G4VDK2_SCHMA Loading...

40S ribosomal protein S7

AlphaFold DB , UniProt , Accession G4VDK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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	51.8	Low	68	Low	211 Å²	211	95.1 Å²	95.1	100%	1.039	53%	0.525	S	S	*	.				0	-42.9	0	-68.7	-165.8	-160.2	0	0	113.3	S4 A5	M1-S4 PolarHBondContact O-OG 2.61Å; M1-A5 PolarHBondContact O-N 3.07Å
2	L	52.1	Low	69.3	Low	146 Å²	146	93.3 Å²	93.3	76%	0.764	51%	0.513	S	S	*	.	H	α-helix	trans	-66.4	-38.3	-179.2	-69.5	168.2	0	0	0	113.8	A5 N6	L2-A5 PolarHBondContact O-N 3.31Å; L2-N6 PolarHBondContact O-N 3.33Å
3	Q	57.2	Low	70.5	Confident	167 Å²	167	91.4 Å²	91.4	78%	0.78	51%	0.51	S	S	*	.	H	α-helix	trans	-66.2	-41.3	178.8	-71.9	177.1	-14.6	0	0	112.8	A5 N6 V7	Q3-A5 PolarHBondContact O-N 2.91Å; Q3-N6 PolarHBondContact O-N 3.07Å; Q3-V7 WeakPolarHBondContact O-CG2 3.46Å; Q3-V7 PolarHBondContact O-N 3.26Å; Q3-V7 VanDerWaalsContact O-N 3.13Å
4	S	62.1	Low	71.7	Confident	80 Å²	80	85.2 Å²	85.2	56%	0.559	48%	0.475	S	S	*	.	H	α-helix	trans	-66.3	-36.3	178	51.9	0	0	0	0	112.5	M1 V7 H8	M1-S4 PolarHBondContact O-OG 2.61Å; S4-V7 PolarHBondContact O-N 3.28Å; S4-H8 PolarHBondContact O-N 3.2Å; S4-H8 VanDerWaalsContact O-N 3.13Å
5	A	64.3	Low	72.9	Confident	56 Å²	56	80.7 Å²	80.7	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-38.5	175.4	0	0	0	0	0	112.2	M1 L2 Q3 H8 S9	M1-A5 PolarHBondContact O-N 3.07Å; L2-A5 PolarHBondContact O-N 3.31Å; Q3-A5 PolarHBondContact O-N 2.91Å; A5-H8 PolarHBondContact O-N 2.9Å; A5-S9 PolarHBondContact O-N 3.48Å; A5-S9 VanDerWaalsContact O-N 3.09Å; A5-S9 PolarHBondContact O-OG 3.49Å
6	N	72	Confident	74	Confident	107 Å²	107	81.1 Å²	81.1	57%	0.572	45%	0.449	S	S	*	.	H	α-helix	trans	-68	-35.8	176.7	-71.8	-14.2	0	0	0	112.7	L2 Q3 S9 L10	L2-N6 PolarHBondContact O-N 3.33Å; Q3-N6 PolarHBondContact O-N 3.07Å; N6-S9 PolarHBondContact O-OG 3.21Å; N6-L10 WeakPolarHBondContact O-CB 3.43Å; N6-L10 PolarHBondContact O-N 3.43Å; N6-L10 VanDerWaalsContact O-N 3.09Å
7	V	73.7	Confident	74.7	Confident	58 Å²	58	78.2 Å²	78.2	35%	0.352	43%	0.431	S	S	.	.	H	α-helix	trans	-67.5	-41.2	175.6	175	0	0	0	0	110.7	Q3 S4 L10 A11 I35	Q3-V7 WeakPolarHBondContact O-CG2 3.46Å; Q3-V7 PolarHBondContact O-N 3.26Å; Q3-V7 VanDerWaalsContact O-N 3.13Å; S4-V7 PolarHBondContact O-N 3.28Å; V7-L10 PolarHBondContact O-N 3.06Å; V7-A11 PolarHBondContact O-N 2.73Å; V7-I35 HydrophobicContact CG1-CG2 4.44Å
8	H	75.5	Confident	75.2	Confident	79 Å²	79	78 Å²	78	37%	0.366	43%	0.434	S	S	.	.	H	α-helix	trans	-65.1	-42.5	178.4	-170.8	-80	0	0	0	112.6	S4 A5 L10 A11 L12	S4-H8 PolarHBondContact O-N 3.2Å; S4-H8 VanDerWaalsContact O-N 3.13Å; A5-H8 PolarHBondContact O-N 2.9Å; H8-L10 VanDerWaalsContact C-N 3.34Å; H8-A11 WeakPolarHBondContact O-CB 3.3Å; H8-A11 PolarHBondContact O-N 3.33Å; H8-L12 PolarHBondContact O-N 3.14Å
9	S	79	Confident	75.5	Confident	70 Å²	70	78.7 Å²	78.7	49%	0.49	44%	0.437	S	S	.	.	H	α-helix	trans	-65.6	-38	176.1	64	0	0	0	0	112	A5 N6 A11 L12 S13	A5-S9 PolarHBondContact O-N 3.48Å; A5-S9 VanDerWaalsContact O-N 3.09Å; A5-S9 PolarHBondContact O-OG 3.49Å; N6-S9 PolarHBondContact O-OG 3.21Å; S9-A11 VanDerWaalsContact C-N 3.32Å; S9-A11 PolarHBondContact O-N 2.74Å; S9-L12 PolarHBondContact O-N 2.74Å; S9-S13 PolarHBondContact O-N 3.43Å
10	L	80.5	Confident	75.9	Confident	69 Å²	69	84.6 Å²	84.6	36%	0.361	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-37.1	172.8	-172.3	65.2	0	0	0	111.3	N6 V7 H8 L12 S13 I35	N6-L10 WeakPolarHBondContact O-CB 3.43Å; N6-L10 PolarHBondContact O-N 3.43Å; N6-L10 VanDerWaalsContact O-N 3.09Å; V7-L10 PolarHBondContact O-N 3.06Å; H8-L10 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.01Å; L10-S13 WeakPolarHBondContact O-CB 3.37Å; L10-S13 PolarHBondContact O-N 3.13Å; L10-S13 VanDerWaalsContact O-N 3.12Å; L10-S13 PolarHBondContact O-OG 2.8Å; L10-I35 HydrophobicContact CB-CD1 3.83Å; L10-I35 HydrophobicContact CD2-CD1 4Å; L10-I35 HydrophobicContact CD2-CG1 4.13Å; L10-I35 HydrophobicContact CD2-CG2 3.89Å; L10-I35 HydrophobicContact CG-CD1 3.64Å; L10-I35 HydrophobicContact CG-CG1 4.11Å
11	A	80.4	Confident	76.3	Confident	3 Å²	3	86 Å²	86	3%	0.025	46%	0.46	C	S	.	.	H	α-helix	trans	-61.3	-44.7	177.7	0	0	0	0	0	111.3	V7 H8 S9 S13 K14 A31 Q32 I35	V7-A11 PolarHBondContact O-N 2.73Å; H8-A11 WeakPolarHBondContact O-CB 3.3Å; H8-A11 PolarHBondContact O-N 3.33Å; S9-A11 VanDerWaalsContact C-N 3.32Å; S9-A11 PolarHBondContact O-N 2.74Å; A11-S13 PolarHBondContact O-N 3.12Å; A11-K14 WeakPolarHBondContact O-CB 3.43Å; A11-K14 PolarHBondContact O-N 3.28Å; A11-K14 VanDerWaalsContact O-N 3.08Å; A11-A31 HydrophobicContact CB-CB 3.98Å; A11-A31 WeakPolarHBondContact O-CB 3.27Å; A11-Q32 HydrophobicContact CB-CG 4.13Å; A11-I35 HydrophobicContact CB-CD1 3.74Å
12	L	82.8	Confident	78	Confident	74 Å²	74	81.3 Å²	81.3	39%	0.387	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-29.8	176.3	-64.8	176.3	0	0	0	112.8	H8 S9 L10 K14 I15 V23	H8-L12 PolarHBondContact O-N 3.14Å; S9-L12 PolarHBondContact O-N 2.74Å; L10-L12 PolarHBondContact O-N 3.01Å; L12-K14 PolarHBondContact O-N 3.29Å; L12-I15 PolarHBondContact O-N 2.99Å; L12-V23 HydrophobicContact CD2-CG2 4.22Å
13	S	85	Confident	79.7	Confident	68 Å²	68	76.8 Å²	76.8	48%	0.476	42%	0.423	S	S	.	.	H	α-helix	trans	-65.2	-25	176.8	80.3	0	0	0	0	113.7	S9 L10 A11 I15	S9-S13 PolarHBondContact O-N 3.43Å; L10-S13 WeakPolarHBondContact O-CB 3.37Å; L10-S13 PolarHBondContact O-N 3.13Å; L10-S13 VanDerWaalsContact O-N 3.12Å; L10-S13 PolarHBondContact O-OG 2.8Å; A11-S13 PolarHBondContact O-N 3.12Å; S13-I15 VanDerWaalsContact C-N 3.28Å
14	K	86.9	Confident	81.2	Confident	5 Å²	5	71.5 Å²	71.5	2%	0.022	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.4	178.1	-60.9	-64.8	-177.4	180	0	113.2	A11 L12 A31 I35 M47 K48 L50 Y51 F52	A11-K14 WeakPolarHBondContact O-CB 3.43Å; A11-K14 PolarHBondContact O-N 3.28Å; A11-K14 VanDerWaalsContact O-N 3.08Å; L12-K14 PolarHBondContact O-N 3.29Å; K14-A31 HydrophobicContact CB-CB 4.39Å; K14-I35 HydrophobicContact CG-CG1 4.37Å; K14-M47 PolarHBondContact NZ-O 3.17Å; K14-K48 VanDerWaalsContact NZ-C 3.3Å; K14-K48 VanDerWaalsContact NZ-CA 3.29Å; K14-K48 PolarHBondContact NZ-O 3.36Å; K14-L50 WeakPolarHBondContact CD-O 3.42Å; K14-Y51 CarbonylContact O-C 3.5Å; K14-Y51 WeakPolarHBondContact O-CA 3.19Å; K14-Y51 VanDerWaalsContact O-CB 3.25Å; K14-Y51 WeakPolarHBondContact O-CB 3.18Å; K14-F52 HydrophobicContact CB-CE1 4.42Å; K14-F52 WeakPolarHBondContact O-CD1 3.2Å; K14-F52 PolarHBondContact O-N 2.96Å
15	I	90.2	Very high	82.6	Confident	18 Å²	18	72.2 Å²	72.2	9%	0.092	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-109.9	113.2	-175.1	-52.8	175.3	0	0	0	108.7	L12 S13 K17 V23 E27 A31 F52	L12-I15 PolarHBondContact O-N 2.99Å; S13-I15 VanDerWaalsContact C-N 3.28Å; I15-K17 HydrophobicContact CG2-CG 4.34Å; I15-V23 HydrophobicContact CD1-CG1 3.54Å; I15-V23 HydrophobicContact CG2-CG2 4.43Å; I15-E27 HydrophobicContact CD1-CB 4.12Å; I15-A31 HydrophobicContact CD1-CB 3.74Å; I15-A31 HydrophobicContact CG1-CB 3.82Å; I15-F52 HydrophobicContact CD1-CZ 4.19Å; I15-F52 HydrophobicContact CG1-CE1 3.96Å; I15-F52 HydrophobicContact CG1-CE2 4.25Å; I15-F52 HydrophobicContact CG1-CZ 3.63Å
16	I	89.9	Confident	83.8	Confident	86 Å²	86	70.9 Å²	70.9	44%	0.441	39%	0.39	S	S	.	.			trans	-126.5	94.2	175.8	-54.6	-176.7	0	0	0	109.6	Y51 F52 C53	I16-Y51 HydrophobicContact CB-CD2 3.61Å; I16-Y51 HydrophobicContact CB-CE2 3.87Å; I16-Y51 HydrophobicContact CB-CG 4.42Å; I16-Y51 HydrophobicContact CD1-CD1 4.02Å; I16-Y51 HydrophobicContact CD1-CD2 3.66Å; I16-Y51 HydrophobicContact CD1-CE1 4.28Å; I16-Y51 HydrophobicContact CD1-CE2 3.91Å; I16-Y51 HydrophobicContact CD1-CG 3.71Å; I16-Y51 HydrophobicContact CG1-CD2 3.74Å; I16-Y51 HydrophobicContact CG1-CE2 4.25Å; I16-Y51 HydrophobicContact CG1-CG 4.05Å; I16-Y51 HydrophobicContact CG2-CE2 4.37Å; I16-F52 PolarHBondContact N-O 2.9Å; I16-C53 WeakPolarHBondContact O-CA 3.09Å
17	K	86	Confident	84.7	Confident	33 Å²	33	65.8 Å²	65.8	14%	0.143	36%	0.363	C	S	.	.			trans	-80.1	123.2	177.9	-76.8	179.4	179.8	-156.8	0	111.7	I15 D19 K20 K21 P22 E27 C53	I15-K17 HydrophobicContact CG2-CG 4.34Å; K17-D19 VanDerWaalsContact C-N 3.26Å; K17-D19 PolarHBondContact O-N 3.3Å; K17-K20 PolarHBondContact O-N 3.46Å; K17-K21 HydrophobicContact CD-CB 4.39Å; K17-K21 VanDerWaalsContact CD-O 3.26Å; K17-K21 WeakPolarHBondContact CD-O 3.39Å; K17-P22 PolarHBondContact NZ-O 3.29Å; K17-E27 WeakPolarHBondContact CE-OE1 3.43Å; K17-E27 WeakPolarHBondContact CE-OE2 3.29Å; K17-E27 IonicContact NZ-OE1 2.85Å; K17-E27 PolarHBondContact NZ-OE1 3.23Å; K17-E27 IonicContact NZ-OE2 3.83Å; K17-E27 PolarHBondContact NZ-OE2 3.39Å; K17-C53 WeakPolarHBondContact CG-O 3.48Å
18	P	83.6	Confident	85.5	Confident	74 Å²	74	66 Å²	66	48%	0.481	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.9	173.3	26	-31.7	0	0	0	112.5	F103	P18-F103 HydrophobicContact CB-CE1 4.31Å; P18-F103 HydrophobicContact CG-CD1 4.13Å; P18-F103 HydrophobicContact CG-CE1 3.45Å; P18-F103 VanDerWaalsContact CG-CE1 3.45Å; P18-F103 HydrophobicContact CG-CE2 4.35Å; P18-F103 HydrophobicContact CG-CZ 3.57Å
19	D	82.4	Confident	86.2	Confident	92 Å²	92	67.5 Å²	67.5	49%	0.492	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.4	-176.2	-69.9	-3.9	0	0	0	113.7	K17 K21	K17-D19 VanDerWaalsContact C-N 3.26Å; K17-D19 PolarHBondContact O-N 3.3Å; D19-K21 HydrophobicContact CB-CD 4.18Å; D19-K21 HydrophobicContact CB-CG 4.09Å; D19-K21 PolarHBondContact O-N 3.26Å; D19-K21 IonicContact OD2-NZ 3.3Å; D19-K21 PolarHBondContact OD2-NZ 3.26Å
20	K	82.1	Confident	86.8	Confident	195 Å²	195	64.1 Å²	64.1	85%	0.848	34%	0.344	S	S	*	.			trans	52.3	23.1	-175.9	-58.4	-177.6	177.8	-176.3	0	115.3	K17	K17-K20 PolarHBondContact O-N 3.46Å
21	K	85.1	Confident	87.4	Confident	116 Å²	116	60.9 Å²	60.9	50%	0.504	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-68.4	154.6	173.6	-71.5	174.8	-175.8	159	0	110.7	K17 D19	K17-K21 HydrophobicContact CD-CB 4.39Å; K17-K21 VanDerWaalsContact CD-O 3.26Å; K17-K21 WeakPolarHBondContact CD-O 3.39Å; D19-K21 HydrophobicContact CB-CD 4.18Å; D19-K21 HydrophobicContact CB-CG 4.09Å; D19-K21 PolarHBondContact O-N 3.26Å; D19-K21 IonicContact OD2-NZ 3.3Å; D19-K21 PolarHBondContact OD2-NZ 3.26Å
22	P	86.3	Confident	87.8	Confident	112 Å²	112	64.4 Å²	64.4	73%	0.727	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-58.5	150.1	174	26.1	-34.7	0	0	0	111	K17	K17-P22 PolarHBondContact NZ-O 3.29Å
23	V	87.9	Confident	88	Confident	51 Å²	51	61.1 Å²	61.1	31%	0.309	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-69.1	136.5	176.3	-171.7	0	0	0	0	108.7	L12 I15 E27 E28	L12-V23 HydrophobicContact CD2-CG2 4.22Å; I15-V23 HydrophobicContact CD1-CG1 3.54Å; I15-V23 HydrophobicContact CG2-CG2 4.43Å; V23-E27 HydrophobicContact CG1-CB 3.95Å; V23-E28 HydrophobicContact CB-CG 4.47Å; V23-E28 HydrophobicContact CG1-CG 3.57Å
24	T	90	Very high	88.2	Confident	55 Å²	55	58.3 Å²	58.3	34%	0.337	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-92.1	151.5	177.4	59.6	0	0	0	0	109.9	L26 E27 E28	T24-L26 PolarHBondContact O-N 2.86Å; T24-E27 PolarHBondContact N-OE2 3.36Å; T24-E27 WeakPolarHBondContact O-CB 3.37Å; T24-E27 PolarHBondContact O-N 3.1Å; T24-E27 WeakPolarHBondContact OG1-CG 3.38Å; T24-E27 PolarHBondContact OG1-OE2 3.26Å; T24-E28 PolarHBondContact O-N 3.35Å; T24-E28 VanDerWaalsContact O-N 3.16Å
25	P	90.1	Very high	88.3	Confident	95 Å²	95	58.3 Å²	58.3	62%	0.617	31%	0.306	S	S	*	.	H	α-helix	trans	-56.9	-36.9	-177.7	21.5	-33.6	0	0	0	112.5	E27 E28 E29	P25-E27 VanDerWaalsContact C-N 3.31Å; P25-E27 PolarHBondContact O-N 2.99Å; P25-E28 WeakPolarHBondContact O-CB 3.23Å; P25-E28 PolarHBondContact O-N 3.17Å; P25-E29 WeakPolarHBondContact O-CG 3.48Å; P25-E29 PolarHBondContact O-N 3.15Å
26	L	90.6	Very high	88	Confident	28 Å²	28	60.2 Å²	60.2	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-35.5	176.3	-179.6	146.8	0	0	0	112.9	T24 I30 A55 E57 V66	T24-L26 PolarHBondContact O-N 2.86Å; L26-I30 HydrophobicContact CD2-CD1 3.49Å; L26-I30 VanDerWaalsContact CD2-CD1 3.49Å; L26-I30 HydrophobicContact CG-CD1 4.21Å; L26-I30 WeakPolarHBondContact O-CD1 3.47Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.36Å; L26-I30 PolarHBondContact O-N 3.14Å; L26-I30 VanDerWaalsContact O-N 3.08Å; L26-A55 HydrophobicContact CD2-CB 3.42Å; L26-A55 VanDerWaalsContact CD2-CB 3.42Å; L26-E57 HydrophobicContact CD1-CB 3.74Å; L26-E57 HydrophobicContact CD1-CG 4.48Å; L26-V66 HydrophobicContact CD1-CG2 4.42Å; L26-V66 HydrophobicContact CD2-CG1 4.31Å
27	E	91.4	Very high	87.8	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-73.4	-34.5	176.1	-67.2	161.4	151	0	0	111.5	I15 K17 V23 T24 P25 I30 A31 F52 E54 A55	I15-E27 HydrophobicContact CD1-CB 4.12Å; K17-E27 WeakPolarHBondContact CE-OE1 3.43Å; K17-E27 WeakPolarHBondContact CE-OE2 3.29Å; K17-E27 IonicContact NZ-OE1 2.85Å; K17-E27 PolarHBondContact NZ-OE1 3.23Å; K17-E27 IonicContact NZ-OE2 3.83Å; K17-E27 PolarHBondContact NZ-OE2 3.39Å; V23-E27 HydrophobicContact CG1-CB 3.95Å; T24-E27 PolarHBondContact N-OE2 3.36Å; T24-E27 WeakPolarHBondContact O-CB 3.37Å; T24-E27 PolarHBondContact O-N 3.1Å; T24-E27 WeakPolarHBondContact OG1-CG 3.38Å; T24-E27 PolarHBondContact OG1-OE2 3.26Å; P25-E27 VanDerWaalsContact C-N 3.31Å; P25-E27 PolarHBondContact O-N 2.99Å; E27-I30 PolarHBondContact O-N 2.91Å; E27-A31 VanDerWaalsContact O-CB 3.27Å; E27-A31 WeakPolarHBondContact O-CB 3.21Å; E27-A31 PolarHBondContact O-N 3.36Å; E27-F52 HydrophobicContact CB-CE2 4.07Å; E27-F52 HydrophobicContact CB-CZ 4.32Å; E27-F52 HydrophobicContact CG-CE2 4.13Å; E27-F52 WeakPolarHBondContact O-CZ 3.5Å; E27-E54 WeakPolarHBondContact OE1-CA 3.41Å; E27-A55 HydrophobicContact CG-CB 3.74Å; E27-A55 PolarHBondContact OE1-N 3.21Å; E27-A55 VanDerWaalsContact OE1-N 3.17Å
28	E	90.7	Very high	87.6	Confident	63 Å²	63	56.6 Å²	56.6	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-44.4	173.4	-63.4	-179.8	171.6	0	0	110.9	V23 T24 P25 I30 A31 Q32	V23-E28 HydrophobicContact CB-CG 4.47Å; V23-E28 HydrophobicContact CG1-CG 3.57Å; T24-E28 PolarHBondContact O-N 3.35Å; T24-E28 VanDerWaalsContact O-N 3.16Å; P25-E28 WeakPolarHBondContact O-CB 3.23Å; P25-E28 PolarHBondContact O-N 3.17Å; E28-I30 PolarHBondContact O-N 2.97Å; E28-A31 PolarHBondContact O-N 3.47Å; E28-Q32 WeakPolarHBondContact O-CB 3.31Å; E28-Q32 VanDerWaalsContact O-CG 3.28Å; E28-Q32 WeakPolarHBondContact O-CG 3.37Å; E28-Q32 PolarHBondContact O-N 2.89Å
29	E	90.1	Very high	87.5	Confident	109 Å²	109	59 Å²	59	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-45.7	174.6	-72.6	174.6	-169.3	0	0	111.9	P25 Q32 A33	P25-E29 WeakPolarHBondContact O-CG 3.48Å; P25-E29 PolarHBondContact O-N 3.15Å; E29-Q32 PolarHBondContact O-N 3.35Å; E29-A33 VanDerWaalsContact O-CB 3.29Å; E29-A33 WeakPolarHBondContact O-CB 3.24Å; E29-A33 PolarHBondContact O-N 3.33Å
30	I	91.8	Very high	87	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-39	177.7	-68.7	167.1	0	0	0	111.3	L26 E27 E28 A33 I34 F52 A55 V66 I68	L26-I30 HydrophobicContact CD2-CD1 3.49Å; L26-I30 VanDerWaalsContact CD2-CD1 3.49Å; L26-I30 HydrophobicContact CG-CD1 4.21Å; L26-I30 WeakPolarHBondContact O-CD1 3.47Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.36Å; L26-I30 PolarHBondContact O-N 3.14Å; L26-I30 VanDerWaalsContact O-N 3.08Å; E27-I30 PolarHBondContact O-N 2.91Å; E28-I30 PolarHBondContact O-N 2.97Å; I30-A33 WeakPolarHBondContact O-CB 3.4Å; I30-A33 PolarHBondContact O-N 2.84Å; I30-I34 HydrophobicContact CG2-CD1 4Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 2.69Å; I30-F52 HydrophobicContact CB-CZ 4.23Å; I30-F52 HydrophobicContact CG2-CE1 4.07Å; I30-F52 HydrophobicContact CG2-CE2 4.42Å; I30-F52 HydrophobicContact CG2-CZ 3.93Å; I30-A55 HydrophobicContact CD1-CB 3.5Å; I30-V66 HydrophobicContact CD1-CG1 3.78Å; I30-I68 HydrophobicContact CD1-CD1 4.17Å; I30-I68 HydrophobicContact CD1-CG1 4.11Å; I30-I68 HydrophobicContact CG2-CD1 3.9Å
31	A	91.3	Very high	86.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-41.8	178.4	0	0	0	0	0	112.2	A11 K14 I15 E27 E28 A33 I34 I35 F52	A11-A31 HydrophobicContact CB-CB 3.98Å; A11-A31 WeakPolarHBondContact O-CB 3.27Å; K14-A31 HydrophobicContact CB-CB 4.39Å; I15-A31 HydrophobicContact CD1-CB 3.74Å; I15-A31 HydrophobicContact CG1-CB 3.82Å; E27-A31 VanDerWaalsContact O-CB 3.27Å; E27-A31 WeakPolarHBondContact O-CB 3.21Å; E27-A31 PolarHBondContact O-N 3.36Å; E28-A31 PolarHBondContact O-N 3.47Å; A31-A33 VanDerWaalsContact C-N 3.31Å; A31-I34 PolarHBondContact O-N 3.06Å; A31-I35 WeakPolarHBondContact O-CG1 3.29Å; A31-I35 PolarHBondContact O-N 3.01Å; A31-I35 VanDerWaalsContact O-N 3.13Å; A31-F52 HydrophobicContact CB-CE1 3.98Å; A31-F52 HydrophobicContact CB-CZ 4.08Å
32	Q	88.8	Confident	85.6	Confident	77 Å²	77	54.4 Å²	54.4	36%	0.36	29%	0.291	S	S	.	.	H	α-helix	trans	-59.7	-45.2	170.7	-71	172.9	13.6	0	0	110.4	A11 E28 E29 I34 I35 D36	A11-Q32 HydrophobicContact CB-CG 4.13Å; E28-Q32 WeakPolarHBondContact O-CB 3.31Å; E28-Q32 VanDerWaalsContact O-CG 3.28Å; E28-Q32 WeakPolarHBondContact O-CG 3.37Å; E28-Q32 PolarHBondContact O-N 2.89Å; E29-Q32 PolarHBondContact O-N 3.35Å; Q32-I34 VanDerWaalsContact C-N 3.31Å; Q32-I34 PolarHBondContact O-N 2.97Å; Q32-I35 PolarHBondContact O-N 3.09Å; Q32-D36 PolarHBondContact O-N 3.29Å
33	A	88.5	Confident	84.9	Confident	6 Å²	6	54.5 Å²	54.5	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-40.7	178.5	0	0	0	0	0	113.2	E29 I30 A31 I35 L37 L89 K92	E29-A33 VanDerWaalsContact O-CB 3.29Å; E29-A33 WeakPolarHBondContact O-CB 3.24Å; E29-A33 PolarHBondContact O-N 3.33Å; I30-A33 WeakPolarHBondContact O-CB 3.4Å; I30-A33 PolarHBondContact O-N 2.84Å; A31-A33 VanDerWaalsContact C-N 3.31Å; A33-I35 VanDerWaalsContact C-N 3.35Å; A33-L37 WeakPolarHBondContact O-CG 3.4Å; A33-L37 PolarHBondContact O-N 3.13Å; A33-L89 HydrophobicContact CB-CD2 3.6Å; A33-K92 HydrophobicContact CB-CD 3.48Å; A33-K92 VanDerWaalsContact CB-CD 3.48Å; A33-K92 PolarHBondContact O-NZ 2.91Å
34	I	89.2	Confident	84.1	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-67.5	-34.4	175.9	-68.9	166.5	0	0	0	111.5	I30 A31 Q32 L37 Q38 F52	I30-I34 HydrophobicContact CG2-CD1 4Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 2.69Å; A31-I34 PolarHBondContact O-N 3.06Å; Q32-I34 VanDerWaalsContact C-N 3.31Å; Q32-I34 PolarHBondContact O-N 2.97Å; I34-L37 WeakPolarHBondContact O-CB 3.41Å; I34-L37 PolarHBondContact O-N 3.2Å; I34-Q38 PolarHBondContact O-N 2.89Å; I34-Q38 VanDerWaalsContact O-N 3.1Å; I34-F52 HydrophobicContact CD1-CD1 3.76Å; I34-F52 HydrophobicContact CD1-CE1 3.84Å
35	I	88.1	Confident	83.7	Confident	4 Å²	4	56 Å²	56	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-70	-44	179	-74.1	166.8	0	0	0	111.8	V7 L10 A11 K14 A31 Q32 A33 L37 Q38 I39	V7-I35 HydrophobicContact CG1-CG2 4.44Å; L10-I35 HydrophobicContact CB-CD1 3.83Å; L10-I35 HydrophobicContact CD2-CD1 4Å; L10-I35 HydrophobicContact CD2-CG1 4.13Å; L10-I35 HydrophobicContact CD2-CG2 3.89Å; L10-I35 HydrophobicContact CG-CD1 3.64Å; L10-I35 HydrophobicContact CG-CG1 4.11Å; A11-I35 HydrophobicContact CB-CD1 3.74Å; K14-I35 HydrophobicContact CG-CG1 4.37Å; A31-I35 WeakPolarHBondContact O-CG1 3.29Å; A31-I35 PolarHBondContact O-N 3.01Å; A31-I35 VanDerWaalsContact O-N 3.13Å; Q32-I35 PolarHBondContact O-N 3.09Å; A33-I35 VanDerWaalsContact C-N 3.35Å; I35-L37 PolarHBondContact O-N 3.45Å; I35-Q38 WeakPolarHBondContact O-CA 3.46Å; I35-Q38 VanDerWaalsContact O-CB 3.23Å; I35-Q38 WeakPolarHBondContact O-CB 3.42Å; I35-Q38 PolarHBondContact O-N 2.86Å; I35-I39 PolarHBondContact O-N 3.32Å
36	D	85	Confident	83.4	Confident	59 Å²	59	53.5 Å²	53.5	32%	0.316	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-29.5	178.5	-30.7	-53.3	0	0	0	110.5	Q32 Q38 I39 H40 K92	Q32-D36 PolarHBondContact O-N 3.29Å; D36-Q38 VanDerWaalsContact C-N 3.31Å; D36-Q38 PolarHBondContact O-N 3.3Å; D36-I39 PolarHBondContact O-N 3.47Å; D36-H40 PolarHBondContact O-CD2 3.39Å; D36-K92 VanDerWaalsContact CB-NZ 3.29Å; D36-K92 IonicContact OD2-NZ 3.78Å; D36-K92 PolarHBondContact OD2-NZ 3.29Å
37	L	84.1	Confident	83.1	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-36.1	171.9	-70.2	171.4	0	0	0	112.8	A33 I34 I35 I39 H40 D41 M47 E88	A33-L37 WeakPolarHBondContact O-CG 3.4Å; A33-L37 PolarHBondContact O-N 3.13Å; I34-L37 WeakPolarHBondContact O-CB 3.41Å; I34-L37 PolarHBondContact O-N 3.2Å; I35-L37 PolarHBondContact O-N 3.45Å; L37-I39 PolarHBondContact O-N 3.31Å; L37-H40 PolarHBondContact O-N 3.12Å; L37-D41 WeakPolarHBondContact O-CB 3.43Å; L37-D41 PolarHBondContact O-N 3.23Å; L37-M47 HydrophobicContact CB-CE 4.26Å; L37-M47 HydrophobicContact CB-SD 4.01Å; L37-E88 HydrophobicContact CD1-CB 3.82Å; L37-E88 HydrophobicContact CD2-CB 3.46Å; L37-E88 VanDerWaalsContact CD2-CB 3.46Å; L37-E88 HydrophobicContact CD2-CG 3.48Å; L37-E88 VanDerWaalsContact CD2-CG 3.48Å; L37-E88 HydrophobicContact CG-CB 4.21Å
38	Q	83.4	Confident	82.7	Confident	35 Å²	35	57.4 Å²	57.4	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-25.9	176	-162.9	-173.5	-62.6	0	0	112.6	I34 I35 D36 S44 M47 K48	I34-Q38 PolarHBondContact O-N 2.89Å; I34-Q38 VanDerWaalsContact O-N 3.1Å; I35-Q38 WeakPolarHBondContact O-CA 3.46Å; I35-Q38 VanDerWaalsContact O-CB 3.23Å; I35-Q38 WeakPolarHBondContact O-CB 3.42Å; I35-Q38 PolarHBondContact O-N 2.86Å; D36-Q38 VanDerWaalsContact C-N 3.31Å; D36-Q38 PolarHBondContact O-N 3.3Å; Q38-S44 WeakPolarHBondContact O-CB 3.25Å; Q38-M47 HydrophobicContact CB-CB 4.43Å; Q38-M47 HydrophobicContact CG-CB 4.12Å; Q38-K48 HydrophobicContact CG-CG 4.32Å; Q38-K48 VanDerWaalsContact NE2-CG 3.27Å
39	I	79.8	Confident	82.6	Confident	125 Å²	125	60.9 Å²	60.9	64%	0.641	30%	0.303	S	S	*	.	H	α-helix	trans	-77.9	-33.3	-179.7	-61.2	171.7	0	0	0	111.4	I35 D36 L37	I35-I39 PolarHBondContact O-N 3.32Å; D36-I39 PolarHBondContact O-N 3.47Å; L37-I39 PolarHBondContact O-N 3.31Å
40	H	73.8	Confident	82.6	Confident	144 Å²	144	56.1 Å²	56.1	67%	0.667	28%	0.281	S	S	*	.	H	α-helix	trans	-93.4	-17.3	-171.3	-67.1	-59.9	0	0	0	114.6	D36 L37	D36-H40 PolarHBondContact O-CD2 3.39Å; L37-H40 PolarHBondContact O-N 3.12Å
41	D	69.3	Low	82.7	Confident	15 Å²	15	59.6 Å²	59.6	8%	0.08	29%	0.294	C	S	.	.			trans	-108.9	139.2	-163.6	-69.5	-0.4	0	0	0	113.8	L37 W43 S44 M47 R84	L37-D41 WeakPolarHBondContact O-CB 3.43Å; L37-D41 PolarHBondContact O-N 3.23Å; D41-W43 PolarHBondContact O-N 2.69Å; D41-S44 WeakPolarHBondContact O-CB 3.44Å; D41-S44 PolarHBondContact O-N 2.81Å; D41-M47 HydrophobicContact CB-CE 4.37Å; D41-M47 VanDerWaalsContact OD2-CE 3.29Å; D41-M47 WeakPolarHBondContact OD2-CE 3.2Å; D41-R84 VanDerWaalsContact CG-CZ 3.43Å; D41-R84 VanDerWaalsContact CG-NE 3.34Å; D41-R84 IonicContact OD1-CZ 3.23Å; D41-R84 VanDerWaalsContact OD1-CZ 3.23Å; D41-R84 IonicContact OD1-NE 3.33Å; D41-R84 PolarHBondContact OD1-NE 3.08Å; D41-R84 IonicContact OD1-NH2 2.61Å; D41-R84 PolarHBondContact OD1-NH2 2.75Å; D41-R84 IonicContact OD2-CZ 3.45Å; D41-R84 IonicContact OD2-NE 2.91Å; D41-R84 PolarHBondContact OD2-NE 3.04Å; D41-R84 IonicContact OD2-NH2 3.65Å
42	D	67.3	Low	82.8	Confident	147 Å²	147	59.7 Å²	59.7	79%	0.786	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.2	173.3	-57.3	-45.9	0	0	0	113	S44	D42-S44 PolarHBondContact O-N 3.02Å
43	W	70.8	Confident	83	Confident	115 Å²	115	56.5 Å²	56.5	44%	0.436	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	19	179.7	-55.6	96.2	0	0	0	113.4	D41 D45 T46 M47 F80	D41-W43 PolarHBondContact O-N 2.69Å; W43-D45 PolarHBondContact O-N 2.94Å; W43-T46 HydrophobicContact CE3-CG2 4.32Å; W43-T46 PolarHBondContact O-N 3.27Å; W43-T46 PolarHBondContact O-OG1 3.02Å; W43-M47 PolarHBondContact O-N 3.17Å; W43-M47 VanDerWaalsContact O-N 3.14Å; W43-F80 HydrophobicContact CD2-CE1 4.4Å; W43-F80 HydrophobicContact CE3-CE1 4.11Å; W43-F80 AromaticContact CH2-CE1 3.81Å; W43-F80 HydrophobicContact CH2-CE1 3.81Å; W43-F80 AromaticContact CH2-CZ 3.87Å; W43-F80 HydrophobicContact CH2-CZ 3.87Å; W43-F80 HydrophobicContact CZ2-CE1 4.12Å; W43-F80 HydrophobicContact CZ2-CZ 4.26Å; W43-F80 AromaticContact CZ3-CE1 3.8Å; W43-F80 HydrophobicContact CZ3-CE1 3.8Å; W43-F80 HydrophobicContact CZ3-CZ 4.24Å
44	S	72.1	Confident	83.2	Confident	31 Å²	31	57.7 Å²	57.7	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-48.8	-34.6	-177.7	70.7	0	0	0	0	112.9	Q38 D41 D42 M47 K48	Q38-S44 WeakPolarHBondContact O-CB 3.25Å; D41-S44 WeakPolarHBondContact O-CB 3.44Å; D41-S44 PolarHBondContact O-N 2.81Å; D42-S44 PolarHBondContact O-N 3.02Å; S44-M47 PolarHBondContact O-N 3.05Å; S44-K48 WeakPolarHBondContact O-CB 3.5Å; S44-K48 WeakPolarHBondContact O-CG 3.2Å; S44-K48 PolarHBondContact O-N 3.3Å
45	D	81.5	Confident	83.4	Confident	106 Å²	106	57.6 Å²	57.6	57%	0.567	29%	0.286	S	S	*	.	H	α-helix	trans	-68	-39.2	179	-68.1	-23.9	0	0	0	113.6	W43 K48	W43-D45 PolarHBondContact O-N 2.94Å; D45-K48 IonicContact OD1-NZ 3.79Å; D45-K48 PolarHBondContact OD1-NZ 3.47Å
46	T	83.5	Confident	83.6	Confident	42 Å²	42	61 Å²	61	26%	0.258	30%	0.301	S	S	.	.	H	α-helix	trans	-67.8	-45.3	174.4	64.3	0	0	0	0	110.2	W43 K48 L49 L50 I81	W43-T46 HydrophobicContact CE3-CG2 4.32Å; W43-T46 PolarHBondContact O-N 3.27Å; W43-T46 PolarHBondContact O-OG1 3.02Å; T46-K48 VanDerWaalsContact C-N 3.32Å; T46-K48 PolarHBondContact O-N 3.36Å; T46-L49 PolarHBondContact O-N 3.42Å; T46-L50 WeakPolarHBondContact O-CG 3.49Å; T46-L50 PolarHBondContact O-N 2.94Å; T46-I81 WeakPolarHBondContact OG1-CD1 3.2Å
47	M	84.2	Confident	84	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-33.7	-179.4	-69.7	-167.3	177.6	0	0	112.6	K14 L37 Q38 D41 W43 S44 L49 L50 I81	K14-M47 PolarHBondContact NZ-O 3.17Å; L37-M47 HydrophobicContact CB-CE 4.26Å; L37-M47 HydrophobicContact CB-SD 4.01Å; Q38-M47 HydrophobicContact CB-CB 4.43Å; Q38-M47 HydrophobicContact CG-CB 4.12Å; D41-M47 HydrophobicContact CB-CE 4.37Å; D41-M47 VanDerWaalsContact OD2-CE 3.29Å; D41-M47 WeakPolarHBondContact OD2-CE 3.2Å; W43-M47 PolarHBondContact O-N 3.17Å; W43-M47 VanDerWaalsContact O-N 3.14Å; S44-M47 PolarHBondContact O-N 3.05Å; M47-L49 PolarHBondContact O-N 3.3Å; M47-L50 PolarHBondContact O-N 3.21Å; M47-I81 HydrophobicContact CE-CG2 3.91Å
48	K	84.5	Confident	84.4	Confident	107 Å²	107	64.3 Å²	64.3	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-52.5	-41.9	175.3	-81.8	167.5	-156.5	162.8	0	112.2	K14 Q38 S44 D45 T46	K14-K48 VanDerWaalsContact NZ-C 3.3Å; K14-K48 VanDerWaalsContact NZ-CA 3.29Å; K14-K48 PolarHBondContact NZ-O 3.36Å; Q38-K48 HydrophobicContact CG-CG 4.32Å; Q38-K48 VanDerWaalsContact NE2-CG 3.27Å; S44-K48 WeakPolarHBondContact O-CB 3.5Å; S44-K48 WeakPolarHBondContact O-CG 3.2Å; S44-K48 PolarHBondContact O-N 3.3Å; D45-K48 IonicContact OD1-NZ 3.79Å; D45-K48 PolarHBondContact OD1-NZ 3.47Å; T46-K48 VanDerWaalsContact C-N 3.32Å; T46-K48 PolarHBondContact O-N 3.36Å
49	L	87.3	Confident	84.8	Confident	136 Å²	136	66.7 Å²	66.7	71%	0.712	33%	0.331	S	S	*	.	H	α-helix	trans	-84.5	-17.6	-175.7	-63.6	172.9	0	0	0	114.1	T46 M47 Q74	T46-L49 PolarHBondContact O-N 3.42Å; M47-L49 PolarHBondContact O-N 3.3Å; L49-Q74 PolarHBondContact O-NE2 3.37Å
50	L	91.1	Very high	85.2	Confident	9 Å²	9	61.8 Å²	61.8	5%	0.047	31%	0.306	C	S	.	.			trans	-74.8	138.2	-178.4	-65.9	-177.3	0	0	0	111.1	K14 T46 M47 Q74 T77 Y78 I81	K14-L50 WeakPolarHBondContact CD-O 3.42Å; T46-L50 WeakPolarHBondContact O-CG 3.49Å; T46-L50 PolarHBondContact O-N 2.94Å; M47-L50 PolarHBondContact O-N 3.21Å; L50-Q74 HydrophobicContact CD2-CB 4.21Å; L50-Q74 HydrophobicContact CD2-CG 4.4Å; L50-T77 HydrophobicContact CD1-CG2 4.5Å; L50-T77 HydrophobicContact CD2-CG2 3.86Å; L50-Y78 HydrophobicContact CB-CE2 4.04Å; L50-Y78 HydrophobicContact CD1-CD1 4.35Å; L50-Y78 HydrophobicContact CD1-CD2 4.3Å; L50-Y78 HydrophobicContact CD1-CE1 4.13Å; L50-Y78 HydrophobicContact CD1-CE2 4.09Å; L50-Y78 HydrophobicContact CD1-CG 4.47Å; L50-Y78 HydrophobicContact CD2-CD2 3.87Å; L50-Y78 HydrophobicContact CD2-CE2 3.63Å; L50-Y78 HydrophobicContact CG-CE2 4.1Å; L50-I81 HydrophobicContact CD1-CD1 4.19Å
51	Y	92.5	Very high	85.7	Confident	73 Å²	73	58.8 Å²	58.8	29%	0.286	32%	0.315	S	S	.	.			trans	-140.7	155.5	170.7	65.3	-91.3	0	0	0	108.7	K14 I16 P71 Q74 Y78	K14-Y51 CarbonylContact O-C 3.5Å; K14-Y51 WeakPolarHBondContact O-CA 3.19Å; K14-Y51 VanDerWaalsContact O-CB 3.25Å; K14-Y51 WeakPolarHBondContact O-CB 3.18Å; I16-Y51 HydrophobicContact CB-CD2 3.61Å; I16-Y51 HydrophobicContact CB-CE2 3.87Å; I16-Y51 HydrophobicContact CB-CG 4.42Å; I16-Y51 HydrophobicContact CD1-CD1 4.02Å; I16-Y51 HydrophobicContact CD1-CD2 3.66Å; I16-Y51 HydrophobicContact CD1-CE1 4.28Å; I16-Y51 HydrophobicContact CD1-CE2 3.91Å; I16-Y51 HydrophobicContact CD1-CG 3.71Å; I16-Y51 HydrophobicContact CG1-CD2 3.74Å; I16-Y51 HydrophobicContact CG1-CE2 4.25Å; I16-Y51 HydrophobicContact CG1-CG 4.05Å; I16-Y51 HydrophobicContact CG2-CE2 4.37Å; Y51-P71 HydrophobicContact CD2-CG 3.64Å; Y51-P71 HydrophobicContact CE1-CG 4.38Å; Y51-P71 HydrophobicContact CE2-CB 4.16Å; Y51-P71 HydrophobicContact CE2-CG 3.16Å; Y51-P71 HydrophobicContact CG-CG 4.44Å; Y51-P71 WeakPolarHBondContact O-CD 3.46Å; Y51-Q74 VanDerWaalsContact CD1-NE2 3.32Å; Y51-Q74 PolarHBondContact O-OE1 3.27Å; Y51-Y78 PolarHBondContact O-OH 3.4Å
52	F	93.7	Very high	86.5	Confident	1 Å²	1	68.5 Å²	68.5	0%	0.004	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-117.2	157.4	175.5	67.3	-84.1	0	0	0	110.5	K14 I15 I16 E27 I30 A31 I34 A55 I68	K14-F52 HydrophobicContact CB-CE1 4.42Å; K14-F52 WeakPolarHBondContact O-CD1 3.2Å; K14-F52 PolarHBondContact O-N 2.96Å; I15-F52 HydrophobicContact CD1-CZ 4.19Å; I15-F52 HydrophobicContact CG1-CE1 3.96Å; I15-F52 HydrophobicContact CG1-CE2 4.25Å; I15-F52 HydrophobicContact CG1-CZ 3.63Å; I16-F52 PolarHBondContact N-O 2.9Å; E27-F52 HydrophobicContact CB-CE2 4.07Å; E27-F52 HydrophobicContact CB-CZ 4.32Å; E27-F52 HydrophobicContact CG-CE2 4.13Å; E27-F52 WeakPolarHBondContact O-CZ 3.5Å; I30-F52 HydrophobicContact CB-CZ 4.23Å; I30-F52 HydrophobicContact CG2-CE1 4.07Å; I30-F52 HydrophobicContact CG2-CE2 4.42Å; I30-F52 HydrophobicContact CG2-CZ 3.93Å; A31-F52 HydrophobicContact CB-CE1 3.98Å; A31-F52 HydrophobicContact CB-CZ 4.08Å; I34-F52 HydrophobicContact CD1-CD1 3.76Å; I34-F52 HydrophobicContact CD1-CE1 3.84Å; F52-A55 HydrophobicContact CE2-CB 4.36Å; F52-I68 HydrophobicContact CB-CG2 3.91Å; F52-I68 HydrophobicContact CD2-CG2 4.14Å; F52-I68 HydrophobicContact CG-CG2 4.11Å
53	C	92.5	Very high	87.5	Confident	10 Å²	10	65.1 Å²	65.1	7%	0.068	34%	0.336	C	S	.	.	S	Bend	trans	-89	-49.9	-174.3	-70.3	0	0	0	0	112.4	I16 K17 Y69 F103	I16-C53 WeakPolarHBondContact O-CA 3.09Å; K17-C53 WeakPolarHBondContact CG-O 3.48Å; C53-Y69 PolarHBondContact N-O 2.99Å; C53-F103 HydrophobicContact CB-CB 4.3Å; C53-F103 HydrophobicContact CB-CD2 4.28Å; C53-F103 HydrophobicContact CB-CG 4.24Å
54	E	92.7	Very high	88.5	Confident	31 Å²	31	65 Å²	65	15%	0.145	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	150.1	-171.8	-173.4	176.8	-157.1	0	0	108.4	E27 K56 Y69	E27-E54 WeakPolarHBondContact OE1-CA 3.41Å; E54-K56 VanDerWaalsContact CD-NZ 3.35Å; E54-K56 HydrophobicContact CG-CG 4.41Å; E54-K56 WeakPolarHBondContact OE1-CE 3.39Å; E54-K56 IonicContact OE1-NZ 2.69Å; E54-K56 PolarHBondContact OE1-NZ 3.27Å; E54-K56 WeakPolarHBondContact OE2-CE 3.29Å; E54-K56 IonicContact OE2-NZ 3.02Å; E54-K56 PolarHBondContact OE2-NZ 2.69Å; E54-Y69 HydrophobicContact CB-CD2 4Å; E54-Y69 HydrophobicContact CG-CD2 4.37Å; E54-Y69 WeakPolarHBondContact O-CA 3.37Å; E54-Y69 WeakPolarHBondContact O-CB 3.4Å; E54-Y69 PolarHBondContact O-N 3.09Å
55	A	93.7	Very high	89.6	Confident	7 Å²	7	63.6 Å²	63.6	6%	0.058	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.8	168.3	0	0	0	0	0	110.7	L26 E27 I30 F52 V67 I68	L26-A55 HydrophobicContact CD2-CB 3.42Å; L26-A55 VanDerWaalsContact CD2-CB 3.42Å; E27-A55 HydrophobicContact CG-CB 3.74Å; E27-A55 PolarHBondContact OE1-N 3.21Å; E27-A55 VanDerWaalsContact OE1-N 3.17Å; I30-A55 HydrophobicContact CD1-CB 3.5Å; F52-A55 HydrophobicContact CE2-CB 4.36Å; A55-V67 CarbonylContact C-O 3.55Å; A55-V67 WeakPolarHBondContact CA-O 3.43Å; A55-I68 HydrophobicContact CB-CG1 4.47Å
56	K	92.6	Very high	90.2	Very high	77 Å²	77	58.7 Å²	58.7	34%	0.335	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.8	-178.8	-66.4	-173.3	-174.8	159.3	0	111.1	E54 M58 V67 Y69	E54-K56 VanDerWaalsContact CD-NZ 3.35Å; E54-K56 HydrophobicContact CG-CG 4.41Å; E54-K56 WeakPolarHBondContact OE1-CE 3.39Å; E54-K56 IonicContact OE1-NZ 2.69Å; E54-K56 PolarHBondContact OE1-NZ 3.27Å; E54-K56 WeakPolarHBondContact OE2-CE 3.29Å; E54-K56 IonicContact OE2-NZ 3.02Å; E54-K56 PolarHBondContact OE2-NZ 2.69Å; K56-M58 HydrophobicContact CB-SD 4.37Å; K56-V67 PolarHBondContact N-O 2.92Å; K56-V67 PolarHBondContact O-N 3.33Å; K56-Y69 HydrophobicContact CD-CE2 3.94Å; K56-Y69 HydrophobicContact CG-CE2 4.12Å
57	E	93	Very high	90.7	Very high	88 Å²	88	56.7 Å²	56.7	41%	0.411	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.5	166.7	-165.9	-177.5	169.8	0	0	109.9	L26 K64 A65 V66	L26-E57 HydrophobicContact CD1-CB 3.74Å; L26-E57 HydrophobicContact CD1-CG 4.48Å; E57-K64 WeakPolarHBondContact OE1-CD 3.09Å; E57-K64 VanDerWaalsContact OE1-CE 3.29Å; E57-K64 WeakPolarHBondContact OE1-CE 3.32Å; E57-K64 IonicContact OE1-NZ 3.54Å; E57-K64 PolarHBondContact OE1-NZ 3.46Å; E57-A65 CarbonylContact C-O 3.57Å; E57-V66 HydrophobicContact CG-CG2 4.45Å
58	M	92.8	Very high	91.2	Very high	46 Å²	46	56.6 Å²	56.6	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.9	-178.9	-56.2	-64.6	-63.3	0	0	109.5	K56 A65 V67 L182 K185	K56-M58 HydrophobicContact CB-SD 4.37Å; M58-A65 PolarHBondContact N-O 2.78Å; M58-A65 PolarHBondContact O-N 3.37Å; M58-V67 HydrophobicContact CG-CG2 4.27Å; M58-L182 HydrophobicContact CB-CD2 3.96Å; M58-L182 HydrophobicContact CG-CD2 4.18Å; M58-K185 HydrophobicContact CE-CB 4.06Å; M58-K185 HydrophobicContact CE-CD 3.52Å; M58-K185 HydrophobicContact CE-CG 4.44Å
59	T	92.1	Very high	91.8	Very high	85 Å²	85	52.9 Å²	52.9	52%	0.521	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.3	179.8	49.6	0	0	0	0	112.7	E63 K64 K185	T59-E63 CarbonylContact C-O 3.58Å; T59-K64 HydrophobicContact CG2-CG 4.33Å; T59-K185 WeakPolarHBondContact O-CE 3.46Å; T59-K185 PolarHBondContact O-NZ 3.4Å
60	I	88.5	Confident	92.1	Very high	22 Å²	22	46.6 Å²	46.6	11%	0.113	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	97.3	-174.1	-58.8	167	0	0	0	108.6	K62 E63 A65 T178 L182	I60-K62 PolarHBondContact O-N 3.48Å; I60-K62 VanDerWaalsContact O-N 3.08Å; I60-E63 PolarHBondContact N-O 3.13Å; I60-E63 PolarHBondContact O-N 3.25Å; I60-A65 HydrophobicContact CD1-CB 3.83Å; I60-T178 HydrophobicContact CD1-CG2 3.76Å; I60-T178 VanDerWaalsContact CD1-O 3.25Å; I60-T178 WeakPolarHBondContact CD1-O 3.25Å; I60-L182 HydrophobicContact CD1-CB 4.2Å; I60-L182 HydrophobicContact CD1-CD2 3.58Å; I60-L182 HydrophobicContact CD1-CG 3.41Å; I60-L182 VanDerWaalsContact CD1-CG 3.41Å
61	G	84.5	Confident	92.3	Very high	82 Å²	82	46.6 Å²	46.6	85%	0.845	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	-112.8	-171.5	0	0	0	0	0	110.3
62	K	86.5	Confident	92.3	Very high	218 Å²	218	46.3 Å²	46.3	95%	0.948	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-15.2	178.3	-63.2	-177	179.4	-177.9	0	113.4	I60	I60-K62 PolarHBondContact O-N 3.48Å; I60-K62 VanDerWaalsContact O-N 3.08Å
63	E	87.4	Confident	92.3	Very high	77 Å²	77	51.7 Å²	51.7	36%	0.36	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	151.1	-175	-69.7	166.4	-164.6	0	0	111	T59 I60 H97 T178	T59-E63 CarbonylContact C-O 3.58Å; I60-E63 PolarHBondContact N-O 3.13Å; I60-E63 PolarHBondContact O-N 3.25Å; E63-H97 IonicContact OE2-CD2 3.05Å; E63-T178 PolarHBondContact OE2-OG1 3.43Å
64	K	92.3	Very high	92.4	Very high	113 Å²	113	52.7 Å²	52.7	49%	0.491	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.9	171.3	-71.7	170	160.1	-135.5	0	108.9	E57 T59 P96 H97	E57-K64 WeakPolarHBondContact OE1-CD 3.09Å; E57-K64 VanDerWaalsContact OE1-CE 3.29Å; E57-K64 WeakPolarHBondContact OE1-CE 3.32Å; E57-K64 IonicContact OE1-NZ 3.54Å; E57-K64 PolarHBondContact OE1-NZ 3.46Å; T59-K64 HydrophobicContact CG2-CG 4.33Å; K64-P96 HydrophobicContact CB-CB 3.99Å; K64-P96 WeakPolarHBondContact O-CA 3.36Å; K64-P96 WeakPolarHBondContact O-CB 3.29Å; K64-H97 PolarHBondContact O-N 3.12Å
65	A	93.9	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.3	176.3	0	0	0	0	0	109.9	E57 M58 I60 H97 T178 L182	E57-A65 CarbonylContact C-O 3.57Å; M58-A65 PolarHBondContact N-O 2.78Å; M58-A65 PolarHBondContact O-N 3.37Å; I60-A65 HydrophobicContact CD1-CB 3.83Å; A65-H97 CarbonylContact C-O 3.53Å; A65-H97 VanDerWaalsContact CA-O 3.3Å; A65-H97 WeakPolarHBondContact CA-O 3.42Å; A65-T178 HydrophobicContact CB-CG2 3.54Å; A65-L182 HydrophobicContact CB-CD1 4.27Å; A65-L182 HydrophobicContact CB-CD2 4.09Å; A65-L182 HydrophobicContact CB-CG 4.3Å
66	V	94.6	Very high	92.4	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.3	175.6	175.4	0	0	0	0	108.5	L26 I30 E57 I68 L93 P96 H97 V98 V99	L26-V66 HydrophobicContact CD1-CG2 4.42Å; L26-V66 HydrophobicContact CD2-CG1 4.31Å; I30-V66 HydrophobicContact CD1-CG1 3.78Å; E57-V66 HydrophobicContact CG-CG2 4.45Å; V66-I68 HydrophobicContact CG1-CG1 4.16Å; V66-L93 HydrophobicContact CB-CD1 4.48Å; V66-L93 HydrophobicContact CG1-CD1 4.46Å; V66-L93 HydrophobicContact CG2-CD1 4.31Å; V66-P96 HydrophobicContact CG2-CB 3.97Å; V66-P96 HydrophobicContact CG2-CG 3.98Å; V66-H97 PolarHBondContact N-O 3.24Å; V66-V98 HydrophobicContact CB-CG2 4.47Å; V66-V98 WeakPolarHBondContact O-CA 3.47Å; V66-V99 PolarHBondContact O-N 3.33Å
67	V	94.9	Very high	92.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.9	177.3	179.6	0	0	0	0	108.5	A55 K56 M58 Y69 V99 L101 L182	A55-V67 CarbonylContact C-O 3.55Å; A55-V67 WeakPolarHBondContact CA-O 3.43Å; K56-V67 PolarHBondContact N-O 2.92Å; K56-V67 PolarHBondContact O-N 3.33Å; M58-V67 HydrophobicContact CG-CG2 4.27Å; V67-Y69 HydrophobicContact CG1-CD2 4.39Å; V67-Y69 HydrophobicContact CG1-CE1 4.29Å; V67-Y69 HydrophobicContact CG1-CE2 3.91Å; V67-V99 WeakPolarHBondContact CA-O 3.4Å; V67-L101 HydrophobicContact CG1-CB 4.19Å; V67-L101 HydrophobicContact CG1-CD1 3.56Å; V67-L101 HydrophobicContact CG1-CG 3.97Å; V67-L182 HydrophobicContact CG2-CD1 4.04Å; V67-L182 HydrophobicContact CG2-CD2 3.47Å; V67-L182 VanDerWaalsContact CG2-CD2 3.47Å; V67-L182 HydrophobicContact CG2-CG 4.4Å
68	I	94.8	Very high	92.4	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.015	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.1	176.9	-55.6	174.7	0	0	0	108.5	I30 F52 A55 V66 V70 L89 V98 V99 L100 L101	I30-I68 HydrophobicContact CD1-CD1 4.17Å; I30-I68 HydrophobicContact CD1-CG1 4.11Å; I30-I68 HydrophobicContact CG2-CD1 3.9Å; F52-I68 HydrophobicContact CB-CG2 3.91Å; F52-I68 HydrophobicContact CD2-CG2 4.14Å; F52-I68 HydrophobicContact CG-CG2 4.11Å; A55-I68 HydrophobicContact CB-CG1 4.47Å; V66-I68 HydrophobicContact CG1-CG1 4.16Å; I68-V70 HydrophobicContact CG2-CG2 4.46Å; I68-L89 HydrophobicContact CD1-CD1 3.6Å; I68-V98 HydrophobicContact CD1-CG1 3.66Å; I68-V98 HydrophobicContact CG1-CG1 4.3Å; I68-V99 PolarHBondContact N-O 3.47Å; I68-L100 HydrophobicContact CB-CD2 3.78Å; I68-L100 HydrophobicContact CD1-CD2 4.05Å; I68-L100 HydrophobicContact CG1-CD2 4.37Å; I68-L100 HydrophobicContact CG2-CD2 4.26Å; I68-L101 PolarHBondContact O-N 3.35Å
69	Y	95.8	Very high	92.4	Very high	29 Å²	29	57.7 Å²	57.7	11%	0.114	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.3	176.9	-68.8	-79.3	0	0	0	111.1	C53 E54 K56 V67 L101 F103 L186	C53-Y69 PolarHBondContact N-O 2.99Å; E54-Y69 HydrophobicContact CB-CD2 4Å; E54-Y69 HydrophobicContact CG-CD2 4.37Å; E54-Y69 WeakPolarHBondContact O-CA 3.37Å; E54-Y69 WeakPolarHBondContact O-CB 3.4Å; E54-Y69 PolarHBondContact O-N 3.09Å; K56-Y69 HydrophobicContact CD-CE2 3.94Å; K56-Y69 HydrophobicContact CG-CE2 4.12Å; V67-Y69 HydrophobicContact CG1-CD2 4.39Å; V67-Y69 HydrophobicContact CG1-CE1 4.29Å; V67-Y69 HydrophobicContact CG1-CE2 3.91Å; Y69-L101 CarbonylContact C-O 3.6Å; Y69-L101 VanDerWaalsContact CA-O 3.26Å; Y69-L101 WeakPolarHBondContact CA-O 3.27Å; Y69-L101 HydrophobicContact CD1-CB 4.11Å; Y69-L101 HydrophobicContact CE1-CB 4.19Å; Y69-L101 HydrophobicContact CE1-CD1 4.31Å; Y69-F103 HydrophobicContact CD1-CD2 4.16Å; Y69-F103 HydrophobicContact CG-CD2 4.11Å; Y69-L186 VanDerWaalsContact OH-CD2 3.3Å; Y69-L186 WeakPolarHBondContact OH-CD2 3.38Å
70	V	94.5	Very high	92.3	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.1	-178.4	167.6	0	0	0	0	110.2	I68 V72 Q74 Y78 L101 A102 F103	I68-V70 HydrophobicContact CG2-CG2 4.46Å; V70-V72 PolarHBondContact O-N 3.02Å; V70-Q74 HydrophobicContact CG1-CB 4.27Å; V70-Y78 HydrophobicContact CB-CD2 4.21Å; V70-Y78 HydrophobicContact CB-CE2 4.24Å; V70-Y78 HydrophobicContact CG1-CD2 3.15Å; V70-Y78 HydrophobicContact CG1-CE2 3.37Å; V70-Y78 HydrophobicContact CG1-CG 3.84Å; V70-Y78 HydrophobicContact CG2-CD1 4.05Å; V70-Y78 HydrophobicContact CG2-CD2 3.98Å; V70-Y78 HydrophobicContact CG2-CE1 3.97Å; V70-Y78 HydrophobicContact CG2-CE2 3.88Å; V70-Y78 HydrophobicContact CG2-CG 4.03Å; V70-L101 PolarHBondContact N-O 3.44Å; V70-A102 CarbonylContact O-C 3.6Å; V70-A102 VanDerWaalsContact O-CA 3.32Å; V70-A102 WeakPolarHBondContact O-CA 3.33Å; V70-F103 PolarHBondContact O-N 3.13Å
71	P	94.8	Very high	92.4	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.052	30%	0.304	C	S	.	.			trans	-56.8	133.3	171.7	-21.3	29.7	0	0	0	112.2	Y51 P73 Q74 L75	Y51-P71 HydrophobicContact CD2-CG 3.64Å; Y51-P71 HydrophobicContact CE1-CG 4.38Å; Y51-P71 HydrophobicContact CE2-CB 4.16Å; Y51-P71 HydrophobicContact CE2-CG 3.16Å; Y51-P71 HydrophobicContact CG-CG 4.44Å; Y51-P71 WeakPolarHBondContact O-CD 3.46Å; P71-P73 VanDerWaalsContact C-N 3.3Å; P71-P73 VanDerWaalsContact O-N 3.15Å; P71-Q74 HydrophobicContact CB-CG 4.46Å; P71-Q74 PolarHBondContact O-N 3.36Å; P71-L75 PolarHBondContact O-N 2.9Å
72	V	93.8	Very high	92.7	Very high	67 Å²	67	56.6 Å²	56.6	41%	0.406	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-50.7	-40.6	-179.5	-171.7	0	0	0	0	113.9	V70 Q74 L75 A102 F103 R104	V70-V72 PolarHBondContact O-N 3.02Å; V72-Q74 VanDerWaalsContact C-N 3.29Å; V72-Q74 PolarHBondContact O-N 2.96Å; V72-L75 WeakPolarHBondContact O-CB 3.24Å; V72-L75 PolarHBondContact O-N 2.87Å; V72-A102 HydrophobicContact CG2-CB 4.13Å; V72-F103 VanDerWaalsContact CG2-O 3.31Å; V72-F103 WeakPolarHBondContact CG2-O 3.46Å; V72-R104 HydrophobicContact CG2-CG 4.24Å
73	P	93.8	Very high	92.8	Very high	115 Å²	115	51.1 Å²	51.1	75%	0.747	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-64.4	-31.3	178.3	-22.7	35.2	0	0	0	114	P71	P71-P73 VanDerWaalsContact C-N 3.3Å; P71-P73 VanDerWaalsContact O-N 3.15Å
74	Q	93.8	Very high	92.9	Very high	30 Å²	30	52.7 Å²	52.7	14%	0.14	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-87.6	-8.7	-177.2	-65.5	-172.5	-23.8	0	0	113	L49 L50 Y51 V70 P71 V72 R76 T77 Y78	L49-Q74 PolarHBondContact O-NE2 3.37Å; L50-Q74 HydrophobicContact CD2-CB 4.21Å; L50-Q74 HydrophobicContact CD2-CG 4.4Å; Y51-Q74 VanDerWaalsContact CD1-NE2 3.32Å; Y51-Q74 PolarHBondContact O-OE1 3.27Å; V70-Q74 HydrophobicContact CG1-CB 4.27Å; P71-Q74 HydrophobicContact CB-CG 4.46Å; P71-Q74 PolarHBondContact O-N 3.36Å; V72-Q74 VanDerWaalsContact C-N 3.29Å; V72-Q74 PolarHBondContact O-N 2.96Å; Q74-R76 VanDerWaalsContact C-N 3.25Å; Q74-R76 PolarHBondContact O-N 3.26Å; Q74-R76 VanDerWaalsContact O-N 3.17Å; Q74-T77 WeakPolarHBondContact O-CA 3.28Å; Q74-T77 WeakPolarHBondContact O-CB 3.48Å; Q74-T77 PolarHBondContact O-N 2.89Å; Q74-Y78 HydrophobicContact CB-CD2 3.98Å; Q74-Y78 HydrophobicContact CB-CE2 4.1Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.3Å; Q74-Y78 PolarHBondContact O-N 3.13Å
75	L	93.3	Very high	92.8	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-54.3	-39.7	-175.9	179.5	146.5	0	0	0	112.9	P71 V72 T77 Y78 Q79 A102 D138	P71-L75 PolarHBondContact O-N 2.9Å; V72-L75 WeakPolarHBondContact O-CB 3.24Å; V72-L75 PolarHBondContact O-N 2.87Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.49Å; L75-Y78 PolarHBondContact O-N 2.89Å; L75-Q79 VanDerWaalsContact CD2-CD 3.43Å; L75-Q79 HydrophobicContact CD2-CG 4.1Å; L75-Q79 WeakPolarHBondContact O-CG 3.17Å; L75-Q79 PolarHBondContact O-N 3.09Å; L75-A102 HydrophobicContact CD1-CB 3.33Å; L75-D138 WeakPolarHBondContact CD1-OD1 3.36Å
76	R	92.5	Very high	92.7	Very high	205 Å²	205	47.9 Å²	47.9	77%	0.774	23%	0.232	S	C	*	.	H	α-helix	trans	-63.9	-39.3	177.2	-70.6	-174.7	177.8	175.6	-2.2	112.5	Q74 Q79 F80	Q74-R76 VanDerWaalsContact C-N 3.25Å; Q74-R76 PolarHBondContact O-N 3.26Å; Q74-R76 VanDerWaalsContact O-N 3.17Å; R76-Q79 WeakPolarHBondContact O-CB 3.31Å; R76-Q79 PolarHBondContact O-N 2.9Å; R76-F80 PolarHBondContact O-N 2.92Å; R76-F80 VanDerWaalsContact O-N 3.17Å
77	T	92.8	Very high	92.5	Very high	57 Å²	57	49 Å²	49	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-67.6	-41	176.3	-47.4	0	0	0	0	110.9	L50 Q74 L75 Q79 F80 I81	L50-T77 HydrophobicContact CD1-CG2 4.5Å; L50-T77 HydrophobicContact CD2-CG2 3.86Å; Q74-T77 WeakPolarHBondContact O-CA 3.28Å; Q74-T77 WeakPolarHBondContact O-CB 3.48Å; Q74-T77 PolarHBondContact O-N 2.89Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.49Å; T77-Q79 VanDerWaalsContact C-N 3.33Å; T77-Q79 PolarHBondContact O-N 3.41Å; T77-F80 WeakPolarHBondContact O-CB 3.43Å; T77-F80 PolarHBondContact O-N 2.83Å; T77-I81 PolarHBondContact O-N 3.43Å
78	Y	93	Very high	92.2	Very high	8 Å²	8	51.6 Å²	51.6	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-35.2	174.1	-87.3	-84.4	0	0	0	112.8	L50 Y51 V70 Q74 L75 I81 H82 L85 L100	L50-Y78 HydrophobicContact CB-CE2 4.04Å; L50-Y78 HydrophobicContact CD1-CD1 4.35Å; L50-Y78 HydrophobicContact CD1-CD2 4.3Å; L50-Y78 HydrophobicContact CD1-CE1 4.13Å; L50-Y78 HydrophobicContact CD1-CE2 4.09Å; L50-Y78 HydrophobicContact CD1-CG 4.47Å; L50-Y78 HydrophobicContact CD2-CD2 3.87Å; L50-Y78 HydrophobicContact CD2-CE2 3.63Å; L50-Y78 HydrophobicContact CG-CE2 4.1Å; Y51-Y78 PolarHBondContact O-OH 3.4Å; V70-Y78 HydrophobicContact CB-CD2 4.21Å; V70-Y78 HydrophobicContact CB-CE2 4.24Å; V70-Y78 HydrophobicContact CG1-CD2 3.15Å; V70-Y78 HydrophobicContact CG1-CE2 3.37Å; V70-Y78 HydrophobicContact CG1-CG 3.84Å; V70-Y78 HydrophobicContact CG2-CD1 4.05Å; V70-Y78 HydrophobicContact CG2-CD2 3.98Å; V70-Y78 HydrophobicContact CG2-CE1 3.97Å; V70-Y78 HydrophobicContact CG2-CE2 3.88Å; V70-Y78 HydrophobicContact CG2-CG 4.03Å; Q74-Y78 HydrophobicContact CB-CD2 3.98Å; Q74-Y78 HydrophobicContact CB-CE2 4.1Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.3Å; Q74-Y78 PolarHBondContact O-N 3.13Å; L75-Y78 PolarHBondContact O-N 2.89Å; Y78-I81 PolarHBondContact O-N 3.08Å; Y78-H82 VanDerWaalsContact O-CA 3.29Å; Y78-H82 WeakPolarHBondContact O-CA 3.32Å; Y78-H82 WeakPolarHBondContact O-CB 3.49Å; Y78-H82 PolarHBondContact O-N 3.47Å; Y78-L85 HydrophobicContact CD1-CD1 4.13Å; Y78-L85 HydrophobicContact CE1-CD1 3.98Å; Y78-L100 HydrophobicContact CD1-CD1 3.86Å; Y78-L100 HydrophobicContact CG-CD1 4.44Å
79	Q	92.4	Very high	92.1	Very high	58 Å²	58	51.5 Å²	51.5	27%	0.271	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-43.5	173.9	-79	176.9	-29.8	0	0	111.6	L75 R76 T77 I81 H82 Y141	L75-Q79 VanDerWaalsContact CD2-CD 3.43Å; L75-Q79 HydrophobicContact CD2-CG 4.1Å; L75-Q79 WeakPolarHBondContact O-CG 3.17Å; L75-Q79 PolarHBondContact O-N 3.09Å; R76-Q79 WeakPolarHBondContact O-CB 3.31Å; R76-Q79 PolarHBondContact O-N 2.9Å; T77-Q79 VanDerWaalsContact C-N 3.33Å; T77-Q79 PolarHBondContact O-N 3.41Å; Q79-I81 VanDerWaalsContact C-N 3.28Å; Q79-I81 PolarHBondContact O-N 3.1Å; Q79-H82 WeakPolarHBondContact O-CB 3.49Å; Q79-H82 PolarHBondContact O-N 3.29Å; Q79-Y141 HydrophobicContact CB-CE1 3.93Å; Q79-Y141 HydrophobicContact CB-CE2 4.13Å; Q79-Y141 HydrophobicContact CG-CD1 4.19Å; Q79-Y141 HydrophobicContact CG-CD2 4.16Å; Q79-Y141 HydrophobicContact CG-CE1 3.94Å; Q79-Y141 HydrophobicContact CG-CE2 3.91Å; Q79-Y141 HydrophobicContact CG-CG 4.3Å; Q79-Y141 WeakPolarHBondContact O-CE1 3.37Å; Q79-Y141 PolarHBondContact O-OH 3.17Å; Q79-Y141 VanDerWaalsContact O-OH 3.05Å
80	F	90.4	Very high	91.9	Very high	139 Å²	139	52.3 Å²	52.3	61%	0.61	26%	0.26	S	S	*	.	H	α-helix	trans	-58.3	-38.6	177.1	-176.3	-102.2	0	0	0	113	W43 R76 T77	W43-F80 HydrophobicContact CD2-CE1 4.4Å; W43-F80 HydrophobicContact CE3-CE1 4.11Å; W43-F80 AromaticContact CH2-CE1 3.81Å; W43-F80 HydrophobicContact CH2-CE1 3.81Å; W43-F80 AromaticContact CH2-CZ 3.87Å; W43-F80 HydrophobicContact CH2-CZ 3.87Å; W43-F80 HydrophobicContact CZ2-CE1 4.12Å; W43-F80 HydrophobicContact CZ2-CZ 4.26Å; W43-F80 AromaticContact CZ3-CE1 3.8Å; W43-F80 HydrophobicContact CZ3-CE1 3.8Å; W43-F80 HydrophobicContact CZ3-CZ 4.24Å; R76-F80 PolarHBondContact O-N 2.92Å; R76-F80 VanDerWaalsContact O-N 3.17Å; T77-F80 WeakPolarHBondContact O-CB 3.43Å; T77-F80 PolarHBondContact O-N 2.83Å
81	I	90.3	Very high	91.7	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.046	29%	0.287	C	S	.	.	H	α-helix	trans	-96.2	-0.5	-176.7	-49.6	172.7	0	0	0	111.8	T46 M47 L50 T77 Y78 Q79 N83 R84 L85	T46-I81 WeakPolarHBondContact OG1-CD1 3.2Å; M47-I81 HydrophobicContact CE-CG2 3.91Å; L50-I81 HydrophobicContact CD1-CD1 4.19Å; T77-I81 PolarHBondContact O-N 3.43Å; Y78-I81 PolarHBondContact O-N 3.08Å; Q79-I81 VanDerWaalsContact C-N 3.28Å; Q79-I81 PolarHBondContact O-N 3.1Å; I81-N83 PolarHBondContact O-N 2.99Å; I81-R84 PolarHBondContact O-N 3.47Å; I81-L85 HydrophobicContact CG2-CB 4.26Å; I81-L85 WeakPolarHBondContact O-CB 3.29Å; I81-L85 PolarHBondContact O-N 2.76Å
82	H	91.6	Very high	91.3	Very high	18 Å²	18	61.9 Å²	61.9	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-53.6	-52.1	-165.2	178.8	-96.9	0	0	0	114.3	Y78 Q79 R84 L85 V86 Y141	Y78-H82 VanDerWaalsContact O-CA 3.29Å; Y78-H82 WeakPolarHBondContact O-CA 3.32Å; Y78-H82 WeakPolarHBondContact O-CB 3.49Å; Y78-H82 PolarHBondContact O-N 3.47Å; Q79-H82 WeakPolarHBondContact O-CB 3.49Å; Q79-H82 PolarHBondContact O-N 3.29Å; H82-R84 VanDerWaalsContact C-N 3.28Å; H82-R84 PolarHBondContact O-N 2.91Å; H82-L85 PolarHBondContact O-N 3.37Å; H82-V86 WeakPolarHBondContact O-CB 3.41Å; H82-V86 WeakPolarHBondContact O-CG2 3.5Å; H82-V86 PolarHBondContact O-N 2.96Å; H82-Y141 HydrophobicContact CB-CD1 3.95Å; H82-Y141 HydrophobicContact CB-CE1 3.48Å; H82-Y141 VanDerWaalsContact CB-CE1 3.48Å; H82-Y141 AromaticContact CD2-CD1 3.63Å; H82-Y141 AromaticContact CE1-CD1 3.78Å; H82-Y141 PolarHBondContact CE1-O 2.9Å; H82-Y141 AromaticContact CG-CD1 3.47Å; H82-Y141 VanDerWaalsContact CG-CD1 3.47Å; H82-Y141 AromaticContact CG-CE1 3.53Å; H82-Y141 AromaticContact ND1-CD1 3.57Å; H82-Y141 AromaticContact ND1-CE1 3.79Å; H82-Y141 AromaticContact NE2-CD1 3.83Å
83	N	89.1	Confident	91	Very high	104 Å²	104	60.4 Å²	60.4	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-60.9	-39.7	-172.9	-68.1	-13.9	0	0	0	111.8	I81 G87	I81-N83 PolarHBondContact O-N 2.99Å; N83-G87 PolarHBondContact O-N 3.42Å
84	R	88.5	Confident	90.4	Very high	109 Å²	109	65.7 Å²	65.7	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-73.8	-48.9	177.6	-171.5	175.2	-178.1	148.4	4.4	111	D41 I81 H82 V86 G87 E88	D41-R84 VanDerWaalsContact CG-CZ 3.43Å; D41-R84 VanDerWaalsContact CG-NE 3.34Å; D41-R84 IonicContact OD1-CZ 3.23Å; D41-R84 VanDerWaalsContact OD1-CZ 3.23Å; D41-R84 IonicContact OD1-NE 3.33Å; D41-R84 PolarHBondContact OD1-NE 3.08Å; D41-R84 IonicContact OD1-NH2 2.61Å; D41-R84 PolarHBondContact OD1-NH2 2.75Å; D41-R84 IonicContact OD2-CZ 3.45Å; D41-R84 IonicContact OD2-NE 2.91Å; D41-R84 PolarHBondContact OD2-NE 3.04Å; D41-R84 IonicContact OD2-NH2 3.65Å; I81-R84 PolarHBondContact O-N 3.47Å; H82-R84 VanDerWaalsContact C-N 3.28Å; H82-R84 PolarHBondContact O-N 2.91Å; R84-V86 PolarHBondContact O-N 3.23Å; R84-G87 PolarHBondContact O-N 3.18Å; R84-E88 WeakPolarHBondContact O-CG 3.43Å; R84-E88 PolarHBondContact O-N 2.86Å
85	L	90.6	Very high	89.9	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-46.6	-177.7	-177.7	144	0	0	0	111.9	Y78 I81 H82 E88 L89 L100	Y78-L85 HydrophobicContact CD1-CD1 4.13Å; Y78-L85 HydrophobicContact CE1-CD1 3.98Å; I81-L85 HydrophobicContact CG2-CB 4.26Å; I81-L85 WeakPolarHBondContact O-CB 3.29Å; I81-L85 PolarHBondContact O-N 2.76Å; H82-L85 PolarHBondContact O-N 3.37Å; L85-E88 PolarHBondContact O-N 2.97Å; L85-L89 HydrophobicContact CD2-CD1 3.49Å; L85-L89 VanDerWaalsContact CD2-CD1 3.49Å; L85-L89 HydrophobicContact CD2-CG 4.33Å; L85-L89 HydrophobicContact CG-CD1 4.1Å; L85-L89 WeakPolarHBondContact O-CB 3.3Å; L85-L89 VanDerWaalsContact O-CG 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.22Å; L85-L89 PolarHBondContact O-N 2.87Å; L85-L100 HydrophobicContact CD2-CD1 3.97Å; L85-L100 HydrophobicContact CD2-CD2 4.04Å; L85-L100 HydrophobicContact CD2-CG 4.48Å
86	V	92.3	Very high	89.7	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.036	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-44.3	178.1	172.7	0	0	0	0	110.8	H82 R84 E88 L89 E90 V98 L100	H82-V86 WeakPolarHBondContact O-CB 3.41Å; H82-V86 WeakPolarHBondContact O-CG2 3.5Å; H82-V86 PolarHBondContact O-N 2.96Å; R84-V86 PolarHBondContact O-N 3.23Å; V86-E88 VanDerWaalsContact C-N 3.31Å; V86-E88 PolarHBondContact O-N 3.17Å; V86-L89 PolarHBondContact O-N 3.3Å; V86-E90 HydrophobicContact CG1-CG 4.2Å; V86-E90 WeakPolarHBondContact O-CB 3.18Å; V86-E90 VanDerWaalsContact O-CG 3.31Å; V86-E90 WeakPolarHBondContact O-CG 3.25Å; V86-E90 PolarHBondContact O-N 2.97Å; V86-V98 HydrophobicContact CG1-CB 4.39Å; V86-L100 HydrophobicContact CG2-CG 4.38Å
87	G	89.6	Confident	89.8	Confident	27 Å²	27	59.1 Å²	59.1	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-40.4	178.8	0	0	0	0	0	113	N83 R84 K91	N83-G87 PolarHBondContact O-N 3.42Å; R84-G87 PolarHBondContact O-N 3.18Å; G87-K91 VanDerWaalsContact O-CG 3.3Å; G87-K91 WeakPolarHBondContact O-CG 3.46Å; G87-K91 PolarHBondContact O-N 3.47Å
88	E	89.3	Confident	89.8	Confident	55 Å²	55	56.5 Å²	56.5	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-75.2	-38.7	178.4	-69.1	-60.3	141.1	0	0	113.4	L37 R84 L85 V86 E90 K91 K92	L37-E88 HydrophobicContact CD1-CB 3.82Å; L37-E88 HydrophobicContact CD2-CB 3.46Å; L37-E88 VanDerWaalsContact CD2-CB 3.46Å; L37-E88 HydrophobicContact CD2-CG 3.48Å; L37-E88 VanDerWaalsContact CD2-CG 3.48Å; L37-E88 HydrophobicContact CG-CB 4.21Å; R84-E88 WeakPolarHBondContact O-CG 3.43Å; R84-E88 PolarHBondContact O-N 2.86Å; L85-E88 PolarHBondContact O-N 2.97Å; V86-E88 VanDerWaalsContact C-N 3.31Å; V86-E88 PolarHBondContact O-N 3.17Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-K91 PolarHBondContact O-N 3.01Å; E88-K91 IonicContact OE1-NZ 2.73Å; E88-K91 PolarHBondContact OE1-NZ 3.42Å; E88-K91 IonicContact OE2-NZ 3.96Å; E88-K92 PolarHBondContact O-N 2.87Å; E88-K92 VanDerWaalsContact O-N 3.09Å
89	L	91.9	Very high	89.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-39	174.3	-70.5	-179.8	0	0	0	111.8	A33 I68 L85 V86 K91 K92 L93 V98	A33-L89 HydrophobicContact CB-CD2 3.6Å; I68-L89 HydrophobicContact CD1-CD1 3.6Å; L85-L89 HydrophobicContact CD2-CD1 3.49Å; L85-L89 VanDerWaalsContact CD2-CD1 3.49Å; L85-L89 HydrophobicContact CD2-CG 4.33Å; L85-L89 HydrophobicContact CG-CD1 4.1Å; L85-L89 WeakPolarHBondContact O-CB 3.3Å; L85-L89 VanDerWaalsContact O-CG 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.22Å; L85-L89 PolarHBondContact O-N 2.87Å; V86-L89 PolarHBondContact O-N 3.3Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.38Å; L89-K92 PolarHBondContact O-N 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 WeakPolarHBondContact O-CG 3.36Å; L89-L93 PolarHBondContact O-N 3.08Å; L89-V98 HydrophobicContact CB-CG1 4.32Å; L89-V98 HydrophobicContact CB-CG2 4.13Å; L89-V98 HydrophobicContact CD1-CG1 4.1Å
90	E	90.9	Very high	90	Very high	45 Å²	45	54.7 Å²	54.7	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-37.1	175.8	-74.5	-177.1	159	0	0	111.8	V86 E88 R94 H97 V98 K175	V86-E90 HydrophobicContact CG1-CG 4.2Å; V86-E90 WeakPolarHBondContact O-CB 3.18Å; V86-E90 VanDerWaalsContact O-CG 3.31Å; V86-E90 WeakPolarHBondContact O-CG 3.25Å; V86-E90 PolarHBondContact O-N 2.97Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E90-R94 PolarHBondContact O-N 3.24Å; E90-R94 VanDerWaalsContact O-N 3.17Å; E90-H97 WeakPolarHBondContact OE1-CA 3.41Å; E90-H97 IonicContact OE1-ND1 2.69Å; E90-V98 HydrophobicContact CG-CB 3.96Å; E90-V98 HydrophobicContact CG-CG2 3.75Å; E90-V98 PolarHBondContact OE1-N 2.87Å; E90-K175 IonicContact OE1-NZ 2.74Å; E90-K175 PolarHBondContact OE1-NZ 2.82Å; E90-K175 IonicContact OE2-NZ 2.9Å; E90-K175 PolarHBondContact OE2-NZ 3.31Å
91	K	90.3	Very high	90.2	Very high	135 Å²	135	48.2 Å²	48.2	59%	0.587	24%	0.241	S	C	*	.	H	α-helix	trans	-63.1	-41.7	172.8	-72.7	171.2	-168.7	173.1	0	112.4	G87 E88 L89 R94	G87-K91 VanDerWaalsContact O-CG 3.3Å; G87-K91 WeakPolarHBondContact O-CG 3.46Å; G87-K91 PolarHBondContact O-N 3.47Å; E88-K91 PolarHBondContact O-N 3.01Å; E88-K91 IonicContact OE1-NZ 2.73Å; E88-K91 PolarHBondContact OE1-NZ 3.42Å; E88-K91 IonicContact OE2-NZ 3.96Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.38Å; K91-R94 WeakPolarHBondContact O-CG 3.48Å
92	K	88.2	Confident	90.5	Very high	79 Å²	79	48 Å²	48	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-72.7	-43.6	-178.5	-74.5	-176.1	176.2	-172.7	0	112.9	A33 D36 E88 L89 R94	A33-K92 HydrophobicContact CB-CD 3.48Å; A33-K92 VanDerWaalsContact CB-CD 3.48Å; A33-K92 PolarHBondContact O-NZ 2.91Å; D36-K92 VanDerWaalsContact CB-NZ 3.29Å; D36-K92 IonicContact OD2-NZ 3.78Å; D36-K92 PolarHBondContact OD2-NZ 3.29Å; E88-K92 PolarHBondContact O-N 2.87Å; E88-K92 VanDerWaalsContact O-N 3.09Å; L89-K92 PolarHBondContact O-N 3.26Å; K92-R94 VanDerWaalsContact C-N 3.28Å; K92-R94 PolarHBondContact O-N 2.58Å
93	L	86.2	Confident	90.6	Very high	36 Å²	36	50.2 Å²	50.2	19%	0.188	25%	0.25	C	S	.	.	H	α-helix	trans	-78.5	-10.2	-178.2	-65.9	170.6	0	0	0	113.5	V66 L89 P96 V98	V66-L93 HydrophobicContact CB-CD1 4.48Å; V66-L93 HydrophobicContact CG1-CD1 4.46Å; V66-L93 HydrophobicContact CG2-CD1 4.31Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 WeakPolarHBondContact O-CG 3.36Å; L89-L93 PolarHBondContact O-N 3.08Å; L93-P96 HydrophobicContact CB-CG 3.8Å; L93-P96 VanDerWaalsContact O-CD 3.25Å; L93-P96 WeakPolarHBondContact O-CD 3.28Å; L93-V98 HydrophobicContact CD1-CG2 3.74Å
94	R	81	Confident	90.9	Very high	225 Å²	225	48.8 Å²	48.8	85%	0.849	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.6	71.1	173.9	-65	-173.6	179.5	-170.3	1.1	114.1	E90 K91 K92	E90-R94 PolarHBondContact O-N 3.24Å; E90-R94 VanDerWaalsContact O-N 3.17Å; K91-R94 WeakPolarHBondContact O-CG 3.48Å; K92-R94 VanDerWaalsContact C-N 3.28Å; K92-R94 PolarHBondContact O-N 2.58Å
95	G	83.2	Confident	91.2	Very high	68 Å²	68	52.2 Å²	52.2	70%	0.701	25%	0.25	S	C	*	.	S	Bend	trans	136.9	-48.5	169.2	0	0	0	0	0	115.7
96	P	90.6	Very high	91.3	Very high	18 Å²	18	55.6 Å²	55.6	12%	0.117	27%	0.267	C	S	.	.	S	Bend	trans	-76.6	142.1	-175.8	30.1	-32.6	0	0	0	111.6	K64 V66 L93	K64-P96 HydrophobicContact CB-CB 3.99Å; K64-P96 WeakPolarHBondContact O-CA 3.36Å; K64-P96 WeakPolarHBondContact O-CB 3.29Å; V66-P96 HydrophobicContact CG2-CB 3.97Å; V66-P96 HydrophobicContact CG2-CG 3.98Å; L93-P96 HydrophobicContact CB-CG 3.8Å; L93-P96 VanDerWaalsContact O-CD 3.25Å; L93-P96 WeakPolarHBondContact O-CD 3.28Å
97	H	92.7	Very high	91.3	Very high	38 Å²	38	57.7 Å²	57.7	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.2	170.1	-68.6	-53.5	0	0	0	110.2	E63 K64 A65 V66 E90 T178	E63-H97 IonicContact OE2-CD2 3.05Å; K64-H97 PolarHBondContact O-N 3.12Å; A65-H97 CarbonylContact C-O 3.53Å; A65-H97 VanDerWaalsContact CA-O 3.3Å; A65-H97 WeakPolarHBondContact CA-O 3.42Å; V66-H97 PolarHBondContact N-O 3.24Å; E90-H97 WeakPolarHBondContact OE1-CA 3.41Å; E90-H97 IonicContact OE1-ND1 2.69Å; H97-T178 HydrophobicContact CB-CG2 4.08Å; H97-T178 PolarHBondContact CD2-OG1 3.27Å; H97-T178 VanDerWaalsContact CD2-OG1 3.23Å
98	V	93.9	Very high	91.3	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.7	179.4	-179.5	0	0	0	0	109	V66 I68 V86 L89 E90 L93	V66-V98 HydrophobicContact CB-CG2 4.47Å; V66-V98 WeakPolarHBondContact O-CA 3.47Å; I68-V98 HydrophobicContact CD1-CG1 3.66Å; I68-V98 HydrophobicContact CG1-CG1 4.3Å; V86-V98 HydrophobicContact CG1-CB 4.39Å; L89-V98 HydrophobicContact CB-CG1 4.32Å; L89-V98 HydrophobicContact CB-CG2 4.13Å; L89-V98 HydrophobicContact CD1-CG1 4.1Å; E90-V98 HydrophobicContact CG-CB 3.96Å; E90-V98 HydrophobicContact CG-CG2 3.75Å; E90-V98 PolarHBondContact OE1-N 2.87Å; L93-V98 HydrophobicContact CD1-CG2 3.74Å
99	V	93.8	Very high	91.4	Very high	12 Å²	12	65.4 Å²	65.4	7%	0.073	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.4	177.3	-173.2	0	0	0	0	110	V66 V67 I68 L139 L182	V66-V99 PolarHBondContact O-N 3.33Å; V67-V99 WeakPolarHBondContact CA-O 3.4Å; I68-V99 PolarHBondContact N-O 3.47Å; V99-L139 HydrophobicContact CG1-CD2 3.6Å; V99-L182 HydrophobicContact CB-CD1 4.09Å; V99-L182 HydrophobicContact CG2-CD1 3.76Å
100	L	95	Very high	91.2	Very high	15 Å²	15	68.5 Å²	68.5	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.3	176.1	-54.7	-174.7	0	0	0	110.3	I68 Y78 L85 V86	I68-L100 HydrophobicContact CB-CD2 3.78Å; I68-L100 HydrophobicContact CD1-CD2 4.05Å; I68-L100 HydrophobicContact CG1-CD2 4.37Å; I68-L100 HydrophobicContact CG2-CD2 4.26Å; Y78-L100 HydrophobicContact CD1-CD1 3.86Å; Y78-L100 HydrophobicContact CG-CD1 4.44Å; L85-L100 HydrophobicContact CD2-CD1 3.97Å; L85-L100 HydrophobicContact CD2-CD2 4.04Å; L85-L100 HydrophobicContact CD2-CG 4.48Å; V86-L100 HydrophobicContact CG2-CG 4.38Å
101	L	95.9	Very high	90.9	Very high	4 Å²	4	73.9 Å²	73.9	2%	0.021	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.5	175.1	-75.7	-174	0	0	0	111	V67 I68 Y69 V70 I135 D138 L139 L186	V67-L101 HydrophobicContact CG1-CB 4.19Å; V67-L101 HydrophobicContact CG1-CD1 3.56Å; V67-L101 HydrophobicContact CG1-CG 3.97Å; I68-L101 PolarHBondContact O-N 3.35Å; Y69-L101 CarbonylContact C-O 3.6Å; Y69-L101 VanDerWaalsContact CA-O 3.26Å; Y69-L101 WeakPolarHBondContact CA-O 3.27Å; Y69-L101 HydrophobicContact CD1-CB 4.11Å; Y69-L101 HydrophobicContact CE1-CB 4.19Å; Y69-L101 HydrophobicContact CE1-CD1 4.31Å; V70-L101 PolarHBondContact N-O 3.44Å; L101-I135 HydrophobicContact CD1-CG2 4.4Å; L101-I135 HydrophobicContact CD2-CG2 4.24Å; L101-D138 HydrophobicContact CD2-CB 3.6Å; L101-L139 HydrophobicContact CD1-CD2 3.97Å; L101-L139 HydrophobicContact CD2-CD2 3.6Å; L101-L139 HydrophobicContact CD2-CG 3.79Å; L101-L139 HydrophobicContact CG-CD2 4Å; L101-L186 HydrophobicContact CD1-CD1 3.37Å
102	A	96.3	Very high	90.6	Very high	4 Å²	4	79.2 Å²	79.2	3%	0.033	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139	169	0	0	0	0	0	111.6	V70 V72 L75 R104	V70-A102 CarbonylContact O-C 3.6Å; V70-A102 VanDerWaalsContact O-CA 3.32Å; V70-A102 WeakPolarHBondContact O-CA 3.33Å; V72-A102 HydrophobicContact CG2-CB 4.13Å; L75-A102 HydrophobicContact CD1-CB 3.33Å; A102-R104 VanDerWaalsContact C-N 3.35Å; A102-R104 HydrophobicContact CB-CG 3.89Å; A102-R104 PolarHBondContact O-N 2.81Å
103	F	94.5	Very high	90.2	Very high	64 Å²	64	83.1 Å²	83.1	28%	0.281	40%	0.402	S	S	.	.			trans	-74.3	85.8	169.9	-165.8	-98.1	0	0	0	110.3	P18 C53 Y69 V70 V72	P18-F103 HydrophobicContact CB-CE1 4.31Å; P18-F103 HydrophobicContact CG-CD1 4.13Å; P18-F103 HydrophobicContact CG-CE1 3.45Å; P18-F103 VanDerWaalsContact CG-CE1 3.45Å; P18-F103 HydrophobicContact CG-CE2 4.35Å; P18-F103 HydrophobicContact CG-CZ 3.57Å; C53-F103 HydrophobicContact CB-CB 4.3Å; C53-F103 HydrophobicContact CB-CD2 4.28Å; C53-F103 HydrophobicContact CB-CG 4.24Å; Y69-F103 HydrophobicContact CD1-CD2 4.16Å; Y69-F103 HydrophobicContact CG-CD2 4.11Å; V70-F103 PolarHBondContact O-N 3.13Å; V72-F103 VanDerWaalsContact CG2-O 3.31Å; V72-F103 WeakPolarHBondContact CG2-O 3.46Å
104	R	94.6	Very high	89.5	Confident	74 Å²	74	83.8 Å²	83.8	28%	0.279	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-96.8	130.1	-176.1	-61.2	176.7	-172.1	-87.8	1.2	111.1	V72 A102 V131 D138	V72-R104 HydrophobicContact CG2-CG 4.24Å; A102-R104 VanDerWaalsContact C-N 3.35Å; A102-R104 HydrophobicContact CB-CG 3.89Å; A102-R104 PolarHBondContact O-N 2.81Å; R104-V131 HydrophobicContact CB-CG1 3.77Å; R104-V131 HydrophobicContact CB-CG2 4.25Å; R104-D138 IonicContact CZ-OD2 2.61Å; R104-D138 IonicContact NE-OD2 3.05Å; R104-D138 PolarHBondContact NE-OD2 3.43Å; R104-D138 IonicContact NH2-OD1 2.71Å; R104-D138 PolarHBondContact NH2-OD1 2.81Å; R104-D138 IonicContact NH2-OD2 3.06Å; R104-D138 PolarHBondContact NH2-OD2 3.09Å
105	R	93.5	Very high	89	Confident	182 Å²	182	83 Å²	83	69%	0.687	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-89.2	122.6	175.4	-173.6	175.1	177.4	-177.8	0.9	111.6	R126	R105-R126 WeakPolarHBondContact O-CB 3.33Å
106	I	94.4	Very high	88.4	Confident	78 Å²	78	88.8 Å²	88.8	40%	0.4	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-88.9	118	169.8	-56.8	174.4	0	0	0	108.5	L128 V131	I106-L128 HydrophobicContact CG2-CB 4.14Å; I106-V131 HydrophobicContact CD1-CB 4.4Å; I106-V131 HydrophobicContact CD1-CG1 4.02Å; I106-V131 HydrophobicContact CG1-CB 3.97Å; I106-V131 HydrophobicContact CG1-CG1 3.76Å; I106-V131 HydrophobicContact CG1-CG2 4.03Å
107	I	91.9	Very high	87.4	Confident	49 Å²	49	93.8 Å²	93.8	25%	0.251	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-89	141.9	170.1	-63.7	177	0	0	0	107.6	R122 R126	I107-R122 HydrophobicContact CB-CG 4.17Å; I107-R122 HydrophobicContact CG2-CG 4.07Å; I107-R122 PolarHBondContact O-NE 3.18Å; I107-R122 PolarHBondContact O-NH2 3.21Å; I107-R126 HydrophobicContact CB-CB 4.4Å; I107-R126 HydrophobicContact CD1-CB 3.99Å; I107-R126 VanDerWaalsContact CD1-CD 3.43Å; I107-R126 HydrophobicContact CD1-CG 4.36Å; I107-R126 HydrophobicContact CG1-CB 4.02Å; I107-R126 PolarHBondContact N-O 2.82Å; I107-R126 VanDerWaalsContact N-O 3.15Å
108	A	90.1	Very high	86.6	Confident	81 Å²	81	95.4 Å²	95.4	67%	0.669	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-67	155	176.4	0	0	0	0	0	112.1	R122	A108-R122 WeakPolarHBondContact O-CD 3.47Å
109	K	89.8	Confident	86.2	Confident	163 Å²	163	105.9 Å²	105.9	71%	0.709	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-66	126.2	170.4	-175.8	-178.9	177.8	-178.2	0	108	K111	K109-K111 PolarHBondContact O-N 2.88Å
110	P	87.8	Confident	85.9	Confident	66 Å²	66	113.1 Å²	113.1	43%	0.429	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-60.7	126.1	175.7	25.8	-32.9	0	0	0	108.8	P118	P110-P118 HydrophobicContact CB-CG 4.43Å
111	K	86.2	Confident	85.6	Confident	159 Å²	159	122 Å²	122	69%	0.691	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-100.8	156.3	172.7	-59.5	-177.7	179.8	-178.5	0	108.1	K109 N113 C114	K109-K111 PolarHBondContact O-N 2.88Å; K111-N113 PolarHBondContact O-N 3.36Å; K111-C114 PolarHBondContact N-SG 2.84Å; K111-C114 PolarHBondContact O-N 3.5Å
112	R	82.6	Confident	85.3	Confident	247 Å²	247	124.3 Å²	124.3	93%	0.932	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-37.3	-179.6	-71.1	-175.9	175.1	177.4	-2	112.8
113	N	80.2	Confident	85.3	Confident	161 Å²	161	126.6 Å²	126.6	86%	0.861	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	34.9	-176.2	-60.5	-2.2	0	0	0	113.5	K111 K115	K111-N113 PolarHBondContact O-N 3.36Å; N113-K115 PolarHBondContact O-N 2.92Å
114	C	72.3	Confident	85.3	Confident	50 Å²	50	133 Å²	133	34%	0.338	62%	0.619	S	S	.	*			trans	-74.6	125.4	177.6	-82.7	0	0	0	0	111.5	K111 F116	K111-C114 PolarHBondContact N-SG 2.84Å; K111-C114 PolarHBondContact O-N 3.5Å; C114-F116 PolarHBondContact O-N 3.36Å; C114-F116 VanDerWaalsContact O-N 3.15Å
115	K	70.4	Confident	85.3	Confident	209 Å²	209	133.7 Å²	133.7	91%	0.909	64%	0.635	S	S	*	*	S	Bend	trans	-51.5	-36.1	174.3	-74.3	-175.4	176.6	-177.4	0	113.1	N113	N113-K115 PolarHBondContact O-N 2.92Å
116	F	69.6	Low	85.4	Confident	189 Å²	189	130.5 Å²	130.5	83%	0.829	62%	0.623	S	S	*	*	S	Bend	trans	-110.5	94	172.7	-68.2	-82.6	0	0	0	108.2	C114 P118	C114-F116 PolarHBondContact O-N 3.36Å; C114-F116 VanDerWaalsContact O-N 3.15Å; F116-P118 VanDerWaalsContact O-CD 3.23Å; F116-P118 WeakPolarHBondContact O-CD 3.45Å
117	N	70.6	Confident	85.5	Confident	122 Å²	122	127.4 Å²	127.4	65%	0.652	61%	0.608	S	S	*	*			trans	-77.2	109.2	172.3	-151.5	6.5	0	0	0	107.6	K119	N117-K119 PolarHBondContact O-N 2.95Å
118	P	76.3	Confident	85.6	Confident	73 Å²	73	128.8 Å²	128.8	47%	0.474	62%	0.615	S	S	.	*			trans	-65.7	125.5	-174.8	27.6	-33.6	0	0	0	109.4	P110 F116 Q120	P110-P118 HydrophobicContact CB-CG 4.43Å; F116-P118 VanDerWaalsContact O-CD 3.23Å; F116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-Q120 PolarHBondContact O-N 2.87Å
119	K	84.3	Confident	85.9	Confident	221 Å²	221	128.9 Å²	128.9	96%	0.961	61%	0.607	S	S	*	*	S	Bend	trans	-59.7	-26.2	175.7	-64.8	-174.5	178.7	-176.5	0	112.4	N117	N117-K119 PolarHBondContact O-N 2.95Å
120	Q	88	Confident	86.2	Confident	165 Å²	165	122.5 Å²	122.5	77%	0.771	59%	0.585	S	S	*	*	S	Bend	trans	-108.6	145.4	-177	-64.8	176.2	-6.2	0	0	111.6	P118 R122	P118-Q120 PolarHBondContact O-N 2.87Å; Q120-R122 PolarHBondContact O-N 3.42Å
121	K	89	Confident	86.6	Confident	202 Å²	202	119.6 Å²	119.6	88%	0.878	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-62	132	175.4	-172.7	174.9	-178.1	176.5	0	110.5	P123	K121-P123 WeakPolarHBondContact O-CD 3.49Å
122	R	90	Very high	87.1	Confident	52 Å²	52	112.8 Å²	112.8	20%	0.196	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-60.2	124.8	173.3	176.9	-179.5	173.2	-153.8	17	109.9	I107 A108 Q120 R126 T127	I107-R122 HydrophobicContact CB-CG 4.17Å; I107-R122 HydrophobicContact CG2-CG 4.07Å; I107-R122 PolarHBondContact O-NE 3.18Å; I107-R122 PolarHBondContact O-NH2 3.21Å; A108-R122 WeakPolarHBondContact O-CD 3.47Å; Q120-R122 PolarHBondContact O-N 3.42Å; R122-R126 PolarHBondContact NE-O 3.49Å; R122-R126 PolarHBondContact NH2-O 3.18Å; R122-T127 VanDerWaalsContact NH2-CA 3.28Å
123	P	94.9	Very high	87.7	Confident	52 Å²	52	105.6 Å²	105.6	34%	0.338	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-69.7	144.1	176.5	27.9	-33.9	0	0	0	111.2	K121 S125 R126	K121-P123 WeakPolarHBondContact O-CD 3.49Å; P123-S125 VanDerWaalsContact C-N 3.25Å; P123-S125 PolarHBondContact O-N 3.48Å; P123-R126 HydrophobicContact CG-CB 4.06Å; P123-R126 HydrophobicContact CG-CG 3.86Å; P123-R126 PolarHBondContact O-N 2.87Å; P123-R126 VanDerWaalsContact O-N 3.11Å
124	R	94.8	Very high	88.4	Confident	199 Å²	199	98.7 Å²	98.7	75%	0.751	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-61.5	-33.4	-179	-65.9	-64.7	-67.2	-169.8	-4	112.7	R126 T127 A130	R124-R126 PolarHBondContact O-N 2.7Å; R124-T127 WeakPolarHBondContact O-CB 3.36Å; R124-T127 VanDerWaalsContact O-CG2 3.32Å; R124-T127 WeakPolarHBondContact O-CG2 3.42Å; R124-T127 PolarHBondContact O-N 2.95Å; R124-T127 VanDerWaalsContact O-N 3.15Å; R124-T127 PolarHBondContact O-OG1 3.31Å; R124-A130 WeakPolarHBondContact O-CB 3.25Å
125	S	95.3	Very high	89.6	Confident	87 Å²	87	97.4 Å²	97.4	61%	0.608	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.3	176.5	55.5	0	0	0	0	114	P123	P123-S125 VanDerWaalsContact C-N 3.25Å; P123-S125 PolarHBondContact O-N 3.48Å
126	R	94.9	Very high	90.8	Very high	116 Å²	116	87.6 Å²	87.6	44%	0.438	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-101.7	27.3	177.9	-58.8	-177.1	-174.8	169	-0.7	112.3	R105 I107 R122 P123 R124	R105-R126 WeakPolarHBondContact O-CB 3.33Å; I107-R126 HydrophobicContact CB-CB 4.4Å; I107-R126 HydrophobicContact CD1-CB 3.99Å; I107-R126 VanDerWaalsContact CD1-CD 3.43Å; I107-R126 HydrophobicContact CD1-CG 4.36Å; I107-R126 HydrophobicContact CG1-CB 4.02Å; I107-R126 PolarHBondContact N-O 2.82Å; I107-R126 VanDerWaalsContact N-O 3.15Å; R122-R126 PolarHBondContact NE-O 3.49Å; R122-R126 PolarHBondContact NH2-O 3.18Å; P123-R126 HydrophobicContact CG-CB 4.06Å; P123-R126 HydrophobicContact CG-CG 3.86Å; P123-R126 PolarHBondContact O-N 2.87Å; P123-R126 VanDerWaalsContact O-N 3.11Å; R124-R126 PolarHBondContact O-N 2.7Å
127	T	96.2	Very high	91.9	Very high	12 Å²	12	85.2 Å²	85.2	7%	0.074	42%	0.416	C	S	.	.	S	Bend	trans	-90.9	147.1	173.3	63.5	0	0	0	0	111.9	R122 R124 T129 A130 V131	R122-T127 VanDerWaalsContact NH2-CA 3.28Å; R124-T127 WeakPolarHBondContact O-CB 3.36Å; R124-T127 VanDerWaalsContact O-CG2 3.32Å; R124-T127 WeakPolarHBondContact O-CG2 3.42Å; R124-T127 PolarHBondContact O-N 2.95Å; R124-T127 VanDerWaalsContact O-N 3.15Å; R124-T127 PolarHBondContact O-OG1 3.31Å; T127-T129 VanDerWaalsContact C-N 3.27Å; T127-T129 PolarHBondContact O-N 3.37Å; T127-T129 PolarHBondContact OG1-OG1 2.94Å; T127-A130 PolarHBondContact O-N 2.97Å; T127-A130 VanDerWaalsContact OG1-CB 3.23Å; T127-A130 WeakPolarHBondContact OG1-CB 3.07Å; T127-A130 PolarHBondContact OG1-N 2.85Å; T127-V131 WeakPolarHBondContact O-CB 3.41Å; T127-V131 VanDerWaalsContact O-CG2 3.26Å; T127-V131 WeakPolarHBondContact O-CG2 3.5Å; T127-V131 PolarHBondContact O-N 3.34Å
128	L	95.3	Very high	93.1	Very high	79 Å²	79	80.1 Å²	80.1	41%	0.414	39%	0.388	S	S	.	.	H	α-helix	trans	-54.9	-46.1	179.9	-176.1	159.7	0	0	0	111	I106 V131 H132	I106-L128 HydrophobicContact CG2-CB 4.14Å; L128-V131 PolarHBondContact O-N 3.12Å; L128-H132 VanDerWaalsContact CD2-CE1 3.46Å; L128-H132 WeakPolarHBondContact CD2-CE1 3.14Å; L128-H132 WeakPolarHBondContact CD2-NE2 3.44Å; L128-H132 WeakPolarHBondContact O-CB 3.32Å; L128-H132 PolarHBondContact O-CD2 3.16Å; L128-H132 VanDerWaalsContact O-CG 3.29Å; L128-H132 PolarHBondContact O-N 2.77Å
129	T	94.8	Very high	93.9	Very high	82 Å²	82	76.8 Å²	76.8	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-50.6	178.8	50.2	0	0	0	0	112	T127 V131 H132 E133	T127-T129 VanDerWaalsContact C-N 3.27Å; T127-T129 PolarHBondContact O-N 3.37Å; T127-T129 PolarHBondContact OG1-OG1 2.94Å; T129-V131 VanDerWaalsContact C-N 3.35Å; T129-V131 PolarHBondContact O-N 3.47Å; T129-H132 PolarHBondContact O-N 3.18Å; T129-E133 WeakPolarHBondContact O-CG 3.34Å; T129-E133 PolarHBondContact O-N 2.56Å; T129-E133 VanDerWaalsContact O-N 3.09Å
130	A	96.5	Very high	94.4	Very high	30 Å²	30	66.3 Å²	66.3	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-65.4	-37.6	-179.9	0	0	0	0	0	112.5	R124 T127 A134	R124-A130 WeakPolarHBondContact O-CB 3.25Å; T127-A130 PolarHBondContact O-N 2.97Å; T127-A130 VanDerWaalsContact OG1-CB 3.23Å; T127-A130 WeakPolarHBondContact OG1-CB 3.07Å; T127-A130 PolarHBondContact OG1-N 2.85Å; A130-A134 WeakPolarHBondContact O-CB 3.26Å; A130-A134 PolarHBondContact O-N 3.03Å
131	V	96.9	Very high	94.6	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-67.6	-42.5	177.6	171.7	0	0	0	0	110.8	R104 I106 T127 L128 T129 E133 A134 I135	R104-V131 HydrophobicContact CB-CG1 3.77Å; R104-V131 HydrophobicContact CB-CG2 4.25Å; I106-V131 HydrophobicContact CD1-CB 4.4Å; I106-V131 HydrophobicContact CD1-CG1 4.02Å; I106-V131 HydrophobicContact CG1-CB 3.97Å; I106-V131 HydrophobicContact CG1-CG1 3.76Å; I106-V131 HydrophobicContact CG1-CG2 4.03Å; T127-V131 WeakPolarHBondContact O-CB 3.41Å; T127-V131 VanDerWaalsContact O-CG2 3.26Å; T127-V131 WeakPolarHBondContact O-CG2 3.5Å; T127-V131 PolarHBondContact O-N 3.34Å; L128-V131 PolarHBondContact O-N 3.12Å; T129-V131 VanDerWaalsContact C-N 3.35Å; T129-V131 PolarHBondContact O-N 3.47Å; V131-E133 VanDerWaalsContact C-N 3.33Å; V131-E133 PolarHBondContact O-N 3.38Å; V131-A134 PolarHBondContact O-N 2.94Å; V131-I135 HydrophobicContact CG1-CD1 3.77Å; V131-I135 HydrophobicContact CG1-CG1 4.25Å; V131-I135 VanDerWaalsContact O-CG1 3.27Å; V131-I135 WeakPolarHBondContact O-CG1 3.48Å; V131-I135 PolarHBondContact O-N 3.17Å
132	H	96.1	Very high	94.7	Very high	16 Å²	16	53.2 Å²	53.2	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-40.3	177.8	-73.8	-149.4	0	0	0	111.6	L128 T129 A134 I135 L136 T187	L128-H132 VanDerWaalsContact CD2-CE1 3.46Å; L128-H132 WeakPolarHBondContact CD2-CE1 3.14Å; L128-H132 WeakPolarHBondContact CD2-NE2 3.44Å; L128-H132 WeakPolarHBondContact O-CB 3.32Å; L128-H132 PolarHBondContact O-CD2 3.16Å; L128-H132 VanDerWaalsContact O-CG 3.29Å; L128-H132 PolarHBondContact O-N 2.77Å; T129-H132 PolarHBondContact O-N 3.18Å; H132-A134 VanDerWaalsContact C-N 3.32Å; H132-A134 PolarHBondContact O-N 3.24Å; H132-I135 PolarHBondContact O-N 3.4Å; H132-L136 PolarHBondContact O-N 2.81Å; H132-L136 VanDerWaalsContact O-N 3.09Å; H132-T187 HydrophobicContact CB-CG2 4.42Å
133	E	95	Very high	94.8	Very high	97 Å²	97	51 Å²	51	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-39.8	174.5	-70.9	-177	157.1	0	0	112.4	T129 V131 L136 K137 K148	T129-E133 WeakPolarHBondContact O-CG 3.34Å; T129-E133 PolarHBondContact O-N 2.56Å; T129-E133 VanDerWaalsContact O-N 3.09Å; V131-E133 VanDerWaalsContact C-N 3.33Å; V131-E133 PolarHBondContact O-N 3.38Å; E133-L136 PolarHBondContact O-N 3.3Å; E133-K137 WeakPolarHBondContact O-CG 3.49Å; E133-K137 PolarHBondContact O-N 3.39Å; E133-K137 VanDerWaalsContact O-N 3.17Å; E133-K148 IonicContact OE1-NZ 3.19Å; E133-K148 PolarHBondContact OE1-NZ 2.96Å
134	A	95.9	Very high	94.7	Very high	16 Å²	16	55.3 Å²	55.3	13%	0.132	27%	0.27	C	S	.	.	H	α-helix	trans	-70.6	-39	178.4	0	0	0	0	0	112.3	A130 V131 H132 L136 K137 D138	A130-A134 WeakPolarHBondContact O-CB 3.26Å; A130-A134 PolarHBondContact O-N 3.03Å; V131-A134 PolarHBondContact O-N 2.94Å; H132-A134 VanDerWaalsContact C-N 3.32Å; H132-A134 PolarHBondContact O-N 3.24Å; A134-L136 VanDerWaalsContact C-N 3.28Å; A134-L136 PolarHBondContact O-N 3.23Å; A134-K137 PolarHBondContact O-N 3.4Å; A134-D138 PolarHBondContact O-N 2.77Å
135	I	96.2	Very high	94.6	Very high	23 Å²	23	48.1 Å²	48.1	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-44.1	172.4	-70.4	165.5	0	0	0	110.2	L101 V131 H132 K137 D138 L139 Y183 L186 T187	L101-I135 HydrophobicContact CD1-CG2 4.4Å; L101-I135 HydrophobicContact CD2-CG2 4.24Å; V131-I135 HydrophobicContact CG1-CD1 3.77Å; V131-I135 HydrophobicContact CG1-CG1 4.25Å; V131-I135 VanDerWaalsContact O-CG1 3.27Å; V131-I135 WeakPolarHBondContact O-CG1 3.48Å; V131-I135 PolarHBondContact O-N 3.17Å; H132-I135 PolarHBondContact O-N 3.4Å; I135-K137 VanDerWaalsContact C-N 3.33Å; I135-K137 PolarHBondContact O-N 3.05Å; I135-D138 PolarHBondContact O-N 2.76Å; I135-L139 HydrophobicContact CG2-CD1 4.17Å; I135-L139 HydrophobicContact CG2-CG 4.26Å; I135-L139 WeakPolarHBondContact O-CG 3.37Å; I135-L139 PolarHBondContact O-N 2.76Å; I135-Y183 HydrophobicContact CG2-CD2 4.19Å; I135-Y183 HydrophobicContact CG2-CE2 4.4Å; I135-L186 HydrophobicContact CG2-CD1 4.35Å; I135-T187 HydrophobicContact CD1-CG2 4.49Å
136	L	95.1	Very high	94.5	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-39.4	179.6	-171.8	58.8	0	0	0	112.4	H132 E133 A134 V140 I145 C162 Y183 V191	H132-L136 PolarHBondContact O-N 2.81Å; H132-L136 VanDerWaalsContact O-N 3.09Å; E133-L136 PolarHBondContact O-N 3.3Å; A134-L136 VanDerWaalsContact C-N 3.28Å; A134-L136 PolarHBondContact O-N 3.23Å; L136-V140 HydrophobicContact CD1-CG2 4.43Å; L136-V140 VanDerWaalsContact O-CG2 3.28Å; L136-V140 WeakPolarHBondContact O-CG2 3.1Å; L136-V140 PolarHBondContact O-N 2.75Å; L136-I145 HydrophobicContact CD2-CD1 4.28Å; L136-I145 HydrophobicContact CG-CD1 3.96Å; L136-C162 VanDerWaalsContact CD2-SG 3.54Å; L136-Y183 HydrophobicContact CB-CD2 4.19Å; L136-Y183 HydrophobicContact CB-CE2 3.71Å; L136-Y183 HydrophobicContact CD1-CD2 3.88Å; L136-Y183 HydrophobicContact CD1-CE2 4.09Å; L136-Y183 HydrophobicContact CD1-CG 4.18Å; L136-Y183 HydrophobicContact CG-CE2 4.35Å; L136-V191 HydrophobicContact CD1-CG1 4.29Å; L136-V191 HydrophobicContact CD1-CG2 4.34Å
137	K	94.7	Very high	94.4	Very high	139 Å²	139	44.3 Å²	44.3	60%	0.604	24%	0.236	S	C	*	.	H	α-helix	trans	-64.4	-42.9	174.1	-70.1	-178.3	178.5	-165.9	0	112	E133 A134 I135 V140 Y141 I145	E133-K137 WeakPolarHBondContact O-CG 3.49Å; E133-K137 PolarHBondContact O-N 3.39Å; E133-K137 VanDerWaalsContact O-N 3.17Å; A134-K137 PolarHBondContact O-N 3.4Å; I135-K137 VanDerWaalsContact C-N 3.33Å; I135-K137 PolarHBondContact O-N 3.05Å; K137-V140 PolarHBondContact O-N 3.06Å; K137-Y141 PolarHBondContact O-N 3.4Å; K137-I145 HydrophobicContact CG-CD1 4.14Å
138	D	94.6	Very high	94.3	Very high	15 Å²	15	47.6 Å²	47.6	8%	0.08	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-40.8	179.7	-59.8	-19.8	0	0	0	110.9	L75 L101 R104 A134 I135 V140 Y141	L75-D138 WeakPolarHBondContact CD1-OD1 3.36Å; L101-D138 HydrophobicContact CD2-CB 3.6Å; R104-D138 IonicContact CZ-OD2 2.61Å; R104-D138 IonicContact NE-OD2 3.05Å; R104-D138 PolarHBondContact NE-OD2 3.43Å; R104-D138 IonicContact NH2-OD1 2.71Å; R104-D138 PolarHBondContact NH2-OD1 2.81Å; R104-D138 IonicContact NH2-OD2 3.06Å; R104-D138 PolarHBondContact NH2-OD2 3.09Å; A134-D138 PolarHBondContact O-N 2.77Å; I135-D138 PolarHBondContact O-N 2.76Å; D138-V140 VanDerWaalsContact C-N 3.3Å; D138-V140 PolarHBondContact O-N 2.77Å; D138-Y141 PolarHBondContact O-N 2.97Å
139	L	94.3	Very high	94.3	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-30.4	179	-75.1	179.1	0	0	0	114.4	V99 L101 I135 I179 L182 Y183	V99-L139 HydrophobicContact CG1-CD2 3.6Å; L101-L139 HydrophobicContact CD1-CD2 3.97Å; L101-L139 HydrophobicContact CD2-CD2 3.6Å; L101-L139 HydrophobicContact CD2-CG 3.79Å; L101-L139 HydrophobicContact CG-CD2 4Å; I135-L139 HydrophobicContact CG2-CD1 4.17Å; I135-L139 HydrophobicContact CG2-CG 4.26Å; I135-L139 WeakPolarHBondContact O-CG 3.37Å; I135-L139 PolarHBondContact O-N 2.76Å; L139-I179 HydrophobicContact CB-CG2 4.05Å; L139-I179 HydrophobicContact CD1-CG2 4.43Å; L139-L182 HydrophobicContact CD1-CB 4.46Å; L139-L182 HydrophobicContact CD2-CB 4.25Å; L139-L182 HydrophobicContact CD2-CD1 4.04Å; L139-Y183 HydrophobicContact CD1-CD2 3.85Å; L139-Y183 HydrophobicContact CD1-CG 4.25Å
140	V	93.4	Very high	94.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-95.2	-8	-172.1	179.7	0	0	0	0	111.9	L136 K137 D138 A143 L164 I172 I179 I193	L136-V140 HydrophobicContact CD1-CG2 4.43Å; L136-V140 VanDerWaalsContact O-CG2 3.28Å; L136-V140 WeakPolarHBondContact O-CG2 3.1Å; L136-V140 PolarHBondContact O-N 2.75Å; K137-V140 PolarHBondContact O-N 3.06Å; D138-V140 VanDerWaalsContact C-N 3.3Å; D138-V140 PolarHBondContact O-N 2.77Å; V140-A143 CarbonylContact C-O 3.59Å; V140-A143 HydrophobicContact CG1-CB 3.94Å; V140-A143 WeakPolarHBondContact O-CA 3.28Å; V140-A143 PolarHBondContact O-N 2.79Å; V140-L164 HydrophobicContact CG1-CD1 3.4Å; V140-L164 HydrophobicContact CG1-CD2 3.46Å; V140-L164 VanDerWaalsContact CG1-CD2 3.46Å; V140-L164 HydrophobicContact CG1-CG 4.04Å; V140-I172 HydrophobicContact CG1-CD1 4.5Å; V140-I172 WeakPolarHBondContact O-CD1 3.34Å; V140-I179 HydrophobicContact CG2-CG2 4.18Å; V140-I193 HydrophobicContact CG2-CD1 4.31Å
141	Y	92.2	Very high	94.2	Very high	72 Å²	72	54.7 Å²	54.7	28%	0.282	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	132	175.1	-166.7	-95	0	0	0	110.7	Q79 H82 K137 D138	Q79-Y141 HydrophobicContact CB-CE1 3.93Å; Q79-Y141 HydrophobicContact CB-CE2 4.13Å; Q79-Y141 HydrophobicContact CG-CD1 4.19Å; Q79-Y141 HydrophobicContact CG-CD2 4.16Å; Q79-Y141 HydrophobicContact CG-CE1 3.94Å; Q79-Y141 HydrophobicContact CG-CE2 3.91Å; Q79-Y141 HydrophobicContact CG-CG 4.3Å; Q79-Y141 WeakPolarHBondContact O-CE1 3.37Å; Q79-Y141 PolarHBondContact O-OH 3.17Å; Q79-Y141 VanDerWaalsContact O-OH 3.05Å; H82-Y141 HydrophobicContact CB-CD1 3.95Å; H82-Y141 HydrophobicContact CB-CE1 3.48Å; H82-Y141 VanDerWaalsContact CB-CE1 3.48Å; H82-Y141 AromaticContact CD2-CD1 3.63Å; H82-Y141 AromaticContact CE1-CD1 3.78Å; H82-Y141 PolarHBondContact CE1-O 2.9Å; H82-Y141 AromaticContact CG-CD1 3.47Å; H82-Y141 VanDerWaalsContact CG-CD1 3.47Å; H82-Y141 AromaticContact CG-CE1 3.53Å; H82-Y141 AromaticContact ND1-CD1 3.57Å; H82-Y141 AromaticContact ND1-CE1 3.79Å; H82-Y141 AromaticContact NE2-CD1 3.83Å; K137-Y141 PolarHBondContact O-N 3.4Å; D138-Y141 PolarHBondContact O-N 2.97Å
142	P	91.6	Very high	94.2	Very high	19 Å²	19	59.2 Å²	59.2	12%	0.123	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	cis	-81.9	-8.4	16.7	32.8	-37.7	0	0	0	116.1	Q168 I172	P142-Q168 PolarHBondContact O-NE2 3.21Å; P142-Q168 PolarHBondContact O-OE1 3.45Å; P142-I172 HydrophobicContact CG-CD1 4.32Å
143	A	92.7	Very high	94.1	Very high	5 Å²	5	64.3 Å²	64.3	4%	0.041	31%	0.312	C	S	.	.	S	Bend	trans	-74	141.7	-179.4	0	0	0	0	0	115.3	V140 L164 Q168 I172	V140-A143 CarbonylContact C-O 3.59Å; V140-A143 HydrophobicContact CG1-CB 3.94Å; V140-A143 WeakPolarHBondContact O-CA 3.28Å; V140-A143 PolarHBondContact O-N 2.79Å; A143-L164 HydrophobicContact CB-CB 4.42Å; A143-L164 HydrophobicContact CB-CD1 4.28Å; A143-Q168 HydrophobicContact CB-CB 3.93Å; A143-I172 HydrophobicContact CB-CD1 3.11Å; A143-I172 VanDerWaalsContact N-CD1 3.31Å
144	E	91.4	Very high	94.1	Very high	144 Å²	144	66.4 Å²	66.4	67%	0.673	34%	0.335	S	S	*	.			trans	-92	142.4	173.6	-59	-163.8	164.7	0	0	110.8	V146 L164 D165	E144-V146 PolarHBondContact O-N 3.05Å; E144-L164 WeakPolarHBondContact O-CA 3.46Å; E144-D165 PolarHBondContact O-N 2.89Å; E144-D165 VanDerWaalsContact O-N 3.13Å
145	I	93.7	Very high	94.1	Very high	47 Å²	47	72.6 Å²	72.6	24%	0.241	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	106.5	175.8	-57.6	173.1	0	0	0	107.3	L136 K137 G147 C162 H163 L164	L136-I145 HydrophobicContact CD2-CD1 4.28Å; L136-I145 HydrophobicContact CG-CD1 3.96Å; K137-I145 HydrophobicContact CG-CD1 4.14Å; I145-G147 VanDerWaalsContact CG2-O 3.3Å; I145-G147 WeakPolarHBondContact CG2-O 3.41Å; I145-C162 HydrophobicContact CG2-CB 4.45Å; I145-H163 CarbonylContact C-O 3.56Å; I145-L164 HydrophobicContact CB-CD2 4.41Å; I145-L164 HydrophobicContact CG1-CD2 3.81Å
146	V	93.3	Very high	93.9	Very high	101 Å²	101	73.9 Å²	73.9	61%	0.612	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	-38.4	177.5	179.3	0	0	0	0	110.8	E144 H163 D165	E144-V146 PolarHBondContact O-N 3.05Å; V146-H163 PolarHBondContact N-O 2.89Å; V146-D165 HydrophobicContact CG2-CB 3.98Å
147	G	92.7	Very high	93.9	Very high	22 Å²	22	76 Å²	76	23%	0.227	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.3	-175.5	0	0	0	0	0	112.6	I145 C162 H163	I145-G147 VanDerWaalsContact CG2-O 3.3Å; I145-G147 WeakPolarHBondContact CG2-O 3.41Å; G147-C162 WeakPolarHBondContact O-CA 2.94Å; G147-H163 PolarHBondContact N-O 3.39Å; G147-H163 PolarHBondContact O-N 3.04Å
148	K	93.9	Very high	93.8	Very high	81 Å²	81	72.8 Å²	72.8	35%	0.352	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.8	174.1	-179.1	-177.3	171.6	-171.9	0	109.3	E133 I160 K161	E133-K148 IonicContact OE1-NZ 3.19Å; E133-K148 PolarHBondContact OE1-NZ 2.96Å; K148-I160 HydrophobicContact CG-CG2 4.12Å; K148-K161 CarbonylContact C-O 3.51Å; K148-K161 WeakPolarHBondContact CA-O 3.41Å
149	R	94.4	Very high	93.9	Very high	153 Å²	153	72.7 Å²	72.7	58%	0.577	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.1	175	-62.4	179.9	178.1	-176.2	1.5	108.6	I160 K161	R149-I160 CarbonylContact O-C 3.5Å; R149-K161 HydrophobicContact CB-CB 4.3Å; R149-K161 PolarHBondContact N-O 3.48Å; R149-K161 PolarHBondContact O-N 3.17Å
150	I	95.5	Very high	93.9	Very high	104 Å²	104	72.9 Å²	72.9	53%	0.533	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.4	173.9	-58.2	177.4	0	0	0	106.5	I160	I150-I160 HydrophobicContact CG1-CG1 4.4Å
151	Q	94.9	Very high	94	Very high	83 Å²	83	75.4 Å²	75.4	39%	0.388	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.6	174.8	-175.6	176.1	-1	0	0	108.6	T158 L159	Q151-T158 WeakPolarHBondContact O-CA 3.3Å; Q151-L159 PolarHBondContact N-O 3.21Å; Q151-L159 PolarHBondContact O-N 2.71Å
152	V	96.1	Very high	94.1	Very high	100 Å²	100	72 Å²	72	61%	0.606	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	122	169.3	-172.1	0	0	0	0	106.9	T158	V152-T158 HydrophobicContact CG2-CG2 4.38Å
153	R	94.4	Very high	94.2	Very high	123 Å²	123	71.7 Å²	71.7	46%	0.464	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-82	165.4	176.6	-61.9	-175.3	-178.3	155.8	-3.9	110.4	D155 G156 S157	R153-D155 PolarHBondContact O-N 2.61Å; R153-G156 PolarHBondContact O-N 2.78Å; R153-S157 WeakPolarHBondContact CD-OG 3.28Å; R153-S157 PolarHBondContact N-O 2.78Å
154	C	95.5	Very high	94.2	Very high	140 Å²	140	71.5 Å²	71.5	95%	0.946	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.3	177.7	-57.6	0	0	0	0	112.6	G156	C154-G156 PolarHBondContact O-N 2.81Å
155	D	95	Very high	94.2	Very high	147 Å²	147	67.6 Å²	67.6	79%	0.786	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	1.5	178.1	-43.8	-37.6	0	0	0	113.6	R153 S157	R153-D155 PolarHBondContact O-N 2.61Å; D155-S157 PolarHBondContact O-N 3.05Å
156	G	92.9	Very high	94.1	Very high	50 Å²	50	68.1 Å²	68.1	52%	0.515	38%	0.375	S	S	.	.	S	Bend	trans	80.6	-6.1	-176	0	0	0	0	0	115	R153 C154	R153-G156 PolarHBondContact O-N 2.78Å; C154-G156 PolarHBondContact O-N 2.81Å
157	S	93.8	Very high	93.9	Very high	47 Å²	47	67 Å²	67	33%	0.329	38%	0.376	S	S	.	.			trans	-65.8	138.9	174.1	60.7	0	0	0	0	111.5	R153 D155	R153-S157 WeakPolarHBondContact CD-OG 3.28Å; R153-S157 PolarHBondContact N-O 2.78Å; D155-S157 PolarHBondContact O-N 3.05Å
158	T	94.5	Very high	93.7	Very high	71 Å²	71	68.2 Å²	68.2	44%	0.436	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.3	-179.1	62.9	0	0	0	0	110.9	Q151 V152	Q151-T158 WeakPolarHBondContact O-CA 3.3Å; V152-T158 HydrophobicContact CG2-CG2 4.38Å
159	L	94.9	Very high	93.4	Very high	14 Å²	14	68.9 Å²	68.9	7%	0.073	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.9	173	-178.8	68.7	0	0	0	109.8	Q151 D190 Q192	Q151-L159 PolarHBondContact N-O 3.21Å; Q151-L159 PolarHBondContact O-N 2.71Å; L159-D190 HydrophobicContact CD1-CB 3.91Å; L159-Q192 HydrophobicContact CD1-CB 4.26Å
160	I	95.7	Very high	93.2	Very high	7 Å²	7	68 Å²	68	4%	0.036	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.6	175.8	-58	171.8	0	0	0	108.1	K148 R149 I150 Y183 K189 D190 V191 Q192	K148-I160 HydrophobicContact CG-CG2 4.12Å; R149-I160 CarbonylContact O-C 3.5Å; I150-I160 HydrophobicContact CG1-CG1 4.4Å; I160-Y183 HydrophobicContact CD1-CE1 4.35Å; I160-K189 HydrophobicContact CD1-CB 4.38Å; I160-K189 HydrophobicContact CD1-CD 4.17Å; I160-D190 PolarHBondContact N-O 2.96Å; I160-V191 HydrophobicContact CB-CG2 3.97Å; I160-V191 HydrophobicContact CD1-CG2 4.23Å; I160-V191 HydrophobicContact CG2-CG2 4.32Å; I160-V191 CarbonylContact O-C 3.59Å; I160-V191 VanDerWaalsContact O-CA 3.28Å; I160-V191 WeakPolarHBondContact O-CA 3.46Å; I160-Q192 PolarHBondContact O-N 3.28Å
161	K	94.6	Very high	92.8	Very high	54 Å²	54	70 Å²	70	24%	0.235	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.2	170.9	-66.6	-174.9	176.8	178.1	0	109.5	K148 R149 Q192	K148-K161 CarbonylContact C-O 3.51Å; K148-K161 WeakPolarHBondContact CA-O 3.41Å; R149-K161 HydrophobicContact CB-CB 4.3Å; R149-K161 PolarHBondContact N-O 3.48Å; R149-K161 PolarHBondContact O-N 3.17Å; K161-Q192 CarbonylContact C-O 3.54Å; K161-Q192 WeakPolarHBondContact CA-O 3.45Å; K161-Q192 HydrophobicContact CG-CB 4.39Å
162	C	94.3	Very high	92.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.9	179	-75.8	0	0	0	0	109.9	L136 I145 G147 Q192 I193 E194	L136-C162 VanDerWaalsContact CD2-SG 3.54Å; I145-C162 HydrophobicContact CG2-CB 4.45Å; G147-C162 WeakPolarHBondContact O-CA 2.94Å; C162-Q192 PolarHBondContact N-O 3.41Å; C162-I193 WeakPolarHBondContact O-CA 2.99Å; C162-E194 PolarHBondContact O-N 3.38Å
163	H	93.5	Very high	92.4	Very high	13 Å²	13	65.4 Å²	65.4	6%	0.06	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.7	174.3	-59.1	-57.1	0	0	0	108.6	I145 V146 G147 E194 P196	I145-H163 CarbonylContact C-O 3.56Å; V146-H163 PolarHBondContact N-O 2.89Å; G147-H163 PolarHBondContact N-O 3.39Å; G147-H163 PolarHBondContact O-N 3.04Å; H163-E194 VanDerWaalsContact CA-O 3.29Å; H163-E194 WeakPolarHBondContact CA-O 3.23Å; H163-E194 IonicContact CE1-OE2 2.86Å; H163-P196 HydrophobicContact CB-CG 4.41Å
164	L	93.8	Very high	92.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	159.9	176.8	-55	-169.9	0	0	0	111.1	V140 A143 E144 I145 I172 L176 I193 E194 F195 P196	V140-L164 HydrophobicContact CG1-CD1 3.4Å; V140-L164 HydrophobicContact CG1-CD2 3.46Å; V140-L164 VanDerWaalsContact CG1-CD2 3.46Å; V140-L164 HydrophobicContact CG1-CG 4.04Å; A143-L164 HydrophobicContact CB-CB 4.42Å; A143-L164 HydrophobicContact CB-CD1 4.28Å; E144-L164 WeakPolarHBondContact O-CA 3.46Å; I145-L164 HydrophobicContact CB-CD2 4.41Å; I145-L164 HydrophobicContact CG1-CD2 3.81Å; L164-I172 HydrophobicContact CD1-CG2 4.04Å; L164-L176 HydrophobicContact CD1-CD2 4.49Å; L164-I193 HydrophobicContact CD1-CG2 3.36Å; L164-I193 HydrophobicContact CD2-CG2 4.21Å; L164-I193 HydrophobicContact CG-CG2 3.5Å; L164-I193 VanDerWaalsContact CG-CG2 3.5Å; L164-E194 PolarHBondContact N-O 3.15Å; L164-F195 HydrophobicContact CB-CD1 4.01Å; L164-F195 HydrophobicContact CB-CE1 3.78Å; L164-F195 HydrophobicContact CD1-CE1 4.32Å; L164-F195 HydrophobicContact CD1-CZ 4.48Å; L164-P196 WeakPolarHBondContact O-CD 3.2Å
165	D	91.6	Very high	92	Very high	62 Å²	62	59.4 Å²	59.4	33%	0.332	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-63.7	135.5	172.3	-171.6	14.8	0	0	0	111.5	E144 V146 A167	E144-D165 PolarHBondContact O-N 2.89Å; E144-D165 VanDerWaalsContact O-N 3.13Å; V146-D165 HydrophobicContact CG2-CB 3.98Å; D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 PolarHBondContact OD1-N 3.5Å
166	V	90.4	Very high	91.8	Very high	59 Å²	59	54 Å²	54	36%	0.358	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-70.9	-30.7	-177	-175.5	0	0	0	0	110.7	Q168 R169 P196	V166-Q168 PolarHBondContact O-N 2.85Å; V166-Q168 VanDerWaalsContact O-N 3.12Å; V166-R169 WeakPolarHBondContact O-CB 3.17Å; V166-R169 PolarHBondContact O-N 3Å; V166-R169 VanDerWaalsContact O-N 3.13Å; V166-P196 HydrophobicContact CG2-CG 4.25Å; V166-P196 WeakPolarHBondContact CG2-O 3.25Å
167	A	89.9	Confident	91.8	Very high	78 Å²	78	59.3 Å²	59.3	65%	0.645	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-59.5	-27.9	-179.3	0	0	0	0	0	113.1	D165	D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 PolarHBondContact OD1-N 3.5Å
168	Q	87.4	Confident	91.8	Very high	46 Å²	46	57.1 Å²	57.1	22%	0.215	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-104.3	11	-175.6	-66.4	167.9	-53.8	0	0	113.1	P142 A143 V166 N170 Y171	P142-Q168 PolarHBondContact O-NE2 3.21Å; P142-Q168 PolarHBondContact O-OE1 3.45Å; A143-Q168 HydrophobicContact CB-CB 3.93Å; V166-Q168 PolarHBondContact O-N 2.85Å; V166-Q168 VanDerWaalsContact O-N 3.12Å; Q168-N170 VanDerWaalsContact C-N 3.33Å; Q168-N170 PolarHBondContact O-N 3.46Å; Q168-Y171 PolarHBondContact O-N 2.93Å; Q168-Y171 VanDerWaalsContact O-N 3.14Å
169	R	89	Confident	91.8	Very high	96 Å²	96	54 Å²	54	36%	0.362	26%	0.264	S	S	.	.	H	α-helix	trans	-50.1	-49.6	-179.2	177.9	174.1	179.2	164	7	112.9	V166 Y171 I172 E173 F195	V166-R169 WeakPolarHBondContact O-CB 3.17Å; V166-R169 PolarHBondContact O-N 3Å; V166-R169 VanDerWaalsContact O-N 3.13Å; R169-Y171 PolarHBondContact O-N 3.35Å; R169-Y171 VanDerWaalsContact O-N 3.15Å; R169-I172 PolarHBondContact O-N 3.46Å; R169-I172 VanDerWaalsContact O-N 3.17Å; R169-E173 HydrophobicContact CG-CB 4.31Å; R169-E173 VanDerWaalsContact CG-OE2 3.27Å; R169-E173 WeakPolarHBondContact CG-OE2 3.47Å; R169-E173 IonicContact CZ-OE1 3.55Å; R169-E173 IonicContact CZ-OE2 3.73Å; R169-E173 IonicContact NE-OE1 3.37Å; R169-E173 PolarHBondContact NE-OE1 3.29Å; R169-E173 IonicContact NE-OE2 2.76Å; R169-E173 PolarHBondContact NE-OE2 3.19Å; R169-E173 IonicContact NH2-OE1 2.81Å; R169-E173 PolarHBondContact NH2-OE1 2.93Å; R169-E173 IonicContact NH2-OE2 3.98Å; R169-E173 WeakPolarHBondContact O-CB 3.47Å; R169-E173 PolarHBondContact O-N 2.84Å; R169-F195 HydrophobicContact CB-CD1 4.15Å; R169-F195 HydrophobicContact CB-CE1 3.9Å; R169-F195 HydrophobicContact CB-CE2 4.45Å; R169-F195 HydrophobicContact CB-CZ 4.07Å; R169-F195 HydrophobicContact CG-CD1 4.39Å; R169-F195 HydrophobicContact CG-CD2 4.07Å; R169-F195 HydrophobicContact CG-CE1 4.21Å; R169-F195 HydrophobicContact CG-CE2 3.87Å; R169-F195 HydrophobicContact CG-CG 4.32Å; R169-F195 HydrophobicContact CG-CZ 3.96Å
170	N	90	Very high	91.7	Very high	133 Å²	133	55.1 Å²	55.1	71%	0.711	27%	0.272	S	S	*	.	H	α-helix	trans	-57.9	-33.5	-176.5	-65.2	-20.1	0	0	0	113.3	Q168 H174	Q168-N170 VanDerWaalsContact C-N 3.33Å; Q168-N170 PolarHBondContact O-N 3.46Å; N170-H174 PolarHBondContact O-ND1 3.09Å
171	Y	87.5	Confident	91.7	Very high	148 Å²	148	55.5 Å²	55.5	58%	0.58	28%	0.277	S	S	*	.	H	α-helix	trans	-78.7	-25.2	-176.5	-65.6	-73.2	0	0	0	113.6	Q168 R169 H174	Q168-Y171 PolarHBondContact O-N 2.93Å; Q168-Y171 VanDerWaalsContact O-N 3.14Å; R169-Y171 PolarHBondContact O-N 3.35Å; R169-Y171 VanDerWaalsContact O-N 3.15Å; Y171-H174 PolarHBondContact O-CE1 2.95Å
172	I	90.8	Very high	91.7	Very high	4 Å²	4	53 Å²	53	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-120.9	-24	-167.7	-72.5	160.4	0	0	0	113.1	V140 P142 A143 L164 R169 H174 K175 L176 I179	V140-I172 HydrophobicContact CG1-CD1 4.5Å; V140-I172 WeakPolarHBondContact O-CD1 3.34Å; P142-I172 HydrophobicContact CG-CD1 4.32Å; A143-I172 HydrophobicContact CB-CD1 3.11Å; A143-I172 VanDerWaalsContact N-CD1 3.31Å; L164-I172 HydrophobicContact CD1-CG2 4.04Å; R169-I172 PolarHBondContact O-N 3.46Å; R169-I172 VanDerWaalsContact O-N 3.17Å; I172-H174 PolarHBondContact O-N 3.05Å; I172-H174 VanDerWaalsContact O-N 3.12Å; I172-K175 WeakPolarHBondContact O-CA 3.4Å; I172-K175 PolarHBondContact O-N 3.39Å; I172-L176 HydrophobicContact CG2-CD2 3.7Å; I172-L176 HydrophobicContact CG2-CG 4.48Å; I172-L176 PolarHBondContact O-N 2.83Å; I172-I179 HydrophobicContact CG2-CD1 3.96Å
173	E	90.8	Very high	91.7	Very high	82 Å²	82	53.1 Å²	53.1	38%	0.383	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-52	-40.7	-177.2	-176	164.9	-157.1	0	0	112.3	R169 K175 L176 F195	R169-E173 HydrophobicContact CG-CB 4.31Å; R169-E173 VanDerWaalsContact CG-OE2 3.27Å; R169-E173 WeakPolarHBondContact CG-OE2 3.47Å; R169-E173 IonicContact CZ-OE1 3.55Å; R169-E173 IonicContact CZ-OE2 3.73Å; R169-E173 IonicContact NE-OE1 3.37Å; R169-E173 PolarHBondContact NE-OE1 3.29Å; R169-E173 IonicContact NE-OE2 2.76Å; R169-E173 PolarHBondContact NE-OE2 3.19Å; R169-E173 IonicContact NH2-OE1 2.81Å; R169-E173 PolarHBondContact NH2-OE1 2.93Å; R169-E173 IonicContact NH2-OE2 3.98Å; R169-E173 WeakPolarHBondContact O-CB 3.47Å; R169-E173 PolarHBondContact O-N 2.84Å; E173-K175 VanDerWaalsContact C-N 3.31Å; E173-K175 PolarHBondContact O-N 2.7Å; E173-L176 WeakPolarHBondContact O-CG 3.31Å; E173-F195 HydrophobicContact CB-CE2 4.25Å; E173-F195 HydrophobicContact CG-CE2 4.49Å
174	H	90.5	Very high	91.8	Very high	109 Å²	109	57.8 Å²	57.8	51%	0.505	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-72.1	-18.5	177.9	65	-87	0	0	0	114.3	N170 Y171 I172	N170-H174 PolarHBondContact O-ND1 3.09Å; Y171-H174 PolarHBondContact O-CE1 2.95Å; I172-H174 PolarHBondContact O-N 3.05Å; I172-H174 VanDerWaalsContact O-N 3.12Å
175	K	90.4	Very high	91.9	Very high	28 Å²	28	62.4 Å²	62.4	12%	0.122	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-99.7	-2.4	179.8	-55.8	-167.8	-177.5	-166	0	113.7	E90 I172 E173 K177 T178 I179	E90-K175 IonicContact OE1-NZ 2.74Å; E90-K175 PolarHBondContact OE1-NZ 2.82Å; E90-K175 IonicContact OE2-NZ 2.9Å; E90-K175 PolarHBondContact OE2-NZ 3.31Å; I172-K175 WeakPolarHBondContact O-CA 3.4Å; I172-K175 PolarHBondContact O-N 3.39Å; E173-K175 VanDerWaalsContact C-N 3.31Å; E173-K175 PolarHBondContact O-N 2.7Å; K175-K177 PolarHBondContact O-N 2.84Å; K175-T178 WeakPolarHBondContact O-CB 3.39Å; K175-T178 PolarHBondContact O-N 2.9Å; K175-T178 VanDerWaalsContact O-N 3.1Å; K175-I179 HydrophobicContact CB-CD1 3.98Å; K175-I179 HydrophobicContact CB-CG1 4.37Å; K175-I179 WeakPolarHBondContact O-CG1 3.41Å; K175-I179 PolarHBondContact O-N 3.45Å
176	L	92.5	Very high	92	Very high	32 Å²	32	62.1 Å²	62.1	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-41.5	-171.9	-70	179.4	0	0	0	114	L164 I172 E173 T178 I179 T180 I193 F195	L164-L176 HydrophobicContact CD1-CD2 4.49Å; I172-L176 HydrophobicContact CG2-CD2 3.7Å; I172-L176 HydrophobicContact CG2-CG 4.48Å; I172-L176 PolarHBondContact O-N 2.83Å; E173-L176 WeakPolarHBondContact O-CG 3.31Å; L176-T178 VanDerWaalsContact C-N 3.31Å; L176-T178 PolarHBondContact O-N 3.47Å; L176-I179 PolarHBondContact O-N 3.41Å; L176-T180 WeakPolarHBondContact O-CB 3.45Å; L176-T180 VanDerWaalsContact O-CG2 3.31Å; L176-T180 WeakPolarHBondContact O-CG2 3.27Å; L176-T180 PolarHBondContact O-N 2.87Å; L176-T180 PolarHBondContact O-OG1 3.45Å; L176-I193 HydrophobicContact CD2-CB 3.92Å; L176-I193 HydrophobicContact CD2-CD1 4.17Å; L176-I193 HydrophobicContact CD2-CG2 3.56Å; L176-F195 HydrophobicContact CD1-CE2 4Å
177	K	92.3	Very high	92.2	Very high	162 Å²	162	60.3 Å²	60.3	70%	0.704	29%	0.294	S	S	*	.	H	α-helix	trans	-63.9	-40.7	178.4	-69	-179.9	-178.2	172.2	0	111.2	K175 T180 G181	K175-K177 PolarHBondContact O-N 2.84Å; K177-T180 PolarHBondContact O-OG1 3.32Å; K177-G181 PolarHBondContact O-N 3.02Å; K177-G181 VanDerWaalsContact O-N 3.12Å
178	T	93.1	Very high	92.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-46.6	177.9	-34	0	0	0	0	110.8	I60 E63 A65 H97 K175 L176 T180 G181 L182	I60-T178 HydrophobicContact CD1-CG2 3.76Å; I60-T178 VanDerWaalsContact CD1-O 3.25Å; I60-T178 WeakPolarHBondContact CD1-O 3.25Å; E63-T178 PolarHBondContact OE2-OG1 3.43Å; A65-T178 HydrophobicContact CB-CG2 3.54Å; H97-T178 HydrophobicContact CB-CG2 4.08Å; H97-T178 PolarHBondContact CD2-OG1 3.27Å; H97-T178 VanDerWaalsContact CD2-OG1 3.23Å; K175-T178 WeakPolarHBondContact O-CB 3.39Å; K175-T178 PolarHBondContact O-N 2.9Å; K175-T178 VanDerWaalsContact O-N 3.1Å; L176-T178 VanDerWaalsContact C-N 3.31Å; L176-T178 PolarHBondContact O-N 3.47Å; T178-T180 PolarHBondContact O-N 3.11Å; T178-G181 PolarHBondContact O-N 3.3Å; T178-L182 WeakPolarHBondContact O-CB 2.84Å; T178-L182 WeakPolarHBondContact O-CG 3.43Å; T178-L182 PolarHBondContact O-N 3.19Å
179	I	93.9	Very high	92.7	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-46.3	179.8	-69.3	165.9	0	0	0	111.5	L139 V140 I172 K175 L176 G181 L182 Y183 I193	L139-I179 HydrophobicContact CB-CG2 4.05Å; L139-I179 HydrophobicContact CD1-CG2 4.43Å; V140-I179 HydrophobicContact CG2-CG2 4.18Å; I172-I179 HydrophobicContact CG2-CD1 3.96Å; K175-I179 HydrophobicContact CB-CD1 3.98Å; K175-I179 HydrophobicContact CB-CG1 4.37Å; K175-I179 WeakPolarHBondContact O-CG1 3.41Å; K175-I179 PolarHBondContact O-N 3.45Å; L176-I179 PolarHBondContact O-N 3.41Å; I179-G181 PolarHBondContact O-N 2.71Å; I179-L182 PolarHBondContact O-N 3.15Å; I179-Y183 PolarHBondContact O-N 3.24Å; I179-I193 HydrophobicContact CB-CD1 4.4Å; I179-I193 HydrophobicContact CG2-CD1 3.68Å
180	T	94.5	Very high	93	Very high	39 Å²	39	59.2 Å²	59.2	24%	0.239	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-41.9	179.3	51.1	0	0	0	0	111.5	L176 K177 T178 Y183 K184 V191 I193	L176-T180 WeakPolarHBondContact O-CB 3.45Å; L176-T180 VanDerWaalsContact O-CG2 3.31Å; L176-T180 WeakPolarHBondContact O-CG2 3.27Å; L176-T180 PolarHBondContact O-N 2.87Å; L176-T180 PolarHBondContact O-OG1 3.45Å; K177-T180 PolarHBondContact O-OG1 3.32Å; T178-T180 PolarHBondContact O-N 3.11Å; T180-Y183 PolarHBondContact O-N 3.19Å; T180-K184 WeakPolarHBondContact O-CB 3.37Å; T180-K184 PolarHBondContact O-N 3.18Å; T180-V191 WeakPolarHBondContact CG2-O 3.49Å; T180-I193 HydrophobicContact CG2-CD1 4.01Å; T180-I193 HydrophobicContact CG2-CG1 3.99Å
181	G	94.7	Very high	93.3	Very high	15 Å²	15	53.6 Å²	53.6	16%	0.155	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-41.2	174.1	0	0	0	0	0	113.8	K177 T178 I179 K184 K185	K177-G181 PolarHBondContact O-N 3.02Å; K177-G181 VanDerWaalsContact O-N 3.12Å; T178-G181 PolarHBondContact O-N 3.3Å; I179-G181 PolarHBondContact O-N 2.71Å; G181-K184 PolarHBondContact O-N 3.15Å; G181-K185 WeakPolarHBondContact O-CG 3.14Å; G181-K185 PolarHBondContact O-N 2.57Å
182	L	94.6	Very high	93.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-48.5	175.5	-81.5	-180	0	0	0	110.6	M58 I60 A65 V67 V99 L139 T178 I179 K184 K185 L186	M58-L182 HydrophobicContact CB-CD2 3.96Å; M58-L182 HydrophobicContact CG-CD2 4.18Å; I60-L182 HydrophobicContact CD1-CB 4.2Å; I60-L182 HydrophobicContact CD1-CD2 3.58Å; I60-L182 HydrophobicContact CD1-CG 3.41Å; I60-L182 VanDerWaalsContact CD1-CG 3.41Å; A65-L182 HydrophobicContact CB-CD1 4.27Å; A65-L182 HydrophobicContact CB-CD2 4.09Å; A65-L182 HydrophobicContact CB-CG 4.3Å; V67-L182 HydrophobicContact CG2-CD1 4.04Å; V67-L182 HydrophobicContact CG2-CD2 3.47Å; V67-L182 VanDerWaalsContact CG2-CD2 3.47Å; V67-L182 HydrophobicContact CG2-CG 4.4Å; V99-L182 HydrophobicContact CB-CD1 4.09Å; V99-L182 HydrophobicContact CG2-CD1 3.76Å; L139-L182 HydrophobicContact CD1-CB 4.46Å; L139-L182 HydrophobicContact CD2-CB 4.25Å; L139-L182 HydrophobicContact CD2-CD1 4.04Å; T178-L182 WeakPolarHBondContact O-CB 2.84Å; T178-L182 WeakPolarHBondContact O-CG 3.43Å; T178-L182 PolarHBondContact O-N 3.19Å; I179-L182 PolarHBondContact O-N 3.15Å; L182-K184 VanDerWaalsContact C-N 3.32Å; L182-K184 PolarHBondContact O-N 3.42Å; L182-K185 PolarHBondContact O-N 3.43Å; L182-L186 WeakPolarHBondContact O-CB 3.23Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.32Å; L182-L186 PolarHBondContact O-N 2.94Å
183	Y	95.6	Very high	93.8	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-41.8	-179.7	-171.6	-98.7	0	0	0	111.9	I135 L136 L139 I160 I179 T180 L186 T187 K189 V191	I135-Y183 HydrophobicContact CG2-CD2 4.19Å; I135-Y183 HydrophobicContact CG2-CE2 4.4Å; L136-Y183 HydrophobicContact CB-CD2 4.19Å; L136-Y183 HydrophobicContact CB-CE2 3.71Å; L136-Y183 HydrophobicContact CD1-CD2 3.88Å; L136-Y183 HydrophobicContact CD1-CE2 4.09Å; L136-Y183 HydrophobicContact CD1-CG 4.18Å; L136-Y183 HydrophobicContact CG-CE2 4.35Å; L139-Y183 HydrophobicContact CD1-CD2 3.85Å; L139-Y183 HydrophobicContact CD1-CG 4.25Å; I160-Y183 HydrophobicContact CD1-CE1 4.35Å; I179-Y183 PolarHBondContact O-N 3.24Å; T180-Y183 PolarHBondContact O-N 3.19Å; Y183-L186 PolarHBondContact O-N 3.33Å; Y183-T187 WeakPolarHBondContact CD1-OG1 3.26Å; Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE1-CG2 4.41Å; Y183-T187 VanDerWaalsContact CE1-OG1 3.25Å; Y183-T187 WeakPolarHBondContact CE1-OG1 3.16Å; Y183-T187 HydrophobicContact CE2-CG2 3.61Å; Y183-T187 HydrophobicContact CG-CG2 4.47Å; Y183-T187 WeakPolarHBondContact O-CB 3.26Å; Y183-T187 PolarHBondContact O-N 3.01Å; Y183-T187 PolarHBondContact O-OG1 3.24Å; Y183-K189 HydrophobicContact CD1-CB 4.48Å; Y183-K189 WeakPolarHBondContact CD1-O 3.46Å; Y183-K189 HydrophobicContact CE1-CB 3.79Å; Y183-V191 HydrophobicContact CD1-CB 4.1Å; Y183-V191 HydrophobicContact CD1-CG2 3.13Å; Y183-V191 HydrophobicContact CE1-CG2 3.16Å; Y183-V191 HydrophobicContact CG-CG2 4Å
184	K	95.2	Very high	93.8	Very high	111 Å²	111	50 Å²	50	48%	0.483	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-44.2	175.2	-174.9	172.8	-174.7	146.1	0	111.8	T180 G181 L182 G188 K189 D190	T180-K184 WeakPolarHBondContact O-CB 3.37Å; T180-K184 PolarHBondContact O-N 3.18Å; G181-K184 PolarHBondContact O-N 3.15Å; L182-K184 VanDerWaalsContact C-N 3.32Å; L182-K184 PolarHBondContact O-N 3.42Å; K184-G188 WeakPolarHBondContact O-CA 3.46Å; K184-G188 PolarHBondContact O-N 3.24Å; K184-K189 WeakPolarHBondContact CA-O 3.49Å; K184-D190 VanDerWaalsContact CD-OD1 3.25Å; K184-D190 WeakPolarHBondContact CD-OD1 3.39Å; K184-D190 WeakPolarHBondContact CE-OD1 3.49Å; K184-D190 IonicContact NZ-OD1 2.93Å; K184-D190 PolarHBondContact NZ-OD1 3.19Å; K184-D190 IonicContact NZ-OD2 3.32Å
185	K	94.4	Very high	93.8	Very high	98 Å²	98	46.2 Å²	46.2	43%	0.426	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-39.1	177.6	-74.7	-165.1	177.5	-159.8	0	113.4	M58 T59 G181 L182	M58-K185 HydrophobicContact CE-CB 4.06Å; M58-K185 HydrophobicContact CE-CD 3.52Å; M58-K185 HydrophobicContact CE-CG 4.44Å; T59-K185 WeakPolarHBondContact O-CE 3.46Å; T59-K185 PolarHBondContact O-NZ 3.4Å; G181-K185 WeakPolarHBondContact O-CG 3.14Å; G181-K185 PolarHBondContact O-N 2.57Å; L182-K185 PolarHBondContact O-N 3.43Å
186	L	93.7	Very high	93.7	Very high	56 Å²	56	45.5 Å²	45.5	29%	0.293	24%	0.238	S	C	.	.	H	α-helix	trans	-78.3	-35.1	-177.2	-69.3	173.1	0	0	0	113.1	Y69 L101 I135 L182 Y183	Y69-L186 VanDerWaalsContact OH-CD2 3.3Å; Y69-L186 WeakPolarHBondContact OH-CD2 3.38Å; L101-L186 HydrophobicContact CD1-CD1 3.37Å; I135-L186 HydrophobicContact CG2-CD1 4.35Å; L182-L186 WeakPolarHBondContact O-CB 3.23Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.32Å; L182-L186 PolarHBondContact O-N 2.94Å; Y183-L186 PolarHBondContact O-N 3.33Å
187	T	94.6	Very high	93	Very high	21 Å²	21	51.2 Å²	51.2	13%	0.129	27%	0.269	C	S	.	.	H	α-helix	trans	-117.2	-16.8	-170.5	70.2	0	0	0	0	114.8	H132 I135 Y183 K189	H132-T187 HydrophobicContact CB-CG2 4.42Å; I135-T187 HydrophobicContact CD1-CG2 4.49Å; Y183-T187 WeakPolarHBondContact CD1-OG1 3.26Å; Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE1-CG2 4.41Å; Y183-T187 VanDerWaalsContact CE1-OG1 3.25Å; Y183-T187 WeakPolarHBondContact CE1-OG1 3.16Å; Y183-T187 HydrophobicContact CE2-CG2 3.61Å; Y183-T187 HydrophobicContact CG-CG2 4.47Å; Y183-T187 WeakPolarHBondContact O-CB 3.26Å; Y183-T187 PolarHBondContact O-N 3.01Å; Y183-T187 PolarHBondContact O-OG1 3.24Å; T187-K189 PolarHBondContact O-N 3.29Å; T187-K189 PolarHBondContact OG1-N 3.18Å
188	G	94.3	Very high	92.1	Very high	65 Å²	65	50.3 Å²	50.3	67%	0.67	26%	0.261	S	S	*	.	S	Bend	trans	73.1	10.8	-172.8	0	0	0	0	0	114.5	K184	K184-G188 WeakPolarHBondContact O-CA 3.46Å; K184-G188 PolarHBondContact O-N 3.24Å
189	K	94.7	Very high	90.6	Very high	68 Å²	68	56.5 Å²	56.5	30%	0.296	30%	0.299	S	S	.	.			trans	-108.9	141.9	-177.8	-64.6	-176.8	-179.7	-177	0	111.5	I160 Y183 K184 T187	I160-K189 HydrophobicContact CD1-CB 4.38Å; I160-K189 HydrophobicContact CD1-CD 4.17Å; Y183-K189 HydrophobicContact CD1-CB 4.48Å; Y183-K189 WeakPolarHBondContact CD1-O 3.46Å; Y183-K189 HydrophobicContact CE1-CB 3.79Å; K184-K189 WeakPolarHBondContact CA-O 3.49Å; T187-K189 PolarHBondContact O-N 3.29Å; T187-K189 PolarHBondContact OG1-N 3.18Å
190	D	94.9	Very high	88.5	Confident	64 Å²	64	67.1 Å²	67.1	34%	0.342	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131	175.5	-67.9	-41.1	0	0	0	111.1	L159 I160 K184	L159-D190 HydrophobicContact CD1-CB 3.91Å; I160-D190 PolarHBondContact N-O 2.96Å; K184-D190 VanDerWaalsContact CD-OD1 3.25Å; K184-D190 WeakPolarHBondContact CD-OD1 3.39Å; K184-D190 WeakPolarHBondContact CE-OD1 3.49Å; K184-D190 IonicContact NZ-OD1 2.93Å; K184-D190 PolarHBondContact NZ-OD1 3.19Å; K184-D190 IonicContact NZ-OD2 3.32Å
191	V	95.5	Very high	88.2	Confident	14 Å²	14	68.5 Å²	68.5	9%	0.085	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136	176.2	175.4	0	0	0	0	109.2	L136 I160 T180 Y183 I193	L136-V191 HydrophobicContact CD1-CG1 4.29Å; L136-V191 HydrophobicContact CD1-CG2 4.34Å; I160-V191 HydrophobicContact CB-CG2 3.97Å; I160-V191 HydrophobicContact CD1-CG2 4.23Å; I160-V191 HydrophobicContact CG2-CG2 4.32Å; I160-V191 CarbonylContact O-C 3.59Å; I160-V191 VanDerWaalsContact O-CA 3.28Å; I160-V191 WeakPolarHBondContact O-CA 3.46Å; T180-V191 WeakPolarHBondContact CG2-O 3.49Å; Y183-V191 HydrophobicContact CD1-CB 4.1Å; Y183-V191 HydrophobicContact CD1-CG2 3.13Å; Y183-V191 HydrophobicContact CE1-CG2 3.16Å; Y183-V191 HydrophobicContact CG-CG2 4Å; V191-I193 HydrophobicContact CG1-CD1 4.44Å; V191-I193 HydrophobicContact CG1-CG1 3.76Å
192	Q	95	Very high	87.8	Confident	77 Å²	77	71.3 Å²	71.3	36%	0.36	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.6	167.8	178	168.3	-1.3	0	0	107.8	L159 I160 K161 C162 E194	L159-Q192 HydrophobicContact CD1-CB 4.26Å; I160-Q192 PolarHBondContact O-N 3.28Å; K161-Q192 CarbonylContact C-O 3.54Å; K161-Q192 WeakPolarHBondContact CA-O 3.45Å; K161-Q192 HydrophobicContact CG-CB 4.39Å; C162-Q192 PolarHBondContact N-O 3.41Å; Q192-E194 VanDerWaalsContact CD-OE1 3.29Å; Q192-E194 HydrophobicContact CG-CG 4.19Å; Q192-E194 PolarHBondContact NE2-OE1 3.49Å
193	I	94.6	Very high	87.5	Confident	18 Å²	18	75.3 Å²	75.3	9%	0.092	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.3	-178.2	-57.3	179.8	0	0	0	107.9	V140 C162 L164 L176 I179 T180 V191	V140-I193 HydrophobicContact CG2-CD1 4.31Å; C162-I193 WeakPolarHBondContact O-CA 2.99Å; L164-I193 HydrophobicContact CD1-CG2 3.36Å; L164-I193 HydrophobicContact CD2-CG2 4.21Å; L164-I193 HydrophobicContact CG-CG2 3.5Å; L164-I193 VanDerWaalsContact CG-CG2 3.5Å; L176-I193 HydrophobicContact CD2-CB 3.92Å; L176-I193 HydrophobicContact CD2-CD1 4.17Å; L176-I193 HydrophobicContact CD2-CG2 3.56Å; I179-I193 HydrophobicContact CB-CD1 4.4Å; I179-I193 HydrophobicContact CG2-CD1 3.68Å; T180-I193 HydrophobicContact CG2-CD1 4.01Å; T180-I193 HydrophobicContact CG2-CG1 3.99Å; V191-I193 HydrophobicContact CG1-CD1 4.44Å; V191-I193 HydrophobicContact CG1-CG1 3.76Å
194	E	91.5	Very high	87	Confident	63 Å²	63	79.5 Å²	79.5	29%	0.294	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.7	-176.5	-66.4	172.2	177.4	0	0	109.9	C162 H163 L164 Q192	C162-E194 PolarHBondContact O-N 3.38Å; H163-E194 VanDerWaalsContact CA-O 3.29Å; H163-E194 WeakPolarHBondContact CA-O 3.23Å; H163-E194 IonicContact CE1-OE2 2.86Å; L164-E194 PolarHBondContact N-O 3.15Å; Q192-E194 VanDerWaalsContact CD-OE1 3.29Å; Q192-E194 HydrophobicContact CG-CG 4.19Å; Q192-E194 PolarHBondContact NE2-OE1 3.49Å
195	F	90.4	Very high	86.5	Confident	30 Å²	30	77.6 Å²	77.6	13%	0.132	41%	0.409	C	S	.	.			trans	-100.7	125.7	167.6	-62.5	-78.8	0	0	0	107.8	L164 R169 E173 L176	L164-F195 HydrophobicContact CB-CD1 4.01Å; L164-F195 HydrophobicContact CB-CE1 3.78Å; L164-F195 HydrophobicContact CD1-CE1 4.32Å; L164-F195 HydrophobicContact CD1-CZ 4.48Å; R169-F195 HydrophobicContact CB-CD1 4.15Å; R169-F195 HydrophobicContact CB-CE1 3.9Å; R169-F195 HydrophobicContact CB-CE2 4.45Å; R169-F195 HydrophobicContact CB-CZ 4.07Å; R169-F195 HydrophobicContact CG-CD1 4.39Å; R169-F195 HydrophobicContact CG-CD2 4.07Å; R169-F195 HydrophobicContact CG-CE1 4.21Å; R169-F195 HydrophobicContact CG-CE2 3.87Å; R169-F195 HydrophobicContact CG-CG 4.32Å; R169-F195 HydrophobicContact CG-CZ 3.96Å; E173-F195 HydrophobicContact CB-CE2 4.25Å; E173-F195 HydrophobicContact CG-CE2 4.49Å; L176-F195 HydrophobicContact CD1-CE2 4Å
196	P	86.8	Confident	86	Confident	13 Å²	13	76.2 Å²	76.2	8%	0.084	41%	0.408	C	S	.	.			trans	-70.1	135.5	175.9	29.6	-30.7	0	0	0	109.7	H163 L164 V166 W198	H163-P196 HydrophobicContact CB-CG 4.41Å; L164-P196 WeakPolarHBondContact O-CD 3.2Å; V166-P196 HydrophobicContact CG2-CG 4.25Å; V166-P196 WeakPolarHBondContact CG2-O 3.25Å; P196-W198 VanDerWaalsContact C-N 3.28Å; P196-W198 HydrophobicContact CB-CD2 3.98Å; P196-W198 HydrophobicContact CB-CE3 4.25Å; P196-W198 HydrophobicContact CB-CH2 4.1Å; P196-W198 HydrophobicContact CB-CZ2 3.8Å; P196-W198 HydrophobicContact CB-CZ3 4.31Å
197	D	79.2	Confident	85.4	Confident	152 Å²	152	77.6 Å²	77.6	81%	0.813	42%	0.416	S	S	*	.	S	Bend	trans	-78.3	-16.5	176	-65.5	-41	0	0	0	112.5
198	W	72.2	Confident	84.7	Confident	144 Å²	144	82 Å²	82	55%	0.545	44%	0.438	S	S	.	.			trans	-90.3	129.1	178.3	62.6	85.5	0	0	0	110.8	P196	P196-W198 VanDerWaalsContact C-N 3.28Å; P196-W198 HydrophobicContact CB-CD2 3.98Å; P196-W198 HydrophobicContact CB-CE3 4.25Å; P196-W198 HydrophobicContact CB-CH2 4.1Å; P196-W198 HydrophobicContact CB-CZ2 3.8Å; P196-W198 HydrophobicContact CB-CZ3 4.31Å
199	V	62.1	Low	83.9	Confident	131 Å²	131	83.4 Å²	83.4	79%	0.794	42%	0.419	S	S	*	.			trans	-94.9	125.3	162.8	-174.4	0	0	0	0	105.9
200	L	49.8	Very low	82.9	Confident	227 Å²	227	84.8 Å²	84.8	100%	1.188	43%	0.43	S	S	*	.			trans	-71.9	0	167.7	-79.2	171.7	0	0	0	110.2

Retrieved 200 of 200 residues in 393.3 ms (Link to these results)

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