	0	115.6	P298 P317	P298-G300 PolarHBondContact O-N 2.76Å; G300-P317 WeakPolarHBondContact O-CD 3.05Å
301	L	66.1	Low	72.5	Confident	45 Å²	45	84 Å²	84	24%	0.236	46%	0.455	C	S	.	.			trans	-114.6	156.2	174.4	-60.3	177.1	0	0	0	111.7	C297 P298 C314 P316	C297-L301 HydrophobicContact CB-CB 3.95Å; P298-L301 HydrophobicContact CB-CD1 4.18Å; P298-L301 HydrophobicContact CG-CD1 4.05Å; P298-L301 WeakPolarHBondContact O-CB 3.36Å; P298-L301 PolarHBondContact O-N 3.4Å; L301-C314 HydrophobicContact CB-CB 4.26Å; L301-C314 HydrophobicContact CD1-CB 4.05Å; L301-P316 HydrophobicContact CD2-CB 4Å; L301-P316 HydrophobicContact CD2-CG 4.25Å
302	T	72.9	Confident	72.4	Confident	40 Å²	40	87.5 Å²	87.5	25%	0.245	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.8	174	-165.4	0	0	0	0	110.4	Q304 C315 P317	T302-Q304 HydrophobicContact CG2-CG 3.65Å; T302-Q304 PolarHBondContact O-N 3.05Å; T302-C315 CarbonylContact C-O 3.55Å; T302-C315 WeakPolarHBondContact CG2-O 2.97Å; T302-C315 PolarHBondContact N-O 2.74Å; T302-C315 PolarHBondContact O-N 3.46Å; T302-P317 HydrophobicContact CG2-CB 4.33Å
303	C	80.8	Confident	72.3	Confident	28 Å²	28	81.2 Å²	81.2	19%	0.189	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	116.3	179.2	-170.3	0	0	0	0	110.1	C291 S293	C291-C303 VanDerWaalsContact C-SG 3.59Å; C291-C303 HydrophobicContact CB-CB 3.88Å; C291-C303 WeakPolarHBondContact CB-SG 2.96Å; C291-C303 WeakPolarHBondContact SG-CA 3.46Å; C291-C303 WeakPolarHBondContact SG-CB 3.43Å; C291-C303 CovalentContact SG-SG 2.04Å; C291-C303 PolarHBondContact SG-SG 3.17Å; S293-C303 WeakPolarHBondContact O-CB 3.31Å
304	Q	77.6	Confident	72	Confident	23 Å²	23	79.3 Å²	79.3	11%	0.107	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.2	-174.6	-62.4	-176.4	6	0	0	112.2	T302 H312 F313 C315 P316	T302-Q304 HydrophobicContact CG2-CG 3.65Å; T302-Q304 PolarHBondContact O-N 3.05Å; Q304-H312 CarbonylContact O-C 3.51Å; Q304-H312 VanDerWaalsContact O-CA 3.25Å; Q304-H312 WeakPolarHBondContact O-CA 3.34Å; Q304-F313 PolarHBondContact N-O 3.36Å; Q304-F313 PolarHBondContact O-N 3.25Å; Q304-C315 HydrophobicContact CB-CB 4.05Å; Q304-C315 HydrophobicContact CG-CB 3.83Å; Q304-C315 VanDerWaalsContact OE1-CB 3.26Å; Q304-P316 PolarHBondContact NE2-O 3.27Å
305	F	78.7	Confident	71.7	Confident	110 Å²	110	71.7 Å²	71.7	48%	0.482	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.9	175.2	-173.3	-102.1	0	0	0	111.5	R307 H312	F305-R307 HydrophobicContact CD1-CG 4.16Å; F305-R307 HydrophobicContact CE1-CG 4.11Å; F305-H312 AromaticContact CD2-CD2 3.99Å; F305-H312 AromaticContact CD2-CE1 3.67Å; F305-H312 AromaticContact CD2-ND1 3.97Å; F305-H312 AromaticContact CD2-NE2 3.65Å
306	I	67.9	Low	70.6	Confident	9 Å²	9	65.2 Å²	65.2	5%	0.046	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	102	-178.5	-55.9	-57.6	0	0	0	109.9	I272 L309 G310 R311 F313	I272-I306 HydrophobicContact CG2-CB 4.42Å; I272-I306 HydrophobicContact CG2-CG1 3.83Å; I272-I306 HydrophobicContact CG2-CG2 4.27Å; I272-I306 WeakPolarHBondContact O-CD1 3.41Å; I272-I306 WeakPolarHBondContact O-CG2 3.39Å; I306-L309 HydrophobicContact CB-CB 4.44Å; I306-L309 HydrophobicContact CG2-CB 4.16Å; I306-L309 HydrophobicContact CG2-CD1 3.91Å; I306-L309 HydrophobicContact CG2-CG 4.02Å; I306-L309 PolarHBondContact O-N 2.8Å; I306-G310 PolarHBondContact O-N 2.03Å; I306-R311 PolarHBondContact N-O 2.85Å; I306-F313 HydrophobicContact CB-CD2 4.18Å; I306-F313 HydrophobicContact CB-CE2 4.49Å; I306-F313 HydrophobicContact CG1-CB 4.46Å; I306-F313 HydrophobicContact CG1-CD2 3.69Å; I306-F313 HydrophobicContact CG1-CE2 4.43Å
307	R	64.1	Low	69.5	Low	225 Å²	225	64.8 Å²	64.8	85%	0.849	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-45.4	-175.2	-82	-170.3	-96.1	-160.5	-5.3	114.4	F305 L309	F305-R307 HydrophobicContact CD1-CG 4.16Å; F305-R307 HydrophobicContact CE1-CG 4.11Å; R307-L309 PolarHBondContact O-N 2.89Å; R307-L309 VanDerWaalsContact O-N 3.15Å
308	P	58	Low	68.4	Low	117 Å²	117	69.5 Å²	69.5	76%	0.76	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.6	177.7	-24.5	34.6	0	0	0	115.2
309	L	64.9	Low	66.7	Low	79 Å²	79	73.9 Å²	73.9	41%	0.414	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-11.2	-172.8	-61.9	178.2	0	0	0	114.2	I272 I306 R307 R311 F313	I272-L309 HydrophobicContact CB-CD1 4.22Å; I272-L309 HydrophobicContact CD1-CD1 3.54Å; I272-L309 HydrophobicContact CG1-CD1 3.73Å; I272-L309 HydrophobicContact CG2-CD1 3.76Å; I306-L309 HydrophobicContact CB-CB 4.44Å; I306-L309 HydrophobicContact CG2-CB 4.16Å; I306-L309 HydrophobicContact CG2-CD1 3.91Å; I306-L309 HydrophobicContact CG2-CG 4.02Å; I306-L309 PolarHBondContact O-N 2.8Å; R307-L309 PolarHBondContact O-N 2.89Å; R307-L309 VanDerWaalsContact O-N 3.15Å; L309-R311 VanDerWaalsContact C-N 3.27Å; L309-R311 HydrophobicContact CB-CG 4.21Å; L309-R311 PolarHBondContact O-N 3.2Å; L309-F313 HydrophobicContact CB-CE2 4.36Å; L309-F313 HydrophobicContact CD1-CE2 3.78Å; L309-F313 HydrophobicContact CD1-CZ 4.21Å
310	G	74.3	Confident	65.5	Low	54 Å²	54	69.9 Å²	69.9	56%	0.557	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	21	176.9	0	0	0	0	0	115.3	I306	I306-G310 PolarHBondContact O-N 2.03Å
311	R	82.2	Confident	64.5	Low	134 Å²	134	74 Å²	74	51%	0.506	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.3	-179.4	51.5	171.7	169.7	169.9	7.9	112.3	I306 L309 F313	I306-R311 PolarHBondContact N-O 2.85Å; L309-R311 VanDerWaalsContact C-N 3.27Å; L309-R311 HydrophobicContact CB-CG 4.21Å; L309-R311 PolarHBondContact O-N 3.2Å; R311-F313 VanDerWaalsContact CD-CZ 3.49Å; R311-F313 HydrophobicContact CG-CD2 4.26Å; R311-F313 HydrophobicContact CG-CE2 3.45Å; R311-F313 VanDerWaalsContact CG-CE2 3.45Å; R311-F313 HydrophobicContact CG-CZ 3.82Å
312	H	84.8	Confident	63	Low	84 Å²	84	77.5 Å²	77.5	39%	0.389	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143.1	-179.6	-65.3	94.8	0	0	0	112.1	P290 C291 Q304 F305	P290-H312 WeakPolarHBondContact CA-O 3Å; C291-H312 PolarHBondContact N-O 3.43Å; C291-H312 WeakPolarHBondContact O-CB 3.06Å; Q304-H312 CarbonylContact O-C 3.51Å; Q304-H312 VanDerWaalsContact O-CA 3.25Å; Q304-H312 WeakPolarHBondContact O-CA 3.34Å; F305-H312 AromaticContact CD2-CD2 3.99Å; F305-H312 AromaticContact CD2-CE1 3.67Å; F305-H312 AromaticContact CD2-ND1 3.97Å; F305-H312 AromaticContact CD2-NE2 3.65Å
313	F	82.1	Confident	61.1	Low	2 Å²	2	79.2 Å²	79.2	1%	0.009	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.5	177.1	-67.3	-87.1	0	0	0	111.9	I272 P288 L289 C291 Q304 I306 L309 R311 C315	I272-F313 HydrophobicContact CD1-CE1 3.8Å; I272-F313 HydrophobicContact CD1-CE2 3.95Å; I272-F313 HydrophobicContact CD1-CZ 3.4Å; I272-F313 VanDerWaalsContact CD1-CZ 3.4Å; I272-F313 HydrophobicContact CG2-CB 4.18Å; I272-F313 HydrophobicContact CG2-CD1 4.17Å; I272-F313 HydrophobicContact CG2-CD2 3.37Å; I272-F313 HydrophobicContact CG2-CE1 4.3Å; I272-F313 HydrophobicContact CG2-CE2 3.46Å; I272-F313 VanDerWaalsContact CG2-CE2 3.46Å; I272-F313 HydrophobicContact CG2-CG 3.67Å; I272-F313 HydrophobicContact CG2-CZ 3.91Å; P288-F313 HydrophobicContact CB-CD1 3.87Å; P288-F313 HydrophobicContact CB-CE1 3.91Å; P288-F313 HydrophobicContact CG-CE1 4.21Å; L289-F313 CarbonylContact O-C 3.38Å; L289-F313 VanDerWaalsContact O-CA 3.31Å; L289-F313 WeakPolarHBondContact O-CA 3.06Å; C291-F313 VanDerWaalsContact SG-CA 3.58Å; C291-F313 PolarHBondContact SG-N 3.12Å; C291-F313 PolarHBondContact SG-O 2.89Å; Q304-F313 PolarHBondContact N-O 3.36Å; Q304-F313 PolarHBondContact O-N 3.25Å; I306-F313 HydrophobicContact CB-CD2 4.18Å; I306-F313 HydrophobicContact CB-CE2 4.49Å; I306-F313 HydrophobicContact CG1-CB 4.46Å; I306-F313 HydrophobicContact CG1-CD2 3.69Å; I306-F313 HydrophobicContact CG1-CE2 4.43Å; L309-F313 HydrophobicContact CB-CE2 4.36Å; L309-F313 HydrophobicContact CD1-CE2 3.78Å; L309-F313 HydrophobicContact CD1-CZ 4.21Å; R311-F313 VanDerWaalsContact CD-CZ 3.49Å; R311-F313 HydrophobicContact CG-CD2 4.26Å; R311-F313 HydrophobicContact CG-CE2 3.45Å; R311-F313 VanDerWaalsContact CG-CE2 3.45Å; R311-F313 HydrophobicContact CG-CZ 3.82Å; F313-C315 PolarHBondContact O-N 3.23Å
314	C	75.8	Confident	58.8	Low	2 Å²	2	82.9 Å²	82.9	1%	0.014	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	110.9	170.7	-65.3	0	0	0	0	109.8	L289 C291 C297 L301	L289-C314 HydrophobicContact CB-CB 4.32Å; L289-C314 HydrophobicContact CD2-CB 4.33Å; L289-C314 PolarHBondContact O-N 2.04Å; C291-C314 VanDerWaalsContact CB-SG 3.59Å; C297-C314 WeakPolarHBondContact CA-SG 2.86Å; C297-C314 HydrophobicContact CB-CB 3.84Å; C297-C314 WeakPolarHBondContact CB-SG 3.28Å; C297-C314 WeakPolarHBondContact SG-CA 3.43Å; C297-C314 WeakPolarHBondContact SG-CB 3.3Å; C297-C314 CovalentContact SG-SG 2.05Å; C297-C314 PolarHBondContact SG-SG 2.88Å; L301-C314 HydrophobicContact CB-CB 4.26Å; L301-C314 HydrophobicContact CD1-CB 4.05Å
315	C	63.9	Low	56.7	Low	0 Å²	0	90.9 Å²	90.9	0%	0	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.9	179.1	-63	0	0	0	0	108.4	C273 T302 Q304 F313	C273-C315 HydrophobicContact CB-CB 3.71Å; C273-C315 WeakPolarHBondContact CB-SG 3.26Å; C273-C315 VanDerWaalsContact SG-CA 3.53Å; C273-C315 WeakPolarHBondContact SG-CB 3.06Å; C273-C315 CovalentContact SG-SG 2.03Å; C273-C315 PolarHBondContact SG-SG 2.05Å; T302-C315 CarbonylContact C-O 3.55Å; T302-C315 WeakPolarHBondContact CG2-O 2.97Å; T302-C315 PolarHBondContact N-O 2.74Å; T302-C315 PolarHBondContact O-N 3.46Å; Q304-C315 HydrophobicContact CB-CB 4.05Å; Q304-C315 HydrophobicContact CG-CB 3.83Å; Q304-C315 VanDerWaalsContact OE1-CB 3.26Å; F313-C315 PolarHBondContact O-N 3.23Å
316	P	57.4	Low	54.3	Low	20 Å²	20	93.8 Å²	93.8	13%	0.13	49%	0.487	C	S	.	.			trans	-59.3	146.3	177.1	13.9	-20.3	0	0	0	111.2	S277 L301 Q304 M318	S277-P316 VanDerWaalsContact CB-CG 3.45Å; S277-P316 WeakPolarHBondContact OG-CG 3.25Å; L301-P316 HydrophobicContact CD2-CB 4Å; L301-P316 HydrophobicContact CD2-CG 4.25Å; Q304-P316 PolarHBondContact NE2-O 3.27Å; P316-M318 PolarHBondContact O-N 3.2Å
317	P	53.7	Low	52.5	Low	68 Å²	68	97.3 Å²	97.3	44%	0.442	51%	0.505	S	S	.	.			trans	-51.9	136.5	-176.5	20.7	-31.1	0	0	0	110.8	G300 T302 L319	G300-P317 WeakPolarHBondContact O-CD 3.05Å; T302-P317 HydrophobicContact CG2-CB 4.33Å; P317-L319 VanDerWaalsContact C-N 3.29Å; P317-L319 PolarHBondContact O-N 2.72Å
318	M	47.3	Very low	50.7	Low	117 Å²	117	90.4 Å²	90.4	58%	0.576	50%	0.496	S	S	*	.			trans	-61.8	97.8	169.3	-70.3	-75.6	150.2	0	0	106.7	P316	P316-M318 PolarHBondContact O-N 3.2Å
319	L	38.3	Very low	49.3	Very low	146 Å²	146	87.1 Å²	87.1	76%	0.764	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-57.9	136.8	166.8	-73	165.7	0	0	0	107	P317 K321	P317-L319 VanDerWaalsContact C-N 3.29Å; P317-L319 PolarHBondContact O-N 2.72Å; L319-K321 PolarHBondContact O-N 3.42Å
320	P	32	Very low	47.7	Very low	105 Å²	105	87.8 Å²	87.8	68%	0.682	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-51.1	130.6	171	20.8	-28.8	0	0	0	107.7	S322	P320-S322 PolarHBondContact O-N 3.46Å
321	K	32.7	Very low	45.8	Very low	147 Å²	147	88.1 Å²	88.1	64%	0.639	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-59.5	142.4	-173.7	-67.1	176.5	178.4	176.5	0	108.3	L319 S323 D324	L319-K321 PolarHBondContact O-N 3.42Å; K321-S323 WeakPolarHBondContact CB-OG 3Å; K321-S323 VanDerWaalsContact CD-OG 3.23Å; K321-S323 WeakPolarHBondContact CD-OG 3.32Å; K321-S323 PolarHBondContact O-N 3.24Å; K321-D324 PolarHBondContact O-N 3.01Å
322	S	32.8	Very low	43.8	Very low	118 Å²	118	87.1 Å²	87.1	83%	0.825	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-0.2	163.1	82.8	0	0	0	0	112.7	P320 D324	P320-S322 PolarHBondContact O-N 3.46Å; S322-D324 VanDerWaalsContact C-N 3.33Å
323	S	33.9	Very low	41.8	Very low	75 Å²	75	84 Å²	84	52%	0.524	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.5	168.6	67.1	0	0	0	0	113.6	K321	K321-S323 WeakPolarHBondContact CB-OG 3Å; K321-S323 VanDerWaalsContact CD-OG 3.23Å; K321-S323 WeakPolarHBondContact CD-OG 3.32Å; K321-S323 PolarHBondContact O-N 3.24Å
324	D	33.2	Very low	40.4	Very low	105 Å²	105	88.8 Å²	88.8	56%	0.561	51%	0.511	S	S	*	.	S	Bend	trans	-99.1	-7.7	-175.2	-60.4	-17	0	0	0	112.6	K321 S322	K321-D324 PolarHBondContact O-N 3.01Å; S322-D324 VanDerWaalsContact C-N 3.33Å
325	Y	33.5	Very low	39.6	Very low	191 Å²	191	90.9 Å²	90.9	75%	0.749	52%	0.522	S	S	*	.	S	Bend	trans	-135.2	110.3	167.6	-73.4	-90.6	0	0	0	109.1
326	H	27.3	Very low	39.5	Very low	172 Å²	172	91.5 Å²	91.5	80%	0.796	53%	0.526	S	S	*	.			trans	-58.3	164.5	166.9	-79.6	-85.4	0	0	0	110.8
327	I	29.8	Very low	39.7	Very low	83 Å²	83	94.7 Å²	94.7	43%	0.426	55%	0.547	S	S	.	.			trans	111.1	92.7	165	-43.6	136.2	0	0	0	111.4	P346 T347	I327-P346 WeakPolarHBondContact CD1-O 3.48Å; I327-T347 WeakPolarHBondContact CB-O 3.21Å; I327-T347 VanDerWaalsContact CG2-C 3.48Å; I327-T347 WeakPolarHBondContact CG2-O 3.49Å
328	A	26.5	Very low	39.8	Very low	80 Å²	80	96.1 Å²	96.1	66%	0.661	55%	0.55	S	S	*	.				68	89.4	76	0	0	0	0	0	114.3	Q349	A328-Q349 PolarHBondContact O-NE2 2.78Å; A328-Q349 VanDerWaalsContact O-NE2 3.16Å
329	G	28.6	Very low	40.5	Very low	47 Å²	47	92.9 Å²	92.9	49%	0.485	55%	0.546	S	S	.	.			trans	76.5	89.6	145.3	0	0	0	0	0	117.2	Q349	G329-Q349 WeakPolarHBondContact O-CG 3.05Å; G329-Q349 PolarHBondContact O-NE2 3.38Å
330	L	31.6	Very low	41.7	Very low	94 Å²	94	93 Å²	93	49%	0.492	54%	0.542	S	S	.	.			trans	-162.4	129.9	134.2	-114.7	117.4	0	0	0	105.3	V332 Q349 P350	L330-V332 PolarHBondContact O-N 3.37Å; L330-Q349 HydrophobicContact CB-CG 4.47Å; L330-Q349 HydrophobicContact CD1-CB 3.86Å; L330-Q349 HydrophobicContact CD1-CG 3.73Å; L330-P350 HydrophobicContact CB-CG 3.86Å; L330-P350 HydrophobicContact CD2-CB 4.4Å; L330-P350 HydrophobicContact CD2-CG 3.84Å; L330-P350 HydrophobicContact CG-CG 4.38Å
331	G	34.9	Very low	43.7	Very low	61 Å²	61	88.8 Å²	88.8	63%	0.629	51%	0.514	S	S	*	.			trans	-52.5	137.2	177.9	0	0	0	0	0	109.4	L333	G331-L333 VanDerWaalsContact C-N 3.33Å; G331-L333 PolarHBondContact O-N 3.21Å
332	V	39.9	Very low	45.5	Very low	113 Å²	113	84.3 Å²	84.3	69%	0.685	49%	0.494	S	S	*	.			trans	-51.6	100.9	176.1	178.3	0	0	0	0	108	L330 N334	L330-V332 PolarHBondContact O-N 3.37Å; V332-N334 HydrophobicContact CG1-CB 4.33Å; V332-N334 VanDerWaalsContact CG1-CG 3.42Å; V332-N334 WeakPolarHBondContact CG1-OD1 3.05Å; V332-N334 PolarHBondContact O-N 2.91Å; V332-N334 VanDerWaalsContact O-N 3.1Å
333	L	42.9	Very low	47.1	Very low	18 Å²	18	82.9 Å²	82.9	9%	0.094	48%	0.476	C	S	.	.			trans	-84.9	73.1	179.2	-149.8	78	0	0	0	106.7	G331 D335 L341 S369 A371 A372 I376	G331-L333 VanDerWaalsContact C-N 3.33Å; G331-L333 PolarHBondContact O-N 3.21Å; L333-D335 PolarHBondContact O-N 2.04Å; L333-L341 HydrophobicContact CB-CD2 4.04Å; L333-L341 WeakPolarHBondContact O-CD2 3.44Å; L333-S369 WeakPolarHBondContact CD1-OG 3.33Å; L333-S369 WeakPolarHBondContact CD2-OG 3.37Å; L333-S369 WeakPolarHBondContact CG-OG 3.35Å; L333-A371 HydrophobicContact CD1-CB 4.25Å; L333-A372 HydrophobicContact CD1-CB 3.46Å; L333-A372 VanDerWaalsContact CD1-CB 3.46Å; L333-A372 HydrophobicContact CD2-CB 4Å; L333-A372 HydrophobicContact CG-CB 4.37Å; L333-I376 HydrophobicContact CD2-CB 4.28Å; L333-I376 HydrophobicContact CD2-CD1 4.06Å; L333-I376 HydrophobicContact CD2-CG1 4.29Å; L333-I376 HydrophobicContact CD2-CG2 3.2Å
334	N	52.2	Low	48	Very low	103 Å²	103	84.5 Å²	84.5	55%	0.551	47%	0.472	S	S	*	.			trans	-75.4	48.6	177.4	-84.3	-3.8	0	0	0	111.7	V332 C336	V332-N334 HydrophobicContact CG1-CB 4.33Å; V332-N334 VanDerWaalsContact CG1-CG 3.42Å; V332-N334 WeakPolarHBondContact CG1-OD1 3.05Å; V332-N334 PolarHBondContact O-N 2.91Å; V332-N334 VanDerWaalsContact O-N 3.1Å; N334-C336 VanDerWaalsContact C-N 3.32Å
335	D	59.9	Low	48.7	Very low	45 Å²	45	83.7 Å²	83.7	24%	0.241	47%	0.472	C	S	.	.			trans	-89.8	0.3	175.1	-83.1	2.4	0	0	0	112.1	L333 Q367 S369 E370 A371 I376	L333-D335 PolarHBondContact O-N 2.04Å; D335-Q367 PolarHBondContact O-NE2 3.28Å; D335-S369 VanDerWaalsContact OD2-C 3.3Å; D335-S369 WeakPolarHBondContact OD2-CA 3.22Å; D335-S369 WeakPolarHBondContact OD2-CB 3.46Å; D335-S369 PolarHBondContact OD2-OG 3.44Å; D335-E370 PolarHBondContact OD2-N 3.19Å; D335-A371 WeakPolarHBondContact OD2-CB 3.44Å; D335-A371 PolarHBondContact OD2-N 3.26Å; D335-I376 HydrophobicContact CB-CD1 3.79Å
336	C	62.2	Low	49.2	Very low	14 Å²	14	78.3 Å²	78.3	10%	0.095	46%	0.46	C	S	.	.			trans	-74.1	124.8	170.8	-62.8	0	0	0	0	110.2	N334 I338 C378	N334-C336 VanDerWaalsContact C-N 3.32Å; C336-I338 PolarHBondContact O-N 3.08Å; C336-C378 WeakPolarHBondContact CA-SG 3.25Å; C336-C378 HydrophobicContact CB-CB 3.7Å; C336-C378 WeakPolarHBondContact CB-SG 3.38Å; C336-C378 WeakPolarHBondContact SG-CA 3.4Å; C336-C378 WeakPolarHBondContact SG-CB 3.3Å; C336-C378 CovalentContact SG-SG 2.04Å; C336-C378 PolarHBondContact SG-SG 2.97Å
337	P	60	Low	50	Low	87 Å²	87	72 Å²	72	57%	0.565	43%	0.434	S	S	*	.	S	Bend	trans	-65	-28.9	-175.2	23	-32.1	0	0	0	111.5	Y365	P337-Y365 WeakPolarHBondContact CD-OH 3.35Å; P337-Y365 WeakPolarHBondContact CG-OH 3.01Å
338	I	56.1	Low	51	Low	98 Å²	98	69.5 Å²	69.5	50%	0.503	43%	0.429	S	S	.	.	S	Bend	trans	-144.9	136.6	174	-56.5	173.6	0	0	0	107.9	C336 P379 V381	C336-I338 PolarHBondContact O-N 3.08Å; I338-P379 WeakPolarHBondContact O-CG 3.41Å; I338-V381 HydrophobicContact CB-CG2 3.43Å; I338-V381 VanDerWaalsContact CB-CG2 3.43Å; I338-V381 HydrophobicContact CD1-CB 4.38Å; I338-V381 HydrophobicContact CD1-CG1 4.35Å; I338-V381 HydrophobicContact CD1-CG2 3.69Å; I338-V381 HydrophobicContact CG1-CG2 4.07Å; I338-V381 HydrophobicContact CG2-CG2 3.44Å; I338-V381 VanDerWaalsContact CG2-CG2 3.44Å
339	G	61.5	Low	52.2	Low	48 Å²	48	69 Å²	69	50%	0.495	41%	0.413	S	S	.	.	S	Bend	trans	81.5	177.2	177.2	0	0	0	0	0	114.2
340	E	65.1	Low	53.6	Low	148 Å²	148	67.6 Å²	67.6	69%	0.692	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-93.1	143	-177.7	-61.7	-115.1	146.2	0	0	110.5	P379	E340-P379 VanDerWaalsContact O-CD 3.32Å; E340-P379 WeakPolarHBondContact O-CD 3.36Å
341	L	72.9	Confident	55.4	Low	18 Å²	18	65 Å²	65	9%	0.094	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-58.8	148.1	175.9	68.1	95.1	0	0	0	112	L333 L343 P350	L333-L341 HydrophobicContact CB-CD2 4.04Å; L333-L341 WeakPolarHBondContact O-CD2 3.44Å; L341-L343 HydrophobicContact CD1-CD2 3.33Å; L341-L343 HydrophobicContact CD1-CG 3.93Å; L341-L343 PolarHBondContact O-N 2.9Å; L341-P350 HydrophobicContact CD1-CB 3.77Å; L341-P350 HydrophobicContact CD1-CG 3.69Å
342	Y	70.6	Confident	57.1	Low	53 Å²	53	65.5 Å²	65.5	21%	0.208	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-72.9	122.4	175.2	-177.4	-94	0	0	0	111.6	P345 P350 L351 P361 Y364 C377	Y342-P345 VanDerWaalsContact OH-CD 3.3Å; Y342-P345 WeakPolarHBondContact OH-CD 3.3Å; Y342-P350 WeakPolarHBondContact O-CA 3.39Å; Y342-L351 HydrophobicContact CD1-CB 3.54Å; Y342-L351 HydrophobicContact CD1-CD2 3.82Å; Y342-L351 HydrophobicContact CD1-CG 4.33Å; Y342-L351 HydrophobicContact CE1-CB 4.07Å; Y342-L351 HydrophobicContact CE1-CD2 3.87Å; Y342-L351 PolarHBondContact O-N 3.13Å; Y342-P361 HydrophobicContact CD1-CG 3.92Å; Y342-P361 HydrophobicContact CD2-CG 3.79Å; Y342-P361 HydrophobicContact CE1-CG 3.66Å; Y342-P361 HydrophobicContact CE2-CB 4.2Å; Y342-P361 HydrophobicContact CE2-CG 3.54Å; Y342-P361 HydrophobicContact CG-CG 3.96Å; Y342-P361 VanDerWaalsContact CZ-CG 3.45Å; Y342-Y364 HydrophobicContact CD2-CD2 4.33Å; Y342-Y364 HydrophobicContact CD2-CE1 4.24Å; Y342-Y364 AromaticContact CD2-CE2 3.87Å; Y342-Y364 HydrophobicContact CD2-CE2 3.87Å; Y342-Y364 AromaticContact CD2-CZ 3.81Å; Y342-Y364 HydrophobicContact CG-CE1 4.38Å; Y342-C377 PolarHBondContact N-O 2.79Å
343	L	66.8	Low	58.5	Low	88 Å²	88	60.4 Å²	60.4	46%	0.461	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.3	171.2	-62.6	176.7	0	0	0	110.3	L341 P345 G348 Q349 P350	L341-L343 HydrophobicContact CD1-CD2 3.33Å; L341-L343 HydrophobicContact CD1-CG 3.93Å; L341-L343 PolarHBondContact O-N 2.9Å; L343-P345 VanDerWaalsContact O-CD 3.29Å; L343-P345 WeakPolarHBondContact O-CD 3.36Å; L343-G348 WeakPolarHBondContact CD2-O 3.38Å; L343-Q349 CarbonylContact C-O 3.2Å; L343-Q349 WeakPolarHBondContact CA-O 3.46Å; L343-P350 HydrophobicContact CD2-CG 4.31Å
344	Y	53.3	Low	59.8	Low	109 Å²	109	68.3 Å²	68.3	43%	0.427	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	114.5	175.8	-174.9	-122.6	0	0	0	109.4	P346 T347 G348 Q349 L351	Y344-P346 VanDerWaalsContact C-CD 3.41Å; Y344-P346 VanDerWaalsContact C-N 3.32Å; Y344-P346 HydrophobicContact CD1-CB 4.29Å; Y344-P346 HydrophobicContact CD1-CG 4.12Å; Y344-P346 HydrophobicContact CE1-CB 3.89Å; Y344-P346 HydrophobicContact CE1-CG 3.58Å; Y344-P346 HydrophobicContact CE2-CG 4.3Å; Y344-P346 VanDerWaalsContact O-N 3.12Å; Y344-T347 WeakPolarHBondContact CB-OG1 3.08Å; Y344-T347 HydrophobicContact CD1-CG2 3.76Å; Y344-T347 WeakPolarHBondContact CD1-OG1 3.06Å; Y344-T347 HydrophobicContact CE1-CG2 4.19Å; Y344-T347 PolarHBondContact O-N 2.81Å; Y344-T347 PolarHBondContact O-OG1 3.42Å; Y344-G348 PolarHBondContact O-N 3.37Å; Y344-Q349 PolarHBondContact N-O 2.84Å; Y344-L351 HydrophobicContact CD2-CD1 4.28Å
345	P	48	Very low	60	Low	87 Å²	87	69.6 Å²	69.6	57%	0.565	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.3	-167.5	-23.3	29.3	0	0	0	115.5	Y342 L343 T347	Y342-P345 VanDerWaalsContact OH-CD 3.3Å; Y342-P345 WeakPolarHBondContact OH-CD 3.3Å; L343-P345 VanDerWaalsContact O-CD 3.29Å; L343-P345 WeakPolarHBondContact O-CD 3.36Å; P345-T347 VanDerWaalsContact C-N 3.28Å; P345-T347 PolarHBondContact O-N 2.84Å
346	P	43.4	Very low	59.7	Low	78 Å²	78	76 Å²	76	51%	0.506	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.5	177.2	-20.7	34.2	0	0	0	115.5	I327 Y344	I327-P346 WeakPolarHBondContact CD1-O 3.48Å; Y344-P346 VanDerWaalsContact C-CD 3.41Å; Y344-P346 VanDerWaalsContact C-N 3.32Å; Y344-P346 HydrophobicContact CD1-CB 4.29Å; Y344-P346 HydrophobicContact CD1-CG 4.12Å; Y344-P346 HydrophobicContact CE1-CB 3.89Å; Y344-P346 HydrophobicContact CE1-CG 3.58Å; Y344-P346 HydrophobicContact CE2-CG 4.3Å; Y344-P346 VanDerWaalsContact O-N 3.12Å
347	T	43.7	Very low	59.3	Low	39 Å²	39	79.2 Å²	79.2	24%	0.239	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-10.5	-171.8	63	0	0	0	0	114.1	I327 Y344 P345 Q349	I327-T347 WeakPolarHBondContact CB-O 3.21Å; I327-T347 VanDerWaalsContact CG2-C 3.48Å; I327-T347 WeakPolarHBondContact CG2-O 3.49Å; Y344-T347 WeakPolarHBondContact CB-OG1 3.08Å; Y344-T347 HydrophobicContact CD1-CG2 3.76Å; Y344-T347 WeakPolarHBondContact CD1-OG1 3.06Å; Y344-T347 HydrophobicContact CE1-CG2 4.19Å; Y344-T347 PolarHBondContact O-N 2.81Å; Y344-T347 PolarHBondContact O-OG1 3.42Å; P345-T347 VanDerWaalsContact C-N 3.28Å; P345-T347 PolarHBondContact O-N 2.84Å; T347-Q349 WeakPolarHBondContact O-CG 3.32Å; T347-Q349 PolarHBondContact O-N 3.36Å; T347-Q349 PolarHBondContact OG1-N 3.28Å
348	G	51.6	Low	59.3	Low	31 Å²	31	79.6 Å²	79.6	32%	0.32	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	16.1	-175.2	0	0	0	0	0	114.1	L343 Y344	L343-G348 WeakPolarHBondContact CD2-O 3.38Å; Y344-G348 PolarHBondContact O-N 3.37Å
349	Q	50.4	Low	59.9	Low	70 Å²	70	80.7 Å²	80.7	33%	0.327	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	147.2	-179.6	-73.1	-177.7	-10	0	0	110.4	A328 G329 L330 L343 Y344 T347 L351	A328-Q349 PolarHBondContact O-NE2 2.78Å; A328-Q349 VanDerWaalsContact O-NE2 3.16Å; G329-Q349 WeakPolarHBondContact O-CG 3.05Å; G329-Q349 PolarHBondContact O-NE2 3.38Å; L330-Q349 HydrophobicContact CB-CG 4.47Å; L330-Q349 HydrophobicContact CD1-CB 3.86Å; L330-Q349 HydrophobicContact CD1-CG 3.73Å; L343-Q349 CarbonylContact C-O 3.2Å; L343-Q349 WeakPolarHBondContact CA-O 3.46Å; Y344-Q349 PolarHBondContact N-O 2.84Å; T347-Q349 WeakPolarHBondContact O-CG 3.32Å; T347-Q349 PolarHBondContact O-N 3.36Å; T347-Q349 PolarHBondContact OG1-N 3.28Å; Q349-L351 PolarHBondContact O-N 3.46Å
350	P	58.4	Low	60.5	Low	18 Å²	18	79.5 Å²	79.5	12%	0.117	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	127.3	169.5	-25.5	33.8	0	0	0	111.3	L330 L341 Y342 L343 S352 I376	L330-P350 HydrophobicContact CB-CG 3.86Å; L330-P350 HydrophobicContact CD2-CB 4.4Å; L330-P350 HydrophobicContact CD2-CG 3.84Å; L330-P350 HydrophobicContact CG-CG 4.38Å; L341-P350 HydrophobicContact CD1-CB 3.77Å; L341-P350 HydrophobicContact CD1-CG 3.69Å; Y342-P350 WeakPolarHBondContact O-CA 3.39Å; L343-P350 HydrophobicContact CD2-CG 4.31Å; P350-S352 PolarHBondContact O-N 2.96Å; P350-I376 HydrophobicContact CB-CG2 4.36Å
351	L	70	Confident	60.9	Low	38 Å²	38	74.2 Å²	74.2	20%	0.199	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-71	124.6	172.1	-177.8	70.1	0	0	0	109.6	Y342 Y344 Q349 P361 C377	Y342-L351 HydrophobicContact CD1-CB 3.54Å; Y342-L351 HydrophobicContact CD1-CD2 3.82Å; Y342-L351 HydrophobicContact CD1-CG 4.33Å; Y342-L351 HydrophobicContact CE1-CB 4.07Å; Y342-L351 HydrophobicContact CE1-CD2 3.87Å; Y342-L351 PolarHBondContact O-N 3.13Å; Y344-L351 HydrophobicContact CD2-CD1 4.28Å; Q349-L351 PolarHBondContact O-N 3.46Å; L351-P361 HydrophobicContact CD2-CG 4.13Å; L351-C377 PolarHBondContact O-N 2.81Å
352	S	69.7	Low	60.8	Low	72 Å²	72	81.3 Å²	81.3	50%	0.503	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.7	176.8	-169.1	0	0	0	0	111.8	P350 G375	P350-S352 PolarHBondContact O-N 2.96Å; S352-G375 CarbonylContact C-O 3.54Å; S352-G375 WeakPolarHBondContact CA-O 3.14Å; S352-G375 PolarHBondContact OG-O 2.78Å; S352-G375 VanDerWaalsContact OG-O 3.14Å
353	C	70.5	Confident	60.8	Low	6 Å²	6	84.3 Å²	84.3	4%	0.041	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	168.2	179.7	64.7	0	0	0	0	111.3	C366 G375 I376	C353-C366 VanDerWaalsContact C-SG 3.54Å; C353-C366 HydrophobicContact CB-CB 3.71Å; C353-C366 WeakPolarHBondContact CB-SG 3.43Å; C353-C366 WeakPolarHBondContact SG-CA 3.31Å; C353-C366 WeakPolarHBondContact SG-CB 3.37Å; C353-C366 CovalentContact SG-SG 2.03Å; C353-C366 PolarHBondContact SG-SG 2.66Å; C353-G375 PolarHBondContact N-O 3.18Å; C353-G375 WeakPolarHBondContact O-CA 3.38Å; C353-G375 VanDerWaalsContact SG-CA 3.59Å; C353-I376 VanDerWaalsContact SG-C 3.53Å; C353-I376 PolarHBondContact SG-N 3.03Å; C353-I376 PolarHBondContact SG-O 2.92Å; C353-I376 VanDerWaalsContact SG-O 3.36Å
354	R	68.5	Low	61.5	Low	184 Å²	184	83.5 Å²	83.5	69%	0.694	44%	0.435	S	S	*	.	B	Isolated β-bridge	trans	-123.1	138.1	173	-70.4	-175.6	-179.2	179	0.7	109.3	E356 V357	R354-E356 PolarHBondContact O-N 3.04Å; R354-E356 VanDerWaalsContact O-N 3.07Å; R354-V357 CarbonylContact O-C 3.29Å; R354-V357 PolarHBondContact O-N 3.1Å
355	L	56.6	Low	62.7	Low	131 Å²	131	82 Å²	82	69%	0.686	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.3	178.5	-70	173.1	0	0	0	113.6	V368	L355-V368 HydrophobicContact CD1-CG2 3.56Å; L355-V368 HydrophobicContact CD2-CG2 4.16Å; L355-V368 HydrophobicContact CG-CG2 3.88Å
356	E	53.8	Low	64.2	Low	178 Å²	178	78.7 Å²	78.7	83%	0.832	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-20.9	-179.3	-62.4	173.1	174.1	0	0	113.3	R354	R354-E356 PolarHBondContact O-N 3.04Å; R354-E356 VanDerWaalsContact O-N 3.07Å
357	V	54.8	Low	65.7	Low	83 Å²	83	77.4 Å²	77.4	50%	0.503	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-148.7	100.1	-178.4	-170.2	0	0	0	0	108.1	R354 H359	R354-V357 CarbonylContact O-C 3.29Å; R354-V357 PolarHBondContact O-N 3.1Å; V357-H359 WeakPolarHBondContact CG1-CE1 3.49Å; V357-H359 PolarHBondContact O-CE1 3.08Å; V357-H359 PolarHBondContact O-N 2.89Å; V357-H359 PolarHBondContact O-ND1 2.66Å
358	D	58.9	Low	66.9	Low	95 Å²	95	78.7 Å²	78.7	51%	0.508	40%	0.403	S	S	.	.			trans	-70.3	115	-178.1	-164.2	-3.6	0	0	0	110.6	C360	D358-C360 WeakPolarHBondContact OD1-CB 3.38Å; D358-C360 PolarHBondContact OD1-N 2.76Å; D358-C360 PolarHBondContact OD1-SG 3.41Å
359	H	68.6	Low	67.4	Low	120 Å²	120	77.2 Å²	77.2	56%	0.556	39%	0.388	S	S	*	.			trans	-104.5	11.8	177.8	-69.3	83.7	0	0	0	111.7	V357	V357-H359 WeakPolarHBondContact CG1-CE1 3.49Å; V357-H359 PolarHBondContact O-CE1 3.08Å; V357-H359 PolarHBondContact O-N 2.89Å; V357-H359 PolarHBondContact O-ND1 2.66Å
360	C	74.6	Confident	67.7	Low	23 Å²	23	83 Å²	83	16%	0.155	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-76.3	145.1	-177.2	-65.2	0	0	0	0	112.4	D358 C377	D358-C360 WeakPolarHBondContact OD1-CB 3.38Å; D358-C360 PolarHBondContact OD1-N 2.76Å; D358-C360 PolarHBondContact OD1-SG 3.41Å; C360-C377 WeakPolarHBondContact CA-SG 3.32Å; C360-C377 HydrophobicContact CB-CB 3.78Å; C360-C377 WeakPolarHBondContact CB-SG 3.19Å; C360-C377 WeakPolarHBondContact SG-CA 3.45Å; C360-C377 WeakPolarHBondContact SG-CB 3.42Å; C360-C377 CovalentContact SG-SG 2.04Å; C360-C377 PolarHBondContact SG-SG 2.85Å
361	P	74.4	Confident	67.1	Low	38 Å²	38	85.9 Å²	85.9	25%	0.247	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-62.9	163.3	174.2	-18.1	30	0	0	0	111.6	Y342 L351 N363 Y364	Y342-P361 HydrophobicContact CD1-CG 3.92Å; Y342-P361 HydrophobicContact CD2-CG 3.79Å; Y342-P361 HydrophobicContact CE1-CG 3.66Å; Y342-P361 HydrophobicContact CE2-CB 4.2Å; Y342-P361 HydrophobicContact CE2-CG 3.54Å; Y342-P361 HydrophobicContact CG-CG 3.96Å; Y342-P361 VanDerWaalsContact CZ-CG 3.45Å; L351-P361 HydrophobicContact CD2-CG 4.13Å; P361-N363 PolarHBondContact O-N 2.94Å; P361-Y364 HydrophobicContact CB-CD2 4.33Å; P361-Y364 WeakPolarHBondContact O-CB 3.18Å; P361-Y364 PolarHBondContact O-N 3.18Å
362	M	70	Confident	66.1	Low	166 Å²	166	86.4 Å²	86.4	82%	0.818	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	134.3	174	-81.5	-150.1	66.9	0	0	112.3	Y364	M362-Y364 VanDerWaalsContact C-N 3.33Å
363	N	70.8	Confident	65.4	Low	116 Å²	116	86 Å²	86	62%	0.62	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	16	-175.3	-48.9	-40.4	0	0	0	115.5	P361 P379 A380	P361-N363 PolarHBondContact O-N 2.94Å; N363-P379 WeakPolarHBondContact O-CA 3.4Å; N363-A380 PolarHBondContact O-N 2.85Å
364	Y	81.3	Confident	64.9	Low	71 Å²	71	88.7 Å²	88.7	28%	0.278	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.8	168.8	-68.8	-101.6	0	0	0	110.7	Y342 P361 M362 C377 C378 P379	Y342-Y364 HydrophobicContact CD2-CD2 4.33Å; Y342-Y364 HydrophobicContact CD2-CE1 4.24Å; Y342-Y364 AromaticContact CD2-CE2 3.87Å; Y342-Y364 HydrophobicContact CD2-CE2 3.87Å; Y342-Y364 AromaticContact CD2-CZ 3.81Å; Y342-Y364 HydrophobicContact CG-CE1 4.38Å; P361-Y364 HydrophobicContact CB-CD2 4.33Å; P361-Y364 WeakPolarHBondContact O-CB 3.18Å; P361-Y364 PolarHBondContact O-N 3.18Å; M362-Y364 VanDerWaalsContact C-N 3.33Å; Y364-C377 HydrophobicContact CD1-CB 4.28Å; Y364-C377 WeakPolarHBondContact CD1-O 3.29Å; Y364-C377 HydrophobicContact CG-CB 4.49Å; Y364-C378 CarbonylContact C-O 3.54Å; Y364-C378 WeakPolarHBondContact CA-O 3.21Å; Y364-C378 WeakPolarHBondContact CB-O 3.39Å; Y364-P379 HydrophobicContact CD1-CB 4.3Å; Y364-P379 HydrophobicContact CE1-CB 4.02Å; Y364-P379 HydrophobicContact CE1-CG 4.44Å
365	Y	78.2	Confident	65	Low	78 Å²	78	80.4 Å²	80.4	31%	0.306	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152	174.5	66.9	-83.7	0	0	0	110.6	P337 Q367 C377 C378 P379 A380	P337-Y365 WeakPolarHBondContact CD-OH 3.35Å; P337-Y365 WeakPolarHBondContact CG-OH 3.01Å; Y365-Q367 HydrophobicContact CD2-CB 4.31Å; Y365-Q367 HydrophobicContact CE2-CB 3.88Å; Y365-Q367 PolarHBondContact O-N 3.06Å; Y365-Q367 PolarHBondContact OH-OE1 3.32Å; Y365-Q367 VanDerWaalsContact OH-OE1 3.04Å; Y365-C377 WeakPolarHBondContact O-CA 3.31Å; Y365-C378 HydrophobicContact CD1-CB 4.29Å; Y365-C378 WeakPolarHBondContact CD1-O 3.37Å; Y365-C378 HydrophobicContact CE1-CB 3.75Å; Y365-C378 WeakPolarHBondContact CE1-O 3.1Å; Y365-C378 HydrophobicContact CE2-CB 4.22Å; Y365-C378 PolarHBondContact N-O 3.18Å; Y365-C378 PolarHBondContact O-N 2.79Å; Y365-P379 WeakPolarHBondContact CE1-O 3.42Å; Y365-A380 HydrophobicContact CD1-CB 4.37Å
366	C	79.6	Confident	66	Low	18 Å²	18	74.3 Å²	74.3	12%	0.122	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120.7	177.2	-170.1	0	0	0	0	111.8	C353 I376	C353-C366 VanDerWaalsContact C-SG 3.54Å; C353-C366 HydrophobicContact CB-CB 3.71Å; C353-C366 WeakPolarHBondContact CB-SG 3.43Å; C353-C366 WeakPolarHBondContact SG-CA 3.31Å; C353-C366 WeakPolarHBondContact SG-CB 3.37Å; C353-C366 CovalentContact SG-SG 2.03Å; C353-C366 PolarHBondContact SG-SG 2.66Å; C366-I376 WeakPolarHBondContact CA-O 3.36Å
367	Q	75.8	Confident	67.3	Low	50 Å²	50	65.9 Å²	65.9	23%	0.234	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.6	174.8	179.9	165.5	-23.4	0	0	110.4	D335 Y365 S369 G375 I376	D335-Q367 PolarHBondContact O-NE2 3.28Å; Y365-Q367 HydrophobicContact CD2-CB 4.31Å; Y365-Q367 HydrophobicContact CE2-CB 3.88Å; Y365-Q367 PolarHBondContact O-N 3.06Å; Y365-Q367 PolarHBondContact OH-OE1 3.32Å; Y365-Q367 VanDerWaalsContact OH-OE1 3.04Å; Q367-S369 PolarHBondContact O-N 3.3Å; Q367-G375 CarbonylContact O-C 3.55Å; Q367-G375 WeakPolarHBondContact O-CA 3.41Å; Q367-I376 PolarHBondContact N-O 2.89Å; Q367-I376 VanDerWaalsContact O-CG1 3.24Å; Q367-I376 WeakPolarHBondContact O-CG1 3.37Å; Q367-I376 PolarHBondContact O-N 3.07Å
368	V	69	Low	68.4	Low	67 Å²	67	61.9 Å²	61.9	41%	0.406	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.6	172.7	-179.2	0	0	0	0	108.7	L355 E370	L355-V368 HydrophobicContact CD1-CG2 3.56Å; L355-V368 HydrophobicContact CD2-CG2 4.16Å; L355-V368 HydrophobicContact CG-CG2 3.88Å; V368-E370 PolarHBondContact O-N 2.88Å
369	S	62.1	Low	69.3	Low	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.4	166.8	166.1	0	0	0	0	109.4	L333 D335 Q367 A371 A372 G373 V374	L333-S369 WeakPolarHBondContact CD1-OG 3.33Å; L333-S369 WeakPolarHBondContact CD2-OG 3.37Å; L333-S369 WeakPolarHBondContact CG-OG 3.35Å; D335-S369 VanDerWaalsContact OD2-C 3.3Å; D335-S369 WeakPolarHBondContact OD2-CA 3.22Å; D335-S369 WeakPolarHBondContact OD2-CB 3.46Å; D335-S369 PolarHBondContact OD2-OG 3.44Å; Q367-S369 PolarHBondContact O-N 3.3Å; S369-A371 PolarHBondContact O-N 3.12Å; S369-A371 PolarHBondContact OG-N 2.87Å; S369-A372 PolarHBondContact OG-N 3.08Å; S369-G373 WeakPolarHBondContact O-CA 3.46Å; S369-G373 PolarHBondContact O-N 2.75Å; S369-V374 WeakPolarHBondContact CB-O 3.38Å; S369-V374 PolarHBondContact N-O 2.98Å
370	E	56.5	Low	69	Low	191 Å²	191	55.4 Å²	55.4	89%	0.893	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-31	170.7	-67.2	-172.6	172.3	0	0	110.8	D335 V368	D335-E370 PolarHBondContact OD2-N 3.19Å; V368-E370 PolarHBondContact O-N 2.88Å
371	A	45.8	Very low	68.1	Low	79 Å²	79	57.5 Å²	57.5	65%	0.653	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-29.2	-179.1	0	0	0	0	0	113.8	L333 D335 S369	L333-A371 HydrophobicContact CD1-CB 4.25Å; D335-A371 WeakPolarHBondContact OD2-CB 3.44Å; D335-A371 PolarHBondContact OD2-N 3.26Å; S369-A371 PolarHBondContact O-N 3.12Å; S369-A371 PolarHBondContact OG-N 2.87Å
372	A	48.8	Very low	66.6	Low	48 Å²	48	64.3 Å²	64.3	40%	0.397	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-5.3	-176.9	0	0	0	0	0	114.8	L333 S369 V374	L333-A372 HydrophobicContact CD1-CB 3.46Å; L333-A372 VanDerWaalsContact CD1-CB 3.46Å; L333-A372 HydrophobicContact CD2-CB 4Å; L333-A372 HydrophobicContact CG-CB 4.37Å; S369-A372 PolarHBondContact OG-N 3.08Å; A372-V374 HydrophobicContact CB-CG2 3.68Å; A372-V374 PolarHBondContact O-N 3.3Å
373	G	55.7	Low	64.8	Low	64 Å²	64	60 Å²	60	66%	0.66	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	24.5	-179.2	0	0	0	0	0	113.5	S369	S369-G373 WeakPolarHBondContact O-CA 3.46Å; S369-G373 PolarHBondContact O-N 2.75Å
374	V	59.3	Low	62.6	Low	63 Å²	63	59.5 Å²	59.5	38%	0.382	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.6	-178.3	-64.6	0	0	0	0	110.2	S369 A372	S369-V374 WeakPolarHBondContact CB-O 3.38Å; S369-V374 PolarHBondContact N-O 2.98Å; A372-V374 HydrophobicContact CB-CG2 3.68Å; A372-V374 PolarHBondContact O-N 3.3Å
375	G	70.3	Confident	60.4	Low	9 Å²	9	64.6 Å²	64.6	9%	0.093	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.1	170.7	0	0	0	0	0	111	S352 C353 Q367	S352-G375 CarbonylContact C-O 3.54Å; S352-G375 WeakPolarHBondContact CA-O 3.14Å; S352-G375 PolarHBondContact OG-O 2.78Å; S352-G375 VanDerWaalsContact OG-O 3.14Å; C353-G375 PolarHBondContact N-O 3.18Å; C353-G375 WeakPolarHBondContact O-CA 3.38Å; C353-G375 VanDerWaalsContact SG-CA 3.59Å; Q367-G375 CarbonylContact O-C 3.55Å; Q367-G375 WeakPolarHBondContact O-CA 3.41Å
376	I	77.8	Confident	57.9	Low	3 Å²	3	69.5 Å²	69.5	2%	0.015	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.4	172.7	49.9	158.7	0	0	0	112	L333 D335 P350 C353 C366 Q367	L333-I376 HydrophobicContact CD2-CB 4.28Å; L333-I376 HydrophobicContact CD2-CD1 4.06Å; L333-I376 HydrophobicContact CD2-CG1 4.29Å; L333-I376 HydrophobicContact CD2-CG2 3.2Å; D335-I376 HydrophobicContact CB-CD1 3.79Å; P350-I376 HydrophobicContact CB-CG2 4.36Å; C353-I376 VanDerWaalsContact SG-C 3.53Å; C353-I376 PolarHBondContact SG-N 3.03Å; C353-I376 PolarHBondContact SG-O 2.92Å; C353-I376 VanDerWaalsContact SG-O 3.36Å; C366-I376 WeakPolarHBondContact CA-O 3.36Å; Q367-I376 PolarHBondContact N-O 2.89Å; Q367-I376 VanDerWaalsContact O-CG1 3.24Å; Q367-I376 WeakPolarHBondContact O-CG1 3.37Å; Q367-I376 PolarHBondContact O-N 3.07Å
377	C	80.3	Confident	55.3	Low	1 Å²	1	76.5 Å²	76.5	1%	0.007	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.2	177.6	-64.9	0	0	0	0	111.8	Y342 L351 C360 Y364 Y365	Y342-C377 PolarHBondContact N-O 2.79Å; L351-C377 PolarHBondContact O-N 2.81Å; C360-C377 WeakPolarHBondContact CA-SG 3.32Å; C360-C377 HydrophobicContact CB-CB 3.78Å; C360-C377 WeakPolarHBondContact CB-SG 3.19Å; C360-C377 WeakPolarHBondContact SG-CA 3.45Å; C360-C377 WeakPolarHBondContact SG-CB 3.42Å; C360-C377 CovalentContact SG-SG 2.04Å; C360-C377 PolarHBondContact SG-SG 2.85Å; Y364-C377 HydrophobicContact CD1-CB 4.28Å; Y364-C377 WeakPolarHBondContact CD1-O 3.29Å; Y364-C377 HydrophobicContact CG-CB 4.49Å; Y365-C377 WeakPolarHBondContact O-CA 3.31Å
378	C	79.5	Confident	52.9	Low	0 Å²	0	80.1 Å²	80.1	0%	0	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	145.6	-179.2	-68.7	0	0	0	0	112.1	C336 Y364 Y365 A380	C336-C378 WeakPolarHBondContact CA-SG 3.25Å; C336-C378 HydrophobicContact CB-CB 3.7Å; C336-C378 WeakPolarHBondContact CB-SG 3.38Å; C336-C378 WeakPolarHBondContact SG-CA 3.4Å; C336-C378 WeakPolarHBondContact SG-CB 3.3Å; C336-C378 CovalentContact SG-SG 2.04Å; C336-C378 PolarHBondContact SG-SG 2.97Å; Y364-C378 CarbonylContact C-O 3.54Å; Y364-C378 WeakPolarHBondContact CA-O 3.21Å; Y364-C378 WeakPolarHBondContact CB-O 3.39Å; Y365-C378 HydrophobicContact CD1-CB 4.29Å; Y365-C378 WeakPolarHBondContact CD1-O 3.37Å; Y365-C378 HydrophobicContact CE1-CB 3.75Å; Y365-C378 WeakPolarHBondContact CE1-O 3.1Å; Y365-C378 HydrophobicContact CE2-CB 4.22Å; Y365-C378 PolarHBondContact N-O 3.18Å; Y365-C378 PolarHBondContact O-N 2.79Å; C378-A380 PolarHBondContact O-N 2.76Å
379	P	77.1	Confident	50.8	Low	27 Å²	27	85.7 Å²	85.7	18%	0.175	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.7	-175.4	25.4	-30.1	0	0	0	111	I338 E340 N363 Y364 Y365 V381	I338-P379 WeakPolarHBondContact O-CG 3.41Å; E340-P379 VanDerWaalsContact O-CD 3.32Å; E340-P379 WeakPolarHBondContact O-CD 3.36Å; N363-P379 WeakPolarHBondContact O-CA 3.4Å; Y364-P379 HydrophobicContact CD1-CB 4.3Å; Y364-P379 HydrophobicContact CE1-CB 4.02Å; Y364-P379 HydrophobicContact CE1-CG 4.44Å; Y365-P379 WeakPolarHBondContact CE1-O 3.42Å; P379-V381 PolarHBondContact O-N 3.25Å
380	A	62.6	Low	49	Very low	52 Å²	52	92.8 Å²	92.8	43%	0.43	52%	0.522	S	S	.	.			trans	-70.4	112.6	175.6	0	0	0	0	0	109.2	N363 Y365 C378 L382	N363-A380 PolarHBondContact O-N 2.85Å; Y365-A380 HydrophobicContact CD1-CB 4.37Å; C378-A380 PolarHBondContact O-N 2.76Å; A380-L382 PolarHBondContact O-N 3.03Å
381	V	56	Low	47.4	Very low	67 Å²	67	89.1 Å²	89.1	41%	0.406	51%	0.513	S	S	.	.			trans	-74.8	119.1	171.5	-170	0	0	0	0	108	I338 P379 S383	I338-V381 HydrophobicContact CB-CG2 3.43Å; I338-V381 VanDerWaalsContact CB-CG2 3.43Å; I338-V381 HydrophobicContact CD1-CB 4.38Å; I338-V381 HydrophobicContact CD1-CG1 4.35Å; I338-V381 HydrophobicContact CD1-CG2 3.69Å; I338-V381 HydrophobicContact CG1-CG2 4.07Å; I338-V381 HydrophobicContact CG2-CG2 3.44Å; I338-V381 VanDerWaalsContact CG2-CG2 3.44Å; P379-V381 PolarHBondContact O-N 3.25Å; V381-S383 WeakPolarHBondContact CG1-OG 3.49Å; V381-S383 PolarHBondContact O-N 3.19Å
382	L	41.6	Very low	46.4	Very low	180 Å²	180	93.5 Å²	93.5	94%	0.942	53%	0.525	S	S	*	.			trans	-66.5	82.1	155.4	-95.4	93.9	0	0	0	108	A380	A380-L382 PolarHBondContact O-N 3.03Å
383	S	32.2	Very low	45.3	Very low	75 Å²	75	96 Å²	96	52%	0.524	55%	0.547	S	S	.	.			trans	-127.1	110.3	160.4	46.2	0	0	0	0	106.3	V381 H385	V381-S383 WeakPolarHBondContact CG1-OG 3.49Å; V381-S383 PolarHBondContact O-N 3.19Å; S383-H385 PolarHBondContact O-N 2.75Å; S383-H385 VanDerWaalsContact O-N 3.11Å
384	S	26.2	Very low	44.1	Very low	107 Å²	107	101.6 Å²	101.6	75%	0.748	56%	0.555	S	S	*	*			trans	-26	109.8	165.3	51.3	0	0	0	0	113.3
385	H	33	Very low	42.5	Very low	178 Å²	178	105.9 Å²	105.9	82%	0.824	58%	0.575	S	S	*	*	S	Bend		-178.5	103.3	127.6	-94.8	-71.2	0	0	0	110.7	S383	S383-H385 PolarHBondContact O-N 2.75Å; S383-H385 VanDerWaalsContact O-N 3.11Å
386	K	26.7	Very low	40.5	Very low	181 Å²	181	111.6 Å²	111.6	79%	0.787	61%	0.608	S	S	*	*			trans	66.4	94.9	166.7	-72	-176.5	174.4	-178.6	0	117.9	V388	K386-V388 HydrophobicContact CB-CG2 4.31Å; K386-V388 PolarHBondContact O-N 3.12Å
387	E	24.5	Very low	38.1	Very low	165 Å²	165	118.4 Å²	118.4	77%	0.771	64%	0.644	S	S	*	*				-40	108.9	127.1	-69.4	176.4	156.1	0	0	108.5	F389	E387-F389 PolarHBondContact O-N 2.76Å
388	V	26.3	Very low	35.7	Very low	126 Å²	126	125 Å²	125	76%	0.764	68%	0.684	S	S	*	*			trans	-91.1	63.8	153.1	-172.8	0	0	0	0	106.2	K386	K386-V388 HydrophobicContact CB-CG2 4.31Å; K386-V388 PolarHBondContact O-N 3.12Å
389	F	24	Very low	33.3	Very low	183 Å²	183	134 Å²	134	80%	0.803	72%	0.723	S	S	*	*			trans	-109.6	68.6	154.3	-91.7	-79.2	0	0	0	106.7	E387	E387-F389 PolarHBondContact O-N 2.76Å
390	H	24.6	Very low	31.2	Very low	149 Å²	149	139.1 Å²	139.1	69%	0.69	76%	0.755	S	S	*	*			trans	-149.9	94.9	160.6	-86.6	-58.6	0	0	0	106.5
391	T	24.2	Very low	30.1	Very low	114 Å²	114	146.1 Å²	146.1	70%	0.699	78%	0.775	S	S	*	*				52.5	103.3	101.3	60.2	0	0	0	0	111.4	A393	T391-A393 PolarHBondContact O-N 3.27Å
392	N	24.2	Very low	29.6	Very low	171 Å²	171	151.3 Å²	151.3	91%	0.914	80%	0.795	S	S	*	*	S	Bend	trans	21.5	95.4	152.1	-62	-13	0	0	0	116.2
393	A	26.2	Very low	29.5	Very low	102 Å²	102	145.2 Å²	145.2	84%	0.843	77%	0.767	S	S	*	*			trans	-175.6	141.3	146.9	0	0	0	0	0	111.3	T391	T391-A393 PolarHBondContact O-N 3.27Å
394	E	28.6	Very low	30.4	Very low	180 Å²	180	145.4 Å²	145.4	84%	0.841	77%	0.765	S	S	*	*			trans	-62.1	177.7	-175.4	-66.3	159.8	128.4	0	0	115.1
395	I	27.4	Very low	31.5	Very low	154 Å²	154	147.3 Å²	147.3	79%	0.79	77%	0.772	S	S	*	*			trans	125.4	83.3	156.7	-62.6	157.8	0	0	0	110.3
396	T	26.9	Very low	32.2	Very low	128 Å²	128	143 Å²	143	79%	0.785	76%	0.762	S	S	*	*				67.8	125	85.3	63	0	0	0	0	115.3
397	D	28.3	Very low	33.1	Very low	146 Å²	146	140.6 Å²	140.6	78%	0.781	75%	0.753	S	S	*	*			trans	103	72.1	157.4	-145.3	16.3	0	0	0	118.3
398	V	30.3	Very low	34.1	Very low	141 Å²	141	136 Å²	136	86%	0.855	74%	0.736	S	S	*	*			trans	-137.1	117.3	148.9	-177.4	0	0	0	0	108.6	T400	V398-T400 PolarHBondContact O-N 2.84Å
399	K	28.9	Very low	34.7	Very low	187 Å²	187	135.2 Å²	135.2	81%	0.813	73%	0.731	S	S	*	*			trans	-54.3	111.2	-175.1	-72.1	172.3	175.3	173	0	112.8	K401	K399-K401 PolarHBondContact O-N 2.88Å
400	T	32.1	Very low	35.6	Very low	136 Å²	136	131.9 Å²	131.9	83%	0.834	73%	0.728	S	S	*	*			trans	-63.9	106.1	161	39.1	0	0	0	0	109.4	V398	V398-T400 PolarHBondContact O-N 2.84Å
401	K	39.3	Very low	36.4	Very low	199 Å²	199	131.3 Å²	131.3	87%	0.865	73%	0.729	S	S	*	*			trans	-88.4	114.3	165.2	-110.7	-175.7	174.6	-175.1	0	107.9	K399	K399-K401 PolarHBondContact O-N 2.88Å
402	E	45.6	Very low	37	Very low	176 Å²	176	130.9 Å²	130.9	82%	0.822	73%	0.73	S	S	*	*			trans	-70.7	125.2	174.4	-66.9	175.1	158.3	0	0	109.7	T404	E402-T404 PolarHBondContact O-N 2.88Å
403	C	40.4	Very low	37.3	Very low	51 Å²	51	128.3 Å²	128.3	35%	0.345	73%	0.726	S	S	.	*			trans	-71.4	109.7	168.8	-64.6	0	0	0	0	108.4	C433	C403-C433 HydrophobicContact CB-CB 3.81Å; C403-C433 WeakPolarHBondContact CB-SG 3.19Å; C403-C433 WeakPolarHBondContact SG-CB 3.38Å; C403-C433 CovalentContact SG-SG 2.04Å; C403-C433 PolarHBondContact SG-SG 2.95Å
404	T	50.2	Low	37.4	Very low	80 Å²	80	129 Å²	129	49%	0.491	72%	0.719	S	S	.	*			trans	-78.4	148.8	169.4	52.4	0	0	0	0	109.8	E402 S406 H407	E402-T404 PolarHBondContact O-N 2.88Å; T404-S406 PolarHBondContact O-N 3.39Å; T404-S406 PolarHBondContact OG1-OG 3.07Å; T404-S406 VanDerWaalsContact OG1-OG 3.07Å; T404-H407 PolarHBondContact O-N 3.01Å
405	V	49.7	Very low	37.3	Very low	146 Å²	146	132.1 Å²	132.1	89%	0.885	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-52.5	-11.1	-177.4	-176.4	0	0	0	0	113.8
406	S	47.1	Very low	37.5	Very low	89 Å²	89	131 Å²	131	62%	0.622	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-82.9	-0.1	179.5	58.6	0	0	0	0	116.2	T404	T404-S406 PolarHBondContact O-N 3.39Å; T404-S406 PolarHBondContact OG1-OG 3.07Å; T404-S406 VanDerWaalsContact OG1-OG 3.07Å
407	H	46.3	Very low	37.7	Very low	130 Å²	130	132.6 Å²	132.6	60%	0.602	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-126.7	22.3	-174	-73	-61.5	0	0	0	115.9	T404	T404-H407 PolarHBondContact O-N 3.01Å
408	V	45.2	Very low	37.6	Very low	68 Å²	68	130.3 Å²	130.3	41%	0.412	72%	0.724	S	S	.	*	P	Polyproline II helix	trans	-93.5	120.7	177.1	-176.7	0	0	0	0	110.2
409	V	40.3	Very low	37.5	Very low	109 Å²	109	128.7 Å²	128.7	66%	0.661	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-86.6	122.4	174	-176.5	0	0	0	0	108.7	I411	V409-I411 PolarHBondContact O-N 3.21Å
410	P	42.5	Very low	37.6	Very low	114 Å²	114	126.9 Å²	126.9	74%	0.74	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-74.2	126.9	-177	28	-31.6	0	0	0	111.1	S412	P410-S412 PolarHBondContact O-N 3.35Å
411	I	40.5	Very low	37.6	Very low	137 Å²	137	126.1 Å²	126.1	70%	0.703	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-71	122.9	166.9	-46	173.5	0	0	0	106.5	V409 S413	V409-I411 PolarHBondContact O-N 3.21Å; I411-S413 PolarHBondContact O-N 3.01Å
412	S	36.5	Very low	37.5	Very low	105 Å²	105	123.8 Å²	123.8	73%	0.734	71%	0.711	S	S	*	*	S	Bend	trans	-55.5	127.2	178	55.2	0	0	0	0	110.6	P410	P410-S412 PolarHBondContact O-N 3.35Å
413	S	30.1	Very low	37.3	Very low	117 Å²	117	122.9 Å²	122.9	82%	0.818	71%	0.707	S	S	*	*	S	Bend	trans	91.1	50.3	164.5	72.7	0	0	0	0	120.4	I411	I411-S413 PolarHBondContact O-N 3.01Å
414	V	30.3	Very low	37.5	Very low	115 Å²	115	128.2 Å²	128.2	70%	0.697	72%	0.724	S	S	*	*			trans	-145.4	115.6	147.2	-164	0	0	0	0	110.4	I416	V414-I416 HydrophobicContact CB-CG1 4.22Å; V414-I416 HydrophobicContact CG1-CD1 3.98Å; V414-I416 HydrophobicContact CG1-CG1 3.44Å; V414-I416 VanDerWaalsContact CG1-CG1 3.44Å; V414-I416 PolarHBondContact O-N 2.85Å
415	Y	26.1	Very low	37.2	Very low	247 Å²	247	127.1 Å²	127.1	97%	0.969	72%	0.723	S	S	*	*			trans	-76	109.3	160.5	-86.2	-97.7	0	0	0	107
416	I	31.8	Very low	37.1	Very low	130 Å²	130	126.4 Å²	126.4	67%	0.667	71%	0.705	S	S	*	*			trans	-107.3	121.4	167.7	-55.1	-175.5	0	0	0	108	V414 A418	V414-I416 HydrophobicContact CB-CG1 4.22Å; V414-I416 HydrophobicContact CG1-CD1 3.98Å; V414-I416 HydrophobicContact CG1-CG1 3.44Å; V414-I416 VanDerWaalsContact CG1-CG1 3.44Å; V414-I416 PolarHBondContact O-N 2.85Å; I416-A418 PolarHBondContact O-N 2.77Å
417	N	29.4	Very low	37.1	Very low	161 Å²	161	126 Å²	126	86%	0.861	70%	0.699	S	S	*	*			trans	-70.7	115.5	176.1	-134.3	-2.1	0	0	0	107.8	S419	N417-S419 PolarHBondContact O-N 3.15Å
418	A	27.1	Very low	37.1	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	68%	0.68	S	S	*	*			trans	-71.1	114.8	-179	0	0	0	0	0	111.2	I416	I416-A418 PolarHBondContact O-N 2.77Å
419	S	28.5	Very low	37	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	70%	0.704	S	S	*	*			trans	-158.2	121.7	153.1	61	0	0	0	0	109.4	N417	N417-S419 PolarHBondContact O-N 3.15Å
420	N	30.6	Very low	37.3	Very low	149 Å²	149	127.5 Å²	127.5	80%	0.797	71%	0.71	S	S	*	*	S	Bend	trans	88.7	93.3	178.4	-68.5	-15.6	0	0	0	117.8
421	T	32.2	Very low	37.5	Very low	120 Å²	120	124.6 Å²	124.6	74%	0.736	70%	0.701	S	S	*	*	S	Bend		48.2	120.3	120.9	58.5	0	0	0	0	118.7
422	D	37.2	Very low	38	Very low	150 Å²	150	120.5 Å²	120.5	80%	0.802	68%	0.682	S	S	*	*			trans	98.5	42	167.4	-57.6	-23.1	0	0	0	118.1	K424	D422-K424 PolarHBondContact O-N 2.83Å; D422-K424 VanDerWaalsContact O-N 3.13Å
423	E	42	Very low	38.5	Very low	158 Å²	158	116.3 Å²	116.3	74%	0.738	65%	0.653	S	S	*	*			trans	-72.9	103.2	168.6	-80.3	176.4	175.3	0	0	111.4
424	K	43.4	Very low	39.3	Very low	162 Å²	162	114.3 Å²	114.3	70%	0.704	63%	0.628	S	S	*	*			trans	-72.2	123.4	169.7	-64.4	174.5	179.7	176.7	0	108.3	D422 I436	D422-K424 PolarHBondContact O-N 2.83Å; D422-K424 VanDerWaalsContact O-N 3.13Å; K424-I436 HydrophobicContact CB-CD1 3.78Å; K424-I436 WeakPolarHBondContact O-CD1 3.35Å; K424-I436 WeakPolarHBondContact O-CG1 3.48Å
425	A	45.5	Very low	40.3	Very low	58 Å²	58	111.1 Å²	111.1	48%	0.479	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	144.9	165.5	0	0	0	0	0	109.4	Y434	A425-Y434 VanDerWaalsContact CA-O 3.22Å; A425-Y434 WeakPolarHBondContact CA-O 3.01Å; A425-Y434 WeakPolarHBondContact CB-O 3.08Å
426	Y	47	Very low	41.4	Very low	130 Å²	130	106.3 Å²	106.3	51%	0.51	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.3	148.5	169.3	70.3	-90.8	0	0	0	110.8	Y434 I436	Y426-Y434 AromaticContact CD2-CD2 3.85Å; Y426-Y434 HydrophobicContact CD2-CD2 3.85Å; Y426-Y434 HydrophobicContact CD2-CG 4.4Å; Y426-Y434 HydrophobicContact CE1-CG 4.23Å; Y426-Y434 AromaticContact CE2-CD2 3.35Å; Y426-Y434 HydrophobicContact CE2-CD2 3.35Å; Y426-Y434 HydrophobicContact CE2-CE2 4.05Å; Y426-Y434 AromaticContact CE2-CG 3.7Å; Y426-Y434 HydrophobicContact CE2-CG 3.7Å; Y426-Y434 VanDerWaalsContact CZ-CB 3.45Å; Y426-Y434 AromaticContact CZ-CD2 3.79Å; Y426-Y434 AromaticContact CZ-CG 3.6Å; Y426-Y434 PolarHBondContact N-O 3.01Å; Y426-Y434 PolarHBondContact O-N 3.27Å; Y426-I436 HydrophobicContact CD1-CG1 4.34Å
427	V	45.6	Very low	41.9	Very low	81 Å²	81	105.1 Å²	105.1	49%	0.491	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.2	123.4	-178.7	-176.5	0	0	0	0	107.9	T432	V427-T432 WeakPolarHBondContact CA-O 3.16Å
428	D	47.8	Very low	42.6	Very low	36 Å²	36	102.2 Å²	102.2	19%	0.193	58%	0.583	C	S	.	*			trans	-75.1	172.3	175.5	68.3	16.5	0	0	0	112.5	L430 G431 T432 Y434	D428-L430 PolarHBondContact O-N 3.21Å; D428-L430 WeakPolarHBondContact OD1-CA 3.39Å; D428-L430 VanDerWaalsContact OD1-CB 3.3Å; D428-L430 WeakPolarHBondContact OD1-CB 3.23Å; D428-L430 PolarHBondContact OD1-N 3.12Å; D428-G431 PolarHBondContact O-N 2.03Å; D428-G431 PolarHBondContact OD1-N 3.38Å; D428-T432 PolarHBondContact N-O 2.82Å; D428-T432 WeakPolarHBondContact OD1-CB 3.41Å; D428-T432 PolarHBondContact OD1-N 2.8Å; D428-T432 PolarHBondContact OD1-OG1 3.15Å; D428-T432 WeakPolarHBondContact OD2-CB 3.34Å; D428-T432 PolarHBondContact OD2-OG1 3.38Å; D428-Y434 HydrophobicContact CB-CE2 3.79Å; D428-Y434 VanDerWaalsContact OD2-CE2 3.3Å; D428-Y434 WeakPolarHBondContact OD2-CE2 3.38Å; D428-Y434 PolarHBondContact OD2-OH 3.21Å
429	V	42.6	Very low	43.4	Very low	154 Å²	154	102.4 Å²	102.4	93%	0.933	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-8	173.6	-79.1	0	0	0	0	114.2
430	L	45.8	Very low	44.3	Very low	149 Å²	149	102.1 Å²	102.1	78%	0.78	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	0.1	175.9	-58.9	173.9	0	0	0	112.5	D428	D428-L430 PolarHBondContact O-N 3.21Å; D428-L430 WeakPolarHBondContact OD1-CA 3.39Å; D428-L430 VanDerWaalsContact OD1-CB 3.3Å; D428-L430 WeakPolarHBondContact OD1-CB 3.23Å; D428-L430 PolarHBondContact OD1-N 3.12Å
431	G	48.1	Very low	45.2	Very low	53 Å²	53	99.2 Å²	99.2	55%	0.546	55%	0.545	S	S	.	.			trans	80.5	17.2	-179.6	0	0	0	0	0	114.6	D428	D428-G431 PolarHBondContact O-N 2.03Å; D428-G431 PolarHBondContact OD1-N 3.38Å
432	T	51.4	Low	46	Very low	51 Å²	51	97.8 Å²	97.8	31%	0.313	53%	0.532	S	S	.	.			trans	-86.5	127.8	178.5	-39.4	0	0	0	0	110.2	V427 D428 Y434	V427-T432 WeakPolarHBondContact CA-O 3.16Å; D428-T432 PolarHBondContact N-O 2.82Å; D428-T432 WeakPolarHBondContact OD1-CB 3.41Å; D428-T432 PolarHBondContact OD1-N 2.8Å; D428-T432 PolarHBondContact OD1-OG1 3.15Å; D428-T432 WeakPolarHBondContact OD2-CB 3.34Å; D428-T432 PolarHBondContact OD2-OG1 3.38Å; T432-Y434 HydrophobicContact CG2-CE1 4.37Å; T432-Y434 HydrophobicContact CG2-CE2 3.96Å; T432-Y434 WeakPolarHBondContact O-CD2 3.03Å; T432-Y434 WeakPolarHBondContact O-CE2 3.44Å
433	C	45	Very low	46.7	Very low	17 Å²	17	94.1 Å²	94.1	12%	0.115	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125	176.7	-54.6	0	0	0	0	110.3	C403	C403-C433 HydrophobicContact CB-CB 3.81Å; C403-C433 WeakPolarHBondContact CB-SG 3.19Å; C403-C433 WeakPolarHBondContact SG-CB 3.38Å; C403-C433 CovalentContact SG-SG 2.04Å; C403-C433 PolarHBondContact SG-SG 2.95Å
434	Y	47.1	Very low	47	Very low	75 Å²	75	89.2 Å²	89.2	29%	0.294	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	174.8	-59.4	-92.9	0	0	0	109.6	A425 Y426 D428 T432	A425-Y434 VanDerWaalsContact CA-O 3.22Å; A425-Y434 WeakPolarHBondContact CA-O 3.01Å; A425-Y434 WeakPolarHBondContact CB-O 3.08Å; Y426-Y434 AromaticContact CD2-CD2 3.85Å; Y426-Y434 HydrophobicContact CD2-CD2 3.85Å; Y426-Y434 HydrophobicContact CD2-CG 4.4Å; Y426-Y434 HydrophobicContact CE1-CG 4.23Å; Y426-Y434 AromaticContact CE2-CD2 3.35Å; Y426-Y434 HydrophobicContact CE2-CD2 3.35Å; Y426-Y434 HydrophobicContact CE2-CE2 4.05Å; Y426-Y434 AromaticContact CE2-CG 3.7Å; Y426-Y434 HydrophobicContact CE2-CG 3.7Å; Y426-Y434 VanDerWaalsContact CZ-CB 3.45Å; Y426-Y434 AromaticContact CZ-CD2 3.79Å; Y426-Y434 AromaticContact CZ-CG 3.6Å; Y426-Y434 PolarHBondContact N-O 3.01Å; Y426-Y434 PolarHBondContact O-N 3.27Å; D428-Y434 HydrophobicContact CB-CE2 3.79Å; D428-Y434 VanDerWaalsContact OD2-CE2 3.3Å; D428-Y434 WeakPolarHBondContact OD2-CE2 3.38Å; D428-Y434 PolarHBondContact OD2-OH 3.21Å; T432-Y434 HydrophobicContact CG2-CE1 4.37Å; T432-Y434 HydrophobicContact CG2-CE2 3.96Å; T432-Y434 WeakPolarHBondContact O-CD2 3.03Å; T432-Y434 WeakPolarHBondContact O-CE2 3.44Å
435	S	52.2	Low	47.3	Very low	47 Å²	47	83.1 Å²	83.1	33%	0.329	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.7	161.8	-173.9	0	0	0	0	108.3
436	I	49.8	Very low	47.5	Very low	146 Å²	146	85.4 Å²	85.4	75%	0.749	48%	0.477	S	S	*	.			trans	-66	0	161.9	-66.1	173.8	0	0	0	108.9	K424 Y426	K424-I436 HydrophobicContact CB-CD1 3.78Å; K424-I436 WeakPolarHBondContact O-CD1 3.35Å; K424-I436 WeakPolarHBondContact O-CG1 3.48Å; Y426-I436 HydrophobicContact CD1-CG1 4.34Å

Retrieved 436 of 436 residues in 64.2 ms (Link to these results)

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