A0A5K4FC42_SCHMA Loading...

RPN13_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 420 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	43.2	Very low	53	Low	241 Å²	241	155.8 Å²	155.8	100%	1.187	84%	0.844	S	S	*	*				0	116.3	0	-70.5	164.9	151.5	0	0	109
2	S	53.2	Low	51.7	Low	122 Å²	122	158.5 Å²	158.5	85%	0.853	85%	0.847	S	S	*	*			trans	175	57.8	158.7	-84.6	0	0	0	0	111.4	R4	S2-R4 PolarHBondContact O-N 2.91Å
3	S	54.6	Low	51	Low	119 Å²	119	159.8 Å²	159.8	83%	0.832	85%	0.845	S	S	*	*			trans	-84.6	95.3	174.4	-53.5	0	0	0	0	109.5	T5	S3-T5 PolarHBondContact O-N 2.82Å
4	R	57.1	Low	50.6	Low	247 Å²	247	155.4 Å²	155.4	93%	0.932	83%	0.833	S	S	*	*			trans	-80.4	94.8	172.6	-77.4	-172.2	172.9	-171.8	-2	109.8	S2 A6	S2-R4 PolarHBondContact O-N 2.91Å; R4-A6 PolarHBondContact O-N 3.42Å
5	T	59.7	Low	50.4	Low	133 Å²	133	157.8 Å²	157.8	82%	0.816	84%	0.837	S	S	*	*			trans	-57.2	129.1	176.2	-48.4	0	0	0	0	111	S3 L7	S3-T5 PolarHBondContact O-N 2.82Å; T5-L7 PolarHBondContact O-N 3.44Å
6	A	59.6	Low	51.1	Low	68 Å²	68	151.7 Å²	151.7	56%	0.562	81%	0.808	S	S	*	*			trans	-69.1	121.8	176.9	0	0	0	0	0	110.8	R4 F8	R4-A6 PolarHBondContact O-N 3.42Å; A6-F8 HydrophobicContact CB-CD2 3.76Å; A6-F8 HydrophobicContact CB-CE2 3.74Å; A6-F8 PolarHBondContact O-N 3.46Å
7	L	56.8	Low	52.5	Low	176 Å²	176	155.8 Å²	155.8	92%	0.921	81%	0.809	S	S	*	*			trans	-78.5	63.3	-176.8	-170.5	68.6	0	0	0	111.5	T5 G9	T5-L7 PolarHBondContact O-N 3.44Å; L7-G9 VanDerWaalsContact C-N 3.34Å; L7-G9 PolarHBondContact O-N 3.24Å
8	F	58.1	Low	54.3	Low	190 Å²	190	151.9 Å²	151.9	83%	0.833	79%	0.787	S	S	*	*			trans	-74.2	89.6	171.2	-77.7	-74.2	0	0	0	110.1	A6 R10	A6-F8 HydrophobicContact CB-CD2 3.76Å; A6-F8 HydrophobicContact CB-CE2 3.74Å; A6-F8 PolarHBondContact O-N 3.46Å; F8-R10 PolarHBondContact O-N 2.73Å
9	G	45.1	Very low	56.2	Low	70 Å²	70	146.7 Å²	146.7	72%	0.722	76%	0.76	S	S	*	*			trans	-59.8	99.6	170.9	0	0	0	0	0	110.5	L7	L7-G9 VanDerWaalsContact C-N 3.34Å; L7-G9 PolarHBondContact O-N 3.24Å
10	R	50	Low	58	Low	235 Å²	235	140.3 Å²	140.3	89%	0.887	73%	0.726	S	S	*	*			trans	-59.8	123.7	174.5	-168.2	179.5	-168	178.4	4.1	108	F8 Q12	F8-R10 PolarHBondContact O-N 2.73Å; R10-Q12 PolarHBondContact O-N 3.1Å
11	P	45.1	Very low	59.7	Low	113 Å²	113	138.7 Å²	138.7	73%	0.734	72%	0.716	S	S	*	*			trans	-61.4	115.6	179.9	24	-32.8	0	0	0	108.9	Q13	P11-Q13 PolarHBondContact O-N 3.3Å
12	Q	38.1	Very low	62.2	Low	188 Å²	188	127.5 Å²	127.5	88%	0.879	66%	0.661	S	S	*	*			trans	-67.9	96.6	174.6	179.2	178.5	-42.2	0	0	107.6	R10 S14	R10-Q12 PolarHBondContact O-N 3.1Å; Q12-S14 PolarHBondContact O-N 3.17Å; Q12-S14 VanDerWaalsContact O-N 3.09Å
13	Q	42.5	Very low	64.2	Low	176 Å²	176	124.7 Å²	124.7	82%	0.822	63%	0.633	S	S	*	*			trans	-52	120.7	170.3	-74	176.4	-68	0	0	108.1	P11 Q15	P11-Q13 PolarHBondContact O-N 3.3Å; Q13-Q15 PolarHBondContact O-N 3.31Å; Q13-Q15 VanDerWaalsContact O-N 3.1Å
14	S	45.8	Very low	66.2	Low	98 Å²	98	119 Å²	119	69%	0.685	59%	0.593	S	S	*	*			trans	-57	117.2	172.6	37.5	0	0	0	0	107.8	Q12 T16	Q12-S14 PolarHBondContact O-N 3.17Å; Q12-S14 VanDerWaalsContact O-N 3.09Å; S14-T16 PolarHBondContact O-N 2.78Å
15	Q	47.3	Very low	68	Low	191 Å²	191	107.3 Å²	107.3	89%	0.893	55%	0.549	S	S	*	.			trans	-71.4	84.2	178.2	-71.5	-170.5	-5.5	0	0	109.1	Q13 R17	Q13-Q15 PolarHBondContact O-N 3.31Å; Q13-Q15 VanDerWaalsContact O-N 3.1Å; Q15-R17 PolarHBondContact O-N 3.34Å
16	T	61.5	Low	69.7	Low	60 Å²	60	101.7 Å²	101.7	37%	0.368	51%	0.513	S	S	.	.			trans	-59.1	97.3	169.3	46.5	0	0	0	0	108.1	S14 H18 Y47	S14-T16 PolarHBondContact O-N 2.78Å; T16-H18 PolarHBondContact O-CD2 3.04Å; T16-H18 PolarHBondContact O-N 2.92Å; T16-H18 VanDerWaalsContact O-N 3.17Å; T16-Y47 HydrophobicContact CG2-CD2 3.96Å; T16-Y47 HydrophobicContact CG2-CE2 4.05Å
17	R	73.9	Confident	71.3	Confident	221 Å²	221	100 Å²	100	83%	0.834	49%	0.494	S	S	*	.			trans	-56.2	123.9	-178	-76.6	-171.3	176.4	-173.4	1	109.5	Q15 L19	Q15-R17 PolarHBondContact O-N 3.34Å; R17-L19 PolarHBondContact O-N 3.05Å
18	H	85.8	Confident	73	Confident	87 Å²	87	95 Å²	95	40%	0.403	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	119.9	168.7	-54.7	171.4	0	0	0	107.6	T16 L20 Q21 Y45 V46	T16-H18 PolarHBondContact O-CD2 3.04Å; T16-H18 PolarHBondContact O-N 2.92Å; T16-H18 VanDerWaalsContact O-N 3.17Å; H18-L20 VanDerWaalsContact C-N 3.32Å; H18-Q21 PolarHBondContact ND1-OE1 3.22Å; H18-Y45 AromaticContact CD2-CD2 3.47Å; H18-Y45 VanDerWaalsContact CD2-CD2 3.47Å; H18-Y45 WeakPolarHBondContact CD2-CD2 3.27Å; H18-Y45 AromaticContact CD2-CE2 3.92Å; H18-Y45 AromaticContact CE1-CD2 3.78Å; H18-Y45 AromaticContact CG-CD2 3.83Å; H18-Y45 AromaticContact NE2-CD2 3.46Å; H18-Y45 WeakPolarHBondContact NE2-CD2 3.33Å; H18-Y45 AromaticContact NE2-CE2 3.65Å; H18-V46 CarbonylContact C-O 3.51Å; H18-V46 WeakPolarHBondContact CA-O 3.22Å
19	L	89.6	Confident	74.4	Confident	52 Å²	52	90.6 Å²	90.6	27%	0.272	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-35.7	173.1	-60	175.2	0	0	0	110.3	R17 V46 Q48 L54 Y123 P128	R17-L19 PolarHBondContact O-N 3.05Å; L19-V46 PolarHBondContact N-O 2.85Å; L19-Q48 HydrophobicContact CD1-CB 4.26Å; L19-L54 HydrophobicContact CD1-CD1 3.73Å; L19-Y123 HydrophobicContact CB-CD2 4.38Å; L19-Y123 HydrophobicContact CB-CE1 4.21Å; L19-Y123 HydrophobicContact CB-CE2 3.97Å; L19-Y123 HydrophobicContact CD1-CD1 4.1Å; L19-Y123 HydrophobicContact CD1-CE1 4.35Å; L19-Y123 HydrophobicContact CD1-CG 4.3Å; L19-Y123 PolarHBondContact O-OH 3.1Å; L19-P128 HydrophobicContact CD1-CG 3.82Å; L19-P128 HydrophobicContact CD2-CG 3.99Å
20	L	93.2	Very high	76.4	Confident	18 Å²	18	88.4 Å²	88.4	9%	0.094	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	147.4	176.4	-168.9	66.1	0	0	0	110	H18 F22 Y45 V46 I116 R119 I120 Y123	H18-L20 VanDerWaalsContact C-N 3.32Å; L20-F22 HydrophobicContact CD2-CD1 4.29Å; L20-F22 HydrophobicContact CD2-CE1 4.34Å; L20-F22 HydrophobicContact CG-CD1 4.31Å; L20-Y45 CarbonylContact O-C 3.57Å; L20-Y45 WeakPolarHBondContact O-CA 3.23Å; L20-V46 HydrophobicContact CB-CB 4.46Å; L20-V46 PolarHBondContact N-O 2.89Å; L20-V46 PolarHBondContact O-N 3.15Å; L20-I116 HydrophobicContact CD2-CG2 4.21Å; L20-R119 HydrophobicContact CD2-CB 4.23Å; L20-I120 HydrophobicContact CD2-CD1 4.22Å; L20-I120 HydrophobicContact CD2-CG1 3.67Å; L20-Y123 HydrophobicContact CB-CE2 4.15Å
21	Q	93.8	Very high	78.3	Confident	108 Å²	108	85.9 Å²	85.9	51%	0.505	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	143.3	167.9	64.1	-179	37.9	0	0	110.6	H18 V44	H18-Q21 PolarHBondContact ND1-OE1 3.22Å; Q21-V44 CarbonylContact C-O 3.56Å; Q21-V44 VanDerWaalsContact CA-O 3.28Å; Q21-V44 WeakPolarHBondContact CA-O 3.4Å
22	F	95.3	Very high	80.3	Confident	6 Å²	6	84.3 Å²	84.3	3%	0.026	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	155.5	-178.7	60.1	-80.2	0	0	0	111.8	L20 A24 V44 I103 M105 E107 I116 I120	L20-F22 HydrophobicContact CD2-CD1 4.29Å; L20-F22 HydrophobicContact CD2-CE1 4.34Å; L20-F22 HydrophobicContact CG-CD1 4.31Å; F22-A24 HydrophobicContact CD2-CB 4Å; F22-A24 HydrophobicContact CE2-CB 3.8Å; F22-A24 PolarHBondContact O-N 3.32Å; F22-V44 HydrophobicContact CD1-CB 4.21Å; F22-V44 HydrophobicContact CD1-CG1 4.3Å; F22-V44 HydrophobicContact CD2-CB 4.42Å; F22-V44 HydrophobicContact CE1-CB 3.72Å; F22-V44 HydrophobicContact CE1-CG1 3.45Å; F22-V44 VanDerWaalsContact CE1-CG1 3.45Å; F22-V44 HydrophobicContact CE2-CB 3.96Å; F22-V44 HydrophobicContact CE2-CG1 4.37Å; F22-V44 HydrophobicContact CE2-CG2 4.26Å; F22-V44 HydrophobicContact CZ-CB 3.59Å; F22-V44 HydrophobicContact CZ-CG1 3.51Å; F22-V44 HydrophobicContact CZ-CG2 4.12Å; F22-V44 PolarHBondContact N-O 3.24Å; F22-V44 PolarHBondContact O-N 3.49Å; F22-I103 HydrophobicContact CE2-CD1 3.74Å; F22-I103 HydrophobicContact CZ-CD1 3.86Å; F22-M105 HydrophobicContact CD2-CE 4.34Å; F22-M105 HydrophobicContact CD2-SD 3.68Å; F22-M105 HydrophobicContact CE2-CE 3.85Å; F22-M105 HydrophobicContact CE2-SD 3.6Å; F22-E107 HydrophobicContact CB-CG 4.45Å; F22-I116 HydrophobicContact CB-CD1 3.87Å; F22-I116 HydrophobicContact CD1-CG2 3.8Å; F22-I116 HydrophobicContact CD2-CD1 4.44Å; F22-I116 HydrophobicContact CD2-CG2 4.1Å; F22-I116 HydrophobicContact CE1-CG2 3.74Å; F22-I116 HydrophobicContact CE2-CG2 4.02Å; F22-I116 HydrophobicContact CG-CD1 4.15Å; F22-I116 HydrophobicContact CG-CG2 3.99Å; F22-I116 HydrophobicContact CZ-CG2 3.84Å; F22-I120 HydrophobicContact CE1-CD1 3.77Å; F22-I120 HydrophobicContact CZ-CD1 3.84Å
23	K	95.8	Very high	82.6	Confident	63 Å²	63	82.1 Å²	82.1	27%	0.274	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	121.1	175.9	-62.2	165.1	-154.3	79	0	110.2	G42 Q106 E107	K23-G42 WeakPolarHBondContact CA-O 3.47Å; K23-Q106 HydrophobicContact CB-CB 3.81Å; K23-Q106 WeakPolarHBondContact O-CA 3.16Å; K23-Q106 PolarHBondContact O-N 3.48Å; K23-E107 HydrophobicContact CB-CG 4.19Å; K23-E107 WeakPolarHBondContact CB-OE1 3.46Å; K23-E107 WeakPolarHBondContact CD-OE1 3.13Å; K23-E107 WeakPolarHBondContact CG-OE1 3.43Å; K23-E107 PolarHBondContact N-OE1 3.03Å; K23-E107 IonicContact NZ-OE1 2.69Å; K23-E107 PolarHBondContact NZ-OE1 2.85Å; K23-E107 IonicContact NZ-OE2 2.72Å; K23-E107 PolarHBondContact NZ-OE2 3.38Å; K23-E107 PolarHBondContact O-N 3.08Å
24	A	96.3	Very high	84.8	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	141.8	171.7	0	0	0	0	0	111.3	F22 G42 V44 W58 I103 W104 M105	F22-A24 HydrophobicContact CD2-CB 4Å; F22-A24 HydrophobicContact CE2-CB 3.8Å; F22-A24 PolarHBondContact O-N 3.32Å; A24-G42 PolarHBondContact N-O 3.44Å; A24-G42 VanDerWaalsContact N-O 3.07Å; A24-G42 CarbonylContact O-C 3.58Å; A24-G42 WeakPolarHBondContact O-CA 3.47Å; A24-V44 HydrophobicContact CB-CG2 4.07Å; A24-W58 PolarHBondContact O-NE1 3.42Å; A24-I103 HydrophobicContact CB-CB 4.42Å; A24-I103 HydrophobicContact CB-CD1 4.09Å; A24-W104 CarbonylContact C-O 3.49Å; A24-W104 WeakPolarHBondContact CA-O 3.39Å; A24-W104 WeakPolarHBondContact CB-O 3.39Å; A24-M105 HydrophobicContact CB-SD 4.49Å
25	G	95.7	Very high	87	Confident	0 Å²	0	80 Å²	80	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	160.6	167.2	0	0	0	0	0	110.3	I103 W104 Q106	G25-I103 CarbonylContact O-C 3.57Å; G25-I103 WeakPolarHBondContact O-CA 3.37Å; G25-I103 VanDerWaalsContact O-CB 3.3Å; G25-I103 WeakPolarHBondContact O-CB 3.43Å; G25-W104 PolarHBondContact N-O 2.96Å; G25-W104 PolarHBondContact O-N 3.03Å; G25-Q106 VanDerWaalsContact N-CD 3.33Å
26	K	94.6	Very high	89.1	Confident	15 Å²	15	75.4 Å²	75.4	7%	0.065	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	173.2	171.7	62	177.4	170.3	179.4	0	111.2	D38 W58 E67 D68 F101 F102 W104	K26-D38 HydrophobicContact CG-CB 3.93Å; K26-D38 WeakPolarHBondContact O-CB 3.24Å; K26-D38 PolarHBondContact O-N 2.81Å; K26-W58 HydrophobicContact CB-CD2 4.5Å; K26-W58 HydrophobicContact CD-CD2 4Å; K26-W58 HydrophobicContact CD-CE3 3.97Å; K26-W58 HydrophobicContact CD-CH2 4.39Å; K26-W58 HydrophobicContact CD-CZ2 4.42Å; K26-W58 HydrophobicContact CD-CZ3 4.17Å; K26-W58 VanDerWaalsContact CE-CZ3 3.5Å; K26-W58 HydrophobicContact CG-CD2 4.22Å; K26-W58 HydrophobicContact CG-CH2 4.31Å; K26-W58 HydrophobicContact CG-CZ2 3.99Å; K26-E67 WeakPolarHBondContact CE-OE2 3.41Å; K26-E67 IonicContact NZ-OE2 3.31Å; K26-E67 PolarHBondContact NZ-OE2 2.91Å; K26-D68 WeakPolarHBondContact CD-OD2 3.38Å; K26-D68 IonicContact NZ-OD2 3.31Å; K26-D68 PolarHBondContact NZ-OD2 3.45Å; K26-F101 HydrophobicContact CB-CE2 4.05Å; K26-F101 HydrophobicContact CB-CZ 3.74Å; K26-F101 HydrophobicContact CD-CE2 4.19Å; K26-F101 HydrophobicContact CD-CZ 4.24Å; K26-F102 CarbonylContact C-O 3.52Å; K26-W104 PolarHBondContact O-NE1 3.38Å
27	M	94.1	Very high	90.6	Very high	32 Å²	32	75.2 Å²	75.2	16%	0.158	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.7	165.3	-43.1	174.3	143.9	0	0	108.1	V35 H36 A37 V90 F102 W104	M27-V35 HydrophobicContact CB-CG1 3.61Å; M27-V35 HydrophobicContact CG-CG1 4.4Å; M27-V35 HydrophobicContact SD-CG1 3.96Å; M27-H36 CarbonylContact C-O 3.51Å; M27-H36 VanDerWaalsContact CA-O 3.22Å; M27-H36 WeakPolarHBondContact CA-O 3.5Å; M27-H36 WeakPolarHBondContact CB-O 3.48Å; M27-A37 HydrophobicContact CE-CB 4.01Å; M27-A37 HydrophobicContact CG-CB 4.32Å; M27-V90 HydrophobicContact CE-CG1 3.89Å; M27-V90 HydrophobicContact CE-CG2 3.71Å; M27-V90 HydrophobicContact SD-CG1 3.82Å; M27-F102 HydrophobicContact CB-CB 3.91Å; M27-F102 HydrophobicContact CG-CB 4.05Å; M27-F102 PolarHBondContact N-O 3.03Å; M27-F102 HydrophobicContact SD-CB 3.85Å; M27-W104 HydrophobicContact CE-CB 4.25Å; M27-W104 HydrophobicContact CE-CG 4.45Å
28	T	90.5	Very high	91.5	Very high	71 Å²	71	65.4 Å²	65.4	44%	0.436	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.1	-178	45.6	0	0	0	0	109.5	H36	T28-H36 PolarHBondContact N-O 3.33Å; T28-H36 PolarHBondContact O-N 3.17Å
29	I	89	Confident	91.9	Very high	99 Å²	99	66.7 Å²	66.7	51%	0.508	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.5	168.5	-60.7	162.6	0	0	0	106.8	W34 V35	I29-W34 WeakPolarHBondContact CA-O 3.47Å; I29-V35 HydrophobicContact CG1-CG2 4.03Å
30	G	87.4	Confident	92.1	Very high	23 Å²	23	67.2 Å²	67.2	24%	0.237	35%	0.354	C	S	.	.			trans	-82.4	174.5	173.8	0	0	0	0	0	112.5	D32 N33 W34	G30-D32 VanDerWaalsContact CA-OD1 3.32Å; G30-D32 WeakPolarHBondContact CA-OD1 3.25Å; G30-D32 PolarHBondContact O-N 3.11Å; G30-D32 VanDerWaalsContact O-N 3.15Å; G30-N33 PolarHBondContact O-N 3.25Å; G30-W34 PolarHBondContact N-O 3.14Å
31	D	88.4	Confident	92.2	Very high	182 Å²	182	72.9 Å²	72.9	97%	0.973	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.6	174.3	-53.6	-60.3	0	0	0	112.5	N33	D31-N33 VanDerWaalsContact C-N 3.28Å
32	D	88.2	Confident	92.3	Very high	80 Å²	80	67.7 Å²	67.7	43%	0.428	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	5	172.8	63.6	-9.9	0	0	0	113.9	G30 W34 H36	G30-D32 VanDerWaalsContact CA-OD1 3.32Å; G30-D32 WeakPolarHBondContact CA-OD1 3.25Å; G30-D32 PolarHBondContact O-N 3.11Å; G30-D32 VanDerWaalsContact O-N 3.15Å; D32-W34 PolarHBondContact O-N 2.99Å; D32-W34 VanDerWaalsContact O-N 3.12Å; D32-W34 PolarHBondContact OD1-N 2.98Å; D32-W34 VanDerWaalsContact OD1-N 3.08Å; D32-H36 IonicContact OD1-CD2 3.16Å; D32-H36 IonicContact OD1-NE2 2.71Å; D32-H36 PolarHBondContact OD1-NE2 3.37Å; D32-H36 IonicContact OD2-CD2 3.79Å; D32-H36 IonicContact OD2-CE1 2.79Å; D32-H36 IonicContact OD2-NE2 2.75Å; D32-H36 PolarHBondContact OD2-NE2 3.04Å
33	N	86.1	Confident	92.2	Very high	142 Å²	142	72.2 Å²	72.2	76%	0.759	37%	0.371	S	S	*	.	S	Bend	trans	60.4	2.9	-170.4	-77.3	-28	0	0	0	115.8	G30 D31	G30-N33 PolarHBondContact O-N 3.25Å; D31-N33 VanDerWaalsContact C-N 3.28Å
34	W	89.3	Confident	92.3	Very high	168 Å²	168	69.2 Å²	69.2	64%	0.636	36%	0.357	S	S	*	.			trans	-83.8	145.9	178.6	-72.8	90.6	0	0	0	111.8	I29 G30 D32 H36	I29-W34 WeakPolarHBondContact CA-O 3.47Å; G30-W34 PolarHBondContact N-O 3.14Å; D32-W34 PolarHBondContact O-N 2.99Å; D32-W34 VanDerWaalsContact O-N 3.12Å; D32-W34 PolarHBondContact OD1-N 2.98Å; D32-W34 VanDerWaalsContact OD1-N 3.08Å; W34-H36 PolarHBondContact O-CD2 3.11Å; W34-H36 PolarHBondContact O-N 3.47Å
35	V	90.8	Very high	92.2	Very high	62 Å²	62	70.5 Å²	70.5	38%	0.376	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	96.8	178.8	-179.7	0	0	0	0	109.7	M27 I29 F102	M27-V35 HydrophobicContact CB-CG1 3.61Å; M27-V35 HydrophobicContact CG-CG1 4.4Å; M27-V35 HydrophobicContact SD-CG1 3.96Å; I29-V35 HydrophobicContact CG1-CG2 4.03Å; V35-F102 HydrophobicContact CG1-CB 4.41Å; V35-F102 HydrophobicContact CG1-CD2 4.04Å; V35-F102 HydrophobicContact CG1-CE2 4.49Å; V35-F102 HydrophobicContact CG1-CG 4.18Å; V35-F102 HydrophobicContact CG2-CD2 4.39Å; V35-F102 HydrophobicContact CG2-CE2 4.05Å; V35-F102 HydrophobicContact CG2-CZ 4.42Å
36	H	92.4	Very high	92.1	Very high	94 Å²	94	70.6 Å²	70.6	44%	0.435	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.1	179.6	-67.4	-73.5	0	0	0	111.8	M27 T28 D32 W34	M27-H36 CarbonylContact C-O 3.51Å; M27-H36 VanDerWaalsContact CA-O 3.22Å; M27-H36 WeakPolarHBondContact CA-O 3.5Å; M27-H36 WeakPolarHBondContact CB-O 3.48Å; T28-H36 PolarHBondContact N-O 3.33Å; T28-H36 PolarHBondContact O-N 3.17Å; D32-H36 IonicContact OD1-CD2 3.16Å; D32-H36 IonicContact OD1-NE2 2.71Å; D32-H36 PolarHBondContact OD1-NE2 3.37Å; D32-H36 IonicContact OD2-CD2 3.79Å; D32-H36 IonicContact OD2-CE1 2.79Å; D32-H36 IonicContact OD2-NE2 2.75Å; D32-H36 PolarHBondContact OD2-NE2 3.04Å; W34-H36 PolarHBondContact O-CD2 3.11Å; W34-H36 PolarHBondContact O-N 3.47Å
37	A	92.6	Very high	92	Very high	56 Å²	56	71.3 Å²	71.3	46%	0.463	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.7	-179.4	0	0	0	0	0	111.5	M27 P39	M27-A37 HydrophobicContact CE-CB 4.01Å; M27-A37 HydrophobicContact CG-CB 4.32Å; A37-P39 VanDerWaalsContact O-CD 3.31Å; A37-P39 WeakPolarHBondContact O-CD 3.24Å
38	D	93.7	Very high	91.8	Very high	16 Å²	16	71.2 Å²	71.2	9%	0.086	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-69.6	117.8	174.3	-173.2	-24.6	0	0	0	108.8	K26 R40 W104	K26-D38 HydrophobicContact CG-CB 3.93Å; K26-D38 WeakPolarHBondContact O-CB 3.24Å; K26-D38 PolarHBondContact O-N 2.81Å; D38-R40 PolarHBondContact O-N 3.08Å; D38-R40 WeakPolarHBondContact OD1-CB 3.4Å; D38-R40 WeakPolarHBondContact OD1-CG 3.41Å; D38-R40 PolarHBondContact OD1-N 2.92Å; D38-R40 IonicContact OD1-NE 3.49Å; D38-R40 PolarHBondContact OD1-NE 2.89Å; D38-R40 IonicContact OD2-CZ 3.96Å; D38-R40 VanDerWaalsContact OD2-CZ 3.27Å; D38-R40 IonicContact OD2-NE 3.25Å; D38-R40 PolarHBondContact OD2-NE 3.2Å; D38-R40 IonicContact OD2-NH2 3.33Å; D38-R40 PolarHBondContact OD2-NH2 3.05Å; D38-W104 WeakPolarHBondContact O-CZ2 3.3Å; D38-W104 PolarHBondContact O-NE1 2.98Å
39	P	92.6	Very high	91.7	Very high	114 Å²	114	69.4 Å²	69.4	74%	0.74	36%	0.355	S	S	*	.			trans	-74.2	-5.5	-177.3	31.8	-36.6	0	0	0	113.1	A37	A37-P39 VanDerWaalsContact O-CD 3.31Å; A37-P39 WeakPolarHBondContact O-CD 3.24Å
40	R	94.5	Very high	91.4	Very high	63 Å²	63	67.7 Å²	67.7	24%	0.238	36%	0.362	C	S	.	.	S	Bend	trans	-70.7	150.2	-178.7	-62.4	178.7	-59.4	154.2	-7.1	111.5	D38 G42 D60 E67 Q106	D38-R40 PolarHBondContact O-N 3.08Å; D38-R40 WeakPolarHBondContact OD1-CB 3.4Å; D38-R40 WeakPolarHBondContact OD1-CG 3.41Å; D38-R40 PolarHBondContact OD1-N 2.92Å; D38-R40 IonicContact OD1-NE 3.49Å; D38-R40 PolarHBondContact OD1-NE 2.89Å; D38-R40 IonicContact OD2-CZ 3.96Å; D38-R40 VanDerWaalsContact OD2-CZ 3.27Å; D38-R40 IonicContact OD2-NE 3.25Å; D38-R40 PolarHBondContact OD2-NE 3.2Å; D38-R40 IonicContact OD2-NH2 3.33Å; D38-R40 PolarHBondContact OD2-NH2 3.05Å; R40-G42 PolarHBondContact O-N 3.44Å; R40-D60 WeakPolarHBondContact CD-OD2 3.39Å; R40-D60 IonicContact CZ-OD2 3.05Å; R40-D60 IonicContact NE-OD2 2.73Å; R40-D60 IonicContact NH1-OD2 2.72Å; R40-D60 PolarHBondContact NH1-OD2 3.15Å; R40-E67 IonicContact CZ-OE1 2.73Å; R40-E67 IonicContact CZ-OE2 3.77Å; R40-E67 IonicContact NH1-OE1 2.99Å; R40-E67 PolarHBondContact NH1-OE1 3.06Å; R40-E67 IonicContact NH1-OE2 2.67Å; R40-E67 IonicContact NH2-OE1 3.59Å; R40-E67 PolarHBondContact NH2-OE1 2.89Å; R40-E67 IonicContact NH2-OE2 2.71Å; R40-E67 PolarHBondContact NH2-OE2 2.75Å; R40-Q106 PolarHBondContact O-NE2 3.07Å
41	K	95.1	Very high	91.3	Very high	136 Å²	136	70.5 Å²	70.5	59%	0.591	37%	0.372	S	S	*	.			trans	-85.2	114	-179.8	-65.9	-179	-179.2	174.8	0	108	R61 Q106	K41-R61 WeakPolarHBondContact O-CB 3.35Å; K41-R61 WeakPolarHBondContact O-CD 3.49Å; K41-R61 WeakPolarHBondContact O-CG 3.37Å; K41-R61 PolarHBondContact O-N 2.71Å; K41-Q106 VanDerWaalsContact CA-OE1 3.22Å
42	G	95.6	Very high	91.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	160.2	-174.3	0	0	0	0	0	113.8	K23 A24 R40 I59	K23-G42 WeakPolarHBondContact CA-O 3.47Å; A24-G42 PolarHBondContact N-O 3.44Å; A24-G42 VanDerWaalsContact N-O 3.07Å; A24-G42 CarbonylContact O-C 3.58Å; A24-G42 WeakPolarHBondContact O-CA 3.47Å; R40-G42 PolarHBondContact O-N 3.44Å; G42-I59 CarbonylContact C-O 3.55Å; G42-I59 VanDerWaalsContact CA-O 3.25Å; G42-I59 WeakPolarHBondContact CA-O 3.47Å
43	W	94.5	Very high	91.1	Very high	100 Å²	100	62.9 Å²	62.9	38%	0.379	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.6	162.7	-77.7	-3.7	0	0	0	109.2	W58 I59 R61	W43-W58 WeakPolarHBondContact O-CA 3.34Å; W43-I59 PolarHBondContact N-O 3.43Å; W43-I59 PolarHBondContact O-N 2.98Å; W43-R61 HydrophobicContact CD2-CG 4.38Å; W43-R61 HydrophobicContact CG-CG 3.94Å
44	V	96.1	Very high	91.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.2	161.1	172.8	0	0	0	0	107.9	Q21 F22 A24 F56 C57 I103	Q21-V44 CarbonylContact C-O 3.56Å; Q21-V44 VanDerWaalsContact CA-O 3.28Å; Q21-V44 WeakPolarHBondContact CA-O 3.4Å; F22-V44 HydrophobicContact CD1-CB 4.21Å; F22-V44 HydrophobicContact CD1-CG1 4.3Å; F22-V44 HydrophobicContact CD2-CB 4.42Å; F22-V44 HydrophobicContact CE1-CB 3.72Å; F22-V44 HydrophobicContact CE1-CG1 3.45Å; F22-V44 VanDerWaalsContact CE1-CG1 3.45Å; F22-V44 HydrophobicContact CE2-CB 3.96Å; F22-V44 HydrophobicContact CE2-CG1 4.37Å; F22-V44 HydrophobicContact CE2-CG2 4.26Å; F22-V44 HydrophobicContact CZ-CB 3.59Å; F22-V44 HydrophobicContact CZ-CG1 3.51Å; F22-V44 HydrophobicContact CZ-CG2 4.12Å; F22-V44 PolarHBondContact N-O 3.24Å; F22-V44 PolarHBondContact O-N 3.49Å; A24-V44 HydrophobicContact CB-CG2 4.07Å; V44-F56 HydrophobicContact CG1-CD1 4.42Å; V44-F56 HydrophobicContact CG1-CD2 4.32Å; V44-F56 HydrophobicContact CG1-CE1 3.85Å; V44-F56 HydrophobicContact CG1-CE2 3.75Å; V44-F56 HydrophobicContact CG1-CZ 3.49Å; V44-F56 VanDerWaalsContact CG1-CZ 3.49Å; V44-F56 HydrophobicContact CG2-CE1 4.42Å; V44-F56 HydrophobicContact CG2-CZ 4.33Å; V44-C57 WeakPolarHBondContact CA-O 3.27Å; V44-I103 HydrophobicContact CG2-CD1 4.07Å
45	Y	94.7	Very high	91.6	Very high	28 Å²	28	49 Å²	49	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.5	167	74.3	-73.1	0	0	0	110.8	H18 L20 Y47 C57 I59 V66	H18-Y45 AromaticContact CD2-CD2 3.47Å; H18-Y45 VanDerWaalsContact CD2-CD2 3.47Å; H18-Y45 WeakPolarHBondContact CD2-CD2 3.27Å; H18-Y45 AromaticContact CD2-CE2 3.92Å; H18-Y45 AromaticContact CE1-CD2 3.78Å; H18-Y45 AromaticContact CG-CD2 3.83Å; H18-Y45 AromaticContact NE2-CD2 3.46Å; H18-Y45 WeakPolarHBondContact NE2-CD2 3.33Å; H18-Y45 AromaticContact NE2-CE2 3.65Å; L20-Y45 CarbonylContact O-C 3.57Å; L20-Y45 WeakPolarHBondContact O-CA 3.23Å; Y45-Y47 AromaticContact CD2-CD1 3.95Å; Y45-Y47 HydrophobicContact CD2-CD1 3.95Å; Y45-Y47 AromaticContact CE2-CD1 3.43Å; Y45-Y47 HydrophobicContact CE2-CD1 3.43Å; Y45-Y47 VanDerWaalsContact CE2-CD1 3.43Å; Y45-Y47 AromaticContact CE2-CE1 3.81Å; Y45-Y47 HydrophobicContact CE2-CE1 3.81Å; Y45-Y47 HydrophobicContact CE2-CG 4.45Å; Y45-C57 HydrophobicContact CD1-CB 3.71Å; Y45-C57 HydrophobicContact CE1-CB 3.19Å; Y45-C57 HydrophobicContact CE2-CB 4.25Å; Y45-C57 HydrophobicContact CG-CB 4.4Å; Y45-C57 PolarHBondContact N-O 3.19Å; Y45-C57 PolarHBondContact O-N 2.72Å; Y45-I59 HydrophobicContact CD1-CD1 3.78Å; Y45-I59 HydrophobicContact CD1-CG1 3.86Å; Y45-I59 HydrophobicContact CE1-CD1 3.47Å; Y45-I59 VanDerWaalsContact CE1-CD1 3.47Å; Y45-I59 HydrophobicContact CE1-CG1 3.56Å; Y45-V66 HydrophobicContact CE1-CG2 4.45Å
46	V	94.1	Very high	91.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.3	179.3	-176.6	0	0	0	0	108	H18 L19 L20 L54 H55 F56	H18-V46 CarbonylContact C-O 3.51Å; H18-V46 WeakPolarHBondContact CA-O 3.22Å; L19-V46 PolarHBondContact N-O 2.85Å; L20-V46 HydrophobicContact CB-CB 4.46Å; L20-V46 PolarHBondContact N-O 2.89Å; L20-V46 PolarHBondContact O-N 3.15Å; V46-L54 HydrophobicContact CG1-CD1 3.62Å; V46-L54 HydrophobicContact CG1-CD2 3.97Å; V46-L54 HydrophobicContact CG1-CG 3.72Å; V46-H55 VanDerWaalsContact CA-O 3.26Å; V46-H55 WeakPolarHBondContact CA-O 3.25Å; V46-F56 HydrophobicContact CG2-CD2 3.69Å; V46-F56 HydrophobicContact CG2-CE2 4.29Å; V46-F56 HydrophobicContact CG2-CG 4.39Å
47	Y	92.9	Very high	91.9	Very high	30 Å²	30	41.6 Å²	41.6	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	166.7	175.1	74.4	-86.8	0	0	0	110.7	T16 Y45 H55	T16-Y47 HydrophobicContact CG2-CD2 3.96Å; T16-Y47 HydrophobicContact CG2-CE2 4.05Å; Y45-Y47 AromaticContact CD2-CD1 3.95Å; Y45-Y47 HydrophobicContact CD2-CD1 3.95Å; Y45-Y47 AromaticContact CE2-CD1 3.43Å; Y45-Y47 HydrophobicContact CE2-CD1 3.43Å; Y45-Y47 VanDerWaalsContact CE2-CD1 3.43Å; Y45-Y47 AromaticContact CE2-CE1 3.81Å; Y45-Y47 HydrophobicContact CE2-CE1 3.81Å; Y45-Y47 HydrophobicContact CE2-CG 4.45Å; Y47-H55 HydrophobicContact CD1-CB 3.67Å; Y47-H55 HydrophobicContact CD2-CB 4.29Å; Y47-H55 HydrophobicContact CE1-CB 3.31Å; Y47-H55 AromaticContact CE1-CG 3.88Å; Y47-H55 HydrophobicContact CE2-CB 3.96Å; Y47-H55 AromaticContact CE2-CD2 3.85Å; Y47-H55 AromaticContact CE2-CG 3.91Å; Y47-H55 HydrophobicContact CG-CB 4.16Å; Y47-H55 VanDerWaalsContact CZ-CB 3.46Å; Y47-H55 AromaticContact CZ-CD2 3.87Å; Y47-H55 AromaticContact CZ-CG 3.48Å; Y47-H55 VanDerWaalsContact CZ-CG 3.48Å; Y47-H55 AromaticContact CZ-ND1 3.92Å; Y47-H55 PolarHBondContact N-O 3.32Å; Y47-H55 PolarHBondContact O-N 3.28Å; Y47-H55 PolarHBondContact OH-ND1 2.89Å
48	Q	90.3	Very high	92.1	Very high	31 Å²	31	39 Å²	39	15%	0.145	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.8	170.2	-167.1	176.4	19.1	0	0	109.3	L19 G52 K53 P128	L19-Q48 HydrophobicContact CD1-CB 4.26Å; Q48-G52 PolarHBondContact NE2-O 3.09Å; Q48-K53 WeakPolarHBondContact CA-O 3.21Å; Q48-P128 PolarHBondContact NE2-O 2.85Å; Q48-P128 PolarHBondContact OE1-O 2.83Å; Q48-P128 VanDerWaalsContact OE1-O 3.13Å
49	S	86.9	Confident	92.2	Very high	32 Å²	32	39.5 Å²	39.5	22%	0.224	21%	0.212	C	C	.	.			trans	-82.8	164.1	175.9	174.1	0	0	0	0	111	D51 G52 K53 H55 Q130	S49-D51 WeakPolarHBondContact CB-OD1 3.19Å; S49-D51 PolarHBondContact O-N 3.35Å; S49-D51 VanDerWaalsContact O-N 3.11Å; S49-D51 PolarHBondContact OG-OD1 3.24Å; S49-G52 WeakPolarHBondContact O-CA 3.43Å; S49-G52 PolarHBondContact O-N 3.23Å; S49-K53 PolarHBondContact N-O 3.11Å; S49-H55 VanDerWaalsContact CB-CD2 3.43Å; S49-H55 WeakPolarHBondContact CB-CD2 3.39Å; S49-H55 WeakPolarHBondContact CB-NE2 3.43Å; S49-Q130 PolarHBondContact O-OE1 2.66Å
50	G	84.3	Confident	92.3	Very high	64 Å²	64	34.2 Å²	34.2	66%	0.66	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16	179.6	0	0	0	0	0	114.4	G52 Q130	G50-G52 VanDerWaalsContact C-N 3.27Å; G50-Q130 PolarHBondContact O-NE2 3.34Å
51	D	85	Confident	92.2	Very high	82 Å²	82	35.5 Å²	35.5	44%	0.439	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	5.9	172	73.1	-17.9	0	0	0	113.6	S49 K53	S49-D51 WeakPolarHBondContact CB-OD1 3.19Å; S49-D51 PolarHBondContact O-N 3.35Å; S49-D51 VanDerWaalsContact O-N 3.11Å; S49-D51 PolarHBondContact OG-OD1 3.24Å; D51-K53 VanDerWaalsContact C-N 3.27Å; D51-K53 PolarHBondContact O-N 3.23Å; D51-K53 WeakPolarHBondContact OD1-CB 3.43Å; D51-K53 PolarHBondContact OD1-N 3.33Å; D51-K53 VanDerWaalsContact OD1-N 3.08Å; D51-K53 WeakPolarHBondContact OD2-CD 3.34Å; D51-K53 WeakPolarHBondContact OD2-CG 3.18Å; D51-K53 IonicContact OD2-NZ 2.63Å; D51-K53 PolarHBondContact OD2-NZ 3.46Å
52	G	83.7	Confident	92.1	Very high	22 Å²	22	36.8 Å²	36.8	23%	0.227	19%	0.188	C	C	.	.	S	Bend	trans	80.4	-5.2	179.5	0	0	0	0	0	115	Q48 S49 G50 Q130	Q48-G52 PolarHBondContact NE2-O 3.09Å; S49-G52 WeakPolarHBondContact O-CA 3.43Å; S49-G52 PolarHBondContact O-N 3.23Å; G50-G52 VanDerWaalsContact C-N 3.27Å; G52-Q130 VanDerWaalsContact N-NE2 3.19Å
53	K	88.6	Confident	92	Very high	79 Å²	79	40.1 Å²	40.1	34%	0.343	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-77.5	147.8	-179	-59.9	-169.3	-168.6	90	0	111.7	Q48 S49 D51 I71	Q48-K53 WeakPolarHBondContact CA-O 3.21Å; S49-K53 PolarHBondContact N-O 3.11Å; D51-K53 VanDerWaalsContact C-N 3.27Å; D51-K53 PolarHBondContact O-N 3.23Å; D51-K53 WeakPolarHBondContact OD1-CB 3.43Å; D51-K53 PolarHBondContact OD1-N 3.33Å; D51-K53 VanDerWaalsContact OD1-N 3.08Å; D51-K53 WeakPolarHBondContact OD2-CD 3.34Å; D51-K53 WeakPolarHBondContact OD2-CG 3.18Å; D51-K53 IonicContact OD2-NZ 2.63Å; D51-K53 PolarHBondContact OD2-NZ 3.46Å; K53-I71 HydrophobicContact CB-CG2 3.87Å; K53-I71 HydrophobicContact CD-CG2 3.43Å; K53-I71 VanDerWaalsContact CD-CG2 3.43Å; K53-I71 HydrophobicContact CG-CG2 4.28Å
54	L	92	Very high	91.8	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.4	175.9	-165.4	76.9	0	0	0	109.1	L19 V46 I72 I124	L19-L54 HydrophobicContact CD1-CD1 3.73Å; V46-L54 HydrophobicContact CG1-CD1 3.62Å; V46-L54 HydrophobicContact CG1-CD2 3.97Å; V46-L54 HydrophobicContact CG1-CG 3.72Å; L54-I72 HydrophobicContact CB-CB 4.37Å; L54-I72 PolarHBondContact N-O 3.45Å; L54-I72 PolarHBondContact O-N 2.79Å; L54-I124 HydrophobicContact CD2-CG1 3.63Å
55	H	93.5	Very high	91.6	Very high	15 Å²	15	47.7 Å²	47.7	7%	0.069	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.6	172.4	-77	-101.5	0	0	0	109.7	V46 Y47 S49 N69 F70	V46-H55 VanDerWaalsContact CA-O 3.26Å; V46-H55 WeakPolarHBondContact CA-O 3.25Å; Y47-H55 HydrophobicContact CD1-CB 3.67Å; Y47-H55 HydrophobicContact CD2-CB 4.29Å; Y47-H55 HydrophobicContact CE1-CB 3.31Å; Y47-H55 AromaticContact CE1-CG 3.88Å; Y47-H55 HydrophobicContact CE2-CB 3.96Å; Y47-H55 AromaticContact CE2-CD2 3.85Å; Y47-H55 AromaticContact CE2-CG 3.91Å; Y47-H55 HydrophobicContact CG-CB 4.16Å; Y47-H55 VanDerWaalsContact CZ-CB 3.46Å; Y47-H55 AromaticContact CZ-CD2 3.87Å; Y47-H55 AromaticContact CZ-CG 3.48Å; Y47-H55 VanDerWaalsContact CZ-CG 3.48Å; Y47-H55 AromaticContact CZ-ND1 3.92Å; Y47-H55 PolarHBondContact N-O 3.32Å; Y47-H55 PolarHBondContact O-N 3.28Å; Y47-H55 PolarHBondContact OH-ND1 2.89Å; S49-H55 VanDerWaalsContact CB-CD2 3.43Å; S49-H55 WeakPolarHBondContact CB-CD2 3.39Å; S49-H55 WeakPolarHBondContact CB-NE2 3.43Å; H55-N69 PolarHBondContact ND1-OD1 3.02Å; H55-F70 WeakPolarHBondContact CA-O 3.24Å
56	F	94.5	Very high	91.6	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.7	171.5	-178.1	-74.5	0	0	0	108	V44 V46 F70 I72 L93 F101 I103 I120	V44-F56 HydrophobicContact CG1-CD1 4.42Å; V44-F56 HydrophobicContact CG1-CD2 4.32Å; V44-F56 HydrophobicContact CG1-CE1 3.85Å; V44-F56 HydrophobicContact CG1-CE2 3.75Å; V44-F56 HydrophobicContact CG1-CZ 3.49Å; V44-F56 VanDerWaalsContact CG1-CZ 3.49Å; V44-F56 HydrophobicContact CG2-CE1 4.42Å; V44-F56 HydrophobicContact CG2-CZ 4.33Å; V46-F56 HydrophobicContact CG2-CD2 3.69Å; V46-F56 HydrophobicContact CG2-CE2 4.29Å; V46-F56 HydrophobicContact CG2-CG 4.39Å; F56-F70 HydrophobicContact CB-CB 4.4Å; F56-F70 HydrophobicContact CD1-CD2 4.22Å; F56-F70 PolarHBondContact N-O 2.87Å; F56-F70 PolarHBondContact O-N 3.29Å; F56-I72 HydrophobicContact CB-CD1 3.61Å; F56-I72 HydrophobicContact CB-CG1 4.36Å; F56-I72 HydrophobicContact CD2-CD1 4.46Å; F56-I72 HydrophobicContact CG-CD1 4.3Å; F56-L93 HydrophobicContact CB-CD2 4.39Å; F56-L93 HydrophobicContact CD1-CD2 3.67Å; F56-L93 HydrophobicContact CD2-CD2 4.05Å; F56-L93 HydrophobicContact CE1-CD2 3.83Å; F56-L93 HydrophobicContact CE2-CD2 4.19Å; F56-L93 HydrophobicContact CG-CD2 3.79Å; F56-L93 HydrophobicContact CZ-CD2 4.08Å; F56-F101 HydrophobicContact CE1-CD1 4.02Å; F56-F101 AromaticContact CE1-CE1 3.95Å; F56-F101 HydrophobicContact CE1-CE1 3.95Å; F56-I103 HydrophobicContact CZ-CD1 4.3Å; F56-I120 HydrophobicContact CE2-CD1 4.39Å; F56-I120 HydrophobicContact CE2-CG2 4.47Å
57	C	95.2	Very high	91.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.6	-167.6	-59.6	0	0	0	0	111.9	V44 Y45 V66 D68 N69	V44-C57 WeakPolarHBondContact CA-O 3.27Å; Y45-C57 HydrophobicContact CD1-CB 3.71Å; Y45-C57 HydrophobicContact CE1-CB 3.19Å; Y45-C57 HydrophobicContact CE2-CB 4.25Å; Y45-C57 HydrophobicContact CG-CB 4.4Å; Y45-C57 PolarHBondContact N-O 3.19Å; Y45-C57 PolarHBondContact O-N 2.72Å; C57-V66 HydrophobicContact CB-CG1 4.04Å; C57-D68 CarbonylContact C-O 3.56Å; C57-D68 VanDerWaalsContact CA-O 3.25Å; C57-D68 WeakPolarHBondContact CA-O 3.46Å; C57-N69 PolarHBondContact SG-OD1 3.31Å
58	W	96.8	Very high	91.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.3	175.7	-172.4	92.2	0	0	0	111	A24 K26 W43 D60 V66 E67 D68 F101	A24-W58 PolarHBondContact O-NE1 3.42Å; K26-W58 HydrophobicContact CB-CD2 4.5Å; K26-W58 HydrophobicContact CD-CD2 4Å; K26-W58 HydrophobicContact CD-CE3 3.97Å; K26-W58 HydrophobicContact CD-CH2 4.39Å; K26-W58 HydrophobicContact CD-CZ2 4.42Å; K26-W58 HydrophobicContact CD-CZ3 4.17Å; K26-W58 VanDerWaalsContact CE-CZ3 3.5Å; K26-W58 HydrophobicContact CG-CD2 4.22Å; K26-W58 HydrophobicContact CG-CH2 4.31Å; K26-W58 HydrophobicContact CG-CZ2 3.99Å; W43-W58 WeakPolarHBondContact O-CA 3.34Å; W58-D60 HydrophobicContact CH2-CB 3.84Å; W58-D60 HydrophobicContact CZ3-CB 3.82Å; W58-V66 WeakPolarHBondContact O-CA 3.49Å; W58-E67 HydrophobicContact CE3-CB 4.14Å; W58-E67 HydrophobicContact CZ3-CB 4.26Å; W58-E67 HydrophobicContact CZ3-CG 4.2Å; W58-E67 WeakPolarHBondContact CZ3-OE2 3.5Å; W58-E67 PolarHBondContact O-N 3.43Å; W58-E67 VanDerWaalsContact O-N 3.1Å; W58-D68 HydrophobicContact CB-CB 4.16Å; W58-D68 PolarHBondContact N-O 3.18Å; W58-F101 HydrophobicContact CB-CZ 4.2Å; W58-F101 HydrophobicContact CG-CZ 4.45Å
59	I	95.5	Very high	91.7	Very high	27 Å²	27	55.9 Å²	55.9	14%	0.138	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.1	179.8	-45	-173.6	0	0	0	109.8	G42 W43 Y45 R61 F64 L65 V66	G42-I59 CarbonylContact C-O 3.55Å; G42-I59 VanDerWaalsContact CA-O 3.25Å; G42-I59 WeakPolarHBondContact CA-O 3.47Å; W43-I59 PolarHBondContact N-O 3.43Å; W43-I59 PolarHBondContact O-N 2.98Å; Y45-I59 HydrophobicContact CD1-CD1 3.78Å; Y45-I59 HydrophobicContact CD1-CG1 3.86Å; Y45-I59 HydrophobicContact CE1-CD1 3.47Å; Y45-I59 VanDerWaalsContact CE1-CD1 3.47Å; Y45-I59 HydrophobicContact CE1-CG1 3.56Å; I59-R61 PolarHBondContact O-N 3.48Å; I59-F64 VanDerWaalsContact CG2-C 3.48Å; I59-L65 WeakPolarHBondContact CA-O 3.28Å; I59-L65 WeakPolarHBondContact CG2-O 3.48Å; I59-V66 HydrophobicContact CD1-CG2 4.35Å; I59-V66 HydrophobicContact CG1-CG2 4.14Å
60	D	95.5	Very high	92	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.1	164	-179.8	-5.5	0	0	0	109.7	R40 W58 K62 T63 F64 L65	R40-D60 WeakPolarHBondContact CD-OD2 3.39Å; R40-D60 IonicContact CZ-OD2 3.05Å; R40-D60 IonicContact NE-OD2 2.73Å; R40-D60 IonicContact NH1-OD2 2.72Å; R40-D60 PolarHBondContact NH1-OD2 3.15Å; W58-D60 HydrophobicContact CH2-CB 3.84Å; W58-D60 HydrophobicContact CZ3-CB 3.82Å; D60-K62 PolarHBondContact O-N 3Å; D60-K62 WeakPolarHBondContact OD1-CB 3.31Å; D60-K62 PolarHBondContact OD1-N 3.31Å; D60-T63 PolarHBondContact O-N 3.38Å; D60-F64 WeakPolarHBondContact O-CA 3.24Å; D60-F64 PolarHBondContact O-N 2.91Å; D60-L65 PolarHBondContact N-O 2.77Å
61	R	92.4	Very high	92.4	Very high	89 Å²	89	56.5 Å²	56.5	34%	0.336	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7	-179	-59.8	165.9	58.8	-168.3	-7.6	114	K41 W43 I59 F64	K41-R61 WeakPolarHBondContact O-CB 3.35Å; K41-R61 WeakPolarHBondContact O-CD 3.49Å; K41-R61 WeakPolarHBondContact O-CG 3.37Å; K41-R61 PolarHBondContact O-N 2.71Å; W43-R61 HydrophobicContact CD2-CG 4.38Å; W43-R61 HydrophobicContact CG-CG 3.94Å; I59-R61 PolarHBondContact O-N 3.48Å; R61-F64 WeakPolarHBondContact O-CZ 3.49Å
62	K	92.8	Very high	92.7	Very high	164 Å²	164	52.8 Å²	52.8	71%	0.713	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-46.5	171.9	-68.4	-176.9	174.9	-176.6	0	111.8	D60	D60-K62 PolarHBondContact O-N 3Å; D60-K62 WeakPolarHBondContact OD1-CB 3.31Å; D60-K62 PolarHBondContact OD1-N 3.31Å
63	T	92.8	Very high	92.8	Very high	70 Å²	70	54.7 Å²	54.7	43%	0.429	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-20.1	-173.5	63.1	0	0	0	0	112.9	D60 L65	D60-T63 PolarHBondContact O-N 3.38Å; T63-L65 PolarHBondContact O-N 2.97Å; T63-L65 PolarHBondContact OG1-N 3.45Å
64	F	90.7	Very high	92.7	Very high	148 Å²	148	53.5 Å²	53.5	65%	0.649	27%	0.271	S	S	*	.			trans	58.4	19.6	-169.9	-58.8	-87.1	0	0	0	114.2	I59 D60 R61	I59-F64 VanDerWaalsContact CG2-C 3.48Å; D60-F64 WeakPolarHBondContact O-CA 3.24Å; D60-F64 PolarHBondContact O-N 2.91Å; R61-F64 WeakPolarHBondContact O-CZ 3.49Å
65	L	91.6	Very high	92.3	Very high	111 Å²	111	61.2 Å²	61.2	58%	0.581	30%	0.304	S	S	*	.			trans	-87.8	136.8	175.3	-60.2	177.7	0	0	0	110.8	I59 D60 T63 E67	I59-L65 WeakPolarHBondContact CA-O 3.28Å; I59-L65 WeakPolarHBondContact CG2-O 3.48Å; D60-L65 PolarHBondContact N-O 2.77Å; T63-L65 PolarHBondContact O-N 2.97Å; T63-L65 PolarHBondContact OG1-N 3.45Å; L65-E67 PolarHBondContact O-N 2.91Å
66	V	93.5	Very high	92.1	Very high	66 Å²	66	65.3 Å²	65.3	40%	0.4	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	106.6	169.7	-170.5	0	0	0	0	107.6	Y45 C57 W58 I59 D68 N69	Y45-V66 HydrophobicContact CE1-CG2 4.45Å; C57-V66 HydrophobicContact CB-CG1 4.04Å; W58-V66 WeakPolarHBondContact O-CA 3.49Å; I59-V66 HydrophobicContact CD1-CG2 4.35Å; I59-V66 HydrophobicContact CG1-CG2 4.14Å; V66-D68 WeakPolarHBondContact CG1-O 3.26Å; V66-N69 HydrophobicContact CG1-CB 4.35Å
67	E	93	Very high	92	Very high	82 Å²	82	66 Å²	66	38%	0.383	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-35	179.5	-65.5	-174.2	-178.4	0	0	112.1	K26 R40 W58 L65	K26-E67 WeakPolarHBondContact CE-OE2 3.41Å; K26-E67 IonicContact NZ-OE2 3.31Å; K26-E67 PolarHBondContact NZ-OE2 2.91Å; R40-E67 IonicContact CZ-OE1 2.73Å; R40-E67 IonicContact CZ-OE2 3.77Å; R40-E67 IonicContact NH1-OE1 2.99Å; R40-E67 PolarHBondContact NH1-OE1 3.06Å; R40-E67 IonicContact NH1-OE2 2.67Å; R40-E67 IonicContact NH2-OE1 3.59Å; R40-E67 PolarHBondContact NH2-OE1 2.89Å; R40-E67 IonicContact NH2-OE2 2.71Å; R40-E67 PolarHBondContact NH2-OE2 2.75Å; W58-E67 HydrophobicContact CE3-CB 4.14Å; W58-E67 HydrophobicContact CZ3-CB 4.26Å; W58-E67 HydrophobicContact CZ3-CG 4.2Å; W58-E67 WeakPolarHBondContact CZ3-OE2 3.5Å; W58-E67 PolarHBondContact O-N 3.43Å; W58-E67 VanDerWaalsContact O-N 3.1Å; L65-E67 PolarHBondContact O-N 2.91Å
68	D	93.5	Very high	91.8	Very high	32 Å²	32	70.3 Å²	70.3	17%	0.171	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.6	179.6	-63	-93.7	0	0	0	110	K26 C57 W58 V66 F70 F101	K26-D68 WeakPolarHBondContact CD-OD2 3.38Å; K26-D68 IonicContact NZ-OD2 3.31Å; K26-D68 PolarHBondContact NZ-OD2 3.45Å; C57-D68 CarbonylContact C-O 3.56Å; C57-D68 VanDerWaalsContact CA-O 3.25Å; C57-D68 WeakPolarHBondContact CA-O 3.46Å; W58-D68 HydrophobicContact CB-CB 4.16Å; W58-D68 PolarHBondContact N-O 3.18Å; V66-D68 WeakPolarHBondContact CG1-O 3.26Å; D68-F70 HydrophobicContact CB-CD2 4.29Å; D68-F70 HydrophobicContact CB-CE2 3.7Å; D68-F70 HydrophobicContact CB-CZ 4.46Å; D68-F101 HydrophobicContact CB-CE2 4.3Å; D68-F101 HydrophobicContact CB-CZ 4.23Å
69	N	94.2	Very high	91.7	Very high	82 Å²	82	70.3 Å²	70.3	44%	0.439	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	109.1	173.5	-175.4	-14.2	0	0	0	109.1	H55 C57 V66	H55-N69 PolarHBondContact ND1-OD1 3.02Å; C57-N69 PolarHBondContact SG-OD1 3.31Å; V66-N69 HydrophobicContact CG1-CB 4.35Å
70	F	93	Very high	91.7	Very high	16 Å²	16	72.7 Å²	72.7	7%	0.07	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.8	-179.3	-63.4	-91.6	0	0	0	110.4	H55 F56 D68 I72 F95 K99 F101	H55-F70 WeakPolarHBondContact CA-O 3.24Å; F56-F70 HydrophobicContact CB-CB 4.4Å; F56-F70 HydrophobicContact CD1-CD2 4.22Å; F56-F70 PolarHBondContact N-O 2.87Å; F56-F70 PolarHBondContact O-N 3.29Å; D68-F70 HydrophobicContact CB-CD2 4.29Å; D68-F70 HydrophobicContact CB-CE2 3.7Å; D68-F70 HydrophobicContact CB-CZ 4.46Å; F70-I72 PolarHBondContact O-N 3.11Å; F70-F95 HydrophobicContact CB-CE1 4.13Å; F70-F95 HydrophobicContact CB-CZ 3.73Å; F70-F95 AromaticContact CD1-CE1 3.99Å; F70-F95 HydrophobicContact CD1-CE1 3.99Å; F70-F95 AromaticContact CD1-CE2 3.71Å; F70-F95 HydrophobicContact CD1-CE2 3.71Å; F70-F95 AromaticContact CD1-CZ 3.22Å; F70-F95 HydrophobicContact CD1-CZ 3.22Å; F70-F95 AromaticContact CE1-CE2 3.87Å; F70-F95 HydrophobicContact CE1-CE2 3.87Å; F70-F95 AromaticContact CE1-CZ 3.88Å; F70-F95 HydrophobicContact CE1-CZ 3.88Å; F70-F95 HydrophobicContact CG-CE1 4.4Å; F70-F95 HydrophobicContact CG-CE2 4.37Å; F70-F95 AromaticContact CG-CZ 3.61Å; F70-F95 HydrophobicContact CG-CZ 3.61Å; F70-K99 HydrophobicContact CE1-CD 3.91Å; F70-F101 HydrophobicContact CE1-CB 4.34Å; F70-F101 HydrophobicContact CE2-CB 4.2Å; F70-F101 AromaticContact CE2-CD1 3.8Å; F70-F101 HydrophobicContact CE2-CD1 3.8Å; F70-F101 AromaticContact CE2-CD2 3.66Å; F70-F101 HydrophobicContact CE2-CD2 3.66Å; F70-F101 AromaticContact CE2-CE1 3.99Å; F70-F101 HydrophobicContact CE2-CE1 3.99Å; F70-F101 AromaticContact CE2-CE2 3.84Å; F70-F101 HydrophobicContact CE2-CE2 3.84Å; F70-F101 AromaticContact CE2-CG 3.62Å; F70-F101 HydrophobicContact CE2-CG 3.62Å; F70-F101 HydrophobicContact CE2-CZ 4Å; F70-F101 HydrophobicContact CZ-CB 3.77Å; F70-F101 HydrophobicContact CZ-CD1 4.22Å; F70-F101 AromaticContact CZ-CD2 3.44Å; F70-F101 HydrophobicContact CZ-CD2 3.44Å; F70-F101 VanDerWaalsContact CZ-CD2 3.44Å; F70-F101 AromaticContact CZ-CE2 3.99Å; F70-F101 HydrophobicContact CZ-CE2 3.99Å; F70-F101 AromaticContact CZ-CG 3.55Å; F70-F101 HydrophobicContact CZ-CG 3.55Å
71	I	92.1	Very high	91.6	Very high	92 Å²	92	78 Å²	78	47%	0.472	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.4	170.9	-50.5	-173.4	0	0	0	108.2	K53	K53-I71 HydrophobicContact CB-CG2 3.87Å; K53-I71 HydrophobicContact CD-CG2 3.43Å; K53-I71 VanDerWaalsContact CD-CG2 3.43Å; K53-I71 HydrophobicContact CG-CG2 4.28Å
72	I	90.7	Very high	91.6	Very high	4 Å²	4	75.7 Å²	75.7	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.9	178.6	-54.5	173.1	0	0	0	109	L54 F56 F70 A77 L93 F95 I124	L54-I72 HydrophobicContact CB-CB 4.37Å; L54-I72 PolarHBondContact N-O 3.45Å; L54-I72 PolarHBondContact O-N 2.79Å; F56-I72 HydrophobicContact CB-CD1 3.61Å; F56-I72 HydrophobicContact CB-CG1 4.36Å; F56-I72 HydrophobicContact CD2-CD1 4.46Å; F56-I72 HydrophobicContact CG-CD1 4.3Å; F70-I72 PolarHBondContact O-N 3.11Å; I72-A77 HydrophobicContact CG2-CB 3.83Å; I72-L93 HydrophobicContact CD1-CD1 4.15Å; I72-L93 HydrophobicContact CD1-CD2 4.11Å; I72-F95 HydrophobicContact CG1-CE1 4.01Å; I72-I124 HydrophobicContact CD1-CD1 4.04Å; I72-I124 HydrophobicContact CD1-CG1 4.23Å; I72-I124 HydrophobicContact CG2-CB 4.49Å; I72-I124 HydrophobicContact CG2-CG1 4.06Å; I72-I124 HydrophobicContact CG2-CG2 3.75Å
73	N	87	Confident	91.5	Very high	63 Å²	63	72.9 Å²	72.9	34%	0.337	38%	0.376	S	S	.	.			trans	-78.6	151.7	166.1	-55.1	-55.7	0	0	0	109.9	K75 Q76	N73-K75 PolarHBondContact O-N 3.19Å; N73-Q76 HydrophobicContact CB-CB 4.32Å; N73-Q76 HydrophobicContact CB-CG 4.02Å; N73-Q76 PolarHBondContact ND2-OE1 3.21Å; N73-Q76 WeakPolarHBondContact O-CB 3.44Å; N73-Q76 PolarHBondContact O-N 3.42Å; N73-Q76 VanDerWaalsContact O-N 3.12Å
74	A	86.2	Confident	91.4	Very high	53 Å²	53	77.6 Å²	77.6	44%	0.438	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	132.5	-180	0	0	0	0	0	111.9	Q76 I124 P127	A74-Q76 PolarHBondContact O-N 3.28Å; A74-I124 CarbonylContact C-O 3.49Å; A74-I124 WeakPolarHBondContact CA-O 3.32Å; A74-P127 HydrophobicContact CB-CG 4.19Å
75	K	84.6	Confident	91.1	Very high	166 Å²	166	72.1 Å²	72.1	72%	0.722	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	18.6	179.3	-49.1	173.2	-174.7	174.8	0	115.3	N73 I124	N73-K75 PolarHBondContact O-N 3.19Å; K75-I124 PolarHBondContact N-O 2.76Å
76	Q	88.4	Confident	90.6	Very high	101 Å²	101	73.1 Å²	73.1	47%	0.472	38%	0.383	S	S	.	.	S	Bend	trans	-103.1	-1.8	176.4	-66.5	-167.5	-7.2	0	0	115.1	N73 A74 K96	N73-Q76 HydrophobicContact CB-CB 4.32Å; N73-Q76 HydrophobicContact CB-CG 4.02Å; N73-Q76 PolarHBondContact ND2-OE1 3.21Å; N73-Q76 WeakPolarHBondContact O-CB 3.44Å; N73-Q76 PolarHBondContact O-N 3.42Å; N73-Q76 VanDerWaalsContact O-N 3.12Å; A74-Q76 PolarHBondContact O-N 3.28Å; Q76-K96 WeakPolarHBondContact O-CB 3.24Å; Q76-K96 PolarHBondContact O-N 3.08Å
77	A	91.6	Very high	90	Very high	15 Å²	15	76.6 Å²	76.6	12%	0.124	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	165.2	170.8	0	0	0	0	0	110.9	I72 L93 K94 F95 I124	I72-A77 HydrophobicContact CG2-CB 3.83Å; A77-L93 HydrophobicContact CB-CD1 4.1Å; A77-K94 CarbonylContact C-O 3.51Å; A77-K94 WeakPolarHBondContact CA-O 3.36Å; A77-F95 HydrophobicContact CB-CD1 4.11Å; A77-F95 HydrophobicContact CB-CE1 4.42Å; A77-I124 HydrophobicContact CB-CD1 4.44Å; A77-I124 HydrophobicContact CB-CG2 4.35Å; A77-I124 WeakPolarHBondContact O-CG2 3.38Å
78	E	92.5	Very high	89.5	Confident	92 Å²	92	74.2 Å²	74.2	43%	0.43	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.3	172.8	-164.7	-174.5	164.8	0	0	108.7	Q80 K94	E78-Q80 HydrophobicContact CG-CG 4.04Å; E78-Q80 PolarHBondContact OE1-NE2 3.45Å; E78-Q80 PolarHBondContact OE2-NE2 3.08Å; E78-K94 PolarHBondContact N-O 3.46Å; E78-K94 PolarHBondContact O-N 3.45Å
79	F	94.7	Very high	89.4	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.1	179.2	-176.6	-99.6	0	0	0	109.5	Y91 L92 L93 I103 M105 C117 I120 N121	F79-Y91 HydrophobicContact CD1-CD1 4.15Å; F79-Y91 AromaticContact CE1-CD1 3.39Å; F79-Y91 HydrophobicContact CE1-CD1 3.39Å; F79-Y91 HydrophobicContact CE1-CE1 4.11Å; F79-Y91 AromaticContact CE1-CG 3.94Å; F79-Y91 HydrophobicContact CE1-CG 3.94Å; F79-Y91 AromaticContact CZ-CD1 3.69Å; F79-Y91 HydrophobicContact CZ-CD1 3.69Å; F79-Y91 AromaticContact CZ-CG 3.72Å; F79-Y91 HydrophobicContact CZ-CG 3.72Å; F79-L92 WeakPolarHBondContact CA-O 3.26Å; F79-L93 HydrophobicContact CB-CD1 4.22Å; F79-L93 HydrophobicContact CD2-CB 4.09Å; F79-L93 HydrophobicContact CD2-CD1 4.29Å; F79-I103 HydrophobicContact CE2-CD1 3.68Å; F79-I103 HydrophobicContact CE2-CG1 4.04Å; F79-I103 HydrophobicContact CZ-CD1 3.82Å; F79-I103 HydrophobicContact CZ-CG1 4.28Å; F79-M105 HydrophobicContact CE1-CE 4.27Å; F79-M105 HydrophobicContact CZ-CE 4.01Å; F79-C117 HydrophobicContact CD1-CB 4.11Å; F79-C117 HydrophobicContact CE1-CB 4.09Å; F79-C117 PolarHBondContact O-SG 3.12Å; F79-I120 HydrophobicContact CB-CB 4.29Å; F79-I120 HydrophobicContact CB-CG2 3.56Å; F79-I120 HydrophobicContact CD1-CB 4.16Å; F79-I120 HydrophobicContact CD1-CD1 3.72Å; F79-I120 HydrophobicContact CD1-CG2 4.19Å; F79-I120 HydrophobicContact CD2-CD1 4.41Å; F79-I120 HydrophobicContact CD2-CG2 4.39Å; F79-I120 HydrophobicContact CE1-CD1 3.6Å; F79-I120 HydrophobicContact CE2-CD1 4.31Å; F79-I120 HydrophobicContact CG-CB 4.29Å; F79-I120 HydrophobicContact CG-CD1 4.12Å; F79-I120 HydrophobicContact CG-CG2 3.81Å; F79-I120 HydrophobicContact CZ-CD1 3.91Å; F79-N121 PolarHBondContact N-OD1 3.29Å; F79-N121 PolarHBondContact O-ND2 3.15Å; F79-N121 PolarHBondContact O-OD1 3.3Å
80	Q	93.6	Very high	89.4	Confident	76 Å²	76	73 Å²	73	36%	0.355	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.3	-172.5	-65.8	-174.9	-24.4	0	0	111.4	E78 Y91 L92	E78-Q80 HydrophobicContact CG-CG 4.04Å; E78-Q80 PolarHBondContact OE1-NE2 3.45Å; E78-Q80 PolarHBondContact OE2-NE2 3.08Å; Q80-Y91 CarbonylContact O-C 3.5Å; Q80-Y91 VanDerWaalsContact O-CA 3.26Å; Q80-Y91 WeakPolarHBondContact O-CA 3.41Å; Q80-L92 PolarHBondContact N-O 3.49Å; Q80-L92 PolarHBondContact O-N 2.81Å
81	K	93.8	Very high	89.5	Confident	117 Å²	117	72.9 Å²	72.9	51%	0.509	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.1	164.9	-171.9	-177.3	174.4	-173.7	0	109.2	P83 Y91	K81-P83 WeakPolarHBondContact O-CD 3.39Å; K81-Y91 HydrophobicContact CB-CD1 3.9Å; K81-Y91 HydrophobicContact CB-CE1 3.54Å; K81-Y91 HydrophobicContact CB-CE2 4.49Å; K81-Y91 HydrophobicContact CG-CD1 4.46Å; K81-Y91 HydrophobicContact CG-CE1 4.05Å; K81-Y91 HydrophobicContact CG-CE2 4.1Å
82	I	93.8	Very high	89.6	Confident	39 Å²	39	69.4 Å²	69.4	20%	0.2	37%	0.372	C	S	.	.			trans	-83.7	115.5	170.6	-69.6	165.3	0	0	0	108.8	Q84 C85 V90 L92 F102	I82-Q84 VanDerWaalsContact C-N 3.34Å; I82-Q84 HydrophobicContact CG2-CB 4.19Å; I82-C85 HydrophobicContact CG2-CB 4.38Å; I82-V90 HydrophobicContact CD1-CG1 4.03Å; I82-V90 PolarHBondContact N-O 2.79Å; I82-L92 HydrophobicContact CD1-CB 3.9Å; I82-L92 HydrophobicContact CG1-CB 4.09Å; I82-F102 HydrophobicContact CD1-CD1 3.59Å; I82-F102 HydrophobicContact CD1-CE1 3.74Å
83	P	90.4	Very high	89.8	Confident	106 Å²	106	69.2 Å²	69.2	69%	0.688	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.5	-178.9	30.7	-35.3	0	0	0	113	K81 C85	K81-P83 WeakPolarHBondContact O-CD 3.39Å; P83-C85 VanDerWaalsContact C-N 3.27Å; P83-C85 PolarHBondContact O-N 3.13Å
84	Q	89.6	Confident	90.1	Very high	169 Å²	169	70.8 Å²	70.8	79%	0.79	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.9	-178.3	-54.4	-62.3	8.3	0	0	113.4	I82 T86	I82-Q84 VanDerWaalsContact C-N 3.34Å; I82-Q84 HydrophobicContact CG2-CB 4.19Å; Q84-T86 PolarHBondContact O-N 2.86Å
85	C	85.3	Confident	90.3	Very high	33 Å²	33	69.9 Å²	69.9	22%	0.223	36%	0.361	C	S	.	.			trans	-84.2	94.3	173.9	-173	0	0	0	0	109.7	I82 P83 V90	I82-C85 HydrophobicContact CG2-CB 4.38Å; P83-C85 VanDerWaalsContact C-N 3.27Å; P83-C85 PolarHBondContact O-N 3.13Å; C85-V90 HydrophobicContact CB-CB 4.07Å; C85-V90 HydrophobicContact CB-CG2 4.02Å; C85-V90 WeakPolarHBondContact SG-CG2 3.35Å
86	T	80.9	Confident	90.4	Very high	132 Å²	132	70.9 Å²	70.9	81%	0.81	37%	0.366	S	S	*	.	S	Bend	trans	-80.9	-26.7	176.7	53.4	0	0	0	0	112.9	Q84	Q84-T86 PolarHBondContact O-N 2.86Å
87	T	80.4	Confident	90.1	Very high	139 Å²	139	68 Å²	68	85%	0.853	36%	0.363	S	S	*	.	S	Bend	trans	-82.5	-9.8	-177.2	51.9	0	0	0	0	114.2
88	G	81.9	Confident	89.6	Confident	32 Å²	32	73.8 Å²	73.8	33%	0.33	40%	0.399	S	S	.	.	S	Bend	trans	-154.1	-176.4	-170.3	0	0	0	0	0	114.4
89	R	91.7	Very high	89.2	Confident	77 Å²	77	75.3 Å²	75.3	29%	0.291	41%	0.405	S	S	.	.			trans	-116.8	69.8	-179.5	-65.1	178.3	-60.9	136.7	-6	109.3	W104 M105 E107 G110 D113	R89-W104 WeakPolarHBondContact O-CA 3.32Å; R89-M105 HydrophobicContact CB-CB 3.98Å; R89-M105 HydrophobicContact CB-CG 4.32Å; R89-M105 PolarHBondContact NH2-O 2.82Å; R89-M105 VanDerWaalsContact NH2-O 3.08Å; R89-M105 PolarHBondContact O-N 3.37Å; R89-E107 PolarHBondContact NH1-O 3.34Å; R89-E107 PolarHBondContact NH2-O 3.18Å; R89-G110 VanDerWaalsContact NH1-CA 3.33Å; R89-D113 VanDerWaalsContact CD-OD2 3.32Å; R89-D113 WeakPolarHBondContact CD-OD2 3.14Å; R89-D113 IonicContact CZ-OD2 3.62Å; R89-D113 IonicContact NE-OD2 3.41Å; R89-D113 IonicContact NH1-OD1 3.29Å; R89-D113 PolarHBondContact NH1-OD1 2.67Å; R89-D113 IonicContact NH1-OD2 2.74Å; R89-D113 PolarHBondContact NH1-OD2 3.27Å
90	V	95.1	Very high	89	Confident	11 Å²	11	78.9 Å²	78.9	7%	0.067	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.5	-172.4	-171.3	0	0	0	0	110.7	M27 I82 C85 I103 W104	M27-V90 HydrophobicContact CE-CG1 3.89Å; M27-V90 HydrophobicContact CE-CG2 3.71Å; M27-V90 HydrophobicContact SD-CG1 3.82Å; I82-V90 HydrophobicContact CD1-CG1 4.03Å; I82-V90 PolarHBondContact N-O 2.79Å; C85-V90 HydrophobicContact CB-CB 4.07Å; C85-V90 HydrophobicContact CB-CG2 4.02Å; C85-V90 WeakPolarHBondContact SG-CG2 3.35Å; V90-I103 WeakPolarHBondContact CA-O 3.46Å; V90-I103 WeakPolarHBondContact CG1-O 3.5Å; V90-W104 HydrophobicContact CG2-CB 4.2Å
91	Y	95.1	Very high	89	Confident	13 Å²	13	75.8 Å²	75.8	5%	0.051	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.7	-179.5	-73.3	-105.7	0	0	0	109.8	F79 Q80 K81 I103 M105 D113 C117	F79-Y91 HydrophobicContact CD1-CD1 4.15Å; F79-Y91 AromaticContact CE1-CD1 3.39Å; F79-Y91 HydrophobicContact CE1-CD1 3.39Å; F79-Y91 HydrophobicContact CE1-CE1 4.11Å; F79-Y91 AromaticContact CE1-CG 3.94Å; F79-Y91 HydrophobicContact CE1-CG 3.94Å; F79-Y91 AromaticContact CZ-CD1 3.69Å; F79-Y91 HydrophobicContact CZ-CD1 3.69Å; F79-Y91 AromaticContact CZ-CG 3.72Å; F79-Y91 HydrophobicContact CZ-CG 3.72Å; Q80-Y91 CarbonylContact O-C 3.5Å; Q80-Y91 VanDerWaalsContact O-CA 3.26Å; Q80-Y91 WeakPolarHBondContact O-CA 3.41Å; K81-Y91 HydrophobicContact CB-CD1 3.9Å; K81-Y91 HydrophobicContact CB-CE1 3.54Å; K81-Y91 HydrophobicContact CB-CE2 4.49Å; K81-Y91 HydrophobicContact CG-CD1 4.46Å; K81-Y91 HydrophobicContact CG-CE1 4.05Å; K81-Y91 HydrophobicContact CG-CE2 4.1Å; Y91-I103 PolarHBondContact N-O 3.49Å; Y91-I103 PolarHBondContact O-N 3.4Å; Y91-M105 HydrophobicContact CD1-CE 4.28Å; Y91-M105 HydrophobicContact CD2-CE 3.57Å; Y91-M105 HydrophobicContact CD2-CG 3.85Å; Y91-M105 HydrophobicContact CE1-CE 4.38Å; Y91-M105 HydrophobicContact CE2-CE 3.71Å; Y91-M105 HydrophobicContact CE2-CG 3.79Å; Y91-M105 HydrophobicContact CG-CE 3.89Å; Y91-D113 HydrophobicContact CE2-CB 4.24Å; Y91-D113 WeakPolarHBondContact OH-CB 3.16Å; Y91-D113 PolarHBondContact OH-O 3.05Å; Y91-C117 HydrophobicContact CD1-CB 4.4Å; Y91-C117 HydrophobicContact CE1-CB 3.77Å
92	L	94.6	Very high	89.1	Confident	20 Å²	20	71.9 Å²	71.9	11%	0.105	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.1	179.4	167.6	60.1	0	0	0	109.4	F79 Q80 I82 K94 H100 F102	F79-L92 WeakPolarHBondContact CA-O 3.26Å; Q80-L92 PolarHBondContact N-O 3.49Å; Q80-L92 PolarHBondContact O-N 2.81Å; I82-L92 HydrophobicContact CD1-CB 3.9Å; I82-L92 HydrophobicContact CG1-CB 4.09Å; L92-K94 HydrophobicContact CD2-CB 4.21Å; L92-K94 HydrophobicContact CG-CB 4.07Å; L92-K94 PolarHBondContact O-N 2.81Å; L92-H100 HydrophobicContact CD1-CB 3.73Å; L92-F102 HydrophobicContact CB-CD1 4.35Å; L92-F102 HydrophobicContact CD1-CD1 4.06Å; L92-F102 HydrophobicContact CD1-CE1 3.97Å; L92-F102 HydrophobicContact CD1-CG 4.37Å; L92-F102 HydrophobicContact CD1-CZ 4.2Å; L92-F102 HydrophobicContact CD2-CE1 4.35Å
93	L	94.5	Very high	89.1	Confident	0 Å²	0	70 Å²	70	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	100	159.1	-176.2	63.4	0	0	0	108.2	F56 I72 A77 F79 F95 F101 I124	F56-L93 HydrophobicContact CB-CD2 4.39Å; F56-L93 HydrophobicContact CD1-CD2 3.67Å; F56-L93 HydrophobicContact CD2-CD2 4.05Å; F56-L93 HydrophobicContact CE1-CD2 3.83Å; F56-L93 HydrophobicContact CE2-CD2 4.19Å; F56-L93 HydrophobicContact CG-CD2 3.79Å; F56-L93 HydrophobicContact CZ-CD2 4.08Å; I72-L93 HydrophobicContact CD1-CD1 4.15Å; I72-L93 HydrophobicContact CD1-CD2 4.11Å; A77-L93 HydrophobicContact CB-CD1 4.1Å; F79-L93 HydrophobicContact CB-CD1 4.22Å; F79-L93 HydrophobicContact CD2-CB 4.09Å; F79-L93 HydrophobicContact CD2-CD1 4.29Å; L93-F95 HydrophobicContact CB-CE2 4.42Å; L93-F95 HydrophobicContact CD2-CE1 4.43Å; L93-F95 HydrophobicContact CD2-CE2 3.72Å; L93-F95 HydrophobicContact CD2-CZ 3.46Å; L93-F95 VanDerWaalsContact CD2-CZ 3.46Å; L93-F95 HydrophobicContact CG-CD2 4.44Å; L93-F95 HydrophobicContact CG-CE2 3.7Å; L93-F95 HydrophobicContact CG-CZ 3.82Å; L93-F101 HydrophobicContact CB-CB 4.33Å; L93-F101 PolarHBondContact N-O 2.97Å; L93-F101 PolarHBondContact O-N 3.38Å; L93-F101 VanDerWaalsContact O-N 3.14Å; L93-I124 HydrophobicContact CD1-CD1 4.1Å
94	K	93	Very high	89.4	Confident	96 Å²	96	68.5 Å²	68.5	42%	0.417	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.1	180	-174.3	176	-176.5	176.1	0	109.2	A77 E78 L92	A77-K94 CarbonylContact C-O 3.51Å; A77-K94 WeakPolarHBondContact CA-O 3.36Å; E78-K94 PolarHBondContact N-O 3.46Å; E78-K94 PolarHBondContact O-N 3.45Å; L92-K94 HydrophobicContact CD2-CB 4.21Å; L92-K94 HydrophobicContact CG-CB 4.07Å; L92-K94 PolarHBondContact O-N 2.81Å
95	F	91.3	Very high	89.6	Confident	33 Å²	33	60.7 Å²	60.7	15%	0.145	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	162	170.2	-62.4	-96.1	0	0	0	110.2	F70 I72 A77 L93 G97 K99 F101	F70-F95 HydrophobicContact CB-CE1 4.13Å; F70-F95 HydrophobicContact CB-CZ 3.73Å; F70-F95 AromaticContact CD1-CE1 3.99Å; F70-F95 HydrophobicContact CD1-CE1 3.99Å; F70-F95 AromaticContact CD1-CE2 3.71Å; F70-F95 HydrophobicContact CD1-CE2 3.71Å; F70-F95 AromaticContact CD1-CZ 3.22Å; F70-F95 HydrophobicContact CD1-CZ 3.22Å; F70-F95 AromaticContact CE1-CE2 3.87Å; F70-F95 HydrophobicContact CE1-CE2 3.87Å; F70-F95 AromaticContact CE1-CZ 3.88Å; F70-F95 HydrophobicContact CE1-CZ 3.88Å; F70-F95 HydrophobicContact CG-CE1 4.4Å; F70-F95 HydrophobicContact CG-CE2 4.37Å; F70-F95 AromaticContact CG-CZ 3.61Å; F70-F95 HydrophobicContact CG-CZ 3.61Å; I72-F95 HydrophobicContact CG1-CE1 4.01Å; A77-F95 HydrophobicContact CB-CD1 4.11Å; A77-F95 HydrophobicContact CB-CE1 4.42Å; L93-F95 HydrophobicContact CB-CE2 4.42Å; L93-F95 HydrophobicContact CD2-CE1 4.43Å; L93-F95 HydrophobicContact CD2-CE2 3.72Å; L93-F95 HydrophobicContact CD2-CZ 3.46Å; L93-F95 VanDerWaalsContact CD2-CZ 3.46Å; L93-F95 HydrophobicContact CG-CD2 4.44Å; L93-F95 HydrophobicContact CG-CE2 3.7Å; L93-F95 HydrophobicContact CG-CZ 3.82Å; F95-G97 PolarHBondContact O-N 2.87Å; F95-K99 WeakPolarHBondContact CD2-O 3.39Å; F95-F101 HydrophobicContact CE2-CB 4.34Å
96	K	86.1	Confident	90.1	Very high	188 Å²	188	60.6 Å²	60.6	82%	0.817	32%	0.32	S	S	*	.	S	Bend	trans	-69.8	-14.1	172.7	-172.1	170.1	178.6	179.8	0	113.6	Q76	Q76-K96 WeakPolarHBondContact O-CB 3.24Å; Q76-K96 PolarHBondContact O-N 3.08Å
97	G	82	Confident	90.6	Very high	41 Å²	41	56.1 Å²	56.1	42%	0.423	29%	0.29	S	S	.	.	S	Bend	trans	-93.7	-173.6	171.5	0	0	0	0	0	113	F95 K99	F95-G97 PolarHBondContact O-N 2.87Å; G97-K99 PolarHBondContact O-N 3.38Å
98	P	82.2	Confident	91.1	Very high	136 Å²	136	54.7 Å²	54.7	88%	0.883	28%	0.283	S	S	*	.	S	Bend	trans	-70.6	-8.6	-178.8	30.3	-36.9	0	0	0	114.2
99	K	84.1	Confident	91.5	Very high	124 Å²	124	58.3 Å²	58.3	54%	0.539	30%	0.295	S	S	.	.			trans	-78.3	130.9	-179.1	-162.9	168.6	-173.5	-173.5	0	110.9	F70 F95 G97	F70-K99 HydrophobicContact CE1-CD 3.91Å; F95-K99 WeakPolarHBondContact CD2-O 3.39Å; G97-K99 PolarHBondContact O-N 3.38Å
100	H	89.6	Confident	91.4	Very high	75 Å²	75	56.5 Å²	56.5	35%	0.347	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.6	174.7	-68.7	-9.8	0	0	0	108.3	L92 F102	L92-H100 HydrophobicContact CD1-CB 3.73Å; H100-F102 HydrophobicContact CB-CE2 3.87Å; H100-F102 HydrophobicContact CB-CZ 4.22Å
101	F	94	Very high	91.1	Very high	10 Å²	10	64.5 Å²	64.5	4%	0.044	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	111.3	176.7	-173.5	-109.5	0	0	0	109.7	K26 F56 W58 D68 F70 L93 F95 I103	K26-F101 HydrophobicContact CB-CE2 4.05Å; K26-F101 HydrophobicContact CB-CZ 3.74Å; K26-F101 HydrophobicContact CD-CE2 4.19Å; K26-F101 HydrophobicContact CD-CZ 4.24Å; F56-F101 HydrophobicContact CE1-CD1 4.02Å; F56-F101 AromaticContact CE1-CE1 3.95Å; F56-F101 HydrophobicContact CE1-CE1 3.95Å; W58-F101 HydrophobicContact CB-CZ 4.2Å; W58-F101 HydrophobicContact CG-CZ 4.45Å; D68-F101 HydrophobicContact CB-CE2 4.3Å; D68-F101 HydrophobicContact CB-CZ 4.23Å; F70-F101 HydrophobicContact CE1-CB 4.34Å; F70-F101 HydrophobicContact CE2-CB 4.2Å; F70-F101 AromaticContact CE2-CD1 3.8Å; F70-F101 HydrophobicContact CE2-CD1 3.8Å; F70-F101 AromaticContact CE2-CD2 3.66Å; F70-F101 HydrophobicContact CE2-CD2 3.66Å; F70-F101 AromaticContact CE2-CE1 3.99Å; F70-F101 HydrophobicContact CE2-CE1 3.99Å; F70-F101 AromaticContact CE2-CE2 3.84Å; F70-F101 HydrophobicContact CE2-CE2 3.84Å; F70-F101 AromaticContact CE2-CG 3.62Å; F70-F101 HydrophobicContact CE2-CG 3.62Å; F70-F101 HydrophobicContact CE2-CZ 4Å; F70-F101 HydrophobicContact CZ-CB 3.77Å; F70-F101 HydrophobicContact CZ-CD1 4.22Å; F70-F101 AromaticContact CZ-CD2 3.44Å; F70-F101 HydrophobicContact CZ-CD2 3.44Å; F70-F101 VanDerWaalsContact CZ-CD2 3.44Å; F70-F101 AromaticContact CZ-CE2 3.99Å; F70-F101 HydrophobicContact CZ-CE2 3.99Å; F70-F101 AromaticContact CZ-CG 3.55Å; F70-F101 HydrophobicContact CZ-CG 3.55Å; L93-F101 HydrophobicContact CB-CB 4.33Å; L93-F101 PolarHBondContact N-O 2.97Å; L93-F101 PolarHBondContact O-N 3.38Å; L93-F101 VanDerWaalsContact O-N 3.14Å; F95-F101 HydrophobicContact CE2-CB 4.34Å; F101-I103 HydrophobicContact CD1-CG2 3.68Å; F101-I103 HydrophobicContact CE1-CG2 3.33Å; F101-I103 HydrophobicContact CZ-CG2 4.14Å
102	F	94.9	Very high	91	Very high	35 Å²	35	68.3 Å²	68.3	15%	0.154	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134	-176.3	-60.7	-91.3	0	0	0	109.7	K26 M27 V35 I82 L92 H100	K26-F102 CarbonylContact C-O 3.52Å; M27-F102 HydrophobicContact CB-CB 3.91Å; M27-F102 HydrophobicContact CG-CB 4.05Å; M27-F102 PolarHBondContact N-O 3.03Å; M27-F102 HydrophobicContact SD-CB 3.85Å; V35-F102 HydrophobicContact CG1-CB 4.41Å; V35-F102 HydrophobicContact CG1-CD2 4.04Å; V35-F102 HydrophobicContact CG1-CE2 4.49Å; V35-F102 HydrophobicContact CG1-CG 4.18Å; V35-F102 HydrophobicContact CG2-CD2 4.39Å; V35-F102 HydrophobicContact CG2-CE2 4.05Å; V35-F102 HydrophobicContact CG2-CZ 4.42Å; I82-F102 HydrophobicContact CD1-CD1 3.59Å; I82-F102 HydrophobicContact CD1-CE1 3.74Å; L92-F102 HydrophobicContact CB-CD1 4.35Å; L92-F102 HydrophobicContact CD1-CD1 4.06Å; L92-F102 HydrophobicContact CD1-CE1 3.97Å; L92-F102 HydrophobicContact CD1-CG 4.37Å; L92-F102 HydrophobicContact CD1-CZ 4.2Å; L92-F102 HydrophobicContact CD2-CE1 4.35Å; H100-F102 HydrophobicContact CB-CE2 3.87Å; H100-F102 HydrophobicContact CB-CZ 4.22Å
103	I	95.5	Very high	90.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156	176.1	69.5	170.3	0	0	0	111.4	F22 A24 G25 V44 F56 F79 V90 Y91 F101	F22-I103 HydrophobicContact CE2-CD1 3.74Å; F22-I103 HydrophobicContact CZ-CD1 3.86Å; A24-I103 HydrophobicContact CB-CB 4.42Å; A24-I103 HydrophobicContact CB-CD1 4.09Å; G25-I103 CarbonylContact O-C 3.57Å; G25-I103 WeakPolarHBondContact O-CA 3.37Å; G25-I103 VanDerWaalsContact O-CB 3.3Å; G25-I103 WeakPolarHBondContact O-CB 3.43Å; V44-I103 HydrophobicContact CG2-CD1 4.07Å; F56-I103 HydrophobicContact CZ-CD1 4.3Å; F79-I103 HydrophobicContact CE2-CD1 3.68Å; F79-I103 HydrophobicContact CE2-CG1 4.04Å; F79-I103 HydrophobicContact CZ-CD1 3.82Å; F79-I103 HydrophobicContact CZ-CG1 4.28Å; V90-I103 WeakPolarHBondContact CA-O 3.46Å; V90-I103 WeakPolarHBondContact CG1-O 3.5Å; Y91-I103 PolarHBondContact N-O 3.49Å; Y91-I103 PolarHBondContact O-N 3.4Å; F101-I103 HydrophobicContact CD1-CG2 3.68Å; F101-I103 HydrophobicContact CE1-CG2 3.33Å; F101-I103 HydrophobicContact CZ-CG2 4.14Å
104	W	95.3	Very high	90.8	Very high	74 Å²	74	71.3 Å²	71.3	28%	0.28	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.1	178.7	60.8	-86.8	0	0	0	111.5	A24 G25 K26 M27 D38 R89 V90 Q106	A24-W104 CarbonylContact C-O 3.49Å; A24-W104 WeakPolarHBondContact CA-O 3.39Å; A24-W104 WeakPolarHBondContact CB-O 3.39Å; G25-W104 PolarHBondContact N-O 2.96Å; G25-W104 PolarHBondContact O-N 3.03Å; K26-W104 PolarHBondContact O-NE1 3.38Å; M27-W104 HydrophobicContact CE-CB 4.25Å; M27-W104 HydrophobicContact CE-CG 4.45Å; D38-W104 WeakPolarHBondContact O-CZ2 3.3Å; D38-W104 PolarHBondContact O-NE1 2.98Å; R89-W104 WeakPolarHBondContact O-CA 3.32Å; V90-W104 HydrophobicContact CG2-CB 4.2Å; W104-Q106 HydrophobicContact CD2-CG 4.31Å; W104-Q106 HydrophobicContact CE3-CG 3.69Å; W104-Q106 HydrophobicContact CH2-CG 3.84Å; W104-Q106 HydrophobicContact CZ2-CG 4.4Å; W104-Q106 HydrophobicContact CZ3-CG 3.44Å; W104-Q106 VanDerWaalsContact CZ3-CG 3.44Å; W104-Q106 PolarHBondContact O-N 2.88Å
105	M	95.3	Very high	90.8	Very high	6 Å²	6	70.9 Å²	70.9	3%	0.03	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124.3	-170.6	-63.9	-63.9	-174.6	0	0	111.9	F22 A24 F79 R89 Y91 D113 I116	F22-M105 HydrophobicContact CD2-CE 4.34Å; F22-M105 HydrophobicContact CD2-SD 3.68Å; F22-M105 HydrophobicContact CE2-CE 3.85Å; F22-M105 HydrophobicContact CE2-SD 3.6Å; A24-M105 HydrophobicContact CB-SD 4.49Å; F79-M105 HydrophobicContact CE1-CE 4.27Å; F79-M105 HydrophobicContact CZ-CE 4.01Å; R89-M105 HydrophobicContact CB-CB 3.98Å; R89-M105 HydrophobicContact CB-CG 4.32Å; R89-M105 PolarHBondContact NH2-O 2.82Å; R89-M105 VanDerWaalsContact NH2-O 3.08Å; R89-M105 PolarHBondContact O-N 3.37Å; Y91-M105 HydrophobicContact CD1-CE 4.28Å; Y91-M105 HydrophobicContact CD2-CE 3.57Å; Y91-M105 HydrophobicContact CD2-CG 3.85Å; Y91-M105 HydrophobicContact CE1-CE 4.38Å; Y91-M105 HydrophobicContact CE2-CE 3.71Å; Y91-M105 HydrophobicContact CE2-CG 3.79Å; Y91-M105 HydrophobicContact CG-CE 3.89Å; M105-D113 HydrophobicContact CG-CB 4.39Å; M105-I116 HydrophobicContact CE-CG2 3.96Å
106	Q	94.5	Very high	91	Very high	31 Å²	31	70 Å²	70	15%	0.145	38%	0.377	C	S	.	.			trans	-108	4.2	179.1	-70.7	179.8	0.3	0	0	113	K23 G25 R40 K41 W104	K23-Q106 HydrophobicContact CB-CB 3.81Å; K23-Q106 WeakPolarHBondContact O-CA 3.16Å; K23-Q106 PolarHBondContact O-N 3.48Å; G25-Q106 VanDerWaalsContact N-CD 3.33Å; R40-Q106 PolarHBondContact O-NE2 3.07Å; K41-Q106 VanDerWaalsContact CA-OE1 3.22Å; W104-Q106 HydrophobicContact CD2-CG 4.31Å; W104-Q106 HydrophobicContact CE3-CG 3.69Å; W104-Q106 HydrophobicContact CH2-CG 3.84Å; W104-Q106 HydrophobicContact CZ2-CG 4.4Å; W104-Q106 HydrophobicContact CZ3-CG 3.44Å; W104-Q106 VanDerWaalsContact CZ3-CG 3.44Å; W104-Q106 PolarHBondContact O-N 2.88Å
107	E	92.8	Very high	91.3	Very high	37 Å²	37	61.9 Å²	61.9	17%	0.173	34%	0.344	C	S	.	.	S	Bend	trans	-67.2	138.1	167	-70.7	-59.1	158.1	0	0	110.5	F22 K23 R89 N109	F22-E107 HydrophobicContact CB-CG 4.45Å; K23-E107 HydrophobicContact CB-CG 4.19Å; K23-E107 WeakPolarHBondContact CB-OE1 3.46Å; K23-E107 WeakPolarHBondContact CD-OE1 3.13Å; K23-E107 WeakPolarHBondContact CG-OE1 3.43Å; K23-E107 PolarHBondContact N-OE1 3.03Å; K23-E107 IonicContact NZ-OE1 2.69Å; K23-E107 PolarHBondContact NZ-OE1 2.85Å; K23-E107 IonicContact NZ-OE2 2.72Å; K23-E107 PolarHBondContact NZ-OE2 3.38Å; K23-E107 PolarHBondContact O-N 3.08Å; R89-E107 PolarHBondContact NH1-O 3.34Å; R89-E107 PolarHBondContact NH2-O 3.18Å; E107-N109 VanDerWaalsContact C-N 3.27Å; E107-N109 PolarHBondContact O-N 3.13Å
108	P	90.6	Very high	91.9	Very high	109 Å²	109	62.8 Å²	62.8	71%	0.708	34%	0.343	S	S	*	.	S	Bend	trans	-67.8	-26.4	-172.8	27.4	-34.8	0	0	0	113.2
109	N	89	Confident	92.4	Very high	108 Å²	108	62.4 Å²	62.4	58%	0.578	33%	0.325	S	S	*	.			trans	-112.2	113.6	-179	-68.6	-14.8	0	0	0	110.3	E107 K111	E107-N109 VanDerWaalsContact C-N 3.27Å; E107-N109 PolarHBondContact O-N 3.13Å; N109-K111 PolarHBondContact O-N 3.4Å; N109-K111 VanDerWaalsContact O-N 3.08Å
110	G	89.3	Confident	92.9	Very high	40 Å²	40	56.6 Å²	56.6	41%	0.412	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-70.8	3.3	177.8	0	0	0	0	0	116.2	R89 N112 D113	R89-G110 VanDerWaalsContact NH1-CA 3.33Å; G110-N112 VanDerWaalsContact C-N 3.3Å; G110-N112 PolarHBondContact O-N 3.33Å; G110-D113 WeakPolarHBondContact CA-OD1 3.32Å; G110-D113 PolarHBondContact O-N 2.69Å
111	K	89.9	Confident	93.1	Very high	179 Å²	179	54.3 Å²	54.3	78%	0.778	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-64.5	-35.8	-179.5	-65.2	-173.7	178.1	-176.4	0	112.1	N109	N109-K111 PolarHBondContact O-N 3.4Å; N109-K111 VanDerWaalsContact O-N 3.08Å
112	N	91.8	Very high	93	Very high	92 Å²	92	57.3 Å²	57.3	49%	0.492	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-85.6	-10.6	-174	-59.8	23.2	0	0	0	112.5	G110 S114 D115 I116	G110-N112 VanDerWaalsContact C-N 3.3Å; G110-N112 PolarHBondContact O-N 3.33Å; N112-S114 PolarHBondContact O-N 3.11Å; N112-D115 PolarHBondContact O-N 3.32Å; N112-I116 HydrophobicContact CB-CD1 4.3Å; N112-I116 WeakPolarHBondContact O-CG1 3.44Å; N112-I116 PolarHBondContact O-N 2.78Å
113	D	93.1	Very high	92.8	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.032	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-30.3	-171.7	-58.6	4.9	0	0	0	111.9	R89 Y91 M105 G110 C117	R89-D113 VanDerWaalsContact CD-OD2 3.32Å; R89-D113 WeakPolarHBondContact CD-OD2 3.14Å; R89-D113 IonicContact CZ-OD2 3.62Å; R89-D113 IonicContact NE-OD2 3.41Å; R89-D113 IonicContact NH1-OD1 3.29Å; R89-D113 PolarHBondContact NH1-OD1 2.67Å; R89-D113 IonicContact NH1-OD2 2.74Å; R89-D113 PolarHBondContact NH1-OD2 3.27Å; Y91-D113 HydrophobicContact CE2-CB 4.24Å; Y91-D113 WeakPolarHBondContact OH-CB 3.16Å; Y91-D113 PolarHBondContact OH-O 3.05Å; M105-D113 HydrophobicContact CG-CB 4.39Å; G110-D113 WeakPolarHBondContact CA-OD1 3.32Å; G110-D113 PolarHBondContact O-N 2.69Å; D113-C117 VanDerWaalsContact O-CB 3.3Å; D113-C117 WeakPolarHBondContact O-CB 3.45Å; D113-C117 PolarHBondContact O-N 2.95Å
114	S	92.2	Very high	92.6	Very high	78 Å²	78	58.2 Å²	58.2	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-71.3	-40.9	173	-162.1	0	0	0	0	112.2	N112 C117 S118	N112-S114 PolarHBondContact O-N 3.11Å; S114-C117 WeakPolarHBondContact O-CB 3.48Å; S114-C117 PolarHBondContact O-N 3.15Å; S114-S118 PolarHBondContact O-N 2.96Å; S114-S118 PolarHBondContact O-OG 3.38Å
115	D	94.1	Very high	92.2	Very high	86 Å²	86	60.9 Å²	60.9	46%	0.46	32%	0.319	S	S	.	.	H	α-helix	trans	-67.8	-39.5	177.8	-61.3	-40.7	0	0	0	111.5	N112 C117 S118 R119	N112-D115 PolarHBondContact O-N 3.32Å; D115-C117 VanDerWaalsContact C-N 3.33Å; D115-S118 PolarHBondContact O-N 3.46Å; D115-R119 WeakPolarHBondContact O-CB 3.32Å; D115-R119 WeakPolarHBondContact O-CG 3.3Å; D115-R119 PolarHBondContact O-N 2.8Å
116	I	94.1	Very high	91.6	Very high	15 Å²	15	65 Å²	65	8%	0.077	35%	0.348	C	S	.	.	H	α-helix	trans	-58	-48.5	171.7	-71.2	164.7	0	0	0	109.4	L20 F22 M105 N112 R119 I120	L20-I116 HydrophobicContact CD2-CG2 4.21Å; F22-I116 HydrophobicContact CB-CD1 3.87Å; F22-I116 HydrophobicContact CD1-CG2 3.8Å; F22-I116 HydrophobicContact CD2-CD1 4.44Å; F22-I116 HydrophobicContact CD2-CG2 4.1Å; F22-I116 HydrophobicContact CE1-CG2 3.74Å; F22-I116 HydrophobicContact CE2-CG2 4.02Å; F22-I116 HydrophobicContact CG-CD1 4.15Å; F22-I116 HydrophobicContact CG-CG2 3.99Å; F22-I116 HydrophobicContact CZ-CG2 3.84Å; M105-I116 HydrophobicContact CE-CG2 3.96Å; N112-I116 HydrophobicContact CB-CD1 4.3Å; N112-I116 WeakPolarHBondContact O-CG1 3.44Å; N112-I116 PolarHBondContact O-N 2.78Å; I116-R119 PolarHBondContact O-N 3.17Å; I116-I120 HydrophobicContact CG2-CD1 3.71Å; I116-I120 WeakPolarHBondContact O-CD1 3.5Å; I116-I120 VanDerWaalsContact O-CG1 3.23Å; I116-I120 WeakPolarHBondContact O-CG1 3.44Å; I116-I120 PolarHBondContact O-N 3.14Å
117	C	93.9	Very high	90.7	Very high	18 Å²	18	65.5 Å²	65.5	12%	0.122	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-47.5	179.4	-167.2	0	0	0	0	112.8	F79 Y91 D113 S114 D115 N121	F79-C117 HydrophobicContact CD1-CB 4.11Å; F79-C117 HydrophobicContact CE1-CB 4.09Å; F79-C117 PolarHBondContact O-SG 3.12Å; Y91-C117 HydrophobicContact CD1-CB 4.4Å; Y91-C117 HydrophobicContact CE1-CB 3.77Å; D113-C117 VanDerWaalsContact O-CB 3.3Å; D113-C117 WeakPolarHBondContact O-CB 3.45Å; D113-C117 PolarHBondContact O-N 2.95Å; S114-C117 WeakPolarHBondContact O-CB 3.48Å; S114-C117 PolarHBondContact O-N 3.15Å; D115-C117 VanDerWaalsContact C-N 3.33Å; C117-N121 PolarHBondContact O-N 2.73Å; C117-N121 PolarHBondContact O-ND2 2.86Å
118	S	94	Very high	89.5	Confident	59 Å²	59	65.9 Å²	65.9	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-51	177	-64.7	0	0	0	0	111.5	S114 D115 I120 N121 D122	S114-S118 PolarHBondContact O-N 2.96Å; S114-S118 PolarHBondContact O-OG 3.38Å; D115-S118 PolarHBondContact O-N 3.46Å; S118-I120 PolarHBondContact O-N 3.12Å; S118-N121 CarbonylContact O-C 3.49Å; S118-N121 WeakPolarHBondContact O-CA 3.49Å; S118-N121 WeakPolarHBondContact O-CB 3.39Å; S118-N121 PolarHBondContact O-N 2.96Å; S118-D122 PolarHBondContact O-N 3.14Å; S118-D122 VanDerWaalsContact O-OD2 3.11Å
119	R	93.4	Very high	88.1	Confident	129 Å²	129	65 Å²	65	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-59.9	-41.9	-178.7	-72	174	-167.9	-162.7	4.9	112.7	L20 D115 I116 N121 D122 Y123	L20-R119 HydrophobicContact CD2-CB 4.23Å; D115-R119 WeakPolarHBondContact O-CB 3.32Å; D115-R119 WeakPolarHBondContact O-CG 3.3Å; D115-R119 PolarHBondContact O-N 2.8Å; I116-R119 PolarHBondContact O-N 3.17Å; R119-N121 VanDerWaalsContact C-N 3.33Å; R119-N121 PolarHBondContact O-N 3.16Å; R119-D122 PolarHBondContact O-N 3.31Å; R119-Y123 HydrophobicContact CB-CE2 4.05Å; R119-Y123 WeakPolarHBondContact O-CD2 3.4Å; R119-Y123 PolarHBondContact O-N 3.37Å
120	I	93.3	Very high	86.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-47.9	174.5	-67.2	161.9	0	0	0	109.8	L20 F22 F56 F79 I116 S118 D122 Y123 I124	L20-I120 HydrophobicContact CD2-CD1 4.22Å; L20-I120 HydrophobicContact CD2-CG1 3.67Å; F22-I120 HydrophobicContact CE1-CD1 3.77Å; F22-I120 HydrophobicContact CZ-CD1 3.84Å; F56-I120 HydrophobicContact CE2-CD1 4.39Å; F56-I120 HydrophobicContact CE2-CG2 4.47Å; F79-I120 HydrophobicContact CB-CB 4.29Å; F79-I120 HydrophobicContact CB-CG2 3.56Å; F79-I120 HydrophobicContact CD1-CB 4.16Å; F79-I120 HydrophobicContact CD1-CD1 3.72Å; F79-I120 HydrophobicContact CD1-CG2 4.19Å; F79-I120 HydrophobicContact CD2-CD1 4.41Å; F79-I120 HydrophobicContact CD2-CG2 4.39Å; F79-I120 HydrophobicContact CE1-CD1 3.6Å; F79-I120 HydrophobicContact CE2-CD1 4.31Å; F79-I120 HydrophobicContact CG-CB 4.29Å; F79-I120 HydrophobicContact CG-CD1 4.12Å; F79-I120 HydrophobicContact CG-CG2 3.81Å; F79-I120 HydrophobicContact CZ-CD1 3.91Å; I116-I120 HydrophobicContact CG2-CD1 3.71Å; I116-I120 WeakPolarHBondContact O-CD1 3.5Å; I116-I120 VanDerWaalsContact O-CG1 3.23Å; I116-I120 WeakPolarHBondContact O-CG1 3.44Å; I116-I120 PolarHBondContact O-N 3.14Å; S118-I120 PolarHBondContact O-N 3.12Å; I120-D122 VanDerWaalsContact C-N 3.32Å; I120-D122 PolarHBondContact O-N 3.37Å; I120-Y123 PolarHBondContact O-N 2.93Å; I120-I124 HydrophobicContact CG2-CD1 3.63Å; I120-I124 HydrophobicContact CG2-CG1 4.43Å; I120-I124 VanDerWaalsContact O-CG1 3.24Å; I120-I124 WeakPolarHBondContact O-CG1 3.34Å; I120-I124 PolarHBondContact O-N 3.41Å
121	N	93.9	Very high	84.1	Confident	27 Å²	27	67.6 Å²	67.6	14%	0.144	37%	0.369	C	S	.	.	H	α-helix	trans	-67.1	-29.1	177.6	-73.3	-34.9	0	0	0	113.7	F79 C117 S118 R119 R125	F79-N121 PolarHBondContact N-OD1 3.29Å; F79-N121 PolarHBondContact O-ND2 3.15Å; F79-N121 PolarHBondContact O-OD1 3.3Å; C117-N121 PolarHBondContact O-N 2.73Å; C117-N121 PolarHBondContact O-ND2 2.86Å; S118-N121 CarbonylContact O-C 3.49Å; S118-N121 WeakPolarHBondContact O-CA 3.49Å; S118-N121 WeakPolarHBondContact O-CB 3.39Å; S118-N121 PolarHBondContact O-N 2.96Å; R119-N121 VanDerWaalsContact C-N 3.33Å; R119-N121 PolarHBondContact O-N 3.16Å; N121-R125 WeakPolarHBondContact O-CB 3.31Å; N121-R125 WeakPolarHBondContact O-CG 3.22Å; N121-R125 PolarHBondContact O-N 2.73Å; N121-R125 PolarHBondContact O-NE 2.86Å; N121-R125 PolarHBondContact O-NH2 3.18Å
122	D	92.6	Very high	81.8	Confident	73 Å²	73	64.2 Å²	64.2	39%	0.39	36%	0.363	S	S	.	.	H	α-helix	trans	-65.5	-51.5	171.9	-67.2	-45.3	0	0	0	110	S118 R119 I120 I124 R125 S126	S118-D122 PolarHBondContact O-N 3.14Å; S118-D122 VanDerWaalsContact O-OD2 3.11Å; R119-D122 PolarHBondContact O-N 3.31Å; I120-D122 VanDerWaalsContact C-N 3.32Å; I120-D122 PolarHBondContact O-N 3.37Å; D122-I124 VanDerWaalsContact C-N 3.28Å; D122-I124 PolarHBondContact O-N 2.9Å; D122-R125 PolarHBondContact O-N 3.02Å; D122-R125 IonicContact OD1-CZ 3.46Å; D122-R125 IonicContact OD1-NH1 3.62Å; D122-R125 IonicContact OD1-NH2 2.64Å; D122-R125 PolarHBondContact OD1-NH2 3Å; D122-S126 CarbonylContact O-C 3.51Å; D122-S126 PolarHBondContact O-N 3.25Å
123	Y	90.6	Very high	79.1	Confident	52 Å²	52	65.5 Å²	65.5	20%	0.204	37%	0.374	C	S	.	.	H	α-helix	trans	-62.3	-30.7	177.6	-59.5	-49.7	0	0	0	113.6	L19 L20 R119 I120 S126 P127 P128	L19-Y123 HydrophobicContact CB-CD2 4.38Å; L19-Y123 HydrophobicContact CB-CE1 4.21Å; L19-Y123 HydrophobicContact CB-CE2 3.97Å; L19-Y123 HydrophobicContact CD1-CD1 4.1Å; L19-Y123 HydrophobicContact CD1-CE1 4.35Å; L19-Y123 HydrophobicContact CD1-CG 4.3Å; L19-Y123 PolarHBondContact O-OH 3.1Å; L20-Y123 HydrophobicContact CB-CE2 4.15Å; R119-Y123 HydrophobicContact CB-CE2 4.05Å; R119-Y123 WeakPolarHBondContact O-CD2 3.4Å; R119-Y123 PolarHBondContact O-N 3.37Å; I120-Y123 PolarHBondContact O-N 2.93Å; Y123-S126 CarbonylContact O-C 3.16Å; Y123-P127 WeakPolarHBondContact O-CA 3.36Å; Y123-P127 VanDerWaalsContact O-N 3.08Å; Y123-P128 HydrophobicContact CD1-CG 4.34Å
124	I	90.1	Very high	76.4	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.015	42%	0.415	C	S	.	.	H	α-helix	trans	-79	-33.3	176.9	-61.3	165.9	0	0	0	112	L54 I72 A74 K75 A77 L93 I120 D122	L54-I124 HydrophobicContact CD2-CG1 3.63Å; I72-I124 HydrophobicContact CD1-CD1 4.04Å; I72-I124 HydrophobicContact CD1-CG1 4.23Å; I72-I124 HydrophobicContact CG2-CB 4.49Å; I72-I124 HydrophobicContact CG2-CG1 4.06Å; I72-I124 HydrophobicContact CG2-CG2 3.75Å; A74-I124 CarbonylContact C-O 3.49Å; A74-I124 WeakPolarHBondContact CA-O 3.32Å; K75-I124 PolarHBondContact N-O 2.76Å; A77-I124 HydrophobicContact CB-CD1 4.44Å; A77-I124 HydrophobicContact CB-CG2 4.35Å; A77-I124 WeakPolarHBondContact O-CG2 3.38Å; L93-I124 HydrophobicContact CD1-CD1 4.1Å; I120-I124 HydrophobicContact CG2-CD1 3.63Å; I120-I124 HydrophobicContact CG2-CG1 4.43Å; I120-I124 VanDerWaalsContact O-CG1 3.24Å; I120-I124 WeakPolarHBondContact O-CG1 3.34Å; I120-I124 PolarHBondContact O-N 3.41Å; D122-I124 VanDerWaalsContact C-N 3.28Å; D122-I124 PolarHBondContact O-N 2.9Å
125	R	88.5	Confident	74	Confident	130 Å²	130	74.9 Å²	74.9	49%	0.491	43%	0.427	S	S	.	.	H	α-helix	trans	-76.3	-39.3	175.5	-78.8	175.2	-72.7	134.5	0.4	112.4	N121 D122	N121-R125 WeakPolarHBondContact O-CB 3.31Å; N121-R125 WeakPolarHBondContact O-CG 3.22Å; N121-R125 PolarHBondContact O-N 2.73Å; N121-R125 PolarHBondContact O-NE 2.86Å; N121-R125 PolarHBondContact O-NH2 3.18Å; D122-R125 PolarHBondContact O-N 3.02Å; D122-R125 IonicContact OD1-CZ 3.46Å; D122-R125 IonicContact OD1-NH1 3.62Å; D122-R125 IonicContact OD1-NH2 2.64Å; D122-R125 PolarHBondContact OD1-NH2 3Å
126	S	82	Confident	71.8	Confident	91 Å²	91	74.1 Å²	74.1	64%	0.636	43%	0.428	S	S	*	.	S	Bend	trans	-139.8	83	-176.2	-63.2	0	0	0	0	108.8	D122 Y123	D122-S126 CarbonylContact O-C 3.51Å; D122-S126 PolarHBondContact O-N 3.25Å; Y123-S126 CarbonylContact O-C 3.16Å
127	P	74.8	Confident	69.4	Low	43 Å²	43	79.1 Å²	79.1	28%	0.279	45%	0.454	S	S	.	.			trans	-58.3	148.6	171.1	26.6	-34.8	0	0	0	109.2	A74 Y123 A129	A74-P127 HydrophobicContact CB-CG 4.19Å; Y123-P127 WeakPolarHBondContact O-CA 3.36Å; Y123-P127 VanDerWaalsContact O-N 3.08Å; P127-A129 PolarHBondContact O-N 3.26Å
128	P	69	Low	67.7	Low	45 Å²	45	88.6 Å²	88.6	29%	0.292	49%	0.488	S	S	.	.			trans	-54.9	138.4	179.4	-21	30.6	0	0	0	110.4	L19 Q48 Y123 Q130	L19-P128 HydrophobicContact CD1-CG 3.82Å; L19-P128 HydrophobicContact CD2-CG 3.99Å; Q48-P128 PolarHBondContact NE2-O 2.85Å; Q48-P128 PolarHBondContact OE1-O 2.83Å; Q48-P128 VanDerWaalsContact OE1-O 3.13Å; Y123-P128 HydrophobicContact CD1-CG 4.34Å; P128-Q130 PolarHBondContact O-N 3.2Å; P128-Q130 VanDerWaalsContact O-N 3.09Å
129	A	60.7	Low	65.9	Low	91 Å²	91	91.1 Å²	91.1	75%	0.752	50%	0.496	S	S	*	.			trans	-64.3	115.4	167.4	0	0	0	0	0	107.2	P127 T131	P127-A129 PolarHBondContact O-N 3.26Å; A129-T131 PolarHBondContact O-N 2.79Å
130	Q	53.6	Low	64	Low	75 Å²	75	89 Å²	89	35%	0.35	50%	0.502	S	S	.	.			trans	-61.9	112.3	168.5	-74.9	-161.5	102.4	0	0	107.2	S49 G50 G52 P128 T132	S49-Q130 PolarHBondContact O-OE1 2.66Å; G50-Q130 PolarHBondContact O-NE2 3.34Å; G52-Q130 VanDerWaalsContact N-NE2 3.19Å; P128-Q130 PolarHBondContact O-N 3.2Å; P128-Q130 VanDerWaalsContact O-N 3.09Å; Q130-T132 PolarHBondContact O-N 3.31Å; Q130-T132 PolarHBondContact O-OG1 2.85Å
131	T	40.7	Very low	62.1	Low	127 Å²	127	99.6 Å²	99.6	78%	0.779	54%	0.541	S	S	*	.			trans	-77.3	54.1	175.6	42.9	0	0	0	0	111.1	A129 T133	A129-T131 PolarHBondContact O-N 2.79Å; T131-T133 PolarHBondContact O-N 2.96Å
132	T	41.3	Very low	60	Low	108 Å²	108	103.5 Å²	103.5	66%	0.663	56%	0.557	S	S	*	*			trans	-64.9	81.5	151	47.9	0	0	0	0	107.4	Q130	Q130-T132 PolarHBondContact O-N 3.31Å; Q130-T132 PolarHBondContact O-OG1 2.85Å
133	T	34.5	Very low	58.1	Low	118 Å²	118	108.5 Å²	108.5	72%	0.724	58%	0.578	S	S	*	*			trans	-48.6	143.3	167.6	49.7	0	0	0	0	109.5	T131	T131-T133 PolarHBondContact O-N 2.96Å
134	L	37.3	Very low	56.4	Low	170 Å²	170	109.6 Å²	109.6	89%	0.89	59%	0.593	S	S	*	*	S	Bend	trans	89	49.4	-179.6	-45.7	175.5	0	0	0	118.2
135	S	42.2	Very low	54.8	Low	112 Å²	112	111.4 Å²	111.4	78%	0.783	60%	0.603	S	S	*	*	S	Bend	trans	-176.8	47.1	144.1	59.4	0	0	0	0	117.9
136	S	47	Very low	53.3	Low	69 Å²	69	112.7 Å²	112.7	48%	0.483	62%	0.619	S	S	.	*	S	Bend	trans	-158.4	-54.8	163.3	57.3	0	0	0	0	113.7	W138 L139 S140	S136-W138 PolarHBondContact O-N 2.92Å; S136-L139 WeakPolarHBondContact O-CB 3.15Å; S136-L139 PolarHBondContact O-N 3.49Å; S136-S140 PolarHBondContact O-N 3.07Å
137	D	44.6	Very low	52.2	Low	120 Å²	120	116.6 Å²	116.6	64%	0.642	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	3.7	-157.3	-64.5	-3.1	0	0	0	115.5	S140 R141	D137-S140 WeakPolarHBondContact CA-OG 3.36Å; D137-R141 WeakPolarHBondContact O-CB 3.33Å
138	W	57.6	Low	51.7	Low	218 Å²	218	118.2 Å²	118.2	83%	0.826	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-40.2	162.8	-174.8	3.7	0	0	0	110.6	S136 S140 R141 F142	S136-W138 PolarHBondContact O-N 2.92Å; W138-S140 PolarHBondContact O-N 3.16Å; W138-R141 WeakPolarHBondContact O-CA 3.42Å; W138-R141 WeakPolarHBondContact O-CB 3.17Å; W138-R141 PolarHBondContact O-N 2.9Å; W138-F142 PolarHBondContact O-N 3.28Å
139	L	55.5	Low	51.7	Low	111 Å²	111	119.9 Å²	119.9	58%	0.581	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-67.2	-40.8	-177.1	-54.1	176.6	0	0	0	111.1	S136 R141 F142 L145	S136-L139 WeakPolarHBondContact O-CB 3.15Å; S136-L139 PolarHBondContact O-N 3.49Å; L139-R141 PolarHBondContact O-N 3.16Å; L139-F142 PolarHBondContact O-N 3.31Å; L139-L145 HydrophobicContact CB-CD1 4.2Å; L139-L145 HydrophobicContact CD2-CD1 3.48Å; L139-L145 VanDerWaalsContact CD2-CD1 3.48Å; L139-L145 HydrophobicContact CG-CD1 4.42Å
140	S	54.1	Low	51.5	Low	86 Å²	86	123.5 Å²	123.5	60%	0.601	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-70.1	-16.1	172.8	56.6	0	0	0	0	113.9	S136 D137 W138	S136-S140 PolarHBondContact O-N 3.07Å; D137-S140 WeakPolarHBondContact CA-OG 3.36Å; W138-S140 PolarHBondContact O-N 3.16Å
141	R	53.6	Low	52.2	Low	223 Å²	223	130 Å²	130	84%	0.842	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-84.9	-7.4	175.1	-113.5	179.3	163.6	-141.3	-6.2	114	D137 W138 L139	D137-R141 WeakPolarHBondContact O-CB 3.33Å; W138-R141 WeakPolarHBondContact O-CA 3.42Å; W138-R141 WeakPolarHBondContact O-CB 3.17Å; W138-R141 PolarHBondContact O-N 2.9Å; L139-R141 PolarHBondContact O-N 3.16Å
142	F	49.4	Very low	53.5	Low	108 Å²	108	127.3 Å²	127.3	47%	0.474	65%	0.646	S	S	.	*			trans	-123.2	80.3	175.8	-168.7	-84.9	0	0	0	107.9	W138 L139 S144 L145	W138-F142 PolarHBondContact O-N 3.28Å; L139-F142 PolarHBondContact O-N 3.31Å; F142-S144 VanDerWaalsContact CE1-CB 3.48Å; F142-S144 PolarHBondContact O-N 3.18Å; F142-L145 HydrophobicContact CB-CG 4.35Å; F142-L145 HydrophobicContact CD1-CB 4.09Å; F142-L145 HydrophobicContact CD1-CD2 3.68Å; F142-L145 HydrophobicContact CD1-CG 3.52Å; F142-L145 VanDerWaalsContact CD1-N 3.26Å; F142-L145 HydrophobicContact CE1-CD2 3.82Å; F142-L145 HydrophobicContact CE1-CG 4.16Å; F142-L145 HydrophobicContact CG-CG 4.31Å; F142-L145 PolarHBondContact O-N 3.03Å
143	E	53.9	Low	54.9	Low	179 Å²	179	125.5 Å²	125.5	84%	0.836	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-54.2	-22.9	178.7	-66.1	-179.6	101.6	0	0	112.8	L145 N146	E143-L145 PolarHBondContact O-N 3.42Å; E143-N146 VanDerWaalsContact O-CB 3.29Å; E143-N146 WeakPolarHBondContact O-CB 3.31Å; E143-N146 PolarHBondContact O-N 2.97Å
144	S	53.8	Low	56.6	Low	74 Å²	74	125.8 Å²	125.8	52%	0.517	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-71	-8.6	175.7	-167.1	0	0	0	0	114.4	F142 N146	F142-S144 VanDerWaalsContact CE1-CB 3.48Å; F142-S144 PolarHBondContact O-N 3.18Å; S144-N146 PolarHBondContact O-N 3.07Å
145	L	56.5	Low	58.3	Low	42 Å²	42	120.1 Å²	120.1	22%	0.22	61%	0.605	C	S	.	*	G	3₁₀ helix	trans	-71.1	-19.3	171.4	-77.7	-163.7	0	0	0	111.1	L139 F142 E143 Q147 L148	L139-L145 HydrophobicContact CB-CD1 4.2Å; L139-L145 HydrophobicContact CD2-CD1 3.48Å; L139-L145 VanDerWaalsContact CD2-CD1 3.48Å; L139-L145 HydrophobicContact CG-CD1 4.42Å; F142-L145 HydrophobicContact CB-CG 4.35Å; F142-L145 HydrophobicContact CD1-CB 4.09Å; F142-L145 HydrophobicContact CD1-CD2 3.68Å; F142-L145 HydrophobicContact CD1-CG 3.52Å; F142-L145 VanDerWaalsContact CD1-N 3.26Å; F142-L145 HydrophobicContact CE1-CD2 3.82Å; F142-L145 HydrophobicContact CE1-CG 4.16Å; F142-L145 HydrophobicContact CG-CG 4.31Å; F142-L145 PolarHBondContact O-N 3.03Å; E143-L145 PolarHBondContact O-N 3.42Å; L145-Q147 PolarHBondContact O-N 3.42Å; L145-L148 HydrophobicContact CD2-CD1 3.53Å; L145-L148 WeakPolarHBondContact O-CB 3.34Å; L145-L148 PolarHBondContact O-N 3.31Å
146	N	57.1	Low	59.5	Low	156 Å²	156	120.4 Å²	120.4	83%	0.834	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-70.4	0.9	-173.2	-150.1	25.6	0	0	0	114.1	E143 S144	E143-N146 VanDerWaalsContact O-CB 3.29Å; E143-N146 WeakPolarHBondContact O-CB 3.31Å; E143-N146 PolarHBondContact O-N 2.97Å; S144-N146 PolarHBondContact O-N 3.07Å
147	Q	59.3	Low	60.3	Low	174 Å²	174	123.6 Å²	123.6	81%	0.813	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-100.7	-11.8	169.4	-73.7	-173.2	82.5	0	0	113.9	L145	L145-Q147 PolarHBondContact O-N 3.42Å
148	L	64.9	Low	61.3	Low	77 Å²	77	122.5 Å²	122.5	40%	0.403	61%	0.611	S	S	.	*	S	Bend	trans	-80.4	132.3	180	-74.2	158.9	0	0	0	110.1	L145 D152 I153	L145-L148 HydrophobicContact CD2-CD1 3.53Å; L145-L148 WeakPolarHBondContact O-CB 3.34Å; L145-L148 PolarHBondContact O-N 3.31Å; L148-D152 HydrophobicContact CB-CB 4.19Å; L148-D152 HydrophobicContact CD2-CB 3.61Å; L148-D152 HydrophobicContact CG-CB 4.5Å; L148-I153 HydrophobicContact CB-CG1 4.29Å
149	T	68.2	Low	61.3	Low	80 Å²	80	118.9 Å²	118.9	49%	0.491	61%	0.605	S	S	.	*			trans	-73.7	162.6	179.8	75.5	0	0	0	0	110.3	R151 D152 I153	T149-R151 PolarHBondContact O-N 3.1Å; T149-R151 PolarHBondContact OG1-N 2.73Å; T149-D152 WeakPolarHBondContact CA-OD2 3.34Å; T149-D152 VanDerWaalsContact CB-OD2 3.27Å; T149-D152 WeakPolarHBondContact CB-OD2 3.37Å; T149-D152 PolarHBondContact N-OD2 3.47Å; T149-D152 PolarHBondContact O-N 3.26Å; T149-D152 PolarHBondContact OG1-OD2 3.23Å; T149-I153 PolarHBondContact O-N 3.26Å; T149-I153 VanDerWaalsContact O-N 3.15Å
150	H	56.8	Low	61	Low	167 Å²	167	116.8 Å²	116.8	77%	0.773	61%	0.609	S	S	*	*	H	α-helix	trans	-55.3	-25.3	175.5	-84.1	44.8	0	0	0	113.2	L154	H150-L154 WeakPolarHBondContact O-CB 3.4Å; H150-L154 PolarHBondContact O-N 2.76Å; H150-L154 VanDerWaalsContact O-N 3.16Å
151	R	68.1	Low	60.7	Low	212 Å²	212	118.7 Å²	118.7	80%	0.8	62%	0.617	S	S	*	*	H	α-helix	trans	-73.3	-39	174	-91	-176.7	163.9	164	-4	113.1	T149 L154 A155	T149-R151 PolarHBondContact O-N 3.1Å; T149-R151 PolarHBondContact OG1-N 2.73Å; R151-L154 PolarHBondContact O-N 3.39Å; R151-A155 WeakPolarHBondContact O-CB 3.4Å; R151-A155 PolarHBondContact O-N 2.78Å
152	D	68.8	Low	60.1	Low	70 Å²	70	111.7 Å²	111.7	37%	0.374	62%	0.615	S	S	.	*	H	α-helix	trans	-71.6	-36.1	-178.5	-47.4	-55.1	0	0	0	110.7	L148 T149 A155 L156	L148-D152 HydrophobicContact CB-CB 4.19Å; L148-D152 HydrophobicContact CD2-CB 3.61Å; L148-D152 HydrophobicContact CG-CB 4.5Å; T149-D152 WeakPolarHBondContact CA-OD2 3.34Å; T149-D152 VanDerWaalsContact CB-OD2 3.27Å; T149-D152 WeakPolarHBondContact CB-OD2 3.37Å; T149-D152 PolarHBondContact N-OD2 3.47Å; T149-D152 PolarHBondContact O-N 3.26Å; T149-D152 PolarHBondContact OG1-OD2 3.23Å; D152-A155 PolarHBondContact O-N 3.42Å; D152-L156 WeakPolarHBondContact O-CB 3.43Å; D152-L156 PolarHBondContact O-N 3.08Å
153	I	69.4	Low	59.9	Low	70 Å²	70	114.4 Å²	114.4	36%	0.359	63%	0.633	S	S	.	*	H	α-helix	trans	-63.3	-46.3	170.7	-62.5	172.4	0	0	0	110.3	L148 T149 A155 L156 L157	L148-I153 HydrophobicContact CB-CG1 4.29Å; T149-I153 PolarHBondContact O-N 3.26Å; T149-I153 VanDerWaalsContact O-N 3.15Å; I153-A155 VanDerWaalsContact C-N 3.33Å; I153-A155 PolarHBondContact O-N 2.92Å; I153-L156 PolarHBondContact O-N 3.23Å; I153-L157 HydrophobicContact CG2-CD1 3.88Å; I153-L157 WeakPolarHBondContact O-CD1 3.33Å; I153-L157 PolarHBondContact O-N 3.12Å
154	L	71.2	Confident	59.5	Low	124 Å²	124	109 Å²	109	65%	0.649	63%	0.626	S	S	*	*	H	α-helix	trans	-62.3	-38.4	175.4	-114	162	0	0	0	112.5	H150 R151 S158	H150-L154 WeakPolarHBondContact O-CB 3.4Å; H150-L154 PolarHBondContact O-N 2.76Å; H150-L154 VanDerWaalsContact O-N 3.16Å; R151-L154 PolarHBondContact O-N 3.39Å; L154-S158 WeakPolarHBondContact O-CB 3.14Å; L154-S158 PolarHBondContact O-N 3.1Å
155	A	71.8	Confident	59	Low	50 Å²	50	112 Å²	112	41%	0.413	65%	0.647	S	S	.	*	H	α-helix	trans	-65.5	-42.2	174.7	0	0	0	0	0	111.7	R151 D152 I153 S158 M159	R151-A155 WeakPolarHBondContact O-CB 3.4Å; R151-A155 PolarHBondContact O-N 2.78Å; D152-A155 PolarHBondContact O-N 3.42Å; I153-A155 VanDerWaalsContact C-N 3.33Å; I153-A155 PolarHBondContact O-N 2.92Å; A155-S158 CarbonylContact O-C 3.59Å; A155-S158 PolarHBondContact O-N 3.12Å; A155-M159 WeakPolarHBondContact O-CB 3.15Å; A155-M159 VanDerWaalsContact O-CG 3.27Å; A155-M159 WeakPolarHBondContact O-CG 3.33Å; A155-M159 PolarHBondContact O-N 3Å
156	L	67.5	Low	58.3	Low	119 Å²	119	113.3 Å²	113.3	62%	0.623	67%	0.67	S	S	*	*	H	α-helix	trans	-64.5	-40.1	177.9	-174.8	63	0	0	0	112.3	D152 I153	D152-L156 WeakPolarHBondContact O-CB 3.43Å; D152-L156 PolarHBondContact O-N 3.08Å; I153-L156 PolarHBondContact O-N 3.23Å
157	L	65.1	Low	57.9	Low	136 Å²	136	114.1 Å²	114.1	71%	0.712	67%	0.673	S	S	*	*	H	α-helix	trans	-73.9	-29.9	172.6	-82.5	86.1	0	0	0	112.8	I153	I153-L157 HydrophobicContact CG2-CD1 3.88Å; I153-L157 WeakPolarHBondContact O-CD1 3.33Å; I153-L157 PolarHBondContact O-N 3.12Å
158	S	64.1	Low	57	Low	97 Å²	97	111.5 Å²	111.5	68%	0.678	67%	0.672	S	S	*	*	H	α-helix	trans	-74.8	-25.2	175.9	-174.6	0	0	0	0	113.1	L154 A155 G160	L154-S158 WeakPolarHBondContact O-CB 3.14Å; L154-S158 PolarHBondContact O-N 3.1Å; A155-S158 CarbonylContact O-C 3.59Å; A155-S158 PolarHBondContact O-N 3.12Å; S158-G160 PolarHBondContact O-N 3.31Å
159	M	58.9	Low	56.2	Low	142 Å²	142	113.5 Å²	113.5	70%	0.7	69%	0.692	S	S	*	*			trans	-80.3	47.6	173	-70.7	-67.3	-178.7	0	0	111.1	A155 V161	A155-M159 WeakPolarHBondContact O-CB 3.15Å; A155-M159 VanDerWaalsContact O-CG 3.27Å; A155-M159 WeakPolarHBondContact O-CG 3.33Å; A155-M159 PolarHBondContact O-N 3Å; M159-V161 PolarHBondContact O-N 3.28Å
160	G	47.9	Very low	55.1	Low	66 Å²	66	118.6 Å²	118.6	68%	0.68	71%	0.71	S	S	*	*			trans	-68.9	73.9	-179.9	0	0	0	0	0	112.7	S158 G162	S158-G160 PolarHBondContact O-N 3.31Å; G160-G162 VanDerWaalsContact C-N 3.28Å; G160-G162 PolarHBondContact O-N 3.13Å
161	V	48.2	Very low	54.5	Low	126 Å²	126	116.1 Å²	116.1	76%	0.764	71%	0.712	S	S	*	*			trans	-71.8	79.1	176.3	-73.6	0	0	0	0	111.3	M159 L163	M159-V161 PolarHBondContact O-N 3.28Å; V161-L163 PolarHBondContact O-N 3Å
162	G	40.7	Very low	53.3	Low	77 Å²	77	113 Å²	113	79%	0.794	71%	0.711	S	S	*	*			trans	-66.6	96.4	170.9	0	0	0	0	0	111.5	G160	G160-G162 VanDerWaalsContact C-N 3.28Å; G160-G162 PolarHBondContact O-N 3.13Å
163	L	45.3	Very low	52.8	Low	164 Å²	164	115.8 Å²	115.8	86%	0.859	73%	0.73	S	S	*	*			trans	-122.8	99.7	168.2	-69.8	177.6	0	0	0	109.4	V161	V161-L163 PolarHBondContact O-N 3Å
164	G	45.9	Very low	51.5	Low	66 Å²	66	117.7 Å²	117.7	68%	0.68	75%	0.747	S	S	*	*			trans	-88.1	161.9	165.2	0	0	0	0	0	111.3
165	S	42.4	Very low	50.3	Low	138 Å²	138	117 Å²	117	97%	0.965	75%	0.752	S	S	*	*			trans	71.3	121.5	168.8	-48	0	0	0	0	117.4
166	G	43.3	Very low	49.2	Very low	68 Å²	68	120.7 Å²	120.7	70%	0.701	77%	0.77	S	S	*	*			trans	128.8	93.4	141.8	0	0	0	0	0	119
167	L	47.5	Very low	48.1	Very low	174 Å²	174	124 Å²	124	91%	0.911	78%	0.782	S	S	*	*			trans	67.1	140.4	142	-55.1	173.9	0	0	0	120.6
168	P	41.6	Very low	47	Very low	119 Å²	119	121.5 Å²	121.5	77%	0.773	78%	0.782	S	S	*	*			trans	-104.2	143.6	170.3	37.8	-31	0	0	0	114.1
169	S	47.8	Very low	45.9	Very low	119 Å²	119	124.1 Å²	124.1	83%	0.832	79%	0.793	S	S	*	*			trans	-164.6	114.8	153.2	-71.5	0	0	0	0	105.7
170	E	44.1	Very low	45	Very low	186 Å²	186	121.8 Å²	121.8	87%	0.869	80%	0.797	S	S	*	*				69.8	93.7	70.7	-168.8	174.8	115.2	0	0	112.9
171	S	44.8	Very low	44.8	Very low	116 Å²	116	125.9 Å²	125.9	81%	0.811	81%	0.809	S	S	*	*			trans	179.8	137.3	146.1	-78	0	0	0	0	111.7
172	D	43	Very low	44.5	Very low	146 Å²	146	126.4 Å²	126.4	78%	0.781	81%	0.812	S	S	*	*			trans	-28.5	160.2	161.7	-65.3	-80.4	0	0	0	118.7
173	V	57.4	Low	44.7	Very low	129 Å²	129	130.7 Å²	130.7	78%	0.782	82%	0.815	S	S	*	*			cis	-155.9	170	10.6	-114.8	0	0	0	0	110.5
174	P	42.9	Very low	44.3	Very low	109 Å²	109	125.8 Å²	125.8	71%	0.708	80%	0.804	S	S	*	*			trans	-101.6	172.7	-169.4	39.4	-35.1	0	0	0	116.8
175	S	45.3	Very low	44.1	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	81%	0.81	S	S	*	*			trans	86.8	150.4	175	-34.6	0	0	0	0	114.8
176	T	48.7	Very low	43.8	Very low	129 Å²	129	132.3 Å²	132.3	79%	0.791	79%	0.792	S	S	*	*			cis	-154	150.4	14.6	-26.9	0	0	0	0	112.4
177	Q	45	Very low	44.4	Very low	188 Å²	188	137.2 Å²	137.2	88%	0.879	80%	0.801	S	S	*	*			trans	51.4	128.1	147.4	-164.8	160.5	52.2	0	0	122.5
178	A	42.2	Very low	44	Very low	84 Å²	84	135.7 Å²	135.7	69%	0.694	79%	0.794	S	S	*	*			trans	-63	161.4	176.6	0	0	0	0	0	116.9
179	T	41.8	Very low	44	Very low	151 Å²	151	136.3 Å²	136.3	93%	0.926	80%	0.796	S	S	*	*				-164.1	161.3	116.3	15.4	0	0	0	0	110.9
180	A	39.3	Very low	43.5	Very low	94 Å²	94	133.9 Å²	133.9	78%	0.777	79%	0.789	S	S	*	*			trans	-117.9	151.1	-177.8	0	0	0	0	0	111.6
181	V	43.7	Very low	43.1	Very low	152 Å²	152	133 Å²	133	92%	0.921	79%	0.785	S	S	*	*			trans	-147.8	139.3	162.6	-105.3	0	0	0	0	111.6
182	T	42.2	Very low	43	Very low	136 Å²	136	133.8 Å²	133.8	83%	0.834	78%	0.779	S	S	*	*			trans	-81.5	133.6	-177.7	-56	0	0	0	0	112.2
183	I	45.3	Very low	42.9	Very low	168 Å²	168	133.4 Å²	133.4	86%	0.862	78%	0.777	S	S	*	*			trans	-134.8	127.3	151.4	-55.5	-179.9	0	0	0	107.5
184	G	36.7	Very low	42.2	Very low	60 Å²	60	133.6 Å²	133.6	62%	0.619	77%	0.774	S	S	*	*			trans	-127.1	160.9	168.1	0	0	0	0	0	110
185	R	42.3	Very low	42.3	Very low	215 Å²	215	133.2 Å²	133.2	81%	0.811	77%	0.774	S	S	*	*			trans	-156.9	144.3	159.9	-105.6	172	88.7	138.1	5.9	111.7
186	H	35.3	Very low	42.2	Very low	127 Å²	127	135.8 Å²	135.8	59%	0.588	78%	0.779	S	S	*	*			trans	-35.7	156.4	171.8	43.3	-122	0	0	0	118.3
187	L	55.3	Low	42	Very low	171 Å²	171	133.4 Å²	133.4	90%	0.895	77%	0.773	S	S	*	*				-156.4	161.3	108	-103	164.9	0	0	0	110.5
188	N	38.6	Very low	42.1	Very low	142 Å²	142	129.7 Å²	129.7	76%	0.759	77%	0.767	S	S	*	*			trans	-132.4	174.6	-174.6	178.5	42.5	0	0	0	109.5
189	T	41.6	Very low	42.2	Very low	131 Å²	131	132 Å²	132	80%	0.804	77%	0.773	S	S	*	*			trans	76.1	131.9	176.5	-10.7	0	0	0	0	113.4
190	G	37.2	Very low	42.3	Very low	68 Å²	68	129.7 Å²	129.7	70%	0.701	76%	0.763	S	S	*	*			cis	156.8	-167.6	-6	0	0	0	0	0	111.5
191	H	35.7	Very low	42.7	Very low	169 Å²	169	132.4 Å²	132.4	78%	0.782	76%	0.763	S	S	*	*			trans	84.9	112.3	157.2	-162.7	-99.3	0	0	0	120.2
192	L	43.6	Very low	42.9	Very low	131 Å²	131	132.6 Å²	132.6	69%	0.686	76%	0.757	S	S	*	*			trans	66.9	149.7	150.7	-71.6	-160.3	0	0	0	120.5
193	D	41.5	Very low	42.9	Very low	139 Å²	139	129.1 Å²	129.1	74%	0.743	75%	0.748	S	S	*	*			cis	-157.8	-177.7	-13.9	-155.1	-2.2	0	0	0	111.1
194	D	43	Very low	42.7	Very low	133 Å²	133	127.6 Å²	127.6	71%	0.711	75%	0.747	S	S	*	*			trans	101.8	97.8	146.9	-143.3	6.8	0	0	0	120.5
195	S	44.8	Very low	43.1	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	76%	0.757	S	S	*	*			trans	33.9	127.1	137.7	-43.4	0	0	0	0	122.7
196	N	43.1	Very low	42.9	Very low	163 Å²	163	125.7 Å²	125.7	87%	0.872	76%	0.758	S	S	*	*				-167.6	172.5	84.6	-152	-10.1	0	0	0	112.5
197	A	43.4	Very low	43.3	Very low	79 Å²	79	123.9 Å²	123.9	65%	0.653	77%	0.765	S	S	*	*			trans	-69.5	163.8	-175.6	0	0	0	0	0	114.1
198	S	46.8	Very low	42.7	Very low	109 Å²	109	122.1 Å²	122.1	76%	0.762	76%	0.761	S	S	*	*			cis	-148.9	154.9	32.2	-63.5	0	0	0	0	117
199	T	44.2	Very low	43	Very low	133 Å²	133	121.5 Å²	121.5	82%	0.816	77%	0.765	S	S	*	*			trans	-24.3	149.7	151.8	33.6	0	0	0	0	117.1
200	S	45.2	Very low	43.2	Very low	102 Å²	102	121.2 Å²	121.2	71%	0.713	77%	0.768	S	S	*	*			cis	-164.3	-160.1	-6	-152.3	0	0	0	0	107.3
201	I	47.1	Very low	43.4	Very low	152 Å²	152	124 Å²	124	78%	0.779	78%	0.777	S	S	*	*			cis	-142	156.2	17.1	-55.3	167.5	0	0	0	110.8
202	I	47.3	Very low	43.8	Very low	155 Å²	155	119.7 Å²	119.7	80%	0.795	78%	0.779	S	S	*	*			trans	-41.2	145.5	163.9	-51.7	159.4	0	0	0	114
203	G	41.8	Very low	43.5	Very low	64 Å²	64	120 Å²	120	66%	0.66	79%	0.786	S	S	*	*			cis	169.4	178.8	-4.8	0	0	0	0	0	115.5
204	T	41.7	Very low	43.4	Very low	135 Å²	135	118.6 Å²	118.6	83%	0.828	79%	0.787	S	S	*	*			trans	-0.9	148.9	152.1	18.6	0	0	0	0	120.3
205	T	44.7	Very low	43.4	Very low	136 Å²	136	118.2 Å²	118.2	83%	0.834	80%	0.795	S	S	*	*			cis	-140.4	169	22.9	51	0	0	0	0	113.9
206	A	39.7	Very low	42.9	Very low	100 Å²	100	120.6 Å²	120.6	83%	0.826	81%	0.805	S	S	*	*			trans	-113.2	154.1	172.1	0	0	0	0	0	112.2
207	A	43.3	Very low	42.8	Very low	88 Å²	88	116.6 Å²	116.6	73%	0.727	80%	0.802	S	S	*	*			trans	-170.8	138.4	146.5	0	0	0	0	0	114
208	T	42.9	Very low	42.6	Very low	134 Å²	134	116.4 Å²	116.4	82%	0.822	81%	0.809	S	S	*	*			trans	50.1	129.2	149.5	48.6	0	0	0	0	122.7
209	P	43.3	Very low	42.1	Very low	129 Å²	129	119.2 Å²	119.2	84%	0.838	82%	0.815	S	S	*	*			trans	-95.1	154.8	163.4	37.8	-32.3	0	0	0	113.1
210	S	47	Very low	41.9	Very low	126 Å²	126	116.2 Å²	116.2	88%	0.881	80%	0.803	S	S	*	*			trans	-153	151.1	162.9	58.9	0	0	0	0	112
211	S	41.2	Very low	41.7	Very low	126 Å²	126	119 Å²	119	88%	0.881	81%	0.81	S	S	*	*			trans	-96.7	146.4	-179.4	48	0	0	0	0	111.9
212	G	43.2	Very low	41.4	Very low	79 Å²	79	121.7 Å²	121.7	81%	0.814	81%	0.81	S	S	*	*			trans	-156.6	121.7	177.2	0	0	0	0	0	112.5
213	T	38.5	Very low	41	Very low	136 Å²	136	120.4 Å²	120.4	83%	0.834	81%	0.812	S	S	*	*			trans	-82.1	143.6	-172.7	43.6	0	0	0	0	114.6
214	S	38.7	Very low	41.1	Very low	111 Å²	111	122.4 Å²	122.4	78%	0.776	82%	0.815	S	S	*	*			trans	-5.6	138.6	152.1	57.4	0	0	0	0	120.1
215	S	43.7	Very low	40.7	Very low	125 Å²	125	122.7 Å²	122.7	87%	0.874	82%	0.817	S	S	*	*			trans	-140.4	165.8	145.7	67	0	0	0	0	110.6
216	T	33.8	Very low	40.4	Very low	150 Å²	150	121.7 Å²	121.7	92%	0.92	81%	0.811	S	S	*	*			trans	-118.4	136.3	-159.6	-52.1	0	0	0	0	113
217	G	40.8	Very low	40.1	Very low	79 Å²	79	124.4 Å²	124.4	81%	0.814	81%	0.812	S	S	*	*			trans	157.1	142.7	167.2	0	0	0	0	0	112
218	G	39.9	Very low	40.2	Very low	76 Å²	76	129 Å²	129	78%	0.784	82%	0.816	S	S	*	*			cis	176.3	148.3	-7.9	0	0	0	0	0	113.2
219	D	36.1	Very low	39.6	Very low	168 Å²	168	132.4 Å²	132.4	90%	0.898	81%	0.813	S	S	*	*			trans	75.2	152.9	159.1	-124.4	-33.1	0	0	0	122.7
220	A	39.8	Very low	39.7	Very low	69 Å²	69	134.1 Å²	134.1	57%	0.57	82%	0.815	S	S	*	*			trans	72.6	98.7	150.1	0	0	0	0	0	122.6
221	L	42.2	Very low	39.5	Very low	162 Å²	162	134.6 Å²	134.6	85%	0.848	80%	0.803	S	S	*	*				55.7	146.4	115.5	-61.9	161.9	0	0	0	119.9
222	R	40.8	Very low	39.4	Very low	208 Å²	208	134 Å²	134	79%	0.785	81%	0.805	S	S	*	*			cis	-171.1	145.8	-10.4	171.3	-176.8	169.5	-163.7	-4.7	105.8
223	P	36.9	Very low	39.2	Very low	127 Å²	127	133.2 Å²	133.2	83%	0.825	80%	0.798	S	S	*	*			trans	-67.2	142.1	-176.3	26.7	-36.3	0	0	0	113.6
224	S	44.8	Very low	39.6	Very low	106 Å²	106	136 Å²	136	74%	0.741	80%	0.798	S	S	*	*			trans	-128.1	123.4	167.8	51	0	0	0	0	111
225	T	34	Very low	40.6	Very low	141 Å²	141	137.5 Å²	137.5	87%	0.865	80%	0.796	S	S	*	*			trans	-71.6	127.4	167.4	46.1	0	0	0	0	109.9
226	T	38.4	Very low	41.6	Very low	116 Å²	116	138.2 Å²	138.2	71%	0.712	79%	0.785	S	S	*	*			trans	-141.3	112.5	167.2	-50.5	0	0	0	0	109.7	K228	T226-K228 PolarHBondContact O-N 3.47Å
227	D	33.2	Very low	43.3	Very low	157 Å²	157	138.2 Å²	138.2	84%	0.84	78%	0.779	S	S	*	*			trans	-58.4	122.3	174.4	-66.2	-90.2	0	0	0	111.8
228	K	44.4	Very low	44.7	Very low	185 Å²	185	139.2 Å²	139.2	80%	0.804	76%	0.763	S	S	*	*			trans	-119	76.1	160.1	-79.1	-166.1	173.3	-176.4	0	110.1	T226 L230	T226-K228 PolarHBondContact O-N 3.47Å; K228-L230 PolarHBondContact O-N 3.13Å
229	R	30	Very low	46.1	Very low	205 Å²	205	139.6 Å²	139.6	77%	0.774	75%	0.747	S	S	*	*			trans	-40.7	107.3	152.1	168.4	179.7	162.7	163.8	-2.6	109	E231	R229-E231 IonicContact CZ-OE1 2.8Å; R229-E231 IonicContact NE-OE1 3.62Å; R229-E231 PolarHBondContact NE-OE1 3.48Å; R229-E231 IonicContact NH2-OE1 3.87Å; R229-E231 PolarHBondContact NH2-OE1 3.4Å; R229-E231 IonicContact NH2-OE2 3.66Å
230	L	46.6	Very low	47.7	Very low	165 Å²	165	135.7 Å²	135.7	86%	0.864	73%	0.725	S	S	*	*			trans	-89.4	124.1	167.7	-75.4	172.6	0	0	0	108	K228	K228-L230 PolarHBondContact O-N 3.13Å
231	E	42.5	Very low	49.3	Very low	135 Å²	135	140.7 Å²	140.7	63%	0.631	73%	0.73	S	S	*	*			trans	-65.3	146.2	-177.1	-72.8	-72.8	106.7	0	0	111.8	R229 G233	R229-E231 IonicContact CZ-OE1 2.8Å; R229-E231 IonicContact NE-OE1 3.62Å; R229-E231 PolarHBondContact NE-OE1 3.48Å; R229-E231 IonicContact NH2-OE1 3.87Å; R229-E231 PolarHBondContact NH2-OE1 3.4Å; R229-E231 IonicContact NH2-OE2 3.66Å; E231-G233 PolarHBondContact O-N 3.46Å
232	A	39	Very low	50.7	Low	113 Å²	113	136.8 Å²	136.8	93%	0.934	71%	0.709	S	S	*	*			trans	-68.4	103.3	174.2	0	0	0	0	0	110.4
233	G	38.9	Very low	52.1	Low	64 Å²	64	130.7 Å²	130.7	66%	0.66	69%	0.692	S	S	*	*			trans	-163.8	98.4	-176.2	0	0	0	0	0	115.2	E231	E231-G233 PolarHBondContact O-N 3.46Å
234	K	48	Very low	53.5	Low	195 Å²	195	130.2 Å²	130.2	85%	0.848	68%	0.681	S	S	*	*			trans	65.2	84.9	163.3	-55.3	172	-177	175.7	0	115.4	Q236	K234-Q236 PolarHBondContact O-N 2.94Å
235	I	59.4	Low	54.5	Low	142 Å²	142	128.1 Å²	128.1	73%	0.728	67%	0.667	S	S	*	*			trans	-53.1	120.8	157.1	-59.9	167.7	0	0	0	107.8	L240	I235-L240 HydrophobicContact CG2-CD1 4.31Å; I235-L240 HydrophobicContact CG2-CG 4.16Å
236	Q	65.3	Low	55.9	Low	139 Å²	139	124.7 Å²	124.7	65%	0.65	65%	0.649	S	S	*	*			trans	-93.2	146.4	178.4	-67.3	-172.6	-20.8	0	0	110.5	K234 Q238 D239 L240	K234-Q236 PolarHBondContact O-N 2.94Å; Q236-Q238 PolarHBondContact O-N 2.96Å; Q236-D239 WeakPolarHBondContact O-CB 3.33Å; Q236-D239 PolarHBondContact O-N 3.19Å; Q236-L240 PolarHBondContact O-N 2.98Å
237	L	67.7	Low	57.1	Low	151 Å²	151	124 Å²	124	79%	0.791	64%	0.64	S	S	*	*	H	α-helix	trans	-58	-23.4	176.3	-72	169.5	0	0	0	113.3	D239 L240 R241	L237-D239 VanDerWaalsContact C-N 3.34Å; L237-L240 HydrophobicContact CD2-CD1 4.38Å; L237-R241 WeakPolarHBondContact O-CB 3.33Å; L237-R241 PolarHBondContact O-N 3.09Å
238	Q	70.7	Confident	58.4	Low	100 Å²	100	119.9 Å²	119.9	47%	0.467	62%	0.623	S	S	.	*	H	α-helix	trans	-69.5	-31	173.5	-173.3	56.1	46.9	0	0	112.7	Q236 R241 N242	Q236-Q238 PolarHBondContact O-N 2.96Å; Q238-R241 PolarHBondContact O-N 3.03Å; Q238-N242 PolarHBondContact NE2-OD1 2.92Å; Q238-N242 PolarHBondContact O-N 3.19Å; Q238-N242 PolarHBondContact O-ND2 3.11Å; Q238-N242 PolarHBondContact O-OD1 3.27Å
239	D	69.9	Low	58.9	Low	83 Å²	83	116 Å²	116	44%	0.444	62%	0.615	S	S	.	*	H	α-helix	trans	-73.3	-45.5	178.6	-160.2	32.7	0	0	0	110.4	Q236 L237 R241 N242 I243	Q236-D239 WeakPolarHBondContact O-CB 3.33Å; Q236-D239 PolarHBondContact O-N 3.19Å; L237-D239 VanDerWaalsContact C-N 3.34Å; D239-R241 VanDerWaalsContact C-N 3.26Å; D239-R241 PolarHBondContact O-N 3.28Å; D239-N242 WeakPolarHBondContact O-CB 3.25Å; D239-N242 PolarHBondContact O-N 3.49Å; D239-I243 WeakPolarHBondContact O-CG1 3.43Å; D239-I243 PolarHBondContact O-N 3.43Å
240	L	69.6	Low	59.7	Low	86 Å²	86	109.1 Å²	109.1	45%	0.45	61%	0.608	S	S	.	*	H	α-helix	trans	-57.1	-38.3	168.4	-71.9	170.3	0	0	0	112.3	I235 Q236 L237 I243 L244	I235-L240 HydrophobicContact CG2-CD1 4.31Å; I235-L240 HydrophobicContact CG2-CG 4.16Å; Q236-L240 PolarHBondContact O-N 2.98Å; L237-L240 HydrophobicContact CD2-CD1 4.38Å; L240-I243 PolarHBondContact O-N 2.98Å; L240-L244 WeakPolarHBondContact O-CB 3.47Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 3Å
241	R	73.3	Confident	59.8	Low	175 Å²	175	107.7 Å²	107.7	66%	0.66	60%	0.599	S	S	*	*	H	α-helix	trans	-66.4	-38.3	174.3	-174.1	175	-177.7	163.7	3.8	112.5	L237 Q238 D239 S245	L237-R241 WeakPolarHBondContact O-CB 3.33Å; L237-R241 PolarHBondContact O-N 3.09Å; Q238-R241 PolarHBondContact O-N 3.03Å; D239-R241 VanDerWaalsContact C-N 3.26Å; D239-R241 PolarHBondContact O-N 3.28Å; R241-S245 WeakPolarHBondContact O-CB 3.2Å; R241-S245 PolarHBondContact O-N 3.09Å
242	N	71.8	Confident	59.7	Low	79 Å²	79	110.9 Å²	110.9	42%	0.422	61%	0.606	S	S	.	*	H	α-helix	trans	-64.8	-45.6	175	-66.1	-13.9	0	0	0	110.6	Q238 D239 S245 S246	Q238-N242 PolarHBondContact NE2-OD1 2.92Å; Q238-N242 PolarHBondContact O-N 3.19Å; Q238-N242 PolarHBondContact O-ND2 3.11Å; Q238-N242 PolarHBondContact O-OD1 3.27Å; D239-N242 WeakPolarHBondContact O-CB 3.25Å; D239-N242 PolarHBondContact O-N 3.49Å; N242-S245 PolarHBondContact O-N 2.95Å; N242-S245 VanDerWaalsContact O-N 3.11Å; N242-S245 PolarHBondContact O-OG 3.46Å; N242-S246 PolarHBondContact O-N 2.88Å
243	I	69.9	Low	59.8	Low	81 Å²	81	111.1 Å²	111.1	42%	0.415	60%	0.6	S	S	.	*	H	α-helix	trans	-61.6	-45.5	177	-65.7	162.6	0	0	0	111.3	D239 L240 S245 S246 I247	D239-I243 WeakPolarHBondContact O-CG1 3.43Å; D239-I243 PolarHBondContact O-N 3.43Å; L240-I243 PolarHBondContact O-N 2.98Å; I243-S245 VanDerWaalsContact C-N 3.25Å; I243-S245 PolarHBondContact O-N 3.47Å; I243-S246 PolarHBondContact O-N 2.87Å; I243-S246 PolarHBondContact O-OG 3.06Å; I243-I247 HydrophobicContact CG2-CD1 3.93Å; I243-I247 WeakPolarHBondContact O-CG1 3.46Å; I243-I247 PolarHBondContact O-N 3.32Å; I243-I247 VanDerWaalsContact O-N 3.1Å
244	L	66.6	Low	60	Low	116 Å²	116	113.8 Å²	113.8	61%	0.607	61%	0.609	S	S	*	*	H	α-helix	trans	-63.1	-31.2	174.2	-73.8	171.1	0	0	0	112.5	L240 S248	L240-L244 WeakPolarHBondContact O-CB 3.47Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 3Å; L244-S248 WeakPolarHBondContact O-CB 3.38Å; L244-S248 PolarHBondContact O-N 2.94Å; L244-S248 VanDerWaalsContact O-N 3.07Å; L244-S248 PolarHBondContact O-OG 3.33Å
245	S	65.5	Low	59.8	Low	62 Å²	62	109.6 Å²	109.6	43%	0.434	61%	0.605	S	S	.	*	H	α-helix	trans	-73.9	-32.4	177.6	78	0	0	0	0	113.7	R241 N242 I243 S248 T249	R241-S245 WeakPolarHBondContact O-CB 3.2Å; R241-S245 PolarHBondContact O-N 3.09Å; N242-S245 PolarHBondContact O-N 2.95Å; N242-S245 VanDerWaalsContact O-N 3.11Å; N242-S245 PolarHBondContact O-OG 3.46Å; I243-S245 VanDerWaalsContact C-N 3.25Å; I243-S245 PolarHBondContact O-N 3.47Å; S245-S248 PolarHBondContact O-OG 2.82Å; S245-T249 PolarHBondContact O-N 2.71Å; S245-T249 PolarHBondContact O-OG1 3.25Å
246	S	63.7	Low	58.9	Low	70 Å²	70	111.3 Å²	111.3	49%	0.49	62%	0.615	S	S	.	*	H	α-helix	trans	-75.1	-41.3	174.4	58.3	0	0	0	0	111.7	N242 I243 S248 T249 G250	N242-S246 PolarHBondContact O-N 2.88Å; I243-S246 PolarHBondContact O-N 2.87Å; I243-S246 PolarHBondContact O-OG 3.06Å; S246-S248 PolarHBondContact O-N 3.34Å; S246-T249 PolarHBondContact O-N 2.67Å; S246-T249 PolarHBondContact O-OG1 2.91Å; S246-G250 PolarHBondContact O-N 3.24Å
247	I	63.5	Low	58	Low	101 Å²	101	111.5 Å²	111.5	52%	0.518	62%	0.621	S	S	.	*	H	α-helix	trans	-56.9	-50.4	173	-67.6	167.4	0	0	0	110.4	I243 T249 G250 I251	I243-I247 HydrophobicContact CG2-CD1 3.93Å; I243-I247 WeakPolarHBondContact O-CG1 3.46Å; I243-I247 PolarHBondContact O-N 3.32Å; I243-I247 VanDerWaalsContact O-N 3.1Å; I247-T249 PolarHBondContact O-N 3.14Å; I247-G250 PolarHBondContact O-N 3.41Å; I247-I251 WeakPolarHBondContact O-CD1 3.48Å; I247-I251 WeakPolarHBondContact O-CG1 3.44Å
248	S	60.3	Low	57.1	Low	70 Å²	70	109.1 Å²	109.1	49%	0.49	62%	0.623	S	S	.	*	H	α-helix	trans	-72.4	-9	-178.7	54.9	0	0	0	0	115.3	L244 S245 S246	L244-S248 WeakPolarHBondContact O-CB 3.38Å; L244-S248 PolarHBondContact O-N 2.94Å; L244-S248 VanDerWaalsContact O-N 3.07Å; L244-S248 PolarHBondContact O-OG 3.33Å; S245-S248 PolarHBondContact O-OG 2.82Å; S246-S248 PolarHBondContact O-N 3.34Å
249	T	55.1	Low	56.2	Low	104 Å²	104	110.7 Å²	110.7	64%	0.638	63%	0.628	S	S	*	*	H	α-helix	trans	-103.1	-18.2	171.9	47.3	0	0	0	0	114.1	S245 S246 I247 I251	S245-T249 PolarHBondContact O-N 2.71Å; S245-T249 PolarHBondContact O-OG1 3.25Å; S246-T249 PolarHBondContact O-N 2.67Å; S246-T249 PolarHBondContact O-OG1 2.91Å; I247-T249 PolarHBondContact O-N 3.14Å; T249-I251 VanDerWaalsContact C-N 3.33Å; T249-I251 PolarHBondContact O-N 2.69Å
250	G	46.3	Very low	55.7	Low	60 Å²	60	109.9 Å²	109.9	62%	0.619	63%	0.626	S	S	*	*	H	α-helix	trans	-71.5	-20.3	174.7	0	0	0	0	0	115.2	S246 I247 R252	S246-G250 PolarHBondContact O-N 3.24Å; I247-G250 PolarHBondContact O-N 3.41Å; G250-R252 PolarHBondContact O-N 2.8Å
251	I	48.9	Very low	55.3	Low	135 Å²	135	111.7 Å²	111.7	69%	0.692	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	9.1	-171.9	-64.5	162.2	0	0	0	113.4	I247 T249	I247-I251 WeakPolarHBondContact O-CD1 3.48Å; I247-I251 WeakPolarHBondContact O-CG1 3.44Å; T249-I251 VanDerWaalsContact C-N 3.33Å; T249-I251 PolarHBondContact O-N 2.69Å
252	R	40.3	Very low	54.7	Low	202 Å²	202	104.8 Å²	104.8	76%	0.762	61%	0.608	S	S	*	*	S	Bend	trans	-122.3	108.4	-178.8	-58.4	-175.6	-163.7	176.5	6.8	111.6	G250	G250-R252 PolarHBondContact O-N 2.8Å
253	S	40.7	Very low	54.3	Low	118 Å²	118	103.6 Å²	103.6	83%	0.825	60%	0.602	S	S	*	*			trans	93.7	86.8	175.2	-39.7	0	0	0	0	116
254	S	43.2	Very low	54	Low	121 Å²	121	106.4 Å²	106.4	85%	0.846	62%	0.618	S	S	*	*			trans	-151	101.1	153.1	-84.6	0	0	0	0	112.2
255	S	44.8	Very low	53.7	Low	107 Å²	107	104.2 Å²	104.2	75%	0.748	61%	0.609	S	S	*	*			trans	22.1	107.2	158.4	58.7	0	0	0	0	120.1	N257	S255-N257 PolarHBondContact O-N 2.77Å
256	N	40.7	Very low	53.4	Low	178 Å²	178	103.8 Å²	103.8	95%	0.952	60%	0.601	S	S	*	*			trans	-22.9	86.1	147	-55.4	-14.9	0	0	0	115.2
257	N	45.6	Very low	53.1	Low	143 Å²	143	103.5 Å²	103.5	77%	0.765	59%	0.594	S	S	*	*			trans	-145.8	120.1	168.3	-152.3	-9.7	0	0	0	108.5	S255 K259	S255-N257 PolarHBondContact O-N 2.77Å; N257-K259 VanDerWaalsContact C-N 3.33Å; N257-K259 PolarHBondContact O-N 2.73Å
258	A	48.6	Very low	52.8	Low	101 Å²	101	100 Å²	100	84%	0.835	58%	0.578	S	S	*	*			trans	-78.5	72	-157.6	0	0	0	0	0	113.8	V260	A258-V260 PolarHBondContact O-N 3.05Å
259	K	52.4	Low	52.7	Low	132 Å²	132	101.9 Å²	101.9	57%	0.574	58%	0.583	S	S	*	*			trans	-90.3	80.3	170.3	-76.4	-153.3	174.6	-160.6	0	111.7	N257 R325 D350	N257-K259 VanDerWaalsContact C-N 3.33Å; N257-K259 PolarHBondContact O-N 2.73Å; K259-R325 PolarHBondContact O-NH2 3.44Å; K259-R325 VanDerWaalsContact O-NH2 3.09Å; K259-D350 IonicContact NZ-OD2 3.75Å; K259-D350 PolarHBondContact NZ-OD2 2.99Å
260	V	59.4	Low	52.9	Low	67 Å²	67	101.4 Å²	101.4	41%	0.406	58%	0.576	S	S	.	*			trans	22.6	106.3	154.5	-173.2	0	0	0	0	115.1	A258 V265 V352	A258-V260 PolarHBondContact O-N 3.05Å; V260-V265 HydrophobicContact CG1-CG2 3.38Å; V260-V352 HydrophobicContact CG2-CG2 4.4Å
261	E	60.1	Low	53.4	Low	123 Å²	123	99.9 Å²	99.9	58%	0.575	55%	0.554	S	S	*	*			trans	-82.2	136.6	170.3	-70	176.5	-175.3	0	0	110.2	N263 D264	E261-N263 VanDerWaalsContact C-N 3.26Å; E261-N263 PolarHBondContact O-N 3.21Å; E261-D264 PolarHBondContact O-N 3Å; E261-D264 VanDerWaalsContact O-N 3.14Å
262	L	62.2	Low	53.8	Low	30 Å²	30	97.5 Å²	97.5	16%	0.157	54%	0.539	C	S	.	.	H	α-helix	trans	-64.2	-30.7	-176.9	-84.8	170.4	0	0	0	112.8	D264 V265 L266 L317 F320 L351	L262-D264 PolarHBondContact O-N 3.27Å; L262-V265 PolarHBondContact O-N 2.72Å; L262-L266 HydrophobicContact CB-CD1 4.28Å; L262-L266 HydrophobicContact CD2-CD1 4.01Å; L262-L266 HydrophobicContact CD2-CG 4.31Å; L262-L266 VanDerWaalsContact O-CB 3.26Å; L262-L266 WeakPolarHBondContact O-CB 3.39Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 2.73Å; L262-L317 HydrophobicContact CB-CD1 3.91Å; L262-L317 HydrophobicContact CB-CD2 4.19Å; L262-L317 HydrophobicContact CB-CG 3.96Å; L262-L317 HydrophobicContact CD1-CD1 3.99Å; L262-F320 HydrophobicContact CD1-CD1 3.94Å; L262-F320 HydrophobicContact CD1-CE1 4.17Å; L262-L351 HydrophobicContact CD1-CD2 3.73Å; L262-L351 HydrophobicContact CD2-CD2 3.93Å; L262-L351 HydrophobicContact CG-CD2 3.55Å
263	N	62.5	Low	54.8	Low	54 Å²	54	92 Å²	92	29%	0.289	53%	0.531	S	S	.	.	H	α-helix	trans	-56.2	-35.6	173.8	-86.2	-33.9	0	0	0	113.2	E261 E318	E261-N263 VanDerWaalsContact C-N 3.26Å; E261-N263 PolarHBondContact O-N 3.21Å; N263-E318 WeakPolarHBondContact ND2-CG 3.28Å; N263-E318 PolarHBondContact ND2-OE1 3.45Å
264	D	63.2	Low	55.5	Low	140 Å²	140	89.9 Å²	89.9	75%	0.749	51%	0.511	S	S	*	.	H	α-helix	trans	-81.5	-26.4	-175.2	-157.4	42.5	0	0	0	111.8	E261 L262	E261-D264 PolarHBondContact O-N 3Å; E261-D264 VanDerWaalsContact O-N 3.14Å; L262-D264 PolarHBondContact O-N 3.27Å
265	V	60.1	Low	56.2	Low	70 Å²	70	84.6 Å²	84.6	42%	0.424	47%	0.473	S	S	.	.	H	α-helix	trans	-89.1	-38	176.7	-179.7	0	0	0	0	112.1	V260 L262 N267 N270	V260-V265 HydrophobicContact CG1-CG2 3.38Å; L262-V265 PolarHBondContact O-N 2.72Å; V265-N267 PolarHBondContact O-N 2.9Å; V265-N267 VanDerWaalsContact O-N 3.16Å; V265-N270 PolarHBondContact O-ND2 3.2Å
266	L	60.4	Low	57	Low	53 Å²	53	85.2 Å²	85.2	28%	0.277	47%	0.468	S	S	.	.	S	Bend	trans	-87.7	36.8	-178.3	-61.8	178.4	0	0	0	112.7	L262 L271 L317	L262-L266 HydrophobicContact CB-CD1 4.28Å; L262-L266 HydrophobicContact CD2-CD1 4.01Å; L262-L266 HydrophobicContact CD2-CG 4.31Å; L262-L266 VanDerWaalsContact O-CB 3.26Å; L262-L266 WeakPolarHBondContact O-CB 3.39Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 2.73Å; L266-L271 HydrophobicContact CB-CD1 4.17Å; L266-L271 HydrophobicContact CD2-CD1 4.4Å; L266-L271 HydrophobicContact CD2-CD2 4.01Å; L266-L271 HydrophobicContact CD2-CG 4.35Å; L266-L317 HydrophobicContact CB-CD2 4.27Å; L266-L317 HydrophobicContact CD1-CD1 3.74Å; L266-L317 HydrophobicContact CD1-CD2 3.8Å; L266-L317 HydrophobicContact CD1-CG 4.4Å
267	N	56.2	Low	57.8	Low	64 Å²	64	81.6 Å²	81.6	34%	0.342	44%	0.444	S	S	.	.			trans	-59	146.6	166	-176.8	26.2	0	0	0	110.5	V265 D269 N270 L271	V265-N267 PolarHBondContact O-N 2.9Å; V265-N267 VanDerWaalsContact O-N 3.16Å; N267-D269 PolarHBondContact ND2-OD2 3.31Å; N267-D269 PolarHBondContact O-N 3.36Å; N267-N270 PolarHBondContact O-N 3.38Å; N267-N270 VanDerWaalsContact O-N 3.12Å; N267-L271 PolarHBondContact O-N 2.85Å
268	V	58.5	Low	58.5	Low	28 Å²	28	78.5 Å²	78.5	17%	0.17	43%	0.432	C	S	.	.	H	α-helix	trans	-56.4	-37.3	-174	-178.1	0	0	0	0	111.4	N270 L271 H272 T305 I308 Q309	V268-N270 PolarHBondContact O-N 3.14Å; V268-L271 CarbonylContact O-C 3.52Å; V268-L271 PolarHBondContact O-N 3.19Å; V268-H272 WeakPolarHBondContact O-CB 3.2Å; V268-H272 PolarHBondContact O-N 2.95Å; V268-T305 HydrophobicContact CG1-CG2 4.31Å; V268-I308 HydrophobicContact CG2-CG2 4.22Å; V268-Q309 HydrophobicContact CG2-CG 4.07Å
269	D	58.2	Low	59	Low	110 Å²	110	79.1 Å²	79.1	59%	0.588	42%	0.421	S	S	*	.	H	α-helix	trans	-60	-42.1	179.2	-56.3	-62.1	0	0	0	113.2	N267 H272	N267-D269 PolarHBondContact ND2-OD2 3.31Å; N267-D269 PolarHBondContact O-N 3.36Å; D269-H272 WeakPolarHBondContact O-CB 3.49Å; D269-H272 PolarHBondContact O-N 2.84Å
270	N	59	Low	59.3	Low	94 Å²	94	75.3 Å²	75.3	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-66.9	-44.1	176.6	-69.2	-28.6	0	0	0	110.4	V265 N267 V268 H272 S273	V265-N270 PolarHBondContact O-ND2 3.2Å; N267-N270 PolarHBondContact O-N 3.38Å; N267-N270 VanDerWaalsContact O-N 3.12Å; V268-N270 PolarHBondContact O-N 3.14Å; N270-H272 VanDerWaalsContact C-N 3.31Å; N270-H272 PolarHBondContact O-N 2.95Å; N270-S273 PolarHBondContact O-OG 3.25Å
271	L	56.9	Low	59.1	Low	28 Å²	28	74.6 Å²	74.6	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-70.5	-23.4	-180	-73.9	-178.7	0	0	0	113.2	L266 N267 V268 S273 L274 L275 I308	L266-L271 HydrophobicContact CB-CD1 4.17Å; L266-L271 HydrophobicContact CD2-CD1 4.4Å; L266-L271 HydrophobicContact CD2-CD2 4.01Å; L266-L271 HydrophobicContact CD2-CG 4.35Å; N267-L271 PolarHBondContact O-N 2.85Å; V268-L271 CarbonylContact O-C 3.52Å; V268-L271 PolarHBondContact O-N 3.19Å; L271-S273 PolarHBondContact O-N 3.44Å; L271-S273 VanDerWaalsContact O-N 3.11Å; L271-L274 HydrophobicContact CD2-CD1 4.25Å; L271-L274 WeakPolarHBondContact O-CA 3.25Å; L271-L274 PolarHBondContact O-N 3.29Å; L271-L275 HydrophobicContact CB-CD1 4.1Å; L271-L275 WeakPolarHBondContact O-CD1 3.22Å; L271-L275 PolarHBondContact O-N 2.84Å; L271-I308 HydrophobicContact CD1-CG2 4.4Å
272	H	57.2	Low	59	Low	85 Å²	85	75.8 Å²	75.8	39%	0.394	40%	0.404	S	S	.	.	H	α-helix	trans	-58.8	-27.4	179	-145.6	-53.6	0	0	0	112.9	V268 D269 N270 L274 N276	V268-H272 WeakPolarHBondContact O-CB 3.2Å; V268-H272 PolarHBondContact O-N 2.95Å; D269-H272 WeakPolarHBondContact O-CB 3.49Å; D269-H272 PolarHBondContact O-N 2.84Å; N270-H272 VanDerWaalsContact C-N 3.31Å; N270-H272 PolarHBondContact O-N 2.95Å; H272-L274 VanDerWaalsContact C-N 3.33Å; H272-N276 WeakPolarHBondContact O-CB 3.49Å; H272-N276 PolarHBondContact O-N 3.31Å
273	S	60.5	Low	58.8	Low	85 Å²	85	83.8 Å²	83.8	59%	0.594	43%	0.432	S	S	*	.	H	α-helix	trans	-72.1	-21.8	174	71.1	0	0	0	0	114.5	N270 L271	N270-S273 PolarHBondContact O-OG 3.25Å; L271-S273 PolarHBondContact O-N 3.44Å; L271-S273 VanDerWaalsContact O-N 3.11Å
274	L	56.6	Low	58.6	Low	74 Å²	74	84.1 Å²	84.1	39%	0.387	43%	0.433	S	S	.	.	H	α-helix	trans	-101.1	-39.8	179.4	-74.5	160.3	0	0	0	111.5	L271 H272 N276 K277 I280	L271-L274 HydrophobicContact CD2-CD1 4.25Å; L271-L274 WeakPolarHBondContact O-CA 3.25Å; L271-L274 PolarHBondContact O-N 3.29Å; H272-L274 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 2.91Å; L274-K277 WeakPolarHBondContact O-CB 3.5Å; L274-K277 PolarHBondContact O-N 2.94Å; L274-K277 VanDerWaalsContact O-N 3.15Å; L274-I280 HydrophobicContact CB-CD1 4.38Å; L274-I280 HydrophobicContact CD2-CD1 4.05Å
275	L	57.4	Low	58.4	Low	11 Å²	11	81.8 Å²	81.8	6%	0.058	42%	0.42	C	S	.	.	H	α-helix	trans	-59.9	-26.5	174.5	-97	62.4	0	0	0	113	L271 K277 Q281 L301 I304 T305 I308	L271-L275 HydrophobicContact CB-CD1 4.1Å; L271-L275 WeakPolarHBondContact O-CD1 3.22Å; L271-L275 PolarHBondContact O-N 2.84Å; L275-K277 PolarHBondContact O-N 3.49Å; L275-Q281 WeakPolarHBondContact O-CG 3.47Å; L275-Q281 PolarHBondContact O-NE2 2.86Å; L275-L301 HydrophobicContact CB-CD1 4.44Å; L275-I304 HydrophobicContact CD2-CG2 3.72Å; L275-I304 HydrophobicContact CG-CG2 4.03Å; L275-T305 HydrophobicContact CD2-CG2 4.11Å; L275-I308 HydrophobicContact CD1-CD1 4.04Å; L275-I308 HydrophobicContact CD2-CD1 3.88Å; L275-I308 HydrophobicContact CG-CD1 4.47Å
276	N	61	Low	58.7	Low	120 Å²	120	82.8 Å²	82.8	64%	0.642	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	11.1	177.6	-157.8	39.2	0	0	0	113.8	H272 L274	H272-N276 WeakPolarHBondContact O-CB 3.49Å; H272-N276 PolarHBondContact O-N 3.31Å; L274-N276 PolarHBondContact O-N 2.91Å
277	K	58.3	Low	58.3	Low	101 Å²	101	87.8 Å²	87.8	44%	0.439	45%	0.45	S	S	.	.			trans	-103.6	123.4	173.7	-64.6	-175.4	178.6	-178.9	0	110.5	L274 L275 D279 I280 Q281	L274-K277 WeakPolarHBondContact O-CB 3.5Å; L274-K277 PolarHBondContact O-N 2.94Å; L274-K277 VanDerWaalsContact O-N 3.15Å; L275-K277 PolarHBondContact O-N 3.49Å; K277-D279 VanDerWaalsContact C-N 3.32Å; K277-D279 PolarHBondContact O-N 2.83Å; K277-I280 HydrophobicContact CB-CB 4.36Å; K277-I280 HydrophobicContact CB-CD1 4.16Å; K277-I280 HydrophobicContact CB-CG1 4.17Å; K277-I280 HydrophobicContact CD-CD1 4.03Å; K277-I280 PolarHBondContact O-N 3.2Å; K277-I280 VanDerWaalsContact O-N 3.1Å; K277-Q281 PolarHBondContact O-N 3.35Å
278	P	59.6	Low	58.3	Low	79 Å²	79	87.1 Å²	87.1	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-61.6	-38.4	-177.7	24.8	-33.4	0	0	0	112.4	I280 Q281 E282	P278-I280 PolarHBondContact O-N 3.1Å; P278-Q281 PolarHBondContact O-N 2.87Å; P278-E282 PolarHBondContact O-N 2.87Å
279	D	58.9	Low	58.2	Low	114 Å²	114	90.4 Å²	90.4	61%	0.61	47%	0.468	S	S	*	.	H	α-helix	trans	-56.9	-25.3	177.5	-40.3	-52.1	0	0	0	113.7	K277 R283	K277-D279 VanDerWaalsContact C-N 3.32Å; K277-D279 PolarHBondContact O-N 2.83Å; D279-R283 WeakPolarHBondContact O-CG 3.32Å
280	I	58.9	Low	57.9	Low	52 Å²	52	91.1 Å²	91.1	27%	0.267	48%	0.479	S	S	.	.	H	α-helix	trans	-89.8	-39.5	179.2	-64.1	-176.9	0	0	0	110	L274 K277 P278 R283 L284	L274-I280 HydrophobicContact CB-CD1 4.38Å; L274-I280 HydrophobicContact CD2-CD1 4.05Å; K277-I280 HydrophobicContact CB-CB 4.36Å; K277-I280 HydrophobicContact CB-CD1 4.16Å; K277-I280 HydrophobicContact CB-CG1 4.17Å; K277-I280 HydrophobicContact CD-CD1 4.03Å; K277-I280 PolarHBondContact O-N 3.2Å; K277-I280 VanDerWaalsContact O-N 3.1Å; P278-I280 PolarHBondContact O-N 3.1Å; I280-R283 PolarHBondContact O-N 2.81Å; I280-L284 HydrophobicContact CG2-CD1 3.56Å; I280-L284 VanDerWaalsContact O-CD1 3.24Å; I280-L284 WeakPolarHBondContact O-CD1 3.19Å; I280-L284 PolarHBondContact O-N 2.87Å
281	Q	54.7	Low	57.4	Low	51 Å²	51	91.8 Å²	91.8	24%	0.238	48%	0.482	C	S	.	.	H	α-helix	trans	-59.5	-50.9	173.4	-64.2	176.7	-4.7	0	0	111.3	L275 K277 P278 R283 L284 L285 I304	L275-Q281 WeakPolarHBondContact O-CG 3.47Å; L275-Q281 PolarHBondContact O-NE2 2.86Å; K277-Q281 PolarHBondContact O-N 3.35Å; P278-Q281 PolarHBondContact O-N 2.87Å; Q281-R283 PolarHBondContact O-N 2.89Å; Q281-R283 VanDerWaalsContact O-N 3.14Å; Q281-L284 PolarHBondContact O-N 3.38Å; Q281-L284 VanDerWaalsContact O-N 3.11Å; Q281-L285 WeakPolarHBondContact O-CG 3.4Å; Q281-L285 PolarHBondContact O-N 2.91Å; Q281-I304 HydrophobicContact CB-CD1 4.47Å; Q281-I304 HydrophobicContact CG-CD1 4.22Å
282	E	59	Low	56.7	Low	148 Å²	148	96.7 Å²	96.7	69%	0.692	51%	0.508	S	S	*	.	H	α-helix	trans	-59.9	-25.7	178	-70.7	-169.6	177.7	0	0	113.4	P278 P286	P278-E282 PolarHBondContact O-N 2.87Å; E282-P286 WeakPolarHBondContact O-CD 3.38Å
283	R	57.9	Low	56.4	Low	199 Å²	199	98.2 Å²	98.2	75%	0.751	53%	0.526	S	S	*	.	H	α-helix	trans	-89.7	-22.5	176.7	-75.9	-175.2	171.8	-160.4	-1.1	114.7	D279 I280 Q281 H287	D279-R283 WeakPolarHBondContact O-CG 3.32Å; I280-R283 PolarHBondContact O-N 2.81Å; Q281-R283 PolarHBondContact O-N 2.89Å; Q281-R283 VanDerWaalsContact O-N 3.14Å; R283-H287 PolarHBondContact O-CD2 2.8Å
284	L	59.3	Low	55.8	Low	60 Å²	60	102.9 Å²	102.9	31%	0.314	54%	0.538	S	S	.	.	H	α-helix	trans	-85.4	-35.8	173.1	-91.9	99.1	0	0	0	112.8	I280 Q281 H287 L288	I280-L284 HydrophobicContact CG2-CD1 3.56Å; I280-L284 VanDerWaalsContact O-CD1 3.24Å; I280-L284 WeakPolarHBondContact O-CD1 3.19Å; I280-L284 PolarHBondContact O-N 2.87Å; Q281-L284 PolarHBondContact O-N 3.38Å; Q281-L284 VanDerWaalsContact O-N 3.11Å; L284-H287 CarbonylContact O-C 3.59Å; L284-H287 PolarHBondContact O-N 2.92Å; L284-L288 HydrophobicContact CB-CD1 4.14Å; L284-L288 HydrophobicContact CD2-CD1 3.95Å; L284-L288 HydrophobicContact CG-CD1 4.48Å; L284-L288 PolarHBondContact O-N 2.86Å; L284-L288 VanDerWaalsContact O-N 3.08Å
285	L	57.7	Low	55.1	Low	91 Å²	91	102.4 Å²	102.4	48%	0.476	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-48.2	-45.4	178.1	-76.4	167.5	0	0	0	114.8	Q281 H287	Q281-L285 WeakPolarHBondContact O-CG 3.4Å; Q281-L285 PolarHBondContact O-N 2.91Å; L285-H287 PolarHBondContact O-N 2.88Å
286	P	65.6	Low	54.2	Low	92 Å²	92	106.7 Å²	106.7	60%	0.597	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-77.2	-0.8	177.7	31.6	-37.9	0	0	0	115	E282	E282-P286 WeakPolarHBondContact O-CD 3.38Å
287	H	52.5	Low	53.3	Low	158 Å²	158	105.1 Å²	105.1	73%	0.731	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-122.8	-4.4	-176	-69.6	-42.7	0	0	0	114.5	R283 L284 L285	R283-H287 PolarHBondContact O-CD2 2.8Å; L284-H287 CarbonylContact O-C 3.59Å; L284-H287 PolarHBondContact O-N 2.92Å; L285-H287 PolarHBondContact O-N 2.88Å
288	L	57.1	Low	52.7	Low	50 Å²	50	106.4 Å²	106.4	26%	0.262	59%	0.593	S	S	.	*	S	Bend	trans	-78.2	135.2	168.5	-100.8	64.6	0	0	0	110.8	L284 I304 N307	L284-L288 HydrophobicContact CB-CD1 4.14Å; L284-L288 HydrophobicContact CD2-CD1 3.95Å; L284-L288 HydrophobicContact CG-CD1 4.48Å; L284-L288 PolarHBondContact O-N 2.86Å; L284-L288 VanDerWaalsContact O-N 3.08Å; L288-I304 HydrophobicContact CD2-CG1 4.49Å; L288-N307 HydrophobicContact CD2-CB 3.73Å; L288-N307 HydrophobicContact CG-CB 4.44Å
289	P	56.1	Low	52.4	Low	96 Å²	96	107 Å²	107	62%	0.623	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-59.7	134.8	164.3	-21.4	33.6	0	0	0	110.4	L291	P289-L291 PolarHBondContact O-N 3.31Å
290	P	51	Low	52.4	Low	125 Å²	125	106 Å²	106	81%	0.812	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-62	117.8	176.4	-24.7	34.9	0	0	0	111.8	D292	P290-D292 PolarHBondContact O-N 3.15Å
291	L	49.4	Very low	52.4	Low	108 Å²	108	106.6 Å²	106.6	57%	0.565	59%	0.589	S	S	*	*	S	Bend	trans	-93.3	94.1	174.9	-148	76.1	0	0	0	108.8	P289	P289-L291 PolarHBondContact O-N 3.31Å
292	D	42.2	Very low	52.7	Low	131 Å²	131	109.7 Å²	109.7	70%	0.701	60%	0.604	S	S	*	*			trans	61.5	136.7	-169.3	-82.4	-47.4	0	0	0	117	P290 E294 S295	P290-D292 PolarHBondContact O-N 3.15Å; D292-E294 VanDerWaalsContact C-N 3.35Å; D292-E294 PolarHBondContact O-N 2.73Å; D292-S295 PolarHBondContact O-OG 3.08Å
293	P	50.6	Low	52.7	Low	118 Å²	118	106 Å²	106	77%	0.766	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	2	-175.3	34.9	-37.2	0	0	0	115.1
294	E	47.5	Very low	52.9	Low	183 Å²	183	96.7 Å²	96.7	86%	0.855	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-7.2	-174.5	-60.6	-149.1	135.1	0	0	114.9	D292 A296	D292-E294 VanDerWaalsContact C-N 3.35Å; D292-E294 PolarHBondContact O-N 2.73Å; E294-A296 PolarHBondContact O-N 3.07Å
295	S	42.4	Very low	53.2	Low	64 Å²	64	95 Å²	95	45%	0.448	55%	0.547	S	S	.	.			trans	-79.2	42.6	-179.4	55.6	0	0	0	0	113.7	D292 S297	D292-S295 PolarHBondContact O-OG 3.08Å; S295-S297 PolarHBondContact O-N 2.9Å
296	A	38.5	Very low	53.5	Low	101 Å²	101	92.8 Å²	92.8	84%	0.835	54%	0.541	S	S	*	.			trans	-74.8	41.4	-173.3	0	0	0	0	0	114.8	E294	E294-A296 PolarHBondContact O-N 3.07Å
297	S	41.4	Very low	53.4	Low	86 Å²	86	89.4 Å²	89.4	60%	0.601	52%	0.518	S	S	*	.	S	Bend	trans	-157	113.3	178.4	57.9	0	0	0	0	114.7	S295	S295-S297 PolarHBondContact O-N 2.9Å
298	T	45.8	Very low	54.2	Low	128 Å²	128	82.7 Å²	82.7	79%	0.785	49%	0.487	S	S	*	.	S	Bend	trans	59.9	55.7	137	65.9	0	0	0	0	119.4
299	N	53.1	Low	54.4	Low	91 Å²	91	85.9 Å²	85.9	49%	0.487	50%	0.501	S	S	.	.			trans	-166.1	72.2	153.6	-110.5	0.3	0	0	0	113.1	L301 E302 N303	N299-L301 VanDerWaalsContact C-N 3.34Å; N299-L301 PolarHBondContact O-N 2.84Å; N299-E302 HydrophobicContact CB-CB 4Å; N299-E302 PolarHBondContact ND2-OE2 2.91Å; N299-E302 PolarHBondContact O-N 3.49Å; N299-N303 PolarHBondContact O-N 3.38Å; N299-N303 VanDerWaalsContact O-N 3.1Å
300	D	58.8	Low	55.1	Low	93 Å²	93	82.6 Å²	82.6	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-60.7	-38.7	-173.9	-55.8	-50.7	0	0	0	113.5	N303 I304	D300-N303 PolarHBondContact O-N 2.83Å; D300-I304 WeakPolarHBondContact O-CD1 3.35Å; D300-I304 VanDerWaalsContact O-CG1 3.24Å; D300-I304 WeakPolarHBondContact O-CG1 3.26Å; D300-I304 PolarHBondContact O-N 2.92Å
301	L	59.4	Low	56	Low	65 Å²	65	80.8 Å²	80.8	34%	0.34	47%	0.47	S	S	.	.	H	α-helix	trans	-65.3	-40.8	178.9	-173.8	67.7	0	0	0	112.2	L275 N299 I304 T305	L275-L301 HydrophobicContact CB-CD1 4.44Å; N299-L301 VanDerWaalsContact C-N 3.34Å; N299-L301 PolarHBondContact O-N 2.84Å; L301-I304 PolarHBondContact O-N 3.45Å; L301-T305 WeakPolarHBondContact O-CG2 3.36Å; L301-T305 PolarHBondContact O-N 2.9Å; L301-T305 PolarHBondContact O-OG1 2.94Å
302	E	61.2	Low	57	Low	117 Å²	117	82.2 Å²	82.2	55%	0.547	47%	0.474	S	S	.	.	H	α-helix	trans	-68.6	-41.8	179.6	-166.4	171.8	-160.5	0	0	110.9	N299 I304 T305 A306	N299-E302 HydrophobicContact CB-CB 4Å; N299-E302 PolarHBondContact ND2-OE2 2.91Å; N299-E302 PolarHBondContact O-N 3.49Å; E302-I304 VanDerWaalsContact C-N 3.32Å; E302-I304 PolarHBondContact O-N 3.37Å; E302-T305 WeakPolarHBondContact CA-OG1 3.43Å; E302-T305 PolarHBondContact O-N 2.95Å; E302-T305 PolarHBondContact O-OG1 2.99Å; E302-T305 VanDerWaalsContact O-OG1 3.08Å; E302-A306 VanDerWaalsContact O-CB 3.25Å; E302-A306 WeakPolarHBondContact O-CB 3.47Å; E302-A306 PolarHBondContact O-N 3.29Å
303	N	58.3	Low	58.4	Low	69 Å²	69	79.5 Å²	79.5	37%	0.369	46%	0.456	S	S	.	.	H	α-helix	trans	-60.8	-40	173.6	-75.8	-25.8	0	0	0	112.1	N299 D300 N307	N299-N303 PolarHBondContact O-N 3.38Å; N299-N303 VanDerWaalsContact O-N 3.1Å; D300-N303 PolarHBondContact O-N 2.83Å; N303-N307 WeakPolarHBondContact O-CB 3.42Å; N303-N307 PolarHBondContact O-N 3.27Å; N303-N307 VanDerWaalsContact O-N 3.11Å; N303-N307 PolarHBondContact O-ND2 3.22Å
304	I	62.5	Low	59.4	Low	4 Å²	4	78.6 Å²	78.6	2%	0.021	44%	0.44	C	S	.	.	H	α-helix	trans	-68.7	-45.1	176.3	-65.2	164.1	0	0	0	110.9	L275 Q281 L288 D300 L301 E302 N307 I308	L275-I304 HydrophobicContact CD2-CG2 3.72Å; L275-I304 HydrophobicContact CG-CG2 4.03Å; Q281-I304 HydrophobicContact CB-CD1 4.47Å; Q281-I304 HydrophobicContact CG-CD1 4.22Å; L288-I304 HydrophobicContact CD2-CG1 4.49Å; D300-I304 WeakPolarHBondContact O-CD1 3.35Å; D300-I304 VanDerWaalsContact O-CG1 3.24Å; D300-I304 WeakPolarHBondContact O-CG1 3.26Å; D300-I304 PolarHBondContact O-N 2.92Å; L301-I304 PolarHBondContact O-N 3.45Å; E302-I304 VanDerWaalsContact C-N 3.32Å; E302-I304 PolarHBondContact O-N 3.37Å; I304-N307 PolarHBondContact O-N 2.76Å; I304-I308 HydrophobicContact CG2-CD1 3.86Å; I304-I308 WeakPolarHBondContact O-CG1 3.4Å; I304-I308 PolarHBondContact O-N 3.39Å
305	T	65.6	Low	60.8	Low	26 Å²	26	73.8 Å²	73.8	16%	0.16	42%	0.424	C	S	.	.	H	α-helix	trans	-66.8	-39.6	179.3	52.8	0	0	0	0	112.4	V268 L275 L301 E302 N307 I308 Q309	V268-T305 HydrophobicContact CG1-CG2 4.31Å; L275-T305 HydrophobicContact CD2-CG2 4.11Å; L301-T305 WeakPolarHBondContact O-CG2 3.36Å; L301-T305 PolarHBondContact O-N 2.9Å; L301-T305 PolarHBondContact O-OG1 2.94Å; E302-T305 WeakPolarHBondContact CA-OG1 3.43Å; E302-T305 PolarHBondContact O-N 2.95Å; E302-T305 PolarHBondContact O-OG1 2.99Å; E302-T305 VanDerWaalsContact O-OG1 3.08Å; T305-N307 PolarHBondContact O-N 2.62Å; T305-I308 PolarHBondContact O-N 3.46Å; T305-Q309 WeakPolarHBondContact O-CB 3.22Å; T305-Q309 VanDerWaalsContact O-CG 3.27Å; T305-Q309 WeakPolarHBondContact O-CG 3.47Å; T305-Q309 PolarHBondContact O-N 3.08Å
306	A	63.5	Low	62.5	Low	43 Å²	43	75.1 Å²	75.1	36%	0.355	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-41.1	173.8	0	0	0	0	0	112.2	E302 Q309 S310	E302-A306 VanDerWaalsContact O-CB 3.25Å; E302-A306 WeakPolarHBondContact O-CB 3.47Å; E302-A306 PolarHBondContact O-N 3.29Å; A306-Q309 PolarHBondContact O-N 2.81Å; A306-S310 PolarHBondContact O-N 2.83Å
307	N	63.7	Low	64.4	Low	22 Å²	22	71 Å²	71	12%	0.118	39%	0.393	C	S	.	.	H	α-helix	trans	-68.3	-38.4	176	-84.9	-76	0	0	0	112.8	L288 N303 I304 T305 Q309 S310 F313	L288-N307 HydrophobicContact CD2-CB 3.73Å; L288-N307 HydrophobicContact CG-CB 4.44Å; N303-N307 WeakPolarHBondContact O-CB 3.42Å; N303-N307 PolarHBondContact O-N 3.27Å; N303-N307 VanDerWaalsContact O-N 3.11Å; N303-N307 PolarHBondContact O-ND2 3.22Å; I304-N307 PolarHBondContact O-N 2.76Å; T305-N307 PolarHBondContact O-N 2.62Å; N307-Q309 VanDerWaalsContact C-N 3.34Å; N307-S310 VanDerWaalsContact O-CB 3.23Å; N307-S310 WeakPolarHBondContact O-CB 3.5Å; N307-S310 PolarHBondContact O-N 3.3Å; N307-S310 PolarHBondContact O-OG 2.63Å; N307-F313 VanDerWaalsContact O-CB 3.25Å; N307-F313 WeakPolarHBondContact O-CB 3.43Å
308	I	69.1	Low	66	Low	16 Å²	16	71 Å²	71	8%	0.082	38%	0.383	C	S	.	.	H	α-helix	trans	-67.7	-34.5	173.7	-69.3	170	0	0	0	111.7	V268 L271 L275 I304 T305 S310 F313	V268-I308 HydrophobicContact CG2-CG2 4.22Å; L271-I308 HydrophobicContact CD1-CG2 4.4Å; L275-I308 HydrophobicContact CD1-CD1 4.04Å; L275-I308 HydrophobicContact CD2-CD1 3.88Å; L275-I308 HydrophobicContact CG-CD1 4.47Å; I304-I308 HydrophobicContact CG2-CD1 3.86Å; I304-I308 WeakPolarHBondContact O-CG1 3.4Å; I304-I308 PolarHBondContact O-N 3.39Å; T305-I308 PolarHBondContact O-N 3.46Å; I308-S310 VanDerWaalsContact C-N 3.27Å; I308-S310 PolarHBondContact O-N 2.78Å; I308-F313 HydrophobicContact CB-CD1 4.5Å; I308-F313 HydrophobicContact CG2-CD1 4.21Å; I308-F313 HydrophobicContact CG2-CE1 4.02Å; I308-F313 VanDerWaalsContact O-CD1 3.27Å; I308-F313 WeakPolarHBondContact O-CD1 3.36Å
309	Q	63.3	Low	67.3	Low	117 Å²	117	68.7 Å²	68.7	55%	0.547	37%	0.373	S	S	.	.	H	α-helix	trans	-72.4	-19.4	174.4	-72.4	176.2	8.9	0	0	113.2	V268 T305 A306 N307	V268-Q309 HydrophobicContact CG2-CG 4.07Å; T305-Q309 WeakPolarHBondContact O-CB 3.22Å; T305-Q309 VanDerWaalsContact O-CG 3.27Å; T305-Q309 WeakPolarHBondContact O-CG 3.47Å; T305-Q309 PolarHBondContact O-N 3.08Å; A306-Q309 PolarHBondContact O-N 2.81Å; N307-Q309 VanDerWaalsContact C-N 3.34Å
310	S	69.2	Low	68.4	Low	28 Å²	28	68.6 Å²	68.6	20%	0.196	37%	0.368	C	S	.	.	S	Bend	trans	-59.1	148	-176.6	79.9	0	0	0	0	113.3	A306 N307 I308 Q312 F313 K314	A306-S310 PolarHBondContact O-N 2.83Å; N307-S310 VanDerWaalsContact O-CB 3.23Å; N307-S310 WeakPolarHBondContact O-CB 3.5Å; N307-S310 PolarHBondContact O-N 3.3Å; N307-S310 PolarHBondContact O-OG 2.63Å; I308-S310 VanDerWaalsContact C-N 3.27Å; I308-S310 PolarHBondContact O-N 2.78Å; S310-Q312 PolarHBondContact O-N 3.33Å; S310-F313 PolarHBondContact O-N 3.12Å; S310-F313 PolarHBondContact OG-N 2.72Å; S310-F313 VanDerWaalsContact OG-N 3.11Å; S310-K314 PolarHBondContact O-N 3.2Å
311	S	70.2	Confident	69.3	Low	86 Å²	86	64.5 Å²	64.5	60%	0.601	35%	0.347	S	S	*	.	H	α-helix	trans	-62.1	-31.9	172.9	52	0	0	0	0	112.5	K314 T315	S311-K314 PolarHBondContact O-N 3.29Å; S311-T315 PolarHBondContact O-N 3.28Å; S311-T315 PolarHBondContact O-OG1 3.28Å
312	Q	70.8	Confident	70.3	Confident	139 Å²	139	65.4 Å²	65.4	65%	0.65	35%	0.352	S	S	*	.	H	α-helix	trans	-65	-41.4	178	-61.3	-64.6	-5.5	0	0	111.9	S310 T316	S310-Q312 PolarHBondContact O-N 3.33Å; Q312-T316 WeakPolarHBondContact O-CB 3.18Å; Q312-T316 PolarHBondContact O-N 2.74Å; Q312-T316 PolarHBondContact O-OG1 2.94Å
313	F	71.7	Confident	71.2	Confident	74 Å²	74	61 Å²	61	33%	0.325	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-44.7	173.3	-178.6	-99.5	0	0	0	111.1	N307 I308 S310 T316 L317	N307-F313 VanDerWaalsContact O-CB 3.25Å; N307-F313 WeakPolarHBondContact O-CB 3.43Å; I308-F313 HydrophobicContact CB-CD1 4.5Å; I308-F313 HydrophobicContact CG2-CD1 4.21Å; I308-F313 HydrophobicContact CG2-CE1 4.02Å; I308-F313 VanDerWaalsContact O-CD1 3.27Å; I308-F313 WeakPolarHBondContact O-CD1 3.36Å; S310-F313 PolarHBondContact O-N 3.12Å; S310-F313 PolarHBondContact OG-N 2.72Å; S310-F313 VanDerWaalsContact OG-N 3.11Å; F313-T316 PolarHBondContact O-N 3.29Å; F313-L317 HydrophobicContact CE1-CD2 4.01Å; F313-L317 WeakPolarHBondContact O-CB 3.16Å; F313-L317 PolarHBondContact O-N 3.21Å
314	K	72.2	Confident	72.2	Confident	98 Å²	98	57.8 Å²	57.8	43%	0.426	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-47.8	178.9	-66.7	-179.9	-178	179.6	0	113.1	S310 S311 T316 L317 E318	S310-K314 PolarHBondContact O-N 3.2Å; S311-K314 PolarHBondContact O-N 3.29Å; K314-T316 VanDerWaalsContact C-N 3.32Å; K314-T316 PolarHBondContact O-N 3.44Å; K314-L317 PolarHBondContact O-N 2.89Å; K314-E318 WeakPolarHBondContact O-CB 3.34Å; K314-E318 VanDerWaalsContact O-CG 3.31Å; K314-E318 WeakPolarHBondContact O-CG 3.32Å; K314-E318 PolarHBondContact O-N 2.92Å
315	T	76.6	Confident	73	Confident	83 Å²	83	61.7 Å²	61.7	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-66.9	-33.2	176.6	-61.7	0	0	0	0	112.5	S311 S319	S311-T315 PolarHBondContact O-N 3.28Å; S311-T315 PolarHBondContact O-OG1 3.28Å; T315-S319 WeakPolarHBondContact O-CB 3.46Å; T315-S319 PolarHBondContact O-N 2.89Å
316	T	77.9	Confident	73.6	Confident	91 Å²	91	65.2 Å²	65.2	56%	0.558	35%	0.354	S	S	*	.	H	α-helix	trans	-69.3	-37.8	172.7	-60.1	0	0	0	0	111.3	Q312 F313 K314 S319 F320	Q312-T316 WeakPolarHBondContact O-CB 3.18Å; Q312-T316 PolarHBondContact O-N 2.74Å; Q312-T316 PolarHBondContact O-OG1 2.94Å; F313-T316 PolarHBondContact O-N 3.29Å; K314-T316 VanDerWaalsContact C-N 3.32Å; K314-T316 PolarHBondContact O-N 3.44Å; T316-S319 PolarHBondContact O-N 3.35Å; T316-F320 VanDerWaalsContact O-CB 3.24Å; T316-F320 WeakPolarHBondContact O-CB 3.37Å; T316-F320 PolarHBondContact O-N 2.89Å
317	L	77.6	Confident	74.2	Confident	16 Å²	16	63.9 Å²	63.9	8%	0.084	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-36.1	176.9	-177.6	62	0	0	0	112.2	L262 L266 F313 K314 S321	L262-L317 HydrophobicContact CB-CD1 3.91Å; L262-L317 HydrophobicContact CB-CD2 4.19Å; L262-L317 HydrophobicContact CB-CG 3.96Å; L262-L317 HydrophobicContact CD1-CD1 3.99Å; L266-L317 HydrophobicContact CB-CD2 4.27Å; L266-L317 HydrophobicContact CD1-CD1 3.74Å; L266-L317 HydrophobicContact CD1-CD2 3.8Å; L266-L317 HydrophobicContact CD1-CG 4.4Å; F313-L317 HydrophobicContact CE1-CD2 4.01Å; F313-L317 WeakPolarHBondContact O-CB 3.16Å; F313-L317 PolarHBondContact O-N 3.21Å; K314-L317 PolarHBondContact O-N 2.89Å; L317-S321 VanDerWaalsContact O-CB 3.28Å; L317-S321 WeakPolarHBondContact O-CB 3.46Å; L317-S321 PolarHBondContact O-N 2.87Å
318	E	75.1	Confident	74.9	Confident	85 Å²	85	70 Å²	70	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-53.5	170.1	-75.5	154.9	-161.6	0	0	110.3	N263 K314 F320 S321 D322	N263-E318 WeakPolarHBondContact ND2-CG 3.28Å; N263-E318 PolarHBondContact ND2-OE1 3.45Å; K314-E318 WeakPolarHBondContact O-CB 3.34Å; K314-E318 VanDerWaalsContact O-CG 3.31Å; K314-E318 WeakPolarHBondContact O-CG 3.32Å; K314-E318 PolarHBondContact O-N 2.92Å; E318-F320 VanDerWaalsContact C-N 3.32Å; E318-F320 PolarHBondContact O-N 3.01Å; E318-S321 WeakPolarHBondContact O-CA 3.44Å; E318-S321 WeakPolarHBondContact O-CB 3.26Å; E318-S321 PolarHBondContact O-N 2.79Å; E318-S321 PolarHBondContact O-OG 3.42Å; E318-D322 PolarHBondContact O-N 3.17Å
319	S	73.6	Confident	75.1	Confident	80 Å²	80	70.8 Å²	70.8	56%	0.559	38%	0.377	S	S	*	.	H	α-helix	trans	-58.7	-40.5	176.2	-172.8	0	0	0	0	112.5	T315 T316 D322 A323	T315-S319 WeakPolarHBondContact O-CB 3.46Å; T315-S319 PolarHBondContact O-N 2.89Å; T316-S319 PolarHBondContact O-N 3.35Å; S319-D322 PolarHBondContact O-N 3.06Å; S319-A323 VanDerWaalsContact O-CB 3.24Å; S319-A323 WeakPolarHBondContact O-CB 3.3Å; S319-A323 PolarHBondContact O-N 2.97Å
320	F	76.8	Confident	75.7	Confident	89 Å²	89	65.5 Å²	65.5	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-41	172.2	178.7	-84.8	0	0	0	111.9	L262 T316 E318 D322 A323 F324 L329	L262-F320 HydrophobicContact CD1-CD1 3.94Å; L262-F320 HydrophobicContact CD1-CE1 4.17Å; T316-F320 VanDerWaalsContact O-CB 3.24Å; T316-F320 WeakPolarHBondContact O-CB 3.37Å; T316-F320 PolarHBondContact O-N 2.89Å; E318-F320 VanDerWaalsContact C-N 3.32Å; E318-F320 PolarHBondContact O-N 3.01Å; F320-D322 VanDerWaalsContact C-N 3.32Å; F320-D322 PolarHBondContact O-N 3.09Å; F320-A323 PolarHBondContact O-N 2.93Å; F320-F324 HydrophobicContact CE1-CD2 4.37Å; F320-F324 VanDerWaalsContact O-CB 3.26Å; F320-F324 WeakPolarHBondContact O-CB 3.47Å; F320-F324 PolarHBondContact O-N 3.1Å; F320-L329 HydrophobicContact CD1-CD1 4.37Å; F320-L329 HydrophobicContact CD2-CD1 3.49Å; F320-L329 VanDerWaalsContact CD2-CD1 3.49Å; F320-L329 HydrophobicContact CE1-CD1 4.36Å; F320-L329 HydrophobicContact CE2-CD1 3.5Å; F320-L329 VanDerWaalsContact CE2-CD1 3.5Å; F320-L329 HydrophobicContact CG-CD1 3.96Å; F320-L329 HydrophobicContact CZ-CD1 3.94Å; F320-L329 WeakPolarHBondContact O-CD1 3.38Å
321	S	77.4	Confident	75.9	Confident	7 Å²	7	68.7 Å²	68.7	5%	0.049	37%	0.373	C	S	.	.	H	α-helix	trans	-64.3	-38.3	179.2	81.1	0	0	0	0	111.7	L317 E318 F324 R325	L317-S321 VanDerWaalsContact O-CB 3.28Å; L317-S321 WeakPolarHBondContact O-CB 3.46Å; L317-S321 PolarHBondContact O-N 2.87Å; E318-S321 WeakPolarHBondContact O-CA 3.44Å; E318-S321 WeakPolarHBondContact O-CB 3.26Å; E318-S321 PolarHBondContact O-N 2.79Å; E318-S321 PolarHBondContact O-OG 3.42Å; S321-F324 PolarHBondContact O-N 3.03Å; S321-R325 WeakPolarHBondContact O-CB 3.39Å; S321-R325 VanDerWaalsContact O-CD 3.32Å; S321-R325 WeakPolarHBondContact O-CD 3.43Å; S321-R325 WeakPolarHBondContact O-CG 3.23Å; S321-R325 PolarHBondContact O-N 3.26Å
322	D	79.5	Confident	76.4	Confident	83 Å²	83	68.4 Å²	68.4	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-77	-40.6	176.8	-75.4	-15.7	0	0	0	111.9	E318 S319 F320 F324 R325 T326	E318-D322 PolarHBondContact O-N 3.17Å; S319-D322 PolarHBondContact O-N 3.06Å; F320-D322 VanDerWaalsContact C-N 3.32Å; F320-D322 PolarHBondContact O-N 3.09Å; D322-F324 PolarHBondContact O-N 3.36Å; D322-R325 CarbonylContact O-C 3.58Å; D322-R325 PolarHBondContact O-N 3.27Å; D322-R325 VanDerWaalsContact O-N 3.07Å; D322-R325 VanDerWaalsContact OD1-CD 3.3Å; D322-R325 WeakPolarHBondContact OD1-CD 3.24Å; D322-R325 IonicContact OD1-CZ 2.76Å; D322-R325 IonicContact OD1-NE 3.83Å; D322-R325 IonicContact OD1-NH1 3.27Å; D322-R325 PolarHBondContact OD1-NH1 3.37Å; D322-T326 WeakPolarHBondContact O-CG2 3.43Å; D322-T326 PolarHBondContact O-N 3.29Å; D322-T326 PolarHBondContact O-OG1 3.02Å
323	A	79.8	Confident	76.4	Confident	24 Å²	24	62.7 Å²	62.7	20%	0.198	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-22.5	171.4	0	0	0	0	0	113.3	S319 F320 T326 E328 L329	S319-A323 VanDerWaalsContact O-CB 3.24Å; S319-A323 WeakPolarHBondContact O-CB 3.3Å; S319-A323 PolarHBondContact O-N 2.97Å; F320-A323 PolarHBondContact O-N 2.93Å; A323-T326 WeakPolarHBondContact CA-OG1 3.49Å; A323-T326 PolarHBondContact O-OG1 2.75Å; A323-E328 PolarHBondContact O-N 2.85Å; A323-E328 VanDerWaalsContact O-N 3.16Å; A323-L329 HydrophobicContact CB-CD1 3.99Å; A323-L329 HydrophobicContact CB-CD2 4.45Å; A323-L329 HydrophobicContact CB-CG 3.86Å; A323-L329 PolarHBondContact O-N 3.05Å; A323-L329 VanDerWaalsContact O-N 3.13Å
324	F	79.6	Confident	76.5	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.013	34%	0.342	C	S	.	.	H	α-helix	trans	-75.6	-49.2	167.1	-166.7	-73.5	0	0	0	110.3	F320 S321 D322 T326 G327 L329 L333 A346 G349 L351 F354	F320-F324 HydrophobicContact CE1-CD2 4.37Å; F320-F324 VanDerWaalsContact O-CB 3.26Å; F320-F324 WeakPolarHBondContact O-CB 3.47Å; F320-F324 PolarHBondContact O-N 3.1Å; S321-F324 PolarHBondContact O-N 3.03Å; D322-F324 PolarHBondContact O-N 3.36Å; F324-T326 VanDerWaalsContact C-N 3.27Å; F324-T326 PolarHBondContact O-N 2.97Å; F324-G327 WeakPolarHBondContact O-CA 3.47Å; F324-G327 PolarHBondContact O-N 3.17Å; F324-L329 HydrophobicContact CB-CD1 4.12Å; F324-L333 HydrophobicContact CD2-CD1 3.82Å; F324-L333 HydrophobicContact CE2-CD1 3.53Å; F324-L333 HydrophobicContact CZ-CD1 4.5Å; F324-A346 HydrophobicContact CE2-CB 4.44Å; F324-A346 HydrophobicContact CZ-CB 4.25Å; F324-G349 WeakPolarHBondContact O-CA 3.5Å; F324-L351 HydrophobicContact CD1-CD1 3.46Å; F324-L351 VanDerWaalsContact CD1-CD1 3.46Å; F324-L351 HydrophobicContact CD1-CG 3.69Å; F324-L351 HydrophobicContact CE1-CB 4.47Å; F324-L351 HydrophobicContact CE1-CD1 3.91Å; F324-L351 HydrophobicContact CE1-CG 3.87Å; F324-L351 HydrophobicContact CG-CD1 4.32Å; F324-L351 HydrophobicContact CG-CG 4.33Å; F324-F354 HydrophobicContact CE1-CB 4.41Å; F324-F354 AromaticContact CE2-CD1 3.89Å; F324-F354 HydrophobicContact CE2-CD1 3.89Å; F324-F354 HydrophobicContact CE2-CD2 4.13Å; F324-F354 AromaticContact CE2-CE1 3.96Å; F324-F354 HydrophobicContact CE2-CE1 3.96Å; F324-F354 HydrophobicContact CE2-CE2 4.21Å; F324-F354 AromaticContact CE2-CG 3.97Å; F324-F354 HydrophobicContact CE2-CG 3.97Å; F324-F354 HydrophobicContact CE2-CZ 4.12Å; F324-F354 HydrophobicContact CZ-CB 3.69Å; F324-F354 AromaticContact CZ-CD1 3.8Å; F324-F354 HydrophobicContact CZ-CD1 3.8Å; F324-F354 AromaticContact CZ-CD2 3.85Å; F324-F354 HydrophobicContact CZ-CD2 3.85Å; F324-F354 HydrophobicContact CZ-CE1 4.34Å; F324-F354 HydrophobicContact CZ-CE2 4.38Å; F324-F354 AromaticContact CZ-CG 3.53Å; F324-F354 HydrophobicContact CZ-CG 3.53Å
325	R	80	Confident	76.7	Confident	85 Å²	85	64.4 Å²	64.4	32%	0.321	36%	0.359	S	S	.	.	H	α-helix	trans	-59.8	-32.1	178.9	-74.1	158.7	170.1	172.9	-4.9	113.1	K259 S321 D322 G327 L351	K259-R325 PolarHBondContact O-NH2 3.44Å; K259-R325 VanDerWaalsContact O-NH2 3.09Å; S321-R325 WeakPolarHBondContact O-CB 3.39Å; S321-R325 VanDerWaalsContact O-CD 3.32Å; S321-R325 WeakPolarHBondContact O-CD 3.43Å; S321-R325 WeakPolarHBondContact O-CG 3.23Å; S321-R325 PolarHBondContact O-N 3.26Å; D322-R325 CarbonylContact O-C 3.58Å; D322-R325 PolarHBondContact O-N 3.27Å; D322-R325 VanDerWaalsContact O-N 3.07Å; D322-R325 VanDerWaalsContact OD1-CD 3.3Å; D322-R325 WeakPolarHBondContact OD1-CD 3.24Å; D322-R325 IonicContact OD1-CZ 2.76Å; D322-R325 IonicContact OD1-NE 3.83Å; D322-R325 IonicContact OD1-NH1 3.27Å; D322-R325 PolarHBondContact OD1-NH1 3.37Å; R325-G327 VanDerWaalsContact C-N 3.27Å; R325-L351 HydrophobicContact CG-CD1 4.03Å
326	T	77.7	Confident	76.5	Confident	100 Å²	100	67.3 Å²	67.3	61%	0.613	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.1	172.4	58.2	0	0	0	0	113.6	D322 A323 F324 E328	D322-T326 WeakPolarHBondContact O-CG2 3.43Å; D322-T326 PolarHBondContact O-N 3.29Å; D322-T326 PolarHBondContact O-OG1 3.02Å; A323-T326 WeakPolarHBondContact CA-OG1 3.49Å; A323-T326 PolarHBondContact O-OG1 2.75Å; F324-T326 VanDerWaalsContact C-N 3.27Å; F324-T326 PolarHBondContact O-N 2.97Å; T326-E328 PolarHBondContact O-N 3.43Å; T326-E328 WeakPolarHBondContact OG1-CB 3.21Å; T326-E328 PolarHBondContact OG1-N 3.48Å
327	G	76.5	Confident	76.4	Confident	16 Å²	16	69.6 Å²	69.6	17%	0.165	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	4.6	-172.6	0	0	0	0	0	114.2	F324 R325 L329 A330	F324-G327 WeakPolarHBondContact O-CA 3.47Å; F324-G327 PolarHBondContact O-N 3.17Å; R325-G327 VanDerWaalsContact C-N 3.27Å; G327-L329 VanDerWaalsContact C-N 3.29Å; G327-L329 PolarHBondContact O-N 3.42Å; G327-A330 WeakPolarHBondContact O-CB 3.32Å; G327-A330 PolarHBondContact O-N 2.78Å
328	E	79	Confident	76.1	Confident	149 Å²	149	70.9 Å²	70.9	70%	0.696	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-31	-177	-172.8	171	-179	0	0	112.5	A323 T326 A330 P331	A323-E328 PolarHBondContact O-N 2.85Å; A323-E328 VanDerWaalsContact O-N 3.16Å; T326-E328 PolarHBondContact O-N 3.43Å; T326-E328 WeakPolarHBondContact OG1-CB 3.21Å; T326-E328 PolarHBondContact OG1-N 3.48Å; E328-A330 PolarHBondContact O-N 3.11Å; E328-P331 VanDerWaalsContact O-CD 3.24Å; E328-P331 WeakPolarHBondContact O-CD 3.38Å
329	L	73.9	Confident	76.3	Confident	34 Å²	34	68 Å²	68	18%	0.178	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-10.2	172.5	-69.5	175.1	0	0	0	114.2	F320 A323 F324 G327 V332 L333	F320-L329 HydrophobicContact CD1-CD1 4.37Å; F320-L329 HydrophobicContact CD2-CD1 3.49Å; F320-L329 VanDerWaalsContact CD2-CD1 3.49Å; F320-L329 HydrophobicContact CE1-CD1 4.36Å; F320-L329 HydrophobicContact CE2-CD1 3.5Å; F320-L329 VanDerWaalsContact CE2-CD1 3.5Å; F320-L329 HydrophobicContact CG-CD1 3.96Å; F320-L329 HydrophobicContact CZ-CD1 3.94Å; F320-L329 WeakPolarHBondContact O-CD1 3.38Å; A323-L329 HydrophobicContact CB-CD1 3.99Å; A323-L329 HydrophobicContact CB-CD2 4.45Å; A323-L329 HydrophobicContact CB-CG 3.86Å; A323-L329 PolarHBondContact O-N 3.05Å; A323-L329 VanDerWaalsContact O-N 3.13Å; F324-L329 HydrophobicContact CB-CD1 4.12Å; G327-L329 VanDerWaalsContact C-N 3.29Å; G327-L329 PolarHBondContact O-N 3.42Å; L329-V332 WeakPolarHBondContact O-CB 3.21Å; L329-V332 PolarHBondContact O-N 3.32Å; L329-V332 VanDerWaalsContact O-N 3.08Å; L329-L333 HydrophobicContact CB-CD1 4Å; L329-L333 HydrophobicContact CB-CG 4.46Å; L329-L333 WeakPolarHBondContact O-CG 3.37Å; L329-L333 PolarHBondContact O-N 2.99Å
330	A	73.9	Confident	76.5	Confident	6 Å²	6	71.9 Å²	71.9	5%	0.05	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-36.1	-171.6	0	0	0	0	0	115.7	G327 E328 V332 L333 A334 A346 R347	G327-A330 WeakPolarHBondContact O-CB 3.32Å; G327-A330 PolarHBondContact O-N 2.78Å; E328-A330 PolarHBondContact O-N 3.11Å; A330-V332 VanDerWaalsContact C-N 3.3Å; A330-V332 PolarHBondContact O-N 3.36Å; A330-L333 PolarHBondContact O-N 2.91Å; A330-A334 WeakPolarHBondContact O-CB 3.37Å; A330-A334 PolarHBondContact O-N 2.86Å; A330-A346 HydrophobicContact CB-CB 4.02Å; A330-R347 HydrophobicContact CB-CB 4.25Å; A330-R347 HydrophobicContact CB-CG 3.58Å
331	P	75.3	Confident	76.7	Confident	94 Å²	94	75 Å²	75	61%	0.61	40%	0.398	S	S	*	.	H	α-helix	trans	-65.1	-34	172	-20.4	34.2	0	0	0	112.5	E328 Q335	E328-P331 VanDerWaalsContact O-CD 3.24Å; E328-P331 WeakPolarHBondContact O-CD 3.38Å; P331-Q335 PolarHBondContact O-N 3.3Å
332	V	78.8	Confident	76.9	Confident	81 Å²	81	74.6 Å²	74.6	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-71.4	-41.7	176.1	179.8	0	0	0	0	110.3	L329 A330 A334 Q335 F336	L329-V332 WeakPolarHBondContact O-CB 3.21Å; L329-V332 PolarHBondContact O-N 3.32Å; L329-V332 VanDerWaalsContact O-N 3.08Å; A330-V332 VanDerWaalsContact C-N 3.3Å; A330-V332 PolarHBondContact O-N 3.36Å; V332-A334 VanDerWaalsContact C-N 3.35Å; V332-A334 PolarHBondContact O-N 2.89Å; V332-Q335 WeakPolarHBondContact O-CB 2.99Å; V332-Q335 PolarHBondContact O-N 3.45Å; V332-Q335 VanDerWaalsContact O-N 3.15Å; V332-F336 HydrophobicContact CG1-CE2 4.07Å; V332-F336 VanDerWaalsContact O-CD2 3.22Å; V332-F336 WeakPolarHBondContact O-CD2 3.16Å
333	L	71.2	Confident	77	Confident	19 Å²	19	71.8 Å²	71.8	10%	0.099	38%	0.38	C	S	.	.	H	α-helix	trans	-65.9	-35.8	177.1	-70.5	164.5	0	0	0	112.3	F324 L329 A330 Q335 F336 L338 A346 F354	F324-L333 HydrophobicContact CD2-CD1 3.82Å; F324-L333 HydrophobicContact CE2-CD1 3.53Å; F324-L333 HydrophobicContact CZ-CD1 4.5Å; L329-L333 HydrophobicContact CB-CD1 4Å; L329-L333 HydrophobicContact CB-CG 4.46Å; L329-L333 WeakPolarHBondContact O-CG 3.37Å; L329-L333 PolarHBondContact O-N 2.99Å; A330-L333 PolarHBondContact O-N 2.91Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.07Å; L333-F336 PolarHBondContact O-N 3.22Å; L333-F336 VanDerWaalsContact O-N 3.09Å; L333-L338 HydrophobicContact CB-CD1 4.32Å; L333-L338 HydrophobicContact CD2-CD1 3.74Å; L333-A346 HydrophobicContact CB-CB 4.24Å; L333-A346 HydrophobicContact CD1-CB 3.62Å; L333-F354 HydrophobicContact CD1-CE2 4.47Å; L333-F354 HydrophobicContact CD2-CE2 4.44Å; L333-F354 HydrophobicContact CD2-CZ 4.08Å
334	A	73.7	Confident	77.1	Confident	41 Å²	41	74.9 Å²	74.9	34%	0.339	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-31.4	172.4	0	0	0	0	0	112.8	A330 V332 F336 N337	A330-A334 WeakPolarHBondContact O-CB 3.37Å; A330-A334 PolarHBondContact O-N 2.86Å; V332-A334 VanDerWaalsContact C-N 3.35Å; V332-A334 PolarHBondContact O-N 2.89Å; A334-F336 PolarHBondContact O-N 3.39Å; A334-N337 PolarHBondContact O-N 2.87Å; A334-N337 VanDerWaalsContact O-N 3.13Å; A334-N337 PolarHBondContact O-OD1 3.08Å
335	Q	77.5	Confident	77.3	Confident	166 Å²	166	74.9 Å²	74.9	78%	0.776	39%	0.391	S	S	*	.	H	α-helix	trans	-61.6	-25.1	174.2	-163.7	74.4	43.2	0	0	112.5	P331 V332 L333	P331-Q335 PolarHBondContact O-N 3.3Å; V332-Q335 WeakPolarHBondContact O-CB 2.99Å; V332-Q335 PolarHBondContact O-N 3.45Å; V332-Q335 VanDerWaalsContact O-N 3.15Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.07Å
336	F	72.1	Confident	77.4	Confident	145 Å²	145	70.9 Å²	70.9	64%	0.636	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-0.3	178.3	-68.6	-77.2	0	0	0	114.2	V332 L333 A334 L338	V332-F336 HydrophobicContact CG1-CE2 4.07Å; V332-F336 VanDerWaalsContact O-CD2 3.22Å; V332-F336 WeakPolarHBondContact O-CD2 3.16Å; L333-F336 PolarHBondContact O-N 3.22Å; L333-F336 VanDerWaalsContact O-N 3.09Å; A334-F336 PolarHBondContact O-N 3.39Å; F336-L338 VanDerWaalsContact C-N 3.31Å; F336-L338 HydrophobicContact CB-CD1 4.33Å; F336-L338 HydrophobicContact CB-CD2 3.96Å; F336-L338 HydrophobicContact CB-CG 3.87Å; F336-L338 PolarHBondContact O-N 3.48Å
337	N	75.4	Confident	77.5	Confident	139 Å²	139	73.9 Å²	73.9	74%	0.743	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	45.7	179.5	-74.5	-22.3	0	0	0	113.8	A334 G339	A334-N337 PolarHBondContact O-N 2.87Å; A334-N337 VanDerWaalsContact O-N 3.13Å; A334-N337 PolarHBondContact O-OD1 3.08Å; N337-G339 PolarHBondContact O-N 3.45Å; N337-G339 VanDerWaalsContact O-N 3.08Å
338	L	72.1	Confident	77.7	Confident	43 Å²	43	81.6 Å²	81.6	23%	0.225	40%	0.4	C	S	.	.			trans	-70.1	-6	-175.5	-59.8	175.5	0	0	0	113.8	L333 F336 A342 F354 L358 T361	L333-L338 HydrophobicContact CB-CD1 4.32Å; L333-L338 HydrophobicContact CD2-CD1 3.74Å; F336-L338 VanDerWaalsContact C-N 3.31Å; F336-L338 HydrophobicContact CB-CD1 4.33Å; F336-L338 HydrophobicContact CB-CD2 3.96Å; F336-L338 HydrophobicContact CB-CG 3.87Å; F336-L338 PolarHBondContact O-N 3.48Å; L338-A342 HydrophobicContact CB-CB 3.83Å; L338-F354 HydrophobicContact CD1-CE2 3.82Å; L338-F354 HydrophobicContact CD1-CZ 3.76Å; L338-L358 HydrophobicContact CB-CD2 4.04Å; L338-L358 HydrophobicContact CD2-CD2 4.14Å; L338-L358 HydrophobicContact CG-CD2 4.46Å; L338-T361 PolarHBondContact O-OG1 2.89Å
339	G	78.1	Confident	77.6	Confident	23 Å²	23	74.8 Å²	74.8	24%	0.237	37%	0.371	C	S	.	.			trans	105.4	143.3	175.6	0	0	0	0	0	111.2	N337 K341 A342 D343	N337-G339 PolarHBondContact O-N 3.45Å; N337-G339 VanDerWaalsContact O-N 3.08Å; G339-K341 PolarHBondContact O-N 2.91Å; G339-A342 WeakPolarHBondContact O-CA 3.41Å; G339-A342 WeakPolarHBondContact O-CB 3.27Å; G339-A342 PolarHBondContact O-N 3.04Å; G339-D343 PolarHBondContact O-N 3.49Å
340	M	79	Confident	78	Confident	163 Å²	163	75.2 Å²	75.2	80%	0.803	37%	0.373	S	S	*	.	H	α-helix	trans	-50.2	-33.7	-168.3	-63.7	174	67	0	0	114.9	D343 E344	M340-D343 WeakPolarHBondContact CA-OD2 3.49Å; M340-D343 PolarHBondContact N-OD2 2.92Å; M340-E344 WeakPolarHBondContact O-CB 3.13Å; M340-E344 PolarHBondContact O-N 3.24Å
341	K	79.9	Confident	78.2	Confident	153 Å²	153	76.2 Å²	76.2	67%	0.665	38%	0.378	S	S	*	.	H	α-helix	trans	-68.8	-39.9	176.1	-65.4	174.1	-176.6	165.7	0	112.3	G339 A345 A357	G339-K341 PolarHBondContact O-N 2.91Å; K341-A345 WeakPolarHBondContact O-CB 3.44Å; K341-A345 PolarHBondContact O-N 2.9Å; K341-A357 HydrophobicContact CB-CB 3.74Å
342	A	81.3	Confident	78.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-70.7	-42.5	175	0	0	0	0	0	110.4	L338 G339 E344 A345 A346 F354 A357	L338-A342 HydrophobicContact CB-CB 3.83Å; G339-A342 WeakPolarHBondContact O-CA 3.41Å; G339-A342 WeakPolarHBondContact O-CB 3.27Å; G339-A342 PolarHBondContact O-N 3.04Å; A342-E344 VanDerWaalsContact C-N 3.27Å; A342-E344 PolarHBondContact O-N 3.22Å; A342-A345 PolarHBondContact O-N 3.39Å; A342-A346 VanDerWaalsContact O-CB 3.32Å; A342-A346 WeakPolarHBondContact O-CB 3.45Å; A342-A346 PolarHBondContact O-N 2.96Å; A342-F354 HydrophobicContact CB-CD2 3.88Å; A342-F354 HydrophobicContact CB-CE2 3.97Å; A342-A357 HydrophobicContact CB-CB 3.85Å
343	D	81.9	Confident	78.6	Confident	24 Å²	24	73.4 Å²	73.4	13%	0.128	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-33	177.1	-49.5	-40.8	0	0	0	112.1	G339 M340 R347	G339-D343 PolarHBondContact O-N 3.49Å; M340-D343 WeakPolarHBondContact CA-OD2 3.49Å; M340-D343 PolarHBondContact N-OD2 2.92Å; D343-R347 WeakPolarHBondContact O-CG 3.44Å; D343-R347 PolarHBondContact O-N 3.13Å; D343-R347 PolarHBondContact O-NE 3.21Å
344	E	83.4	Confident	79.1	Confident	88 Å²	88	74 Å²	74	41%	0.411	37%	0.365	S	S	.	.	H	α-helix	trans	-75	-42.2	172.1	-177.7	168.6	-159.1	0	0	112.5	M340 A342 A346 R347 R348	M340-E344 WeakPolarHBondContact O-CB 3.13Å; M340-E344 PolarHBondContact O-N 3.24Å; A342-E344 VanDerWaalsContact C-N 3.27Å; A342-E344 PolarHBondContact O-N 3.22Å; E344-A346 VanDerWaalsContact C-N 3.32Å; E344-A346 PolarHBondContact O-N 2.79Å; E344-R347 PolarHBondContact O-N 2.8Å; E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 2.97Å; E344-R348 IonicContact OE1-CZ 2.78Å; E344-R348 IonicContact OE1-NE 3.64Å; E344-R348 PolarHBondContact OE1-NE 3.37Å; E344-R348 IonicContact OE1-NH2 3.42Å; E344-R348 PolarHBondContact OE1-NH2 2.83Å
345	A	82.3	Confident	79.5	Confident	3 Å²	3	74.1 Å²	74.1	3%	0.025	36%	0.363	C	S	.	.	H	α-helix	trans	-61.9	-40.1	175.9	0	0	0	0	0	112.4	K341 A342 R348 G349 D350 A353 F354	K341-A345 WeakPolarHBondContact O-CB 3.44Å; K341-A345 PolarHBondContact O-N 2.9Å; A342-A345 PolarHBondContact O-N 3.39Å; A345-R348 CarbonylContact O-C 3.53Å; A345-R348 PolarHBondContact O-N 2.64Å; A345-G349 PolarHBondContact O-N 3.23Å; A345-G349 VanDerWaalsContact O-N 3.09Å; A345-D350 PolarHBondContact O-N 2.86Å; A345-A353 HydrophobicContact CB-CB 3.67Å; A345-F354 HydrophobicContact CB-CB 3.79Å; A345-F354 VanDerWaalsContact CB-N 3.34Å
346	A	82.2	Confident	79.7	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-47.4	172.2	0	0	0	0	0	111.9	F324 A330 L333 A342 E344 R348 G349 F354	F324-A346 HydrophobicContact CE2-CB 4.44Å; F324-A346 HydrophobicContact CZ-CB 4.25Å; A330-A346 HydrophobicContact CB-CB 4.02Å; L333-A346 HydrophobicContact CB-CB 4.24Å; L333-A346 HydrophobicContact CD1-CB 3.62Å; A342-A346 VanDerWaalsContact O-CB 3.32Å; A342-A346 WeakPolarHBondContact O-CB 3.45Å; A342-A346 PolarHBondContact O-N 2.96Å; E344-A346 VanDerWaalsContact C-N 3.32Å; E344-A346 PolarHBondContact O-N 2.79Å; A346-R348 PolarHBondContact O-N 2.87Å; A346-G349 PolarHBondContact O-N 3.09Å; A346-F354 HydrophobicContact CB-CD2 4.41Å
347	R	80.5	Confident	80.2	Confident	164 Å²	164	64.2 Å²	64.2	62%	0.619	32%	0.324	S	S	*	.	H	α-helix	trans	-62	-21.1	174.5	-80.8	176.1	-76.2	159.3	-2.6	114	A330 D343 E344	A330-R347 HydrophobicContact CB-CB 4.25Å; A330-R347 HydrophobicContact CB-CG 3.58Å; D343-R347 WeakPolarHBondContact O-CG 3.44Å; D343-R347 PolarHBondContact O-N 3.13Å; D343-R347 PolarHBondContact O-NE 3.21Å; E344-R347 PolarHBondContact O-N 2.8Å
348	R	79.9	Confident	80.3	Confident	177 Å²	177	60.4 Å²	60.4	67%	0.668	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.5	176	-67.1	172.7	-179.8	-143.9	6.9	113.5	E344 A345 A346 D350	E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 2.97Å; E344-R348 IonicContact OE1-CZ 2.78Å; E344-R348 IonicContact OE1-NE 3.64Å; E344-R348 PolarHBondContact OE1-NE 3.37Å; E344-R348 IonicContact OE1-NH2 3.42Å; E344-R348 PolarHBondContact OE1-NH2 2.83Å; A345-R348 CarbonylContact O-C 3.53Å; A345-R348 PolarHBondContact O-N 2.64Å; A346-R348 PolarHBondContact O-N 2.87Å; R348-D350 PolarHBondContact O-N 3.02Å
349	G	77.8	Confident	80.6	Confident	7 Å²	7	64.3 Å²	64.3	7%	0.072	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	25.9	-173.8	0	0	0	0	0	114.7	F324 A345 A346	F324-G349 WeakPolarHBondContact O-CA 3.5Å; A345-G349 PolarHBondContact O-N 3.23Å; A345-G349 VanDerWaalsContact O-N 3.09Å; A346-G349 PolarHBondContact O-N 3.09Å
350	D	81.4	Confident	80	Confident	42 Å²	42	64.6 Å²	64.6	23%	0.225	32%	0.323	C	S	.	.			trans	-102.5	97.9	-176.9	-160.3	-61.8	0	0	0	111.9	K259 A345 R348 V352 A353 F354	K259-D350 IonicContact NZ-OD2 3.75Å; K259-D350 PolarHBondContact NZ-OD2 2.99Å; A345-D350 PolarHBondContact O-N 2.86Å; R348-D350 PolarHBondContact O-N 3.02Å; D350-V352 PolarHBondContact O-N 2.85Å; D350-V352 PolarHBondContact OD1-N 3.22Å; D350-V352 VanDerWaalsContact OD1-N 3.11Å; D350-A353 HydrophobicContact CB-CB 4Å; D350-A353 PolarHBondContact O-N 3.01Å; D350-A353 PolarHBondContact OD1-N 3.38Å; D350-F354 WeakPolarHBondContact O-CB 3.44Å; D350-F354 PolarHBondContact O-N 2.83Å
351	L	78.7	Confident	79.1	Confident	28 Å²	28	59.4 Å²	59.4	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-28.8	-177.6	-70.1	79.4	0	0	0	112.8	L262 F324 R325 F354 S355	L262-L351 HydrophobicContact CD1-CD2 3.73Å; L262-L351 HydrophobicContact CD2-CD2 3.93Å; L262-L351 HydrophobicContact CG-CD2 3.55Å; F324-L351 HydrophobicContact CD1-CD1 3.46Å; F324-L351 VanDerWaalsContact CD1-CD1 3.46Å; F324-L351 HydrophobicContact CD1-CG 3.69Å; F324-L351 HydrophobicContact CE1-CB 4.47Å; F324-L351 HydrophobicContact CE1-CD1 3.91Å; F324-L351 HydrophobicContact CE1-CG 3.87Å; F324-L351 HydrophobicContact CG-CD1 4.32Å; F324-L351 HydrophobicContact CG-CG 4.33Å; R325-L351 HydrophobicContact CG-CD1 4.03Å; L351-F354 PolarHBondContact O-N 3.41Å; L351-S355 WeakPolarHBondContact O-CB 3.49Å; L351-S355 PolarHBondContact O-N 2.83Å; L351-S355 PolarHBondContact O-OG 3.26Å
352	V	80.3	Confident	78	Confident	72 Å²	72	56.9 Å²	56.9	44%	0.436	30%	0.298	S	S	.	.	H	α-helix	trans	-80.4	-39.9	-178.4	-177.5	0	0	0	0	110.3	V260 D350 F354 S355 N356	V260-V352 HydrophobicContact CG2-CG2 4.4Å; D350-V352 PolarHBondContact O-N 2.85Å; D350-V352 PolarHBondContact OD1-N 3.22Å; D350-V352 VanDerWaalsContact OD1-N 3.11Å; V352-F354 PolarHBondContact O-N 3.45Å; V352-S355 PolarHBondContact O-OG 3.15Å; V352-S355 VanDerWaalsContact O-OG 3.13Å; V352-N356 WeakPolarHBondContact O-CB 3.29Å; V352-N356 PolarHBondContact O-N 2.96Å; V352-N356 VanDerWaalsContact O-N 3.13Å; V352-N356 PolarHBondContact O-ND2 3.03Å; V352-N356 VanDerWaalsContact O-ND2 3.14Å
353	A	81.7	Confident	76.7	Confident	44 Å²	44	62.7 Å²	62.7	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-35.6	169	0	0	0	0	0	111.6	A345 D350 A357	A345-A353 HydrophobicContact CB-CB 3.67Å; D350-A353 HydrophobicContact CB-CB 4Å; D350-A353 PolarHBondContact O-N 3.01Å; D350-A353 PolarHBondContact OD1-N 3.38Å; A353-A357 VanDerWaalsContact O-CB 3.31Å; A353-A357 WeakPolarHBondContact O-CB 3.27Å; A353-A357 PolarHBondContact O-N 2.61Å
354	F	82.4	Confident	75.2	Confident	31 Å²	31	67.7 Å²	67.7	14%	0.136	35%	0.354	C	S	.	.	H	α-helix	trans	-71.3	-45.6	179.4	179.6	-104.1	0	0	0	112.9	F324 L333 L338 A342 A345 A346 D350 L351 V352 N356 A357 L358	F324-F354 HydrophobicContact CE1-CB 4.41Å; F324-F354 AromaticContact CE2-CD1 3.89Å; F324-F354 HydrophobicContact CE2-CD1 3.89Å; F324-F354 HydrophobicContact CE2-CD2 4.13Å; F324-F354 AromaticContact CE2-CE1 3.96Å; F324-F354 HydrophobicContact CE2-CE1 3.96Å; F324-F354 HydrophobicContact CE2-CE2 4.21Å; F324-F354 AromaticContact CE2-CG 3.97Å; F324-F354 HydrophobicContact CE2-CG 3.97Å; F324-F354 HydrophobicContact CE2-CZ 4.12Å; F324-F354 HydrophobicContact CZ-CB 3.69Å; F324-F354 AromaticContact CZ-CD1 3.8Å; F324-F354 HydrophobicContact CZ-CD1 3.8Å; F324-F354 AromaticContact CZ-CD2 3.85Å; F324-F354 HydrophobicContact CZ-CD2 3.85Å; F324-F354 HydrophobicContact CZ-CE1 4.34Å; F324-F354 HydrophobicContact CZ-CE2 4.38Å; F324-F354 AromaticContact CZ-CG 3.53Å; F324-F354 HydrophobicContact CZ-CG 3.53Å; L333-F354 HydrophobicContact CD1-CE2 4.47Å; L333-F354 HydrophobicContact CD2-CE2 4.44Å; L333-F354 HydrophobicContact CD2-CZ 4.08Å; L338-F354 HydrophobicContact CD1-CE2 3.82Å; L338-F354 HydrophobicContact CD1-CZ 3.76Å; A342-F354 HydrophobicContact CB-CD2 3.88Å; A342-F354 HydrophobicContact CB-CE2 3.97Å; A345-F354 HydrophobicContact CB-CB 3.79Å; A345-F354 VanDerWaalsContact CB-N 3.34Å; A346-F354 HydrophobicContact CB-CD2 4.41Å; D350-F354 WeakPolarHBondContact O-CB 3.44Å; D350-F354 PolarHBondContact O-N 2.83Å; L351-F354 PolarHBondContact O-N 3.41Å; V352-F354 PolarHBondContact O-N 3.45Å; F354-N356 VanDerWaalsContact C-N 3.34Å; F354-N356 PolarHBondContact O-N 3.41Å; F354-A357 WeakPolarHBondContact O-CB 3.38Å; F354-A357 PolarHBondContact O-N 2.82Å; F354-L358 HydrophobicContact CD1-CD1 3.96Å; F354-L358 HydrophobicContact CE1-CD1 3.49Å; F354-L358 VanDerWaalsContact CE1-CD1 3.49Å; F354-L358 HydrophobicContact CE1-CG 4.37Å; F354-L358 HydrophobicContact CE2-CD1 4.47Å; F354-L358 HydrophobicContact CZ-CD1 3.79Å; F354-L358 HydrophobicContact CZ-CG 4.36Å; F354-L358 PolarHBondContact O-N 2.93Å
355	S	81.7	Confident	73.5	Confident	44 Å²	44	69 Å²	69	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-41.4	175.4	63.1	0	0	0	0	111.8	L351 V352 A357 L358 Q359	L351-S355 WeakPolarHBondContact O-CB 3.49Å; L351-S355 PolarHBondContact O-N 2.83Å; L351-S355 PolarHBondContact O-OG 3.26Å; V352-S355 PolarHBondContact O-OG 3.15Å; V352-S355 VanDerWaalsContact O-OG 3.13Å; S355-A357 VanDerWaalsContact C-N 3.33Å; S355-A357 PolarHBondContact O-N 3.16Å; S355-L358 PolarHBondContact O-N 3.31Å; S355-Q359 VanDerWaalsContact O-CG 3.3Å; S355-Q359 WeakPolarHBondContact O-CG 2.89Å; S355-Q359 PolarHBondContact O-N 3.5Å
356	N	82.6	Confident	71.5	Confident	95 Å²	95	74.6 Å²	74.6	51%	0.508	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-36.8	174.1	-68.4	-17.2	0	0	0	112.2	V352 F354 G360	V352-N356 WeakPolarHBondContact O-CB 3.29Å; V352-N356 PolarHBondContact O-N 2.96Å; V352-N356 VanDerWaalsContact O-N 3.13Å; V352-N356 PolarHBondContact O-ND2 3.03Å; V352-N356 VanDerWaalsContact O-ND2 3.14Å; F354-N356 VanDerWaalsContact C-N 3.34Å; F354-N356 PolarHBondContact O-N 3.41Å; N356-G360 PolarHBondContact O-N 2.88Å; N356-G360 VanDerWaalsContact O-N 3.12Å
357	A	80.6	Confident	69.2	Low	8 Å²	8	79.2 Å²	79.2	7%	0.066	44%	0.435	C	S	.	.	H	α-helix	trans	-66.9	-46.5	175.6	0	0	0	0	0	112.1	K341 A342 A353 F354 S355 Q359 G360 T361	K341-A357 HydrophobicContact CB-CB 3.74Å; A342-A357 HydrophobicContact CB-CB 3.85Å; A353-A357 VanDerWaalsContact O-CB 3.31Å; A353-A357 WeakPolarHBondContact O-CB 3.27Å; A353-A357 PolarHBondContact O-N 2.61Å; F354-A357 WeakPolarHBondContact O-CB 3.38Å; F354-A357 PolarHBondContact O-N 2.82Å; S355-A357 VanDerWaalsContact C-N 3.33Å; S355-A357 PolarHBondContact O-N 3.16Å; A357-Q359 PolarHBondContact O-N 3.49Å; A357-G360 WeakPolarHBondContact O-CA 3.33Å; A357-G360 PolarHBondContact O-N 2.8Å; A357-G360 VanDerWaalsContact O-N 3.1Å; A357-T361 PolarHBondContact O-N 2.99Å; A357-T361 PolarHBondContact O-OG1 2.95Å
358	L	78.5	Confident	66.8	Low	58 Å²	58	80.3 Å²	80.3	30%	0.304	45%	0.447	S	S	.	.	H	α-helix	trans	-61.5	-41	176.7	-72.7	175.8	0	0	0	112.6	L338 F354 S355 G360 T361 T362	L338-L358 HydrophobicContact CB-CD2 4.04Å; L338-L358 HydrophobicContact CD2-CD2 4.14Å; L338-L358 HydrophobicContact CG-CD2 4.46Å; F354-L358 HydrophobicContact CD1-CD1 3.96Å; F354-L358 HydrophobicContact CE1-CD1 3.49Å; F354-L358 VanDerWaalsContact CE1-CD1 3.49Å; F354-L358 HydrophobicContact CE1-CG 4.37Å; F354-L358 HydrophobicContact CE2-CD1 4.47Å; F354-L358 HydrophobicContact CZ-CD1 3.79Å; F354-L358 HydrophobicContact CZ-CG 4.36Å; F354-L358 PolarHBondContact O-N 2.93Å; S355-L358 PolarHBondContact O-N 3.31Å; L358-G360 VanDerWaalsContact C-N 3.26Å; L358-G360 PolarHBondContact O-N 3.05Å; L358-T361 PolarHBondContact O-N 2.86Å; L358-T362 PolarHBondContact O-N 3Å; L358-T362 VanDerWaalsContact O-N 3.14Å; L358-T362 PolarHBondContact O-OG1 3.27Å
359	Q	77.6	Confident	64.7	Low	125 Å²	125	77.7 Å²	77.7	58%	0.584	45%	0.453	S	S	*	.	H	α-helix	trans	-61.1	-37.2	173.9	-72.4	173.5	26.2	0	0	111.4	S355 A357	S355-Q359 VanDerWaalsContact O-CG 3.3Å; S355-Q359 WeakPolarHBondContact O-CG 2.89Å; S355-Q359 PolarHBondContact O-N 3.5Å; A357-Q359 PolarHBondContact O-N 3.49Å
360	G	66.9	Low	62.5	Low	30 Å²	30	82.1 Å²	82.1	31%	0.309	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-54.4	171.8	0	0	0	0	0	113.5	N356 A357 L358 T362 I363	N356-G360 PolarHBondContact O-N 2.88Å; N356-G360 VanDerWaalsContact O-N 3.12Å; A357-G360 WeakPolarHBondContact O-CA 3.33Å; A357-G360 PolarHBondContact O-N 2.8Å; A357-G360 VanDerWaalsContact O-N 3.1Å; L358-G360 VanDerWaalsContact C-N 3.26Å; L358-G360 PolarHBondContact O-N 3.05Å; G360-T362 PolarHBondContact O-N 3.38Å; G360-T362 VanDerWaalsContact O-N 3.12Å; G360-I363 PolarHBondContact O-N 2.82Å
361	T	59.3	Low	60.4	Low	53 Å²	53	88.2 Å²	88.2	33%	0.325	52%	0.516	S	S	.	.	H	α-helix	trans	-56.4	-31.5	-178.8	-51.6	0	0	0	0	112.5	L338 A357 L358 I363 T365	L338-T361 PolarHBondContact O-OG1 2.89Å; A357-T361 PolarHBondContact O-N 2.99Å; A357-T361 PolarHBondContact O-OG1 2.95Å; L358-T361 PolarHBondContact O-N 2.86Å; T361-I363 VanDerWaalsContact C-N 3.28Å; T361-I363 PolarHBondContact O-N 3Å; T361-T365 PolarHBondContact O-OG1 3.05Å
362	T	56.9	Low	58.3	Low	101 Å²	101	94.1 Å²	94.1	62%	0.62	55%	0.547	S	S	*	.	H	α-helix	trans	-64.2	-29.9	177.4	-54.9	0	0	0	0	113	L358 G360	L358-T362 PolarHBondContact O-N 3Å; L358-T362 VanDerWaalsContact O-N 3.14Å; L358-T362 PolarHBondContact O-OG1 3.27Å; G360-T362 PolarHBondContact O-N 3.38Å; G360-T362 VanDerWaalsContact O-N 3.12Å
363	I	54.4	Low	56.4	Low	122 Å²	122	96.6 Å²	96.6	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-82.4	-43.7	-176.7	-63	171.3	0	0	0	111.3	G360 T361 T365	G360-I363 PolarHBondContact O-N 2.82Å; T361-I363 VanDerWaalsContact C-N 3.28Å; T361-I363 PolarHBondContact O-N 3Å; I363-T365 PolarHBondContact O-N 3.41Å
364	D	49.5	Very low	54	Low	128 Å²	128	98 Å²	98	68%	0.684	59%	0.587	S	S	*	*	H	α-helix	trans	-67	-18	-174	-70.1	-29.1	0	0	0	113.8
365	T	48.1	Very low	52	Low	115 Å²	115	102 Å²	102	71%	0.706	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-12.5	-171.4	-52.9	0	0	0	0	114.2	T361 I363	T361-T365 PolarHBondContact O-OG1 3.05Å; I363-T365 PolarHBondContact O-N 3.41Å
366	T	40.4	Very low	49.7	Very low	121 Å²	121	107.4 Å²	107.4	74%	0.742	64%	0.644	S	S	*	*	S	Bend	trans	-112	2.2	-168	-45.7	0	0	0	0	114.4
367	S	33.2	Very low	47.7	Very low	99 Å²	99	108.3 Å²	108.3	69%	0.692	65%	0.653	S	S	*	*			trans	-133.3	77.8	-170	-61.9	0	0	0	0	115
368	Q	31.6	Very low	45.7	Very low	187 Å²	187	112.4 Å²	112.4	87%	0.874	68%	0.681	S	S	*	*			trans	-136.3	122.4	156.5	-85.7	-154.5	-10.3	0	0	112.6
369	P	35.4	Very low	44	Very low	122 Å²	122	118.2 Å²	118.2	79%	0.792	71%	0.707	S	S	*	*			trans	-108.8	139.6	130.7	33.2	-30.5	0	0	0	110.3
370	S	31.9	Very low	42.1	Very low	99 Å²	99	118.2 Å²	118.2	69%	0.692	72%	0.72	S	S	*	*			trans	-47.6	137.6	-178.7	53.9	0	0	0	0	116.1
371	N	37	Very low	40.7	Very low	171 Å²	171	123.3 Å²	123.3	91%	0.914	75%	0.745	S	S	*	*			trans	-151.5	136.3	132.3	-108	-34.7	0	0	0	110.9
372	N	34.5	Very low	39.6	Very low	151 Å²	151	127.2 Å²	127.2	81%	0.807	77%	0.769	S	S	*	*			trans	-125.3	107.2	-167.4	179.1	21.1	0	0	0	111.5
373	S	39.6	Very low	38.6	Very low	125 Å²	125	127.6 Å²	127.6	87%	0.874	78%	0.776	S	S	*	*			trans	-170.7	145.3	163.7	-80.3	0	0	0	0	109.4
374	G	33	Very low	38	Very low	74 Å²	74	131.7 Å²	131.7	76%	0.763	79%	0.793	S	S	*	*			cis	173.9	-0.4	0.1	0	0	0	0	0	116.8
375	S	39.1	Very low	37.3	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	80%	0.8	S	S	*	*			trans	-165.5	134.7	173.5	42	0	0	0	0	108.3
376	N	33.7	Very low	36.9	Very low	156 Å²	156	133.3 Å²	133.3	83%	0.834	80%	0.799	S	S	*	*			cis	92.5	143	26.9	-160.8	18.7	0	0	0	114.4
377	V	41.1	Very low	37.2	Very low	115 Å²	115	132.7 Å²	132.7	70%	0.697	80%	0.799	S	S	*	*			trans	85.5	92.8	173.9	-168.8	0	0	0	0	118.3
378	S	38.9	Very low	37.7	Very low	94 Å²	94	136 Å²	136	66%	0.657	80%	0.801	S	S	*	*				58	128	126.1	-55.3	0	0	0	0	124.5
379	Q	41.6	Very low	38.3	Very low	180 Å²	180	132.2 Å²	132.2	84%	0.841	79%	0.787	S	S	*	*				54.9	117.2	128.5	-60.9	174.3	-17.9	0	0	120.5
380	S	37.5	Very low	39	Very low	125 Å²	125	135.3 Å²	135.3	87%	0.874	79%	0.788	S	S	*	*				-171.5	164.7	103.5	42.4	0	0	0	0	112.3
381	V	38.2	Very low	39.9	Very low	136 Å²	136	136.2 Å²	136.2	82%	0.824	79%	0.794	S	S	*	*			trans	-104.4	143.3	179.6	178.9	0	0	0	0	108.8
382	T	35.8	Very low	40.4	Very low	136 Å²	136	135.4 Å²	135.4	83%	0.834	79%	0.79	S	S	*	*			trans	167.8	143.6	133.9	-73.1	0	0	0	0	111.8
383	S	37.3	Very low	41.3	Very low	109 Å²	109	136 Å²	136	76%	0.762	79%	0.793	S	S	*	*			trans	-75.9	152.3	177.9	-36.5	0	0	0	0	113.5
384	Q	41.1	Very low	41.5	Very low	208 Å²	208	137.2 Å²	137.2	97%	0.972	78%	0.783	S	S	*	*			trans	-156.3	170.9	140.5	-119.7	170.9	6.5	0	0	113.2
385	E	35.3	Very low	42.3	Very low	181 Å²	181	142.4 Å²	142.4	85%	0.846	78%	0.784	S	S	*	*			trans	-122.4	176.8	-158.7	-162.6	-178.6	128.4	0	0	112
386	S	40	Very low	42.5	Very low	96 Å²	96	143.1 Å²	143.1	67%	0.671	78%	0.775	S	S	*	*			trans	89.6	105.2	158.4	75.7	0	0	0	0	120.4
387	S	45.8	Very low	42.8	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	78%	0.776	S	S	*	*				47.8	141.9	127.2	70.8	0	0	0	0	121.1
388	K	44.2	Very low	43	Very low	167 Å²	167	143.7 Å²	143.7	73%	0.726	78%	0.784	S	S	*	*				172.6	168.3	51.2	-155	-178.8	164.2	-123.7	0	112.8
389	D	44.4	Very low	43	Very low	108 Å²	108	144.7 Å²	144.7	58%	0.578	79%	0.786	S	S	*	*			trans	91.7	132.7	144.1	-85.8	-28.3	0	0	0	123.9
390	K	50.3	Low	43	Very low	187 Å²	187	142.9 Å²	142.9	81%	0.813	79%	0.788	S	S	*	*			trans	69.2	140.2	155.7	-74.5	168.7	178.7	168.4	0	119.3
391	S	50	Low	43.3	Very low	118 Å²	118	140 Å²	140	83%	0.825	78%	0.777	S	S	*	*			cis	-154.2	161.6	27.6	41.7	0	0	0	0	114.8
392	D	47.4	Very low	43.5	Very low	154 Å²	154	141.9 Å²	141.9	82%	0.824	78%	0.783	S	S	*	*			trans	-92.3	158.1	-177.9	-45.7	-103.1	0	0	0	114.9
393	N	52.8	Low	44.1	Very low	165 Å²	165	140 Å²	140	88%	0.882	78%	0.781	S	S	*	*				-156	167.7	126	-143.1	-21	0	0	0	113.2
394	K	44.8	Very low	44.5	Very low	150 Å²	150	144.7 Å²	144.7	65%	0.652	79%	0.788	S	S	*	*			trans	-146.6	143.7	-159.2	171.8	-167.2	174.5	-158.9	0	112.3	E396	K394-E396 WeakPolarHBondContact CE-OE1 3.48Å; K394-E396 IonicContact NZ-OE1 2.82Å; K394-E396 PolarHBondContact NZ-OE1 3.3Å
395	K	49.1	Very low	44.9	Very low	182 Å²	182	139 Å²	139	79%	0.791	78%	0.777	S	S	*	*			trans	154.9	167	145.9	-91	-173.2	170.8	-177.6	0	111.9
396	E	42.8	Very low	45.9	Very low	130 Å²	130	138.3 Å²	138.3	61%	0.607	78%	0.779	S	S	*	*			cis	175.7	121.2	-45.1	-105.3	170.7	-171.4	0	0	108.3	K394	K394-E396 WeakPolarHBondContact CE-OE1 3.48Å; K394-E396 IonicContact NZ-OE1 2.82Å; K394-E396 PolarHBondContact NZ-OE1 3.3Å
397	G	41.5	Very low	46.4	Very low	83 Å²	83	141.3 Å²	141.3	86%	0.856	78%	0.78	S	S	*	*			trans	74.2	174.3	166.9	0	0	0	0	0	117.8
398	K	45.2	Very low	46.9	Very low	200 Å²	200	144.5 Å²	144.5	87%	0.87	78%	0.78	S	S	*	*			cis	-160.9	146.2	-16	-176.2	176.2	175.4	-175.8	0	110.9
399	T	37.5	Very low	47.2	Very low	116 Å²	116	142.4 Å²	142.4	71%	0.712	78%	0.777	S	S	*	*			trans	-17	158.9	169.8	-31.4	0	0	0	0	121.5
400	T	42.9	Very low	47.8	Very low	142 Å²	142	145.1 Å²	145.1	87%	0.871	79%	0.786	S	S	*	*			trans	88.4	149	173.3	70.8	0	0	0	0	115.3
401	G	43.4	Very low	47.7	Very low	63 Å²	63	141.3 Å²	141.3	65%	0.649	78%	0.783	S	S	*	*			cis	178	163	-3.7	0	0	0	0	0	112.9
402	D	43	Very low	48.1	Very low	176 Å²	176	144.8 Å²	144.8	94%	0.941	78%	0.784	S	S	*	*			trans	62.2	139	162.4	-66.6	-65.2	0	0	0	123.8
403	A	47.4	Very low	48.8	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	78%	0.776	S	S	*	*			trans	-71.4	157.9	-172.7	0	0	0	0	0	116.5
404	K	46.3	Very low	49.1	Very low	207 Å²	207	142.2 Å²	142.2	90%	0.9	77%	0.77	S	S	*	*				-147.5	153	129.1	-136.2	171.5	-175.1	180	0	111.3
405	A	48.9	Very low	50	Low	89 Å²	89	142.3 Å²	142.3	74%	0.736	78%	0.777	S	S	*	*			trans	-109.5	153.4	175.5	0	0	0	0	0	109.7
406	D	55.6	Low	50.5	Low	167 Å²	167	141.7 Å²	141.7	89%	0.893	78%	0.775	S	S	*	*			trans	-142	146.1	158.8	-109.6	-46.1	0	0	0	110.3
407	K	51.2	Low	51.9	Low	158 Å²	158	143.7 Å²	143.7	69%	0.687	79%	0.786	S	S	*	*			trans	-94	147.6	174.8	-92.8	-176.7	149.7	-124.2	0	109.7	D409	K407-D409 IonicContact NZ-OD1 2.62Å; K407-D409 PolarHBondContact NZ-OD1 3.36Å; K407-D409 VanDerWaalsContact NZ-OD1 3.15Å; K407-D409 IonicContact NZ-OD2 3.81Å; K407-D409 PolarHBondContact NZ-OD2 2.98Å
408	K	57	Low	53	Low	175 Å²	175	145.6 Å²	145.6	76%	0.761	78%	0.777	S	S	*	*			trans	-144.6	120.5	144.2	-120	-171.3	168.7	-143.1	0	110	E410	K408-E410 IonicContact NZ-OE1 3.15Å; K408-E410 PolarHBondContact NZ-OE1 2.92Å
409	D	49.1	Very low	54.1	Low	123 Å²	123	142.6 Å²	142.6	66%	0.658	78%	0.775	S	S	*	*			trans	-88.5	121.4	172.3	-48.8	-89	0	0	0	107.5	K407	K407-D409 IonicContact NZ-OD1 2.62Å; K407-D409 PolarHBondContact NZ-OD1 3.36Å; K407-D409 VanDerWaalsContact NZ-OD1 3.15Å; K407-D409 IonicContact NZ-OD2 3.81Å; K407-D409 PolarHBondContact NZ-OD2 2.98Å
410	E	56.8	Low	55.3	Low	165 Å²	165	148.5 Å²	148.5	77%	0.771	80%	0.802	S	S	*	*			trans	-133.6	125.3	162.2	-74.8	-174.1	-162.7	0	0	108.5	K408	K408-E410 IonicContact NZ-OE1 3.15Å; K408-E410 PolarHBondContact NZ-OE1 2.92Å
411	S	50.1	Low	56	Low	108 Å²	108	148.8 Å²	148.8	76%	0.755	80%	0.799	S	S	*	*			trans	-115.2	132.6	-175.7	54.2	0	0	0	0	109.7
412	F	57.7	Low	56.6	Low	191 Å²	191	153.3 Å²	153.3	84%	0.838	81%	0.807	S	S	*	*			trans	-147.6	136	171.7	-117.4	-85.4	0	0	0	113.1
413	D	62.5	Low	57.4	Low	123 Å²	123	152.1 Å²	152.1	66%	0.658	80%	0.799	S	S	*	*			trans	38.6	107.7	164	-59.7	-3.7	0	0	0	121.6
414	D	59.3	Low	58	Low	141 Å²	141	155.3 Å²	155.3	75%	0.754	80%	0.799	S	S	*	*				31.5	119.9	106.7	-65.9	-15	0	0	0	119
415	N	62.1	Low	58.7	Low	153 Å²	153	152.1 Å²	152.1	82%	0.818	79%	0.793	S	S	*	*				-164	122.9	107	-108.9	-84.2	0	0	0	111.1
416	K	60.7	Low	59.4	Low	169 Å²	169	156.3 Å²	156.3	74%	0.735	80%	0.797	S	S	*	*			trans	-124.2	112.9	165.4	178.1	-174.6	174	-93.4	0	107.6	D418	K416-D418 IonicContact NZ-OD1 2.77Å; K416-D418 PolarHBondContact NZ-OD1 3.31Å
417	M	71.1	Confident	59.6	Low	172 Å²	172	155.5 Å²	155.5	85%	0.847	79%	0.79	S	S	*	*			trans	-82.9	148.2	164.9	-79.2	-174.6	167.6	0	0	110.4
418	D	65.2	Low	60.3	Low	122 Å²	122	155.3 Å²	155.3	65%	0.652	80%	0.798	S	S	*	*			trans	-98.7	149.5	174.8	-57	-59.5	0	0	0	111.2	K416	K416-D418 IonicContact NZ-OD1 2.77Å; K416-D418 PolarHBondContact NZ-OD1 3.31Å
419	T	69.2	Low	60.6	Low	137 Å²	137	153.7 Å²	153.7	84%	0.84	80%	0.801	S	S	*	*			trans	-156.2	124.5	146.4	9.4	0	0	0	0	109.8
420	D	62.8	Low	61.6	Low	240 Å²	240	156.5 Å²	156.5	100%	1.283	81%	0.814	S	S	*	*			trans	39.8	0	167.6	-58.7	-42.8	0	0	0	119.5

Retrieved 420 of 420 residues in 536.5 ms (Link to these results)

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