A0A077ZB70_TRITR Loading...

Wilms tumor protein 1 interacting protein

AlphaFold DB , UniProt , Accession A0A077ZB70, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 567 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	47.8	Very low	62.9	Low	148 Å²	148	105.7 Å²	105.7	73%	0.729	53%	0.53	S	S	*	.				0	107.2	0	-58.5	-169.8	79.6	0	0	108	E5 H9	M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CB-CB 4.27Å; M1-E5 HydrophobicContact CE-CB 4.2Å; M1-H9 HydrophobicContact CE-CB 3.98Å
2	D	59.9	Low	63.8	Low	99 Å²	99	106.1 Å²	106.1	53%	0.529	54%	0.535	S	S	.	.			trans	-78.4	174.1	168.6	-70.2	-63.9	0	0	0	110.4	E4 E5 L6 K101	D2-E4 PolarHBondContact O-N 3.44Å; D2-E5 PolarHBondContact O-N 3.36Å; D2-L6 PolarHBondContact O-N 3.45Å; D2-K101 IonicContact OD1-NZ 3.21Å
3	A	60	Low	64.5	Low	65 Å²	65	99.2 Å²	99.2	54%	0.537	50%	0.501	S	S	.	.	H	α-helix	trans	-59.2	-45.1	-174.7	0	0	0	0	0	112.3	E5 L6 I7	A3-E5 VanDerWaalsContact C-N 3.3Å; A3-E5 PolarHBondContact O-N 2.66Å; A3-L6 PolarHBondContact O-N 3.28Å; A3-I7 WeakPolarHBondContact O-CG1 3.4Å; A3-I7 PolarHBondContact O-N 2.56Å
4	E	57.2	Low	65.1	Low	132 Å²	132	99.5 Å²	99.5	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-54.5	-40.9	171.6	-88.7	73.4	-168.2	0	0	113.4	D2 K8	D2-E4 PolarHBondContact O-N 3.44Å; E4-K8 WeakPolarHBondContact O-CB 3.48Å; E4-K8 VanDerWaalsContact O-CG 3.23Å; E4-K8 WeakPolarHBondContact O-CG 3.49Å; E4-K8 PolarHBondContact O-N 3.08Å
5	E	57.7	Low	65.6	Low	91 Å²	91	99.1 Å²	99.1	43%	0.425	49%	0.494	S	S	.	.	H	α-helix	trans	-70.2	-38.7	178.6	-77.9	-157.7	138.7	0	0	112.1	M1 D2 A3 I7 K8 H9	M1-E5 WeakPolarHBondContact CA-OE2 3.37Å; M1-E5 HydrophobicContact CB-CB 4.27Å; M1-E5 HydrophobicContact CE-CB 4.2Å; D2-E5 PolarHBondContact O-N 3.36Å; A3-E5 VanDerWaalsContact C-N 3.3Å; A3-E5 PolarHBondContact O-N 2.66Å; E5-I7 VanDerWaalsContact C-N 3.34Å; E5-K8 PolarHBondContact O-N 3.09Å; E5-K8 VanDerWaalsContact O-N 3.16Å; E5-H9 PolarHBondContact O-CD2 3.46Å; E5-H9 PolarHBondContact O-N 2.96Å
6	L	63.1	Low	66	Low	103 Å²	103	97.6 Å²	97.6	54%	0.539	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-42.2	177.5	-163.5	70.6	0	0	0	110.7	D2 A3 K8 H9 D10	D2-L6 PolarHBondContact O-N 3.45Å; A3-L6 PolarHBondContact O-N 3.28Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.31Å; L6-H9 PolarHBondContact O-N 3.38Å; L6-D10 VanDerWaalsContact O-CB 3.25Å; L6-D10 WeakPolarHBondContact O-CB 3.5Å; L6-D10 PolarHBondContact O-N 3.03Å
7	I	60.4	Low	66.2	Low	75 Å²	75	96.2 Å²	96.2	39%	0.385	48%	0.475	S	S	.	.	H	α-helix	trans	-65.3	-34.5	173	-64	163.4	0	0	0	111.2	A3 E5 T13 K14 L17	A3-I7 WeakPolarHBondContact O-CG1 3.4Å; A3-I7 PolarHBondContact O-N 2.56Å; E5-I7 VanDerWaalsContact C-N 3.34Å; I7-T13 HydrophobicContact CG1-CG2 4.15Å; I7-K14 VanDerWaalsContact O-CE 3.28Å; I7-K14 WeakPolarHBondContact O-CE 3.28Å; I7-K14 VanDerWaalsContact O-CG 3.23Å; I7-K14 WeakPolarHBondContact O-CG 3.19Å; I7-L17 HydrophobicContact CG2-CD1 3.78Å
8	K	64.5	Low	66.3	Low	138 Å²	138	93.8 Å²	93.8	60%	0.6	47%	0.473	S	S	*	.	H	α-helix	trans	-73.1	-28.2	177.2	-79	175.2	-176.4	-179.6	0	114	E4 E5 L6 K14	E4-K8 WeakPolarHBondContact O-CB 3.48Å; E4-K8 VanDerWaalsContact O-CG 3.23Å; E4-K8 WeakPolarHBondContact O-CG 3.49Å; E4-K8 PolarHBondContact O-N 3.08Å; E5-K8 PolarHBondContact O-N 3.09Å; E5-K8 VanDerWaalsContact O-N 3.16Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.31Å; K8-K14 WeakPolarHBondContact O-CE 3.42Å; K8-K14 PolarHBondContact O-NZ 3.5Å
9	H	67	Low	66.5	Low	142 Å²	142	92.8 Å²	92.8	66%	0.657	47%	0.47	S	S	*	.	H	α-helix	trans	-103.3	-27	-176.3	-81.6	-79.4	0	0	0	115.3	M1 E5 L6 H11	M1-H9 HydrophobicContact CE-CB 3.98Å; E5-H9 PolarHBondContact O-CD2 3.46Å; E5-H9 PolarHBondContact O-N 2.96Å; L6-H9 PolarHBondContact O-N 3.38Å; H9-H11 PolarHBondContact O-N 2.97Å
10	D	79	Confident	66.5	Low	34 Å²	34	91.7 Å²	91.7	18%	0.182	46%	0.464	C	S	.	.			trans	-84.3	100.3	179.9	-167	51.8	0	0	0	110.5	L6 D12 T13 K14 R113	L6-D10 VanDerWaalsContact O-CB 3.25Å; L6-D10 WeakPolarHBondContact O-CB 3.5Å; L6-D10 PolarHBondContact O-N 3.03Å; D10-D12 PolarHBondContact O-N 3.46Å; D10-T13 PolarHBondContact O-N 3.2Å; D10-T13 WeakPolarHBondContact OD2-CB 3.4Å; D10-T13 PolarHBondContact OD2-N 3.24Å; D10-T13 PolarHBondContact OD2-OG1 2.92Å; D10-K14 PolarHBondContact O-N 2.95Å; D10-R113 IonicContact OD2-NH1 3.6Å
11	H	75.1	Confident	66.4	Low	136 Å²	136	91 Å²	91	63%	0.63	46%	0.459	S	S	*	.	H	α-helix	trans	-57.4	-37.5	-179.4	-169.5	-16.3	0	0	0	111.7	H9 T13 K14 Q15	H9-H11 PolarHBondContact O-N 2.97Å; H11-T13 VanDerWaalsContact C-N 3.33Å; H11-T13 PolarHBondContact O-N 2.89Å; H11-K14 PolarHBondContact O-N 3.15Å; H11-Q15 WeakPolarHBondContact O-CB 3.23Å; H11-Q15 PolarHBondContact O-N 3.31Å
12	D	73.7	Confident	67.5	Low	110 Å²	110	86.9 Å²	86.9	59%	0.588	45%	0.445	S	S	*	.	H	α-helix	trans	-58.6	-44	175.5	-62.8	-8.1	0	0	0	111.2	D10 Q15 W16	D10-D12 PolarHBondContact O-N 3.46Å; D12-Q15 PolarHBondContact O-N 2.87Å; D12-W16 VanDerWaalsContact O-CB 3.27Å; D12-W16 WeakPolarHBondContact O-CB 3.03Å; D12-W16 PolarHBondContact O-N 2.74Å
13	T	73.5	Confident	67.3	Low	16 Å²	16	88.4 Å²	88.4	10%	0.098	45%	0.447	C	S	.	.	H	α-helix	trans	-67.6	-39.1	176.5	-63.1	0	0	0	0	112.1	I7 D10 H11 L17 R113	I7-T13 HydrophobicContact CG1-CG2 4.15Å; D10-T13 PolarHBondContact O-N 3.2Å; D10-T13 WeakPolarHBondContact OD2-CB 3.4Å; D10-T13 PolarHBondContact OD2-N 3.24Å; D10-T13 PolarHBondContact OD2-OG1 2.92Å; H11-T13 VanDerWaalsContact C-N 3.33Å; H11-T13 PolarHBondContact O-N 2.89Å; T13-L17 HydrophobicContact CG2-CD1 4.16Å; T13-L17 WeakPolarHBondContact O-CB 3.49Å; T13-L17 WeakPolarHBondContact O-CG 3.27Å; T13-L17 PolarHBondContact O-N 3.43Å; T13-R113 PolarHBondContact OG1-NH1 2.86Å
14	K	72.9	Confident	67.1	Low	104 Å²	104	94.2 Å²	94.2	45%	0.452	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-44.9	174.1	-73.1	-170.2	-176.1	166.2	0	112.5	I7 K8 D10 H11 W16 L17 A18	I7-K14 VanDerWaalsContact O-CE 3.28Å; I7-K14 WeakPolarHBondContact O-CE 3.28Å; I7-K14 VanDerWaalsContact O-CG 3.23Å; I7-K14 WeakPolarHBondContact O-CG 3.19Å; K8-K14 WeakPolarHBondContact O-CE 3.42Å; K8-K14 PolarHBondContact O-NZ 3.5Å; D10-K14 PolarHBondContact O-N 2.95Å; H11-K14 PolarHBondContact O-N 3.15Å; K14-W16 VanDerWaalsContact C-N 3.35Å; K14-L17 PolarHBondContact O-N 2.93Å; K14-A18 WeakPolarHBondContact O-CB 3.22Å; K14-A18 PolarHBondContact O-N 3.06Å
15	Q	72.1	Confident	66.7	Low	93 Å²	93	94.5 Å²	94.5	44%	0.435	46%	0.456	S	S	.	.	H	α-helix	trans	-64.1	-44.4	179.8	-170.5	60.5	49.6	0	0	110.2	H11 D12 L17 A18 D19	H11-Q15 WeakPolarHBondContact O-CB 3.23Å; H11-Q15 PolarHBondContact O-N 3.31Å; D12-Q15 PolarHBondContact O-N 2.87Å; Q15-L17 VanDerWaalsContact C-N 3.33Å; Q15-L17 PolarHBondContact O-N 2.94Å; Q15-A18 PolarHBondContact O-N 3.05Å; Q15-D19 PolarHBondContact NE2-OD1 2.79Å; Q15-D19 WeakPolarHBondContact O-CB 3.25Å; Q15-D19 VanDerWaalsContact O-CG 3.23Å; Q15-D19 PolarHBondContact O-N 2.98Å
16	W	72.9	Confident	65.8	Low	76 Å²	76	95.5 Å²	95.5	29%	0.288	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-39.3	175.5	-177.3	79.8	0	0	0	113.1	D12 K14 I20 I116	D12-W16 VanDerWaalsContact O-CB 3.27Å; D12-W16 WeakPolarHBondContact O-CB 3.03Å; D12-W16 PolarHBondContact O-N 2.74Å; K14-W16 VanDerWaalsContact C-N 3.35Å; W16-I20 HydrophobicContact CD2-CD1 3.76Å; W16-I20 HydrophobicContact CE3-CD1 3.78Å; W16-I20 HydrophobicContact CH2-CD1 3.64Å; W16-I20 HydrophobicContact CZ2-CD1 3.62Å; W16-I20 HydrophobicContact CZ3-CD1 3.71Å; W16-I20 VanDerWaalsContact O-CG1 3.29Å; W16-I20 WeakPolarHBondContact O-CG1 3.34Å; W16-I20 PolarHBondContact O-N 2.98Å; W16-I116 HydrophobicContact CZ2-CG2 4.16Å
17	L	68.3	Low	64.8	Low	73 Å²	73	95.3 Å²	95.3	38%	0.382	48%	0.476	S	S	.	.	H	α-helix	trans	-69.2	-39.1	173.9	-72.8	171.5	0	0	0	112.8	I7 T13 K14 Q15 I20 E21	I7-L17 HydrophobicContact CG2-CD1 3.78Å; T13-L17 HydrophobicContact CG2-CD1 4.16Å; T13-L17 WeakPolarHBondContact O-CB 3.49Å; T13-L17 WeakPolarHBondContact O-CG 3.27Å; T13-L17 PolarHBondContact O-N 3.43Å; K14-L17 PolarHBondContact O-N 2.93Å; Q15-L17 VanDerWaalsContact C-N 3.33Å; Q15-L17 PolarHBondContact O-N 2.94Å; L17-I20 PolarHBondContact O-N 3.39Å; L17-E21 PolarHBondContact O-N 3.16Å
18	A	69.2	Low	63.9	Low	54 Å²	54	96.3 Å²	96.3	45%	0.446	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-40.8	175.9	0	0	0	0	0	111.8	K14 Q15 I20 E21 S22	K14-A18 WeakPolarHBondContact O-CB 3.22Å; K14-A18 PolarHBondContact O-N 3.06Å; Q15-A18 PolarHBondContact O-N 3.05Å; A18-I20 VanDerWaalsContact C-N 3.33Å; A18-I20 PolarHBondContact O-N 3.28Å; A18-E21 PolarHBondContact O-N 2.93Å; A18-S22 PolarHBondContact O-N 3.48Å
19	D	69.3	Low	62.6	Low	75 Å²	75	95.7 Å²	95.7	40%	0.401	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-42.5	173.4	-70.5	3.5	0	0	0	110.6	Q15 S22 F23	Q15-D19 PolarHBondContact NE2-OD1 2.79Å; Q15-D19 WeakPolarHBondContact O-CB 3.25Å; Q15-D19 VanDerWaalsContact O-CG 3.23Å; Q15-D19 PolarHBondContact O-N 2.98Å; D19-S22 WeakPolarHBondContact O-CB 3.41Å; D19-S22 PolarHBondContact O-N 3.42Å; D19-S22 PolarHBondContact O-OG 2.87Å; D19-F23 WeakPolarHBondContact O-CD2 3.47Å; D19-F23 VanDerWaalsContact O-CE2 3.29Å; D19-F23 WeakPolarHBondContact O-CE2 3.21Å
20	I	65.8	Low	61.5	Low	70 Å²	70	97.2 Å²	97.2	36%	0.359	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-46.2	174.1	-72.8	166.4	0	0	0	111.7	W16 L17 A18 S22 F23	W16-I20 HydrophobicContact CD2-CD1 3.76Å; W16-I20 HydrophobicContact CE3-CD1 3.78Å; W16-I20 HydrophobicContact CH2-CD1 3.64Å; W16-I20 HydrophobicContact CZ2-CD1 3.62Å; W16-I20 HydrophobicContact CZ3-CD1 3.71Å; W16-I20 VanDerWaalsContact O-CG1 3.29Å; W16-I20 WeakPolarHBondContact O-CG1 3.34Å; W16-I20 PolarHBondContact O-N 2.98Å; L17-I20 PolarHBondContact O-N 3.39Å; A18-I20 VanDerWaalsContact C-N 3.33Å; A18-I20 PolarHBondContact O-N 3.28Å; I20-S22 VanDerWaalsContact C-N 3.27Å; I20-S22 PolarHBondContact O-N 2.81Å; I20-F23 PolarHBondContact O-N 3.22Å
21	E	65.2	Low	59.8	Low	76 Å²	76	102.7 Å²	102.7	36%	0.355	52%	0.515	S	S	.	.	H	α-helix	trans	-67.9	-28.5	-179.4	-166.2	57.6	-147.7	0	0	112.1	L17 A18 F23 R24	L17-E21 PolarHBondContact O-N 3.16Å; A18-E21 PolarHBondContact O-N 2.93Å; E21-F23 PolarHBondContact O-N 3.44Å; E21-R24 WeakPolarHBondContact O-CB 3.38Å; E21-R24 PolarHBondContact O-N 3.01Å; E21-R24 WeakPolarHBondContact OE1-CD 3.23Å; E21-R24 IonicContact OE1-NH1 2.91Å; E21-R24 IonicContact OE2-CZ 2.62Å; E21-R24 IonicContact OE2-NH1 3.97Å; E21-R24 PolarHBondContact OE2-NH1 3.2Å
22	S	69.9	Low	58	Low	62 Å²	62	100.5 Å²	100.5	43%	0.434	51%	0.507	S	S	.	.	H	α-helix	trans	-59.1	-29	175	81.8	0	0	0	0	113.5	A18 D19 I20 R24 Q25	A18-S22 PolarHBondContact O-N 3.48Å; D19-S22 WeakPolarHBondContact O-CB 3.41Å; D19-S22 PolarHBondContact O-N 3.42Å; D19-S22 PolarHBondContact O-OG 2.87Å; I20-S22 VanDerWaalsContact C-N 3.27Å; I20-S22 PolarHBondContact O-N 2.81Å; S22-R24 VanDerWaalsContact C-N 3.26Å; S22-R24 PolarHBondContact O-N 2.96Å; S22-Q25 PolarHBondContact O-N 3.47Å
23	F	56.9	Low	56.3	Low	132 Å²	132	100 Å²	100	58%	0.579	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-14	175.9	-65.8	-79.1	0	0	0	114.1	D19 I20 E21	D19-F23 WeakPolarHBondContact O-CD2 3.47Å; D19-F23 VanDerWaalsContact O-CE2 3.29Å; D19-F23 WeakPolarHBondContact O-CE2 3.21Å; I20-F23 PolarHBondContact O-N 3.22Å; E21-F23 PolarHBondContact O-N 3.44Å
24	R	56.4	Low	55	Low	186 Å²	186	103.6 Å²	103.6	70%	0.702	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-16.8	172.1	-69.5	-178	174.6	146.4	-6.1	113	E21 S22	E21-R24 WeakPolarHBondContact O-CB 3.38Å; E21-R24 PolarHBondContact O-N 3.01Å; E21-R24 WeakPolarHBondContact OE1-CD 3.23Å; E21-R24 IonicContact OE1-NH1 2.91Å; E21-R24 IonicContact OE2-CZ 2.62Å; E21-R24 IonicContact OE2-NH1 3.97Å; E21-R24 PolarHBondContact OE2-NH1 3.2Å; S22-R24 VanDerWaalsContact C-N 3.26Å; S22-R24 PolarHBondContact O-N 2.96Å
25	Q	47.6	Very low	53.8	Low	138 Å²	138	104.1 Å²	104.1	65%	0.645	53%	0.529	S	S	*	.	S	Bend	trans	-79.9	132.2	179.2	-61.4	-170.6	-4.9	0	0	109.8	S22	S22-Q25 PolarHBondContact O-N 3.47Å
26	P	39.8	Very low	52.4	Low	112 Å²	112	106.3 Å²	106.3	73%	0.727	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-62.5	147.9	174.1	27	-33.7	0	0	0	110.3
27	P	42.3	Very low	50.8	Low	99 Å²	99	110.6 Å²	110.6	64%	0.643	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-59.9	142.2	-176.8	24.2	-33.7	0	0	0	111.3	M29	P27-M29 PolarHBondContact O-N 2.81Å
28	P	40.8	Very low	49.5	Very low	96 Å²	96	113.1 Å²	113.1	62%	0.623	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-63.7	121.9	-175.2	24.1	-33.6	0	0	0	111.4	K30 K31	P28-K30 PolarHBondContact O-N 2.91Å; P28-K31 PolarHBondContact O-N 2.84Å
29	M	37.2	Very low	48.3	Very low	126 Å²	126	115.1 Å²	115.1	62%	0.621	58%	0.578	S	S	*	*	H	α-helix	trans	-47.6	-28.4	-173.1	-80.6	-69.5	-66.8	0	0	115.8	P27 K31 L32 M33	P27-M29 PolarHBondContact O-N 2.81Å; M29-K31 PolarHBondContact O-N 2.89Å; M29-L32 PolarHBondContact O-N 2.66Å; M29-L32 HydrophobicContact SD-CD2 4.2Å; M29-M33 PolarHBondContact O-N 3.21Å
30	K	43.8	Very low	46.8	Very low	173 Å²	173	115.8 Å²	115.8	75%	0.752	59%	0.593	S	S	*	*	H	α-helix	trans	-57.9	-46.8	177.5	-74	-172.5	174.8	-177.6	0	112.1	P28 L32 M33 D34	P28-K30 PolarHBondContact O-N 2.91Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 3.4Å; K30-M33 PolarHBondContact O-N 2.85Å; K30-M33 VanDerWaalsContact O-N 3.12Å; K30-D34 VanDerWaalsContact O-CG 3.31Å; K30-D34 PolarHBondContact O-N 3.26Å; K30-D34 VanDerWaalsContact O-OD2 3.13Å
31	K	44.3	Very low	45.6	Very low	149 Å²	149	117.5 Å²	117.5	65%	0.648	61%	0.612	S	S	*	*	H	α-helix	trans	-63.1	-38.3	177.2	-80	-166.6	168.4	-167.2	0	112.6	P28 M29 M33 D34 D35	P28-K31 PolarHBondContact O-N 2.84Å; M29-K31 PolarHBondContact O-N 2.89Å; K31-M33 VanDerWaalsContact C-N 3.26Å; K31-M33 PolarHBondContact O-N 3.22Å; K31-D34 PolarHBondContact O-N 2.91Å; K31-D35 WeakPolarHBondContact O-CB 3.36Å; K31-D35 VanDerWaalsContact O-CG 3.32Å; K31-D35 PolarHBondContact O-N 2.87Å
32	L	35.7	Very low	44.1	Very low	90 Å²	90	120.3 Å²	120.3	47%	0.471	63%	0.628	S	S	.	*	H	α-helix	trans	-63.7	-33.6	177	-154.1	79	0	0	0	112	M29 K30 M36	M29-L32 PolarHBondContact O-N 2.66Å; M29-L32 HydrophobicContact SD-CD2 4.2Å; K30-L32 VanDerWaalsContact C-N 3.32Å; K30-L32 PolarHBondContact O-N 3.4Å; L32-M36 WeakPolarHBondContact O-CB 3.23Å; L32-M36 VanDerWaalsContact O-CG 3.3Å; L32-M36 WeakPolarHBondContact O-CG 3.33Å; L32-M36 PolarHBondContact O-N 3.45Å
33	M	39.4	Very low	42.4	Very low	99 Å²	99	125.3 Å²	125.3	49%	0.488	65%	0.65	S	S	.	*	H	α-helix	trans	-77	-32.4	175.5	-71.4	-178.4	65.3	0	0	113.3	M29 K30 K31 R37	M29-M33 PolarHBondContact O-N 3.21Å; K30-M33 PolarHBondContact O-N 2.85Å; K30-M33 VanDerWaalsContact O-N 3.12Å; K31-M33 VanDerWaalsContact C-N 3.26Å; K31-M33 PolarHBondContact O-N 3.22Å; M33-R37 PolarHBondContact O-N 3.2Å
34	D	44.5	Very low	41.3	Very low	92 Å²	92	125.4 Å²	125.4	49%	0.492	66%	0.661	S	S	.	*	H	α-helix	trans	-71.3	-45.2	175.4	-62.7	-36.4	0	0	0	110.5	K30 K31 M36 R37	K30-D34 VanDerWaalsContact O-CG 3.31Å; K30-D34 PolarHBondContact O-N 3.26Å; K30-D34 VanDerWaalsContact O-OD2 3.13Å; K31-D34 PolarHBondContact O-N 2.91Å; D34-M36 PolarHBondContact O-N 3.41Å; D34-R37 WeakPolarHBondContact O-CB 3.43Å; D34-R37 PolarHBondContact O-N 3Å
35	D	47.7	Very low	40.4	Very low	115 Å²	115	124.9 Å²	124.9	62%	0.615	67%	0.667	S	S	*	*	H	α-helix	trans	-61.4	-29.4	174	-69.2	-29.9	0	0	0	112.6	K31 R37 V39	K31-D35 WeakPolarHBondContact O-CB 3.36Å; K31-D35 VanDerWaalsContact O-CG 3.32Å; K31-D35 PolarHBondContact O-N 2.87Å; D35-R37 VanDerWaalsContact C-N 3.3Å; D35-V39 WeakPolarHBondContact O-CG2 3.33Å
36	M	42.8	Very low	39.9	Very low	140 Å²	140	123.4 Å²	123.4	69%	0.69	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-11.7	172.9	-78.8	-167.7	77.6	0	0	113.9	L32 D34	L32-M36 WeakPolarHBondContact O-CB 3.23Å; L32-M36 VanDerWaalsContact O-CG 3.3Å; L32-M36 WeakPolarHBondContact O-CG 3.33Å; L32-M36 PolarHBondContact O-N 3.45Å; D34-M36 PolarHBondContact O-N 3.41Å
37	R	40.7	Very low	39.9	Very low	165 Å²	165	127.9 Å²	127.9	62%	0.623	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-31	-175.9	-156.4	154.1	-99.4	161.5	-9.8	112.2	M33 D34 D35 V39 A40	M33-R37 PolarHBondContact O-N 3.2Å; D34-R37 WeakPolarHBondContact O-CB 3.43Å; D34-R37 PolarHBondContact O-N 3Å; D35-R37 VanDerWaalsContact C-N 3.3Å; R37-V39 VanDerWaalsContact C-N 3.27Å; R37-V39 PolarHBondContact O-N 2.92Å; R37-A40 WeakPolarHBondContact O-CB 3.43Å; R37-A40 PolarHBondContact O-N 3.34Å
38	D	40	Very low	39.9	Very low	126 Å²	126	128.2 Å²	128.2	67%	0.674	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-69	-21.9	172.2	-78.8	-18.7	0	0	0	113.5	A40 S41	D38-A40 PolarHBondContact O-N 3.06Å; D38-S41 PolarHBondContact O-N 3.18Å
39	V	44	Very low	40.3	Very low	97 Å²	97	130.1 Å²	130.1	59%	0.588	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-68.9	-17.1	175.7	-147.3	0	0	0	0	112.4	D35 R37 S41	D35-V39 WeakPolarHBondContact O-CG2 3.33Å; R37-V39 VanDerWaalsContact C-N 3.27Å; R37-V39 PolarHBondContact O-N 2.92Å; V39-S41 VanDerWaalsContact C-N 3.28Å; V39-S41 PolarHBondContact O-N 2.9Å
40	A	37.9	Very low	40.7	Very low	89 Å²	89	132 Å²	132	74%	0.736	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-79.2	-7.6	179.6	0	0	0	0	0	114	R37 D38	R37-A40 WeakPolarHBondContact O-CB 3.43Å; R37-A40 PolarHBondContact O-N 3.34Å; D38-A40 PolarHBondContact O-N 3.06Å
41	S	39.8	Very low	41.1	Very low	106 Å²	106	128.5 Å²	128.5	74%	0.741	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-110.9	14.2	-175.8	-60.5	0	0	0	0	113.9	D38 V39	D38-S41 PolarHBondContact O-N 3.18Å; V39-S41 VanDerWaalsContact C-N 3.28Å; V39-S41 PolarHBondContact O-N 2.9Å
42	L	35.3	Very low	42	Very low	134 Å²	134	125.2 Å²	125.2	70%	0.702	67%	0.665	S	S	*	*	S	Bend	trans	-102.2	121.2	176.1	-71.9	169.9	0	0	0	110.7	V44	L42-V44 PolarHBondContact O-N 3.38Å
43	D	33.2	Very low	42.9	Very low	168 Å²	168	127.2 Å²	127.2	90%	0.898	67%	0.671	S	S	*	*			trans	-57.8	132.1	-171.3	-91.1	-51.3	0	0	0	113.9	H45	D43-H45 PolarHBondContact O-N 2.82Å
44	V	34.7	Very low	43.4	Very low	133 Å²	133	126.8 Å²	126.8	81%	0.806	67%	0.67	S	S	*	*	S	Bend	trans	-77.5	84.2	-177.2	179.8	0	0	0	0	109.6	L42	L42-V44 PolarHBondContact O-N 3.38Å
45	H	36.7	Very low	43.8	Very low	176 Å²	176	124.7 Å²	124.7	82%	0.815	67%	0.665	S	S	*	*			trans	-173.8	79.9	152.2	-107.8	64.7	0	0	0	114.2	D43	D43-H45 PolarHBondContact O-N 2.82Å
46	S	37.4	Very low	44.1	Very low	106 Å²	106	124.4 Å²	124.4	74%	0.741	66%	0.658	S	S	*	*			trans	-167.8	146.7	148.3	-91.2	0	0	0	0	113	N48	S46-N48 PolarHBondContact O-N 3.31Å
47	K	40.6	Very low	44.3	Very low	206 Å²	206	121.7 Å²	121.7	90%	0.896	65%	0.646	S	S	*	*	S	Bend	trans	-79.9	28.4	-168.6	-70	-179	171.5	179.8	0	115.5
48	N	41.9	Very low	44.3	Very low	106 Å²	106	119.5 Å²	119.5	57%	0.567	64%	0.643	S	S	*	*			trans	-103.1	20.1	-172.5	-72.5	15.2	0	0	0	114.6	S46 D51 D52	S46-N48 PolarHBondContact O-N 3.31Å; N48-D51 PolarHBondContact O-N 3Å; N48-D52 WeakPolarHBondContact O-CB 3.32Å; N48-D52 PolarHBondContact O-N 3.07Å
49	I	48.1	Very low	44.7	Very low	137 Å²	137	122.2 Å²	122.2	70%	0.703	65%	0.649	S	S	*	*	H	α-helix	trans	-66.8	-41	-179.7	-63.6	173.8	0	0	0	111.4	F53	I49-F53 WeakPolarHBondContact O-CB 3.49Å; I49-F53 PolarHBondContact O-N 3.3Å
50	E	46.3	Very low	44.5	Very low	166 Å²	166	125.4 Å²	125.4	78%	0.776	66%	0.655	S	S	*	*	H	α-helix	trans	-69.1	-38.8	178	-66.2	-175.7	158.8	0	0	111.6	F53 L54	E50-F53 PolarHBondContact O-N 2.96Å; E50-L54 VanDerWaalsContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 3.1Å
51	D	51.4	Low	44.2	Very low	99 Å²	99	128.4 Å²	128.4	53%	0.529	65%	0.654	S	S	.	*	H	α-helix	trans	-68.8	-39.2	176.1	-72.2	-30.4	0	0	0	112.6	N48 L54 A55	N48-D51 PolarHBondContact O-N 3Å; D51-L54 PolarHBondContact O-N 2.91Å; D51-A55 WeakPolarHBondContact O-CB 3.42Å; D51-A55 PolarHBondContact O-N 3.41Å
52	D	63.9	Low	44	Very low	79 Å²	79	127.7 Å²	127.7	42%	0.422	64%	0.642	S	S	.	*	H	α-helix	trans	-66.1	-40.2	172.9	174.1	68	0	0	0	111.5	N48 A55 K56	N48-D52 WeakPolarHBondContact O-CB 3.32Å; N48-D52 PolarHBondContact O-N 3.07Å; D52-A55 PolarHBondContact O-N 3.49Å; D52-K56 VanDerWaalsContact O-CB 3.32Å; D52-K56 WeakPolarHBondContact O-CB 3.46Å; D52-K56 VanDerWaalsContact O-CG 3.3Å; D52-K56 WeakPolarHBondContact O-CG 3.33Å; D52-K56 PolarHBondContact O-N 3.06Å; D52-K56 WeakPolarHBondContact OD1-CE 3.48Å; D52-K56 IonicContact OD1-NZ 3.51Å; D52-K56 VanDerWaalsContact OD2-CE 3.24Å; D52-K56 WeakPolarHBondContact OD2-CE 3.48Å; D52-K56 IonicContact OD2-NZ 3.6Å; D52-K56 PolarHBondContact OD2-NZ 3.49Å
53	F	53.6	Low	44.1	Very low	133 Å²	133	124.7 Å²	124.7	58%	0.583	63%	0.631	S	S	*	*	H	α-helix	trans	-64.2	-42.2	174.4	-173.9	-104.8	0	0	0	111.9	I49 E50 K56 L57	I49-F53 WeakPolarHBondContact O-CB 3.49Å; I49-F53 PolarHBondContact O-N 3.3Å; E50-F53 PolarHBondContact O-N 2.96Å; F53-K56 PolarHBondContact O-N 3.18Å; F53-L57 HydrophobicContact CD1-CD1 3.87Å; F53-L57 HydrophobicContact CD1-CG 4.49Å; F53-L57 HydrophobicContact CE1-CD1 3.49Å; F53-L57 VanDerWaalsContact CE1-CD1 3.49Å; F53-L57 HydrophobicContact CE1-CG 4.19Å; F53-L57 HydrophobicContact CZ-CD1 4.11Å; F53-L57 HydrophobicContact CZ-CG 4.42Å; F53-L57 WeakPolarHBondContact O-CG 3.06Å; F53-L57 PolarHBondContact O-N 2.82Å
54	L	51.1	Low	44.4	Very low	90 Å²	90	125.5 Å²	125.5	47%	0.471	63%	0.63	S	S	.	*	H	α-helix	trans	-69.5	-38.5	177.4	-169.8	63.3	0	0	0	112	E50 D51 L57 Q58	E50-L54 VanDerWaalsContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 3.1Å; D51-L54 PolarHBondContact O-N 2.91Å; L54-L57 WeakPolarHBondContact O-CB 3.29Å; L54-L57 PolarHBondContact O-N 3.09Å; L54-Q58 WeakPolarHBondContact O-CG 3.1Å; L54-Q58 PolarHBondContact O-N 2.93Å
55	A	52.6	Low	44.6	Very low	48 Å²	48	124.4 Å²	124.4	40%	0.397	63%	0.628	S	S	.	*	H	α-helix	trans	-66.6	-36.5	173.3	0	0	0	0	0	112.1	D51 D52 Q58 K59	D51-A55 WeakPolarHBondContact O-CB 3.42Å; D51-A55 PolarHBondContact O-N 3.41Å; D52-A55 PolarHBondContact O-N 3.49Å; A55-Q58 PolarHBondContact O-N 3.27Å; A55-K59 PolarHBondContact O-N 3.48Å
56	K	55.1	Low	44.8	Very low	108 Å²	108	118.8 Å²	118.8	47%	0.47	60%	0.602	S	S	.	*	H	α-helix	trans	-63.8	-43.9	169.7	-79.4	167.1	178.8	164.3	0	111.2	D52 F53 Q58 K59 F60	D52-K56 VanDerWaalsContact O-CB 3.32Å; D52-K56 WeakPolarHBondContact O-CB 3.46Å; D52-K56 VanDerWaalsContact O-CG 3.3Å; D52-K56 WeakPolarHBondContact O-CG 3.33Å; D52-K56 PolarHBondContact O-N 3.06Å; D52-K56 WeakPolarHBondContact OD1-CE 3.48Å; D52-K56 IonicContact OD1-NZ 3.51Å; D52-K56 VanDerWaalsContact OD2-CE 3.24Å; D52-K56 WeakPolarHBondContact OD2-CE 3.48Å; D52-K56 IonicContact OD2-NZ 3.6Å; D52-K56 PolarHBondContact OD2-NZ 3.49Å; F53-K56 PolarHBondContact O-N 3.18Å; K56-Q58 PolarHBondContact O-N 3.06Å; K56-K59 WeakPolarHBondContact O-CB 3.25Å; K56-K59 PolarHBondContact O-N 2.98Å; K56-F60 WeakPolarHBondContact O-CD2 3.41Å
57	L	45.3	Very low	45	Very low	83 Å²	83	119.8 Å²	119.8	44%	0.435	61%	0.606	S	S	.	*	H	α-helix	trans	-61.2	-41.1	173.2	-77.9	173.6	0	0	0	112.7	F53 L54 K59 F60 Q61	F53-L57 HydrophobicContact CD1-CD1 3.87Å; F53-L57 HydrophobicContact CD1-CG 4.49Å; F53-L57 HydrophobicContact CE1-CD1 3.49Å; F53-L57 VanDerWaalsContact CE1-CD1 3.49Å; F53-L57 HydrophobicContact CE1-CG 4.19Å; F53-L57 HydrophobicContact CZ-CD1 4.11Å; F53-L57 HydrophobicContact CZ-CG 4.42Å; F53-L57 WeakPolarHBondContact O-CG 3.06Å; F53-L57 PolarHBondContact O-N 2.82Å; L54-L57 WeakPolarHBondContact O-CB 3.29Å; L54-L57 PolarHBondContact O-N 3.09Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.34Å; L57-F60 WeakPolarHBondContact O-CB 3.49Å; L57-F60 PolarHBondContact O-N 2.65Å; L57-Q61 PolarHBondContact O-N 3.2Å
58	Q	41.8	Very low	44.8	Very low	120 Å²	120	115.6 Å²	115.6	56%	0.561	59%	0.586	S	S	*	*	H	α-helix	trans	-66.4	-30.1	176.8	-76.4	-179.3	-10.3	0	0	112.8	L54 A55 K56 F60 Q61	L54-Q58 WeakPolarHBondContact O-CG 3.1Å; L54-Q58 PolarHBondContact O-N 2.93Å; A55-Q58 PolarHBondContact O-N 3.27Å; K56-Q58 PolarHBondContact O-N 3.06Å; Q58-F60 PolarHBondContact O-N 3.25Å; Q58-Q61 PolarHBondContact O-N 3.27Å
59	K	48.3	Very low	44.8	Very low	183 Å²	183	112.3 Å²	112.3	80%	0.796	57%	0.571	S	S	*	*	H	α-helix	trans	-63.2	-22.2	169.4	-76.6	176.9	177	174.7	0	113.8	A55 K56 L57	A55-K59 PolarHBondContact O-N 3.48Å; K56-K59 WeakPolarHBondContact O-CB 3.25Å; K56-K59 PolarHBondContact O-N 2.98Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.34Å
60	F	38.9	Very low	44.3	Very low	163 Å²	163	108.4 Å²	108.4	72%	0.715	56%	0.564	S	S	*	*	H	α-helix	trans	-84.8	-15.5	171.2	-65.1	-78.1	0	0	0	113.1	K56 L57 Q58 L62	K56-F60 WeakPolarHBondContact O-CD2 3.41Å; L57-F60 WeakPolarHBondContact O-CB 3.49Å; L57-F60 PolarHBondContact O-N 2.65Å; Q58-F60 PolarHBondContact O-N 3.25Å; F60-L62 PolarHBondContact O-N 3.37Å
61	Q	32	Very low	44.3	Very low	153 Å²	153	106.4 Å²	106.4	72%	0.715	56%	0.559	S	S	*	*	S	Bend	trans	-81.1	105.3	171.5	-65.8	-162.7	-15	0	0	109.5	L57 Q58 S63	L57-Q61 PolarHBondContact O-N 3.2Å; Q58-Q61 PolarHBondContact O-N 3.27Å; Q61-S63 PolarHBondContact O-N 3.4Å
62	L	36	Very low	43.7	Very low	91 Å²	91	107.6 Å²	107.6	48%	0.476	57%	0.565	S	S	.	*			trans	-54.3	128.8	174.9	-62.3	168.8	0	0	0	109.9	F60 H66 S69	F60-L62 PolarHBondContact O-N 3.37Å; L62-H66 HydrophobicContact CB-CB 4.1Å; L62-S69 PolarHBondContact O-OG 3.36Å
63	S	37.6	Very low	42.5	Very low	70 Å²	70	113 Å²	113	49%	0.49	58%	0.58	S	S	.	*			trans	-53.9	147.6	178	58.6	0	0	0	0	111.2	Q61 S65 H66 S69	Q61-S63 PolarHBondContact O-N 3.4Å; S63-S65 PolarHBondContact O-N 2.99Å; S63-S65 PolarHBondContact OG-OG 3.43Å; S63-H66 WeakPolarHBondContact O-CB 3.45Å; S63-H66 PolarHBondContact O-N 3.42Å; S63-S69 WeakPolarHBondContact O-CB 3.17Å; S63-S69 PolarHBondContact O-OG 2.85Å
64	E	39.6	Very low	42	Very low	186 Å²	186	110.5 Å²	110.5	87%	0.869	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-16.8	-177.4	-64.4	-174.3	143.6	0	0	114
65	S	37.9	Very low	41.3	Very low	109 Å²	109	111.7 Å²	111.7	76%	0.762	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-5.7	172.5	55.5	0	0	0	0	115.1	S63	S63-S65 PolarHBondContact O-N 2.99Å; S63-S65 PolarHBondContact OG-OG 3.43Å
66	H	40.9	Very low	40.9	Very low	58 Å²	58	112.7 Å²	112.7	27%	0.269	58%	0.579	S	S	.	*	S	Bend	trans	-79	136.4	-178.9	-169.8	-88.6	0	0	0	109.9	L62 S63 Y68 S69	L62-H66 HydrophobicContact CB-CB 4.1Å; S63-H66 WeakPolarHBondContact O-CB 3.45Å; S63-H66 PolarHBondContact O-N 3.42Å; H66-Y68 PolarHBondContact ND1-N 2.8Å; H66-Y68 PolarHBondContact O-N 2.75Å; H66-S69 WeakPolarHBondContact O-CB 3.47Å; H66-S69 PolarHBondContact O-N 3.39Å
67	P	41.6	Very low	40.3	Very low	127 Å²	127	109.4 Å²	109.4	83%	0.825	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	3.9	-174.9	26.2	-36.1	0	0	0	116.1
68	Y	37.6	Very low	40.1	Very low	119 Å²	119	112 Å²	112	47%	0.467	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.5	-4.9	171.2	-96.8	-96.3	0	0	0	113.3	H66 L119	H66-Y68 PolarHBondContact ND1-N 2.8Å; H66-Y68 PolarHBondContact O-N 2.75Å; Y68-L119 WeakPolarHBondContact CE2-O 3.36Å; Y68-L119 PolarHBondContact OH-O 2.89Å
69	S	41	Very low	40.1	Very low	37 Å²	37	112.3 Å²	112.3	26%	0.259	59%	0.585	S	S	.	*	S	Bend	trans	-100.5	121.9	176.7	-160.8	0	0	0	0	108.6	L62 S63 H66	L62-S69 PolarHBondContact O-OG 3.36Å; S63-S69 WeakPolarHBondContact O-CB 3.17Å; S63-S69 PolarHBondContact O-OG 2.85Å; H66-S69 WeakPolarHBondContact O-CB 3.47Å; H66-S69 PolarHBondContact O-N 3.39Å
70	G	38.8	Very low	40	Very low	54 Å²	54	110.1 Å²	110.1	56%	0.557	58%	0.581	S	S	*	*	S	Bend	trans	92	112.6	176.2	0	0	0	0	0	115.8	D72	G70-D72 VanDerWaalsContact C-N 3.29Å; G70-D72 PolarHBondContact O-N 2.81Å
71	N	45	Very low	40.1	Very low	125 Å²	125	105.6 Å²	105.6	67%	0.668	57%	0.574	S	S	*	*	S	Bend	trans	38.8	-34.2	146.9	-63.9	-29.6	0	0	0	123.7	R73 V74 Q75	N71-R73 PolarHBondContact O-N 3.5Å; N71-R73 VanDerWaalsContact O-N 3.15Å; N71-V74 CarbonylContact O-C 3.56Å; N71-V74 WeakPolarHBondContact O-CA 3.44Å; N71-V74 WeakPolarHBondContact O-CB 3.44Å; N71-V74 PolarHBondContact O-N 2.97Å; N71-Q75 PolarHBondContact O-N 2.7Å
72	D	38.9	Very low	40.4	Very low	124 Å²	124	103.7 Å²	103.7	66%	0.663	57%	0.573	S	S	*	*	H	α-helix	trans	-61	-30.6	-174.3	-79.1	-24.9	0	0	0	112.9	G70 V74 Q75 T76	G70-D72 VanDerWaalsContact C-N 3.29Å; G70-D72 PolarHBondContact O-N 2.81Å; D72-V74 VanDerWaalsContact C-N 3.34Å; D72-Q75 PolarHBondContact O-N 2.9Å; D72-T76 WeakPolarHBondContact O-CB 3.36Å; D72-T76 WeakPolarHBondContact O-CG2 3.34Å; D72-T76 PolarHBondContact O-N 3.17Å; D72-T76 PolarHBondContact O-OG1 3.05Å
73	R	38.9	Very low	40.5	Very low	193 Å²	193	105.3 Å²	105.3	73%	0.728	59%	0.587	S	S	*	*	H	α-helix	trans	-70.7	-27.9	172.8	-139.9	179.4	92.4	148.7	4.9	113.5	N71 T76 G77	N71-R73 PolarHBondContact O-N 3.5Å; N71-R73 VanDerWaalsContact O-N 3.15Å; R73-T76 WeakPolarHBondContact CA-OG1 3.46Å; R73-T76 PolarHBondContact O-OG1 3.21Å; R73-G77 PolarHBondContact O-N 2.83Å; R73-G77 VanDerWaalsContact O-N 3.1Å
74	V	42.8	Very low	40.4	Very low	80 Å²	80	104.5 Å²	104.5	49%	0.485	58%	0.584	S	S	.	*	H	α-helix	trans	-76.6	-36.7	172.2	-177.7	0	0	0	0	109.9	N71 D72 K78	N71-V74 CarbonylContact O-C 3.56Å; N71-V74 WeakPolarHBondContact O-CA 3.44Å; N71-V74 WeakPolarHBondContact O-CB 3.44Å; N71-V74 PolarHBondContact O-N 2.97Å; D72-V74 VanDerWaalsContact C-N 3.34Å; V74-K78 HydrophobicContact CG1-CD 4.22Å; V74-K78 WeakPolarHBondContact O-CB 3.34Å; V74-K78 VanDerWaalsContact O-CG 3.24Å; V74-K78 WeakPolarHBondContact O-CG 3.09Å; V74-K78 PolarHBondContact O-N 2.85Å
75	Q	38	Very low	40.1	Very low	115 Å²	115	105 Å²	105	54%	0.537	58%	0.583	S	S	.	*	H	α-helix	trans	-69.1	-48.2	178.3	-141.4	109.8	-19.3	0	0	111.8	N71 D72 K78 Q79	N71-Q75 PolarHBondContact O-N 2.7Å; D72-Q75 PolarHBondContact O-N 2.9Å; Q75-K78 PolarHBondContact O-N 3.24Å; Q75-Q79 PolarHBondContact O-N 3.36Å
76	T	42.4	Very low	40	Very low	68 Å²	68	105.4 Å²	105.4	42%	0.417	58%	0.577	S	S	.	*	H	α-helix	trans	-65.8	-40.2	175.1	49	0	0	0	0	111.8	D72 R73 K78 Q79 L80	D72-T76 WeakPolarHBondContact O-CB 3.36Å; D72-T76 WeakPolarHBondContact O-CG2 3.34Å; D72-T76 PolarHBondContact O-N 3.17Å; D72-T76 PolarHBondContact O-OG1 3.05Å; R73-T76 WeakPolarHBondContact CA-OG1 3.46Å; R73-T76 PolarHBondContact O-OG1 3.21Å; T76-K78 VanDerWaalsContact C-N 3.32Å; T76-K78 PolarHBondContact O-N 2.99Å; T76-Q79 PolarHBondContact O-N 3.23Å; T76-Q79 VanDerWaalsContact O-N 3.17Å; T76-L80 WeakPolarHBondContact O-CD1 3.41Å; T76-L80 PolarHBondContact O-N 3.47Å
77	G	42.6	Very low	39.9	Very low	39 Å²	39	108.3 Å²	108.3	40%	0.402	59%	0.594	S	S	.	*	H	α-helix	trans	-58.5	-40.8	171.2	0	0	0	0	0	113	R73 A81	R73-G77 PolarHBondContact O-N 2.83Å; R73-G77 VanDerWaalsContact O-N 3.1Å; G77-A81 WeakPolarHBondContact O-CB 3.44Å; G77-A81 PolarHBondContact O-N 3.06Å
78	K	41.3	Very low	40.2	Very low	138 Å²	138	110.3 Å²	110.3	60%	0.6	60%	0.598	S	S	*	*	H	α-helix	trans	-68.7	-34.6	173.6	-77.1	172.2	179.7	177.6	0	113.1	V74 Q75 T76 A81 T82	V74-K78 HydrophobicContact CG1-CD 4.22Å; V74-K78 WeakPolarHBondContact O-CB 3.34Å; V74-K78 VanDerWaalsContact O-CG 3.24Å; V74-K78 WeakPolarHBondContact O-CG 3.09Å; V74-K78 PolarHBondContact O-N 2.85Å; Q75-K78 PolarHBondContact O-N 3.24Å; T76-K78 VanDerWaalsContact C-N 3.32Å; T76-K78 PolarHBondContact O-N 2.99Å; K78-A81 PolarHBondContact O-N 3.38Å; K78-T82 PolarHBondContact O-N 3.29Å; K78-T82 PolarHBondContact O-OG1 3.4Å
79	Q	42.5	Very low	40.7	Very low	126 Å²	126	112.4 Å²	112.4	59%	0.589	62%	0.616	S	S	*	*	H	α-helix	trans	-70	-42.4	174.7	-76.8	-177.4	-15.5	0	0	112.3	Q75 T76 A81 T82 V83	Q75-Q79 PolarHBondContact O-N 3.36Å; T76-Q79 PolarHBondContact O-N 3.23Å; T76-Q79 VanDerWaalsContact O-N 3.17Å; Q79-A81 VanDerWaalsContact C-N 3.26Å; Q79-A81 PolarHBondContact O-N 2.97Å; Q79-T82 WeakPolarHBondContact CA-OG1 3.42Å; Q79-T82 PolarHBondContact O-N 3.36Å; Q79-T82 PolarHBondContact O-OG1 3.12Å; Q79-V83 WeakPolarHBondContact O-CG2 3.43Å; Q79-V83 PolarHBondContact O-N 2.9Å; Q79-V83 VanDerWaalsContact O-N 3.09Å
80	L	45.1	Very low	40.5	Very low	137 Å²	137	113.4 Å²	113.4	72%	0.717	63%	0.632	S	S	*	*	H	α-helix	trans	-59.8	-38.6	171.3	-94.4	116.3	0	0	0	111.7	T76	T76-L80 WeakPolarHBondContact O-CD1 3.41Å; T76-L80 PolarHBondContact O-N 3.47Å
81	A	40.9	Very low	40.2	Very low	68 Å²	68	117.9 Å²	117.9	56%	0.562	64%	0.641	S	S	*	*	H	α-helix	trans	-69.1	-31	176.3	0	0	0	0	0	113.9	G77 K78 Q79	G77-A81 WeakPolarHBondContact O-CB 3.44Å; G77-A81 PolarHBondContact O-N 3.06Å; K78-A81 PolarHBondContact O-N 3.38Å; Q79-A81 VanDerWaalsContact C-N 3.26Å; Q79-A81 PolarHBondContact O-N 2.97Å
82	T	39	Very low	39.8	Very low	113 Å²	113	118.6 Å²	118.6	69%	0.693	64%	0.644	S	S	*	*	H	α-helix	trans	-85.9	-23	179.6	46	0	0	0	0	114.5	K78 Q79 A84	K78-T82 PolarHBondContact O-N 3.29Å; K78-T82 PolarHBondContact O-OG1 3.4Å; Q79-T82 WeakPolarHBondContact CA-OG1 3.42Å; Q79-T82 PolarHBondContact O-N 3.36Å; Q79-T82 PolarHBondContact O-OG1 3.12Å; T82-A84 VanDerWaalsContact C-N 3.26Å
83	V	38.5	Very low	39.5	Very low	126 Å²	126	116.7 Å²	116.7	76%	0.764	64%	0.64	S	S	*	*	H	α-helix	trans	-72.9	-22.5	170.1	177.1	0	0	0	0	111.5	Q79 K85	Q79-V83 WeakPolarHBondContact O-CG2 3.43Å; Q79-V83 PolarHBondContact O-N 2.9Å; Q79-V83 VanDerWaalsContact O-N 3.09Å; V83-K85 PolarHBondContact O-N 3.26Å
84	A	36.1	Very low	39.6	Very low	53 Å²	53	115.7 Å²	115.7	44%	0.438	65%	0.648	S	S	.	*			trans	-74.2	65.5	174.9	0	0	0	0	0	112.8	T82 L86	T82-A84 VanDerWaalsContact C-N 3.26Å; A84-L86 PolarHBondContact O-N 2.9Å; A84-L86 VanDerWaalsContact O-N 3.14Å
85	K	31.8	Very low	39.3	Very low	195 Å²	195	116.7 Å²	116.7	85%	0.848	67%	0.665	S	S	*	*			trans	-67.2	110.8	170.3	-129.3	176.1	-174.4	179.1	0	109.2	V83	V83-K85 PolarHBondContact O-N 3.26Å
86	L	37.3	Very low	39.2	Very low	119 Å²	119	115.3 Å²	115.3	62%	0.623	67%	0.668	S	S	*	*			trans	-63.6	131	176	-69	154.2	0	0	0	109.7	A84	A84-L86 PolarHBondContact O-N 2.9Å; A84-L86 VanDerWaalsContact O-N 3.14Å
87	N	38.8	Very low	38.9	Very low	119 Å²	119	116.6 Å²	116.6	64%	0.636	68%	0.68	S	S	*	*			trans	-85.2	157.6	168.2	-74.8	-7.5	0	0	0	110.1	L89 G90	N87-L89 PolarHBondContact O-N 2.86Å; N87-G90 PolarHBondContact O-N 3.46Å
88	D	47.4	Very low	38.4	Very low	168 Å²	168	123.8 Å²	123.8	90%	0.898	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	0.7	-166.3	-62.3	-41.2	0	0	0	117.4
89	L	47.8	Very low	38	Very low	163 Å²	163	127.3 Å²	127.3	85%	0.853	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	11	169.1	-97.4	74.6	0	0	0	113.8	N87 M91	N87-L89 PolarHBondContact O-N 2.86Å; L89-M91 PolarHBondContact O-N 3.37Å
90	G	37.1	Very low	37.7	Very low	58 Å²	58	130.4 Å²	130.4	60%	0.598	72%	0.722	S	S	*	*			trans	69.5	5	168.8	0	0	0	0	0	116.2	N87	N87-G90 PolarHBondContact O-N 3.46Å
91	M	32.9	Very low	37.5	Very low	149 Å²	149	133 Å²	133	73%	0.734	73%	0.727	S	S	*	*			trans	-97.9	135.1	-177	-68.5	-65	-75.2	0	0	112.2	L89 S93	L89-M91 PolarHBondContact O-N 3.37Å; M91-S93 PolarHBondContact O-N 3.1Å
92	L	35.1	Very low	37.8	Very low	140 Å²	140	137.2 Å²	137.2	73%	0.733	74%	0.736	S	S	*	*			trans	-66.8	95.7	170.1	-71.8	170.2	0	0	0	110.1	L94	L92-L94 PolarHBondContact O-N 3.26Å
93	S	33	Very low	38.6	Very low	84 Å²	84	141.7 Å²	141.7	59%	0.587	75%	0.745	S	S	*	*			trans	-76.2	64.6	-178.4	-176.3	0	0	0	0	113	M91 S96	M91-S93 PolarHBondContact O-N 3.1Å; S93-S96 PolarHBondContact OG-OG 3.41Å
94	L	40.6	Very low	40.1	Very low	171 Å²	171	140 Å²	140	90%	0.895	73%	0.731	S	S	*	*			trans	-96.2	-3.7	171.6	-140.7	77.2	0	0	0	113.7	L92	L92-L94 PolarHBondContact O-N 3.26Å
95	A	36.5	Very low	42	Very low	101 Å²	101	140 Å²	140	84%	0.835	73%	0.728	S	S	*	*	S	Bend	trans	-107.5	-0.9	-164.7	0	0	0	0	0	116.2
96	S	35.7	Very low	44.3	Very low	86 Å²	86	138 Å²	138	60%	0.601	72%	0.719	S	S	*	*	S	Bend	trans	-94	-13.8	-167.5	46.2	0	0	0	0	116.6	S93	S93-S96 PolarHBondContact OG-OG 3.41Å
97	S	36.1	Very low	46.3	Very low	96 Å²	96	139.5 Å²	139.5	67%	0.671	72%	0.723	S	S	*	*	S	Bend	trans	-116.4	-2.8	-166.7	-61.7	0	0	0	0	117.6
98	F	32.5	Very low	48	Very low	190 Å²	190	139.1 Å²	139.1	83%	0.833	72%	0.717	S	S	*	*			trans	-118.9	52.2	177.8	-68.8	-73.2	0	0	0	114	R100	F98-R100 PolarHBondContact O-N 2.96Å
99	K	34.1	Very low	49.4	Very low	211 Å²	211	132.2 Å²	132.2	92%	0.917	68%	0.683	S	S	*	*			trans	-71.1	61.8	155.6	-80.4	-171.9	176.9	177.9	0	111.1
100	R	36	Very low	50.9	Low	192 Å²	192	130 Å²	130	73%	0.725	67%	0.667	S	S	*	*			trans	-152.5	108.1	162.9	-153.6	169.4	-73.5	161.2	-3.2	108.1	F98 E102	F98-R100 PolarHBondContact O-N 2.96Å; R100-E102 PolarHBondContact O-N 3.25Å
101	K	41.3	Very low	52.9	Low	191 Å²	191	129.7 Å²	129.7	83%	0.83	66%	0.659	S	S	*	*			trans	-69	74.7	170.2	-73.2	-171.8	175.3	-171.3	0	108.2	D2 K103	D2-K101 IonicContact OD1-NZ 3.21Å; K101-K103 PolarHBondContact O-N 3.06Å
102	E	47.3	Very low	55	Low	157 Å²	157	126.5 Å²	126.5	73%	0.734	64%	0.644	S	S	*	*			trans	-73.7	125.1	-178.4	-163	149.3	-122.7	0	0	109.4	R100 I104	R100-E102 PolarHBondContact O-N 3.25Å; E102-I104 PolarHBondContact O-N 2.88Å
103	K	54.1	Low	56.9	Low	206 Å²	206	123.1 Å²	123.1	90%	0.896	62%	0.622	S	S	*	*			trans	-73.8	94.9	-176.3	-69	-179.8	-178.6	176.6	0	109.1	K101 S105	K101-K103 PolarHBondContact O-N 3.06Å; K103-S105 PolarHBondContact O-N 3.17Å
104	I	70.2	Confident	58.8	Low	92 Å²	92	123 Å²	123	47%	0.472	61%	0.612	S	S	.	*			trans	-55.7	129	171.4	-175.6	172.5	0	0	0	110.6	E102 Q108 A109 L112	E102-I104 PolarHBondContact O-N 2.88Å; I104-Q108 HydrophobicContact CD1-CB 3.8Å; I104-Q108 HydrophobicContact CG1-CB 3.4Å; I104-Q108 HydrophobicContact CG1-CG 4.45Å; I104-A109 HydrophobicContact CD1-CB 4.25Å; I104-A109 HydrophobicContact CG1-CB 4.46Å; I104-L112 HydrophobicContact CD1-CD1 3.6Å
105	S	77.2	Confident	60.2	Low	53 Å²	53	120.3 Å²	120.3	37%	0.371	60%	0.595	S	S	.	*			trans	-64.8	149.4	177.5	171.6	0	0	0	0	111.4	K103 H107 Q108 A109	K103-S105 PolarHBondContact O-N 3.17Å; S105-H107 PolarHBondContact O-N 3.39Å; S105-H107 VanDerWaalsContact O-N 3.08Å; S105-H107 PolarHBondContact OG-N 3.44Å; S105-Q108 PolarHBondContact O-N 3.22Å; S105-A109 PolarHBondContact O-N 3.09Å
106	K	78.5	Confident	61.7	Low	151 Å²	151	119 Å²	119	66%	0.657	57%	0.573	S	S	*	*	H	α-helix	trans	-54.1	-31.2	174.6	-166.9	173.5	-175.7	175.7	0	111.9	K110	K106-K110 WeakPolarHBondContact O-CB 3.3Å; K106-K110 PolarHBondContact O-N 3.06Å
107	H	79.4	Confident	63.2	Low	151 Å²	151	116.9 Å²	116.9	70%	0.699	56%	0.556	S	S	*	*	H	α-helix	trans	-71.5	-42.8	174.1	-65.7	-43.2	0	0	0	113.3	S105 A109 K110 A111	S105-H107 PolarHBondContact O-N 3.39Å; S105-H107 VanDerWaalsContact O-N 3.08Å; S105-H107 PolarHBondContact OG-N 3.44Å; H107-A109 VanDerWaalsContact C-N 3.34Å; H107-K110 PolarHBondContact O-N 3.43Å; H107-A111 WeakPolarHBondContact O-CB 3.32Å; H107-A111 PolarHBondContact O-N 3.3Å
108	Q	75.8	Confident	64.6	Low	112 Å²	112	120.4 Å²	120.4	52%	0.523	56%	0.56	S	S	.	*	H	α-helix	trans	-64.7	-39.7	175.4	-70.7	170.1	-51	0	0	111.1	I104 S105 K110 A111 L112	I104-Q108 HydrophobicContact CD1-CB 3.8Å; I104-Q108 HydrophobicContact CG1-CB 3.4Å; I104-Q108 HydrophobicContact CG1-CG 4.45Å; S105-Q108 PolarHBondContact O-N 3.22Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 3.5Å; Q108-A111 PolarHBondContact O-N 3.28Å; Q108-L112 PolarHBondContact O-N 3.19Å
109	A	75.6	Confident	65.9	Low	22 Å²	22	116.8 Å²	116.8	18%	0.182	55%	0.548	C	S	.	.	H	α-helix	trans	-66.6	-31	173.9	0	0	0	0	0	112.8	I104 S105 H107 R113	I104-A109 HydrophobicContact CD1-CB 4.25Å; I104-A109 HydrophobicContact CG1-CB 4.46Å; S105-A109 PolarHBondContact O-N 3.09Å; H107-A109 VanDerWaalsContact C-N 3.34Å; A109-R113 WeakPolarHBondContact O-CB 3.39Å; A109-R113 WeakPolarHBondContact O-CG 3.24Å; A109-R113 PolarHBondContact O-N 2.65Å; A109-R113 PolarHBondContact O-NE 3.26Å
110	K	80.4	Confident	67.3	Low	117 Å²	117	110.6 Å²	110.6	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-70.7	-45	170.9	-168.1	-179.6	-172.2	-101.4	0	111.3	K106 H107 Q108 L112 R113 E114	K106-K110 WeakPolarHBondContact O-CB 3.3Å; K106-K110 PolarHBondContact O-N 3.06Å; H107-K110 PolarHBondContact O-N 3.43Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 3.5Å; K110-L112 PolarHBondContact O-N 3.39Å; K110-R113 PolarHBondContact O-N 2.85Å; K110-R113 VanDerWaalsContact O-N 3.15Å; K110-E114 WeakPolarHBondContact CE-OE1 3.48Å; K110-E114 IonicContact NZ-OE1 2.66Å; K110-E114 PolarHBondContact NZ-OE1 3.39Å; K110-E114 PolarHBondContact O-N 3Å
111	A	79	Confident	67.8	Low	52 Å²	52	109.5 Å²	109.5	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-59.7	-47	178	0	0	0	0	0	112	H107 Q108 R113 E114 E115	H107-A111 WeakPolarHBondContact O-CB 3.32Å; H107-A111 PolarHBondContact O-N 3.3Å; Q108-A111 PolarHBondContact O-N 3.28Å; A111-R113 VanDerWaalsContact C-N 3.32Å; A111-R113 PolarHBondContact O-N 3.32Å; A111-E114 PolarHBondContact O-N 3.15Å; A111-E115 WeakPolarHBondContact O-CB 3.17Å; A111-E115 PolarHBondContact O-N 3.03Å
112	L	77.2	Confident	67.6	Low	82 Å²	82	104.9 Å²	104.9	43%	0.429	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-38	174	-81.7	169.3	0	0	0	112.6	I104 Q108 K110 E115 I116	I104-L112 HydrophobicContact CD1-CD1 3.6Å; Q108-L112 PolarHBondContact O-N 3.19Å; K110-L112 PolarHBondContact O-N 3.39Å; L112-E115 PolarHBondContact O-N 3.35Å; L112-I116 WeakPolarHBondContact O-CB 3.39Å; L112-I116 WeakPolarHBondContact O-CD1 3.48Å; L112-I116 WeakPolarHBondContact O-CG1 3.36Å; L112-I116 PolarHBondContact O-N 2.69Å
113	R	75.6	Confident	67.3	Low	68 Å²	68	103.1 Å²	103.1	26%	0.257	51%	0.514	S	S	.	.	H	α-helix	trans	-65.9	-41.5	174.6	-83.6	178.2	-80.1	-143.4	9.1	112.2	D10 T13 A109 K110 A111 T117	D10-R113 IonicContact OD2-NH1 3.6Å; T13-R113 PolarHBondContact OG1-NH1 2.86Å; A109-R113 WeakPolarHBondContact O-CB 3.39Å; A109-R113 WeakPolarHBondContact O-CG 3.24Å; A109-R113 PolarHBondContact O-N 2.65Å; A109-R113 PolarHBondContact O-NE 3.26Å; K110-R113 PolarHBondContact O-N 2.85Å; K110-R113 VanDerWaalsContact O-N 3.15Å; A111-R113 VanDerWaalsContact C-N 3.32Å; A111-R113 PolarHBondContact O-N 3.32Å; R113-T117 WeakPolarHBondContact O-CB 3.46Å; R113-T117 PolarHBondContact O-N 2.93Å; R113-T117 PolarHBondContact O-OG1 3.31Å
114	E	71.1	Confident	66.4	Low	83 Å²	83	97.2 Å²	97.2	39%	0.388	49%	0.492	S	S	.	.	H	α-helix	trans	-65.9	-39.5	175	-73.4	174.6	-162.5	0	0	111.9	K110 A111 T117 K118	K110-E114 WeakPolarHBondContact CE-OE1 3.48Å; K110-E114 IonicContact NZ-OE1 2.66Å; K110-E114 PolarHBondContact NZ-OE1 3.39Å; K110-E114 PolarHBondContact O-N 3Å; A111-E114 PolarHBondContact O-N 3.15Å; E114-T117 PolarHBondContact O-N 2.91Å; E114-K118 WeakPolarHBondContact O-CB 3.48Å; E114-K118 VanDerWaalsContact O-CG 3.23Å; E114-K118 WeakPolarHBondContact O-CG 3.24Å; E114-K118 PolarHBondContact O-N 3.19Å
115	E	71.6	Confident	64.8	Low	114 Å²	114	98.2 Å²	98.2	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-67.3	-49.2	176.8	-174.8	171.6	-154.8	0	0	112.1	A111 L112 T117 K118 L119	A111-E115 WeakPolarHBondContact O-CB 3.17Å; A111-E115 PolarHBondContact O-N 3.03Å; L112-E115 PolarHBondContact O-N 3.35Å; E115-T117 VanDerWaalsContact C-N 3.31Å; E115-T117 PolarHBondContact O-N 3.03Å; E115-K118 PolarHBondContact O-N 3.41Å; E115-L119 HydrophobicContact CG-CD1 4.21Å; E115-L119 WeakPolarHBondContact O-CG 3.19Å; E115-L119 PolarHBondContact O-N 2.85Å
116	I	67.6	Low	62.7	Low	72 Å²	72	104 Å²	104	37%	0.369	52%	0.523	S	S	.	.	H	α-helix	trans	-57.4	-47.1	173.1	-69.4	165.5	0	0	0	109.7	W16 L112 K118 L119 T120	W16-I116 HydrophobicContact CZ2-CG2 4.16Å; L112-I116 WeakPolarHBondContact O-CB 3.39Å; L112-I116 WeakPolarHBondContact O-CD1 3.48Å; L112-I116 WeakPolarHBondContact O-CG1 3.36Å; L112-I116 PolarHBondContact O-N 2.69Å; I116-K118 PolarHBondContact O-N 3.35Å; I116-L119 CarbonylContact O-C 3.57Å; I116-L119 PolarHBondContact O-N 3.24Å; I116-L119 VanDerWaalsContact O-N 3.09Å; I116-T120 HydrophobicContact CG2-CG2 4.08Å; I116-T120 WeakPolarHBondContact O-CB 3.3Å; I116-T120 WeakPolarHBondContact O-CG2 3.47Å; I116-T120 PolarHBondContact O-N 2.8Å; I116-T120 PolarHBondContact O-OG1 3.14Å
117	T	67.4	Low	60.6	Low	42 Å²	42	100.6 Å²	100.6	26%	0.258	52%	0.518	S	S	.	.	H	α-helix	trans	-64.3	-37.5	-179	-55.9	0	0	0	0	112.1	R113 E114 E115 L119 R121	R113-T117 WeakPolarHBondContact O-CB 3.46Å; R113-T117 PolarHBondContact O-N 2.93Å; R113-T117 PolarHBondContact O-OG1 3.31Å; E114-T117 PolarHBondContact O-N 2.91Å; E115-T117 VanDerWaalsContact C-N 3.31Å; E115-T117 PolarHBondContact O-N 3.03Å; T117-L119 VanDerWaalsContact C-N 3.31Å; T117-L119 PolarHBondContact O-N 3.2Å; T117-R121 HydrophobicContact CG2-CB 4.18Å; T117-R121 WeakPolarHBondContact O-CB 3.43Å; T117-R121 PolarHBondContact O-N 3.03Å
118	K	65.6	Low	58.2	Low	171 Å²	171	98.5 Å²	98.5	74%	0.743	52%	0.521	S	S	*	.	H	α-helix	trans	-64	-35.3	172.6	-77.3	169.3	-176.5	176.1	0	112.5	E114 E115 I116	E114-K118 WeakPolarHBondContact O-CB 3.48Å; E114-K118 VanDerWaalsContact O-CG 3.23Å; E114-K118 WeakPolarHBondContact O-CG 3.24Å; E114-K118 PolarHBondContact O-N 3.19Å; E115-K118 PolarHBondContact O-N 3.41Å; I116-K118 PolarHBondContact O-N 3.35Å
119	L	59.8	Low	55.9	Low	113 Å²	113	101.1 Å²	101.1	59%	0.592	54%	0.537	S	S	*	.	H	α-helix	trans	-81.9	-29.9	180	-70.4	170.3	0	0	0	113.4	Y68 E115 I116 T117	Y68-L119 WeakPolarHBondContact CE2-O 3.36Å; Y68-L119 PolarHBondContact OH-O 2.89Å; E115-L119 HydrophobicContact CG-CD1 4.21Å; E115-L119 WeakPolarHBondContact O-CG 3.19Å; E115-L119 PolarHBondContact O-N 2.85Å; I116-L119 CarbonylContact O-C 3.57Å; I116-L119 PolarHBondContact O-N 3.24Å; I116-L119 VanDerWaalsContact O-N 3.09Å; T117-L119 VanDerWaalsContact C-N 3.31Å; T117-L119 PolarHBondContact O-N 3.2Å
120	T	62.4	Low	53.6	Low	81 Å²	81	111.2 Å²	111.2	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-109	-18.5	-170.5	63.1	0	0	0	0	115.6	I116 P122	I116-T120 HydrophobicContact CG2-CG2 4.08Å; I116-T120 WeakPolarHBondContact O-CB 3.3Å; I116-T120 WeakPolarHBondContact O-CG2 3.47Å; I116-T120 PolarHBondContact O-N 2.8Å; I116-T120 PolarHBondContact O-OG1 3.14Å; T120-P122 VanDerWaalsContact O-CD 3.25Å; T120-P122 WeakPolarHBondContact O-CD 3.41Å
121	R	46.5	Very low	51.1	Low	170 Å²	170	110.4 Å²	110.4	64%	0.642	58%	0.58	S	S	*	*			trans	-83.3	114.8	-175.2	-167.3	-177.1	-154.3	-174.3	9.3	111.6	T117	T117-R121 HydrophobicContact CG2-CB 4.18Å; T117-R121 WeakPolarHBondContact O-CB 3.43Å; T117-R121 PolarHBondContact O-N 3.03Å
122	P	38.4	Very low	48.4	Very low	94 Å²	94	116.1 Å²	116.1	61%	0.61	60%	0.603	S	S	*	*			trans	-74	138.8	166.8	-8.7	28.1	0	0	0	109.1	T120 N124	T120-P122 VanDerWaalsContact O-CD 3.25Å; T120-P122 WeakPolarHBondContact O-CD 3.41Å; P122-N124 PolarHBondContact O-N 3.46Å
123	T	41.1	Very low	46.1	Very low	120 Å²	120	117.6 Å²	117.6	74%	0.736	62%	0.621	S	S	*	*			trans	-68.4	112.5	173.9	-54.2	0	0	0	0	109.5	P125	T123-P125 WeakPolarHBondContact O-CD 3.29Å
124	N	34.5	Very low	43.7	Very low	81 Å²	81	119.5 Å²	119.5	43%	0.433	64%	0.644	S	S	.	*			trans	-75.3	117.3	175	-178.5	-9.6	0	0	0	109.8	P122 F126 S127	P122-N124 PolarHBondContact O-N 3.46Å; N124-F126 PolarHBondContact O-N 2.98Å; N124-F126 VanDerWaalsContact O-N 3.1Å; N124-F126 PolarHBondContact OD1-N 2.99Å; N124-S127 PolarHBondContact O-N 3.4Å; N124-S127 PolarHBondContact O-OG 3.46Å; N124-S127 VanDerWaalsContact O-OG 3.06Å
125	P	36.5	Very low	41.6	Very low	113 Å²	113	118.7 Å²	118.7	73%	0.734	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-19.4	-179.5	-22.4	34.6	0	0	0	114.3	T123	T123-P125 WeakPolarHBondContact O-CD 3.29Å
126	F	33.6	Very low	39.2	Very low	176 Å²	176	122.4 Å²	122.4	77%	0.772	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	3.9	-174.9	-58.1	-79.4	0	0	0	114	N124 S128	N124-F126 PolarHBondContact O-N 2.98Å; N124-F126 VanDerWaalsContact O-N 3.1Å; N124-F126 PolarHBondContact OD1-N 2.99Å; F126-S128 PolarHBondContact O-N 2.82Å
127	S	33.4	Very low	37.2	Very low	78 Å²	78	125.5 Å²	125.5	55%	0.545	69%	0.686	S	S	.	*	S	Bend	trans	-75.5	104.4	163.8	59	0	0	0	0	108.7	N124 L129	N124-S127 PolarHBondContact O-N 3.4Å; N124-S127 PolarHBondContact O-OG 3.46Å; N124-S127 VanDerWaalsContact O-OG 3.06Å; S127-L129 PolarHBondContact O-N 3.42Å
128	S	29.6	Very low	35.1	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	71%	0.712	S	S	*	*			trans	-47.6	127.2	172.3	-52.9	0	0	0	0	109.7	F126 R130	F126-S128 PolarHBondContact O-N 2.82Å; S128-R130 VanDerWaalsContact C-N 3.32Å; S128-R130 PolarHBondContact O-N 2.88Å
129	L	27	Very low	33.1	Very low	166 Å²	166	131.8 Å²	131.8	87%	0.869	72%	0.717	S	S	*	*			trans	-63.4	91.9	-178.3	-153.2	78.9	0	0	0	108.7	S127 S131	S127-L129 PolarHBondContact O-N 3.42Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.25Å
130	R	27.6	Very low	31.4	Very low	234 Å²	234	131.6 Å²	131.6	88%	0.883	73%	0.726	S	S	*	*			trans	-72.9	94.9	172.9	-75.2	-173	178.6	-111.4	0.6	107	S128 D132	S128-R130 VanDerWaalsContact C-N 3.32Å; S128-R130 PolarHBondContact O-N 2.88Å; R130-D132 PolarHBondContact O-N 2.93Å
131	S	27.8	Very low	29.5	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	74%	0.738	S	S	*	*			trans	-47.5	134.5	171.8	-51.9	0	0	0	0	110.3	L129 S133	L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.25Å; S131-S133 PolarHBondContact O-N 3.49Å; S131-S133 VanDerWaalsContact O-N 3.09Å
132	D	23	Very low	28.2	Very low	171 Å²	171	134 Å²	134	91%	0.914	75%	0.748	S	S	*	*			trans	-58.1	113.9	176.2	-66.4	-66	0	0	0	110.8	R130	R130-D132 PolarHBondContact O-N 2.93Å
133	S	27.7	Very low	27.5	Very low	114 Å²	114	135 Å²	135	80%	0.797	76%	0.756	S	S	*	*			trans	-131.1	98.9	158.2	55.4	0	0	0	0	109.5	S131 G135	S131-S133 PolarHBondContact O-N 3.49Å; S131-S133 VanDerWaalsContact O-N 3.09Å; S133-G135 PolarHBondContact O-N 2.81Å
134	S	25.4	Very low	26.3	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	75%	0.754	S	S	*	*			trans	-66.7	121.6	165.5	40.2	0	0	0	0	109.1
135	G	26.8	Very low	25.8	Very low	67 Å²	67	136.6 Å²	136.6	69%	0.691	77%	0.773	S	S	*	*			trans	-166.3	83.1	-171.3	0	0	0	0	0	112.7	S133	S133-G135 PolarHBondContact O-N 2.81Å
136	Y	21.6	Very low	25	Very low	192 Å²	192	137 Å²	137	75%	0.753	77%	0.774	S	S	*	*			trans	-57.4	128.9	165.7	23.8	-91	0	0	0	112
137	D	25.8	Very low	24.3	Very low	136 Å²	136	136.5 Å²	136.5	73%	0.727	77%	0.774	S	S	*	*			trans	165.7	120.1	140.6	-87	-32.9	0	0	0	109
138	K	23.9	Very low	23.9	Very low	183 Å²	183	138.5 Å²	138.5	80%	0.796	79%	0.786	S	S	*	*				67.8	105.1	77.7	-78.9	-173.6	175.9	175.9	0	115.7
139	N	22	Very low	23.5	Very low	162 Å²	162	140.4 Å²	140.4	87%	0.866	79%	0.787	S	S	*	*			trans	46.6	100.9	143	-62.6	33.9	0	0	0	120.9
140	S	24.5	Very low	23.4	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	79%	0.789	S	S	*	*			trans	-166	125.1	132	-163.2	0	0	0	0	106.6
141	S	23	Very low	23.1	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	79%	0.786	S	S	*	*				65.7	111.9	57.2	-57.1	0	0	0	0	114.2
142	F	19.8	Very low	22.9	Very low	193 Å²	193	138 Å²	138	85%	0.846	79%	0.788	S	S	*	*			trans	86.2	95.2	144.1	-134	-86.4	0	0	0	122.3
143	C	22.3	Very low	23.2	Very low	115 Å²	115	136.8 Å²	136.8	78%	0.777	79%	0.786	S	S	*	*			trans	173.2	136.8	137.1	56.7	0	0	0	0	107.3
144	T	17.4	Very low	22.9	Very low	115 Å²	115	138.1 Å²	138.1	71%	0.706	79%	0.79	S	S	*	*			cis	70.7	80.4	12.5	-12.8	0	0	0	0	116.4
145	S	22.3	Very low	23	Very low	120 Å²	120	138.5 Å²	138.5	84%	0.839	79%	0.793	S	S	*	*			trans	172.3	148.6	152.4	-74.7	0	0	0	0	108.1
146	T	20.9	Very low	22.7	Very low	123 Å²	123	146.8 Å²	146.8	76%	0.755	80%	0.803	S	S	*	*			cis	-159.1	154.1	-26.7	-64.5	0	0	0	0	105.3
147	E	17.7	Very low	22.9	Very low	164 Å²	164	143.8 Å²	143.8	77%	0.766	81%	0.805	S	S	*	*			trans	-53.1	152.2	169.9	-55.7	-89.2	96.7	0	0	112.2
148	P	26.2	Very low	22.9	Very low	121 Å²	121	142.4 Å²	142.4	79%	0.786	81%	0.806	S	S	*	*			trans	-115.5	111.9	143.3	32	-21.5	0	0	0	110.2
149	D	20	Very low	23.1	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	81%	0.811	S	S	*	*			trans	-60.8	137.9	155.9	-62.7	-80.6	0	0	0	109.1
150	D	25.8	Very low	23.5	Very low	169 Å²	169	143 Å²	143	90%	0.904	81%	0.808	S	S	*	*			trans	-141.8	124.3	158.3	-125.4	-31.7	0	0	0	110.6
151	E	21.8	Very low	23.9	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	81%	0.811	S	S	*	*			trans	-86	147.3	-172.5	-111.2	-170.5	117.3	0	0	111.8
152	S	24.1	Very low	24.5	Very low	105 Å²	105	148 Å²	148	73%	0.734	82%	0.817	S	S	*	*			trans	63.7	113.2	154.2	75.3	0	0	0	0	118.5
153	T	28.1	Very low	25	Very low	145 Å²	145	148 Å²	148	89%	0.89	82%	0.817	S	S	*	*				-159.6	125.5	114.2	13.4	0	0	0	0	110.6
154	T	22.4	Very low	25.7	Very low	141 Å²	141	145.9 Å²	145.9	87%	0.865	80%	0.802	S	S	*	*			trans	-80.5	117.5	178.3	50.9	0	0	0	0	111
155	S	26	Very low	27	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	81%	0.806	S	S	*	*			trans	-116.1	118.9	161.5	57	0	0	0	0	110
156	R	21.2	Very low	27.9	Very low	241 Å²	241	144.5 Å²	144.5	91%	0.909	80%	0.797	S	S	*	*			trans	-84.2	119.6	-173.6	-63.1	150.8	75.7	178.6	6.7	109.9
157	T	25.9	Very low	28.8	Very low	129 Å²	129	141.7 Å²	141.7	79%	0.791	78%	0.781	S	S	*	*			trans	-140.4	131.6	156.6	40.3	0	0	0	0	111.8
158	S	26.7	Very low	29.6	Very low	106 Å²	106	138 Å²	138	74%	0.741	77%	0.773	S	S	*	*			trans	23.9	115	159.1	50.6	0	0	0	0	119.9	D160	S158-D160 PolarHBondContact O-N 3.42Å
159	F	27.5	Very low	30	Very low	205 Å²	205	137.8 Å²	137.8	90%	0.899	77%	0.769	S	S	*	*			trans	-60	108.7	165.4	-72.9	-102	0	0	0	112.3
160	D	30.4	Very low	30.6	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	77%	0.769	S	S	*	*			trans	-78.1	122.6	158.6	-95.5	-43.6	0	0	0	109.9	S158 V162	S158-D160 PolarHBondContact O-N 3.42Å; D160-V162 PolarHBondContact O-N 2.83Å
161	H	31.5	Very low	30.8	Very low	178 Å²	178	140.4 Å²	140.4	82%	0.824	77%	0.768	S	S	*	*			trans	-69.4	95.8	-179.4	-83.3	-85.9	0	0	0	111.6	K163	H161-K163 PolarHBondContact O-N 3.21Å
162	V	36.7	Very low	31.3	Very low	143 Å²	143	140.9 Å²	140.9	87%	0.867	77%	0.771	S	S	*	*			trans	-59.9	110	168.2	179.9	0	0	0	0	109.4	D160 C164	D160-V162 PolarHBondContact O-N 2.83Å; V162-C164 PolarHBondContact O-N 3.29Å
163	K	30.8	Very low	31.5	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	78%	0.777	S	S	*	*			trans	-66.5	112.9	-176.9	-73.5	171.8	177.6	167	0	111.2	H161 S165	H161-K163 PolarHBondContact O-N 3.21Å; K163-S165 PolarHBondContact O-N 3.03Å; K163-S165 VanDerWaalsContact O-N 3.12Å
164	C	35.5	Very low	31.8	Very low	69 Å²	69	142.3 Å²	142.3	47%	0.466	76%	0.761	S	S	.	*			trans	-60.3	111	164.4	175	0	0	0	0	109.7	V162 C167	V162-C164 PolarHBondContact O-N 3.29Å; C164-C167 WeakPolarHBondContact CB-SG 3.48Å; C164-C167 WeakPolarHBondContact SG-CB 3.43Å; C164-C167 PolarHBondContact SG-N 3.36Å; C164-C167 VanDerWaalsContact SG-N 3.44Å; C164-C167 CovalentContact SG-SG 2.05Å; C164-C167 PolarHBondContact SG-SG 3.43Å
165	S	44.5	Very low	32.7	Very low	114 Å²	114	146.4 Å²	146.4	80%	0.797	76%	0.761	S	S	*	*	S	Bend	trans	-91.8	-11.8	176.7	74.3	0	0	0	0	113.9	K163	K163-S165 PolarHBondContact O-N 3.03Å; K163-S165 VanDerWaalsContact O-N 3.12Å
166	S	41.4	Very low	33.3	Very low	93 Å²	93	149.8 Å²	149.8	65%	0.65	76%	0.764	S	S	*	*	S	Bend	trans	-97.8	-14.6	-171.6	53.5	0	0	0	0	115.2
167	C	40.3	Very low	34.2	Very low	63 Å²	63	145.6 Å²	145.6	43%	0.426	76%	0.755	S	S	.	*	S	Bend	trans	-93.6	-8	-168.3	46.2	0	0	0	0	116.1	C164	C164-C167 WeakPolarHBondContact CB-SG 3.48Å; C164-C167 WeakPolarHBondContact SG-CB 3.43Å; C164-C167 PolarHBondContact SG-N 3.36Å; C164-C167 VanDerWaalsContact SG-N 3.44Å; C164-C167 CovalentContact SG-SG 2.05Å; C164-C167 PolarHBondContact SG-SG 3.43Å
168	C	35.9	Very low	35	Very low	87 Å²	87	143.9 Å²	143.9	59%	0.588	75%	0.747	S	S	*	*			trans	-130	46.5	-169.3	-57.7	0	0	0	0	114.7
169	V	33.6	Very low	36	Very low	117 Å²	117	145.4 Å²	145.4	71%	0.709	75%	0.752	S	S	*	*			trans	-105.4	6.6	179.6	-79.7	0	0	0	0	115.3
170	H	32.6	Very low	37	Very low	169 Å²	169	141.5 Å²	141.5	78%	0.782	74%	0.735	S	S	*	*	S	Bend	trans	-131.7	133.6	172	-85.4	-88.7	0	0	0	112.3
171	F	31	Very low	37.7	Very low	201 Å²	201	136.9 Å²	136.9	88%	0.882	72%	0.715	S	S	*	*			trans	73.1	119.9	-179.3	-83	-97.1	0	0	0	118.1	F173	F171-F173 PolarHBondContact O-N 3.49Å; F171-F173 VanDerWaalsContact O-N 3.13Å
172	E	31.2	Very low	38.6	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	71%	0.711	S	S	*	*	S	Bend	trans	-66.2	99.4	160.3	-64.1	-179	134.1	0	0	108.9
173	F	29.4	Very low	39.1	Very low	199 Å²	199	129.2 Å²	129.2	87%	0.873	70%	0.697	S	S	*	*	S	Bend	trans	179.4	145.9	138	-113.8	-91.4	0	0	0	109.6	F171	F171-F173 PolarHBondContact O-N 3.49Å; F171-F173 VanDerWaalsContact O-N 3.13Å
174	S	34.4	Very low	39.8	Very low	80 Å²	80	124.3 Å²	124.3	56%	0.559	68%	0.677	S	S	*	*			trans	57.1	85.5	171.5	-67.4	0	0	0	0	118.4	E176	S174-E176 VanDerWaalsContact C-N 3.27Å
175	R	40	Very low	40.1	Very low	227 Å²	227	122.8 Å²	122.8	86%	0.857	67%	0.667	S	S	*	*	S	Bend	trans	-77.9	-8.1	164	-157.7	172.9	-174.4	155.9	4.5	113.7
176	E	38.6	Very low	40.4	Very low	188 Å²	188	120.4 Å²	120.4	88%	0.879	65%	0.654	S	S	*	*	S	Bend	trans	-102.1	3.8	-165.7	-61.5	-173.6	163.7	0	0	115.2	S174	S174-E176 VanDerWaalsContact C-N 3.27Å
177	Q	39.5	Very low	40.3	Very low	153 Å²	153	122 Å²	122	72%	0.715	66%	0.655	S	S	*	*			trans	-126.3	13.2	-174.3	-69	-179.8	-5.6	0	0	114.8	T179	Q177-T179 PolarHBondContact O-N 3.47Å
178	C	43.1	Very low	40.4	Very low	92 Å²	92	124.6 Å²	124.6	62%	0.622	66%	0.664	S	S	*	*			trans	-83	96.5	174.1	-165.3	0	0	0	0	110.9
179	T	47.5	Very low	40.4	Very low	139 Å²	139	127.2 Å²	127.2	85%	0.853	67%	0.671	S	S	*	*			trans	-96.6	6.4	179.3	52.6	0	0	0	0	114.1	Q177	Q177-T179 PolarHBondContact O-N 3.47Å
180	K	48.3	Very low	40.4	Very low	122 Å²	122	126 Å²	126	53%	0.53	67%	0.668	S	S	.	*			trans	-82.6	146.3	-176.1	-68.4	-172.2	177	-175.5	0	112.8	E184	K180-E184 HydrophobicContact CB-CB 4.49Å
181	S	46.5	Very low	40.5	Very low	57 Å²	57	122.7 Å²	122.7	40%	0.399	66%	0.664	S	S	.	*			trans	-75.1	156.8	179	67.1	0	0	0	0	112.3	A183 E184 C185	S181-A183 PolarHBondContact O-N 3.48Å; S181-E184 WeakPolarHBondContact CB-OE2 3.47Å; S181-E184 PolarHBondContact N-OE2 3.3Å; S181-E184 PolarHBondContact O-N 3.26Å; S181-E184 VanDerWaalsContact O-N 3.12Å; S181-E184 WeakPolarHBondContact OG-CG 3.35Å; S181-E184 PolarHBondContact OG-OE2 3.32Å; S181-C185 PolarHBondContact O-N 3.12Å
182	A	49.6	Very low	40.3	Very low	91 Å²	91	118.9 Å²	118.9	75%	0.752	66%	0.657	S	S	*	*	H	α-helix	trans	-58.3	-30.7	179.2	0	0	0	0	0	113.3	A186	A182-A186 PolarHBondContact O-N 3.17Å
183	A	47.5	Very low	40.1	Very low	69 Å²	69	121.5 Å²	121.5	57%	0.57	66%	0.659	S	S	*	*	H	α-helix	trans	-69.4	-38.4	177.2	0	0	0	0	0	112.8	S181 A186 L187	S181-A183 PolarHBondContact O-N 3.48Å; A183-A186 PolarHBondContact O-N 3.47Å; A183-L187 PolarHBondContact O-N 2.95Å
184	E	46	Very low	40.1	Very low	91 Å²	91	117.2 Å²	117.2	43%	0.425	65%	0.654	S	S	.	*	H	α-helix	trans	-68.1	-36.5	176.5	-69.2	167.3	104.8	0	0	112	K180 S181 A186 L187	K180-E184 HydrophobicContact CB-CB 4.49Å; S181-E184 WeakPolarHBondContact CB-OE2 3.47Å; S181-E184 PolarHBondContact N-OE2 3.3Å; S181-E184 PolarHBondContact O-N 3.26Å; S181-E184 VanDerWaalsContact O-N 3.12Å; S181-E184 WeakPolarHBondContact OG-CG 3.35Å; S181-E184 PolarHBondContact OG-OE2 3.32Å; E184-A186 VanDerWaalsContact C-N 3.31Å; E184-A186 PolarHBondContact O-N 2.76Å; E184-L187 PolarHBondContact O-N 3.33Å
185	C	41.8	Very low	39.7	Very low	37 Å²	37	121.9 Å²	121.9	25%	0.25	67%	0.667	C	S	.	*	H	α-helix	trans	-65.3	-33.7	174.9	-71	0	0	0	0	112.6	S181 L187 L188	S181-C185 PolarHBondContact O-N 3.12Å; C185-L187 VanDerWaalsContact C-N 3.34Å; C185-L187 PolarHBondContact O-N 3.45Å; C185-L188 PolarHBondContact O-N 3.33Å
186	A	49.5	Very low	39	Very low	65 Å²	65	116.8 Å²	116.8	54%	0.537	67%	0.666	S	S	.	*	H	α-helix	trans	-66.1	-34.7	176.9	0	0	0	0	0	112.8	A182 A183 E184 L188	A182-A186 PolarHBondContact O-N 3.17Å; A183-A186 PolarHBondContact O-N 3.47Å; E184-A186 VanDerWaalsContact C-N 3.31Å; E184-A186 PolarHBondContact O-N 2.76Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 3.18Å
187	L	41.2	Very low	38.2	Very low	127 Å²	127	118.5 Å²	118.5	67%	0.665	66%	0.664	S	S	*	*	H	α-helix	trans	-75	-18.7	-179.3	-67.6	174.4	0	0	0	114.1	A183 E184 C185 S190	A183-L187 PolarHBondContact O-N 2.95Å; E184-L187 PolarHBondContact O-N 3.33Å; C185-L187 VanDerWaalsContact C-N 3.34Å; C185-L187 PolarHBondContact O-N 3.45Å; L187-S190 PolarHBondContact O-OG 3.49Å
188	L	41.3	Very low	37.5	Very low	117 Å²	117	120.4 Å²	120.4	61%	0.613	67%	0.673	S	S	*	*	H	α-helix	trans	-79.7	-20.6	177.6	-72.3	169.4	0	0	0	113.1	C185 A186	C185-L188 PolarHBondContact O-N 3.33Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 3.18Å
189	L	36.5	Very low	36.6	Very low	141 Å²	141	125.1 Å²	125.1	74%	0.738	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-11.7	179.5	-78.5	163.7	0	0	0	114.1
190	S	33.5	Very low	35.5	Very low	93 Å²	93	123.6 Å²	123.6	65%	0.65	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-7.5	180	54.3	0	0	0	0	115	L187	L187-S190 PolarHBondContact O-OG 3.49Å
191	S	33.8	Very low	34.4	Very low	99 Å²	99	124.5 Å²	124.5	69%	0.692	69%	0.694	S	S	*	*	S	Bend	trans	-111.3	5.5	-167.6	-62.9	0	0	0	0	115.9
192	T	27.8	Very low	33.5	Very low	121 Å²	121	126.8 Å²	126.8	74%	0.742	71%	0.708	S	S	*	*			trans	-129.4	54.1	179.9	52.9	0	0	0	0	113.9
193	R	26.9	Very low	32.2	Very low	244 Å²	244	129 Å²	129	92%	0.921	72%	0.716	S	S	*	*			trans	-103.8	96.9	157.1	-169.2	171.2	179.4	174.2	-1.3	110	Q195	R193-Q195 PolarHBondContact O-N 3.35Å
194	S	29.2	Very low	31.1	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	72%	0.723	S	S	*	*			trans	-65.3	112.8	175.7	35.2	0	0	0	0	111.8	S196	S194-S196 PolarHBondContact O-N 3.13Å
195	Q	24.9	Very low	29.9	Very low	179 Å²	179	134.3 Å²	134.3	84%	0.836	74%	0.744	S	S	*	*			trans	17.9	92.9	134.1	-55.9	179.4	13.6	0	0	116.7	R193	R193-Q195 PolarHBondContact O-N 3.35Å
196	S	25.3	Very low	29.1	Very low	120 Å²	120	138.3 Å²	138.3	84%	0.839	77%	0.77	S	S	*	*			trans	-113.7	125.3	140.9	60.7	0	0	0	0	108.1	S194	S194-S196 PolarHBondContact O-N 3.13Å
197	R	23.2	Very low	27.9	Very low	223 Å²	223	139.7 Å²	139.7	84%	0.842	78%	0.781	S	S	*	*			trans	-83.1	121.6	-175.2	-62.2	176.4	-179.6	-145	0.6	109.5
198	H	25	Very low	26.9	Very low	194 Å²	194	140.7 Å²	140.7	90%	0.898	79%	0.793	S	S	*	*			trans	-149.4	130.5	140	-96.3	-71.6	0	0	0	107.9
199	E	23.1	Very low	26	Very low	190 Å²	190	139.6 Å²	139.6	89%	0.888	80%	0.8	S	S	*	*			trans	-71.6	154.8	-175.1	-98.1	-174.9	110.2	0	0	113.1
200	P	25	Very low	26.1	Very low	107 Å²	107	138.4 Å²	138.4	70%	0.695	80%	0.801	S	S	*	*			trans	-95	148.3	-179.1	37.5	-32.7	0	0	0	112.6
201	T	25.2	Very low	25.5	Very low	141 Å²	141	141.5 Å²	141.5	87%	0.865	81%	0.807	S	S	*	*			trans	-162.9	151.7	138.4	8.5	0	0	0	0	109.8
202	P	28.2	Very low	25	Very low	106 Å²	106	142.2 Å²	142.2	69%	0.688	81%	0.807	S	S	*	*			trans	-98.8	141.2	-150.1	35.9	-35	0	0	0	114.8
203	C	20.8	Very low	24.7	Very low	137 Å²	137	143.5 Å²	143.5	93%	0.926	81%	0.805	S	S	*	*			trans	-97	86.8	161.5	-73.3	0	0	0	0	110.2
204	S	25.3	Very low	24.5	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	79%	0.792	S	S	*	*			trans	-70.3	140.1	161.5	-64.7	0	0	0	0	110.1	P206	S204-P206 WeakPolarHBondContact O-CD 3.06Å
205	I	20.9	Very low	24.2	Very low	167 Å²	167	139.9 Å²	139.9	86%	0.856	79%	0.794	S	S	*	*			trans	-68.2	136.8	174.4	-58.2	158	0	0	0	109.7
206	P	24.6	Very low	24.1	Very low	121 Å²	121	142 Å²	142	79%	0.786	79%	0.794	S	S	*	*			trans	-125.8	150	152.8	33.7	-19.9	0	0	0	112.9	S204	S204-P206 WeakPolarHBondContact O-CD 3.06Å
207	A	23.8	Very low	24.2	Very low	94 Å²	94	140.9 Å²	140.9	78%	0.777	79%	0.786	S	S	*	*			trans	-85.6	150.2	-177.4	0	0	0	0	0	113.6
208	T	19.7	Very low	24.2	Very low	148 Å²	148	135.4 Å²	135.4	91%	0.908	78%	0.782	S	S	*	*			trans	-11.9	117.2	155	-26.2	0	0	0	0	118.5
209	A	24.2	Very low	24.3	Very low	94 Å²	94	131.1 Å²	131.1	78%	0.777	78%	0.78	S	S	*	*			trans	-168	158.1	145.9	0	0	0	0	0	111.3
210	P	38.4	Very low	24.4	Very low	116 Å²	116	126.1 Å²	126.1	75%	0.753	78%	0.779	S	S	*	*			trans	-121.6	179.6	-155	42.7	-31.2	0	0	0	116.9
211	M	20.1	Very low	24.4	Very low	158 Å²	158	125 Å²	125	78%	0.778	79%	0.787	S	S	*	*			trans	100.2	127.7	153.7	-58.5	-113.7	88.7	0	0	120.5
212	T	23.7	Very low	24.5	Very low	114 Å²	114	126.6 Å²	126.6	70%	0.699	78%	0.784	S	S	*	*			trans	74.3	116.3	139.3	49.5	0	0	0	0	123.8
213	E	21.8	Very low	24.3	Very low	148 Å²	148	129.2 Å²	129.2	69%	0.692	79%	0.787	S	S	*	*				81.8	126.6	128.2	-69.9	-145.5	140	0	0	124.4
214	K	22.6	Very low	24.3	Very low	148 Å²	148	128.3 Å²	128.3	64%	0.643	78%	0.778	S	S	*	*			trans	76.2	114.9	135.7	-79.4	-175.4	178.5	89.8	0	121.6
215	T	21.8	Very low	24.1	Very low	129 Å²	129	132.7 Å²	132.7	79%	0.791	78%	0.784	S	S	*	*			trans	57.2	138.5	134.2	60.2	0	0	0	0	118.8
216	R	23.6	Very low	24.3	Very low	223 Å²	223	131.7 Å²	131.7	84%	0.842	79%	0.786	S	S	*	*			cis	-175.2	155.2	41.8	-164.3	-173.7	172.6	172.4	-2.6	109.4
217	S	26.2	Very low	24.2	Very low	97 Å²	97	131.3 Å²	131.3	68%	0.678	78%	0.781	S	S	*	*			trans	65.9	154.9	156	-76.9	0	0	0	0	118.9
218	S	25.1	Very low	24.2	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	78%	0.775	S	S	*	*			cis	-167.7	157	-16.5	-97.1	0	0	0	0	110.8
219	A	26.8	Very low	24.4	Very low	105 Å²	105	134 Å²	134	87%	0.868	77%	0.768	S	S	*	*			trans	77.6	134.4	150.3	0	0	0	0	0	122.3
220	G	25.3	Very low	24.3	Very low	84 Å²	84	137.8 Å²	137.8	87%	0.866	77%	0.77	S	S	*	*			trans	85.9	132.3	163.7	0	0	0	0	0	115.4
221	G	25	Very low	23.8	Very low	83 Å²	83	140 Å²	140	86%	0.856	77%	0.773	S	S	*	*			cis	-175.9	153.3	-3.4	0	0	0	0	0	109.2
222	H	26.7	Very low	24	Very low	175 Å²	175	137.5 Å²	137.5	81%	0.81	77%	0.771	S	S	*	*			trans	-99.6	156.5	-167.2	-106	-41.2	0	0	0	114.5
223	Q	24	Very low	24.6	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.752	77%	0.773	S	S	*	*			trans	70.9	119.3	151.3	-68.8	166.9	48.6	0	0	116.9
224	T	20.7	Very low	24.9	Very low	119 Å²	119	139 Å²	139	73%	0.73	78%	0.783	S	S	*	*				84.4	119.2	56.5	62.6	0	0	0	0	116.5
225	K	20.3	Very low	24.8	Very low	196 Å²	196	140.2 Å²	140.2	85%	0.852	79%	0.794	S	S	*	*			trans	68.2	127.8	162	-60.7	176.8	178	179	0	118.4
226	T	25.7	Very low	25	Very low	145 Å²	145	137.1 Å²	137.1	89%	0.89	79%	0.787	S	S	*	*				-171	172.3	97.9	36.2	0	0	0	0	111.7
227	T	21.7	Very low	25.2	Very low	114 Å²	114	134.9 Å²	134.9	70%	0.699	79%	0.79	S	S	*	*			trans	-82.4	158.4	-179.7	46.2	0	0	0	0	113.3
228	D	24.7	Very low	25	Very low	120 Å²	120	134.3 Å²	134.3	64%	0.642	79%	0.791	S	S	*	*				165.9	141.1	103.8	-100.4	-77.4	0	0	0	115.4
229	K	24	Very low	25	Very low	177 Å²	177	134.4 Å²	134.4	77%	0.77	79%	0.792	S	S	*	*			trans	48.6	140.1	141.5	-76.3	171.2	-177.2	174.2	0	126.3
230	E	22	Very low	24.7	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	79%	0.787	S	S	*	*			trans	64.6	129.3	151.9	-65.2	-167.7	155.9	0	0	118.6
231	M	27.1	Very low	24.8	Very low	164 Å²	164	142 Å²	142	81%	0.808	79%	0.788	S	S	*	*				-154.3	149.8	56.3	-175.3	68.7	80.6	0	0	113.1
232	S	24.8	Very low	24.7	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	78%	0.781	S	S	*	*			trans	-132.8	-178.4	170.2	-64.7	0	0	0	0	109
233	P	35.6	Very low	24.8	Very low	115 Å²	115	141.8 Å²	141.8	75%	0.747	78%	0.782	S	S	*	*				-121.2	172.7	-63.5	37.5	-24.5	0	0	0	111.4
234	I	29.1	Very low	24.9	Very low	177 Å²	177	139 Å²	139	91%	0.908	78%	0.78	S	S	*	*			trans	-99.6	133.1	173.9	-62.4	176.1	0	0	0	110.3
235	M	21.1	Very low	25.2	Very low	175 Å²	175	142.2 Å²	142.2	86%	0.862	79%	0.786	S	S	*	*			trans	-139.8	146.2	-176.9	-112.5	-74	-80.1	0	0	111.4
236	G	24.4	Very low	25.6	Very low	64 Å²	64	139.7 Å²	139.7	66%	0.66	79%	0.788	S	S	*	*			trans	97.7	123.5	150.9	0	0	0	0	0	118.6
237	I	28	Very low	25.5	Very low	176 Å²	176	140.8 Å²	140.8	90%	0.903	79%	0.787	S	S	*	*			trans	-141	142.8	141.7	-54	-177.7	0	0	0	108.5
238	A	23.1	Very low	25.8	Very low	84 Å²	84	139.7 Å²	139.7	69%	0.694	79%	0.79	S	S	*	*			trans	-141.5	176.2	176.8	0	0	0	0	0	108.7
239	S	24.5	Very low	25.9	Very low	109 Å²	109	138.6 Å²	138.6	76%	0.762	79%	0.791	S	S	*	*			cis	-153.7	-178.7	19	-38.1	0	0	0	0	112.7
240	N	21.6	Very low	26.1	Very low	142 Å²	142	138.6 Å²	138.6	76%	0.759	79%	0.794	S	S	*	*			trans	-40	152.3	162.9	-55.5	-30	0	0	0	115.6
241	F	27	Very low	26.3	Very low	206 Å²	206	138.4 Å²	138.4	90%	0.904	80%	0.797	S	S	*	*			trans	-132.4	140.9	139.3	-102.8	-84.3	0	0	0	110.3
242	S	22.9	Very low	26.2	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	79%	0.793	S	S	*	*			trans	-136.3	140.4	174.8	-57.3	0	0	0	0	108.8
243	N	27.6	Very low	26.3	Very low	156 Å²	156	139 Å²	139	83%	0.834	80%	0.798	S	S	*	*			trans	179.8	153	167.3	-90.7	-24.1	0	0	0	107
244	S	26.2	Very low	25.7	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	80%	0.8	S	S	*	*			cis	-170.5	157.5	-27.9	47.4	0	0	0	0	107.5
245	H	26.5	Very low	25.4	Very low	185 Å²	185	136.3 Å²	136.3	86%	0.856	79%	0.792	S	S	*	*			trans	-52.2	157.9	-178.6	-62.3	-103.2	0	0	0	115.9
246	T	29.6	Very low	25.7	Very low	144 Å²	144	132.6 Å²	132.6	88%	0.883	79%	0.789	S	S	*	*				-167.3	151.9	119.4	-66	0	0	0	0	110.9
247	L	23.8	Very low	25.8	Very low	168 Å²	168	135.5 Å²	135.5	88%	0.88	79%	0.79	S	S	*	*			trans	-86	151.3	178.8	-64.5	127	0	0	0	113.1
248	A	27.8	Very low	25.6	Very low	91 Å²	91	134 Å²	134	75%	0.752	78%	0.781	S	S	*	*			trans	-175.1	110.5	134.8	0	0	0	0	0	113.8
249	S	27.9	Very low	25.7	Very low	97 Å²	97	136 Å²	136	68%	0.678	79%	0.788	S	S	*	*			trans	12.1	135.9	140.4	53.3	0	0	0	0	123.2
250	Q	27.9	Very low	25.6	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	78%	0.784	S	S	*	*			trans	69.5	111.3	138.9	-64.3	168.7	6.1	0	0	119.6
251	I	26.2	Very low	25.9	Very low	170 Å²	170	133.1 Å²	133.1	87%	0.872	78%	0.778	S	S	*	*				-173.3	147.7	101.6	-91.8	159.1	0	0	0	109.4
252	S	23.5	Very low	26.1	Very low	104 Å²	104	132.3 Å²	132.3	73%	0.727	77%	0.774	S	S	*	*			trans	-81.8	170.8	-176.7	-51.2	0	0	0	0	113.5
253	Q	27.4	Very low	26.8	Very low	177 Å²	177	138.8 Å²	138.8	83%	0.827	79%	0.785	S	S	*	*			trans	98	84.8	165.2	-56.7	179.1	-4.4	0	0	117.9
254	S	23.9	Very low	26.8	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	79%	0.785	S	S	*	*				37.5	83.2	124.3	61.6	0	0	0	0	120
255	V	22.8	Very low	27.2	Very low	122 Å²	122	141 Å²	141	74%	0.739	79%	0.788	S	S	*	*			trans	-142.3	131.3	137.9	-175.4	0	0	0	0	109
256	A	27.8	Very low	27.1	Very low	98 Å²	98	137.3 Å²	137.3	81%	0.81	78%	0.782	S	S	*	*			trans	-150.2	100.8	158	0	0	0	0	0	105
257	D	25.6	Very low	27.1	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	78%	0.779	S	S	*	*				59.6	71.3	62.6	-66.4	-26.9	0	0	0	114.4
258	I	22.9	Very low	27.1	Very low	143 Å²	143	138 Å²	138	73%	0.733	77%	0.774	S	S	*	*				30.1	116.6	113	-54.6	173	0	0	0	116.7	C260	I258-C260 HydrophobicContact CG2-CB 4.45Å; I258-C260 VanDerWaalsContact CG2-N 3.33Å
259	P	26.6	Very low	27	Very low	128 Å²	128	139 Å²	139	83%	0.831	77%	0.774	S	S	*	*				-107.2	108.2	129.9	32	-24.9	0	0	0	108.2
260	C	22.6	Very low	27	Very low	99 Å²	99	143.8 Å²	143.8	67%	0.669	78%	0.779	S	S	*	*				77.1	98.4	65.8	-165.2	0	0	0	0	114.4	I258	I258-C260 HydrophobicContact CG2-CB 4.45Å; I258-C260 VanDerWaalsContact CG2-N 3.33Å
261	S	27.9	Very low	27	Very low	91 Å²	91	144.2 Å²	144.2	64%	0.636	78%	0.783	S	S	*	*			trans	48.7	121.8	150.7	78.1	0	0	0	0	120.6
262	K	30.4	Very low	27.1	Very low	188 Å²	188	144.1 Å²	144.1	82%	0.817	78%	0.779	S	S	*	*				175.1	107.2	97.4	-91.7	165.2	-173	176.8	0	110.1
263	Y	36.8	Very low	27.3	Very low	236 Å²	236	147.2 Å²	147.2	93%	0.925	79%	0.787	S	S	*	*			trans	171.4	58.6	141.9	-104.5	-74.9	0	0	0	109.8	Q265	Y263-Q265 PolarHBondContact O-N 3.05Å
264	T	28.9	Very low	27.3	Very low	137 Å²	137	142.3 Å²	142.3	84%	0.84	79%	0.785	S	S	*	*			trans	-82.6	101.8	166.7	44.9	0	0	0	0	109.4
265	Q	34.4	Very low	27.4	Very low	168 Å²	168	145.2 Å²	145.2	79%	0.785	79%	0.79	S	S	*	*			trans	-144.4	85.4	146.8	-165.4	149.6	-1.1	0	0	110.2	Y263 H267	Y263-Q265 PolarHBondContact O-N 3.05Å; Q265-H267 PolarHBondContact O-N 3.01Å
266	C	23.7	Very low	27.8	Very low	107 Å²	107	148.7 Å²	148.7	72%	0.723	80%	0.795	S	S	*	*			trans	-62.5	113.9	167.9	-58.7	0	0	0	0	109.1	L268	C266-L268 VanDerWaalsContact C-N 3.27Å; C266-L268 HydrophobicContact CB-CD1 4.33Å; C266-L268 PolarHBondContact O-N 3.04Å
267	H	29.9	Very low	27.8	Very low	178 Å²	178	151.9 Å²	151.9	82%	0.824	80%	0.799	S	S	*	*			trans	-87.9	74.4	160.1	-124.9	-79.7	0	0	0	109	Q265	Q265-H267 PolarHBondContact O-N 3.01Å
268	L	23.7	Very low	28	Very low	148 Å²	148	148.7 Å²	148.7	78%	0.775	80%	0.795	S	S	*	*			trans	-77.3	123	158.5	-101.8	129.9	0	0	0	107.7	C266	C266-L268 VanDerWaalsContact C-N 3.27Å; C266-L268 HydrophobicContact CB-CD1 4.33Å; C266-L268 PolarHBondContact O-N 3.04Å
269	C	26.2	Very low	28.2	Very low	112 Å²	112	149.9 Å²	149.9	76%	0.757	80%	0.802	S	S	*	*			trans	177.5	153.4	136.7	-103.7	0	0	0	0	112.4
270	Y	28.2	Very low	28.2	Very low	199 Å²	199	152.3 Å²	152.3	78%	0.78	80%	0.803	S	S	*	*			trans	61.9	83.4	170	-80.2	-82.9	0	0	0	118.3
271	M	28.2	Very low	28.6	Very low	185 Å²	185	155.9 Å²	155.9	91%	0.911	81%	0.809	S	S	*	*				-141.4	121.1	95.6	-82.4	-55.5	170.7	0	0	109.9
272	Q	26.9	Very low	28.8	Very low	168 Å²	168	154.8 Å²	154.8	79%	0.785	81%	0.812	S	S	*	*			trans	-112.6	166.9	166.5	-101.6	176	-39.4	0	0	108.7
273	D	28.2	Very low	29	Very low	169 Å²	169	150.8 Å²	150.8	90%	0.904	81%	0.808	S	S	*	*			trans	79.5	101.5	176.3	-58.8	-21.9	0	0	0	117.5
274	G	27.7	Very low	29.4	Very low	75 Å²	75	142.6 Å²	142.6	77%	0.773	78%	0.784	S	S	*	*			trans	-169.6	20.4	177.2	0	0	0	0	0	114.3	K276	G274-K276 PolarHBondContact O-N 3.2Å
275	L	25.8	Very low	30.4	Very low	173 Å²	173	145 Å²	145	91%	0.906	78%	0.782	S	S	*	*			trans	-74	91.6	173.7	-179.6	82.1	0	0	0	109.7
276	K	32.2	Very low	31.3	Very low	195 Å²	195	144.7 Å²	144.7	85%	0.848	77%	0.774	S	S	*	*			trans	-144	134.1	160.7	-65.3	-164.6	-179	-169.3	0	110.9	G274 G278	G274-K276 PolarHBondContact O-N 3.2Å; K276-G278 PolarHBondContact O-N 2.84Å
277	D	27.5	Very low	32.8	Very low	165 Å²	165	141.4 Å²	141.4	88%	0.882	75%	0.751	S	S	*	*			trans	-58.8	131.7	-176.3	-55.8	-85.6	0	0	0	112.6
278	G	28.2	Very low	34.2	Very low	58 Å²	58	139.3 Å²	139.3	60%	0.598	74%	0.741	S	S	*	*			trans	-154	97	172.3	0	0	0	0	0	109.4	K276 Q280	K276-G278 PolarHBondContact O-N 2.84Å; G278-Q280 PolarHBondContact O-N 2.05Å
279	L	27.3	Very low	35.5	Very low	168 Å²	168	134 Å²	134	88%	0.88	72%	0.715	S	S	*	*			trans	-65.8	69.4	159.2	-88.2	77.1	0	0	0	108.9	H281	L279-H281 PolarHBondContact O-N 3.44Å
280	Q	27.1	Very low	37.2	Very low	180 Å²	180	132.4 Å²	132.4	84%	0.841	70%	0.702	S	S	*	*			trans	-82.5	94.3	157.7	-64.7	-164	25.5	0	0	105.9	G278 G282	G278-Q280 PolarHBondContact O-N 2.05Å; Q280-G282 PolarHBondContact O-N 2.79Å
281	H	32.1	Very low	38	Very low	173 Å²	173	128 Å²	128	80%	0.801	69%	0.691	S	S	*	*			trans	-49.4	101.5	152.8	-87.6	-77.8	0	0	0	106.8	L279 S283	L279-H281 PolarHBondContact O-N 3.44Å; H281-S283 PolarHBondContact O-N 2.93Å
282	G	30.9	Very low	38.7	Very low	68 Å²	68	121 Å²	121	70%	0.701	66%	0.66	S	S	*	*			trans	-58	106.1	171.5	0	0	0	0	0	107	Q280	Q280-G282 PolarHBondContact O-N 2.79Å
283	S	34.5	Very low	39.4	Very low	104 Å²	104	119.8 Å²	119.8	73%	0.727	65%	0.648	S	S	*	*			trans	-49.3	120.1	178.4	-75.2	0	0	0	0	107.9	H281 K285	H281-S283 PolarHBondContact O-N 2.93Å; S283-K285 PolarHBondContact O-N 3.07Å
284	P	46.3	Very low	40.3	Very low	65 Å²	65	115.3 Å²	115.3	42%	0.422	62%	0.622	S	S	.	*			trans	-58.2	121.3	-174.7	20.7	-31.7	0	0	0	108.2	R286 Y539	P284-R286 PolarHBondContact O-N 3.21Å; P284-Y539 HydrophobicContact CB-CD1 3.86Å; P284-Y539 HydrophobicContact CB-CE1 4.37Å; P284-Y539 HydrophobicContact CG-CD1 3.97Å; P284-Y539 HydrophobicContact CG-CE1 4Å
285	K	49.1	Very low	40.9	Very low	186 Å²	186	118.8 Å²	118.8	81%	0.809	62%	0.618	S	S	*	*			trans	-63.6	96.3	-175.6	-71.1	-178.2	-179.5	175.8	0	108.7	S283 T287	S283-K285 PolarHBondContact O-N 3.07Å; K285-T287 PolarHBondContact O-N 3.12Å
286	R	53	Low	41.6	Very low	163 Å²	163	113.5 Å²	113.5	62%	0.615	59%	0.59	S	S	*	*			trans	-66.2	105.6	176.6	-67.5	178.7	178.4	174.6	0.1	108.7	P284	P284-R286 PolarHBondContact O-N 3.21Å
287	T	56.4	Low	42.2	Very low	37 Å²	37	108.1 Å²	108.1	23%	0.227	57%	0.573	C	S	.	*	P	Polyproline II helix	trans	-78.2	128.7	169.1	42.5	0	0	0	0	109.6	K285 C538 P540	K285-T287 PolarHBondContact O-N 3.12Å; T287-C538 PolarHBondContact OG1-SG 3.06Å; T287-P540 HydrophobicContact CG2-CG 4.2Å
288	H	59.9	Low	42.6	Very low	134 Å²	134	105.2 Å²	105.2	62%	0.62	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-75.8	141.2	170.7	-78.6	-96.8	0	0	0	110.4
289	V	50.1	Low	43.3	Very low	36 Å²	36	104.8 Å²	104.8	22%	0.218	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-78.3	125.1	169.5	169	0	0	0	0	108.5	V509 Y521 D532	V289-V509 HydrophobicContact CG1-CG1 4.05Å; V289-V509 HydrophobicContact CG2-CG1 4.25Å; V289-Y521 HydrophobicContact CG2-CE1 3.94Å; V289-Y521 VanDerWaalsContact CG2-OH 3.31Å; V289-Y521 WeakPolarHBondContact CG2-OH 3.45Å; V289-D532 HydrophobicContact CB-CB 4.35Å
290	T	61.1	Low	43.8	Very low	79 Å²	79	103.8 Å²	103.8	49%	0.485	55%	0.545	S	S	.	.	B	Isolated β-bridge	trans	-116.5	131.8	173.9	-55.3	0	0	0	0	109.8	V510	T290-V510 PolarHBondContact O-N 3.13Å
291	L	46.3	Very low	44.4	Very low	108 Å²	108	101.9 Å²	101.9	57%	0.565	53%	0.534	S	S	*	.			trans	-95.1	148	167.4	-57.1	-177.8	0	0	0	109.1	V507 R508	L291-V507 HydrophobicContact CD1-CG1 4.41Å; L291-V507 HydrophobicContact CD2-CG1 3.9Å; L291-R508 VanDerWaalsContact CD2-O 3.29Å; L291-R508 WeakPolarHBondContact CD2-O 3.09Å
292	S	42	Very low	44.6	Very low	36 Å²	36	103.1 Å²	103.1	25%	0.252	53%	0.532	S	S	.	.			trans	-143.4	147.1	-178.4	47	0	0	0	0	111.4	R508	S292-R508 PolarHBondContact OG-NE 3.05Å; S292-R508 PolarHBondContact OG-NH1 3.06Å; S292-R508 PolarHBondContact OG-NH2 2.73Å
293	R	41.3	Very low	44.7	Very low	143 Å²	143	108.9 Å²	108.9	54%	0.54	54%	0.537	S	S	.	.			trans	-134.2	141.9	-164.6	-179.2	174.9	160.8	103.4	2.5	110.6	E505	R293-E505 WeakPolarHBondContact CB-OE1 3.46Å; R293-E505 VanDerWaalsContact CD-OE1 3.31Å; R293-E505 WeakPolarHBondContact CD-OE1 3.16Å; R293-E505 HydrophobicContact CG-CG 4.09Å; R293-E505 WeakPolarHBondContact CG-OE1 3.4Å; R293-E505 IonicContact CZ-OE2 3.77Å; R293-E505 IonicContact NH1-OE2 3.23Å; R293-E505 PolarHBondContact NH1-OE2 3.29Å
294	E	48.1	Very low	44.8	Very low	75 Å²	75	105.5 Å²	105.5	35%	0.35	52%	0.516	S	S	.	.			trans	-124.5	154.2	-178.7	-68.7	171.5	-134.7	0	0	110.4	R508	E294-R508 IonicContact OE1-NH1 3.78Å; E294-R508 PolarHBondContact OE1-NH1 3.06Å
295	H	39.8	Very low	43.9	Very low	149 Å²	149	107 Å²	107	69%	0.69	53%	0.534	S	S	*	.			trans	-111	137.7	-167.8	-76.1	-99.1	0	0	0	113.8
296	I	41.5	Very low	43.1	Very low	62 Å²	62	102.9 Å²	102.9	32%	0.318	52%	0.524	S	S	.	.			trans	-91.8	140.5	170.9	-59.7	171.4	0	0	0	109.3	P467 V479	I296-P467 HydrophobicContact CG2-CB 3.77Å; I296-V479 HydrophobicContact CD1-CG1 4.39Å; I296-V479 HydrophobicContact CD1-CG2 4.1Å; I296-V479 HydrophobicContact CG1-CG2 4.2Å; I296-V479 HydrophobicContact CG2-CG2 4.23Å
297	V	43.6	Very low	41.7	Very low	82 Å²	82	100.7 Å²	100.7	50%	0.497	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-111.4	127.1	178.6	-179.1	0	0	0	0	110.4
298	S	36.8	Very low	40.2	Very low	104 Å²	104	104.4 Å²	104.4	73%	0.727	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-101	148.2	176	-68.9	0	0	0	0	111.9
299	L	41.7	Very low	38.7	Very low	48 Å²	48	102.6 Å²	102.6	25%	0.251	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-96.2	141.3	-170.2	-145.5	100.3	0	0	0	113.9	L442 Q443 A444 F454 F468	L299-L442 HydrophobicContact CD1-CD2 4.11Å; L299-L442 HydrophobicContact CD2-CD1 4.21Å; L299-L442 HydrophobicContact CD2-CD2 3.51Å; L299-L442 HydrophobicContact CD2-CG 3.54Å; L299-L442 HydrophobicContact CG-CD2 4.47Å; L299-Q443 WeakPolarHBondContact CD1-O 3.49Å; L299-A444 HydrophobicContact CD1-CB 3.65Å; L299-F454 HydrophobicContact CD1-CE1 4.5Å; L299-F454 HydrophobicContact CD1-CZ 4.39Å; L299-F468 HydrophobicContact CB-CE1 4.31Å; L299-F468 HydrophobicContact CD1-CE1 3.52Å; L299-F468 HydrophobicContact CD1-CZ 3.56Å
300	N	39.3	Very low	37.4	Very low	148 Å²	148	107.4 Å²	107.4	79%	0.791	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-96.5	122	166.3	-76.5	-22.2	0	0	0	110.5
301	K	38.6	Very low	35.9	Very low	139 Å²	139	111 Å²	111	60%	0.604	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-82.6	138.1	173.1	-63.4	-170.5	179.1	-161.9	0	110.9	D464	K301-D464 WeakPolarHBondContact CE-OD1 3.45Å; K301-D464 IonicContact NZ-OD1 2.82Å; K301-D464 PolarHBondContact NZ-OD1 2.93Å; K301-D464 IonicContact NZ-OD2 2.66Å; K301-D464 PolarHBondContact NZ-OD2 2.97Å
302	R	35.6	Very low	35	Very low	199 Å²	199	113.3 Å²	113.3	75%	0.751	61%	0.61	S	S	*	*			trans	-127.4	138.7	163.6	-70.5	-177.7	174.9	175.6	-1.8	108.6
303	K	33.2	Very low	34.2	Very low	189 Å²	189	120.1 Å²	120.1	82%	0.822	64%	0.638	S	S	*	*			trans	-79.1	143.1	164.7	-70	-177.6	175.5	-177.1	0	108
304	A	36.6	Very low	33.5	Very low	33 Å²	33	118.3 Å²	118.3	27%	0.273	65%	0.645	S	S	.	*			trans	-62	142.2	157.7	0	0	0	0	0	108.3	V306 A439	A304-V306 VanDerWaalsContact C-N 3.31Å; A304-V306 PolarHBondContact O-N 3.31Å; A304-A439 VanDerWaalsContact CB-O 3.29Å; A304-A439 WeakPolarHBondContact CB-O 3.34Å
305	A	28.4	Very low	32.5	Very low	98 Å²	98	120.5 Å²	120.5	81%	0.81	67%	0.666	S	S	*	*			trans	-77.3	81.6	-178.2	0	0	0	0	0	110.4
306	V	31.3	Very low	31.8	Very low	98 Å²	98	119.8 Å²	119.8	59%	0.594	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-95.8	121.6	172	-176.3	0	0	0	0	108.9	A304 S308	A304-V306 VanDerWaalsContact C-N 3.31Å; A304-V306 PolarHBondContact O-N 3.31Å; V306-S308 PolarHBondContact O-N 2.81Å
307	P	25.3	Very low	31.3	Very low	118 Å²	118	122.2 Å²	122.2	77%	0.766	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-67.2	118.3	169.3	-17.2	31.4	0	0	0	110.1	P309	P307-P309 WeakPolarHBondContact O-CD 3.45Å
308	S	23.8	Very low	30.7	Very low	115 Å²	115	126 Å²	126	80%	0.804	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-64.2	122.8	-179.8	-50	0	0	0	0	112.1	V306	V306-S308 PolarHBondContact O-N 2.81Å
309	P	27.5	Very low	30.2	Very low	95 Å²	95	124.4 Å²	124.4	62%	0.617	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-76.2	129.7	167.9	-9.3	26.6	0	0	0	110.1	P307 F311	P307-P309 WeakPolarHBondContact O-CD 3.45Å; P309-F311 HydrophobicContact CB-CD2 4.22Å; P309-F311 HydrophobicContact CB-CE2 3.96Å; P309-F311 HydrophobicContact CG-CE2 4.31Å; P309-F311 PolarHBondContact O-N 3.2Å
310	T	24.4	Very low	29.8	Very low	137 Å²	137	128.6 Å²	128.6	84%	0.84	74%	0.741	S	S	*	*			trans	-76.9	100.5	170.3	45.3	0	0	0	0	110.2	N312	T310-N312 PolarHBondContact O-N 3.48Å
311	F	29.1	Very low	29	Very low	154 Å²	154	128 Å²	128	68%	0.675	74%	0.738	S	S	*	*			trans	-79.8	111.5	170.8	-80.5	-93.8	0	0	0	111	P309	P309-F311 HydrophobicContact CB-CD2 4.22Å; P309-F311 HydrophobicContact CB-CE2 3.96Å; P309-F311 HydrophobicContact CG-CE2 4.31Å; P309-F311 PolarHBondContact O-N 3.2Å
312	N	27.4	Very low	28.7	Very low	157 Å²	157	129.2 Å²	129.2	84%	0.84	75%	0.746	S	S	*	*			trans	-98.3	101.4	157.9	-79.1	-33.3	0	0	0	107.5	T310 P314	T310-N312 PolarHBondContact O-N 3.48Å; N312-P314 WeakPolarHBondContact O-CD 3.06Å
313	E	25.6	Very low	28.2	Very low	179 Å²	179	125 Å²	125	84%	0.836	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-82.8	124.7	171.7	-74.9	-164.5	120.2	0	0	111.5
314	P	25.2	Very low	27.8	Very low	105 Å²	105	120.9 Å²	120.9	68%	0.682	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-89.8	135.1	157.9	33.7	-28.8	0	0	0	110.2	N312 C316	N312-P314 WeakPolarHBondContact O-CD 3.06Å; P314-C316 PolarHBondContact O-N 3.34Å
315	P	28.3	Very low	27.5	Very low	122 Å²	122	126 Å²	126	79%	0.792	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-72.8	124.9	-176.9	27.8	-34	0	0	0	112.7	S317	P315-S317 PolarHBondContact O-N 3.06Å
316	C	24.3	Very low	27.3	Very low	133 Å²	133	124.6 Å²	124.6	90%	0.899	76%	0.759	S	S	*	*			trans	-74.1	91.6	175.3	-76.6	0	0	0	0	112.4	P314	P314-C316 PolarHBondContact O-N 3.34Å
317	S	31.6	Very low	27.3	Very low	113 Å²	113	127.1 Å²	127.1	79%	0.79	78%	0.775	S	S	*	*			trans	-102	107.3	164.6	-70.5	0	0	0	0	110.1	P315 G319	P315-S317 PolarHBondContact O-N 3.06Å; S317-G319 PolarHBondContact O-N 3.13Å
318	I	30.8	Very low	27.4	Very low	162 Å²	162	127.5 Å²	127.5	83%	0.831	78%	0.775	S	S	*	*			trans	-73.4	97.6	177.4	-62.9	165.8	0	0	0	108.8
319	G	26.2	Very low	27.8	Very low	70 Å²	70	127.5 Å²	127.5	72%	0.722	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-90.3	126	163.9	0	0	0	0	0	109.9	S317	S317-G319 PolarHBondContact O-N 3.13Å
320	V	32.8	Very low	28.5	Very low	136 Å²	136	128.7 Å²	128.7	82%	0.824	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-103.8	123.7	167.6	-95.7	0	0	0	0	109.2
321	D	22.9	Very low	29.2	Very low	137 Å²	137	130.5 Å²	130.5	73%	0.733	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.2	145.3	174.8	-67.1	-66.1	0	0	0	111.9
322	H	31.8	Very low	29.8	Very low	164 Å²	164	130.7 Å²	130.7	76%	0.759	79%	0.794	S	S	*	*				179.1	116	99.4	-98.3	-68.8	0	0	0	114.2
323	T	26.4	Very low	30.7	Very low	109 Å²	109	131.1 Å²	131.1	67%	0.669	79%	0.791	S	S	*	*			trans	37.2	109.9	132.5	51.2	0	0	0	0	120.8
324	S	25	Very low	32.4	Very low	104 Å²	104	127.5 Å²	127.5	73%	0.727	78%	0.781	S	S	*	*				44	123.3	125.4	67.4	0	0	0	0	121
325	V	28.7	Very low	34.5	Very low	141 Å²	141	127.1 Å²	127.1	86%	0.855	77%	0.773	S	S	*	*				177.4	138.4	96.1	158.4	0	0	0	0	106.9
326	G	25.7	Very low	36.8	Very low	67 Å²	67	125.9 Å²	125.9	69%	0.691	76%	0.76	S	S	*	*			trans	-91.4	161.2	-169.2	0	0	0	0	0	115.6
327	V	31.1	Very low	39.4	Very low	152 Å²	152	125.1 Å²	125.1	92%	0.921	75%	0.746	S	S	*	*			trans	-139.7	139.4	153	178.9	0	0	0	0	107.7
328	T	26.6	Very low	41.6	Very low	126 Å²	126	127 Å²	127	77%	0.773	74%	0.736	S	S	*	*			trans	-91.6	144.5	-180	43	0	0	0	0	113.1
329	S	31.6	Very low	44.2	Very low	114 Å²	114	123.6 Å²	123.6	80%	0.797	72%	0.72	S	S	*	*			trans	128.1	156.3	159.9	-57.1	0	0	0	0	113.1
330	P	42.9	Very low	46.9	Very low	121 Å²	121	127.8 Å²	127.8	79%	0.786	71%	0.713	S	S	*	*				-128.9	149.4	-71.7	29.4	-10.5	0	0	0	115.3	L332	P330-L332 PolarHBondContact O-N 3.06Å
331	L	39.9	Very low	49.3	Very low	175 Å²	175	127.6 Å²	127.6	92%	0.916	71%	0.707	S	S	*	*			trans	-8.9	96.4	167.2	-63.8	169.1	0	0	0	119.2
332	L	41.4	Very low	52.3	Low	158 Å²	158	126.6 Å²	126.6	83%	0.827	70%	0.696	S	S	*	*			trans	-155.2	9.1	155.9	-108.8	176	0	0	0	116.6	P330	P330-L332 PolarHBondContact O-N 3.06Å
333	E	45.2	Very low	54.9	Low	166 Å²	166	126.6 Å²	126.6	78%	0.776	69%	0.694	S	S	*	*			trans	-95.2	4.8	-169.5	-64.6	-169.8	142.8	0	0	116.7	D335	E333-D335 VanDerWaalsContact C-N 3.34Å; E333-D335 PolarHBondContact O-N 2.92Å
334	T	62.9	Low	57.4	Low	102 Å²	102	125.6 Å²	125.6	63%	0.626	69%	0.69	S	S	*	*	H	α-helix	trans	-70.1	-24.1	-170.5	48.1	0	0	0	0	115.4
335	D	68	Low	60	Low	98 Å²	98	124.3 Å²	124.3	52%	0.524	68%	0.681	S	S	.	*	H	α-helix	trans	-83.5	-35.1	-175.1	-71.4	-39.3	0	0	0	113.3	E333 L337 R338 D339	E333-D335 VanDerWaalsContact C-N 3.34Å; E333-D335 PolarHBondContact O-N 2.92Å; D335-L337 PolarHBondContact O-N 3.45Å; D335-R338 WeakPolarHBondContact O-CB 3.42Å; D335-R338 PolarHBondContact O-N 3.18Å; D335-R338 VanDerWaalsContact O-N 3.17Å; D335-D339 PolarHBondContact O-N 3.32Å
336	D	76.9	Confident	62.6	Low	95 Å²	95	120.7 Å²	120.7	51%	0.508	67%	0.667	S	S	.	*	H	α-helix	trans	-61.6	-43.1	176.4	-178.3	66.5	0	0	0	111.6	R338 D339 R340	D336-R338 VanDerWaalsContact C-N 3.3Å; D336-R338 PolarHBondContact O-N 3.14Å; D336-D339 PolarHBondContact O-N 3.22Å; D336-R340 WeakPolarHBondContact O-CB 3.45Å; D336-R340 VanDerWaalsContact O-CG 3.28Å; D336-R340 WeakPolarHBondContact O-CG 3.29Å; D336-R340 PolarHBondContact O-N 3.37Å; D336-R340 WeakPolarHBondContact OD2-CD 3.38Å; D336-R340 IonicContact OD2-NE 3.7Å; D336-R340 IonicContact OD2-NH1 3.84Å; D336-R340 PolarHBondContact OD2-NH1 3.33Å
337	L	78.4	Confident	65.1	Low	118 Å²	118	126.6 Å²	126.6	62%	0.618	67%	0.668	S	S	*	*	H	α-helix	trans	-59.2	-40.2	175.4	-79.3	166.8	0	0	0	112.3	D335 L341	D335-L337 PolarHBondContact O-N 3.45Å; L337-L341 WeakPolarHBondContact O-CB 3.34Å; L337-L341 PolarHBondContact O-N 2.8Å
338	R	79.2	Confident	67.4	Low	152 Å²	152	127.2 Å²	127.2	57%	0.574	65%	0.654	S	S	*	*	H	α-helix	trans	-67.9	-41.9	179.4	-173	-179.6	-69.6	172.5	-2.2	111.4	D335 D336 L341 K342	D335-R338 WeakPolarHBondContact O-CB 3.42Å; D335-R338 PolarHBondContact O-N 3.18Å; D335-R338 VanDerWaalsContact O-N 3.17Å; D336-R338 VanDerWaalsContact C-N 3.3Å; D336-R338 PolarHBondContact O-N 3.14Å; R338-L341 PolarHBondContact O-N 2.97Å; R338-K342 WeakPolarHBondContact O-CG 3.38Å; R338-K342 PolarHBondContact O-N 3.2Å; R338-K342 VanDerWaalsContact O-N 3.07Å
339	D	84.3	Confident	69.7	Low	91 Å²	91	122.9 Å²	122.9	49%	0.487	64%	0.635	S	S	.	*	H	α-helix	trans	-74.1	-32.6	178.7	-83	-1	0	0	0	112.7	D335 D336 K342 K343	D335-D339 PolarHBondContact O-N 3.32Å; D336-D339 PolarHBondContact O-N 3.22Å; D339-K342 PolarHBondContact O-N 3.33Å; D339-K342 WeakPolarHBondContact OD1-CD 3.43Å; D339-K342 IonicContact OD1-NZ 3.79Å; D339-K342 PolarHBondContact OD1-NZ 2.9Å; D339-K343 WeakPolarHBondContact O-CB 3.37Å; D339-K343 PolarHBondContact O-N 2.84Å
340	R	83.2	Confident	71.8	Confident	157 Å²	157	122.6 Å²	122.6	59%	0.592	62%	0.62	S	S	*	*	H	α-helix	trans	-62.8	-40.7	169.2	-72.1	170.3	77.5	174.2	5.4	111.8	D336 K343 C344	D336-R340 WeakPolarHBondContact O-CB 3.45Å; D336-R340 VanDerWaalsContact O-CG 3.28Å; D336-R340 WeakPolarHBondContact O-CG 3.29Å; D336-R340 PolarHBondContact O-N 3.37Å; D336-R340 WeakPolarHBondContact OD2-CD 3.38Å; D336-R340 IonicContact OD2-NE 3.7Å; D336-R340 IonicContact OD2-NH1 3.84Å; D336-R340 PolarHBondContact OD2-NH1 3.33Å; R340-K343 PolarHBondContact O-N 3.41Å; R340-C344 PolarHBondContact O-N 3.02Å; R340-C344 PolarHBondContact O-SG 3.22Å
341	L	82.3	Confident	73.2	Confident	133 Å²	133	122 Å²	122	70%	0.696	61%	0.61	S	S	*	*	H	α-helix	trans	-63.4	-45.8	175.1	-171.9	67.1	0	0	0	112.2	L337 R338 K343 C344 S345	L337-L341 WeakPolarHBondContact O-CB 3.34Å; L337-L341 PolarHBondContact O-N 2.8Å; R338-L341 PolarHBondContact O-N 2.97Å; L341-K343 VanDerWaalsContact C-N 3.32Å; L341-K343 PolarHBondContact O-N 3.04Å; L341-C344 PolarHBondContact O-N 3.42Å; L341-S345 PolarHBondContact O-N 3Å
342	K	86.2	Confident	74.7	Confident	115 Å²	115	118.4 Å²	118.4	50%	0.5	59%	0.588	S	S	.	*	H	α-helix	trans	-59.5	-40.3	173.7	-69.3	174	-166.8	156.9	0	112.3	R338 D339 C344 S345 A346	R338-K342 WeakPolarHBondContact O-CG 3.38Å; R338-K342 PolarHBondContact O-N 3.2Å; R338-K342 VanDerWaalsContact O-N 3.07Å; D339-K342 PolarHBondContact O-N 3.33Å; D339-K342 WeakPolarHBondContact OD1-CD 3.43Å; D339-K342 IonicContact OD1-NZ 3.79Å; D339-K342 PolarHBondContact OD1-NZ 2.9Å; K342-C344 VanDerWaalsContact C-N 3.34Å; K342-C344 PolarHBondContact O-N 2.96Å; K342-S345 PolarHBondContact O-N 3.43Å; K342-S345 PolarHBondContact O-OG 3.18Å; K342-A346 WeakPolarHBondContact O-CB 3.08Å; K342-A346 PolarHBondContact O-N 2.94Å
343	K	87.3	Confident	76.2	Confident	165 Å²	165	117.8 Å²	117.8	72%	0.717	58%	0.579	S	S	*	*	H	α-helix	trans	-66.6	-36.2	179.4	-161	168.4	-171.7	171.2	0	111.7	D339 R340 L341 R347	D339-K343 WeakPolarHBondContact O-CB 3.37Å; D339-K343 PolarHBondContact O-N 2.84Å; R340-K343 PolarHBondContact O-N 3.41Å; L341-K343 VanDerWaalsContact C-N 3.32Å; L341-K343 PolarHBondContact O-N 3.04Å; K343-R347 WeakPolarHBondContact O-CB 3.45Å; K343-R347 PolarHBondContact O-N 2.94Å
344	C	77.6	Confident	77.2	Confident	87 Å²	87	116 Å²	116	59%	0.588	57%	0.569	S	S	*	*	H	α-helix	trans	-67.5	-43.4	173	-75.1	0	0	0	0	112.9	R340 L341 K342 R347 R348	R340-C344 PolarHBondContact O-N 3.02Å; R340-C344 PolarHBondContact O-SG 3.22Å; L341-C344 PolarHBondContact O-N 3.42Å; K342-C344 VanDerWaalsContact C-N 3.34Å; K342-C344 PolarHBondContact O-N 2.96Å; C344-R347 PolarHBondContact O-N 3.22Å; C344-R348 PolarHBondContact O-N 3.13Å; C344-R348 VanDerWaalsContact O-N 3.1Å
345	S	80.3	Confident	77.2	Confident	77 Å²	77	115.9 Å²	115.9	54%	0.538	56%	0.563	S	S	.	*	H	α-helix	trans	-67.3	-40.8	179.3	65	0	0	0	0	112.5	L341 K342 R347 R348 G349	L341-S345 PolarHBondContact O-N 3Å; K342-S345 PolarHBondContact O-N 3.43Å; K342-S345 PolarHBondContact O-OG 3.18Å; S345-R347 VanDerWaalsContact C-N 3.34Å; S345-R347 PolarHBondContact O-N 3.21Å; S345-R348 PolarHBondContact O-N 3.47Å; S345-G349 PolarHBondContact O-N 3.33Å
346	A	82.6	Confident	76.5	Confident	66 Å²	66	115 Å²	115	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-58.8	-44.1	173.9	0	0	0	0	0	112.1	K342 R348 G349 E350	K342-A346 WeakPolarHBondContact O-CB 3.08Å; K342-A346 PolarHBondContact O-N 2.94Å; A346-R348 VanDerWaalsContact C-N 3.34Å; A346-R348 PolarHBondContact O-N 2.91Å; A346-G349 PolarHBondContact O-N 2.82Å; A346-E350 PolarHBondContact O-N 3.49Å; A346-E350 VanDerWaalsContact O-N 3.08Å
347	R	79.5	Confident	75.3	Confident	190 Å²	190	118.6 Å²	118.6	72%	0.717	58%	0.576	S	S	*	*	H	α-helix	trans	-65.3	-35.7	179.4	-150.9	176.3	-165	-169	3.3	112.3	K343 C344 S345 I351	K343-R347 WeakPolarHBondContact O-CB 3.45Å; K343-R347 PolarHBondContact O-N 2.94Å; C344-R347 PolarHBondContact O-N 3.22Å; S345-R347 VanDerWaalsContact C-N 3.34Å; S345-R347 PolarHBondContact O-N 3.21Å; R347-I351 WeakPolarHBondContact O-CG1 3.18Å; R347-I351 PolarHBondContact O-N 3.48Å
348	R	78.3	Confident	73.8	Confident	165 Å²	165	120.6 Å²	120.6	62%	0.623	58%	0.576	S	S	*	*	H	α-helix	trans	-63.9	-49.4	173	178.9	178.7	174	161.6	1.4	111.9	C344 S345 A346 E350 I351 E352	C344-R348 PolarHBondContact O-N 3.13Å; C344-R348 VanDerWaalsContact O-N 3.1Å; S345-R348 PolarHBondContact O-N 3.47Å; A346-R348 VanDerWaalsContact C-N 3.34Å; A346-R348 PolarHBondContact O-N 2.91Å; R348-E350 PolarHBondContact O-N 3.38Å; R348-I351 WeakPolarHBondContact O-CB 3.28Å; R348-I351 PolarHBondContact O-N 3.47Å; R348-I351 VanDerWaalsContact O-N 3.09Å; R348-E352 IonicContact CZ-OE1 2.7Å; R348-E352 IonicContact NE-OE1 2.62Å; R348-E352 PolarHBondContact NE-OE1 3.4Å; R348-E352 IonicContact NH2-OE1 3.09Å; R348-E352 PolarHBondContact NH2-OE1 2.9Å; R348-E352 PolarHBondContact O-N 2.82Å
349	G	74.6	Confident	72.2	Confident	36 Å²	36	119.7 Å²	119.7	37%	0.371	58%	0.582	S	S	.	*	H	α-helix	trans	-60.8	-33.6	178.7	0	0	0	0	0	113.1	S345 A346 K353	S345-G349 PolarHBondContact O-N 3.33Å; A346-G349 PolarHBondContact O-N 2.82Å; G349-K353 WeakPolarHBondContact O-CB 3.32Å; G349-K353 PolarHBondContact O-N 3.09Å
350	E	77.6	Confident	70.5	Confident	107 Å²	107	120.4 Å²	120.4	50%	0.5	59%	0.59	S	S	.	*	H	α-helix	trans	-71.6	-34.8	174.7	-154.3	-169.8	141.4	0	0	112.9	A346 R348 K354	A346-E350 PolarHBondContact O-N 3.49Å; A346-E350 VanDerWaalsContact O-N 3.08Å; R348-E350 PolarHBondContact O-N 3.38Å; E350-K354 HydrophobicContact CG-CD 4.46Å; E350-K354 WeakPolarHBondContact O-CB 3.32Å; E350-K354 WeakPolarHBondContact O-CG 3.33Å; E350-K354 PolarHBondContact O-N 3.34Å; E350-K354 VanDerWaalsContact OE1-CE 3.3Å; E350-K354 WeakPolarHBondContact OE1-CE 3.43Å; E350-K354 IonicContact OE1-NZ 3.01Å; E350-K354 PolarHBondContact OE1-NZ 3.24Å
351	I	71.1	Confident	68.8	Low	109 Å²	109	117.7 Å²	117.7	56%	0.559	60%	0.601	S	S	*	*	H	α-helix	trans	-65.3	-46.7	172.4	-69.1	164.3	0	0	0	110.3	R347 R348 K353 K354 L355	R347-I351 WeakPolarHBondContact O-CG1 3.18Å; R347-I351 PolarHBondContact O-N 3.48Å; R348-I351 WeakPolarHBondContact O-CB 3.28Å; R348-I351 PolarHBondContact O-N 3.47Å; R348-I351 VanDerWaalsContact O-N 3.09Å; I351-K353 VanDerWaalsContact C-N 3.34Å; I351-K353 PolarHBondContact O-N 2.92Å; I351-K354 CarbonylContact O-C 3.52Å; I351-K354 PolarHBondContact O-N 2.84Å; I351-K354 VanDerWaalsContact O-N 3.16Å; I351-L355 WeakPolarHBondContact O-CB 3.16Å; I351-L355 PolarHBondContact O-N 3.28Å
352	E	72.4	Confident	67.9	Low	99 Å²	99	115.7 Å²	115.7	46%	0.463	59%	0.585	S	S	.	*	H	α-helix	trans	-60	-42.5	176.6	-72.7	170.1	-174.8	0	0	111.2	R348 K354 L355 S356	R348-E352 IonicContact CZ-OE1 2.7Å; R348-E352 IonicContact NE-OE1 2.62Å; R348-E352 PolarHBondContact NE-OE1 3.4Å; R348-E352 IonicContact NH2-OE1 3.09Å; R348-E352 PolarHBondContact NH2-OE1 2.9Å; R348-E352 PolarHBondContact O-N 2.82Å; E352-K354 PolarHBondContact O-N 2.85Å; E352-L355 WeakPolarHBondContact O-CB 3.5Å; E352-L355 PolarHBondContact O-N 2.98Å; E352-L355 VanDerWaalsContact O-N 3.14Å; E352-S356 PolarHBondContact O-N 3.01Å
353	K	71.6	Confident	67.3	Low	145 Å²	145	111.7 Å²	111.7	63%	0.63	58%	0.576	S	S	*	*	H	α-helix	trans	-68.9	-28.3	175.4	-167.8	172.3	-174.5	174.2	0	113.9	G349 I351	G349-K353 WeakPolarHBondContact O-CB 3.32Å; G349-K353 PolarHBondContact O-N 3.09Å; I351-K353 VanDerWaalsContact C-N 3.34Å; I351-K353 PolarHBondContact O-N 2.92Å
354	K	67.1	Low	66.9	Low	130 Å²	130	109.1 Å²	109.1	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-77.8	-24	170.9	-80	168	168.3	165.2	0	112.4	E350 I351 E352	E350-K354 HydrophobicContact CG-CD 4.46Å; E350-K354 WeakPolarHBondContact O-CB 3.32Å; E350-K354 WeakPolarHBondContact O-CG 3.33Å; E350-K354 PolarHBondContact O-N 3.34Å; E350-K354 VanDerWaalsContact OE1-CE 3.3Å; E350-K354 WeakPolarHBondContact OE1-CE 3.43Å; E350-K354 IonicContact OE1-NZ 3.01Å; E350-K354 PolarHBondContact OE1-NZ 3.24Å; I351-K354 CarbonylContact O-C 3.52Å; I351-K354 PolarHBondContact O-N 2.84Å; I351-K354 VanDerWaalsContact O-N 3.16Å; E352-K354 PolarHBondContact O-N 2.85Å
355	L	63.4	Low	67	Low	98 Å²	98	105 Å²	105	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-79.8	-45.3	175.9	-161.5	64	0	0	0	111.4	I351 E352 K357 R358	I351-L355 WeakPolarHBondContact O-CB 3.16Å; I351-L355 PolarHBondContact O-N 3.28Å; E352-L355 WeakPolarHBondContact O-CB 3.5Å; E352-L355 PolarHBondContact O-N 2.98Å; E352-L355 VanDerWaalsContact O-N 3.14Å; L355-K357 PolarHBondContact O-N 3.24Å; L355-K357 VanDerWaalsContact O-N 3.1Å; L355-R358 PolarHBondContact O-N 2.83Å
356	S	52.9	Low	66.7	Low	81 Å²	81	103.1 Å²	103.1	57%	0.566	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.8	-177.9	96.1	0	0	0	0	114.5	E352 R358	E352-S356 PolarHBondContact O-N 3.01Å; S356-R358 VanDerWaalsContact C-N 3.33Å
357	K	51	Low	66.2	Low	169 Å²	169	105.4 Å²	105.4	74%	0.735	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.5	176.1	-74.5	-174.3	174.8	-168	0	113.9	L355 N359	L355-K357 PolarHBondContact O-N 3.24Å; L355-K357 VanDerWaalsContact O-N 3.1Å; K357-N359 PolarHBondContact O-N 2.86Å
358	R	46.9	Very low	66.2	Low	161 Å²	161	99.6 Å²	99.6	61%	0.608	52%	0.518	S	S	*	.			trans	-99.4	61.3	176.8	-70.7	-173.4	-69.2	135.2	-3.5	110.4	L355 S356 T360 Y362	L355-R358 PolarHBondContact O-N 2.83Å; S356-R358 VanDerWaalsContact C-N 3.33Å; R358-T360 PolarHBondContact O-N 3.25Å; R358-Y362 PolarHBondContact O-OH 3.24Å
359	N	45.8	Very low	66	Low	133 Å²	133	98.5 Å²	98.5	71%	0.711	52%	0.519	S	S	*	.			trans	-80.9	50.7	-176.5	-144.6	46.9	0	0	0	112.3	K357 Y362	K357-N359 PolarHBondContact O-N 2.86Å; N359-Y362 PolarHBondContact OD1-OH 3.31Å
360	T	48.4	Very low	66.1	Low	106 Å²	106	98 Å²	98	65%	0.65	52%	0.515	S	S	*	.			trans	-90.7	128.5	173.5	45	0	0	0	0	109.2	R358 Y362	R358-T360 PolarHBondContact O-N 3.25Å; T360-Y362 PolarHBondContact O-N 2.91Å
361	A	48.2	Very low	66	Low	99 Å²	99	99.7 Å²	99.7	82%	0.818	52%	0.522	S	S	*	.			trans	-44.2	125.8	-175.2	0	0	0	0	0	112.9	G363	A361-G363 VanDerWaalsContact C-N 3.3Å; A361-G363 PolarHBondContact O-N 2.77Å
362	Y	63.2	Low	66.2	Low	92 Å²	92	95.3 Å²	95.3	36%	0.361	50%	0.499	S	S	.	.			trans	-83.9	2.3	-162.8	-60.2	-74.3	0	0	0	114.9	R358 N359 T360 L375 L385	R358-Y362 PolarHBondContact O-OH 3.24Å; N359-Y362 PolarHBondContact OD1-OH 3.31Å; T360-Y362 PolarHBondContact O-N 2.91Å; Y362-L375 HydrophobicContact CD1-CD1 3.96Å; Y362-L375 HydrophobicContact CG-CD1 4.14Å; Y362-L385 VanDerWaalsContact O-CD1 3.23Å; Y362-L385 WeakPolarHBondContact O-CD1 3.42Å
363	G	74	Confident	66.3	Low	30 Å²	30	96.3 Å²	96.3	31%	0.309	52%	0.517	S	S	.	.			trans	107.1	177.3	178.7	0	0	0	0	0	114.1	A361 F372	A361-G363 VanDerWaalsContact C-N 3.3Å; A361-G363 PolarHBondContact O-N 2.77Å; G363-F372 WeakPolarHBondContact O-CD2 3.48Å
364	H	79.3	Confident	66.1	Low	112 Å²	112	97.7 Å²	97.7	52%	0.519	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-117.2	150.1	-179.1	-58.6	83.8	0	0	0	110.4	H369 G370 E371 F372	H364-H369 PolarHBondContact CD2-O 2.85Å; H364-G370 WeakPolarHBondContact CA-O 3.41Å; H364-E371 IonicContact NE2-OE1 3.2Å; H364-F372 VanDerWaalsContact C-CE2 3.5Å
365	C	78.4	Confident	65.9	Low	1 Å²	1	96.4 Å²	96.4	1%	0.007	52%	0.517	C	S	.	.	B	Isolated β-bridge	trans	-69	128.1	173.3	176	0	0	0	0	111.3	L367 H369 G370 F372 L385 H387	C365-L367 VanDerWaalsContact C-N 3.25Å; C365-L367 PolarHBondContact O-N 3.14Å; C365-H369 WeakPolarHBondContact O-CA 3Å; C365-H369 PolarHBondContact O-N 3.5Å; C365-G370 PolarHBondContact N-O 2.9Å; C365-F372 HydrophobicContact CB-CE1 4.31Å; C365-F372 HydrophobicContact CB-CZ 3.83Å; C365-L385 CarbonylContact C-O 3.59Å; C365-L385 VanDerWaalsContact CA-O 3.32Å; C365-L385 WeakPolarHBondContact CA-O 3.45Å; C365-H387 VanDerWaalsContact CB-CE1 3.45Å; C365-H387 WeakPolarHBondContact CB-CE1 3.36Å; C365-H387 WeakPolarHBondContact CB-ND1 3.26Å
366	A	74.4	Confident	66.1	Low	37 Å²	37	95.2 Å²	95.2	31%	0.306	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.5	-177.6	0	0	0	0	0	114.8	Y384 L385 F386	A366-Y384 HydrophobicContact CB-CD1 3.96Å; A366-Y384 HydrophobicContact CB-CG 4.23Å; A366-L385 PolarHBondContact N-O 2.72Å; A366-F386 HydrophobicContact CB-CD1 4.28Å; A366-F386 HydrophobicContact CB-CE1 3.73Å; A366-F386 HydrophobicContact CB-CZ 4.15Å
367	L	73	Confident	67.2	Low	113 Å²	113	94.1 Å²	94.1	59%	0.592	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-36.1	-179.6	-78.5	167.8	0	0	0	114.5	C365 F386 C390	C365-L367 VanDerWaalsContact C-N 3.25Å; C365-L367 PolarHBondContact O-N 3.14Å; L367-F386 HydrophobicContact CB-CD1 4.44Å; L367-F386 HydrophobicContact CD1-CD1 3.68Å; L367-F386 HydrophobicContact CD1-CE1 3.98Å; L367-F386 HydrophobicContact CG-CD1 3.86Å; L367-F386 HydrophobicContact CG-CE1 3.89Å; L367-C390 HydrophobicContact CB-CB 4.21Å; L367-C390 HydrophobicContact CD1-CB 4.05Å; L367-C390 WeakPolarHBondContact CD1-O 3.34Å
368	C	77.7	Confident	68.2	Low	69 Å²	69	87 Å²	87	47%	0.466	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-0.8	-178.2	69.8	0	0	0	0	114.2	G370 H387	C368-G370 PolarHBondContact O-N 3.07Å; C368-H387 PolarHBondContact SG-CE1 3.3Å; C368-H387 PolarHBondContact SG-ND1 3.28Å
369	H	74.9	Confident	69.7	Low	141 Å²	141	80.6 Å²	80.6	65%	0.653	46%	0.456	S	S	*	.			trans	57	6.9	-177.6	-58.2	-74.6	0	0	0	116.4	H364 C365	H364-H369 PolarHBondContact CD2-O 2.85Å; C365-H369 WeakPolarHBondContact O-CA 3Å; C365-H369 PolarHBondContact O-N 3.5Å
370	G	77.9	Confident	71.2	Confident	27 Å²	27	81.7 Å²	81.7	28%	0.278	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-70.3	149.1	174.1	0	0	0	0	0	113.4	H364 C365 C368	H364-G370 WeakPolarHBondContact CA-O 3.41Å; C365-G370 PolarHBondContact N-O 2.9Å; C368-G370 PolarHBondContact O-N 3.07Å
371	E	74.4	Confident	72.2	Confident	142 Å²	142	77 Å²	77	66%	0.664	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-77.1	148.4	173.3	-64	-178.5	-175.6	0	0	112	H364	H364-E371 IonicContact NE2-OE1 3.2Å
372	F	75.1	Confident	73	Confident	17 Å²	17	78.7 Å²	78.7	8%	0.075	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-83.5	118.4	178.7	-62.2	-76.6	0	0	0	112.7	G363 H364 C365 R374 A378 L385 H387	G363-F372 WeakPolarHBondContact O-CD2 3.48Å; H364-F372 VanDerWaalsContact C-CE2 3.5Å; C365-F372 HydrophobicContact CB-CE1 4.31Å; C365-F372 HydrophobicContact CB-CZ 3.83Å; F372-R374 PolarHBondContact O-N 3.38Å; F372-A378 HydrophobicContact CD1-CB 3.5Å; F372-A378 HydrophobicContact CD2-CB 4.13Å; F372-A378 HydrophobicContact CE1-CB 3.54Å; F372-A378 HydrophobicContact CE2-CB 4.18Å; F372-A378 HydrophobicContact CG-CB 3.81Å; F372-A378 HydrophobicContact CZ-CB 3.9Å; F372-L385 HydrophobicContact CD2-CB 4.49Å; F372-L385 HydrophobicContact CD2-CD1 4.18Å; F372-L385 HydrophobicContact CE2-CB 3.39Å; F372-L385 HydrophobicContact CE2-CD1 3.75Å; F372-L385 HydrophobicContact CE2-CG 4.22Å; F372-L385 HydrophobicContact CZ-CB 3.48Å; F372-L385 VanDerWaalsContact CZ-CB 3.48Å; F372-H387 AromaticContact CD1-CD2 3.46Å; F372-H387 VanDerWaalsContact CD1-CD2 3.46Å; F372-H387 WeakPolarHBondContact CD1-CD2 3.32Å; F372-H387 AromaticContact CD1-NE2 3.58Å; F372-H387 AromaticContact CE1-CD2 3.4Å; F372-H387 VanDerWaalsContact CE1-CD2 3.4Å; F372-H387 WeakPolarHBondContact CE1-CD2 3.48Å; F372-H387 AromaticContact CE1-CG 3.94Å; F372-H387 AromaticContact CE1-NE2 3.64Å
373	S	74.2	Confident	73.4	Confident	120 Å²	120	77.1 Å²	77.1	84%	0.839	43%	0.429	S	S	*	.	S	Bend	trans	-59.5	-32.2	171.8	-56.4	0	0	0	0	113.3
374	R	68.1	Low	73.7	Confident	173 Å²	173	83 Å²	83	65%	0.653	44%	0.443	S	S	*	.			trans	-149.3	143	175.2	-57.5	-179.2	177	-175.6	0	110.5	F372 S376 D377	F372-R374 PolarHBondContact O-N 3.38Å; R374-S376 WeakPolarHBondContact CB-OG 3.39Å; R374-S376 PolarHBondContact O-N 3.13Å; R374-D377 PolarHBondContact O-N 2.76Å; R374-D377 VanDerWaalsContact O-N 3.13Å
375	L	63.2	Low	73.7	Confident	104 Å²	104	79.4 Å²	79.4	55%	0.545	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.8	177.2	-159.4	79	0	0	0	113.1	Y362 D377 A378	Y362-L375 HydrophobicContact CD1-CD1 3.96Å; Y362-L375 HydrophobicContact CG-CD1 4.14Å; L375-D377 PolarHBondContact O-N 3.05Å; L375-A378 PolarHBondContact O-N 3.02Å
376	S	67.8	Low	73.7	Confident	72 Å²	72	80.1 Å²	80.1	50%	0.503	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-64.6	-17.1	175.4	52.2	0	0	0	0	114.4	R374 R388	R374-S376 WeakPolarHBondContact CB-OG 3.39Å; R374-S376 PolarHBondContact O-N 3.13Å; S376-R388 PolarHBondContact O-NE 3.28Å; S376-R388 PolarHBondContact O-NH2 3.03Å
377	D	75	Confident	73.9	Confident	59 Å²	59	80.4 Å²	80.4	32%	0.316	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-107.8	-4.7	-169.7	-47.6	-16	0	0	0	110.6	R374 L375 R388	R374-D377 PolarHBondContact O-N 2.76Å; R374-D377 VanDerWaalsContact O-N 3.13Å; L375-D377 PolarHBondContact O-N 3.05Å; D377-R388 PolarHBondContact O-N 3.49Å
378	A	73.1	Confident	73.8	Confident	19 Å²	19	80.3 Å²	80.3	16%	0.157	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.5	173.5	0	0	0	0	0	110.8	F372 L375 L385 F386	F372-A378 HydrophobicContact CD1-CB 3.5Å; F372-A378 HydrophobicContact CD2-CB 4.13Å; F372-A378 HydrophobicContact CE1-CB 3.54Å; F372-A378 HydrophobicContact CE2-CB 4.18Å; F372-A378 HydrophobicContact CG-CB 3.81Å; F372-A378 HydrophobicContact CZ-CB 3.9Å; L375-A378 PolarHBondContact O-N 3.02Å; A378-L385 HydrophobicContact CB-CD2 4.4Å; A378-F386 CarbonylContact C-O 3.47Å; A378-F386 WeakPolarHBondContact CA-O 3.5Å
379	V	78.6	Confident	73.3	Confident	27 Å²	27	85.4 Å²	85.4	16%	0.164	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.4	166.6	-174.6	0	0	0	0	108.3	L385 F386 R388 F391	V379-L385 WeakPolarHBondContact O-CA 3.46Å; V379-F386 PolarHBondContact N-O 3.1Å; V379-F386 PolarHBondContact O-N 3.37Å; V379-R388 HydrophobicContact CG2-CG 4.1Å; V379-F391 HydrophobicContact CB-CB 4.23Å; V379-F391 HydrophobicContact CB-CD1 4.26Å; V379-F391 HydrophobicContact CB-CG 4.12Å; V379-F391 HydrophobicContact CG1-CD1 3.67Å; V379-F391 HydrophobicContact CG1-CD2 4.32Å; V379-F391 HydrophobicContact CG1-CE1 3.89Å; V379-F391 HydrophobicContact CG1-CG 3.91Å; V379-F391 HydrophobicContact CG1-CZ 4.34Å; V379-F391 HydrophobicContact CG2-CB 4.29Å; V379-F391 HydrophobicContact CG2-CD1 4.43Å; V379-F391 HydrophobicContact CG2-CG 4.49Å
380	K	76.2	Confident	73.3	Confident	156 Å²	156	80 Å²	80	68%	0.678	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.2	175.8	-172.9	177.7	-178.5	-179.4	0	110.1	Y384 L385	K380-Y384 WeakPolarHBondContact CA-O 3.07Å; K380-L385 HydrophobicContact CB-CD2 3.78Å; K380-L385 HydrophobicContact CD-CD2 4.37Å; K380-L385 HydrophobicContact CG-CD2 3.93Å
381	A	70.6	Confident	73.2	Confident	6 Å²	6	79 Å²	79	5%	0.05	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.3	175.7	0	0	0	0	0	110.4	G383 Y384 F386 F391 F405 F412	A381-G383 PolarHBondContact O-N 3.44Å; A381-Y384 PolarHBondContact N-O 2.77Å; A381-Y384 PolarHBondContact O-N 2.86Å; A381-F386 HydrophobicContact CB-CD2 4.19Å; A381-F386 HydrophobicContact CB-CE2 3.93Å; A381-F391 HydrophobicContact CB-CD2 4.38Å; A381-F391 HydrophobicContact CB-CE2 3.45Å; A381-F391 VanDerWaalsContact CB-CE2 3.45Å; A381-F391 HydrophobicContact CB-CZ 3.85Å; A381-F405 HydrophobicContact CB-CZ 4.42Å; A381-F412 HydrophobicContact CB-CZ 4.13Å
382	H	65.1	Low	73.1	Confident	135 Å²	135	74.7 Å²	74.7	63%	0.625	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.4	41.1	-176.7	-102.6	123.8	0	0	0	116.1	Y384 E407	H382-Y384 VanDerWaalsContact C-N 3.32Å; H382-Y384 PolarHBondContact O-N 3.13Å; H382-E407 IonicContact CE1-OE2 3.43Å; H382-E407 PolarHBondContact CE1-OE2 2.74Å; H382-E407 IonicContact ND1-OE2 2.85Å; H382-E407 PolarHBondContact ND1-OE2 3.41Å
383	G	70.6	Confident	72.6	Confident	60 Å²	60	74 Å²	74	62%	0.619	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	-21.4	177.5	0	0	0	0	0	115.1	A381	A381-G383 PolarHBondContact O-N 3.44Å
384	Y	80.1	Confident	71.9	Confident	154 Å²	154	71.1 Å²	71.1	60%	0.604	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	161.5	176.2	-63.3	-83.2	0	0	0	112.1	A366 K380 A381 H382	A366-Y384 HydrophobicContact CB-CD1 3.96Å; A366-Y384 HydrophobicContact CB-CG 4.23Å; K380-Y384 WeakPolarHBondContact CA-O 3.07Å; A381-Y384 PolarHBondContact N-O 2.77Å; A381-Y384 PolarHBondContact O-N 2.86Å; H382-Y384 VanDerWaalsContact C-N 3.32Å; H382-Y384 PolarHBondContact O-N 3.13Å
385	L	78.9	Confident	71.3	Confident	36 Å²	36	63.6 Å²	63.6	19%	0.188	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143	174.6	-60.5	175.6	0	0	0	109.8	Y362 C365 A366 F372 A378 V379 K380	Y362-L385 VanDerWaalsContact O-CD1 3.23Å; Y362-L385 WeakPolarHBondContact O-CD1 3.42Å; C365-L385 CarbonylContact C-O 3.59Å; C365-L385 VanDerWaalsContact CA-O 3.32Å; C365-L385 WeakPolarHBondContact CA-O 3.45Å; A366-L385 PolarHBondContact N-O 2.72Å; F372-L385 HydrophobicContact CD2-CB 4.49Å; F372-L385 HydrophobicContact CD2-CD1 4.18Å; F372-L385 HydrophobicContact CE2-CB 3.39Å; F372-L385 HydrophobicContact CE2-CD1 3.75Å; F372-L385 HydrophobicContact CE2-CG 4.22Å; F372-L385 HydrophobicContact CZ-CB 3.48Å; F372-L385 VanDerWaalsContact CZ-CB 3.48Å; A378-L385 HydrophobicContact CB-CD2 4.4Å; V379-L385 WeakPolarHBondContact O-CA 3.46Å; K380-L385 HydrophobicContact CB-CD2 3.78Å; K380-L385 HydrophobicContact CD-CD2 4.37Å; K380-L385 HydrophobicContact CG-CD2 3.93Å
386	F	79.6	Confident	71.1	Confident	15 Å²	15	62.4 Å²	62.4	7%	0.066	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.1	179.3	-55.2	-87	0	0	0	109.7	A366 L367 A378 V379 A381 F391 F412	A366-F386 HydrophobicContact CB-CD1 4.28Å; A366-F386 HydrophobicContact CB-CE1 3.73Å; A366-F386 HydrophobicContact CB-CZ 4.15Å; L367-F386 HydrophobicContact CB-CD1 4.44Å; L367-F386 HydrophobicContact CD1-CD1 3.68Å; L367-F386 HydrophobicContact CD1-CE1 3.98Å; L367-F386 HydrophobicContact CG-CD1 3.86Å; L367-F386 HydrophobicContact CG-CE1 3.89Å; A378-F386 CarbonylContact C-O 3.47Å; A378-F386 WeakPolarHBondContact CA-O 3.5Å; V379-F386 PolarHBondContact N-O 3.1Å; V379-F386 PolarHBondContact O-N 3.37Å; A381-F386 HydrophobicContact CB-CD2 4.19Å; A381-F386 HydrophobicContact CB-CE2 3.93Å; F386-F391 HydrophobicContact CB-CB 4.06Å; F386-F391 HydrophobicContact CB-CD2 4.14Å; F386-F391 AromaticContact CD2-CD2 3.92Å; F386-F391 HydrophobicContact CD2-CD2 3.92Å; F386-F391 HydrophobicContact CD2-CE2 4.34Å; F386-F391 HydrophobicContact CG-CD2 4.08Å; F386-F412 HydrophobicContact CE2-CE2 4.4Å; F386-F412 HydrophobicContact CZ-CE2 4.2Å
387	H	77	Confident	70.7	Confident	43 Å²	43	61 Å²	61	20%	0.199	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	152.9	166.2	-59.8	110.8	0	0	0	109.9	C365 C368 F372 E389 C390 F391	C365-H387 VanDerWaalsContact CB-CE1 3.45Å; C365-H387 WeakPolarHBondContact CB-CE1 3.36Å; C365-H387 WeakPolarHBondContact CB-ND1 3.26Å; C368-H387 PolarHBondContact SG-CE1 3.3Å; C368-H387 PolarHBondContact SG-ND1 3.28Å; F372-H387 AromaticContact CD1-CD2 3.46Å; F372-H387 VanDerWaalsContact CD1-CD2 3.46Å; F372-H387 WeakPolarHBondContact CD1-CD2 3.32Å; F372-H387 AromaticContact CD1-NE2 3.58Å; F372-H387 AromaticContact CE1-CD2 3.4Å; F372-H387 VanDerWaalsContact CE1-CD2 3.4Å; F372-H387 WeakPolarHBondContact CE1-CD2 3.48Å; F372-H387 AromaticContact CE1-CG 3.94Å; F372-H387 AromaticContact CE1-NE2 3.64Å; H387-E389 PolarHBondContact O-N 3.49Å; H387-E389 VanDerWaalsContact O-N 3.14Å; H387-C390 HydrophobicContact CB-CB 4.12Å; H387-C390 CarbonylContact O-C 3.58Å; H387-C390 WeakPolarHBondContact O-CA 2.88Å; H387-C390 PolarHBondContact O-N 2.84Å; H387-F391 PolarHBondContact O-N 2.85Å
388	R	71.4	Confident	70	Confident	112 Å²	112	60.3 Å²	60.3	42%	0.423	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.7	172.8	-59.7	-170.9	-177.1	-163.6	1.9	113.2	S376 D377 V379 S399	S376-R388 PolarHBondContact O-NE 3.28Å; S376-R388 PolarHBondContact O-NH2 3.03Å; D377-R388 PolarHBondContact O-N 3.49Å; V379-R388 HydrophobicContact CG2-CG 4.1Å; R388-S399 PolarHBondContact O-OG 3.04Å; R388-S399 VanDerWaalsContact O-OG 3.07Å
389	E	68.7	Low	69.5	Low	175 Å²	175	61.9 Å²	61.9	82%	0.818	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.4	177.3	-63	171.6	-169.3	0	0	113.5	H387 I392	H387-E389 PolarHBondContact O-N 3.49Å; H387-E389 VanDerWaalsContact O-N 3.14Å; E389-I392 WeakPolarHBondContact O-CG2 3.46Å
390	C	74.7	Confident	68.6	Low	28 Å²	28	60.6 Å²	60.6	19%	0.189	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-22.9	173.3	-60.7	0	0	0	0	112	L367 H387 I392	L367-C390 HydrophobicContact CB-CB 4.21Å; L367-C390 HydrophobicContact CD1-CB 4.05Å; L367-C390 WeakPolarHBondContact CD1-O 3.34Å; H387-C390 HydrophobicContact CB-CB 4.12Å; H387-C390 CarbonylContact O-C 3.58Å; H387-C390 WeakPolarHBondContact O-CA 2.88Å; H387-C390 PolarHBondContact O-N 2.84Å; C390-I392 VanDerWaalsContact C-N 3.26Å; C390-I392 PolarHBondContact O-N 3.19Å
391	F	75.3	Confident	67.6	Low	5 Å²	5	57.8 Å²	57.8	2%	0.022	30%	0.303	C	S	.	.			trans	-83	71.7	179.6	-163.3	-111.5	0	0	0	110.6	V379 A381 F386 H387 S399 L400 F405 F412	V379-F391 HydrophobicContact CB-CB 4.23Å; V379-F391 HydrophobicContact CB-CD1 4.26Å; V379-F391 HydrophobicContact CB-CG 4.12Å; V379-F391 HydrophobicContact CG1-CD1 3.67Å; V379-F391 HydrophobicContact CG1-CD2 4.32Å; V379-F391 HydrophobicContact CG1-CE1 3.89Å; V379-F391 HydrophobicContact CG1-CG 3.91Å; V379-F391 HydrophobicContact CG1-CZ 4.34Å; V379-F391 HydrophobicContact CG2-CB 4.29Å; V379-F391 HydrophobicContact CG2-CD1 4.43Å; V379-F391 HydrophobicContact CG2-CG 4.49Å; A381-F391 HydrophobicContact CB-CD2 4.38Å; A381-F391 HydrophobicContact CB-CE2 3.45Å; A381-F391 VanDerWaalsContact CB-CE2 3.45Å; A381-F391 HydrophobicContact CB-CZ 3.85Å; F386-F391 HydrophobicContact CB-CB 4.06Å; F386-F391 HydrophobicContact CB-CD2 4.14Å; F386-F391 AromaticContact CD2-CD2 3.92Å; F386-F391 HydrophobicContact CD2-CD2 3.92Å; F386-F391 HydrophobicContact CD2-CE2 4.34Å; F386-F391 HydrophobicContact CG-CD2 4.08Å; H387-F391 PolarHBondContact O-N 2.85Å; F391-S399 WeakPolarHBondContact O-CA 3.32Å; F391-L400 HydrophobicContact CD1-CB 3.63Å; F391-L400 HydrophobicContact CE1-CB 3.43Å; F391-L400 VanDerWaalsContact CE1-CB 3.43Å; F391-L400 HydrophobicContact CE1-CD1 4.44Å; F391-L400 HydrophobicContact CZ-CB 4.19Å; F391-L400 HydrophobicContact CZ-CD1 4.42Å; F391-L400 PolarHBondContact O-N 3.46Å; F391-F405 HydrophobicContact CE1-CD1 4.19Å; F391-F405 HydrophobicContact CE1-CE1 4.1Å; F391-F405 AromaticContact CZ-CD1 3.93Å; F391-F405 HydrophobicContact CZ-CD1 3.93Å; F391-F405 AromaticContact CZ-CE1 3.69Å; F391-F405 HydrophobicContact CZ-CE1 3.69Å; F391-F405 HydrophobicContact CZ-CG 4.46Å; F391-F405 HydrophobicContact CZ-CZ 4Å; F391-F412 HydrophobicContact CE2-CD2 4.09Å; F391-F412 HydrophobicContact CE2-CE2 4.03Å; F391-F412 HydrophobicContact CE2-CZ 4.5Å
392	I	72.6	Confident	67	Low	53 Å²	53	61.4 Å²	61.4	27%	0.272	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-115.6	152.9	-177	57.7	172.6	0	0	0	112.3	E389 C390 S398	E389-I392 WeakPolarHBondContact O-CG2 3.46Å; C390-I392 VanDerWaalsContact C-N 3.26Å; C390-I392 PolarHBondContact O-N 3.19Å; I392-S398 CarbonylContact C-O 3.57Å; I392-S398 WeakPolarHBondContact CA-O 3.44Å; I392-S398 WeakPolarHBondContact CB-O 3.35Å
393	S	63.9	Low	66.7	Low	2 Å²	2	59.8 Å²	59.8	1%	0.014	33%	0.334	C	S	.	.			trans	-66.3	132.9	174.3	178.6	0	0	0	0	111	N395 G397 S398 C414	S393-N395 PolarHBondContact O-N 3.03Å; S393-N395 PolarHBondContact OG-N 2.88Å; S393-G397 WeakPolarHBondContact O-CA 3.23Å; S393-G397 PolarHBondContact O-N 3.24Å; S393-S398 PolarHBondContact N-O 3.44Å; S393-C414 WeakPolarHBondContact CB-SG 3.5Å; S393-C414 PolarHBondContact OG-N 3.45Å; S393-C414 PolarHBondContact OG-SG 3.42Å
394	H	59.4	Low	65.8	Low	59 Å²	59	61.5 Å²	61.5	27%	0.273	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.7	177.3	-167.8	114.2	0	0	0	112.2	L410 F412 N435	H394-L410 PolarHBondContact CE1-O 3.41Å; H394-L410 PolarHBondContact ND1-O 2.87Å; H394-L410 VanDerWaalsContact ND1-O 3.14Å; H394-F412 WeakPolarHBondContact CB-O 3.11Å; H394-F412 PolarHBondContact N-O 2.98Å; H394-N435 VanDerWaalsContact CE1-CG 3.45Å; H394-N435 PolarHBondContact CE1-ND2 3.4Å; H394-N435 VanDerWaalsContact CE1-ND2 3.33Å
395	N	56.7	Low	64.7	Low	15 Å²	15	57.8 Å²	57.8	8%	0.08	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-31.3	-166.9	-61.8	7.7	0	0	0	112.6	S393 D417 L438	S393-N395 PolarHBondContact O-N 3.03Å; S393-N395 PolarHBondContact OG-N 2.88Å; N395-D417 WeakPolarHBondContact CB-OD2 3.48Å; N395-D417 PolarHBondContact ND2-OD1 3.36Å; N395-D417 PolarHBondContact ND2-OD2 2.62Å; N395-L438 HydrophobicContact CB-CD1 3.66Å; N395-L438 WeakPolarHBondContact ND2-CD1 3.34Å
396	H	57.3	Low	63.8	Low	79 Å²	79	61.3 Å²	61.3	37%	0.366	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-21.4	-179.5	-60.3	-100.3	0	0	0	114.1	S398 E416 D417	H396-S398 WeakPolarHBondContact CB-OG 3.28Å; H396-S398 PolarHBondContact O-N 3.17Å; H396-E416 IonicContact CE1-OE2 3.89Å; H396-E416 PolarHBondContact CE1-OE2 3.24Å; H396-E416 IonicContact ND1-OE2 3.19Å; H396-E416 IonicContact NE2-OE2 2.83Å; H396-D417 IonicContact CD2-OD1 2.69Å; H396-D417 IonicContact NE2-OD1 3.72Å; H396-D417 IonicContact NE2-OD2 2.73Å
397	G	59.3	Low	62.5	Low	43 Å²	43	67 Å²	67	44%	0.443	36%	0.358	S	S	.	.			trans	68.8	4.6	-170.7	0	0	0	0	0	114.8	S393	S393-G397 WeakPolarHBondContact O-CA 3.23Å; S393-G397 PolarHBondContact O-N 3.24Å
398	S	60.9	Low	61	Low	44 Å²	44	67.3 Å²	67.3	31%	0.308	37%	0.365	S	S	.	.			trans	-70	148.8	172.2	47.8	0	0	0	0	111.2	I392 S393 H396 L400	I392-S398 CarbonylContact C-O 3.57Å; I392-S398 WeakPolarHBondContact CA-O 3.44Å; I392-S398 WeakPolarHBondContact CB-O 3.35Å; S393-S398 PolarHBondContact N-O 3.44Å; H396-S398 WeakPolarHBondContact CB-OG 3.28Å; H396-S398 PolarHBondContact O-N 3.17Å; S398-L400 PolarHBondContact O-N 3.3Å
399	S	62.4	Low	59.9	Low	52 Å²	52	70.3 Å²	70.3	36%	0.364	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-70.5	124.1	175.1	-174.2	0	0	0	0	110.3	R388 F391 H401	R388-S399 PolarHBondContact O-OG 3.04Å; R388-S399 VanDerWaalsContact O-OG 3.07Å; F391-S399 WeakPolarHBondContact O-CA 3.32Å; S399-H401 PolarHBondContact O-N 3.27Å; S399-H401 VanDerWaalsContact O-N 3.09Å
400	L	59.4	Low	58.7	Low	1 Å²	1	68.6 Å²	68.6	1%	0.005	39%	0.386	C	S	.	.			trans	-77.1	14.3	178	-68.9	172.9	0	0	0	112.8	F391 S398 G402 E403 F405 F412 C414	F391-L400 HydrophobicContact CD1-CB 3.63Å; F391-L400 HydrophobicContact CE1-CB 3.43Å; F391-L400 VanDerWaalsContact CE1-CB 3.43Å; F391-L400 HydrophobicContact CE1-CD1 4.44Å; F391-L400 HydrophobicContact CZ-CB 4.19Å; F391-L400 HydrophobicContact CZ-CD1 4.42Å; F391-L400 PolarHBondContact O-N 3.46Å; S398-L400 PolarHBondContact O-N 3.3Å; L400-G402 PolarHBondContact O-N 3.42Å; L400-E403 PolarHBondContact O-N 2.82Å; L400-F405 HydrophobicContact CD1-CB 3.92Å; L400-F405 HydrophobicContact CD1-CG 4.46Å; L400-F405 HydrophobicContact CD2-CB 4.06Å; L400-F405 HydrophobicContact CG-CB 4.47Å; L400-F412 HydrophobicContact CD1-CB 3.56Å; L400-F412 HydrophobicContact CD1-CG 4.45Å; L400-C414 VanDerWaalsContact CD2-SG 3.55Å
401	H	55	Low	57.7	Low	96 Å²	96	68.5 Å²	68.5	44%	0.444	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	95.4	-174.5	-179.8	-66.4	0	0	0	111.8	S399	S399-H401 PolarHBondContact O-N 3.27Å; S399-H401 VanDerWaalsContact O-N 3.09Å
402	G	59.5	Low	56.9	Low	82 Å²	82	70.3 Å²	70.3	85%	0.845	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	-2.3	178.7	0	0	0	0	0	114.1	L400	L400-G402 PolarHBondContact O-N 3.42Å
403	E	57.5	Low	56.2	Low	102 Å²	102	68.3 Å²	68.3	48%	0.477	39%	0.388	S	S	.	.	S	Bend	trans	-89.9	156	174.3	-65	-174.1	-178.4	0	0	111.8	L400 F405	L400-E403 PolarHBondContact O-N 2.82Å; E403-F405 PolarHBondContact O-N 3.47Å
404	T	51.5	Low	55.6	Low	96 Å²	96	68.7 Å²	68.7	59%	0.589	39%	0.39	S	S	*	.			trans	-79.6	109.1	170.9	56.1	0	0	0	0	110
405	F	57.2	Low	55.2	Low	75 Å²	75	72.4 Å²	72.4	33%	0.329	41%	0.405	S	S	.	.			trans	-99.6	154.8	175.3	59.5	-91	0	0	0	111.6	A381 F391 L400 E403 F412 C413	A381-F405 HydrophobicContact CB-CZ 4.42Å; F391-F405 HydrophobicContact CE1-CD1 4.19Å; F391-F405 HydrophobicContact CE1-CE1 4.1Å; F391-F405 AromaticContact CZ-CD1 3.93Å; F391-F405 HydrophobicContact CZ-CD1 3.93Å; F391-F405 AromaticContact CZ-CE1 3.69Å; F391-F405 HydrophobicContact CZ-CE1 3.69Å; F391-F405 HydrophobicContact CZ-CG 4.46Å; F391-F405 HydrophobicContact CZ-CZ 4Å; L400-F405 HydrophobicContact CD1-CB 3.92Å; L400-F405 HydrophobicContact CD1-CG 4.46Å; L400-F405 HydrophobicContact CD2-CB 4.06Å; L400-F405 HydrophobicContact CG-CB 4.47Å; E403-F405 PolarHBondContact O-N 3.47Å; F405-F412 AromaticContact CD2-CD1 3.57Å; F405-F412 HydrophobicContact CD2-CD1 3.57Å; F405-F412 HydrophobicContact CD2-CE1 4.12Å; F405-F412 HydrophobicContact CD2-CG 4.32Å; F405-F412 AromaticContact CE2-CD1 3.82Å; F405-F412 HydrophobicContact CE2-CD1 3.82Å; F405-F412 AromaticContact CE2-CE1 3.87Å; F405-F412 HydrophobicContact CE2-CE1 3.87Å; F405-C413 WeakPolarHBondContact CA-O 3.45Å
406	Y	59.9	Low	55	Low	110 Å²	110	77.4 Å²	77.4	43%	0.431	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.3	172.5	-65.3	-85.6	0	0	0	110.9	C413 K415	Y406-C413 PolarHBondContact N-O 2.88Å; Y406-C413 PolarHBondContact O-N 2.91Å; Y406-K415 HydrophobicContact CE2-CB 4.03Å; Y406-K415 HydrophobicContact CE2-CD 4.4Å; Y406-K415 HydrophobicContact CE2-CG 3.96Å
407	E	53.5	Low	54.7	Low	134 Å²	134	75 Å²	75	63%	0.626	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.1	173.4	-177.4	167.5	-167.3	0	0	109.2	H382	H382-E407 IonicContact CE1-OE2 3.43Å; H382-E407 PolarHBondContact CE1-OE2 2.74Å; H382-E407 IonicContact ND1-OE2 2.85Å; H382-E407 PolarHBondContact ND1-OE2 3.41Å
408	S	45.5	Very low	54.2	Low	50 Å²	50	79 Å²	79	35%	0.35	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154.7	166.4	-68.5	0	0	0	0	108.6	L410 G411	S408-L410 PolarHBondContact O-N 2.96Å; S408-G411 PolarHBondContact N-O 3.03Å; S408-G411 PolarHBondContact O-N 3.05Å
409	D	47.5	Very low	53.6	Low	175 Å²	175	83.8 Å²	83.8	94%	0.936	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-9.8	-176.4	-56.4	-37.6	0	0	0	115.2
410	L	44.1	Very low	53	Low	140 Å²	140	89 Å²	89	73%	0.733	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	3.9	-179.1	-63.4	172	0	0	0	114.1	H394 S408	H394-L410 PolarHBondContact CE1-O 3.41Å; H394-L410 PolarHBondContact ND1-O 2.87Å; H394-L410 VanDerWaalsContact ND1-O 3.14Å; S408-L410 PolarHBondContact O-N 2.96Å
411	G	52.8	Low	52.5	Low	26 Å²	26	93.7 Å²	93.7	27%	0.268	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.3	-178	175.1	0	0	0	0	0	115.5	S408	S408-G411 PolarHBondContact N-O 3.03Å; S408-G411 PolarHBondContact O-N 3.05Å
412	F	59.1	Low	52.4	Low	43 Å²	43	91.5 Å²	91.5	19%	0.189	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.5	175.1	-56.8	-67.3	0	0	0	110.8	A381 F386 F391 H394 L400 F405	A381-F412 HydrophobicContact CB-CZ 4.13Å; F386-F412 HydrophobicContact CE2-CE2 4.4Å; F386-F412 HydrophobicContact CZ-CE2 4.2Å; F391-F412 HydrophobicContact CE2-CD2 4.09Å; F391-F412 HydrophobicContact CE2-CE2 4.03Å; F391-F412 HydrophobicContact CE2-CZ 4.5Å; H394-F412 WeakPolarHBondContact CB-O 3.11Å; H394-F412 PolarHBondContact N-O 2.98Å; L400-F412 HydrophobicContact CD1-CB 3.56Å; L400-F412 HydrophobicContact CD1-CG 4.45Å; F405-F412 AromaticContact CD2-CD1 3.57Å; F405-F412 HydrophobicContact CD2-CD1 3.57Å; F405-F412 HydrophobicContact CD2-CE1 4.12Å; F405-F412 HydrophobicContact CD2-CG 4.32Å; F405-F412 AromaticContact CE2-CD1 3.82Å; F405-F412 HydrophobicContact CE2-CD1 3.82Å; F405-F412 AromaticContact CE2-CE1 3.87Å; F405-F412 HydrophobicContact CE2-CE1 3.87Å
413	C	57.2	Low	52.1	Low	10 Å²	10	94.5 Å²	94.5	7%	0.068	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	157	177.2	-59.8	0	0	0	0	111.3	F405 Y406 D417	F405-C413 WeakPolarHBondContact CA-O 3.45Å; Y406-C413 PolarHBondContact N-O 2.88Å; Y406-C413 PolarHBondContact O-N 2.91Å; C413-D417 HydrophobicContact CB-CB 4.12Å
414	C	52.3	Low	51.8	Low	10 Å²	10	95.4 Å²	95.4	7%	0.068	48%	0.481	C	S	.	.			trans	-78.9	165.8	171.6	-77	0	0	0	0	110.2	S393 L400 E416 D417	S393-C414 WeakPolarHBondContact CB-SG 3.5Å; S393-C414 PolarHBondContact OG-N 3.45Å; S393-C414 PolarHBondContact OG-SG 3.42Å; L400-C414 VanDerWaalsContact CD2-SG 3.55Å; C414-E416 PolarHBondContact O-N 2.95Å; C414-D417 WeakPolarHBondContact CA-OD1 3.46Å; C414-D417 PolarHBondContact N-OD1 3.33Å; C414-D417 WeakPolarHBondContact O-CB 3.4Å; C414-D417 PolarHBondContact O-N 3.23Å; C414-D417 VanDerWaalsContact O-OD1 3.11Å
415	K	50.6	Low	52.1	Low	137 Å²	137	98.8 Å²	98.8	60%	0.596	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-66.2	-15.6	177.3	-172.5	170.1	179.2	-176.2	0	114.1	Y406 D417	Y406-K415 HydrophobicContact CE2-CB 4.03Å; Y406-K415 HydrophobicContact CE2-CD 4.4Å; Y406-K415 HydrophobicContact CE2-CG 3.96Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-D417 PolarHBondContact O-N 3.41Å
416	E	52.9	Low	52.5	Low	121 Å²	121	103 Å²	103	57%	0.565	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-76.6	-15.9	-179.9	-57.5	-172.2	156.2	0	0	112.7	H396 C414 D418	H396-E416 IonicContact CE1-OE2 3.89Å; H396-E416 PolarHBondContact CE1-OE2 3.24Å; H396-E416 IonicContact ND1-OE2 3.19Å; H396-E416 IonicContact NE2-OE2 2.83Å; C414-E416 PolarHBondContact O-N 2.95Å; E416-D418 PolarHBondContact O-N 3.28Å
417	D	49.8	Very low	53	Low	28 Å²	28	98.5 Å²	98.5	15%	0.15	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-80.6	-13.3	-168	-69.7	127.4	0	0	0	115.8	N395 H396 C413 C414 K415	N395-D417 WeakPolarHBondContact CB-OD2 3.48Å; N395-D417 PolarHBondContact ND2-OD1 3.36Å; N395-D417 PolarHBondContact ND2-OD2 2.62Å; H396-D417 IonicContact CD2-OD1 2.69Å; H396-D417 IonicContact NE2-OD1 3.72Å; H396-D417 IonicContact NE2-OD2 2.73Å; C413-D417 HydrophobicContact CB-CB 4.12Å; C414-D417 WeakPolarHBondContact CA-OD1 3.46Å; C414-D417 PolarHBondContact N-OD1 3.33Å; C414-D417 WeakPolarHBondContact O-CB 3.4Å; C414-D417 PolarHBondContact O-N 3.23Å; C414-D417 VanDerWaalsContact O-OD1 3.11Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-D417 PolarHBondContact O-N 3.41Å
418	D	49	Very low	54.4	Low	128 Å²	128	96 Å²	96	68%	0.684	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-79.9	-16.2	177.2	-85.6	-26	0	0	0	113.2	E416 Y420	E416-D418 PolarHBondContact O-N 3.28Å; D418-Y420 PolarHBondContact O-N 3.32Å
419	M	49.2	Very low	56.3	Low	143 Å²	143	100.6 Å²	100.6	70%	0.704	50%	0.496	S	S	*	.	S	Bend	trans	-81	-11.5	-167.7	-145.3	-172.7	116.2	0	0	115.1
420	Y	50.2	Low	58.3	Low	161 Å²	161	92.3 Å²	92.3	63%	0.631	45%	0.452	S	S	*	.			trans	-139.2	80.3	-179.9	-83.4	-83.2	0	0	0	114.5	D418 G422	D418-Y420 PolarHBondContact O-N 3.32Å; Y420-G422 VanDerWaalsContact C-N 3.3Å; Y420-G422 PolarHBondContact O-N 3.07Å
421	P	49.3	Very low	60.3	Low	101 Å²	101	91 Å²	91	66%	0.656	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-59.2	-37	173.3	-24.7	34.8	0	0	0	113.9	Y423 R424	P421-Y423 VanDerWaalsContact C-N 3.26Å; P421-Y423 PolarHBondContact O-N 2.92Å; P421-R424 PolarHBondContact O-N 3.34Å
422	G	52.1	Low	61.9	Low	49 Å²	49	93.3 Å²	93.3	51%	0.505	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-69.7	-11	-172.2	0	0	0	0	0	116.2	Y420	Y420-G422 VanDerWaalsContact C-N 3.3Å; Y420-G422 PolarHBondContact O-N 3.07Å
423	Y	52.7	Low	63.3	Low	145 Å²	145	93.9 Å²	93.9	57%	0.569	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-82.5	-16.3	177.8	-138.1	-96	0	0	0	112.9	P421 E425 F426 A427	P421-Y423 VanDerWaalsContact C-N 3.26Å; P421-Y423 PolarHBondContact O-N 2.92Å; Y423-E425 VanDerWaalsContact C-N 3.28Å; Y423-E425 PolarHBondContact O-N 3.14Å; Y423-F426 PolarHBondContact O-N 2.87Å; Y423-A427 WeakPolarHBondContact O-CB 3.41Å; Y423-A427 PolarHBondContact O-N 3.1Å; Y423-A427 VanDerWaalsContact O-N 3.13Å
424	R	52	Low	64.6	Low	122 Å²	122	95.7 Å²	95.7	46%	0.46	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.2	-177.3	-63.1	-174.4	-175.2	-128.2	2.8	113.6	P421	P421-R424 PolarHBondContact O-N 3.34Å
425	E	57.3	Low	66.1	Low	167 Å²	167	98 Å²	98	78%	0.78	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-29	178.5	-64.3	-175.1	176.2	0	0	113.1	Y423	Y423-E425 VanDerWaalsContact C-N 3.28Å; Y423-E425 PolarHBondContact O-N 3.14Å
426	F	65.7	Low	67.5	Low	164 Å²	164	93.3 Å²	93.3	72%	0.719	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-9	-178.4	-58.4	-76.8	0	0	0	113.6	Y423 E428	Y423-F426 PolarHBondContact O-N 2.87Å; F426-E428 PolarHBondContact O-N 2.93Å
427	A	71.3	Confident	68.9	Low	14 Å²	14	88.1 Å²	88.1	12%	0.116	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-68.2	121	179.3	0	0	0	0	0	111.5	Y423 L436 L438	Y423-A427 WeakPolarHBondContact O-CB 3.41Å; Y423-A427 PolarHBondContact O-N 3.1Å; Y423-A427 VanDerWaalsContact O-N 3.13Å; A427-L436 HydrophobicContact CB-CB 4.49Å; A427-L436 HydrophobicContact CB-CD2 4.01Å; A427-L436 WeakPolarHBondContact O-CD2 3.47Å; A427-L438 HydrophobicContact CB-CD2 3.92Å
428	E	82.3	Confident	70.1	Confident	82 Å²	82	89.2 Å²	89.2	38%	0.383	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-67.4	141.8	178.6	-63	-176.2	137.4	0	0	111.3	F426 I437 C448	F426-E428 PolarHBondContact O-N 2.93Å; E428-I437 PolarHBondContact O-N 3.23Å; E428-C448 HydrophobicContact CB-CB 4.29Å; E428-C448 VanDerWaalsContact CD-SG 3.55Å; E428-C448 PolarHBondContact OE2-SG 2.92Å
429	K	85.4	Confident	71	Confident	146 Å²	146	85.1 Å²	85.1	64%	0.635	44%	0.441	S	S	*	.	B	Isolated β-bridge	trans	-89.7	136.4	175.8	-69.1	178.2	-177.3	-179.3	0	110.8	H431 L436	K429-H431 PolarHBondContact O-N 2.95Å; K429-L436 HydrophobicContact CD-CD2 4.47Å; K429-L436 HydrophobicContact CG-CD2 3.64Å
430	C	88.2	Confident	72.2	Confident	1 Å²	1	84 Å²	84	1%	0.007	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-66.2	121.8	172.5	175.4	0	0	0	0	110.6	S432 C433 G434 N435 I437 C448 H450	C430-S432 PolarHBondContact O-N 3.17Å; C430-S432 PolarHBondContact SG-N 3.3Å; C430-C433 VanDerWaalsContact CB-SG 3.54Å; C430-C433 PolarHBondContact O-N 3.4Å; C430-C433 PolarHBondContact SG-SG 3.07Å; C430-G434 VanDerWaalsContact O-CA 3.28Å; C430-G434 WeakPolarHBondContact O-CA 3.4Å; C430-G434 PolarHBondContact O-N 3.41Å; C430-N435 WeakPolarHBondContact CB-O 3.48Å; C430-N435 PolarHBondContact N-O 3.27Å; C430-I437 HydrophobicContact CB-CD1 4.01Å; C430-I437 HydrophobicContact CB-CG1 3.87Å; C430-C448 CarbonylContact C-O 3.53Å; C430-C448 VanDerWaalsContact CA-O 3.32Å; C430-C448 WeakPolarHBondContact CA-O 3.5Å; C430-H450 WeakPolarHBondContact CB-CE1 3.29Å; C430-H450 WeakPolarHBondContact CB-ND1 3.34Å; C430-H450 PolarHBondContact SG-ND1 3.3Å
431	H	87.3	Confident	73.7	Confident	114 Å²	114	78.7 Å²	78.7	53%	0.528	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.6	-179.2	-175.6	74.5	0	0	0	113.4	K429 K447 C448 F449	K429-H431 PolarHBondContact O-N 2.95Å; H431-K447 HydrophobicContact CB-CB 4.26Å; H431-K447 HydrophobicContact CB-CD 4.49Å; H431-K447 PolarHBondContact NE2-NZ 3.09Å; H431-C448 PolarHBondContact N-O 3.43Å; H431-F449 HydrophobicContact CB-CD1 4.4Å; H431-F449 HydrophobicContact CB-CE1 3.74Å; H431-F449 HydrophobicContact CB-CZ 3.92Å
432	S	86.5	Confident	75.4	Confident	74 Å²	74	74.3 Å²	74.3	52%	0.517	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-28.7	-178.8	-179.8	0	0	0	0	114.5	C430	C430-S432 PolarHBondContact O-N 3.17Å; C430-S432 PolarHBondContact SG-N 3.3Å
433	C	88.5	Confident	76.9	Confident	54 Å²	54	76.5 Å²	76.5	37%	0.365	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-6.8	-178	67.1	0	0	0	0	114.2	C430 N435 H450	C430-C433 VanDerWaalsContact CB-SG 3.54Å; C430-C433 PolarHBondContact O-N 3.4Å; C430-C433 PolarHBondContact SG-SG 3.07Å; C433-N435 PolarHBondContact O-N 3.08Å; C433-H450 PolarHBondContact SG-CE1 3.32Å; C433-H450 PolarHBondContact SG-ND1 3.13Å; C433-H450 VanDerWaalsContact SG-ND1 3.38Å
434	G	84.1	Confident	78.4	Confident	48 Å²	48	69.7 Å²	69.7	50%	0.495	36%	0.36	S	S	.	.			trans	80.2	-18.1	-179	0	0	0	0	0	115.3	C430	C430-G434 VanDerWaalsContact O-CA 3.28Å; C430-G434 WeakPolarHBondContact O-CA 3.4Å; C430-G434 PolarHBondContact O-N 3.41Å
435	N	82.7	Confident	79.8	Confident	58 Å²	58	67 Å²	67	31%	0.31	37%	0.37	S	S	.	.			trans	-74.1	153.7	-175.1	-62.7	-22.1	0	0	0	112.8	H394 C430 C433	H394-N435 VanDerWaalsContact CE1-CG 3.45Å; H394-N435 PolarHBondContact CE1-ND2 3.4Å; H394-N435 VanDerWaalsContact CE1-ND2 3.33Å; C430-N435 WeakPolarHBondContact CB-O 3.48Å; C430-N435 PolarHBondContact N-O 3.27Å; C433-N435 PolarHBondContact O-N 3.08Å
436	L	81.2	Confident	81	Confident	40 Å²	40	62.3 Å²	62.3	21%	0.209	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-65.5	147.6	177.3	-65.3	168.3	0	0	0	111.2	A427 K429 L438 H450	A427-L436 HydrophobicContact CB-CB 4.49Å; A427-L436 HydrophobicContact CB-CD2 4.01Å; A427-L436 WeakPolarHBondContact O-CD2 3.47Å; K429-L436 HydrophobicContact CD-CD2 4.47Å; K429-L436 HydrophobicContact CG-CD2 3.64Å; L436-L438 HydrophobicContact CB-CD2 4.39Å; L436-L438 HydrophobicContact CB-CG 4.4Å; L436-H450 PolarHBondContact O-NE2 3.44Å
437	I	81.9	Confident	82	Confident	11 Å²	11	57.3 Å²	57.3	6%	0.056	34%	0.344	C	S	.	.			trans	-107.4	101.2	175.8	-50.6	165.8	0	0	0	108.7	E428 C430 M440 L441 C448	E428-I437 PolarHBondContact O-N 3.23Å; C430-I437 HydrophobicContact CB-CD1 4.01Å; C430-I437 HydrophobicContact CB-CG1 3.87Å; I437-M440 VanDerWaalsContact CG2-C 3.48Å; I437-M440 WeakPolarHBondContact CG2-O 3.21Å; I437-L441 HydrophobicContact CB-CB 4.35Å; I437-L441 HydrophobicContact CD1-CB 4.19Å; I437-L441 HydrophobicContact CG2-CB 3.66Å; I437-C448 HydrophobicContact CD1-CB 3.85Å
438	L	75.4	Confident	82.7	Confident	52 Å²	52	57.1 Å²	57.1	27%	0.272	34%	0.342	S	S	.	.	S	Bend	trans	-96	-28.8	-172.2	-62.3	171.5	0	0	0	113.9	N395 A427 L436	N395-L438 HydrophobicContact CB-CD1 3.66Å; N395-L438 WeakPolarHBondContact ND2-CD1 3.34Å; A427-L438 HydrophobicContact CB-CD2 3.92Å; L436-L438 HydrophobicContact CB-CD2 4.39Å; L436-L438 HydrophobicContact CB-CG 4.4Å
439	A	67.3	Low	83.1	Confident	41 Å²	41	53.5 Å²	53.5	34%	0.339	33%	0.325	S	S	.	.	S	Bend	trans	-112.6	-63.9	-174.4	0	0	0	0	0	114.1	A304	A304-A439 VanDerWaalsContact CB-O 3.29Å; A304-A439 WeakPolarHBondContact CB-O 3.34Å
440	M	74.5	Confident	83.1	Confident	119 Å²	119	48.4 Å²	48.4	59%	0.586	30%	0.303	S	S	*	.			trans	-122.1	115.7	-178.9	-70.4	-171.9	68	0	0	110.7	I437 P451	I437-M440 VanDerWaalsContact CG2-C 3.48Å; I437-M440 WeakPolarHBondContact CG2-O 3.21Å; M440-P451 HydrophobicContact CB-CG 3.96Å; M440-P451 VanDerWaalsContact O-CD 3.26Å; M440-P451 WeakPolarHBondContact O-CD 3.32Å
441	L	82.2	Confident	83	Confident	50 Å²	50	50.1 Å²	50.1	26%	0.262	31%	0.314	S	S	.	.			trans	-102	135.9	171.3	67.8	93.8	0	0	0	111.2	I437 Q443	I437-L441 HydrophobicContact CB-CB 4.35Å; I437-L441 HydrophobicContact CD1-CB 4.19Å; I437-L441 HydrophobicContact CG2-CB 3.66Å; L441-Q443 HydrophobicContact CD1-CB 4.41Å
442	L	83.8	Confident	82.8	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.2	171.2	-172.9	159.5	0	0	0	107	L299 A444 C448 F449 F454 D464	L299-L442 HydrophobicContact CD1-CD2 4.11Å; L299-L442 HydrophobicContact CD2-CD1 4.21Å; L299-L442 HydrophobicContact CD2-CD2 3.51Å; L299-L442 HydrophobicContact CD2-CG 3.54Å; L299-L442 HydrophobicContact CG-CD2 4.47Å; L442-A444 HydrophobicContact CD2-CB 4.05Å; L442-C448 CarbonylContact O-C 3.53Å; L442-C448 WeakPolarHBondContact O-CA 3.34Å; L442-F449 PolarHBondContact N-O 3.38Å; L442-F449 PolarHBondContact O-N 3Å; L442-F454 HydrophobicContact CD1-CB 3.93Å; L442-F454 HydrophobicContact CD1-CD1 3.62Å; L442-F454 HydrophobicContact CD1-CE1 4.44Å; L442-F454 HydrophobicContact CD1-CG 3.97Å; L442-F454 HydrophobicContact CD2-CB 4.06Å; L442-F454 HydrophobicContact CD2-CD1 3.54Å; L442-F454 HydrophobicContact CD2-CD2 3.84Å; L442-F454 HydrophobicContact CD2-CE1 3.88Å; L442-F454 HydrophobicContact CD2-CE2 4.18Å; L442-F454 HydrophobicContact CD2-CG 3.53Å; L442-F454 HydrophobicContact CD2-CZ 4.2Å; L442-F454 HydrophobicContact CG-CD1 4.26Å; L442-F454 HydrophobicContact CG-CG 4.38Å; L442-D464 HydrophobicContact CD1-CB 4.1Å
443	Q	85	Confident	82.9	Confident	95 Å²	95	48.9 Å²	48.9	44%	0.444	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.8	-177.8	-169.8	173.3	39.3	0	0	110.4	L299 L441 K447	L299-Q443 WeakPolarHBondContact CD1-O 3.49Å; L441-Q443 HydrophobicContact CD1-CB 4.41Å; Q443-K447 CarbonylContact C-O 3.6Å; Q443-K447 WeakPolarHBondContact CA-O 3.3Å
444	A	83.1	Confident	83.1	Confident	2 Å²	2	46.4 Å²	46.4	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.6	-178	0	0	0	0	0	110.5	L299 L442 G446 K447 F449 F454 F468 F476	L299-A444 HydrophobicContact CD1-CB 3.65Å; L442-A444 HydrophobicContact CD2-CB 4.05Å; A444-G446 VanDerWaalsContact C-N 3.26Å; A444-G446 PolarHBondContact O-N 3.43Å; A444-K447 PolarHBondContact N-O 3.31Å; A444-K447 PolarHBondContact O-N 3.03Å; A444-K447 VanDerWaalsContact O-O 3.1Å; A444-F449 HydrophobicContact CB-CD2 4.23Å; A444-F449 HydrophobicContact CB-CE2 4.11Å; A444-F454 HydrophobicContact CB-CD2 4.17Å; A444-F454 HydrophobicContact CB-CE2 3.37Å; A444-F454 HydrophobicContact CB-CZ 3.68Å; A444-F468 HydrophobicContact CB-CZ 4.22Å; A444-F476 HydrophobicContact CB-CD1 4.42Å; A444-F476 HydrophobicContact CB-CE1 3.63Å; A444-F476 HydrophobicContact CB-CZ 4.07Å
445	G	81.3	Confident	83.5	Confident	65 Å²	65	49.1 Å²	49.1	67%	0.67	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	35.1	178.5	0	0	0	0	0	114.3	K447	G445-K447 PolarHBondContact O-N 3.43Å
446	G	84.1	Confident	84	Confident	69 Å²	69	46.4 Å²	46.4	71%	0.711	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	3.6	-176.1	0	0	0	0	0	115.4	A444	A444-G446 VanDerWaalsContact C-N 3.26Å; A444-G446 PolarHBondContact O-N 3.43Å
447	K	86.2	Confident	84.4	Confident	58 Å²	58	47 Å²	47	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	152.9	176.7	-61.2	171.6	176.5	-172.9	0	110.1	H431 Q443 A444 G445 F449 G474 F476	H431-K447 HydrophobicContact CB-CB 4.26Å; H431-K447 HydrophobicContact CB-CD 4.49Å; H431-K447 PolarHBondContact NE2-NZ 3.09Å; Q443-K447 CarbonylContact C-O 3.6Å; Q443-K447 WeakPolarHBondContact CA-O 3.3Å; A444-K447 PolarHBondContact N-O 3.31Å; A444-K447 PolarHBondContact O-N 3.03Å; A444-K447 VanDerWaalsContact O-O 3.1Å; G445-K447 PolarHBondContact O-N 3.43Å; K447-F449 HydrophobicContact CB-CE2 3.63Å; K447-F449 HydrophobicContact CB-CZ 3.85Å; K447-F449 HydrophobicContact CD-CZ 4.29Å; K447-G474 PolarHBondContact NZ-O 3.1Å; K447-F476 HydrophobicContact CD-CE2 4.37Å
448	C	86.5	Confident	84.7	Confident	10 Å²	10	50.8 Å²	50.8	7%	0.068	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.7	-176	-58	0	0	0	0	111.2	E428 C430 H431 I437 L442	E428-C448 HydrophobicContact CB-CB 4.29Å; E428-C448 VanDerWaalsContact CD-SG 3.55Å; E428-C448 PolarHBondContact OE2-SG 2.92Å; C430-C448 CarbonylContact C-O 3.53Å; C430-C448 VanDerWaalsContact CA-O 3.32Å; C430-C448 WeakPolarHBondContact CA-O 3.5Å; H431-C448 PolarHBondContact N-O 3.43Å; I437-C448 HydrophobicContact CD1-CB 3.85Å; L442-C448 CarbonylContact O-C 3.53Å; L442-C448 WeakPolarHBondContact O-CA 3.34Å
449	F	88.8	Confident	85.5	Confident	7 Å²	7	51 Å²	51	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.9	-172.4	-59.6	-87.3	0	0	0	110.9	H431 L442 A444 K447 F454 F476	H431-F449 HydrophobicContact CB-CD1 4.4Å; H431-F449 HydrophobicContact CB-CE1 3.74Å; H431-F449 HydrophobicContact CB-CZ 3.92Å; L442-F449 PolarHBondContact N-O 3.38Å; L442-F449 PolarHBondContact O-N 3Å; A444-F449 HydrophobicContact CB-CD2 4.23Å; A444-F449 HydrophobicContact CB-CE2 4.11Å; K447-F449 HydrophobicContact CB-CE2 3.63Å; K447-F449 HydrophobicContact CB-CZ 3.85Å; K447-F449 HydrophobicContact CD-CZ 4.29Å; F449-F454 HydrophobicContact CB-CB 4.16Å; F449-F454 AromaticContact CD2-CD2 3.97Å; F449-F454 HydrophobicContact CD2-CD2 3.97Å; F449-F454 HydrophobicContact CE2-CD2 4.38Å; F449-F454 HydrophobicContact CG-CD2 4.13Å; F449-F476 HydrophobicContact CE1-CE2 4.4Å; F449-F476 AromaticContact CE2-CE2 3.87Å; F449-F476 HydrophobicContact CE2-CE2 3.87Å; F449-F476 AromaticContact CE2-CZ 3.86Å; F449-F476 HydrophobicContact CE2-CZ 3.86Å; F449-F476 HydrophobicContact CZ-CD2 4.09Å; F449-F476 AromaticContact CZ-CE2 3.43Å; F449-F476 HydrophobicContact CZ-CE2 3.43Å; F449-F476 VanDerWaalsContact CZ-CE2 3.43Å; F449-F476 AromaticContact CZ-CZ 3.92Å; F449-F476 HydrophobicContact CZ-CZ 3.92Å
450	H	86.5	Confident	86.6	Confident	39 Å²	39	55.2 Å²	55.2	18%	0.181	31%	0.307	C	S	.	.			trans	-65.3	144.5	158.2	-53.9	93.2	0	0	0	109	C430 C433 L436 Q452 C453 F454	C430-H450 WeakPolarHBondContact CB-CE1 3.29Å; C430-H450 WeakPolarHBondContact CB-ND1 3.34Å; C430-H450 PolarHBondContact SG-ND1 3.3Å; C433-H450 PolarHBondContact SG-CE1 3.32Å; C433-H450 PolarHBondContact SG-ND1 3.13Å; C433-H450 VanDerWaalsContact SG-ND1 3.38Å; L436-H450 PolarHBondContact O-NE2 3.44Å; H450-Q452 PolarHBondContact O-N 3.4Å; H450-Q452 VanDerWaalsContact O-N 3.13Å; H450-C453 HydrophobicContact CB-CB 4.11Å; H450-C453 WeakPolarHBondContact O-CA 3.48Å; H450-C453 PolarHBondContact O-N 2.96Å; H450-F454 PolarHBondContact O-N 3.06Å; H450-F454 VanDerWaalsContact O-N 3.13Å
451	P	85.3	Confident	87.3	Confident	36 Å²	36	53.5 Å²	53.5	23%	0.234	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.8	176.5	-28.6	34.4	0	0	0	113.5	M440	M440-P451 HydrophobicContact CB-CG 3.96Å; M440-P451 VanDerWaalsContact O-CD 3.26Å; M440-P451 WeakPolarHBondContact O-CD 3.32Å
452	Q	84.4	Confident	87.7	Confident	130 Å²	130	53.3 Å²	53.3	61%	0.607	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.3	176.2	-68.4	-176.5	-18.9	0	0	114.4	H450 R455	H450-Q452 PolarHBondContact O-N 3.4Å; H450-Q452 VanDerWaalsContact O-N 3.13Å; Q452-R455 PolarHBondContact O-NE 2.69Å; Q452-R455 PolarHBondContact O-NH2 3.43Å
453	C	88.6	Confident	87.9	Confident	33 Å²	33	53 Å²	53	22%	0.223	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-15.6	177.3	-65.1	0	0	0	0	112.7	H450 R455	H450-C453 HydrophobicContact CB-CB 4.11Å; H450-C453 WeakPolarHBondContact O-CA 3.48Å; H450-C453 PolarHBondContact O-N 2.96Å; C453-R455 PolarHBondContact O-N 2.85Å
454	F	91.8	Very high	87.9	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	30%	0.297	C	S	.	.			trans	-76.8	88	176.3	-169.8	-120.4	0	0	0	111	L299 L442 A444 F449 H450 L463 F468 F476	L299-F454 HydrophobicContact CD1-CE1 4.5Å; L299-F454 HydrophobicContact CD1-CZ 4.39Å; L442-F454 HydrophobicContact CD1-CB 3.93Å; L442-F454 HydrophobicContact CD1-CD1 3.62Å; L442-F454 HydrophobicContact CD1-CE1 4.44Å; L442-F454 HydrophobicContact CD1-CG 3.97Å; L442-F454 HydrophobicContact CD2-CB 4.06Å; L442-F454 HydrophobicContact CD2-CD1 3.54Å; L442-F454 HydrophobicContact CD2-CD2 3.84Å; L442-F454 HydrophobicContact CD2-CE1 3.88Å; L442-F454 HydrophobicContact CD2-CE2 4.18Å; L442-F454 HydrophobicContact CD2-CG 3.53Å; L442-F454 HydrophobicContact CD2-CZ 4.2Å; L442-F454 HydrophobicContact CG-CD1 4.26Å; L442-F454 HydrophobicContact CG-CG 4.38Å; A444-F454 HydrophobicContact CB-CD2 4.17Å; A444-F454 HydrophobicContact CB-CE2 3.37Å; A444-F454 HydrophobicContact CB-CZ 3.68Å; F449-F454 HydrophobicContact CB-CB 4.16Å; F449-F454 AromaticContact CD2-CD2 3.97Å; F449-F454 HydrophobicContact CD2-CD2 3.97Å; F449-F454 HydrophobicContact CE2-CD2 4.38Å; F449-F454 HydrophobicContact CG-CD2 4.13Å; H450-F454 PolarHBondContact O-N 3.06Å; H450-F454 VanDerWaalsContact O-N 3.13Å; F454-L463 HydrophobicContact CD1-CB 3.54Å; F454-L463 HydrophobicContact CE1-CB 3.32Å; F454-L463 WeakPolarHBondContact CE1-O 3.23Å; F454-L463 HydrophobicContact CG-CB 4.33Å; F454-L463 HydrophobicContact CZ-CB 3.95Å; F454-L463 HydrophobicContact CZ-CD1 4.35Å; F454-L463 PolarHBondContact O-N 3.07Å; F454-F468 HydrophobicContact CE1-CD1 4.02Å; F454-F468 HydrophobicContact CE1-CE1 4.08Å; F454-F468 HydrophobicContact CE1-CG 4.47Å; F454-F468 AromaticContact CZ-CD1 3.83Å; F454-F468 HydrophobicContact CZ-CD1 3.83Å; F454-F468 HydrophobicContact CZ-CD2 4.02Å; F454-F468 AromaticContact CZ-CE1 3.75Å; F454-F468 HydrophobicContact CZ-CE1 3.75Å; F454-F468 AromaticContact CZ-CE2 3.94Å; F454-F468 HydrophobicContact CZ-CE2 3.94Å; F454-F468 AromaticContact CZ-CG 3.98Å; F454-F468 HydrophobicContact CZ-CG 3.98Å; F454-F468 AromaticContact CZ-CZ 3.81Å; F454-F468 HydrophobicContact CZ-CZ 3.81Å; F454-F476 HydrophobicContact CE2-CB 4.43Å; F454-F476 AromaticContact CE2-CD1 3.52Å; F454-F476 HydrophobicContact CE2-CD1 3.52Å; F454-F476 AromaticContact CE2-CE1 3.87Å; F454-F476 HydrophobicContact CE2-CE1 3.87Å; F454-F476 AromaticContact CE2-CG 3.93Å; F454-F476 HydrophobicContact CE2-CG 3.93Å; F454-F476 HydrophobicContact CZ-CD1 4.04Å; F454-F476 HydrophobicContact CZ-CE1 4.47Å
455	R	92.5	Very high	87.9	Confident	105 Å²	105	54.5 Å²	54.5	40%	0.396	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-133.6	151.2	-172.6	-67.9	174.4	-179.1	-85.7	-5.2	112.3	Q452 C453 C457 K460 V461 C462	Q452-R455 PolarHBondContact O-NE 2.69Å; Q452-R455 PolarHBondContact O-NH2 3.43Å; C453-R455 PolarHBondContact O-N 2.85Å; R455-C457 PolarHBondContact O-N 2.73Å; R455-K460 VanDerWaalsContact CD-O 3.29Å; R455-K460 WeakPolarHBondContact CD-O 3.46Å; R455-K460 WeakPolarHBondContact CG-O 3.49Å; R455-K460 PolarHBondContact NH1-O 2.79Å; R455-V461 CarbonylContact C-O 3.57Å; R455-V461 WeakPolarHBondContact CA-O 3.43Å; R455-C462 PolarHBondContact NH1-SG 2.92Å; R455-C462 VanDerWaalsContact NH1-SG 3.42Å; R455-C462 PolarHBondContact NH2-SG 3.41Å; R455-C462 VanDerWaalsContact NH2-SG 3.45Å
456	C	93.2	Very high	88	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	32%	0.318	C	S	.	.			trans	-59.5	131.4	172.4	178	0	0	0	0	110.7	K458 C459 K460 V461 L463 F476 C478 D481	C456-K458 PolarHBondContact O-N 2.99Å; C456-K458 PolarHBondContact SG-N 3.14Å; C456-K458 VanDerWaalsContact SG-N 3.42Å; C456-C459 WeakPolarHBondContact CB-SG 3.41Å; C456-C459 VanDerWaalsContact SG-SG 3.65Å; C456-K460 VanDerWaalsContact O-CA 3.23Å; C456-K460 WeakPolarHBondContact O-CA 3.43Å; C456-K460 PolarHBondContact O-N 3.42Å; C456-V461 PolarHBondContact N-O 3.19Å; C456-L463 HydrophobicContact CB-CD1 4.39Å; C456-L463 HydrophobicContact CB-CD2 4.18Å; C456-L463 HydrophobicContact CB-CG 4.4Å; C456-F476 WeakPolarHBondContact CA-O 3.37Å; C456-C478 HydrophobicContact CB-CB 4.49Å; C456-C478 PolarHBondContact SG-N 3.19Å; C456-C478 VanDerWaalsContact SG-N 3.45Å; C456-D481 PolarHBondContact SG-OD2 3.42Å
457	C	90.2	Very high	88	Confident	53 Å²	53	54.4 Å²	54.4	36%	0.358	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.1	178.6	-70.1	0	0	0	0	113.3	R455 K460 F476 F477	R455-C457 PolarHBondContact O-N 2.73Å; C457-K460 WeakPolarHBondContact O-CE 3.49Å; C457-K460 PolarHBondContact O-NZ 3.06Å; C457-F476 PolarHBondContact N-O 3.3Å; C457-F476 PolarHBondContact SG-O 2.99Å; C457-F476 VanDerWaalsContact SG-O 3.41Å; C457-F477 HydrophobicContact CB-CD1 4.22Å; C457-F477 HydrophobicContact CB-CE1 3.74Å; C457-F477 HydrophobicContact CB-CZ 4.01Å
458	K	88.5	Confident	88.1	Confident	90 Å²	90	51.9 Å²	51.9	39%	0.391	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-70.4	-178.6	-165.4	-150.8	-175.1	-173.1	0	112	C456 K460 F477 D481 L485	C456-K458 PolarHBondContact O-N 2.99Å; C456-K458 PolarHBondContact SG-N 3.14Å; C456-K458 VanDerWaalsContact SG-N 3.42Å; K458-K460 PolarHBondContact O-N 3.45Å; K458-F477 HydrophobicContact CB-CD1 4.25Å; K458-F477 HydrophobicContact CB-CE1 4.24Å; K458-D481 HydrophobicContact CB-CB 4.36Å; K458-D481 HydrophobicContact CD-CB 3.8Å; K458-D481 WeakPolarHBondContact CD-OD1 3.45Å; K458-D481 IonicContact NZ-OD1 3.49Å; K458-D481 PolarHBondContact NZ-OD1 2.66Å; K458-L485 HydrophobicContact CB-CD1 4.33Å; K458-L485 HydrophobicContact CD-CD1 3.93Å; K458-L485 HydrophobicContact CD-CG 4.24Å; K458-L485 HydrophobicContact CG-CD1 4.28Å
459	C	92.2	Very high	88.1	Confident	56 Å²	56	51.8 Å²	51.8	38%	0.378	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.7	-177.8	66	0	0	0	0	116.6	C456 V461 D481	C456-C459 WeakPolarHBondContact CB-SG 3.41Å; C456-C459 VanDerWaalsContact SG-SG 3.65Å; C459-V461 HydrophobicContact CB-CG2 4.2Å; C459-V461 PolarHBondContact O-N 3.04Å; C459-D481 WeakPolarHBondContact CB-OD2 3.14Å; C459-D481 PolarHBondContact N-OD2 3.45Å; C459-D481 PolarHBondContact SG-OD2 2.96Å
460	K	89.9	Confident	88	Confident	130 Å²	130	54.1 Å²	54.1	57%	0.565	31%	0.308	S	S	*	.			trans	58.6	8.6	-178.6	-48.4	-55	-170.6	-169	0	116.4	R455 C456 C457 K458	R455-K460 VanDerWaalsContact CD-O 3.29Å; R455-K460 WeakPolarHBondContact CD-O 3.46Å; R455-K460 WeakPolarHBondContact CG-O 3.49Å; R455-K460 PolarHBondContact NH1-O 2.79Å; C456-K460 VanDerWaalsContact O-CA 3.23Å; C456-K460 WeakPolarHBondContact O-CA 3.43Å; C456-K460 PolarHBondContact O-N 3.42Å; C457-K460 WeakPolarHBondContact O-CE 3.49Å; C457-K460 PolarHBondContact O-NZ 3.06Å; K458-K460 PolarHBondContact O-N 3.45Å
461	V	89.8	Confident	88	Confident	82 Å²	82	52.9 Å²	52.9	50%	0.497	30%	0.303	S	S	.	.			trans	-64.9	142.3	172.2	178.6	0	0	0	0	110	R455 C456 C459 L463	R455-V461 CarbonylContact C-O 3.57Å; R455-V461 WeakPolarHBondContact CA-O 3.43Å; C456-V461 PolarHBondContact N-O 3.19Å; C459-V461 HydrophobicContact CB-CG2 4.2Å; C459-V461 PolarHBondContact O-N 3.04Å; V461-L463 PolarHBondContact O-N 3.21Å
462	C	89	Confident	87.8	Confident	47 Å²	47	59.1 Å²	59.1	32%	0.318	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-60.4	130.2	173	-60.4	0	0	0	0	110.3	R455 D464	R455-C462 PolarHBondContact NH1-SG 2.92Å; R455-C462 VanDerWaalsContact NH1-SG 3.42Å; R455-C462 PolarHBondContact NH2-SG 3.41Å; R455-C462 VanDerWaalsContact NH2-SG 3.45Å; C462-D464 VanDerWaalsContact C-N 3.33Å
463	L	89.2	Confident	87.7	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	34%	0.336	C	S	.	.			trans	-92.8	5.9	177	-64.1	175.1	0	0	0	112.3	F454 C456 V461 G465 V466 F468 F476 C478	F454-L463 HydrophobicContact CD1-CB 3.54Å; F454-L463 HydrophobicContact CE1-CB 3.32Å; F454-L463 WeakPolarHBondContact CE1-O 3.23Å; F454-L463 HydrophobicContact CG-CB 4.33Å; F454-L463 HydrophobicContact CZ-CB 3.95Å; F454-L463 HydrophobicContact CZ-CD1 4.35Å; F454-L463 PolarHBondContact O-N 3.07Å; C456-L463 HydrophobicContact CB-CD1 4.39Å; C456-L463 HydrophobicContact CB-CD2 4.18Å; C456-L463 HydrophobicContact CB-CG 4.4Å; V461-L463 PolarHBondContact O-N 3.21Å; L463-G465 PolarHBondContact O-N 3.46Å; L463-V466 PolarHBondContact O-N 3.16Å; L463-F468 HydrophobicContact CB-CB 4.36Å; L463-F468 HydrophobicContact CD1-CB 3.92Å; L463-F468 HydrophobicContact CD1-CG 4.49Å; L463-F468 HydrophobicContact CD2-CB 4.08Å; L463-F468 HydrophobicContact CG-CB 4.35Å; L463-F476 HydrophobicContact CD1-CB 3.91Å; L463-C478 HydrophobicContact CD2-CB 3.65Å
464	D	84.7	Confident	87.5	Confident	58 Å²	58	58.9 Å²	58.9	31%	0.31	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	116.6	177.1	-174.4	27.6	0	0	0	111.3	K301 L442 C462 V466	K301-D464 WeakPolarHBondContact CE-OD1 3.45Å; K301-D464 IonicContact NZ-OD1 2.82Å; K301-D464 PolarHBondContact NZ-OD1 2.93Å; K301-D464 IonicContact NZ-OD2 2.66Å; K301-D464 PolarHBondContact NZ-OD2 2.97Å; L442-D464 HydrophobicContact CD1-CB 4.1Å; C462-D464 VanDerWaalsContact C-N 3.33Å; D464-V466 PolarHBondContact O-N 2.84Å
465	G	83.4	Confident	87.3	Confident	72 Å²	72	63.2 Å²	63.2	74%	0.742	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	0.7	-175.6	0	0	0	0	0	115.2	L463	L463-G465 PolarHBondContact O-N 3.46Å
466	V	83.6	Confident	87.1	Confident	63 Å²	63	58.8 Å²	58.8	38%	0.382	34%	0.335	S	S	.	.	S	Bend	trans	-103.1	135.5	178.1	-178	0	0	0	0	108.7	L463 D464 F468	L463-V466 PolarHBondContact O-N 3.16Å; D464-V466 PolarHBondContact O-N 2.84Å; V466-F468 PolarHBondContact O-N 2.97Å
467	P	84.7	Confident	87	Confident	68 Å²	68	59.2 Å²	59.2	44%	0.442	34%	0.337	S	S	.	.			trans	-60.5	135.6	174.9	25.9	-34.7	0	0	0	110.7	I296 V479	I296-P467 HydrophobicContact CG2-CB 3.77Å; P467-V479 HydrophobicContact CB-CG2 3.96Å; P467-V479 HydrophobicContact CG-CG2 4.36Å
468	F	87.5	Confident	87	Confident	5 Å²	5	57.6 Å²	57.6	2%	0.022	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	165.3	-175.7	72.1	-87.9	0	0	0	110.7	L299 A444 F454 L463 V466 V470 F476 F477	L299-F468 HydrophobicContact CB-CE1 4.31Å; L299-F468 HydrophobicContact CD1-CE1 3.52Å; L299-F468 HydrophobicContact CD1-CZ 3.56Å; A444-F468 HydrophobicContact CB-CZ 4.22Å; F454-F468 HydrophobicContact CE1-CD1 4.02Å; F454-F468 HydrophobicContact CE1-CE1 4.08Å; F454-F468 HydrophobicContact CE1-CG 4.47Å; F454-F468 AromaticContact CZ-CD1 3.83Å; F454-F468 HydrophobicContact CZ-CD1 3.83Å; F454-F468 HydrophobicContact CZ-CD2 4.02Å; F454-F468 AromaticContact CZ-CE1 3.75Å; F454-F468 HydrophobicContact CZ-CE1 3.75Å; F454-F468 AromaticContact CZ-CE2 3.94Å; F454-F468 HydrophobicContact CZ-CE2 3.94Å; F454-F468 AromaticContact CZ-CG 3.98Å; F454-F468 HydrophobicContact CZ-CG 3.98Å; F454-F468 AromaticContact CZ-CZ 3.81Å; F454-F468 HydrophobicContact CZ-CZ 3.81Å; L463-F468 HydrophobicContact CB-CB 4.36Å; L463-F468 HydrophobicContact CD1-CB 3.92Å; L463-F468 HydrophobicContact CD1-CG 4.49Å; L463-F468 HydrophobicContact CD2-CB 4.08Å; L463-F468 HydrophobicContact CG-CB 4.35Å; V466-F468 PolarHBondContact O-N 2.97Å; F468-V470 HydrophobicContact CD2-CG2 4.2Å; F468-V470 HydrophobicContact CE2-CG2 3.83Å; F468-F476 AromaticContact CD2-CD1 3.81Å; F468-F476 HydrophobicContact CD2-CD1 3.81Å; F468-F476 HydrophobicContact CD2-CE1 4.44Å; F468-F476 AromaticContact CE2-CD1 3.74Å; F468-F476 HydrophobicContact CE2-CD1 3.74Å; F468-F476 AromaticContact CE2-CE1 3.91Å; F468-F476 HydrophobicContact CE2-CE1 3.91Å; F468-F477 WeakPolarHBondContact CA-O 3.33Å; F468-F477 WeakPolarHBondContact CB-O 3.44Å
469	T	86.4	Confident	86.9	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.055	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.7	174.9	56.2	0	0	0	0	110.1	F477 V479 Y482	T469-F477 PolarHBondContact N-O 3.07Å; T469-F477 PolarHBondContact O-N 3.34Å; T469-V479 HydrophobicContact CG2-CG2 4.39Å; T469-Y482 HydrophobicContact CG2-CD1 4.16Å; T469-Y482 HydrophobicContact CG2-CG 4.3Å; T469-Y482 WeakPolarHBondContact OG1-CB 3.3Å; T469-Y482 WeakPolarHBondContact OG1-CD2 3.39Å
470	V	87.4	Confident	86.5	Confident	55 Å²	55	58.5 Å²	58.5	33%	0.333	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.7	178.7	-172.1	0	0	0	0	108.2	F468 R475 F476	F468-V470 HydrophobicContact CD2-CG2 4.2Å; F468-V470 HydrophobicContact CE2-CG2 3.83Å; V470-R475 WeakPolarHBondContact CA-O 3.05Å; V470-F476 HydrophobicContact CG1-CE1 4.46Å; V470-F476 HydrophobicContact CG2-CD1 3.67Å; V470-F476 HydrophobicContact CG2-CE1 3.48Å; V470-F476 VanDerWaalsContact CG2-CE1 3.48Å; V470-F476 HydrophobicContact CG2-CZ 4.29Å
471	D	85.1	Confident	86.3	Confident	14 Å²	14	53.1 Å²	53.1	8%	0.075	31%	0.305	C	S	.	.			trans	-73.4	159.6	174.5	165.7	36.4	0	0	0	110.8	Q473 G474 R475 F477 Y482 F486	D471-Q473 PolarHBondContact O-N 2.83Å; D471-G474 WeakPolarHBondContact O-CA 3.08Å; D471-G474 PolarHBondContact O-N 3.27Å; D471-R475 HydrophobicContact CB-CB 4.43Å; D471-R475 PolarHBondContact N-O 3.29Å; D471-R475 IonicContact OD2-CZ 3.54Å; D471-R475 IonicContact OD2-NE 2.65Å; D471-R475 PolarHBondContact OD2-NE 2.98Å; D471-R475 IonicContact OD2-NH2 3.65Å; D471-R475 PolarHBondContact OD2-NH2 2.98Å; D471-F477 HydrophobicContact CB-CD2 4.14Å; D471-F477 HydrophobicContact CB-CE2 3.83Å; D471-Y482 HydrophobicContact CB-CE2 4.48Å; D471-F486 HydrophobicContact CB-CE2 4.35Å; D471-F486 HydrophobicContact CB-CZ 4.07Å
472	N	82.5	Confident	86.2	Confident	167 Å²	167	51.1 Å²	51.1	89%	0.893	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.3	178.3	-65.4	-18.8	0	0	0	113.1	G474	N472-G474 PolarHBondContact O-N 3.45Å
473	Q	82.6	Confident	85.9	Confident	137 Å²	137	49.7 Å²	49.7	64%	0.64	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	3.9	174	-56.4	-172.1	1.9	0	0	113.8	D471 R475	D471-Q473 PolarHBondContact O-N 2.83Å; Q473-R475 VanDerWaalsContact C-N 3.33Å; Q473-R475 HydrophobicContact CB-CG 4.05Å; Q473-R475 PolarHBondContact O-N 3.33Å; Q473-R475 VanDerWaalsContact OE1-NH1 3.12Å
474	G	84.5	Confident	85.5	Confident	20 Å²	20	52.6 Å²	52.6	21%	0.206	30%	0.295	C	S	.	.	S	Bend	trans	69.1	28.9	-177.4	0	0	0	0	0	114	K447 D471 N472	K447-G474 PolarHBondContact NZ-O 3.1Å; D471-G474 WeakPolarHBondContact O-CA 3.08Å; D471-G474 PolarHBondContact O-N 3.27Å; N472-G474 PolarHBondContact O-N 3.45Å
475	R	86.5	Confident	85.4	Confident	93 Å²	93	54 Å²	54	35%	0.351	30%	0.302	S	S	.	.			trans	-99.5	145.8	178.7	-61.1	-177.8	-60.9	-172.5	-0.2	110.3	V470 D471 Q473 F477	V470-R475 WeakPolarHBondContact CA-O 3.05Å; D471-R475 HydrophobicContact CB-CB 4.43Å; D471-R475 PolarHBondContact N-O 3.29Å; D471-R475 IonicContact OD2-CZ 3.54Å; D471-R475 IonicContact OD2-NE 2.65Å; D471-R475 PolarHBondContact OD2-NE 2.98Å; D471-R475 IonicContact OD2-NH2 3.65Å; D471-R475 PolarHBondContact OD2-NH2 2.98Å; Q473-R475 VanDerWaalsContact C-N 3.33Å; Q473-R475 HydrophobicContact CB-CG 4.05Å; Q473-R475 PolarHBondContact O-N 3.33Å; Q473-R475 VanDerWaalsContact OE1-NH1 3.12Å; R475-F477 HydrophobicContact CB-CD2 4.5Å; R475-F477 HydrophobicContact CB-CE2 3.76Å; R475-F477 HydrophobicContact CB-CZ 4.34Å
476	F	89.1	Confident	85.4	Confident	13 Å²	13	54 Å²	54	6%	0.057	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.5	-173.4	-63.2	-93.5	0	0	0	111.4	A444 K447 F449 F454 C456 C457 L463 F468 V470	A444-F476 HydrophobicContact CB-CD1 4.42Å; A444-F476 HydrophobicContact CB-CE1 3.63Å; A444-F476 HydrophobicContact CB-CZ 4.07Å; K447-F476 HydrophobicContact CD-CE2 4.37Å; F449-F476 HydrophobicContact CE1-CE2 4.4Å; F449-F476 AromaticContact CE2-CE2 3.87Å; F449-F476 HydrophobicContact CE2-CE2 3.87Å; F449-F476 AromaticContact CE2-CZ 3.86Å; F449-F476 HydrophobicContact CE2-CZ 3.86Å; F449-F476 HydrophobicContact CZ-CD2 4.09Å; F449-F476 AromaticContact CZ-CE2 3.43Å; F449-F476 HydrophobicContact CZ-CE2 3.43Å; F449-F476 VanDerWaalsContact CZ-CE2 3.43Å; F449-F476 AromaticContact CZ-CZ 3.92Å; F449-F476 HydrophobicContact CZ-CZ 3.92Å; F454-F476 HydrophobicContact CE2-CB 4.43Å; F454-F476 AromaticContact CE2-CD1 3.52Å; F454-F476 HydrophobicContact CE2-CD1 3.52Å; F454-F476 AromaticContact CE2-CE1 3.87Å; F454-F476 HydrophobicContact CE2-CE1 3.87Å; F454-F476 AromaticContact CE2-CG 3.93Å; F454-F476 HydrophobicContact CE2-CG 3.93Å; F454-F476 HydrophobicContact CZ-CD1 4.04Å; F454-F476 HydrophobicContact CZ-CE1 4.47Å; C456-F476 WeakPolarHBondContact CA-O 3.37Å; C457-F476 PolarHBondContact N-O 3.3Å; C457-F476 PolarHBondContact SG-O 2.99Å; C457-F476 VanDerWaalsContact SG-O 3.41Å; L463-F476 HydrophobicContact CD1-CB 3.91Å; F468-F476 AromaticContact CD2-CD1 3.81Å; F468-F476 HydrophobicContact CD2-CD1 3.81Å; F468-F476 HydrophobicContact CD2-CE1 4.44Å; F468-F476 AromaticContact CE2-CD1 3.74Å; F468-F476 HydrophobicContact CE2-CD1 3.74Å; F468-F476 AromaticContact CE2-CE1 3.91Å; F468-F476 HydrophobicContact CE2-CE1 3.91Å; V470-F476 HydrophobicContact CG1-CE1 4.46Å; V470-F476 HydrophobicContact CG2-CD1 3.67Å; V470-F476 HydrophobicContact CG2-CE1 3.48Å; V470-F476 VanDerWaalsContact CG2-CE1 3.48Å; V470-F476 HydrophobicContact CG2-CZ 4.29Å
477	F	89.8	Confident	85.4	Confident	10 Å²	10	51.7 Å²	51.7	4%	0.044	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.8	178.4	-64.1	-87.1	0	0	0	110	C457 K458 F468 T469 D471 R475 Y482 L485 F486	C457-F477 HydrophobicContact CB-CD1 4.22Å; C457-F477 HydrophobicContact CB-CE1 3.74Å; C457-F477 HydrophobicContact CB-CZ 4.01Å; K458-F477 HydrophobicContact CB-CD1 4.25Å; K458-F477 HydrophobicContact CB-CE1 4.24Å; F468-F477 WeakPolarHBondContact CA-O 3.33Å; F468-F477 WeakPolarHBondContact CB-O 3.44Å; T469-F477 PolarHBondContact N-O 3.07Å; T469-F477 PolarHBondContact O-N 3.34Å; D471-F477 HydrophobicContact CB-CD2 4.14Å; D471-F477 HydrophobicContact CB-CE2 3.83Å; R475-F477 HydrophobicContact CB-CD2 4.5Å; R475-F477 HydrophobicContact CB-CE2 3.76Å; R475-F477 HydrophobicContact CB-CZ 4.34Å; F477-Y482 HydrophobicContact CB-CD2 4.45Å; F477-Y482 HydrophobicContact CD2-CD2 4.4Å; F477-L485 HydrophobicContact CD1-CD1 3.94Å; F477-L485 HydrophobicContact CE1-CD1 3.57Å; F477-L485 HydrophobicContact CZ-CD1 4.3Å; F477-F486 AromaticContact CD2-CE2 3.91Å; F477-F486 HydrophobicContact CD2-CE2 3.91Å; F477-F486 AromaticContact CE2-CE2 3.68Å; F477-F486 HydrophobicContact CE2-CE2 3.68Å; F477-F486 AromaticContact CE2-CZ 3.88Å; F477-F486 HydrophobicContact CE2-CZ 3.88Å; F477-F486 HydrophobicContact CG-CE2 4.44Å; F477-F486 HydrophobicContact CZ-CE2 4.02Å; F477-F486 HydrophobicContact CZ-CZ 4.13Å
478	C	90.3	Very high	85.5	Confident	19 Å²	19	49.8 Å²	49.8	13%	0.128	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	153.3	164.5	66	0	0	0	0	109	C456 L463 Q480 D481 Y482	C456-C478 HydrophobicContact CB-CB 4.49Å; C456-C478 PolarHBondContact SG-N 3.19Å; C456-C478 VanDerWaalsContact SG-N 3.45Å; L463-C478 HydrophobicContact CD2-CB 3.65Å; C478-Q480 VanDerWaalsContact C-N 3.26Å; C478-Q480 PolarHBondContact O-N 3.45Å; C478-D481 PolarHBondContact O-N 3.29Å; C478-D481 VanDerWaalsContact SG-CB 3.54Å; C478-D481 VanDerWaalsContact SG-CG 3.54Å; C478-D481 PolarHBondContact SG-N 3.19Å; C478-D481 PolarHBondContact SG-OD2 3.41Å; C478-Y482 PolarHBondContact O-N 3.38Å
479	V	86	Confident	85.6	Confident	31 Å²	31	54.4 Å²	54.4	19%	0.188	28%	0.282	C	S	.	.	H	α-helix	trans	-49	-48.3	179.6	172	0	0	0	0	111.2	I296 P467 T469 D481 Y482 H483	I296-V479 HydrophobicContact CD1-CG1 4.39Å; I296-V479 HydrophobicContact CD1-CG2 4.1Å; I296-V479 HydrophobicContact CG1-CG2 4.2Å; I296-V479 HydrophobicContact CG2-CG2 4.23Å; P467-V479 HydrophobicContact CB-CG2 3.96Å; P467-V479 HydrophobicContact CG-CG2 4.36Å; T469-V479 HydrophobicContact CG2-CG2 4.39Å; V479-D481 PolarHBondContact O-N 3.42Å; V479-Y482 PolarHBondContact O-N 3.26Å; V479-H483 PolarHBondContact O-CD2 2.67Å; V479-H483 PolarHBondContact O-N 3.2Å
480	Q	84.4	Confident	85.9	Confident	133 Å²	133	54 Å²	54	62%	0.621	28%	0.28	S	S	*	.	H	α-helix	trans	-58.4	-44.6	-179.9	-170.1	61.4	47.7	0	0	113.3	C478 T484	C478-Q480 VanDerWaalsContact C-N 3.26Å; C478-Q480 PolarHBondContact O-N 3.45Å; Q480-T484 WeakPolarHBondContact O-CB 3.47Å; Q480-T484 PolarHBondContact O-N 3.12Å; Q480-T484 VanDerWaalsContact O-N 3.1Å; Q480-T484 PolarHBondContact O-OG1 3.15Å
481	D	86.7	Confident	86.1	Confident	18 Å²	18	53.3 Å²	53.3	10%	0.096	28%	0.28	C	S	.	.	H	α-helix	trans	-72.8	-37.6	-179.4	-82.2	-27.7	0	0	0	112.6	C456 K458 C459 C478 V479 T484 L485	C456-D481 PolarHBondContact SG-OD2 3.42Å; K458-D481 HydrophobicContact CB-CB 4.36Å; K458-D481 HydrophobicContact CD-CB 3.8Å; K458-D481 WeakPolarHBondContact CD-OD1 3.45Å; K458-D481 IonicContact NZ-OD1 3.49Å; K458-D481 PolarHBondContact NZ-OD1 2.66Å; C459-D481 WeakPolarHBondContact CB-OD2 3.14Å; C459-D481 PolarHBondContact N-OD2 3.45Å; C459-D481 PolarHBondContact SG-OD2 2.96Å; C478-D481 PolarHBondContact O-N 3.29Å; C478-D481 VanDerWaalsContact SG-CB 3.54Å; C478-D481 VanDerWaalsContact SG-CG 3.54Å; C478-D481 PolarHBondContact SG-N 3.19Å; C478-D481 PolarHBondContact SG-OD2 3.41Å; V479-D481 PolarHBondContact O-N 3.42Å; D481-T484 PolarHBondContact O-N 3.49Å; D481-L485 WeakPolarHBondContact O-CB 3.36Å; D481-L485 VanDerWaalsContact O-CG 3.3Å; D481-L485 WeakPolarHBondContact O-CG 3.36Å; D481-L485 PolarHBondContact O-N 2.88Å
482	Y	86.4	Confident	86.3	Confident	39 Å²	39	58.1 Å²	58.1	15%	0.153	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-51	176.4	-178.4	-95.6	0	0	0	110.9	T469 D471 F477 C478 V479 T484 L485 F486	T469-Y482 HydrophobicContact CG2-CD1 4.16Å; T469-Y482 HydrophobicContact CG2-CG 4.3Å; T469-Y482 WeakPolarHBondContact OG1-CB 3.3Å; T469-Y482 WeakPolarHBondContact OG1-CD2 3.39Å; D471-Y482 HydrophobicContact CB-CE2 4.48Å; F477-Y482 HydrophobicContact CB-CD2 4.45Å; F477-Y482 HydrophobicContact CD2-CD2 4.4Å; C478-Y482 PolarHBondContact O-N 3.38Å; V479-Y482 PolarHBondContact O-N 3.26Å; Y482-T484 PolarHBondContact O-N 2.87Å; Y482-L485 PolarHBondContact O-N 2.99Å; Y482-L485 VanDerWaalsContact O-N 3.07Å; Y482-F486 AromaticContact CD2-CD2 3.36Å; Y482-F486 HydrophobicContact CD2-CD2 3.36Å; Y482-F486 AromaticContact CD2-CE2 3.79Å; Y482-F486 HydrophobicContact CD2-CE2 3.79Å; Y482-F486 HydrophobicContact CD2-CG 4.25Å; Y482-F486 HydrophobicContact CE1-CB 4.48Å; Y482-F486 HydrophobicContact CE2-CB 4.33Å; Y482-F486 AromaticContact CE2-CD2 3.6Å; Y482-F486 HydrophobicContact CE2-CD2 3.6Å; Y482-F486 HydrophobicContact CE2-CE2 4.1Å; Y482-F486 HydrophobicContact CE2-CG 4.08Å; Y482-F486 AromaticContact CG-CD2 3.95Å; Y482-F486 HydrophobicContact CG-CD2 3.95Å; Y482-F486 WeakPolarHBondContact O-CD2 3.31Å; Y482-F486 PolarHBondContact O-N 2.82Å
483	H	83.1	Confident	86.8	Confident	17 Å²	17	53.3 Å²	53.3	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-29.9	178	-69.4	-126.2	0	0	0	111.3	V479 A487 P499	V479-H483 PolarHBondContact O-CD2 2.67Å; V479-H483 PolarHBondContact O-N 3.2Å; H483-A487 WeakPolarHBondContact O-CB 3.42Å; H483-A487 PolarHBondContact O-N 3.25Å; H483-P499 VanDerWaalsContact ND1-CD 3.28Å; H483-P499 WeakPolarHBondContact ND1-CD 3.28Å; H483-P499 WeakPolarHBondContact ND1-CG 3.2Å
484	T	81.2	Confident	87.1	Confident	63 Å²	63	56.5 Å²	56.5	39%	0.387	29%	0.285	S	S	.	.	H	α-helix	trans	-74.1	-29	174.8	-53	0	0	0	0	113.2	Q480 D481 Y482	Q480-T484 WeakPolarHBondContact O-CB 3.47Å; Q480-T484 PolarHBondContact O-N 3.12Å; Q480-T484 VanDerWaalsContact O-N 3.1Å; Q480-T484 PolarHBondContact O-OG1 3.15Å; D481-T484 PolarHBondContact O-N 3.49Å; Y482-T484 PolarHBondContact O-N 2.87Å
485	L	82.7	Confident	87.4	Confident	87 Å²	87	57.6 Å²	57.6	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-95.3	-31.6	-175.7	-73.3	176.6	0	0	0	114.2	K458 F477 D481 Y482	K458-L485 HydrophobicContact CB-CD1 4.33Å; K458-L485 HydrophobicContact CD-CD1 3.93Å; K458-L485 HydrophobicContact CD-CG 4.24Å; K458-L485 HydrophobicContact CG-CD1 4.28Å; F477-L485 HydrophobicContact CD1-CD1 3.94Å; F477-L485 HydrophobicContact CE1-CD1 3.57Å; F477-L485 HydrophobicContact CZ-CD1 4.3Å; D481-L485 WeakPolarHBondContact O-CB 3.36Å; D481-L485 VanDerWaalsContact O-CG 3.3Å; D481-L485 WeakPolarHBondContact O-CG 3.36Å; D481-L485 PolarHBondContact O-N 2.88Å; Y482-L485 PolarHBondContact O-N 2.99Å; Y482-L485 VanDerWaalsContact O-N 3.07Å
486	F	82.7	Confident	87.4	Confident	74 Å²	74	55.3 Å²	55.3	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-121.3	-4.7	-169.3	-58.7	-78.7	0	0	0	114	D471 F477 Y482	D471-F486 HydrophobicContact CB-CE2 4.35Å; D471-F486 HydrophobicContact CB-CZ 4.07Å; F477-F486 AromaticContact CD2-CE2 3.91Å; F477-F486 HydrophobicContact CD2-CE2 3.91Å; F477-F486 AromaticContact CE2-CE2 3.68Å; F477-F486 HydrophobicContact CE2-CE2 3.68Å; F477-F486 AromaticContact CE2-CZ 3.88Å; F477-F486 HydrophobicContact CE2-CZ 3.88Å; F477-F486 HydrophobicContact CG-CE2 4.44Å; F477-F486 HydrophobicContact CZ-CE2 4.02Å; F477-F486 HydrophobicContact CZ-CZ 4.13Å; Y482-F486 AromaticContact CD2-CD2 3.36Å; Y482-F486 HydrophobicContact CD2-CD2 3.36Å; Y482-F486 AromaticContact CD2-CE2 3.79Å; Y482-F486 HydrophobicContact CD2-CE2 3.79Å; Y482-F486 HydrophobicContact CD2-CG 4.25Å; Y482-F486 HydrophobicContact CE1-CB 4.48Å; Y482-F486 HydrophobicContact CE2-CB 4.33Å; Y482-F486 AromaticContact CE2-CD2 3.6Å; Y482-F486 HydrophobicContact CE2-CD2 3.6Å; Y482-F486 HydrophobicContact CE2-CE2 4.1Å; Y482-F486 HydrophobicContact CE2-CG 4.08Å; Y482-F486 AromaticContact CG-CD2 3.95Å; Y482-F486 HydrophobicContact CG-CD2 3.95Å; Y482-F486 WeakPolarHBondContact O-CD2 3.31Å; Y482-F486 PolarHBondContact O-N 2.82Å
487	A	83.5	Confident	87.3	Confident	14 Å²	14	54.9 Å²	54.9	12%	0.116	29%	0.287	C	S	.	.	S	Bend	trans	-64.8	137.5	173.5	0	0	0	0	0	110.8	H483 P496 I497	H483-A487 WeakPolarHBondContact O-CB 3.42Å; H483-A487 PolarHBondContact O-N 3.25Å; A487-P496 HydrophobicContact CB-CB 4.18Å; A487-I497 WeakPolarHBondContact CB-O 3.49Å
488	P	87.1	Confident	87.1	Confident	28 Å²	28	57.5 Å²	57.5	18%	0.182	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-63.4	142.1	177.5	26.1	-33.4	0	0	0	111	I497 D515	P488-I497 HydrophobicContact CG-CD1 4.46Å; P488-I497 WeakPolarHBondContact O-CG1 3.39Å; P488-I497 PolarHBondContact O-N 3.35Å; P488-D515 HydrophobicContact CB-CB 4Å; P488-D515 WeakPolarHBondContact CB-OD2 3.31Å; P488-D515 HydrophobicContact CG-CB 4.22Å
489	N	90.5	Very high	86.5	Confident	102 Å²	102	58 Å²	58	55%	0.545	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-78.2	131	176.5	-64.3	65.2	0	0	0	110.3	A491 R494 A495	N489-A491 PolarHBondContact O-N 3.49Å; N489-R494 PolarHBondContact ND2-O 2.83Å; N489-A495 WeakPolarHBondContact CA-O 3.34Å
490	C	93	Very high	86.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.7	123.8	171.4	171.9	0	0	0	0	110.5	K492 C493 R494 A495 I497 D515 H517 C520	C490-K492 PolarHBondContact O-N 2.86Å; C490-K492 VanDerWaalsContact O-N 3.14Å; C490-C493 PolarHBondContact O-N 3.04Å; C490-C493 VanDerWaalsContact SG-SG 3.69Å; C490-R494 WeakPolarHBondContact O-CA 3.47Å; C490-R494 PolarHBondContact O-N 2.62Å; C490-A495 PolarHBondContact N-O 3.48Å; C490-I497 HydrophobicContact CB-CD1 4.12Å; C490-I497 HydrophobicContact CB-CG1 3.94Å; C490-D515 WeakPolarHBondContact CA-O 3.34Å; C490-H517 VanDerWaalsContact CB-ND1 3.29Å; C490-H517 WeakPolarHBondContact CB-ND1 2.96Å; C490-C520 WeakPolarHBondContact SG-CB 3.46Å
491	A	90.5	Very high	85.3	Confident	41 Å²	41	61.7 Å²	61.7	34%	0.339	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.4	-176.7	0	0	0	0	0	113.9	N489 R514 D515 Y516	N489-A491 PolarHBondContact O-N 3.49Å; A491-R514 HydrophobicContact CB-CB 4Å; A491-R514 HydrophobicContact CB-CG 4.31Å; A491-D515 PolarHBondContact N-O 3.07Å; A491-Y516 HydrophobicContact CB-CD1 4.42Å; A491-Y516 HydrophobicContact CB-CE1 3.82Å; A491-Y516 HydrophobicContact CB-CE2 4.49Å
492	K	89.7	Confident	84.6	Confident	115 Å²	115	65 Å²	65	50%	0.5	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-53.6	178.6	-173.4	178.6	178.8	-175.8	0	113.4	C490 Y516 C520	C490-K492 PolarHBondContact O-N 2.86Å; C490-K492 VanDerWaalsContact O-N 3.14Å; K492-Y516 HydrophobicContact CB-CD1 4.22Å; K492-Y516 HydrophobicContact CB-CE1 4.35Å; K492-C520 HydrophobicContact CB-CB 4.08Å; K492-C520 HydrophobicContact CD-CB 4.06Å; K492-C520 WeakPolarHBondContact CD-O 3.2Å
493	C	92.2	Very high	83.8	Confident	65 Å²	65	65.3 Å²	65.3	44%	0.439	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-4.9	-174.4	67.9	0	0	0	0	114.4	C490 A495 H517	C490-C493 PolarHBondContact O-N 3.04Å; C490-C493 VanDerWaalsContact SG-SG 3.69Å; C493-A495 PolarHBondContact O-N 2.78Å; C493-H517 PolarHBondContact SG-CE1 3.05Å; C493-H517 PolarHBondContact SG-ND1 2.93Å
494	R	90.3	Very high	83	Confident	205 Å²	205	72.1 Å²	72.1	77%	0.774	42%	0.422	S	S	*	.			trans	60.5	-0.1	-178.4	-56	-179.9	-177.8	158.5	0.8	116.1	N489 C490	N489-R494 PolarHBondContact ND2-O 2.83Å; C490-R494 WeakPolarHBondContact O-CA 3.47Å; C490-R494 PolarHBondContact O-N 2.62Å
495	A	89.5	Confident	82.5	Confident	42 Å²	42	72.3 Å²	72.3	35%	0.347	42%	0.418	S	S	.	.			trans	-76.1	148.2	173.1	0	0	0	0	0	111.8	N489 C490 C493	N489-A495 WeakPolarHBondContact CA-O 3.34Å; C490-A495 PolarHBondContact N-O 3.48Å; C493-A495 PolarHBondContact O-N 2.78Å
496	P	87.8	Confident	82.2	Confident	45 Å²	45	68.7 Å²	68.7	29%	0.292	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-65.8	138.6	175.3	28	-34.7	0	0	0	111.5	A487 T498	A487-P496 HydrophobicContact CB-CB 4.18Å; P496-T498 VanDerWaalsContact C-N 3.33Å; P496-T498 PolarHBondContact O-N 3.49Å
497	I	86.9	Confident	82.3	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.026	40%	0.404	C	S	.	.			trans	-81.5	79.9	-179.5	-57.6	163.9	0	0	0	109.7	A487 P488 C490 R508 D515	A487-I497 WeakPolarHBondContact CB-O 3.49Å; P488-I497 HydrophobicContact CG-CD1 4.46Å; P488-I497 WeakPolarHBondContact O-CG1 3.39Å; P488-I497 PolarHBondContact O-N 3.35Å; C490-I497 HydrophobicContact CB-CD1 4.12Å; C490-I497 HydrophobicContact CB-CG1 3.94Å; I497-R508 HydrophobicContact CD1-CB 4.15Å; I497-R508 HydrophobicContact CG2-CB 3.94Å; I497-D515 HydrophobicContact CD1-CB 3.65Å
498	T	84.3	Confident	82.5	Confident	64 Å²	64	69.4 Å²	69.4	39%	0.393	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-79.7	151.2	174.7	54.9	0	0	0	0	111.6	P496	P496-T498 VanDerWaalsContact C-N 3.33Å; P496-T498 PolarHBondContact O-N 3.49Å
499	P	78.5	Confident	82.7	Confident	30 Å²	30	68.5 Å²	68.5	20%	0.195	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-69.1	153.9	176.1	30.3	-32	0	0	0	109.8	H483 T506	H483-P499 VanDerWaalsContact ND1-CD 3.28Å; H483-P499 WeakPolarHBondContact ND1-CD 3.28Å; H483-P499 WeakPolarHBondContact ND1-CG 3.2Å; P499-T506 HydrophobicContact CB-CG2 3.73Å; P499-T506 VanDerWaalsContact CD-CG2 3.44Å; P499-T506 HydrophobicContact CG-CG2 3.91Å
500	V	76.4	Confident	82.7	Confident	109 Å²	109	65.5 Å²	65.5	66%	0.661	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-61.1	137.6	172.2	-178.9	0	0	0	0	108.6	G502 A503	V500-G502 PolarHBondContact O-N 3.14Å; V500-A503 HydrophobicContact CB-CB 4.34Å; V500-A503 WeakPolarHBondContact O-CB 3.29Å; V500-A503 PolarHBondContact O-N 2.98Å
501	P	69.5	Low	82.3	Confident	133 Å²	133	65.6 Å²	65.6	86%	0.864	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	115.2	178.1	-27.9	35.8	0	0	0	112.1
502	G	71.3	Confident	82.1	Confident	86 Å²	86	64.8 Å²	64.8	89%	0.887	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.4	-10	-175.5	0	0	0	0	0	115.4	V500	V500-G502 PolarHBondContact O-N 3.14Å
503	A	69.2	Low	81.9	Confident	47 Å²	47	67.9 Å²	67.9	39%	0.388	39%	0.39	S	S	.	.			trans	-87.3	128.7	167.6	0	0	0	0	0	110.4	V500 E505	V500-A503 HydrophobicContact CB-CB 4.34Å; V500-A503 WeakPolarHBondContact O-CB 3.29Å; V500-A503 PolarHBondContact O-N 2.98Å; A503-E505 VanDerWaalsContact C-N 3.25Å; A503-E505 PolarHBondContact O-N 2.95Å
504	E	67.2	Low	81.8	Confident	160 Å²	160	69.4 Å²	69.4	75%	0.748	39%	0.387	S	S	*	.	S	Bend	trans	-75.5	-14.8	173.3	-62.1	-174.9	164.6	0	0	112.8
505	E	70.5	Confident	81.9	Confident	66 Å²	66	61.4 Å²	61.4	31%	0.308	36%	0.359	S	S	.	.	S	Bend	trans	-118.1	136.4	-173.8	179	169.2	-170	0	0	113	R293 A503 V507	R293-E505 WeakPolarHBondContact CB-OE1 3.46Å; R293-E505 VanDerWaalsContact CD-OE1 3.31Å; R293-E505 WeakPolarHBondContact CD-OE1 3.16Å; R293-E505 HydrophobicContact CG-CG 4.09Å; R293-E505 WeakPolarHBondContact CG-OE1 3.4Å; R293-E505 IonicContact CZ-OE2 3.77Å; R293-E505 IonicContact NH1-OE2 3.23Å; R293-E505 PolarHBondContact NH1-OE2 3.29Å; A503-E505 VanDerWaalsContact C-N 3.25Å; A503-E505 PolarHBondContact O-N 2.95Å; E505-V507 HydrophobicContact CG-CG2 4.41Å; E505-V507 PolarHBondContact O-N 2.88Å
506	T	76.1	Confident	82	Confident	11 Å²	11	59.8 Å²	59.8	7%	0.067	35%	0.345	C	S	.	.			trans	-89.1	91.1	173.7	34.4	0	0	0	0	111.7	P499 R508	P499-T506 HydrophobicContact CB-CG2 3.73Å; P499-T506 VanDerWaalsContact CD-CG2 3.44Å; P499-T506 HydrophobicContact CG-CG2 3.91Å; T506-R508 PolarHBondContact O-N 3.43Å
507	V	84.1	Confident	82.3	Confident	67 Å²	67	59.6 Å²	59.6	41%	0.406	34%	0.34	S	S	.	.			trans	-76.3	117.5	173.8	-171.3	0	0	0	0	110.3	L291 E505 I518	L291-V507 HydrophobicContact CD1-CG1 4.41Å; L291-V507 HydrophobicContact CD2-CG1 3.9Å; E505-V507 HydrophobicContact CG-CG2 4.41Å; E505-V507 PolarHBondContact O-N 2.88Å; V507-I518 HydrophobicContact CB-CD1 4.23Å; V507-I518 HydrophobicContact CG1-CD1 3.87Å; V507-I518 HydrophobicContact CG1-CG1 4.49Å
508	R	88.3	Confident	82.4	Confident	36 Å²	36	63.2 Å²	63.2	14%	0.136	36%	0.358	C	S	.	.			trans	-132.2	151.1	177	70.8	-172.2	-170.5	-110.4	15.1	111.8	L291 S292 E294 I497 T506 D515	L291-R508 VanDerWaalsContact CD2-O 3.29Å; L291-R508 WeakPolarHBondContact CD2-O 3.09Å; S292-R508 PolarHBondContact OG-NE 3.05Å; S292-R508 PolarHBondContact OG-NH1 3.06Å; S292-R508 PolarHBondContact OG-NH2 2.73Å; E294-R508 IonicContact OE1-NH1 3.78Å; E294-R508 PolarHBondContact OE1-NH1 3.06Å; I497-R508 HydrophobicContact CD1-CB 4.15Å; I497-R508 HydrophobicContact CG2-CB 3.94Å; T506-R508 PolarHBondContact O-N 3.43Å; R508-D515 WeakPolarHBondContact CD-OD1 3.29Å; R508-D515 IonicContact CZ-OD1 3.71Å; R508-D515 IonicContact NE-OD1 3.23Å; R508-D515 PolarHBondContact NE-OD1 3.23Å
509	V	90.8	Very high	82.7	Confident	10 Å²	10	66.6 Å²	66.6	6%	0.061	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.1	175.9	174.2	0	0	0	0	109.5	V289 Y516 Y521	V289-V509 HydrophobicContact CG1-CG1 4.05Å; V289-V509 HydrophobicContact CG2-CG1 4.25Å; V509-Y516 PolarHBondContact N-O 3.04Å; V509-Y516 PolarHBondContact O-N 2.83Å; V509-Y521 HydrophobicContact CB-CD1 4.34Å; V509-Y521 HydrophobicContact CB-CG 4.17Å; V509-Y521 HydrophobicContact CG1-CD1 3.7Å; V509-Y521 HydrophobicContact CG1-CD2 3.71Å; V509-Y521 HydrophobicContact CG1-CE1 3.81Å; V509-Y521 HydrophobicContact CG1-CE2 3.83Å; V509-Y521 HydrophobicContact CG1-CG 3.65Å; V509-Y521 HydrophobicContact CG2-CD1 4.13Å; V509-Y521 HydrophobicContact CG2-CG 4.33Å
510	V	89.9	Confident	83.4	Confident	38 Å²	38	66 Å²	66	23%	0.23	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.9	168.7	-173.7	0	0	0	0	109.4	T290 R514	T290-V510 PolarHBondContact O-N 3.13Å; V510-R514 WeakPolarHBondContact CA-O 3.47Å
511	A	86.4	Confident	84.3	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.017	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.2	173.6	0	0	0	0	0	109.7	Q513 R514 Y516 Y521 L545	A511-Q513 PolarHBondContact O-N 2.89Å; A511-Q513 VanDerWaalsContact O-N 3.15Å; A511-R514 PolarHBondContact N-O 2.96Å; A511-R514 WeakPolarHBondContact O-CA 3.24Å; A511-R514 PolarHBondContact O-N 2.98Å; A511-Y516 HydrophobicContact CB-CD2 4.42Å; A511-Y516 HydrophobicContact CB-CE2 4.25Å; A511-Y521 HydrophobicContact CB-CD2 4.43Å; A511-Y521 HydrophobicContact CB-CE2 3.71Å; A511-L545 HydrophobicContact CB-CD2 4.37Å
512	M	85.7	Confident	85.4	Confident	24 Å²	24	55.5 Å²	55.5	12%	0.118	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	37.8	-177.4	-54	-173.1	67.6	0	0	114.7	R514 P540 E543	M512-R514 PolarHBondContact O-N 2.83Å; M512-R514 VanDerWaalsContact O-N 3.12Å; M512-P540 HydrophobicContact CE-CB 3.77Å; M512-P540 HydrophobicContact CE-CG 4.47Å; M512-P540 HydrophobicContact CG-CB 4.09Å; M512-P540 HydrophobicContact CG-CG 3.75Å; M512-P540 HydrophobicContact SD-CB 3.59Å; M512-P540 VanDerWaalsContact SD-CB 3.59Å; M512-P540 HydrophobicContact SD-CG 3.85Å; M512-E543 VanDerWaalsContact CE-OE1 3.24Å; M512-E543 WeakPolarHBondContact CE-OE1 3.32Å
513	Q	85.7	Confident	86.5	Confident	180 Å²	180	51.4 Å²	51.4	84%	0.841	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	20.8	-174.8	-65.5	67.2	52.9	0	0	114.2	A511	A511-Q513 PolarHBondContact O-N 2.89Å; A511-Q513 VanDerWaalsContact O-N 3.15Å
514	R	89.7	Confident	87.4	Confident	97 Å²	97	53.2 Å²	53.2	37%	0.366	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.2	177.5	-66.7	171.5	-179.9	-167.8	0.2	110.2	A491 V510 A511 M512 Y516 E543	A491-R514 HydrophobicContact CB-CB 4Å; A491-R514 HydrophobicContact CB-CG 4.31Å; V510-R514 WeakPolarHBondContact CA-O 3.47Å; A511-R514 PolarHBondContact N-O 2.96Å; A511-R514 WeakPolarHBondContact O-CA 3.24Å; A511-R514 PolarHBondContact O-N 2.98Å; M512-R514 PolarHBondContact O-N 2.83Å; M512-R514 VanDerWaalsContact O-N 3.12Å; R514-Y516 HydrophobicContact CB-CD2 4.49Å; R514-Y516 HydrophobicContact CB-CE2 3.66Å; R514-E543 IonicContact CZ-OE2 3.64Å; R514-E543 IonicContact NE-OE2 3.69Å; R514-E543 PolarHBondContact NE-OE2 2.85Å; R514-E543 IonicContact NH1-OE2 2.7Å; R514-E543 IonicContact NH2-OE2 3.09Å; R514-E543 PolarHBondContact NH2-OE2 3.45Å
515	D	91.8	Very high	88.4	Confident	37 Å²	37	46 Å²	46	20%	0.198	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144.5	174.4	-60.2	-84	0	0	0	111.4	P488 C490 A491 I497 R508	P488-D515 HydrophobicContact CB-CB 4Å; P488-D515 WeakPolarHBondContact CB-OD2 3.31Å; P488-D515 HydrophobicContact CG-CB 4.22Å; C490-D515 WeakPolarHBondContact CA-O 3.34Å; A491-D515 PolarHBondContact N-O 3.07Å; I497-D515 HydrophobicContact CD1-CB 3.65Å; R508-D515 WeakPolarHBondContact CD-OD1 3.29Å; R508-D515 IonicContact CZ-OD1 3.71Å; R508-D515 IonicContact NE-OD1 3.23Å; R508-D515 PolarHBondContact NE-OD1 3.23Å
516	Y	92.6	Very high	89.3	Confident	9 Å²	9	46.2 Å²	46.2	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.5	176.6	-61.2	-97.5	0	0	0	110.9	A491 K492 V509 A511 R514 L545	A491-Y516 HydrophobicContact CB-CD1 4.42Å; A491-Y516 HydrophobicContact CB-CE1 3.82Å; A491-Y516 HydrophobicContact CB-CE2 4.49Å; K492-Y516 HydrophobicContact CB-CD1 4.22Å; K492-Y516 HydrophobicContact CB-CE1 4.35Å; V509-Y516 PolarHBondContact N-O 3.04Å; V509-Y516 PolarHBondContact O-N 2.83Å; A511-Y516 HydrophobicContact CB-CD2 4.42Å; A511-Y516 HydrophobicContact CB-CE2 4.25Å; R514-Y516 HydrophobicContact CB-CD2 4.49Å; R514-Y516 HydrophobicContact CB-CE2 3.66Å; Y516-L545 HydrophobicContact CD1-CD1 3.94Å; Y516-L545 HydrophobicContact CE1-CD1 3.52Å; Y516-L545 HydrophobicContact CE1-CG 4.46Å; Y516-L545 HydrophobicContact CE2-CD1 4.21Å; Y516-L545 HydrophobicContact CG-CD1 4.45Å
517	H	92.7	Very high	90	Very high	41 Å²	41	48 Å²	48	19%	0.19	26%	0.259	C	S	.	.			trans	-59.9	151	158.6	-59.8	110.9	0	0	0	109.5	C490 C493 D519 C520 Y521	C490-H517 VanDerWaalsContact CB-ND1 3.29Å; C490-H517 WeakPolarHBondContact CB-ND1 2.96Å; C493-H517 PolarHBondContact SG-CE1 3.05Å; C493-H517 PolarHBondContact SG-ND1 2.93Å; H517-D519 VanDerWaalsContact C-N 3.32Å; H517-D519 PolarHBondContact O-N 3.09Å; H517-C520 HydrophobicContact CB-CB 3.88Å; H517-C520 WeakPolarHBondContact O-CA 3.37Å; H517-C520 WeakPolarHBondContact O-CB 3.44Å; H517-C520 PolarHBondContact O-N 3.38Å; H517-Y521 PolarHBondContact O-N 2.85Å; H517-Y521 VanDerWaalsContact O-N 3.08Å
518	I	90.5	Very high	90.4	Very high	81 Å²	81	47.8 Å²	47.8	42%	0.415	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-52	-53.4	173.4	-56.7	175	0	0	0	109.7	V507 C520 Y521 Q529	V507-I518 HydrophobicContact CB-CD1 4.23Å; V507-I518 HydrophobicContact CG1-CD1 3.87Å; V507-I518 HydrophobicContact CG1-CG1 4.49Å; I518-C520 PolarHBondContact O-N 3.48Å; I518-C520 VanDerWaalsContact O-N 3.15Å; I518-Y521 WeakPolarHBondContact O-CB 3.45Å; I518-Y521 PolarHBondContact O-N 3.17Å; I518-Q529 PolarHBondContact O-NE2 2.99Å; I518-Q529 PolarHBondContact O-OE1 3.36Å
519	D	91	Very high	90.5	Very high	134 Å²	134	49.1 Å²	49.1	72%	0.717	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-66.3	-16.7	179.6	-45	-35.1	0	0	0	114.1	H517	H517-D519 VanDerWaalsContact C-N 3.32Å; H517-D519 PolarHBondContact O-N 3.09Å
520	C	92.9	Very high	90.6	Very high	18 Å²	18	48.7 Å²	48.7	12%	0.122	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-88.4	-19.5	174.9	-74	0	0	0	0	112.7	C490 K492 H517 I518 V522	C490-C520 WeakPolarHBondContact SG-CB 3.46Å; K492-C520 HydrophobicContact CB-CB 4.08Å; K492-C520 HydrophobicContact CD-CB 4.06Å; K492-C520 WeakPolarHBondContact CD-O 3.2Å; H517-C520 HydrophobicContact CB-CB 3.88Å; H517-C520 WeakPolarHBondContact O-CA 3.37Å; H517-C520 WeakPolarHBondContact O-CB 3.44Å; H517-C520 PolarHBondContact O-N 3.38Å; I518-C520 PolarHBondContact O-N 3.48Å; I518-C520 VanDerWaalsContact O-N 3.15Å; C520-V522 PolarHBondContact O-N 3.3Å
521	Y	93.9	Very high	90.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	26%	0.264	C	S	.	.			trans	-82.5	66.2	-177.2	-175.8	-118.2	0	0	0	111.1	V289 V509 A511 H517 I518 Q529 L530 C538 L545	V289-Y521 HydrophobicContact CG2-CE1 3.94Å; V289-Y521 VanDerWaalsContact CG2-OH 3.31Å; V289-Y521 WeakPolarHBondContact CG2-OH 3.45Å; V509-Y521 HydrophobicContact CB-CD1 4.34Å; V509-Y521 HydrophobicContact CB-CG 4.17Å; V509-Y521 HydrophobicContact CG1-CD1 3.7Å; V509-Y521 HydrophobicContact CG1-CD2 3.71Å; V509-Y521 HydrophobicContact CG1-CE1 3.81Å; V509-Y521 HydrophobicContact CG1-CE2 3.83Å; V509-Y521 HydrophobicContact CG1-CG 3.65Å; V509-Y521 HydrophobicContact CG2-CD1 4.13Å; V509-Y521 HydrophobicContact CG2-CG 4.33Å; A511-Y521 HydrophobicContact CB-CD2 4.43Å; A511-Y521 HydrophobicContact CB-CE2 3.71Å; H517-Y521 PolarHBondContact O-N 2.85Å; H517-Y521 VanDerWaalsContact O-N 3.08Å; I518-Y521 WeakPolarHBondContact O-CB 3.45Å; I518-Y521 PolarHBondContact O-N 3.17Å; Y521-Q529 PolarHBondContact O-NE2 3.15Å; Y521-L530 HydrophobicContact CD1-CB 3.68Å; Y521-L530 WeakPolarHBondContact CD1-O 3.14Å; Y521-L530 VanDerWaalsContact CE1-C 3.47Å; Y521-L530 HydrophobicContact CE1-CB 3.41Å; Y521-L530 VanDerWaalsContact CE1-CB 3.41Å; Y521-L530 WeakPolarHBondContact CE1-O 3.2Å; Y521-L530 HydrophobicContact CE2-CB 4.33Å; Y521-L530 HydrophobicContact CE2-CD1 4.37Å; Y521-L530 HydrophobicContact CG-CB 4.26Å; Y521-L530 WeakPolarHBondContact O-CB 3.39Å; Y521-L530 PolarHBondContact O-N 2.86Å; Y521-C538 HydrophobicContact CE2-CB 4.22Å; Y521-C538 WeakPolarHBondContact OH-CB 3.49Å; Y521-C538 PolarHBondContact OH-SG 3.3Å; Y521-L545 HydrophobicContact CD2-CD1 3.78Å; Y521-L545 HydrophobicContact CD2-CD2 4.36Å; Y521-L545 HydrophobicContact CE2-CD1 4.22Å; Y521-L545 HydrophobicContact CE2-CD2 3.96Å
522	V	93.4	Very high	90.6	Very high	19 Å²	19	52.1 Å²	52.1	12%	0.115	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-120.8	155.4	-177.7	-58.1	0	0	0	0	110.6	C520 E524 V528	C520-V522 PolarHBondContact O-N 3.3Å; V522-E524 PolarHBondContact O-N 3.27Å; V522-V528 CarbonylContact C-O 3.55Å; V522-V528 VanDerWaalsContact CA-O 3.3Å; V522-V528 WeakPolarHBondContact CA-O 3.34Å
523	C	93.2	Very high	90.6	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	30%	0.298	C	S	.	.			trans	-63.7	129	172.3	-179.7	0	0	0	0	111	G525 G527 V528 L530 L545 C547	C523-G525 PolarHBondContact SG-N 3.31Å; C523-G525 VanDerWaalsContact SG-N 3.44Å; C523-G527 WeakPolarHBondContact O-CA 3.39Å; C523-G527 PolarHBondContact O-N 3.02Å; C523-V528 HydrophobicContact CB-CG1 3.81Å; C523-V528 PolarHBondContact N-O 2.75Å; C523-L530 HydrophobicContact CB-CD2 4.27Å; C523-L545 CarbonylContact C-O 3.59Å; C523-L545 WeakPolarHBondContact CA-O 3.29Å; C523-C547 HydrophobicContact CB-CB 4.1Å; C523-C547 PolarHBondContact SG-N 2.82Å; C523-C547 VanDerWaalsContact SG-SG 3.69Å
524	E	89.7	Confident	90.4	Very high	85 Å²	85	53.2 Å²	53.2	40%	0.397	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-31.4	177.3	-69	175.5	-128	0	0	112.7	V522 H544 L545 L546 W554	V522-E524 PolarHBondContact O-N 3.27Å; E524-H544 WeakPolarHBondContact OE1-CA 3.33Å; E524-H544 IonicContact OE1-ND1 2.72Å; E524-H544 IonicContact OE2-CE1 3.25Å; E524-H544 IonicContact OE2-CG 3.99Å; E524-H544 IonicContact OE2-ND1 2.77Å; E524-H544 PolarHBondContact OE2-ND1 3.34Å; E524-L545 PolarHBondContact N-O 3.29Å; E524-L545 PolarHBondContact OE1-N 3.23Å; E524-L546 HydrophobicContact CB-CD2 4.26Å; E524-W554 HydrophobicContact CB-CH2 4.37Å
525	G	87	Confident	90	Very high	7 Å²	7	51.3 Å²	51.3	7%	0.072	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-22.4	-179.3	0	0	0	0	0	115.9	C523	C523-G525 PolarHBondContact SG-N 3.31Å; C523-G525 VanDerWaalsContact SG-N 3.44Å
526	C	90.8	Very high	89.7	Confident	72 Å²	72	54 Å²	54	49%	0.486	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	2	-178.4	70.6	0	0	0	0	115.9	V528 C547 C550	C526-V528 PolarHBondContact O-N 3.08Å; C526-V528 VanDerWaalsContact O-N 3.13Å; C526-V528 VanDerWaalsContact SG-CG1 3.57Å; C526-C547 VanDerWaalsContact SG-SG 3.64Å; C526-C550 VanDerWaalsContact SG-SG 3.65Å
527	G	90.1	Very high	89.4	Confident	49 Å²	49	57.1 Å²	57.1	51%	0.505	33%	0.329	S	S	.	.			trans	71.8	-1.9	177.9	0	0	0	0	0	116.2	C523 Q529	C523-G527 WeakPolarHBondContact O-CA 3.39Å; C523-G527 PolarHBondContact O-N 3.02Å; G527-Q529 PolarHBondContact O-N 2.96Å
528	V	91.6	Very high	89.3	Confident	61 Å²	61	55.3 Å²	55.3	37%	0.37	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-64.7	136.6	-177.9	76.2	0	0	0	0	111.8	V522 C523 C526 L530 C547	V522-V528 CarbonylContact C-O 3.55Å; V522-V528 VanDerWaalsContact CA-O 3.3Å; V522-V528 WeakPolarHBondContact CA-O 3.34Å; C523-V528 HydrophobicContact CB-CG1 3.81Å; C523-V528 PolarHBondContact N-O 2.75Å; C526-V528 PolarHBondContact O-N 3.08Å; C526-V528 VanDerWaalsContact O-N 3.13Å; C526-V528 VanDerWaalsContact SG-CG1 3.57Å; V528-L530 HydrophobicContact CG1-CD2 4.38Å; V528-L530 PolarHBondContact O-N 3.38Å; V528-C547 HydrophobicContact CG1-CB 3.98Å
529	Q	92	Very high	89.2	Confident	64 Å²	64	52.4 Å²	52.4	30%	0.299	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-60.9	121.6	172.5	-176.2	62.6	49.7	0	0	110.6	I518 Y521 G527 T531	I518-Q529 PolarHBondContact O-NE2 2.99Å; I518-Q529 PolarHBondContact O-OE1 3.36Å; Y521-Q529 PolarHBondContact O-NE2 3.15Å; G527-Q529 PolarHBondContact O-N 2.96Å; Q529-T531 HydrophobicContact CG-CG2 4.45Å
530	L	92	Very high	89.1	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-85.8	145.8	176.7	-58.8	169.5	0	0	0	109.3	Y521 C523 V528 K536 C538 L545 C547	Y521-L530 HydrophobicContact CD1-CB 3.68Å; Y521-L530 WeakPolarHBondContact CD1-O 3.14Å; Y521-L530 VanDerWaalsContact CE1-C 3.47Å; Y521-L530 HydrophobicContact CE1-CB 3.41Å; Y521-L530 VanDerWaalsContact CE1-CB 3.41Å; Y521-L530 WeakPolarHBondContact CE1-O 3.2Å; Y521-L530 HydrophobicContact CE2-CB 4.33Å; Y521-L530 HydrophobicContact CE2-CD1 4.37Å; Y521-L530 HydrophobicContact CG-CB 4.26Å; Y521-L530 WeakPolarHBondContact O-CB 3.39Å; Y521-L530 PolarHBondContact O-N 2.86Å; C523-L530 HydrophobicContact CB-CD2 4.27Å; V528-L530 HydrophobicContact CG1-CD2 4.38Å; V528-L530 PolarHBondContact O-N 3.38Å; L530-K536 CarbonylContact C-O 3.39Å; L530-K536 WeakPolarHBondContact CA-O 3.46Å; L530-K536 WeakPolarHBondContact CB-O 3.37Å; L530-K536 VanDerWaalsContact CD2-O 3.29Å; L530-K536 WeakPolarHBondContact CD2-O 3.42Å; L530-C538 HydrophobicContact CD1-CB 3.94Å; L530-L545 HydrophobicContact CD1-CB 4.13Å; L530-C547 HydrophobicContact CD2-CB 3.89Å
531	T	89.6	Confident	88.8	Confident	41 Å²	41	48.6 Å²	48.6	25%	0.252	29%	0.285	S	S	.	.			trans	-148.4	176.3	178.6	68.2	0	0	0	0	109.5	Q529 E533 K536 R537	Q529-T531 HydrophobicContact CG-CG2 4.45Å; T531-E533 PolarHBondContact O-N 2.84Å; T531-E533 WeakPolarHBondContact OG1-CB 3.3Å; T531-E533 WeakPolarHBondContact OG1-CG 3.37Å; T531-E533 PolarHBondContact OG1-N 2.95Å; T531-E533 PolarHBondContact OG1-OE2 2.88Å; T531-K536 HydrophobicContact CG2-CD 4.44Å; T531-K536 PolarHBondContact N-O 3.39Å; T531-K536 CarbonylContact O-C 3.54Å; T531-K536 WeakPolarHBondContact OG1-CB 3.38Å; T531-R537 VanDerWaalsContact O-CA 3.3Å; T531-R537 WeakPolarHBondContact O-CA 3.29Å; T531-R537 PolarHBondContact O-N 2.99Å
532	D	86.2	Confident	88.4	Confident	70 Å²	70	56.5 Å²	56.5	37%	0.374	32%	0.322	S	S	.	.	S	Bend	trans	-79.1	-0.9	171.9	-165.8	33.3	0	0	0	113.4	V289 R537	V289-D532 HydrophobicContact CB-CB 4.35Å; D532-R537 VanDerWaalsContact O-CZ 3.31Å; D532-R537 PolarHBondContact O-NE 2.87Å; D532-R537 PolarHBondContact O-NH2 2.76Å; D532-R537 IonicContact OD1-CZ 3.13Å; D532-R537 VanDerWaalsContact OD1-CZ 3.23Å; D532-R537 IonicContact OD1-NE 3.89Å; D532-R537 PolarHBondContact OD1-NE 3.43Å; D532-R537 IonicContact OD1-NH2 2.76Å; D532-R537 PolarHBondContact OD1-NH2 3Å; D532-R537 VanDerWaalsContact OD1-NH2 3.09Å; D532-R537 IonicContact OD2-NH2 3.75Å
533	E	87.1	Confident	87.9	Confident	101 Å²	101	60.3 Å²	60.3	47%	0.472	34%	0.338	S	S	.	.	S	Bend	trans	-63.8	141.9	179.8	-64.3	178.9	132.5	0	0	111.8	T531 G535 K536 R537	T531-E533 PolarHBondContact O-N 2.84Å; T531-E533 WeakPolarHBondContact OG1-CB 3.3Å; T531-E533 WeakPolarHBondContact OG1-CG 3.37Å; T531-E533 PolarHBondContact OG1-N 2.95Å; T531-E533 PolarHBondContact OG1-OE2 2.88Å; E533-G535 PolarHBondContact O-N 3.38Å; E533-K536 PolarHBondContact O-N 3.11Å; E533-K536 WeakPolarHBondContact OE2-CD 3.39Å; E533-K536 WeakPolarHBondContact OE2-CE 3.34Å; E533-K536 IonicContact OE2-NZ 3.76Å; E533-K536 PolarHBondContact OE2-NZ 3.5Å; E533-R537 WeakPolarHBondContact O-CG 3.37Å; E533-R537 PolarHBondContact O-N 3.06Å
534	P	80.4	Confident	87.6	Confident	127 Å²	127	63.6 Å²	63.6	83%	0.825	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	101.4	177.3	26.8	-34.4	0	0	0	110.9
535	G	81.5	Confident	87.7	Confident	57 Å²	57	59.7 Å²	59.7	59%	0.588	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.7	-35.5	-178	0	0	0	0	0	113.5	E533	E533-G535 PolarHBondContact O-N 3.38Å
536	K	85.2	Confident	87.9	Confident	92 Å²	92	59.4 Å²	59.4	40%	0.4	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	7.8	179.7	-62.4	-178.6	-163	152.1	0	113.9	L530 T531 E533	L530-K536 CarbonylContact C-O 3.39Å; L530-K536 WeakPolarHBondContact CA-O 3.46Å; L530-K536 WeakPolarHBondContact CB-O 3.37Å; L530-K536 VanDerWaalsContact CD2-O 3.29Å; L530-K536 WeakPolarHBondContact CD2-O 3.42Å; T531-K536 HydrophobicContact CG2-CD 4.44Å; T531-K536 PolarHBondContact N-O 3.39Å; T531-K536 CarbonylContact O-C 3.54Å; T531-K536 WeakPolarHBondContact OG1-CB 3.38Å; E533-K536 PolarHBondContact O-N 3.11Å; E533-K536 WeakPolarHBondContact OE2-CD 3.39Å; E533-K536 WeakPolarHBondContact OE2-CE 3.34Å; E533-K536 IonicContact OE2-NZ 3.76Å; E533-K536 PolarHBondContact OE2-NZ 3.5Å
537	R	87.6	Confident	87.9	Confident	76 Å²	76	56.3 Å²	56.3	29%	0.287	31%	0.311	S	S	.	.			trans	-61.5	146.4	175.7	-62.2	-171	175.6	-166.2	-11.9	111.9	T531 D532 E533 Y539	T531-R537 VanDerWaalsContact O-CA 3.3Å; T531-R537 WeakPolarHBondContact O-CA 3.29Å; T531-R537 PolarHBondContact O-N 2.99Å; D532-R537 VanDerWaalsContact O-CZ 3.31Å; D532-R537 PolarHBondContact O-NE 2.87Å; D532-R537 PolarHBondContact O-NH2 2.76Å; D532-R537 IonicContact OD1-CZ 3.13Å; D532-R537 VanDerWaalsContact OD1-CZ 3.23Å; D532-R537 IonicContact OD1-NE 3.89Å; D532-R537 PolarHBondContact OD1-NE 3.43Å; D532-R537 IonicContact OD1-NH2 2.76Å; D532-R537 PolarHBondContact OD1-NH2 3Å; D532-R537 VanDerWaalsContact OD1-NH2 3.09Å; D532-R537 IonicContact OD2-NH2 3.75Å; E533-R537 WeakPolarHBondContact O-CG 3.37Å; E533-R537 PolarHBondContact O-N 3.06Å; R537-Y539 HydrophobicContact CB-CE2 4.36Å; R537-Y539 WeakPolarHBondContact O-CD2 3.32Å
538	C	88.9	Confident	87.9	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.02	32%	0.315	C	S	.	.			trans	-70.6	147.7	169.4	65	0	0	0	0	111.4	T287 Y521 L530 L545 L546	T287-C538 PolarHBondContact OG1-SG 3.06Å; Y521-C538 HydrophobicContact CE2-CB 4.22Å; Y521-C538 WeakPolarHBondContact OH-CB 3.49Å; Y521-C538 PolarHBondContact OH-SG 3.3Å; L530-C538 HydrophobicContact CD1-CB 3.94Å; C538-L545 HydrophobicContact CB-CD2 4.23Å; C538-L546 CarbonylContact C-O 3.58Å; C538-L546 WeakPolarHBondContact CA-O 3.22Å
539	Y	90.2	Very high	87.8	Confident	20 Å²	20	62 Å²	62	8%	0.078	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	97.8	171.8	-73.6	-104.6	0	0	0	105.9	P284 R537 L546 R548 N551	P284-Y539 HydrophobicContact CB-CD1 3.86Å; P284-Y539 HydrophobicContact CB-CE1 4.37Å; P284-Y539 HydrophobicContact CG-CD1 3.97Å; P284-Y539 HydrophobicContact CG-CE1 4Å; R537-Y539 HydrophobicContact CB-CE2 4.36Å; R537-Y539 WeakPolarHBondContact O-CD2 3.32Å; Y539-L546 PolarHBondContact N-O 3.24Å; Y539-R548 HydrophobicContact CD2-CB 4Å; Y539-R548 HydrophobicContact CE1-CG 4.42Å; Y539-R548 HydrophobicContact CE2-CB 3.6Å; Y539-R548 HydrophobicContact CE2-CG 4.07Å; Y539-R548 PolarHBondContact OH-NH1 2.7Å; Y539-R548 VanDerWaalsContact OH-NH1 3.11Å; Y539-N551 HydrophobicContact CG-CB 4.42Å; Y539-N551 PolarHBondContact O-OD1 3.28Å
540	P	87.6	Confident	87.7	Confident	32 Å²	32	59.4 Å²	59.4	21%	0.208	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	134.5	177.7	-31.9	40.4	0	0	0	114.2	T287 M512	T287-P540 HydrophobicContact CG2-CG 4.2Å; M512-P540 HydrophobicContact CE-CB 3.77Å; M512-P540 HydrophobicContact CE-CG 4.47Å; M512-P540 HydrophobicContact CG-CB 4.09Å; M512-P540 HydrophobicContact CG-CG 3.75Å; M512-P540 HydrophobicContact SD-CB 3.59Å; M512-P540 VanDerWaalsContact SD-CB 3.59Å; M512-P540 HydrophobicContact SD-CG 3.85Å
541	L	87.8	Confident	87.6	Confident	40 Å²	40	60.3 Å²	60.3	21%	0.209	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	117.7	168.5	-178.1	66.6	0	0	0	108.9	E543 H544 L546 W554	L541-E543 VanDerWaalsContact C-N 3.32Å; L541-E543 PolarHBondContact O-N 2.96Å; L541-H544 PolarHBondContact N-O 3.37Å; L541-H544 VanDerWaalsContact O-CB 3.29Å; L541-H544 WeakPolarHBondContact O-CB 3.3Å; L541-H544 PolarHBondContact O-N 2.86Å; L541-L546 HydrophobicContact CB-CD1 3.86Å; L541-L546 HydrophobicContact CD2-CD1 3.97Å; L541-W554 HydrophobicContact CD2-CB 3.67Å
542	E	83.6	Confident	87.6	Confident	168 Å²	168	64.7 Å²	64.7	79%	0.785	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	47.6	175.5	-59.3	-173.4	-177.5	0	0	114.8	H544	E542-H544 VanDerWaalsContact C-N 3.29Å; E542-H544 PolarHBondContact O-CD2 2.65Å; E542-H544 PolarHBondContact O-N 2.76Å
543	E	83.5	Confident	87.7	Confident	98 Å²	98	62.8 Å²	62.8	46%	0.458	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	3.6	-175.8	-51.6	-65.4	102.2	0	0	116.9	M512 R514 L541	M512-E543 VanDerWaalsContact CE-OE1 3.24Å; M512-E543 WeakPolarHBondContact CE-OE1 3.32Å; R514-E543 IonicContact CZ-OE2 3.64Å; R514-E543 IonicContact NE-OE2 3.69Å; R514-E543 PolarHBondContact NE-OE2 2.85Å; R514-E543 IonicContact NH1-OE2 2.7Å; R514-E543 IonicContact NH2-OE2 3.09Å; R514-E543 PolarHBondContact NH2-OE2 3.45Å; L541-E543 VanDerWaalsContact C-N 3.32Å; L541-E543 PolarHBondContact O-N 2.96Å
544	H	88.2	Confident	87.6	Confident	71 Å²	71	58.3 Å²	58.3	33%	0.329	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.6	174.9	-63.3	-81.5	0	0	0	113.5	E524 L541 E542 L546 W554	E524-H544 WeakPolarHBondContact OE1-CA 3.33Å; E524-H544 IonicContact OE1-ND1 2.72Å; E524-H544 IonicContact OE2-CE1 3.25Å; E524-H544 IonicContact OE2-CG 3.99Å; E524-H544 IonicContact OE2-ND1 2.77Å; E524-H544 PolarHBondContact OE2-ND1 3.34Å; L541-H544 PolarHBondContact N-O 3.37Å; L541-H544 VanDerWaalsContact O-CB 3.29Å; L541-H544 WeakPolarHBondContact O-CB 3.3Å; L541-H544 PolarHBondContact O-N 2.86Å; E542-H544 VanDerWaalsContact C-N 3.29Å; E542-H544 PolarHBondContact O-CD2 2.65Å; E542-H544 PolarHBondContact O-N 2.76Å; H544-L546 HydrophobicContact CB-CG 4.35Å; H544-W554 HydrophobicContact CB-CZ3 4.04Å; H544-W554 AromaticContact CG-CZ3 3.74Å; H544-W554 AromaticContact ND1-CZ3 3.95Å
545	L	90.3	Very high	87.9	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	105.6	173.2	-73.1	177.5	0	0	0	110.7	A511 Y516 Y521 C523 E524 L530 C538	A511-L545 HydrophobicContact CB-CD2 4.37Å; Y516-L545 HydrophobicContact CD1-CD1 3.94Å; Y516-L545 HydrophobicContact CE1-CD1 3.52Å; Y516-L545 HydrophobicContact CE1-CG 4.46Å; Y516-L545 HydrophobicContact CE2-CD1 4.21Å; Y516-L545 HydrophobicContact CG-CD1 4.45Å; Y521-L545 HydrophobicContact CD2-CD1 3.78Å; Y521-L545 HydrophobicContact CD2-CD2 4.36Å; Y521-L545 HydrophobicContact CE2-CD1 4.22Å; Y521-L545 HydrophobicContact CE2-CD2 3.96Å; C523-L545 CarbonylContact C-O 3.59Å; C523-L545 WeakPolarHBondContact CA-O 3.29Å; E524-L545 PolarHBondContact N-O 3.29Å; E524-L545 PolarHBondContact OE1-N 3.23Å; L530-L545 HydrophobicContact CD1-CB 4.13Å; C538-L545 HydrophobicContact CB-CD2 4.23Å
546	L	90.9	Very high	88.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.6	178.9	-55.4	175.3	0	0	0	111.9	E524 C538 Y539 L541 H544 C550 N551 W554	E524-L546 HydrophobicContact CB-CD2 4.26Å; C538-L546 CarbonylContact C-O 3.58Å; C538-L546 WeakPolarHBondContact CA-O 3.22Å; Y539-L546 PolarHBondContact N-O 3.24Å; L541-L546 HydrophobicContact CB-CD1 3.86Å; L541-L546 HydrophobicContact CD2-CD1 3.97Å; H544-L546 HydrophobicContact CB-CG 4.35Å; L546-C550 HydrophobicContact CB-CB 4.23Å; L546-C550 HydrophobicContact CD2-CB 4.21Å; L546-N551 HydrophobicContact CB-CB 3.99Å; L546-N551 HydrophobicContact CD1-CB 4.31Å; L546-W554 HydrophobicContact CD1-CB 3.85Å; L546-W554 HydrophobicContact CD1-CD2 3.72Å; L546-W554 HydrophobicContact CD1-CE3 3.64Å; L546-W554 HydrophobicContact CD1-CG 3.83Å; L546-W554 HydrophobicContact CD1-CZ3 4.44Å; L546-W554 HydrophobicContact CD2-CD2 3.83Å; L546-W554 HydrophobicContact CD2-CE3 3.89Å; L546-W554 HydrophobicContact CD2-CG 4.46Å; L546-W554 HydrophobicContact CD2-CH2 4.1Å; L546-W554 HydrophobicContact CD2-CZ2 4.05Å; L546-W554 HydrophobicContact CD2-CZ3 4.03Å; L546-W554 HydrophobicContact CG-CD2 4.45Å; L546-W554 HydrophobicContact CG-CE3 4.33Å
547	C	92.1	Very high	87.9	Confident	8 Å²	8	57.2 Å²	57.2	5%	0.054	29%	0.285	C	S	.	.			trans	-81.6	172.5	164.9	72.8	0	0	0	0	110.4	C523 C526 V528 L530 S549 C550 N551	C523-C547 HydrophobicContact CB-CB 4.1Å; C523-C547 PolarHBondContact SG-N 2.82Å; C523-C547 VanDerWaalsContact SG-SG 3.69Å; C526-C547 VanDerWaalsContact SG-SG 3.64Å; V528-C547 HydrophobicContact CG1-CB 3.98Å; L530-C547 HydrophobicContact CD2-CB 3.89Å; C547-S549 VanDerWaalsContact C-N 3.32Å; C547-S549 PolarHBondContact O-N 3.5Å; C547-S549 PolarHBondContact SG-OG 3.44Å; C547-C550 PolarHBondContact O-N 3.4Å; C547-N551 VanDerWaalsContact O-CB 3.32Å; C547-N551 WeakPolarHBondContact O-CB 3.36Å; C547-N551 PolarHBondContact O-N 3.07Å
548	R	90.1	Very high	87.3	Confident	153 Å²	153	57 Å²	57	58%	0.577	31%	0.306	S	S	*	.	H	α-helix	trans	-54.1	-42.5	-176.3	-173	176.8	173	81.1	2.6	114	Y539 F552	Y539-R548 HydrophobicContact CD2-CB 4Å; Y539-R548 HydrophobicContact CE1-CG 4.42Å; Y539-R548 HydrophobicContact CE2-CB 3.6Å; Y539-R548 HydrophobicContact CE2-CG 4.07Å; Y539-R548 PolarHBondContact OH-NH1 2.7Å; Y539-R548 VanDerWaalsContact OH-NH1 3.11Å; R548-F552 PolarHBondContact O-N 2.97Å
549	S	89.3	Confident	86.2	Confident	75 Å²	75	58.2 Å²	58.2	52%	0.524	32%	0.319	S	S	.	.	H	α-helix	trans	-74.2	-48.8	-179.7	47.3	0	0	0	0	111.8	C547 N551 F552 C553	C547-S549 VanDerWaalsContact C-N 3.32Å; C547-S549 PolarHBondContact O-N 3.5Å; C547-S549 PolarHBondContact SG-OG 3.44Å; S549-N551 VanDerWaalsContact C-N 3.31Å; S549-N551 PolarHBondContact O-N 3.26Å; S549-F552 WeakPolarHBondContact O-CB 3.47Å; S549-F552 PolarHBondContact O-N 3.41Å; S549-F552 VanDerWaalsContact O-N 3.09Å; S549-C553 PolarHBondContact O-N 2.82Å; S549-C553 PolarHBondContact O-SG 3.04Å; S549-C553 VanDerWaalsContact O-SG 3.41Å
550	C	90.6	Very high	84.9	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.074	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-39.4	177.8	-65.8	0	0	0	0	112.3	C526 L546 C547 F552 C553 W554	C526-C550 VanDerWaalsContact SG-SG 3.65Å; L546-C550 HydrophobicContact CB-CB 4.23Å; L546-C550 HydrophobicContact CD2-CB 4.21Å; C547-C550 PolarHBondContact O-N 3.4Å; C550-F552 VanDerWaalsContact C-N 3.32Å; C550-F552 PolarHBondContact O-N 3.4Å; C550-C553 PolarHBondContact O-N 2.99Å; C550-W554 WeakPolarHBondContact O-CB 3.48Å; C550-W554 VanDerWaalsContact O-CD1 3.28Å; C550-W554 PolarHBondContact O-N 3.31Å
551	N	89.8	Confident	83.4	Confident	21 Å²	21	64.1 Å²	64.1	11%	0.112	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-43.7	173.9	-178	96	0	0	0	111.8	Y539 L546 C547 S549 T555	Y539-N551 HydrophobicContact CG-CB 4.42Å; Y539-N551 PolarHBondContact O-OD1 3.28Å; L546-N551 HydrophobicContact CB-CB 3.99Å; L546-N551 HydrophobicContact CD1-CB 4.31Å; C547-N551 VanDerWaalsContact O-CB 3.32Å; C547-N551 WeakPolarHBondContact O-CB 3.36Å; C547-N551 PolarHBondContact O-N 3.07Å; S549-N551 VanDerWaalsContact C-N 3.31Å; S549-N551 PolarHBondContact O-N 3.26Å; N551-T555 VanDerWaalsContact O-CB 3.32Å; N551-T555 WeakPolarHBondContact O-CB 3.19Å; N551-T555 PolarHBondContact O-N 3.43Å; N551-T555 PolarHBondContact O-OG1 3.22Å
552	F	89.7	Confident	81.8	Confident	133 Å²	133	68.3 Å²	68.3	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-63.2	-48.1	177.2	-179.3	-101.4	0	0	0	111.5	R548 S549 C550 T555 L556	R548-F552 PolarHBondContact O-N 2.97Å; S549-F552 WeakPolarHBondContact O-CB 3.47Å; S549-F552 PolarHBondContact O-N 3.41Å; S549-F552 VanDerWaalsContact O-N 3.09Å; C550-F552 VanDerWaalsContact C-N 3.32Å; C550-F552 PolarHBondContact O-N 3.4Å; F552-T555 PolarHBondContact O-N 3.42Å; F552-L556 HydrophobicContact CD1-CD1 4.04Å; F552-L556 HydrophobicContact CE1-CD1 3.54Å; F552-L556 HydrophobicContact CE2-CD1 4.35Å; F552-L556 HydrophobicContact CZ-CD1 3.72Å; F552-L556 WeakPolarHBondContact O-CG 3.45Å; F552-L556 PolarHBondContact O-N 2.82Å
553	C	87	Confident	80.1	Confident	30 Å²	30	63.1 Å²	63.1	20%	0.203	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-47.4	177.3	-60.7	0	0	0	0	112.1	S549 C550 T555 L556 T557 I564	S549-C553 PolarHBondContact O-N 2.82Å; S549-C553 PolarHBondContact O-SG 3.04Å; S549-C553 VanDerWaalsContact O-SG 3.41Å; C550-C553 PolarHBondContact O-N 2.99Å; C553-T555 VanDerWaalsContact C-N 3.34Å; C553-T555 PolarHBondContact O-N 3.44Å; C553-L556 WeakPolarHBondContact O-CB 3.33Å; C553-L556 PolarHBondContact O-N 3.09Å; C553-T557 WeakPolarHBondContact O-CG2 3.46Å; C553-T557 PolarHBondContact O-N 3.31Å; C553-T557 PolarHBondContact O-OG1 3.41Å; C553-I564 HydrophobicContact CB-CD1 4.49Å
554	W	86	Confident	78.3	Confident	6 Å²	6	62.5 Å²	62.5	2%	0.023	36%	0.36	C	S	.	.	H	α-helix	trans	-67	-33.1	-178.9	-76.8	33.2	0	0	0	112.8	E524 L541 H544 L546 C550 L556 T557 G558 G559	E524-W554 HydrophobicContact CB-CH2 4.37Å; L541-W554 HydrophobicContact CD2-CB 3.67Å; H544-W554 HydrophobicContact CB-CZ3 4.04Å; H544-W554 AromaticContact CG-CZ3 3.74Å; H544-W554 AromaticContact ND1-CZ3 3.95Å; L546-W554 HydrophobicContact CD1-CB 3.85Å; L546-W554 HydrophobicContact CD1-CD2 3.72Å; L546-W554 HydrophobicContact CD1-CE3 3.64Å; L546-W554 HydrophobicContact CD1-CG 3.83Å; L546-W554 HydrophobicContact CD1-CZ3 4.44Å; L546-W554 HydrophobicContact CD2-CD2 3.83Å; L546-W554 HydrophobicContact CD2-CE3 3.89Å; L546-W554 HydrophobicContact CD2-CG 4.46Å; L546-W554 HydrophobicContact CD2-CH2 4.1Å; L546-W554 HydrophobicContact CD2-CZ2 4.05Å; L546-W554 HydrophobicContact CD2-CZ3 4.03Å; L546-W554 HydrophobicContact CG-CD2 4.45Å; L546-W554 HydrophobicContact CG-CE3 4.33Å; C550-W554 WeakPolarHBondContact O-CB 3.48Å; C550-W554 VanDerWaalsContact O-CD1 3.28Å; C550-W554 PolarHBondContact O-N 3.31Å; W554-L556 PolarHBondContact O-N 3.36Å; W554-T557 PolarHBondContact O-N 2.89Å; W554-G558 PolarHBondContact O-N 3.13Å; W554-G559 PolarHBondContact O-N 3.22Å
555	T	86.3	Confident	76.5	Confident	85 Å²	85	65 Å²	65	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-31.5	172.5	-55.8	0	0	0	0	111.5	N551 F552 C553	N551-T555 VanDerWaalsContact O-CB 3.32Å; N551-T555 WeakPolarHBondContact O-CB 3.19Å; N551-T555 PolarHBondContact O-N 3.43Å; N551-T555 PolarHBondContact O-OG1 3.22Å; F552-T555 PolarHBondContact O-N 3.42Å; C553-T555 VanDerWaalsContact C-N 3.34Å; C553-T555 PolarHBondContact O-N 3.44Å
556	L	86.2	Confident	73.9	Confident	121 Å²	121	72.1 Å²	72.1	63%	0.634	42%	0.418	S	S	*	.	H	α-helix	trans	-84.4	-33.8	177.2	-67.2	172	0	0	0	113.3	F552 C553 W554	F552-L556 HydrophobicContact CD1-CD1 4.04Å; F552-L556 HydrophobicContact CE1-CD1 3.54Å; F552-L556 HydrophobicContact CE2-CD1 4.35Å; F552-L556 HydrophobicContact CZ-CD1 3.72Å; F552-L556 WeakPolarHBondContact O-CG 3.45Å; F552-L556 PolarHBondContact O-N 2.82Å; C553-L556 WeakPolarHBondContact O-CB 3.33Å; C553-L556 PolarHBondContact O-N 3.09Å; W554-L556 PolarHBondContact O-N 3.36Å
557	T	80.6	Confident	71.5	Confident	47 Å²	47	81.6 Å²	81.6	29%	0.288	48%	0.476	S	S	.	.	H	α-helix	trans	-94.2	-0	-176.7	63.3	0	0	0	0	114.8	C553 W554 T560 I564	C553-T557 WeakPolarHBondContact O-CG2 3.46Å; C553-T557 PolarHBondContact O-N 3.31Å; C553-T557 PolarHBondContact O-OG1 3.41Å; W554-T557 PolarHBondContact O-N 2.89Å; T557-T560 PolarHBondContact OG1-OG1 2.91Å; T557-I564 HydrophobicContact CG2-CD1 3.89Å; T557-I564 HydrophobicContact CG2-CG1 4.33Å
558	G	73.8	Confident	70.5	Confident	71 Å²	71	85.3 Å²	85.3	73%	0.732	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	38.2	-176.7	0	0	0	0	0	113.5	W554 T560	W554-G558 PolarHBondContact O-N 3.13Å; G558-T560 PolarHBondContact O-N 3.49Å
559	G	66.4	Low	69.4	Low	29 Å²	29	81.7 Å²	81.7	30%	0.299	49%	0.492	S	S	.	.	S	Bend	trans	74.9	16.3	171.9	0	0	0	0	0	116.2	W554	W554-G559 PolarHBondContact O-N 3.22Å
560	T	63.3	Low	68.3	Low	72 Å²	72	82.1 Å²	82.1	44%	0.442	49%	0.491	S	S	.	.			trans	-69.9	133.8	174.4	50.5	0	0	0	0	111.3	T557 G558 N562	T557-T560 PolarHBondContact OG1-OG1 2.91Å; G558-T560 PolarHBondContact O-N 3.49Å; T560-N562 PolarHBondContact O-N 3.35Å
561	V	56.6	Low	67	Low	105 Å²	105	86.3 Å²	86.3	64%	0.636	52%	0.515	S	S	*	.	S	Bend	trans	-66.8	-2.8	-171.6	-168	0	0	0	0	113.6	P563	V561-P563 WeakPolarHBondContact O-CD 3.02Å
562	N	53.5	Low	65.6	Low	127 Å²	127	90.4 Å²	90.4	68%	0.679	54%	0.54	S	S	*	.			trans	-78.5	106.4	176	-64.6	-21.9	0	0	0	109.3	T560 I564	T560-N562 PolarHBondContact O-N 3.35Å; N562-I564 PolarHBondContact O-N 2.95Å
563	P	47.6	Very low	64	Low	60 Å²	60	87.5 Å²	87.5	39%	0.39	54%	0.538	S	S	.	.			trans	-59.5	133.6	165.7	26.4	-33.6	0	0	0	108.7	V561 T565	V561-P563 WeakPolarHBondContact O-CD 3.02Å; P563-T565 VanDerWaalsContact C-N 3.35Å; P563-T565 HydrophobicContact CB-CG2 4.22Å; P563-T565 HydrophobicContact CG-CG2 4.02Å; P563-T565 PolarHBondContact O-N 2.97Å
564	I	46.9	Very low	62.3	Low	85 Å²	85	91.6 Å²	91.6	44%	0.436	56%	0.561	S	S	.	*			trans	-66.2	101.3	163.1	-60.7	170.5	0	0	0	105.9	C553 T557 N562 D566 V567	C553-I564 HydrophobicContact CB-CD1 4.49Å; T557-I564 HydrophobicContact CG2-CD1 3.89Å; T557-I564 HydrophobicContact CG2-CG1 4.33Å; N562-I564 PolarHBondContact O-N 2.95Å; I564-D566 VanDerWaalsContact CG2-O 3.28Å; I564-D566 WeakPolarHBondContact CG2-O 3.28Å; I564-V567 HydrophobicContact CG2-CG2 4.05Å
565	T	50.2	Low	60.5	Low	124 Å²	124	98.2 Å²	98.2	76%	0.761	60%	0.603	S	S	*	*			trans	-91.1	-5.5	177.4	51.5	0	0	0	0	113.4	P563	P563-T565 VanDerWaalsContact C-N 3.35Å; P563-T565 HydrophobicContact CB-CG2 4.22Å; P563-T565 HydrophobicContact CG-CG2 4.02Å; P563-T565 PolarHBondContact O-N 2.97Å
566	D	36.2	Very low	58.4	Low	151 Å²	151	99.3 Å²	99.3	81%	0.807	61%	0.61	S	S	*	*			trans	-105.7	100.9	170.6	-94.5	-29.7	0	0	0	110.2	I564	I564-D566 VanDerWaalsContact CG2-O 3.28Å; I564-D566 WeakPolarHBondContact CG2-O 3.28Å
567	V	39.4	Very low	55.8	Low	200 Å²	200	97.4 Å²	97.4	100%	1.212	61%	0.607	S	S	*	*			trans	-139.6	0	156.3	-175.7	0	0	0	0	107.9	I564	I564-V567 HydrophobicContact CG2-CG2 4.05Å

Retrieved 567 of 567 residues in 470.3 ms (Link to these results)

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