A0A087XIX8_POEFO Loading...

SKI/DACH domain containing 1

AlphaFold DB , UniProt , Accession A0A087XIX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 763 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	46.4	Very low	83.5	Confident	229 Å²	229	81.9 Å²	81.9	100%	1.128	46%	0.458	S	S	*	.				0	140.3	0	-67.2	161.5	-178.1	0	0	107.5
2	G	58.7	Low	83.8	Confident	67 Å²	67	84.8 Å²	84.8	69%	0.691	47%	0.465	S	S	*	.			trans	-84	119.9	-176.3	0	0	0	0	0	111.6	L4	G2-L4 PolarHBondContact O-N 2.89Å
3	D	76.6	Confident	84.2	Confident	138 Å²	138	83 Å²	83	74%	0.738	48%	0.478	S	S	*	.			trans	-73.9	93.1	-177.4	-111.8	-45.5	0	0	0	111.9	V5 K66	D3-V5 PolarHBondContact O-N 2.86Å; D3-K66 IonicContact OD1-NZ 2.96Å; D3-K66 PolarHBondContact OD1-NZ 2.83Å
4	L	86.2	Confident	84.8	Confident	42 Å²	42	78.9 Å²	78.9	22%	0.22	46%	0.455	C	S	.	.			trans	-46.1	113.2	168	-66.4	162.2	0	0	0	110.4	G2 L19 I21 E62 E63 K66	G2-L4 PolarHBondContact O-N 2.89Å; L4-L19 HydrophobicContact CB-CD1 4.05Å; L4-I21 HydrophobicContact CD2-CG1 4.42Å; L4-E62 HydrophobicContact CD1-CB 4.27Å; L4-E63 HydrophobicContact CD1-CG 3.93Å; L4-K66 HydrophobicContact CB-CD 3.87Å; L4-K66 VanDerWaalsContact N-NZ 3.18Å; L4-K66 WeakPolarHBondContact O-CD 3.23Å; L4-K66 PolarHBondContact O-NZ 2.71Å
5	V	92	Very high	85.4	Confident	83 Å²	83	84 Å²	84	50%	0.503	46%	0.464	S	S	.	.			trans	-75.9	133.7	-178.4	176.6	0	0	0	0	109.7	D3 L20	D3-V5 PolarHBondContact O-N 2.86Å; V5-L20 HydrophobicContact CB-CB 4.03Å; V5-L20 WeakPolarHBondContact O-CB 3.25Å; V5-L20 PolarHBondContact O-N 3.21Å
6	C	92.9	Very high	86	Confident	50 Å²	50	78.8 Å²	78.8	34%	0.338	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	158	177.1	62.4	0	0	0	0	111.3	Y18 L19 I70	C6-Y18 WeakPolarHBondContact CA-O 3.44Å; C6-L19 HydrophobicContact CB-CD1 3.71Å; C6-I70 HydrophobicContact CB-CD1 4.4Å; C6-I70 HydrophobicContact CB-CG2 4.17Å
7	G	93.2	Very high	86.6	Confident	14 Å²	14	74.2 Å²	74.2	14%	0.144	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-164.9	-177.9	0	0	0	0	0	113.1	G17 Y18	G7-G17 WeakPolarHBondContact O-CA 3.41Å; G7-Y18 VanDerWaalsContact C-CE1 3.49Å; G7-Y18 PolarHBondContact N-O 2.82Å; G7-Y18 PolarHBondContact O-N 2.86Å
8	F	93.8	Very high	87	Confident	98 Å²	98	72.5 Å²	72.5	43%	0.43	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.9	175.4	-61.6	-85	0	0	0	110.3	L16 I70	F8-L16 WeakPolarHBondContact CA-O 3.32Å; F8-I70 WeakPolarHBondContact CE1-O 3.3Å; F8-I70 HydrophobicContact CE2-CB 4.46Å; F8-I70 HydrophobicContact CZ-CB 3.99Å; F8-I70 VanDerWaalsContact CZ-O 3.24Å; F8-I70 WeakPolarHBondContact CZ-O 3.38Å
9	E	94.9	Very high	87.5	Confident	49 Å²	49	68.7 Å²	68.7	23%	0.229	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.6	174.8	-179.4	77.5	-157.2	0	0	108.2	L16 Y18 Q25 F27 R85	E9-L16 PolarHBondContact N-O 2.97Å; E9-L16 PolarHBondContact O-N 2.62Å; E9-Y18 HydrophobicContact CB-CD1 3.77Å; E9-Y18 HydrophobicContact CB-CE1 4.17Å; E9-Q25 PolarHBondContact OE2-NE2 3.34Å; E9-F27 HydrophobicContact CB-CE1 3.85Å; E9-F27 HydrophobicContact CB-CZ 3.83Å; E9-F27 HydrophobicContact CG-CE1 4.47Å; E9-F27 HydrophobicContact CG-CZ 4.08Å; E9-R85 IonicContact OE1-CZ 2.61Å; E9-R85 VanDerWaalsContact OE1-CZ 3.22Å; E9-R85 IonicContact OE1-NH1 2.84Å; E9-R85 PolarHBondContact OE1-NH1 3.24Å; E9-R85 IonicContact OE1-NH2 3.05Å; E9-R85 PolarHBondContact OE1-NH2 2.77Å; E9-R85 IonicContact OE2-NH1 3.46Å; E9-R85 PolarHBondContact OE2-NH1 2.56Å
10	E	94.2	Very high	87.8	Confident	122 Å²	122	68.2 Å²	68.2	57%	0.57	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.1	177.3	-166	172.1	148.3	0	0	111.9	G13 V14 R15	E10-G13 WeakPolarHBondContact OE1-CA 3.29Å; E10-V14 WeakPolarHBondContact CA-O 3.4Å; E10-R15 HydrophobicContact CG-CG 4.47Å
11	M	89.3	Confident	88	Confident	9 Å²	9	65.9 Å²	65.9	4%	0.044	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.9	172.3	-68.9	-157.3	-157	0	0	111.1	G13 V14 L16 F27 R85 V88 E89	M11-G13 PolarHBondContact O-N 2.62Å; M11-G13 VanDerWaalsContact O-N 3.14Å; M11-V14 PolarHBondContact N-O 3.33Å; M11-V14 WeakPolarHBondContact O-CB 3.26Å; M11-V14 PolarHBondContact O-N 3.28Å; M11-L16 HydrophobicContact CB-CD1 4.08Å; M11-L16 HydrophobicContact CE-CD1 4.48Å; M11-L16 HydrophobicContact CG-CD1 4.16Å; M11-L16 HydrophobicContact SD-CD1 4.13Å; M11-F27 HydrophobicContact CE-CD1 4.04Å; M11-F27 HydrophobicContact CE-CD2 3.5Å; M11-F27 VanDerWaalsContact CE-CD2 3.5Å; M11-F27 HydrophobicContact CE-CE1 3.74Å; M11-F27 HydrophobicContact CE-CE2 3.19Å; M11-F27 HydrophobicContact CE-CG 3.92Å; M11-F27 HydrophobicContact CE-CZ 3.32Å; M11-R85 HydrophobicContact CE-CB 4.46Å; M11-R85 HydrophobicContact CE-CG 4Å; M11-V88 HydrophobicContact CE-CB 4.11Å; M11-V88 HydrophobicContact CE-CG1 4.1Å; M11-V88 HydrophobicContact CE-CG2 4.49Å; M11-V88 HydrophobicContact SD-CB 4.03Å; M11-V88 HydrophobicContact SD-CG1 3.47Å; M11-V88 WeakPolarHBondContact SD-CG1 3.29Å; M11-E89 HydrophobicContact SD-CG 4.41Å
12	Q	86.9	Confident	90.1	Very high	117 Å²	117	65 Å²	65	55%	0.547	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	34.2	171.6	-54.9	-74.6	-51.5	0	0	113.9	L36 Y92	Q12-L36 HydrophobicContact CB-CD1 3.83Å; Q12-L36 HydrophobicContact CG-CD1 4.19Å; Q12-Y92 HydrophobicContact CB-CE1 4.48Å; Q12-Y92 HydrophobicContact CB-CE2 4.42Å; Q12-Y92 HydrophobicContact CG-CD1 4.01Å; Q12-Y92 HydrophobicContact CG-CE1 3.62Å; Q12-Y92 HydrophobicContact CG-CE2 4.15Å; Q12-Y92 HydrophobicContact CG-CG 4.43Å; Q12-Y92 PolarHBondContact OE1-OH 3.15Å
13	G	89.4	Confident	91.6	Very high	61 Å²	61	65 Å²	65	63%	0.629	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	16.7	-175.9	0	0	0	0	0	114.9	E10 M11	E10-G13 WeakPolarHBondContact OE1-CA 3.29Å; M11-G13 PolarHBondContact O-N 2.62Å; M11-G13 VanDerWaalsContact O-N 3.14Å
14	V	92.8	Very high	92.4	Very high	26 Å²	26	64.1 Å²	64.1	16%	0.158	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.3	-178.6	-178.8	0	0	0	0	109.9	E10 M11 L16 D35 L36	E10-V14 WeakPolarHBondContact CA-O 3.4Å; M11-V14 PolarHBondContact N-O 3.33Å; M11-V14 WeakPolarHBondContact O-CB 3.26Å; M11-V14 PolarHBondContact O-N 3.28Å; V14-L16 HydrophobicContact CG1-CD2 3.73Å; V14-L16 HydrophobicContact CG1-CG 4.09Å; V14-L16 PolarHBondContact O-N 3.14Å; V14-D35 HydrophobicContact CG1-CB 3.55Å; V14-L36 HydrophobicContact CG2-CD1 4.39Å
15	R	94.3	Very high	92.8	Very high	155 Å²	155	64 Å²	64	59%	0.585	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	104.9	172.6	-67.1	179.2	63.2	-129.4	-5.5	110.1	E10 Q31	E10-R15 HydrophobicContact CG-CG 4.47Å; R15-Q31 PolarHBondContact O-NE2 2.87Å
16	L	94.8	Very high	92.9	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.8	176.6	-62	175.6	0	0	0	110	F8 E9 M11 V14 F27 Q31 V32 D35	F8-L16 WeakPolarHBondContact CA-O 3.32Å; E9-L16 PolarHBondContact N-O 2.97Å; E9-L16 PolarHBondContact O-N 2.62Å; M11-L16 HydrophobicContact CB-CD1 4.08Å; M11-L16 HydrophobicContact CE-CD1 4.48Å; M11-L16 HydrophobicContact CG-CD1 4.16Å; M11-L16 HydrophobicContact SD-CD1 4.13Å; V14-L16 HydrophobicContact CG1-CD2 3.73Å; V14-L16 HydrophobicContact CG1-CG 4.09Å; V14-L16 PolarHBondContact O-N 3.14Å; L16-F27 HydrophobicContact CB-CD1 3.67Å; L16-F27 HydrophobicContact CB-CE1 3.94Å; L16-F27 HydrophobicContact CD1-CD1 4.23Å; L16-Q31 HydrophobicContact CD2-CB 4.44Å; L16-Q31 HydrophobicContact CD2-CG 3.82Å; L16-V32 HydrophobicContact CD1-CG2 4.16Å; L16-D35 HydrophobicContact CD2-CB 4.2Å
17	G	95	Very high	93.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.4	170.3	0	0	0	0	0	111.2	G7 F27	G7-G17 WeakPolarHBondContact O-CA 3.41Å; G17-F27 WeakPolarHBondContact O-CD1 3.43Å
18	Y	95.2	Very high	93.2	Very high	44 Å²	44	57.9 Å²	57.9	17%	0.173	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.1	174	73.1	-99.9	0	0	0	112.4	C6 G7 E9 L20 Q25 M26	C6-Y18 WeakPolarHBondContact CA-O 3.44Å; G7-Y18 VanDerWaalsContact C-CE1 3.49Å; G7-Y18 PolarHBondContact N-O 2.82Å; G7-Y18 PolarHBondContact O-N 2.86Å; E9-Y18 HydrophobicContact CB-CD1 3.77Å; E9-Y18 HydrophobicContact CB-CE1 4.17Å; Y18-L20 HydrophobicContact CD2-CD1 4.16Å; Y18-L20 HydrophobicContact CE2-CD1 4.01Å; Y18-Q25 HydrophobicContact CD2-CG 4.22Å; Y18-Q25 HydrophobicContact CG-CG 4.43Å; Y18-M26 WeakPolarHBondContact CA-O 3.3Å
19	L	95.2	Very high	93.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.8	166.5	-165.4	67	0	0	0	108.7	L4 C6 I21 M26 E63 K66 L67 L82	L4-L19 HydrophobicContact CB-CD1 4.05Å; C6-L19 HydrophobicContact CB-CD1 3.71Å; L19-I21 HydrophobicContact CD2-CD1 4.12Å; L19-I21 HydrophobicContact CD2-CG1 4.15Å; L19-I21 HydrophobicContact CG-CG1 4.22Å; L19-M26 PolarHBondContact N-O 2.75Å; L19-M26 WeakPolarHBondContact O-CB 3.37Å; L19-M26 PolarHBondContact O-N 3.04Å; L19-E63 HydrophobicContact CD2-CB 3.43Å; L19-E63 VanDerWaalsContact CD2-CB 3.43Å; L19-E63 HydrophobicContact CD2-CG 3.6Å; L19-K66 HydrophobicContact CD1-CB 4.11Å; L19-K66 HydrophobicContact CD1-CD 4.41Å; L19-L67 HydrophobicContact CB-CD2 4.14Å; L19-L67 HydrophobicContact CB-CG 4.44Å; L19-L67 HydrophobicContact CD2-CD1 4.34Å; L19-L67 HydrophobicContact CD2-CG 4.4Å; L19-L82 HydrophobicContact CB-CD1 4.38Å
20	L	94	Very high	93.2	Very high	59 Å²	59	53.4 Å²	53.4	31%	0.309	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	102.6	179	-135.9	75.7	0	0	0	109.5	V5 Y18 K24 Q25	V5-L20 HydrophobicContact CB-CB 4.03Å; V5-L20 WeakPolarHBondContact O-CB 3.25Å; V5-L20 PolarHBondContact O-N 3.21Å; Y18-L20 HydrophobicContact CD2-CD1 4.16Å; Y18-L20 HydrophobicContact CE2-CD1 4.01Å; L20-K24 WeakPolarHBondContact CA-O 3.49Å; L20-Q25 HydrophobicContact CD1-CB 4.41Å; L20-Q25 HydrophobicContact CD1-CG 3.65Å
21	I	92.7	Very high	93.2	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.097	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.9	-178.9	-61.4	158.6	0	0	0	108.1	L4 L19 G23 K24 M26 E63 L82	L4-I21 HydrophobicContact CD2-CG1 4.42Å; L19-I21 HydrophobicContact CD2-CD1 4.12Å; L19-I21 HydrophobicContact CD2-CG1 4.15Å; L19-I21 HydrophobicContact CG-CG1 4.22Å; I21-G23 PolarHBondContact O-N 3.09Å; I21-G23 VanDerWaalsContact O-N 3.16Å; I21-K24 PolarHBondContact N-O 3.28Å; I21-K24 PolarHBondContact O-N 3.16Å; I21-M26 HydrophobicContact CB-CG 4.12Å; I21-M26 HydrophobicContact CD1-CB 4Å; I21-M26 HydrophobicContact CD1-CG 4Å; I21-M26 HydrophobicContact CG1-CG 4.46Å; I21-E63 WeakPolarHBondContact CD1-OE1 3.35Å; I21-E63 WeakPolarHBondContact CG1-OE1 3.36Å; I21-L82 HydrophobicContact CD1-CD1 3.48Å; I21-L82 VanDerWaalsContact CD1-CD1 3.48Å
22	K	89.1	Confident	93.4	Very high	210 Å²	210	48.1 Å²	48.1	91%	0.913	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	40.6	-177.9	-58.6	178.1	-178	-178.5	0	112.2	K24	K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 2.67Å
23	G	90.6	Very high	93.7	Very high	68 Å²	68	43.8 Å²	43.8	70%	0.701	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	-2.1	-178.3	0	0	0	0	0	116.3	I21	I21-G23 PolarHBondContact O-N 3.09Å; I21-G23 VanDerWaalsContact O-N 3.16Å
24	K	93.2	Very high	93.9	Very high	120 Å²	120	44.2 Å²	44.2	52%	0.522	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.9	-177.3	-57.5	-162.9	176.3	-159	0	112.1	L20 I21 K22 M26	L20-K24 WeakPolarHBondContact CA-O 3.49Å; I21-K24 PolarHBondContact N-O 3.28Å; I21-K24 PolarHBondContact O-N 3.16Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 2.67Å; K24-M26 HydrophobicContact CB-CG 4.48Å; K24-M26 HydrophobicContact CB-SD 4.38Å; K24-M26 PolarHBondContact O-N 3.26Å
25	Q	94.9	Very high	93.8	Very high	38 Å²	38	45.3 Å²	45.3	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.2	169.1	-74.8	-175.4	-30.1	0	0	110.1	E9 Y18 L20 F27 R85	E9-Q25 PolarHBondContact OE2-NE2 3.34Å; Y18-Q25 HydrophobicContact CD2-CG 4.22Å; Y18-Q25 HydrophobicContact CG-CG 4.43Å; L20-Q25 HydrophobicContact CD1-CB 4.41Å; L20-Q25 HydrophobicContact CD1-CG 3.65Å; Q25-F27 HydrophobicContact CB-CE2 3.81Å; Q25-F27 HydrophobicContact CB-CZ 4.2Å; Q25-R85 PolarHBondContact O-N 3.3Å; Q25-R85 VanDerWaalsContact O-N 3.11Å
26	M	94.9	Very high	93.7	Very high	19 Å²	19	39.1 Å²	39.1	9%	0.094	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.7	-177.1	-62.4	-65.1	-71.9	0	0	110.4	Y18 L19 I21 K24 H57 L82 I83 S84	Y18-M26 WeakPolarHBondContact CA-O 3.3Å; L19-M26 PolarHBondContact N-O 2.75Å; L19-M26 WeakPolarHBondContact O-CB 3.37Å; L19-M26 PolarHBondContact O-N 3.04Å; I21-M26 HydrophobicContact CB-CG 4.12Å; I21-M26 HydrophobicContact CD1-CB 4Å; I21-M26 HydrophobicContact CD1-CG 4Å; I21-M26 HydrophobicContact CG1-CG 4.46Å; K24-M26 HydrophobicContact CB-CG 4.48Å; K24-M26 HydrophobicContact CB-SD 4.38Å; K24-M26 PolarHBondContact O-N 3.26Å; M26-H57 HydrophobicContact CE-CB 3.71Å; M26-L82 HydrophobicContact CB-CB 3.91Å; M26-L82 HydrophobicContact CB-CD1 3.78Å; M26-L82 HydrophobicContact CB-CG 4.47Å; M26-L82 HydrophobicContact CE-CB 4.06Å; M26-I83 WeakPolarHBondContact CA-O 3.35Å; M26-S84 VanDerWaalsContact SD-CA 3.57Å; M26-S84 VanDerWaalsContact SD-CB 3.55Å
27	F	95.9	Very high	93.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.9	-169.3	-66.8	-87.7	0	0	0	112.3	E9 M11 L16 G17 Q25 L29 V32 L82 I83 R85 V88	E9-F27 HydrophobicContact CB-CE1 3.85Å; E9-F27 HydrophobicContact CB-CZ 3.83Å; E9-F27 HydrophobicContact CG-CE1 4.47Å; E9-F27 HydrophobicContact CG-CZ 4.08Å; M11-F27 HydrophobicContact CE-CD1 4.04Å; M11-F27 HydrophobicContact CE-CD2 3.5Å; M11-F27 VanDerWaalsContact CE-CD2 3.5Å; M11-F27 HydrophobicContact CE-CE1 3.74Å; M11-F27 HydrophobicContact CE-CE2 3.19Å; M11-F27 HydrophobicContact CE-CG 3.92Å; M11-F27 HydrophobicContact CE-CZ 3.32Å; L16-F27 HydrophobicContact CB-CD1 3.67Å; L16-F27 HydrophobicContact CB-CE1 3.94Å; L16-F27 HydrophobicContact CD1-CD1 4.23Å; G17-F27 WeakPolarHBondContact O-CD1 3.43Å; Q25-F27 HydrophobicContact CB-CE2 3.81Å; Q25-F27 HydrophobicContact CB-CZ 4.2Å; F27-L29 PolarHBondContact O-N 2.86Å; F27-L29 VanDerWaalsContact O-N 3.11Å; F27-V32 HydrophobicContact CB-CG2 4.19Å; F27-L82 WeakPolarHBondContact O-CB 3.4Å; F27-I83 HydrophobicContact CB-CG2 4.33Å; F27-I83 PolarHBondContact N-O 2.86Å; F27-I83 WeakPolarHBondContact O-CG2 3.38Å; F27-I83 PolarHBondContact O-N 2.96Å; F27-I83 VanDerWaalsContact O-N 3.11Å; F27-R85 HydrophobicContact CE2-CB 3.99Å; F27-R85 HydrophobicContact CE2-CG 4.43Å; F27-V88 HydrophobicContact CB-CG2 4.38Å
28	A	95.9	Very high	93.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	110.4	175.4	0	0	0	0	0	111.1	S30 Q31 V32 S72 I73 L82	A28-S30 PolarHBondContact O-N 3.46Å; A28-S30 VanDerWaalsContact O-N 3.16Å; A28-Q31 HydrophobicContact CB-CB 4.06Å; A28-Q31 WeakPolarHBondContact O-CA 3.36Å; A28-Q31 WeakPolarHBondContact O-CB 3.35Å; A28-Q31 PolarHBondContact O-N 2.92Å; A28-V32 PolarHBondContact O-N 2.9Å; A28-S72 WeakPolarHBondContact CB-OG 3.45Å; A28-I73 HydrophobicContact CB-CD1 4.46Å; A28-I73 HydrophobicContact CB-CG1 3.9Å; A28-L82 HydrophobicContact CB-CD2 4.32Å
29	L	95.3	Very high	92.9	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-30	-179.6	-173.8	67.1	0	0	0	112.3	F27 V32 F33 M49 T81 I83	F27-L29 PolarHBondContact O-N 2.86Å; F27-L29 VanDerWaalsContact O-N 3.11Å; L29-V32 PolarHBondContact O-N 3.28Å; L29-F33 HydrophobicContact CD1-CD1 4.47Å; L29-F33 HydrophobicContact CD1-CE1 3.8Å; L29-F33 HydrophobicContact CD1-CZ 3.85Å; L29-F33 HydrophobicContact CD2-CE2 4.04Å; L29-F33 HydrophobicContact CD2-CZ 3.72Å; L29-F33 HydrophobicContact CG-CD2 4.41Å; L29-F33 HydrophobicContact CG-CE1 3.98Å; L29-F33 HydrophobicContact CG-CE2 3.79Å; L29-F33 HydrophobicContact CG-CZ 3.55Å; L29-F33 WeakPolarHBondContact O-CD2 3.33Å; L29-F33 VanDerWaalsContact O-CG 3.22Å; L29-F33 WeakPolarHBondContact O-CG 3.38Å; L29-F33 PolarHBondContact O-N 2.99Å; L29-M49 HydrophobicContact CD1-SD 4.13Å; L29-M49 HydrophobicContact CD2-CE 4.04Å; L29-M49 HydrophobicContact CD2-SD 3.82Å; L29-T81 WeakPolarHBondContact CB-O 3.43Å; L29-T81 WeakPolarHBondContact CB-OG1 3.36Å; L29-T81 WeakPolarHBondContact CD2-OG1 3.44Å; L29-T81 PolarHBondContact N-O 2.96Å; L29-I83 HydrophobicContact CB-CG2 4.14Å; L29-I83 HydrophobicContact CD1-CB 4.23Å; L29-I83 HydrophobicContact CD1-CD1 3.99Å; L29-I83 HydrophobicContact CD1-CG2 3.83Å
30	S	93.1	Very high	92.7	Very high	46 Å²	46	50.9 Å²	50.9	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-56.5	-48.8	169.3	44.7	0	0	0	0	112.2	A28 F33 T34	A28-S30 PolarHBondContact O-N 3.46Å; A28-S30 VanDerWaalsContact O-N 3.16Å; S30-F33 PolarHBondContact O-N 3.2Å; S30-T34 PolarHBondContact O-N 2.86Å; S30-T34 VanDerWaalsContact O-N 3.15Å; S30-T34 PolarHBondContact O-OG1 3.23Å
31	Q	94.8	Very high	92.6	Very high	20 Å²	20	51.8 Å²	51.8	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-41.3	177.9	-162.8	-176.7	-0.8	0	0	111.6	R15 L16 A28 F33 T34 D35 S72	R15-Q31 PolarHBondContact O-NE2 2.87Å; L16-Q31 HydrophobicContact CD2-CB 4.44Å; L16-Q31 HydrophobicContact CD2-CG 3.82Å; A28-Q31 HydrophobicContact CB-CB 4.06Å; A28-Q31 WeakPolarHBondContact O-CA 3.36Å; A28-Q31 WeakPolarHBondContact O-CB 3.35Å; A28-Q31 PolarHBondContact O-N 2.92Å; Q31-F33 PolarHBondContact O-N 3.08Å; Q31-T34 WeakPolarHBondContact CA-OG1 3.38Å; Q31-T34 PolarHBondContact O-N 3.32Å; Q31-T34 VanDerWaalsContact O-N 3.08Å; Q31-T34 PolarHBondContact O-OG1 3.03Å; Q31-D35 HydrophobicContact CG-CB 4.48Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.29Å; Q31-D35 PolarHBondContact NE2-OD2 3.04Å; Q31-D35 WeakPolarHBondContact O-CB 3.49Å; Q31-D35 PolarHBondContact O-N 3.48Å; Q31-S72 PolarHBondContact OE1-OG 2.96Å
32	V	94.3	Very high	92.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	I	π-helix	trans	-57	-37.2	173.9	175.3	0	0	0	0	111.1	L16 F27 A28 L29 L36 L37 I83 V88	L16-V32 HydrophobicContact CD1-CG2 4.16Å; F27-V32 HydrophobicContact CB-CG2 4.19Å; A28-V32 PolarHBondContact O-N 2.9Å; L29-V32 PolarHBondContact O-N 3.28Å; V32-L36 HydrophobicContact CG1-CD2 4.34Å; V32-L36 PolarHBondContact O-N 3.08Å; V32-L37 HydrophobicContact CG1-CD1 3.89Å; V32-L37 HydrophobicContact CG1-CG 4.19Å; V32-L37 WeakPolarHBondContact O-CB 3.44Å; V32-L37 PolarHBondContact O-N 3.48Å; V32-I83 HydrophobicContact CG2-CG2 4.27Å; V32-V88 HydrophobicContact CG1-CG1 4.13Å; V32-V88 HydrophobicContact CG2-CG1 4.35Å; V32-V88 HydrophobicContact CG2-CG2 4Å
33	F	92.9	Very high	92.6	Very high	26 Å²	26	53 Å²	53	11%	0.114	29%	0.287	C	S	.	.	I	π-helix	trans	-72	-35.2	173.8	-64.8	-27.2	0	0	0	114.5	L29 S30 Q31 K38 V45 H46	L29-F33 HydrophobicContact CD1-CD1 4.47Å; L29-F33 HydrophobicContact CD1-CE1 3.8Å; L29-F33 HydrophobicContact CD1-CZ 3.85Å; L29-F33 HydrophobicContact CD2-CE2 4.04Å; L29-F33 HydrophobicContact CD2-CZ 3.72Å; L29-F33 HydrophobicContact CG-CD2 4.41Å; L29-F33 HydrophobicContact CG-CE1 3.98Å; L29-F33 HydrophobicContact CG-CE2 3.79Å; L29-F33 HydrophobicContact CG-CZ 3.55Å; L29-F33 WeakPolarHBondContact O-CD2 3.33Å; L29-F33 VanDerWaalsContact O-CG 3.22Å; L29-F33 WeakPolarHBondContact O-CG 3.38Å; L29-F33 PolarHBondContact O-N 2.99Å; S30-F33 PolarHBondContact O-N 3.2Å; Q31-F33 PolarHBondContact O-N 3.08Å; F33-K38 PolarHBondContact O-N 3.42Å; F33-V45 HydrophobicContact CD1-CG1 4.13Å; F33-V45 HydrophobicContact CE1-CB 4.04Å; F33-V45 HydrophobicContact CE1-CG1 3.58Å; F33-H46 AromaticContact CE2-CE1 3.6Å; F33-H46 AromaticContact CZ-CE1 3.42Å; F33-H46 VanDerWaalsContact CZ-CE1 3.42Å; F33-H46 WeakPolarHBondContact CZ-CE1 3.26Å; F33-H46 AromaticContact CZ-ND1 3.94Å
34	T	92.1	Very high	92.7	Very high	71 Å²	71	52 Å²	52	44%	0.436	27%	0.267	S	S	.	.	I	π-helix	trans	-84.4	-29.2	-177	51	0	0	0	0	113.9	S30 Q31 K38	S30-T34 PolarHBondContact O-N 2.86Å; S30-T34 VanDerWaalsContact O-N 3.15Å; S30-T34 PolarHBondContact O-OG1 3.23Å; Q31-T34 WeakPolarHBondContact CA-OG1 3.38Å; Q31-T34 PolarHBondContact O-N 3.32Å; Q31-T34 VanDerWaalsContact O-N 3.08Å; Q31-T34 PolarHBondContact O-OG1 3.03Å; T34-K38 WeakPolarHBondContact O-CB 3.49Å
35	D	92.6	Very high	92.8	Very high	49 Å²	49	46.3 Å²	46.3	26%	0.262	24%	0.242	S	C	.	.	I	π-helix	trans	-110.1	-52.4	-165.3	-58	7.2	0	0	0	110.6	V14 L16 Q31 K38	V14-D35 HydrophobicContact CG1-CB 3.55Å; L16-D35 HydrophobicContact CD2-CB 4.2Å; Q31-D35 HydrophobicContact CG-CB 4.48Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.29Å; Q31-D35 PolarHBondContact NE2-OD2 3.04Å; Q31-D35 WeakPolarHBondContact O-CB 3.49Å; Q31-D35 PolarHBondContact O-N 3.48Å; D35-K38 WeakPolarHBondContact O-CD 3.3Å; D35-K38 WeakPolarHBondContact O-CE 3.28Å; D35-K38 PolarHBondContact O-NZ 2.79Å
36	L	91.5	Very high	92.7	Very high	24 Å²	24	48.1 Å²	48.1	13%	0.126	25%	0.251	C	S	.	.	I	π-helix	trans	-85.4	-46.4	-177.1	-175.4	67	0	0	0	112.6	Q12 V14 V32 V88 Y92	Q12-L36 HydrophobicContact CB-CD1 3.83Å; Q12-L36 HydrophobicContact CG-CD1 4.19Å; V14-L36 HydrophobicContact CG2-CD1 4.39Å; V32-L36 HydrophobicContact CG1-CD2 4.34Å; V32-L36 PolarHBondContact O-N 3.08Å; L36-V88 HydrophobicContact CD2-CG1 3.7Å; L36-Y92 HydrophobicContact CD1-CD2 3.72Å; L36-Y92 HydrophobicContact CD1-CE2 3.6Å; L36-Y92 HydrophobicContact CD2-CD2 3.92Å; L36-Y92 HydrophobicContact CD2-CG 4.49Å; L36-Y92 HydrophobicContact CG-CD2 3.72Å; L36-Y92 HydrophobicContact CG-CE2 4.05Å
37	L	90.4	Very high	92.6	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.026	27%	0.274	C	S	.	.	S	Bend	trans	-103.5	10.5	-171.7	-57.4	-179.1	0	0	0	114.7	V32 N39 I40 V45 L91 Y92	V32-L37 HydrophobicContact CG1-CD1 3.89Å; V32-L37 HydrophobicContact CG1-CG 4.19Å; V32-L37 WeakPolarHBondContact O-CB 3.44Å; V32-L37 PolarHBondContact O-N 3.48Å; L37-N39 PolarHBondContact O-N 2.86Å; L37-I40 HydrophobicContact CD2-CD1 4.07Å; L37-I40 WeakPolarHBondContact O-CB 3.36Å; L37-I40 PolarHBondContact O-N 3.06Å; L37-V45 HydrophobicContact CD1-CG1 3.59Å; L37-V45 HydrophobicContact CD1-CG2 4.36Å; L37-L91 HydrophobicContact CD1-CD2 3.97Å; L37-L91 HydrophobicContact CD1-CG 4.18Å; L37-Y92 HydrophobicContact CD2-CD2 3.91Å
38	K	89.8	Confident	92.4	Very high	135 Å²	135	56.4 Å²	56.4	59%	0.587	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-30.4	-175.7	59.4	-164.6	169.6	-136.7	0	117.5	F33 T34 D35 I40	F33-K38 PolarHBondContact O-N 3.42Å; T34-K38 WeakPolarHBondContact O-CB 3.49Å; D35-K38 WeakPolarHBondContact O-CD 3.3Å; D35-K38 WeakPolarHBondContact O-CE 3.28Å; D35-K38 PolarHBondContact O-NZ 2.79Å; K38-I40 VanDerWaalsContact C-N 3.3Å; K38-I40 PolarHBondContact O-N 2.91Å
39	N	88.1	Confident	92.4	Very high	128 Å²	128	56.5 Å²	56.5	68%	0.684	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	7.8	-179.8	-68.8	-38.9	0	0	0	113.9	L37 R99	L37-N39 PolarHBondContact O-N 2.86Å; N39-R99 PolarHBondContact O-NH2 2.87Å
40	I	90.4	Very high	92.3	Very high	24 Å²	24	60.1 Å²	60.1	12%	0.123	30%	0.304	C	S	.	.	S	Bend	trans	-123.9	130.3	-174.7	-58.9	164.3	0	0	0	109	L37 K38 R42 T44 V45 C95 R99	L37-I40 HydrophobicContact CD2-CD1 4.07Å; L37-I40 WeakPolarHBondContact O-CB 3.36Å; L37-I40 PolarHBondContact O-N 3.06Å; K38-I40 VanDerWaalsContact C-N 3.3Å; K38-I40 PolarHBondContact O-N 2.91Å; I40-R42 PolarHBondContact O-N 2.76Å; I40-T44 HydrophobicContact CG2-CG2 4.23Å; I40-V45 HydrophobicContact CB-CG2 4.09Å; I40-V45 HydrophobicContact CG2-CG2 3.56Å; I40-C95 HydrophobicContact CD1-CB 3.57Å; I40-R99 VanDerWaalsContact CG1-NH2 3.3Å
41	P	91.6	Very high	92.3	Very high	79 Å²	79	65.6 Å²	65.6	51%	0.513	32%	0.319	S	S	.	.			trans	-62.7	129	178.5	26.2	-34.1	0	0	0	110.1	T43 T44 V45	P41-T43 PolarHBondContact O-N 3.33Å; P41-T44 WeakPolarHBondContact O-CB 3.21Å; P41-T44 PolarHBondContact O-N 2.9Å; P41-V45 PolarHBondContact O-N 3.04Å
42	R	91.3	Very high	92.2	Very high	151 Å²	151	66.6 Å²	66.6	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-49.4	-34.8	-177.4	-70.8	178.1	177.1	146.5	-1.2	112.9	I40 T44 V45 H46	I40-R42 PolarHBondContact O-N 2.76Å; R42-T44 VanDerWaalsContact C-N 3.34Å; R42-T44 PolarHBondContact O-N 3.36Å; R42-V45 PolarHBondContact O-N 2.93Å; R42-V45 VanDerWaalsContact O-N 3.1Å; R42-H46 PolarHBondContact O-N 3.24Å; R42-H46 PolarHBondContact O-ND1 2.97Å
43	T	91.8	Very high	92	Very high	104 Å²	104	74.3 Å²	74.3	64%	0.638	36%	0.358	S	S	*	.	H	α-helix	trans	-62.3	-32.3	176.5	51.2	0	0	0	0	114.3	P41 K47	P41-T43 PolarHBondContact O-N 3.33Å; T43-K47 WeakPolarHBondContact O-CG 3.24Å; T43-K47 PolarHBondContact O-N 3.4Å
44	T	92.8	Very high	92.1	Very high	45 Å²	45	73.6 Å²	73.6	28%	0.276	36%	0.356	S	S	.	.	H	α-helix	trans	-72.7	-40.7	170.3	-66.8	0	0	0	0	110.8	I40 P41 R42 K47 R48	I40-T44 HydrophobicContact CG2-CG2 4.23Å; P41-T44 WeakPolarHBondContact O-CB 3.21Å; P41-T44 PolarHBondContact O-N 2.9Å; R42-T44 VanDerWaalsContact C-N 3.34Å; R42-T44 PolarHBondContact O-N 3.36Å; T44-K47 PolarHBondContact O-N 3.39Å; T44-R48 HydrophobicContact CG2-CG 4.21Å; T44-R48 WeakPolarHBondContact O-CB 3.11Å; T44-R48 VanDerWaalsContact O-CG 3.25Å; T44-R48 WeakPolarHBondContact O-CG 3.47Å; T44-R48 PolarHBondContact O-N 2.9Å
45	V	93.6	Very high	92	Very high	1 Å²	1	78.5 Å²	78.5	1%	0.006	37%	0.371	C	S	.	.	H	α-helix	trans	-65.2	-40.5	-179.7	-165.7	0	0	0	0	111.4	F33 L37 I40 P41 R42 R48 M49 L91	F33-V45 HydrophobicContact CD1-CG1 4.13Å; F33-V45 HydrophobicContact CE1-CB 4.04Å; F33-V45 HydrophobicContact CE1-CG1 3.58Å; L37-V45 HydrophobicContact CD1-CG1 3.59Å; L37-V45 HydrophobicContact CD1-CG2 4.36Å; I40-V45 HydrophobicContact CB-CG2 4.09Å; I40-V45 HydrophobicContact CG2-CG2 3.56Å; P41-V45 PolarHBondContact O-N 3.04Å; R42-V45 PolarHBondContact O-N 2.93Å; R42-V45 VanDerWaalsContact O-N 3.1Å; V45-R48 PolarHBondContact O-N 3.37Å; V45-M49 VanDerWaalsContact O-CB 3.25Å; V45-M49 WeakPolarHBondContact O-CB 3.33Å; V45-M49 PolarHBondContact O-N 3.16Å; V45-L91 HydrophobicContact CG1-CD1 3.88Å; V45-L91 HydrophobicContact CG1-CD2 3.74Å; V45-L91 HydrophobicContact CG1-CG 4.03Å
46	H	92.8	Very high	92.1	Very high	77 Å²	77	80.9 Å²	80.9	36%	0.356	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-51.9	174.5	-73.5	63.4	0	0	0	111	F33 R42 R48 M49 D50	F33-H46 AromaticContact CE2-CE1 3.6Å; F33-H46 AromaticContact CZ-CE1 3.42Å; F33-H46 VanDerWaalsContact CZ-CE1 3.42Å; F33-H46 WeakPolarHBondContact CZ-CE1 3.26Å; F33-H46 AromaticContact CZ-ND1 3.94Å; R42-H46 PolarHBondContact O-N 3.24Å; R42-H46 PolarHBondContact O-ND1 2.97Å; H46-R48 VanDerWaalsContact C-N 3.29Å; H46-R48 PolarHBondContact O-N 2.84Å; H46-M49 HydrophobicContact CB-CE 4.49Å; H46-M49 WeakPolarHBondContact O-CA 3.43Å; H46-M49 WeakPolarHBondContact O-CB 3.48Å; H46-M49 PolarHBondContact O-N 3.46Å; H46-M49 VanDerWaalsContact O-N 3.08Å; H46-D50 PolarHBondContact O-N 3.11Å
47	K	94	Very high	92.2	Very high	132 Å²	132	82.5 Å²	82.5	57%	0.574	39%	0.386	S	S	*	.	H	α-helix	trans	-56.3	-41.4	175.3	-70.2	-174.9	177.3	-160.3	0	113	T43 T44 D50 Y51	T43-K47 WeakPolarHBondContact O-CG 3.24Å; T43-K47 PolarHBondContact O-N 3.4Å; T44-K47 PolarHBondContact O-N 3.39Å; K47-D50 PolarHBondContact O-N 2.97Å; K47-Y51 HydrophobicContact CB-CD2 4.43Å; K47-Y51 HydrophobicContact CB-CE2 4.1Å; K47-Y51 WeakPolarHBondContact O-CD2 3.34Å; K47-Y51 PolarHBondContact O-N 3.48Å
48	R	92.4	Very high	92.3	Very high	61 Å²	61	87.1 Å²	87.1	23%	0.23	41%	0.407	C	S	.	.	H	α-helix	trans	-63	-43.1	176.5	-75.5	-86.1	160.1	-139.8	-7.2	111.8	T44 V45 H46 D50 Y51 L52 L91 S94 E98	T44-R48 HydrophobicContact CG2-CG 4.21Å; T44-R48 WeakPolarHBondContact O-CB 3.11Å; T44-R48 VanDerWaalsContact O-CG 3.25Å; T44-R48 WeakPolarHBondContact O-CG 3.47Å; T44-R48 PolarHBondContact O-N 2.9Å; V45-R48 PolarHBondContact O-N 3.37Å; H46-R48 VanDerWaalsContact C-N 3.29Å; H46-R48 PolarHBondContact O-N 2.84Å; R48-D50 VanDerWaalsContact C-N 3.34Å; R48-Y51 PolarHBondContact O-N 3.28Å; R48-L52 WeakPolarHBondContact O-CB 3.48Å; R48-L52 VanDerWaalsContact O-CG 3.29Å; R48-L52 WeakPolarHBondContact O-CG 3.38Å; R48-L52 PolarHBondContact O-N 3.46Å; R48-L91 HydrophobicContact CB-CD1 3.71Å; R48-S94 VanDerWaalsContact CD-OG 3.23Å; R48-S94 WeakPolarHBondContact CD-OG 2.99Å; R48-S94 PolarHBondContact NH1-OG 2.99Å; R48-E98 IonicContact CZ-OE2 3.78Å; R48-E98 VanDerWaalsContact CZ-OE2 3.29Å; R48-E98 IonicContact NE-OE2 2.67Å; R48-E98 PolarHBondContact NE-OE2 2.98Å; R48-E98 VanDerWaalsContact NH2-CD 3.32Å; R48-E98 IonicContact NH2-OE2 3.91Å; R48-E98 PolarHBondContact NH2-OE2 2.91Å
49	M	94	Very high	92.5	Very high	2 Å²	2	81.3 Å²	81.3	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-62.9	-39.4	175.6	-173.5	172.9	46.5	0	0	111.7	L29 V45 H46 K53 V54 K56 L91	L29-M49 HydrophobicContact CD1-SD 4.13Å; L29-M49 HydrophobicContact CD2-CE 4.04Å; L29-M49 HydrophobicContact CD2-SD 3.82Å; V45-M49 VanDerWaalsContact O-CB 3.25Å; V45-M49 WeakPolarHBondContact O-CB 3.33Å; V45-M49 PolarHBondContact O-N 3.16Å; H46-M49 HydrophobicContact CB-CE 4.49Å; H46-M49 WeakPolarHBondContact O-CA 3.43Å; H46-M49 WeakPolarHBondContact O-CB 3.48Å; H46-M49 PolarHBondContact O-N 3.46Å; H46-M49 VanDerWaalsContact O-N 3.08Å; M49-K53 PolarHBondContact O-N 2.87Å; M49-V54 HydrophobicContact CB-CB 4.49Å; M49-V54 HydrophobicContact CG-CB 3.5Å; M49-V54 HydrophobicContact CG-CG1 3.54Å; M49-V54 HydrophobicContact CG-CG2 3.92Å; M49-V54 WeakPolarHBondContact O-CB 3.41Å; M49-V54 PolarHBondContact O-N 3.22Å; M49-V54 VanDerWaalsContact O-N 3.13Å; M49-V54 HydrophobicContact SD-CG1 4.11Å; M49-K56 HydrophobicContact CE-CD 4.34Å; M49-K56 HydrophobicContact SD-CD 4.22Å; M49-K56 HydrophobicContact SD-CG 4.04Å; M49-L91 HydrophobicContact CB-CD1 4.2Å
50	D	93.6	Very high	92.8	Very high	82 Å²	82	80 Å²	80	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-71.3	-42.7	176.6	-54.7	-33.2	0	0	0	111.9	H46 K47 R48 L52 K53 K56	H46-D50 PolarHBondContact O-N 3.11Å; K47-D50 PolarHBondContact O-N 2.97Å; R48-D50 VanDerWaalsContact C-N 3.34Å; D50-L52 VanDerWaalsContact C-N 3.3Å; D50-L52 PolarHBondContact O-N 2.56Å; D50-K53 PolarHBondContact O-N 3.32Å; D50-K53 VanDerWaalsContact O-N 3.1Å; D50-K56 IonicContact OD1-NZ 2.75Å; D50-K56 PolarHBondContact OD1-NZ 3.43Å
51	Y	92.7	Very high	92.9	Very high	161 Å²	161	84.7 Å²	84.7	63%	0.631	40%	0.401	S	S	*	.	H	α-helix	trans	-62.8	-34.3	173.7	-71.3	-52.4	0	0	0	113.1	K47 R48 K53	K47-Y51 HydrophobicContact CB-CD2 4.43Å; K47-Y51 HydrophobicContact CB-CE2 4.1Å; K47-Y51 WeakPolarHBondContact O-CD2 3.34Å; K47-Y51 PolarHBondContact O-N 3.48Å; R48-Y51 PolarHBondContact O-N 3.28Å; Y51-K53 VanDerWaalsContact C-N 3.26Å
52	L	92.7	Very high	92.9	Very high	41 Å²	41	85.7 Å²	85.7	22%	0.215	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.8	176	-72.6	169.3	0	0	0	113.2	R48 D50 V54 A90 L91 W140	R48-L52 WeakPolarHBondContact O-CB 3.48Å; R48-L52 VanDerWaalsContact O-CG 3.29Å; R48-L52 WeakPolarHBondContact O-CG 3.38Å; R48-L52 PolarHBondContact O-N 3.46Å; D50-L52 VanDerWaalsContact C-N 3.3Å; D50-L52 PolarHBondContact O-N 2.56Å; L52-V54 HydrophobicContact CB-CG2 3.85Å; L52-V54 PolarHBondContact O-N 2.91Å; L52-A90 HydrophobicContact CD1-CB 4.39Å; L52-L91 HydrophobicContact CD1-CB 4.37Å; L52-L91 HydrophobicContact CD1-CD1 4.32Å; L52-W140 HydrophobicContact CD2-CH2 4.29Å; L52-W140 HydrophobicContact CD2-CZ3 3.91Å
53	K	91.6	Very high	93	Very high	162 Å²	162	78.9 Å²	78.9	70%	0.704	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	32	-177.8	-58.8	170.4	-177.9	164.1	0	113.3	M49 D50 Y51	M49-K53 PolarHBondContact O-N 2.87Å; D50-K53 PolarHBondContact O-N 3.32Å; D50-K53 VanDerWaalsContact O-N 3.1Å; Y51-K53 VanDerWaalsContact C-N 3.26Å
54	V	93.6	Very high	93	Very high	11 Å²	11	74.5 Å²	74.5	7%	0.067	35%	0.346	C	S	.	.			trans	-54.6	134.8	-178.1	161.3	0	0	0	0	112.1	M49 L52 K56 I83 D87	M49-V54 HydrophobicContact CB-CB 4.49Å; M49-V54 HydrophobicContact CG-CB 3.5Å; M49-V54 HydrophobicContact CG-CG1 3.54Å; M49-V54 HydrophobicContact CG-CG2 3.92Å; M49-V54 WeakPolarHBondContact O-CB 3.41Å; M49-V54 PolarHBondContact O-N 3.22Å; M49-V54 VanDerWaalsContact O-N 3.13Å; M49-V54 HydrophobicContact SD-CG1 4.11Å; L52-V54 HydrophobicContact CB-CG2 3.85Å; L52-V54 PolarHBondContact O-N 2.91Å; V54-K56 HydrophobicContact CG1-CG 4.41Å; V54-K56 PolarHBondContact O-N 2.77Å; V54-I83 HydrophobicContact CG1-CD1 3.73Å; V54-I83 HydrophobicContact CG1-CG1 3.86Å; V54-D87 WeakPolarHBondContact CA-OD2 3.45Å; V54-D87 HydrophobicContact CB-CB 4.39Å; V54-D87 HydrophobicContact CG1-CB 3.9Å; V54-D87 WeakPolarHBondContact CG1-OD2 3.05Å; V54-D87 HydrophobicContact CG2-CB 3.94Å
55	K	91.4	Very high	93	Very high	174 Å²	174	80.4 Å²	80.4	76%	0.757	36%	0.364	S	S	*	.			trans	-88.3	94.7	-178	-70.1	-172.7	178.2	-176.9	0	111	H57 D87	K55-H57 PolarHBondContact O-N 2.92Å; K55-D87 PolarHBondContact N-OD2 3.14Å
56	K	93.1	Very high	93	Very high	99 Å²	99	82.6 Å²	82.6	43%	0.43	37%	0.373	S	S	.	.			trans	-75	105.8	177.3	-56	159.6	-161.2	169.2	0	109.3	M49 D50 V54 L82	M49-K56 HydrophobicContact CE-CD 4.34Å; M49-K56 HydrophobicContact SD-CD 4.22Å; M49-K56 HydrophobicContact SD-CG 4.04Å; D50-K56 IonicContact OD1-NZ 2.75Å; D50-K56 PolarHBondContact OD1-NZ 3.43Å; V54-K56 HydrophobicContact CG1-CG 4.41Å; V54-K56 PolarHBondContact O-N 2.77Å; K56-L82 WeakPolarHBondContact CA-O 3.5Å
57	H	93.9	Very high	93	Very high	58 Å²	58	78.9 Å²	78.9	27%	0.269	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.7	170.8	174.7	77.1	0	0	0	109.3	M26 K55 E63 T81 L82	M26-H57 HydrophobicContact CE-CB 3.71Å; K55-H57 PolarHBondContact O-N 2.92Å; H57-E63 IonicContact CD2-OE1 3.22Å; H57-E63 IonicContact CD2-OE2 3.65Å; H57-E63 PolarHBondContact CD2-OE2 2.91Å; H57-E63 IonicContact CE1-OE1 2.81Å; H57-E63 VanDerWaalsContact NE2-CD 3.28Å; H57-E63 IonicContact NE2-OE1 2.82Å; H57-E63 PolarHBondContact NE2-OE1 3.29Å; H57-E63 IonicContact NE2-OE2 3.2Å; H57-E63 PolarHBondContact NE2-OE2 3.19Å; H57-T81 CarbonylContact O-C 3.52Å; H57-T81 VanDerWaalsContact O-CA 3.26Å; H57-T81 WeakPolarHBondContact O-CA 3.34Å; H57-L82 PolarHBondContact N-O 3.47Å; H57-L82 VanDerWaalsContact N-O 3.11Å; H57-L82 WeakPolarHBondContact O-CA 3.46Å; H57-L82 PolarHBondContact O-N 3.46Å
58	Q	93.9	Very high	93	Very high	102 Å²	102	75 Å²	75	48%	0.477	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.7	178.3	176.1	48.2	62.2	0	0	108.1	D60 C80	Q58-D60 PolarHBondContact O-N 3.49Å; Q58-C80 PolarHBondContact NE2-O 3.02Å
59	C	93.8	Very high	93	Very high	13 Å²	13	75.8 Å²	75.8	9%	0.088	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-62.7	130.5	-175.7	-68	0	0	0	0	112.4	E63 L64 C80 L82	C59-E63 VanDerWaalsContact CA-OE2 3.25Å; C59-E63 WeakPolarHBondContact CA-OE2 3.46Å; C59-E63 HydrophobicContact CB-CB 4.47Å; C59-L64 HydrophobicContact CB-CB 4.39Å; C59-C80 HydrophobicContact CB-CB 4.26Å; C59-C80 WeakPolarHBondContact CB-O 3.36Å; C59-C80 PolarHBondContact N-O 2.89Å; C59-C80 VanDerWaalsContact SG-C 3.6Å; C59-C80 PolarHBondContact SG-O 2.85Å; C59-L82 WeakPolarHBondContact SG-CD2 3.04Å; C59-L82 VanDerWaalsContact SG-CG 3.52Å
60	D	93.9	Very high	92.9	Very high	100 Å²	100	76.8 Å²	76.8	54%	0.535	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-74.5	166.9	165	-69.4	-45.9	0	0	0	111.5	Q58 E62 E63 L64	Q58-D60 PolarHBondContact O-N 3.49Å; D60-E62 VanDerWaalsContact C-N 3.32Å; D60-E62 PolarHBondContact O-N 3.14Å; D60-E63 HydrophobicContact CB-CG 4.1Å; D60-E63 PolarHBondContact N-OE2 3.27Å; D60-E63 PolarHBondContact O-N 3.47Å; D60-L64 VanDerWaalsContact O-CB 3.25Å; D60-L64 WeakPolarHBondContact O-CB 3.42Å; D60-L64 PolarHBondContact O-N 3.48Å
61	L	91.9	Very high	92.8	Very high	123 Å²	123	79.8 Å²	79.8	64%	0.644	38%	0.38	S	S	*	.	H	α-helix	trans	-64.3	-34.3	-177.1	-67.1	177.8	0	0	0	113	R65	L61-R65 WeakPolarHBondContact O-CB 3.47Å; L61-R65 WeakPolarHBondContact O-CD 3.3Å; L61-R65 WeakPolarHBondContact O-CG 3.34Å; L61-R65 PolarHBondContact O-N 2.94Å
62	E	92.1	Very high	92.7	Very high	100 Å²	100	72.5 Å²	72.5	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-71.5	-44.4	176.7	-62	-170.7	174.8	0	0	111.9	L4 D60 L64 R65 K66	L4-E62 HydrophobicContact CD1-CB 4.27Å; D60-E62 VanDerWaalsContact C-N 3.32Å; D60-E62 PolarHBondContact O-N 3.14Å; E62-L64 VanDerWaalsContact C-N 3.34Å; E62-L64 PolarHBondContact O-N 2.95Å; E62-R65 WeakPolarHBondContact O-CB 3.4Å; E62-R65 PolarHBondContact O-N 3.23Å; E62-K66 PolarHBondContact O-N 2.75Å
63	E	92.8	Very high	92.7	Very high	8 Å²	8	71.1 Å²	71.1	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-46.9	173.9	-57.7	-177	152.4	0	0	110.8	L4 L19 I21 H57 C59 D60 R65 K66 L67	L4-E63 HydrophobicContact CD1-CG 3.93Å; L19-E63 HydrophobicContact CD2-CB 3.43Å; L19-E63 VanDerWaalsContact CD2-CB 3.43Å; L19-E63 HydrophobicContact CD2-CG 3.6Å; I21-E63 WeakPolarHBondContact CD1-OE1 3.35Å; I21-E63 WeakPolarHBondContact CG1-OE1 3.36Å; H57-E63 IonicContact CD2-OE1 3.22Å; H57-E63 IonicContact CD2-OE2 3.65Å; H57-E63 PolarHBondContact CD2-OE2 2.91Å; H57-E63 IonicContact CE1-OE1 2.81Å; H57-E63 VanDerWaalsContact NE2-CD 3.28Å; H57-E63 IonicContact NE2-OE1 2.82Å; H57-E63 PolarHBondContact NE2-OE1 3.29Å; H57-E63 IonicContact NE2-OE2 3.2Å; H57-E63 PolarHBondContact NE2-OE2 3.19Å; C59-E63 VanDerWaalsContact CA-OE2 3.25Å; C59-E63 WeakPolarHBondContact CA-OE2 3.46Å; C59-E63 HydrophobicContact CB-CB 4.47Å; D60-E63 HydrophobicContact CB-CG 4.1Å; D60-E63 PolarHBondContact N-OE2 3.27Å; D60-E63 PolarHBondContact O-N 3.47Å; E63-R65 VanDerWaalsContact C-N 3.35Å; E63-R65 PolarHBondContact O-N 3.42Å; E63-K66 PolarHBondContact O-N 3.37Å; E63-L67 WeakPolarHBondContact O-CB 3.18Å; E63-L67 WeakPolarHBondContact O-CD1 3.41Å; E63-L67 VanDerWaalsContact O-CG 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.26Å; E63-L67 PolarHBondContact O-N 3.43Å
64	L	92.8	Very high	92.7	Very high	12 Å²	12	67 Å²	67	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-36.7	177.7	-176.9	63	0	0	0	112.3	C59 D60 E62 K68 I73 C80	C59-L64 HydrophobicContact CB-CB 4.39Å; D60-L64 VanDerWaalsContact O-CB 3.25Å; D60-L64 WeakPolarHBondContact O-CB 3.42Å; D60-L64 PolarHBondContact O-N 3.48Å; E62-L64 VanDerWaalsContact C-N 3.34Å; E62-L64 PolarHBondContact O-N 2.95Å; L64-K68 WeakPolarHBondContact O-CB 3.49Å; L64-K68 VanDerWaalsContact O-CG 3.26Å; L64-K68 WeakPolarHBondContact O-CG 3.42Å; L64-K68 PolarHBondContact O-N 2.92Å; L64-K68 VanDerWaalsContact O-N 3.14Å; L64-I73 HydrophobicContact CD1-CD1 3.83Å; L64-C80 HydrophobicContact CD1-CB 4.02Å
65	R	93.4	Very high	92.5	Very high	169 Å²	169	74.2 Å²	74.2	64%	0.638	37%	0.372	S	S	*	.	H	α-helix	trans	-63.9	-48.5	172.5	-76.6	164.1	-179.4	160.4	-1.1	111.1	L61 E62 E63 K68 A69	L61-R65 WeakPolarHBondContact O-CB 3.47Å; L61-R65 WeakPolarHBondContact O-CD 3.3Å; L61-R65 WeakPolarHBondContact O-CG 3.34Å; L61-R65 PolarHBondContact O-N 2.94Å; E62-R65 WeakPolarHBondContact O-CB 3.4Å; E62-R65 PolarHBondContact O-N 3.23Å; E63-R65 VanDerWaalsContact C-N 3.35Å; E63-R65 PolarHBondContact O-N 3.42Å; R65-K68 PolarHBondContact O-N 3.22Å; R65-A69 PolarHBondContact O-N 3Å
66	K	92.6	Very high	92.5	Very high	47 Å²	47	74.1 Å²	74.1	20%	0.204	37%	0.374	C	S	.	.	H	α-helix	trans	-66.2	-40.1	-179.6	-73.9	-178.1	167.1	-170.2	0	112.7	D3 L4 L19 E62 E63 K68 A69 I70	D3-K66 IonicContact OD1-NZ 2.96Å; D3-K66 PolarHBondContact OD1-NZ 2.83Å; L4-K66 HydrophobicContact CB-CD 3.87Å; L4-K66 VanDerWaalsContact N-NZ 3.18Å; L4-K66 WeakPolarHBondContact O-CD 3.23Å; L4-K66 PolarHBondContact O-NZ 2.71Å; L19-K66 HydrophobicContact CD1-CB 4.11Å; L19-K66 HydrophobicContact CD1-CD 4.41Å; E62-K66 PolarHBondContact O-N 2.75Å; E63-K66 PolarHBondContact O-N 3.37Å; K66-K68 VanDerWaalsContact C-N 3.3Å; K66-K68 PolarHBondContact O-N 2.89Å; K66-A69 WeakPolarHBondContact O-CB 3.46Å; K66-A69 PolarHBondContact O-N 3.27Å; K66-A69 VanDerWaalsContact O-N 3.14Å; K66-I70 PolarHBondContact O-N 3.3Å; K66-I70 VanDerWaalsContact O-N 3.11Å
67	L	92.8	Very high	92.5	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-67.3	-27.8	175.6	-71.6	162.3	0	0	0	113.5	L19 E63 I70 S72 I73 L82	L19-L67 HydrophobicContact CB-CD2 4.14Å; L19-L67 HydrophobicContact CB-CG 4.44Å; L19-L67 HydrophobicContact CD2-CD1 4.34Å; L19-L67 HydrophobicContact CD2-CG 4.4Å; E63-L67 WeakPolarHBondContact O-CB 3.18Å; E63-L67 WeakPolarHBondContact O-CD1 3.41Å; E63-L67 VanDerWaalsContact O-CG 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.26Å; E63-L67 PolarHBondContact O-N 3.43Å; L67-I70 HydrophobicContact CD2-CD1 4.26Å; L67-S72 PolarHBondContact O-N 3.5Å; L67-I73 HydrophobicContact CB-CD1 3.44Å; L67-I73 VanDerWaalsContact CB-CD1 3.44Å; L67-I73 HydrophobicContact CB-CG1 4.05Å; L67-I73 HydrophobicContact CD1-CD1 3.92Å; L67-I73 HydrophobicContact CG-CD1 4.26Å; L67-I73 PolarHBondContact O-N 3.41Å; L67-L82 HydrophobicContact CD1-CD1 3.99Å; L67-L82 HydrophobicContact CD1-CD2 3.61Å; L67-L82 HydrophobicContact CD1-CG 4.35Å
68	K	93.4	Very high	92.4	Very high	51 Å²	51	71.7 Å²	71.7	22%	0.222	38%	0.382	C	S	.	.	H	α-helix	trans	-73.2	-40.2	167.7	-74.5	174.3	-174.4	-171	0	112.2	L64 R65 K66 I70 N71 F75 A77	L64-K68 WeakPolarHBondContact O-CB 3.49Å; L64-K68 VanDerWaalsContact O-CG 3.26Å; L64-K68 WeakPolarHBondContact O-CG 3.42Å; L64-K68 PolarHBondContact O-N 2.92Å; L64-K68 VanDerWaalsContact O-N 3.14Å; R65-K68 PolarHBondContact O-N 3.22Å; K66-K68 VanDerWaalsContact C-N 3.3Å; K66-K68 PolarHBondContact O-N 2.89Å; K68-I70 VanDerWaalsContact C-N 3.29Å; K68-I70 PolarHBondContact O-N 2.96Å; K68-N71 WeakPolarHBondContact O-CA 3.42Å; K68-N71 PolarHBondContact O-N 3.28Å; K68-F75 WeakPolarHBondContact CE-O 3.25Å; K68-F75 PolarHBondContact NZ-O 3.12Å; K68-A77 WeakPolarHBondContact CE-O 3.49Å; K68-A77 PolarHBondContact NZ-O 3.01Å
69	A	93.6	Very high	92.4	Very high	77 Å²	77	75.2 Å²	75.2	64%	0.636	40%	0.396	S	S	*	.	H	α-helix	trans	-60	-37.7	177.6	0	0	0	0	0	112.4	R65 K66 N71	R65-A69 PolarHBondContact O-N 3Å; K66-A69 WeakPolarHBondContact O-CB 3.46Å; K66-A69 PolarHBondContact O-N 3.27Å; K66-A69 VanDerWaalsContact O-N 3.14Å; A69-N71 VanDerWaalsContact C-N 3.27Å; A69-N71 PolarHBondContact O-N 3.4Å
70	I	91.9	Very high	92.4	Very high	22 Å²	22	75 Å²	75	11%	0.113	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	8.6	172.3	68	165.5	0	0	0	114.2	C6 F8 K66 L67 K68 S72	C6-I70 HydrophobicContact CB-CD1 4.4Å; C6-I70 HydrophobicContact CB-CG2 4.17Å; F8-I70 WeakPolarHBondContact CE1-O 3.3Å; F8-I70 HydrophobicContact CE2-CB 4.46Å; F8-I70 HydrophobicContact CZ-CB 3.99Å; F8-I70 VanDerWaalsContact CZ-O 3.24Å; F8-I70 WeakPolarHBondContact CZ-O 3.38Å; K66-I70 PolarHBondContact O-N 3.3Å; K66-I70 VanDerWaalsContact O-N 3.11Å; L67-I70 HydrophobicContact CD2-CD1 4.26Å; K68-I70 VanDerWaalsContact C-N 3.29Å; K68-I70 PolarHBondContact O-N 2.96Å; I70-S72 PolarHBondContact O-N 3.05Å; I70-S72 VanDerWaalsContact O-N 3.08Å
71	N	91.3	Very high	92.4	Very high	145 Å²	145	72.3 Å²	72.3	78%	0.775	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	21.9	-178.2	-63.4	-74.2	0	0	0	115.7	K68 A69 I73	K68-N71 WeakPolarHBondContact O-CA 3.42Å; K68-N71 PolarHBondContact O-N 3.28Å; A69-N71 VanDerWaalsContact C-N 3.27Å; A69-N71 PolarHBondContact O-N 3.4Å; N71-I73 PolarHBondContact O-N 2.84Å
72	S	91.3	Very high	92.6	Very high	9 Å²	9	66.5 Å²	66.5	6%	0.063	35%	0.351	C	S	.	.	S	Bend	trans	-70.2	-24.1	174.7	-177.8	0	0	0	0	112.1	A28 Q31 L67 I70	A28-S72 WeakPolarHBondContact CB-OG 3.45Å; Q31-S72 PolarHBondContact OE1-OG 2.96Å; L67-S72 PolarHBondContact O-N 3.5Å; I70-S72 PolarHBondContact O-N 3.05Å; I70-S72 VanDerWaalsContact O-N 3.08Å
73	I	92.3	Very high	92.8	Very high	12 Å²	12	61.7 Å²	61.7	6%	0.062	33%	0.329	C	S	.	.	S	Bend	trans	-129.7	141.1	177.3	-47	164.2	0	0	0	109.3	A28 L64 L67 N71 F75 A77 C80	A28-I73 HydrophobicContact CB-CD1 4.46Å; A28-I73 HydrophobicContact CB-CG1 3.9Å; L64-I73 HydrophobicContact CD1-CD1 3.83Å; L67-I73 HydrophobicContact CB-CD1 3.44Å; L67-I73 VanDerWaalsContact CB-CD1 3.44Å; L67-I73 HydrophobicContact CB-CG1 4.05Å; L67-I73 HydrophobicContact CD1-CD1 3.92Å; L67-I73 HydrophobicContact CG-CD1 4.26Å; L67-I73 PolarHBondContact O-N 3.41Å; N71-I73 PolarHBondContact O-N 2.84Å; I73-F75 PolarHBondContact O-N 2.9Å; I73-A77 HydrophobicContact CG2-CB 3.38Å; I73-C80 HydrophobicContact CD1-CB 3.54Å; I73-C80 WeakPolarHBondContact CD1-SG 3.44Å; I73-C80 HydrophobicContact CG1-CB 4.49Å
74	A	90.4	Very high	92.9	Very high	74 Å²	74	62 Å²	62	61%	0.612	33%	0.332	S	S	*	.			trans	-53.8	136.8	171.8	0	0	0	0	0	112.4	H76 A77	A74-H76 PolarHBondContact O-N 3.33Å; A74-H76 VanDerWaalsContact O-N 3.09Å; A74-A77 VanDerWaalsContact O-CB 3.27Å; A74-A77 WeakPolarHBondContact O-CB 3.45Å; A74-A77 PolarHBondContact O-N 3.19Å
75	F	90.8	Very high	93	Very high	163 Å²	163	64.8 Å²	64.8	72%	0.715	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-37.6	-175.8	-174.9	-100.6	0	0	0	114.1	K68 I73 A77	K68-F75 WeakPolarHBondContact CE-O 3.25Å; K68-F75 PolarHBondContact NZ-O 3.12Å; I73-F75 PolarHBondContact O-N 2.9Å; F75-A77 VanDerWaalsContact C-N 3.29Å; F75-A77 PolarHBondContact O-N 2.91Å
76	H	91.2	Very high	93.1	Very high	172 Å²	172	61.6 Å²	61.6	80%	0.796	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.2	-179.7	-50.6	-64.9	0	0	0	115	A74 A78	A74-H76 PolarHBondContact O-N 3.33Å; A74-H76 VanDerWaalsContact O-N 3.09Å; H76-A78 PolarHBondContact O-N 3.46Å
77	A	92.4	Very high	93.2	Very high	23 Å²	23	60.9 Å²	60.9	19%	0.19	33%	0.332	C	S	.	.			trans	-68.7	120	179.3	0	0	0	0	0	111.5	K68 I73 A74 F75	K68-A77 WeakPolarHBondContact CE-O 3.49Å; K68-A77 PolarHBondContact NZ-O 3.01Å; I73-A77 HydrophobicContact CG2-CB 3.38Å; A74-A77 VanDerWaalsContact O-CB 3.27Å; A74-A77 WeakPolarHBondContact O-CB 3.45Å; A74-A77 PolarHBondContact O-N 3.19Å; F75-A77 VanDerWaalsContact C-N 3.29Å; F75-A77 PolarHBondContact O-N 2.91Å
78	A	91.8	Very high	93.3	Very high	84 Å²	84	61 Å²	61	69%	0.694	33%	0.333	S	S	*	.	S	Bend	trans	-87.4	-17.1	174.9	0	0	0	0	0	113.4	H76	H76-A78 PolarHBondContact O-N 3.46Å
79	K	93.2	Very high	93.3	Very high	175 Å²	175	62.6 Å²	62.6	76%	0.761	34%	0.341	S	S	*	.			trans	-143.2	143.5	-180	-59.8	-171.8	-179.8	-171.7	0	110
80	C	93.7	Very high	93.3	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.061	33%	0.327	C	S	.	.			trans	-145.1	162.6	170.7	-175.7	0	0	0	0	110.5	Q58 C59 L64 I73	Q58-C80 PolarHBondContact NE2-O 3.02Å; C59-C80 HydrophobicContact CB-CB 4.26Å; C59-C80 WeakPolarHBondContact CB-O 3.36Å; C59-C80 PolarHBondContact N-O 2.89Å; C59-C80 VanDerWaalsContact SG-C 3.6Å; C59-C80 PolarHBondContact SG-O 2.85Å; L64-C80 HydrophobicContact CD1-CB 4.02Å; I73-C80 HydrophobicContact CD1-CB 3.54Å; I73-C80 WeakPolarHBondContact CD1-SG 3.44Å; I73-C80 HydrophobicContact CG1-CB 4.49Å
81	T	95.6	Very high	93.4	Very high	44 Å²	44	59.8 Å²	59.8	27%	0.27	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.2	178.3	51.7	0	0	0	0	111.5	L29 H57	L29-T81 WeakPolarHBondContact CB-O 3.43Å; L29-T81 WeakPolarHBondContact CB-OG1 3.36Å; L29-T81 WeakPolarHBondContact CD2-OG1 3.44Å; L29-T81 PolarHBondContact N-O 2.96Å; H57-T81 CarbonylContact O-C 3.52Å; H57-T81 VanDerWaalsContact O-CA 3.26Å; H57-T81 WeakPolarHBondContact O-CA 3.34Å
82	L	95.3	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	132.5	161.8	15.5	147.6	0	0	0	116.2	L19 I21 M26 F27 A28 K56 H57 C59 L67	L19-L82 HydrophobicContact CB-CD1 4.38Å; I21-L82 HydrophobicContact CD1-CD1 3.48Å; I21-L82 VanDerWaalsContact CD1-CD1 3.48Å; M26-L82 HydrophobicContact CB-CB 3.91Å; M26-L82 HydrophobicContact CB-CD1 3.78Å; M26-L82 HydrophobicContact CB-CG 4.47Å; M26-L82 HydrophobicContact CE-CB 4.06Å; F27-L82 WeakPolarHBondContact O-CB 3.4Å; A28-L82 HydrophobicContact CB-CD2 4.32Å; K56-L82 WeakPolarHBondContact CA-O 3.5Å; H57-L82 PolarHBondContact N-O 3.47Å; H57-L82 VanDerWaalsContact N-O 3.11Å; H57-L82 WeakPolarHBondContact O-CA 3.46Å; H57-L82 PolarHBondContact O-N 3.46Å; C59-L82 WeakPolarHBondContact SG-CD2 3.04Å; C59-L82 VanDerWaalsContact SG-CG 3.52Å; L67-L82 HydrophobicContact CD1-CD1 3.99Å; L67-L82 HydrophobicContact CD1-CD2 3.61Å; L67-L82 HydrophobicContact CD1-CG 4.35Å
83	I	96	Very high	93.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.2	159.1	-176.8	171.3	0	0	0	109	M26 F27 L29 V32 V54 D87 V88 L91	M26-I83 WeakPolarHBondContact CA-O 3.35Å; F27-I83 HydrophobicContact CB-CG2 4.33Å; F27-I83 PolarHBondContact N-O 2.86Å; F27-I83 WeakPolarHBondContact O-CG2 3.38Å; F27-I83 PolarHBondContact O-N 2.96Å; F27-I83 VanDerWaalsContact O-N 3.11Å; L29-I83 HydrophobicContact CB-CG2 4.14Å; L29-I83 HydrophobicContact CD1-CB 4.23Å; L29-I83 HydrophobicContact CD1-CD1 3.99Å; L29-I83 HydrophobicContact CD1-CG2 3.83Å; V32-I83 HydrophobicContact CG2-CG2 4.27Å; V54-I83 HydrophobicContact CG1-CD1 3.73Å; V54-I83 HydrophobicContact CG1-CG1 3.86Å; I83-D87 HydrophobicContact CD1-CB 3.94Å; I83-D87 HydrophobicContact CG1-CB 3.53Å; I83-V88 HydrophobicContact CB-CG2 4.23Å; I83-V88 HydrophobicContact CD1-CG2 3.95Å; I83-V88 HydrophobicContact CG1-CG2 3.86Å; I83-V88 HydrophobicContact CG2-CG2 3.48Å; I83-V88 VanDerWaalsContact CG2-CG2 3.48Å; I83-L91 HydrophobicContact CD1-CD2 3.95Å
84	S	95.8	Very high	93.4	Very high	14 Å²	14	58 Å²	58	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	163.4	-177.7	79.7	0	0	0	0	112.4	M26 E86 D87 V88	M26-S84 VanDerWaalsContact SD-CA 3.57Å; M26-S84 VanDerWaalsContact SD-CB 3.55Å; S84-E86 VanDerWaalsContact C-N 3.29Å; S84-E86 WeakPolarHBondContact CB-OE2 3.36Å; S84-E86 PolarHBondContact O-N 3.02Å; S84-E86 PolarHBondContact OG-OE2 3.44Å; S84-D87 PolarHBondContact O-N 2.92Å; S84-D87 PolarHBondContact OG-N 3.37Å; S84-V88 WeakPolarHBondContact O-CG2 3.43Å; S84-V88 PolarHBondContact O-N 2.98Å
85	R	94.8	Very high	93.2	Very high	70 Å²	70	54.8 Å²	54.8	26%	0.264	29%	0.285	S	S	.	.	H	α-helix	trans	-50.1	-50.1	177	-174.1	177.3	-166.9	132.1	4.4	112.4	E9 M11 Q25 F27 D87 V88 E89	E9-R85 IonicContact OE1-CZ 2.61Å; E9-R85 VanDerWaalsContact OE1-CZ 3.22Å; E9-R85 IonicContact OE1-NH1 2.84Å; E9-R85 PolarHBondContact OE1-NH1 3.24Å; E9-R85 IonicContact OE1-NH2 3.05Å; E9-R85 PolarHBondContact OE1-NH2 2.77Å; E9-R85 IonicContact OE2-NH1 3.46Å; E9-R85 PolarHBondContact OE2-NH1 2.56Å; M11-R85 HydrophobicContact CE-CB 4.46Å; M11-R85 HydrophobicContact CE-CG 4Å; Q25-R85 PolarHBondContact O-N 3.3Å; Q25-R85 VanDerWaalsContact O-N 3.11Å; F27-R85 HydrophobicContact CE2-CB 3.99Å; F27-R85 HydrophobicContact CE2-CG 4.43Å; R85-D87 PolarHBondContact O-N 3.11Å; R85-V88 PolarHBondContact O-N 3.4Å; R85-E89 WeakPolarHBondContact CG-OE1 3.46Å; R85-E89 IonicContact CZ-OE1 2.62Å; R85-E89 IonicContact NE-OE1 2.62Å; R85-E89 PolarHBondContact NE-OE1 3.06Å; R85-E89 IonicContact NH2-OE1 2.97Å; R85-E89 WeakPolarHBondContact O-CG 3.41Å; R85-E89 PolarHBondContact O-N 3.43Å
86	E	94.6	Very high	92.9	Very high	102 Å²	102	52.1 Å²	52.1	48%	0.477	27%	0.273	S	S	.	.	H	α-helix	trans	-65.4	-41.9	-174.5	-46.1	78.5	-171.9	0	0	110.7	S84 E89 A90	S84-E86 VanDerWaalsContact C-N 3.29Å; S84-E86 WeakPolarHBondContact CB-OE2 3.36Å; S84-E86 PolarHBondContact O-N 3.02Å; S84-E86 PolarHBondContact OG-OE2 3.44Å; E86-E89 PolarHBondContact O-N 3.44Å; E86-A90 VanDerWaalsContact O-CB 3.3Å; E86-A90 WeakPolarHBondContact O-CB 3.4Å; E86-A90 PolarHBondContact O-N 2.66Å
87	D	94.8	Very high	92.1	Very high	32 Å²	32	47.1 Å²	47.1	17%	0.171	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-35.9	176.2	-83.3	-16.7	0	0	0	111.8	V54 K55 I83 S84 R85 L91	V54-D87 WeakPolarHBondContact CA-OD2 3.45Å; V54-D87 HydrophobicContact CB-CB 4.39Å; V54-D87 HydrophobicContact CG1-CB 3.9Å; V54-D87 WeakPolarHBondContact CG1-OD2 3.05Å; V54-D87 HydrophobicContact CG2-CB 3.94Å; K55-D87 PolarHBondContact N-OD2 3.14Å; I83-D87 HydrophobicContact CD1-CB 3.94Å; I83-D87 HydrophobicContact CG1-CB 3.53Å; S84-D87 PolarHBondContact O-N 2.92Å; S84-D87 PolarHBondContact OG-N 3.37Å; R85-D87 PolarHBondContact O-N 3.11Å; D87-L91 WeakPolarHBondContact O-CB 3.11Å; D87-L91 PolarHBondContact O-N 3.11Å
88	V	94.2	Very high	90.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-45.2	173.3	176.9	0	0	0	0	111.5	M11 F27 V32 L36 I83 S84 R85 L91 Y92	M11-V88 HydrophobicContact CE-CB 4.11Å; M11-V88 HydrophobicContact CE-CG1 4.1Å; M11-V88 HydrophobicContact CE-CG2 4.49Å; M11-V88 HydrophobicContact SD-CB 4.03Å; M11-V88 HydrophobicContact SD-CG1 3.47Å; M11-V88 WeakPolarHBondContact SD-CG1 3.29Å; F27-V88 HydrophobicContact CB-CG2 4.38Å; V32-V88 HydrophobicContact CG1-CG1 4.13Å; V32-V88 HydrophobicContact CG2-CG1 4.35Å; V32-V88 HydrophobicContact CG2-CG2 4Å; L36-V88 HydrophobicContact CD2-CG1 3.7Å; I83-V88 HydrophobicContact CB-CG2 4.23Å; I83-V88 HydrophobicContact CD1-CG2 3.95Å; I83-V88 HydrophobicContact CG1-CG2 3.86Å; I83-V88 HydrophobicContact CG2-CG2 3.48Å; I83-V88 VanDerWaalsContact CG2-CG2 3.48Å; S84-V88 WeakPolarHBondContact O-CG2 3.43Å; S84-V88 PolarHBondContact O-N 2.98Å; R85-V88 PolarHBondContact O-N 3.4Å; V88-L91 PolarHBondContact O-N 2.88Å; V88-Y92 WeakPolarHBondContact O-CB 3.4Å; V88-Y92 PolarHBondContact O-N 2.92Å
89	E	93.4	Very high	89	Confident	85 Å²	85	50.3 Å²	50.3	40%	0.397	25%	0.246	S	C	.	.	H	α-helix	trans	-65.2	-45.8	-179.7	-71.2	178.9	-163.2	0	0	111	M11 R85 E86 L91 Y92 V93	M11-E89 HydrophobicContact SD-CG 4.41Å; R85-E89 WeakPolarHBondContact CG-OE1 3.46Å; R85-E89 IonicContact CZ-OE1 2.62Å; R85-E89 IonicContact NE-OE1 2.62Å; R85-E89 PolarHBondContact NE-OE1 3.06Å; R85-E89 IonicContact NH2-OE1 2.97Å; R85-E89 WeakPolarHBondContact O-CG 3.41Å; R85-E89 PolarHBondContact O-N 3.43Å; E86-E89 PolarHBondContact O-N 3.44Å; E89-L91 PolarHBondContact O-N 2.86Å; E89-Y92 PolarHBondContact O-N 2.91Å; E89-V93 WeakPolarHBondContact O-CG2 3.29Å; E89-V93 PolarHBondContact O-N 3.25Å
90	A	94.3	Very high	87	Confident	40 Å²	40	46.6 Å²	46.6	33%	0.331	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-43.9	173.7	0	0	0	0	0	112.4	L52 E86 Y92 V93 S94	L52-A90 HydrophobicContact CD1-CB 4.39Å; E86-A90 VanDerWaalsContact O-CB 3.3Å; E86-A90 WeakPolarHBondContact O-CB 3.4Å; E86-A90 PolarHBondContact O-N 2.66Å; A90-Y92 PolarHBondContact O-N 2.8Å; A90-V93 PolarHBondContact O-N 3.33Å; A90-S94 VanDerWaalsContact O-CB 3.26Å; A90-S94 WeakPolarHBondContact O-CB 3.36Å; A90-S94 PolarHBondContact O-N 3Å
91	L	93.5	Very high	84.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-41.6	176.5	-177	63.8	0	0	0	111.7	L37 V45 R48 M49 L52 I83 D87 V88 E89 C95	L37-L91 HydrophobicContact CD1-CD2 3.97Å; L37-L91 HydrophobicContact CD1-CG 4.18Å; V45-L91 HydrophobicContact CG1-CD1 3.88Å; V45-L91 HydrophobicContact CG1-CD2 3.74Å; V45-L91 HydrophobicContact CG1-CG 4.03Å; R48-L91 HydrophobicContact CB-CD1 3.71Å; M49-L91 HydrophobicContact CB-CD1 4.2Å; L52-L91 HydrophobicContact CD1-CB 4.37Å; L52-L91 HydrophobicContact CD1-CD1 4.32Å; I83-L91 HydrophobicContact CD1-CD2 3.95Å; D87-L91 WeakPolarHBondContact O-CB 3.11Å; D87-L91 PolarHBondContact O-N 3.11Å; V88-L91 PolarHBondContact O-N 2.88Å; E89-L91 PolarHBondContact O-N 2.86Å; L91-C95 WeakPolarHBondContact O-CB 3.23Å; L91-C95 PolarHBondContact O-N 3.37Å; L91-C95 PolarHBondContact O-SG 3.15Å
92	Y	92.2	Very high	82.7	Confident	42 Å²	42	55.9 Å²	55.9	17%	0.165	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-46.9	176.4	-179.3	-94.8	0	0	0	112	Q12 L36 L37 V88 E89 A90 C95 K96	Q12-Y92 HydrophobicContact CB-CE1 4.48Å; Q12-Y92 HydrophobicContact CB-CE2 4.42Å; Q12-Y92 HydrophobicContact CG-CD1 4.01Å; Q12-Y92 HydrophobicContact CG-CE1 3.62Å; Q12-Y92 HydrophobicContact CG-CE2 4.15Å; Q12-Y92 HydrophobicContact CG-CG 4.43Å; Q12-Y92 PolarHBondContact OE1-OH 3.15Å; L36-Y92 HydrophobicContact CD1-CD2 3.72Å; L36-Y92 HydrophobicContact CD1-CE2 3.6Å; L36-Y92 HydrophobicContact CD2-CD2 3.92Å; L36-Y92 HydrophobicContact CD2-CG 4.49Å; L36-Y92 HydrophobicContact CG-CD2 3.72Å; L36-Y92 HydrophobicContact CG-CE2 4.05Å; L37-Y92 HydrophobicContact CD2-CD2 3.91Å; V88-Y92 WeakPolarHBondContact O-CB 3.4Å; V88-Y92 PolarHBondContact O-N 2.92Å; E89-Y92 PolarHBondContact O-N 2.91Å; A90-Y92 PolarHBondContact O-N 2.8Å; Y92-C95 PolarHBondContact O-N 2.9Å; Y92-K96 HydrophobicContact CD1-CD 4.18Å; Y92-K96 HydrophobicContact CE1-CD 3.35Å; Y92-K96 VanDerWaalsContact O-CB 3.23Å; Y92-K96 WeakPolarHBondContact O-CB 3.45Å; Y92-K96 PolarHBondContact O-N 3.08Å; Y92-K96 PolarHBondContact OH-NZ 3.34Å
93	V	91.9	Very high	80.5	Confident	68 Å²	68	59.2 Å²	59.2	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-47.3	176.6	171.4	0	0	0	0	111	E89 A90 C95 K96 T97	E89-V93 WeakPolarHBondContact O-CG2 3.29Å; E89-V93 PolarHBondContact O-N 3.25Å; A90-V93 PolarHBondContact O-N 3.33Å; V93-C95 VanDerWaalsContact C-N 3.3Å; V93-C95 PolarHBondContact O-N 2.93Å; V93-K96 PolarHBondContact O-N 2.96Å; V93-T97 HydrophobicContact CG1-CG2 4.12Å; V93-T97 WeakPolarHBondContact O-CB 3.44Å; V93-T97 WeakPolarHBondContact O-CG2 3.25Å; V93-T97 PolarHBondContact O-N 3.46Å; V93-T97 PolarHBondContact O-OG1 3.16Å
94	S	90.6	Very high	78.2	Confident	18 Å²	18	61 Å²	61	13%	0.126	32%	0.316	C	S	.	.	H	α-helix	trans	-59.6	-40	176.9	-160.8	0	0	0	0	111.8	R48 A90 T97 E98	R48-S94 VanDerWaalsContact CD-OG 3.23Å; R48-S94 WeakPolarHBondContact CD-OG 2.99Å; R48-S94 PolarHBondContact NH1-OG 2.99Å; A90-S94 VanDerWaalsContact O-CB 3.26Å; A90-S94 WeakPolarHBondContact O-CB 3.36Å; A90-S94 PolarHBondContact O-N 3Å; S94-T97 PolarHBondContact O-OG1 3.11Å; S94-E98 PolarHBondContact O-N 3.11Å
95	C	87.6	Confident	76.1	Confident	8 Å²	8	68.5 Å²	68.5	5%	0.054	35%	0.347	C	S	.	.	H	α-helix	trans	-70.9	-36.2	176	-78.7	0	0	0	0	114.5	I40 L91 Y92 V93	I40-C95 HydrophobicContact CD1-CB 3.57Å; L91-C95 WeakPolarHBondContact O-CB 3.23Å; L91-C95 PolarHBondContact O-N 3.37Å; L91-C95 PolarHBondContact O-SG 3.15Å; Y92-C95 PolarHBondContact O-N 2.9Å; V93-C95 VanDerWaalsContact C-N 3.3Å; V93-C95 PolarHBondContact O-N 2.93Å
96	K	84.1	Confident	74	Confident	106 Å²	106	73.1 Å²	73.1	46%	0.461	37%	0.369	S	S	.	.	H	α-helix	trans	-79.8	-42.6	-175.8	-170.2	168.2	-179.8	177.3	0	111.5	Y92 V93	Y92-K96 HydrophobicContact CD1-CD 4.18Å; Y92-K96 HydrophobicContact CE1-CD 3.35Å; Y92-K96 VanDerWaalsContact O-CB 3.23Å; Y92-K96 WeakPolarHBondContact O-CB 3.45Å; Y92-K96 PolarHBondContact O-N 3.08Å; Y92-K96 PolarHBondContact OH-NZ 3.34Å; V93-K96 PolarHBondContact O-N 2.96Å
97	T	74.2	Confident	71.8	Confident	68 Å²	68	77.8 Å²	77.8	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-67.3	-39.1	179.1	53.3	0	0	0	0	113.1	V93 S94 R99 V100 L101	V93-T97 HydrophobicContact CG1-CG2 4.12Å; V93-T97 WeakPolarHBondContact O-CB 3.44Å; V93-T97 WeakPolarHBondContact O-CG2 3.25Å; V93-T97 PolarHBondContact O-N 3.46Å; V93-T97 PolarHBondContact O-OG1 3.16Å; S94-T97 PolarHBondContact O-OG1 3.11Å; T97-R99 PolarHBondContact O-N 3.46Å; T97-V100 WeakPolarHBondContact O-CB 3.26Å; T97-V100 PolarHBondContact O-N 2.97Å; T97-L101 PolarHBondContact O-N 2.71Å
98	E	61.3	Low	69.7	Low	39 Å²	39	86.1 Å²	86.1	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-60.6	-31.9	-178	-158.2	-152.1	128	0	0	113.1	R48 S94 V100 L101 K102	R48-E98 IonicContact CZ-OE2 3.78Å; R48-E98 VanDerWaalsContact CZ-OE2 3.29Å; R48-E98 IonicContact NE-OE2 2.67Å; R48-E98 PolarHBondContact NE-OE2 2.98Å; R48-E98 VanDerWaalsContact NH2-CD 3.32Å; R48-E98 IonicContact NH2-OE2 3.91Å; R48-E98 PolarHBondContact NH2-OE2 2.91Å; S94-E98 PolarHBondContact O-N 3.11Å; E98-V100 PolarHBondContact O-N 2.93Å; E98-L101 PolarHBondContact O-N 3.05Å; E98-K102 PolarHBondContact O-N 3.27Å; E98-K102 WeakPolarHBondContact OE1-CD 3.5Å; E98-K102 WeakPolarHBondContact OE1-CE 3.2Å; E98-K102 IonicContact OE1-NZ 3.66Å; E98-K102 PolarHBondContact OE1-NZ 2.61Å
99	R	57.9	Low	67.5	Low	135 Å²	135	90.1 Å²	90.1	51%	0.509	44%	0.444	S	S	.	.	H	α-helix	trans	-60.8	-31.2	175.1	-73.3	174.5	164.4	163.9	-8.1	112.6	N39 I40 T97	N39-R99 PolarHBondContact O-NH2 2.87Å; I40-R99 VanDerWaalsContact CG1-NH2 3.3Å; T97-R99 PolarHBondContact O-N 3.46Å
100	V	50.5	Low	65	Low	96 Å²	96	92 Å²	92	58%	0.582	46%	0.461	S	S	*	.	H	α-helix	trans	-85.2	-36.9	175.4	-171.4	0	0	0	0	110.8	T97 E98 K102 S103 A104	T97-V100 WeakPolarHBondContact O-CB 3.26Å; T97-V100 PolarHBondContact O-N 2.97Å; E98-V100 PolarHBondContact O-N 2.93Å; V100-K102 VanDerWaalsContact C-N 3.34Å; V100-K102 PolarHBondContact O-N 3.08Å; V100-S103 PolarHBondContact O-N 3.23Å; V100-S103 PolarHBondContact O-OG 3.34Å; V100-A104 PolarHBondContact O-N 3.06Å
101	L	50.2	Low	62.5	Low	106 Å²	106	94 Å²	94	56%	0.555	48%	0.478	S	S	*	.	H	α-helix	trans	-70.2	-27.8	179.5	-65.7	176.6	0	0	0	113.4	T97 E98 S103 A104 K105	T97-L101 PolarHBondContact O-N 2.71Å; E98-L101 PolarHBondContact O-N 3.05Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 2.75Å; L101-A104 HydrophobicContact CD2-CB 4.43Å; L101-A104 PolarHBondContact O-N 3.44Å; L101-K105 WeakPolarHBondContact O-CB 3.47Å; L101-K105 PolarHBondContact O-N 3.42Å
102	K	50.3	Low	60	Low	142 Å²	142	98 Å²	98	62%	0.617	51%	0.512	S	S	*	.	H	α-helix	trans	-62.5	-32.1	172	-92	168.3	163.7	154.5	0	113.5	E98 V100	E98-K102 PolarHBondContact O-N 3.27Å; E98-K102 WeakPolarHBondContact OE1-CD 3.5Å; E98-K102 WeakPolarHBondContact OE1-CE 3.2Å; E98-K102 IonicContact OE1-NZ 3.66Å; E98-K102 PolarHBondContact OE1-NZ 2.61Å; V100-K102 VanDerWaalsContact C-N 3.34Å; V100-K102 PolarHBondContact O-N 3.08Å
103	S	48.9	Very low	57	Low	71 Å²	71	102.1 Å²	102.1	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-85	-34.5	171.1	50.3	0	0	0	0	112.3	V100 L101 K106 R107	V100-S103 PolarHBondContact O-N 3.23Å; V100-S103 PolarHBondContact O-OG 3.34Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 2.75Å; S103-K106 PolarHBondContact O-N 3.05Å; S103-R107 PolarHBondContact O-N 2.89Å
104	A	48.2	Very low	54.6	Low	37 Å²	37	104.8 Å²	104.8	31%	0.306	56%	0.563	S	S	.	*	H	α-helix	trans	-67	-43.5	177.6	0	0	0	0	0	113.8	V100 L101 K106 R107 R108	V100-A104 PolarHBondContact O-N 3.06Å; L101-A104 HydrophobicContact CD2-CB 4.43Å; L101-A104 PolarHBondContact O-N 3.44Å; A104-K106 PolarHBondContact O-N 3.25Å; A104-R107 WeakPolarHBondContact O-CA 3.44Å; A104-R107 PolarHBondContact O-N 3.49Å; A104-R108 PolarHBondContact O-N 3.28Å
105	K	50.7	Low	52.1	Low	171 Å²	171	115 Å²	115	74%	0.743	60%	0.599	S	S	*	*	H	α-helix	trans	-62.1	-33.5	178.9	-170.4	163.4	-176.6	167.2	0	111.8	L101 R107 R108 A109	L101-K105 WeakPolarHBondContact O-CB 3.47Å; L101-K105 PolarHBondContact O-N 3.42Å; K105-R107 VanDerWaalsContact C-N 3.32Å; K105-R107 PolarHBondContact O-N 3.21Å; K105-R108 PolarHBondContact O-N 3.14Å; K105-A109 WeakPolarHBondContact O-CB 3.49Å; K105-A109 PolarHBondContact O-N 3.39Å; K105-A109 VanDerWaalsContact O-N 3.11Å
106	K	50.1	Low	49.6	Very low	167 Å²	167	118.8 Å²	118.8	73%	0.726	63%	0.632	S	S	*	*	H	α-helix	trans	-66.2	-29.3	172.3	-170.9	177.5	178.6	-176	0	113.2	S103 A104	S103-K106 PolarHBondContact O-N 3.05Å; A104-K106 PolarHBondContact O-N 3.25Å
107	R	49.5	Very low	47.2	Very low	201 Å²	201	119.9 Å²	119.9	76%	0.758	64%	0.642	S	S	*	*	H	α-helix	trans	-81.1	-34.5	175.2	-70.1	-178.4	65.9	178.7	-0.8	113.1	S103 A104 K105 T110	S103-R107 PolarHBondContact O-N 2.89Å; A104-R107 WeakPolarHBondContact O-CA 3.44Å; A104-R107 PolarHBondContact O-N 3.49Å; K105-R107 VanDerWaalsContact C-N 3.32Å; K105-R107 PolarHBondContact O-N 3.21Å; R107-T110 PolarHBondContact O-N 2.95Å; R107-T110 PolarHBondContact O-OG1 3.48Å
108	R	49.8	Very low	45.4	Very low	207 Å²	207	123.8 Å²	123.8	78%	0.781	66%	0.661	S	S	*	*	H	α-helix	trans	-71.6	-35.4	175.9	-73.6	-166.6	174	-146	-1.1	112.7	A104 K105 T110 A111	A104-R108 PolarHBondContact O-N 3.28Å; K105-R108 PolarHBondContact O-N 3.14Å; R108-T110 PolarHBondContact O-N 3.26Å; R108-A111 PolarHBondContact O-N 2.96Å
109	A	48.2	Very low	44.1	Very low	86 Å²	86	129.5 Å²	129.5	71%	0.711	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-3	174.7	0	0	0	0	0	115	K105	K105-A109 WeakPolarHBondContact O-CB 3.49Å; K105-A109 PolarHBondContact O-N 3.39Å; K105-A109 VanDerWaalsContact O-N 3.11Å
110	T	42	Very low	43	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	10.4	174.4	46	0	0	0	0	113.3	R107 R108	R107-T110 PolarHBondContact O-N 2.95Å; R107-T110 PolarHBondContact O-OG1 3.48Å; R108-T110 PolarHBondContact O-N 3.26Å
111	A	41.3	Very low	42.3	Very low	83 Å²	83	133.1 Å²	133.1	69%	0.686	72%	0.719	S	S	*	*	S	Bend	trans	-125	8.3	-173	0	0	0	0	0	114.2	R108	R108-A111 PolarHBondContact O-N 2.96Å
112	A	39.7	Very low	41.7	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	73%	0.73	S	S	*	*			trans	-128.7	86.8	-177.2	0	0	0	0	0	110.9
113	C	31.2	Very low	40.8	Very low	127 Å²	127	137.7 Å²	137.7	86%	0.858	74%	0.74	S	S	*	*			trans	-155.9	105.8	169.2	-75.7	0	0	0	0	109.7
114	P	40.7	Very low	40	Very low	124 Å²	124	142.3 Å²	142.3	81%	0.805	75%	0.753	S	S	*	*			trans	-87.9	-179.3	145.3	34.7	-29.4	0	0	0	111
115	R	38.8	Very low	39.2	Very low	232 Å²	232	148 Å²	148	88%	0.875	77%	0.774	S	S	*	*			trans	-137.5	-178.2	175.4	-91.6	-177.2	164.1	-179.7	-10.5	109
116	A	34	Very low	38.3	Very low	89 Å²	89	148.6 Å²	148.6	74%	0.736	78%	0.778	S	S	*	*			trans	82.7	104.4	-150.6	0	0	0	0	0	109.5
117	D	33.9	Very low	37.4	Very low	128 Å²	128	145.2 Å²	145.2	68%	0.684	78%	0.782	S	S	*	*			cis	86.3	122.9	26.2	-44.5	-64.3	0	0	0	113.8
118	D	36.2	Very low	36.7	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	78%	0.782	S	S	*	*			trans	78.7	147.4	161	-52.3	-39.2	0	0	0	124.2
119	D	33.3	Very low	36	Very low	159 Å²	159	138.2 Å²	138.2	85%	0.85	79%	0.793	S	S	*	*			trans	76.5	152	165.8	-57.5	-37.4	0	0	0	122.9
120	D	36.7	Very low	35.4	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	79%	0.787	S	S	*	*			trans	-111.3	-168	-157.8	-80.2	-70.2	0	0	0	114.4
121	D	34.2	Very low	35.1	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	78%	0.782	S	S	*	*			trans	86.5	107	166.8	-66.4	-39.9	0	0	0	120.5
122	E	38.3	Very low	34.8	Very low	172 Å²	172	140 Å²	140	80%	0.804	79%	0.79	S	S	*	*			trans	18.2	123.9	142.9	-53.4	-64.5	157.9	0	0	121.4
123	E	31.6	Very low	34.6	Very low	173 Å²	173	140.9 Å²	140.9	81%	0.808	79%	0.79	S	S	*	*				175.5	164.6	119.2	-97.1	-69.9	177	0	0	113.3
124	E	32	Very low	34.7	Very low	167 Å²	167	137.1 Å²	137.1	78%	0.78	77%	0.768	S	S	*	*			trans	63.6	127.9	162.8	-79.5	-162.8	136.5	0	0	124.6
125	E	30.7	Very low	34.4	Very low	158 Å²	158	135 Å²	135	74%	0.738	75%	0.75	S	S	*	*			trans	91.8	142.3	130.1	-85.3	-77.2	71	0	0	124.8
126	H	32.7	Very low	34.8	Very low	182 Å²	182	127 Å²	127	84%	0.843	73%	0.734	S	S	*	*			trans	-93.7	120.6	-175.3	-75.2	-101	0	0	0	113.9
127	A	31	Very low	35.3	Very low	96 Å²	96	127.6 Å²	127.6	79%	0.793	72%	0.722	S	S	*	*			trans	-148.4	147	164	0	0	0	0	0	113.6
128	P	34.9	Very low	35.9	Very low	119 Å²	119	126.8 Å²	126.8	77%	0.773	72%	0.716	S	S	*	*			trans	-86.5	141.3	-164.9	32.5	-36.3	0	0	0	115.7	G130	P128-G130 VanDerWaalsContact C-N 3.32Å; P128-G130 PolarHBondContact O-N 3.44Å
129	S	34.3	Very low	36.2	Very low	143 Å²	143	123.6 Å²	123.6	100%	1	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	72.9	172.3	-76.4	0	0	0	0	113.3
130	G	35.2	Very low	37	Very low	57 Å²	57	121.5 Å²	121.5	59%	0.588	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	-19.3	178.8	0	0	0	0	0	116.9	P128	P128-G130 VanDerWaalsContact C-N 3.32Å; P128-G130 PolarHBondContact O-N 3.44Å
131	V	37	Very low	37.3	Very low	107 Å²	107	121.2 Å²	121.2	65%	0.648	67%	0.669	S	S	*	*	H	α-helix	trans	-90.5	-25.3	-153.6	-172.6	0	0	0	0	115.1	C133 A134 D135	V131-C133 VanDerWaalsContact C-N 3.32Å; V131-C133 PolarHBondContact O-N 3Å; V131-A134 PolarHBondContact O-N 3.24Å; V131-D135 PolarHBondContact O-N 2.94Å
132	L	35.3	Very low	37.8	Very low	164 Å²	164	118.7 Å²	118.7	86%	0.859	65%	0.653	S	S	*	*	H	α-helix	trans	-77.9	-5.1	-170.2	-63.5	-178.3	0	0	0	116
133	C	34	Very low	38.4	Very low	104 Å²	104	115.3 Å²	115.3	70%	0.703	64%	0.635	S	S	*	*	H	α-helix	trans	-90.2	-40.3	171	-154.1	0	0	0	0	111.4	V131 E137	V131-C133 VanDerWaalsContact C-N 3.32Å; V131-C133 PolarHBondContact O-N 3Å; C133-E137 PolarHBondContact O-N 3.37Å
134	A	33.8	Very low	39.4	Very low	49 Å²	49	110.6 Å²	110.6	41%	0.405	62%	0.618	S	S	.	*	H	α-helix	trans	-71.1	-34.2	-176.3	0	0	0	0	0	113.5	V131 A136 E137 L138	V131-A134 PolarHBondContact O-N 3.24Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A134-A136 PolarHBondContact O-N 3.47Å; A134-E137 CarbonylContact O-C 3.56Å; A134-E137 VanDerWaalsContact O-C 3.27Å; A134-E137 VanDerWaalsContact O-CA 3.25Å; A134-E137 WeakPolarHBondContact O-CA 3.27Å; A134-E137 WeakPolarHBondContact O-CB 3.36Å; A134-E137 PolarHBondContact O-N 3.47Å; A134-L138 PolarHBondContact O-N 2.84Å
135	D	33.8	Very low	39.8	Very low	79 Å²	79	110.8 Å²	110.8	42%	0.422	61%	0.612	S	S	.	*	H	α-helix	trans	-63.6	-39.2	177.3	177.5	47.7	0	0	0	112.2	V131 E137 L138 M139	V131-D135 PolarHBondContact O-N 2.94Å; D135-E137 PolarHBondContact O-N 2.88Å; D135-L138 PolarHBondContact O-N 3.46Å; D135-L138 VanDerWaalsContact O-N 3.12Å; D135-M139 PolarHBondContact O-N 2.96Å; D135-M139 VanDerWaalsContact OD2-CE 3.3Å; D135-M139 WeakPolarHBondContact OD2-CE 3.39Å
136	A	48.3	Very low	40.2	Very low	65 Å²	65	110.5 Å²	110.5	54%	0.537	61%	0.608	S	S	.	*	H	α-helix	trans	-62.4	-31.1	168.9	0	0	0	0	0	112.2	A134	A134-A136 VanDerWaalsContact C-N 3.34Å; A134-A136 PolarHBondContact O-N 3.47Å
137	E	45.1	Very low	40.9	Very low	101 Å²	101	106.7 Å²	106.7	47%	0.472	60%	0.602	S	S	.	*	H	α-helix	trans	-82.4	-5.4	175.6	-151.5	175.6	-174.2	0	0	114.2	C133 A134 D135 W140	C133-E137 PolarHBondContact O-N 3.37Å; A134-E137 CarbonylContact O-C 3.56Å; A134-E137 VanDerWaalsContact O-C 3.27Å; A134-E137 VanDerWaalsContact O-CA 3.25Å; A134-E137 WeakPolarHBondContact O-CA 3.27Å; A134-E137 WeakPolarHBondContact O-CB 3.36Å; A134-E137 PolarHBondContact O-N 3.47Å; D135-E137 PolarHBondContact O-N 2.88Å; E137-W140 VanDerWaalsContact CA-CD1 3.41Å; E137-W140 VanDerWaalsContact CA-NE1 3.26Å; E137-W140 HydrophobicContact CG-CZ2 4.09Å; E137-W140 PolarHBondContact O-NE1 3.11Å
138	L	46.1	Very low	41.4	Very low	110 Å²	110	108.3 Å²	108.3	58%	0.576	60%	0.597	S	S	*	*	H	α-helix	trans	-103	-47.8	170.5	-68	174.8	0	0	0	111.7	A134 D135 W140 K141 E142	A134-L138 PolarHBondContact O-N 2.84Å; D135-L138 PolarHBondContact O-N 3.46Å; D135-L138 VanDerWaalsContact O-N 3.12Å; L138-W140 VanDerWaalsContact C-N 3.28Å; L138-W140 PolarHBondContact O-N 2.71Å; L138-K141 WeakPolarHBondContact O-CB 3.46Å; L138-K141 PolarHBondContact O-N 3.29Å; L138-E142 PolarHBondContact O-N 3.29Å
139	M	42.3	Very low	41.4	Very low	84 Å²	84	108.5 Å²	108.5	41%	0.414	59%	0.587	S	S	.	*	H	α-helix	trans	-60.3	-30.6	-177.5	-90.7	-151.3	-91.4	0	0	114.6	D135 K143	D135-M139 PolarHBondContact O-N 2.96Å; D135-M139 VanDerWaalsContact OD2-CE 3.3Å; D135-M139 WeakPolarHBondContact OD2-CE 3.39Å; M139-K143 VanDerWaalsContact O-CB 3.29Å; M139-K143 WeakPolarHBondContact O-CB 3.45Å; M139-K143 VanDerWaalsContact O-CD 3.28Å; M139-K143 WeakPolarHBondContact O-CD 3.34Å; M139-K143 WeakPolarHBondContact O-CG 3.22Å; M139-K143 PolarHBondContact O-N 3.25Å; M139-K143 PolarHBondContact O-NZ 3.36Å
140	W	49.5	Very low	41.3	Very low	114 Å²	114	105.2 Å²	105.2	43%	0.432	58%	0.576	S	S	.	*	H	α-helix	trans	-73.4	-41.9	173.1	75.7	-45.8	0	0	0	112.5	L52 E137 L138 K143 V144	L52-W140 HydrophobicContact CD2-CH2 4.29Å; L52-W140 HydrophobicContact CD2-CZ3 3.91Å; E137-W140 VanDerWaalsContact CA-CD1 3.41Å; E137-W140 VanDerWaalsContact CA-NE1 3.26Å; E137-W140 HydrophobicContact CG-CZ2 4.09Å; E137-W140 PolarHBondContact O-NE1 3.11Å; L138-W140 VanDerWaalsContact C-N 3.28Å; L138-W140 PolarHBondContact O-N 2.71Å; W140-K143 PolarHBondContact O-N 3.1Å; W140-V144 WeakPolarHBondContact O-CB 3.37Å; W140-V144 VanDerWaalsContact O-CG2 3.26Å; W140-V144 WeakPolarHBondContact O-CG2 3.42Å; W140-V144 PolarHBondContact O-N 3.41Å
141	K	43.4	Very low	41.2	Very low	150 Å²	150	108.3 Å²	108.3	65%	0.652	58%	0.583	S	S	*	*	H	α-helix	trans	-63.1	-46.3	-178.2	-172.1	179.6	179.5	-175.8	0	110.5	L138 W145	L138-K141 WeakPolarHBondContact O-CB 3.46Å; L138-K141 PolarHBondContact O-N 3.29Å; K141-W145 WeakPolarHBondContact O-CB 3.18Å; K141-W145 PolarHBondContact O-N 3.39Å; K141-W145 VanDerWaalsContact O-N 3.08Å
142	E	44.1	Very low	41.2	Very low	98 Å²	98	109 Å²	109	46%	0.458	59%	0.59	S	S	.	*	H	α-helix	trans	-62.2	-48.5	173.4	-177.7	-164.8	-134.2	0	0	112.4	L138 V144 W145 F146	L138-E142 PolarHBondContact O-N 3.29Å; E142-V144 VanDerWaalsContact C-N 3.33Å; E142-V144 PolarHBondContact O-N 2.85Å; E142-W145 WeakPolarHBondContact O-CB 3.26Å; E142-W145 PolarHBondContact O-N 3.39Å; E142-F146 HydrophobicContact CG-CD2 3.89Å; E142-F146 HydrophobicContact CG-CE2 3.72Å; E142-F146 VanDerWaalsContact O-CD2 3.3Å; E142-F146 WeakPolarHBondContact O-CD2 3.25Å; E142-F146 PolarHBondContact O-N 2.87Å
143	K	50.9	Low	40.9	Very low	102 Å²	102	110 Å²	110	44%	0.443	59%	0.59	S	S	.	*	H	α-helix	trans	-72.7	-25.4	-176.9	-71	167.9	-171.7	60	0	113.3	M139 W140 S147	M139-K143 VanDerWaalsContact O-CB 3.29Å; M139-K143 WeakPolarHBondContact O-CB 3.45Å; M139-K143 VanDerWaalsContact O-CD 3.28Å; M139-K143 WeakPolarHBondContact O-CD 3.34Å; M139-K143 WeakPolarHBondContact O-CG 3.22Å; M139-K143 PolarHBondContact O-N 3.25Å; M139-K143 PolarHBondContact O-NZ 3.36Å; W140-K143 PolarHBondContact O-N 3.1Å; K143-S147 WeakPolarHBondContact O-CB 3.39Å; K143-S147 PolarHBondContact O-N 3.08Å; K143-S147 PolarHBondContact O-OG 3.28Å
144	V	53.3	Low	40.7	Very low	73 Å²	73	112.4 Å²	112.4	44%	0.442	60%	0.596	S	S	.	*	H	α-helix	trans	-70.8	-43	168.7	169.4	0	0	0	0	110.4	W140 E142 F146 S147 L148	W140-V144 WeakPolarHBondContact O-CB 3.37Å; W140-V144 VanDerWaalsContact O-CG2 3.26Å; W140-V144 WeakPolarHBondContact O-CG2 3.42Å; W140-V144 PolarHBondContact O-N 3.41Å; E142-V144 VanDerWaalsContact C-N 3.33Å; E142-V144 PolarHBondContact O-N 2.85Å; V144-F146 PolarHBondContact O-N 2.87Å; V144-S147 CarbonylContact O-C 3.45Å; V144-S147 WeakPolarHBondContact O-CA 3.44Å; V144-S147 PolarHBondContact O-N 3Å; V144-L148 PolarHBondContact O-N 2.86Å; V144-L148 VanDerWaalsContact O-N 3.09Å
145	W	40.7	Very low	40.5	Very low	172 Å²	172	117.7 Å²	117.7	65%	0.652	62%	0.617	S	S	*	*	H	α-helix	trans	-55.5	-51.9	175.1	-174.3	-98.8	0	0	0	112.2	K141 E142 S147 L148	K141-W145 WeakPolarHBondContact O-CB 3.18Å; K141-W145 PolarHBondContact O-N 3.39Å; K141-W145 VanDerWaalsContact O-N 3.08Å; E142-W145 WeakPolarHBondContact O-CB 3.26Å; E142-W145 PolarHBondContact O-N 3.39Å; W145-S147 PolarHBondContact O-N 3.25Å; W145-S147 VanDerWaalsContact O-N 3.16Å; W145-L148 PolarHBondContact O-N 2.91Å
146	F	38.4	Very low	40.4	Very low	152 Å²	152	118.3 Å²	118.3	67%	0.667	63%	0.633	S	S	*	*	H	α-helix	trans	-67.6	-8.7	174.7	-72.8	-64.5	0	0	0	115	E142 V144	E142-F146 HydrophobicContact CG-CD2 3.89Å; E142-F146 HydrophobicContact CG-CE2 3.72Å; E142-F146 VanDerWaalsContact O-CD2 3.3Å; E142-F146 WeakPolarHBondContact O-CD2 3.25Å; E142-F146 PolarHBondContact O-N 2.87Å; V144-F146 PolarHBondContact O-N 2.87Å
147	S	46.4	Very low	39.4	Very low	101 Å²	101	123 Å²	123	71%	0.706	65%	0.648	S	S	*	*	H	α-helix	trans	-100.5	-10.6	175.6	-60.1	0	0	0	0	113.5	K143 V144 W145	K143-S147 WeakPolarHBondContact O-CB 3.39Å; K143-S147 PolarHBondContact O-N 3.08Å; K143-S147 PolarHBondContact O-OG 3.28Å; V144-S147 CarbonylContact O-C 3.45Å; V144-S147 WeakPolarHBondContact O-CA 3.44Å; V144-S147 PolarHBondContact O-N 3Å; W145-S147 PolarHBondContact O-N 3.25Å; W145-S147 VanDerWaalsContact O-N 3.16Å
148	L	41.6	Very low	38.7	Very low	131 Å²	131	128.1 Å²	128.1	69%	0.686	67%	0.671	S	S	*	*	H	α-helix	trans	-101.8	-25.6	-175.2	-145.4	72.5	0	0	0	112.9	V144 W145	V144-L148 PolarHBondContact O-N 2.86Å; V144-L148 VanDerWaalsContact O-N 3.09Å; W145-L148 PolarHBondContact O-N 2.91Å
149	H	35.3	Very low	37.9	Very low	122 Å²	122	126.1 Å²	126.1	57%	0.565	68%	0.678	S	S	*	*	S	Bend	trans	-103	120.2	172	-65.2	-79.2	0	0	0	110.3
150	G	32.8	Very low	37.4	Very low	74 Å²	74	134 Å²	134	76%	0.763	70%	0.703	S	S	*	*			trans	-73.4	134	178.6	0	0	0	0	0	112.7
151	V	33.4	Very low	36.4	Very low	122 Å²	122	135.9 Å²	135.9	74%	0.739	73%	0.727	S	S	*	*			trans	29.4	104	148.6	-174.1	0	0	0	0	117
152	P	36.6	Very low	35.7	Very low	122 Å²	122	132.2 Å²	132.2	79%	0.792	73%	0.732	S	S	*	*			trans	-69.2	145.7	146	31.8	-32.5	0	0	0	110
153	E	29.2	Very low	35	Very low	185 Å²	185	139 Å²	139	86%	0.864	75%	0.753	S	S	*	*			trans	-68.4	162.5	-170.6	-66.6	174.8	101	0	0	114.7	L155	E153-L155 PolarHBondContact O-N 3.36Å
154	N	29.6	Very low	33.9	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	77%	0.765	S	S	*	*			trans	-72.1	112.6	172.3	-95.9	-96.2	0	0	0	111
155	L	29.5	Very low	32.7	Very low	160 Å²	160	147.1 Å²	147.1	84%	0.838	77%	0.773	S	S	*	*			trans	-113.8	99.6	153.7	-80	175.7	0	0	0	109.9	E153 L157	E153-L155 PolarHBondContact O-N 3.36Å; L155-L157 PolarHBondContact O-N 3.13Å
156	A	31.3	Very low	32	Very low	92 Å²	92	145 Å²	145	76%	0.76	77%	0.77	S	S	*	*			trans	-75.5	110.6	174.6	0	0	0	0	0	110.3
157	L	28.6	Very low	31.6	Very low	163 Å²	163	145.6 Å²	145.6	85%	0.853	78%	0.78	S	S	*	*			trans	-110.7	82.3	175.6	-75	175.5	0	0	0	112.2	L155 G159	L155-L157 PolarHBondContact O-N 3.13Å; L157-G159 PolarHBondContact O-N 3.24Å
158	H	30.5	Very low	30.4	Very low	208 Å²	208	146 Å²	146	96%	0.963	78%	0.783	S	S	*	*			trans	-71.7	105.7	150.3	-101.8	-76.4	0	0	0	108.1
159	G	28.4	Very low	30.4	Very low	69 Å²	69	145.3 Å²	145.3	71%	0.711	79%	0.786	S	S	*	*			trans	-147.7	105.5	-176.9	0	0	0	0	0	113	L157	L157-G159 PolarHBondContact O-N 3.24Å
160	R	32.3	Very low	29.9	Very low	249 Å²	249	144.6 Å²	144.6	94%	0.94	80%	0.795	S	S	*	*			trans	-58.3	142.5	178.1	-74.3	166.3	149.2	-178	-7.9	112.3	G162	R160-G162 PolarHBondContact O-N 3.1Å
161	T	27.7	Very low	29.5	Very low	154 Å²	154	145.5 Å²	145.5	95%	0.945	79%	0.789	S	S	*	*			trans	-67.3	112.2	156	41.6	0	0	0	0	109.7
162	G	28.5	Very low	29.2	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	79%	0.788	S	S	*	*			trans	-131.1	127	-179.4	0	0	0	0	0	111	R160	R160-G162 PolarHBondContact O-N 3.1Å
163	R	30.3	Very low	28.9	Very low	239 Å²	239	145.9 Å²	145.9	90%	0.902	79%	0.787	S	S	*	*			trans	-80.7	135.4	-174.8	-90.8	-170.2	-173.5	-96.8	7.8	112.5
164	R	27.8	Very low	28.9	Very low	182 Å²	182	142.3 Å²	142.3	69%	0.687	78%	0.778	S	S	*	*				83	135.1	123.7	179.8	-179.6	-166.1	-106	3.4	119.3
165	R	28.3	Very low	28.8	Very low	165 Å²	165	141.9 Å²	141.9	62%	0.623	78%	0.776	S	S	*	*			trans	74.4	152.9	156.5	-86.3	-170.4	169.5	-166	-21.7	117.9
166	E	25	Very low	28.9	Very low	127 Å²	127	137.6 Å²	137.6	59%	0.593	76%	0.764	S	S	*	*			cis	-162.8	167.3	-22.8	-140	153.7	-132.6	0	0	106.2
167	L	29.6	Very low	29	Very low	164 Å²	164	142.5 Å²	142.5	86%	0.859	77%	0.768	S	S	*	*			trans	67	111.6	167.8	-54.1	171.1	0	0	0	119.1
168	S	23.1	Very low	29.4	Very low	111 Å²	111	142 Å²	142	78%	0.776	77%	0.765	S	S	*	*			trans	-82.3	175.7	137.5	-51.3	0	0	0	0	108.4
169	P	40.8	Very low	30.1	Very low	116 Å²	116	137 Å²	137	75%	0.753	75%	0.751	S	S	*	*			cis	-141	-144.5	14.5	44.8	-23.8	0	0	0	113.5
170	S	24.4	Very low	30.2	Very low	106 Å²	106	140.9 Å²	140.9	74%	0.741	75%	0.751	S	S	*	*			trans	70.6	142.1	179.6	78	0	0	0	0	113.6
171	S	24.5	Very low	30.1	Very low	93 Å²	93	136.7 Å²	136.7	65%	0.65	74%	0.74	S	S	*	*			cis	155.7	170	-24.5	51.3	0	0	0	0	105.3
172	C	27.1	Very low	30.3	Very low	107 Å²	107	139.4 Å²	139.4	72%	0.723	73%	0.734	S	S	*	*			trans	59.4	150.5	166	39.1	0	0	0	0	118.3
173	L	30.9	Very low	30.6	Very low	145 Å²	145	145.1 Å²	145.1	76%	0.759	74%	0.741	S	S	*	*			cis	-161	154.7	-13.6	-111.4	163.8	0	0	0	109.7
174	T	28.4	Very low	30.6	Very low	111 Å²	111	142.5 Å²	142.5	68%	0.681	74%	0.736	S	S	*	*			trans	59.2	151.5	146.8	48.3	0	0	0	0	124.6
175	D	27.5	Very low	30.9	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	73%	0.732	S	S	*	*			trans	76.3	143.9	140.7	-87.8	37.2	0	0	0	122.3
176	A	32.6	Very low	31.1	Very low	71 Å²	71	138.8 Å²	138.8	59%	0.587	75%	0.745	S	S	*	*			cis	-172.3	-178.4	-26.8	0	0	0	0	0	110.5
177	K	33.4	Very low	31.3	Very low	194 Å²	194	135.8 Å²	135.8	84%	0.843	75%	0.749	S	S	*	*			trans	69.6	92.4	155.8	-58.5	-155.5	179.8	-179	0	118.5
178	L	36.7	Very low	31.6	Very low	153 Å²	153	139.5 Å²	139.5	80%	0.801	75%	0.751	S	S	*	*				-41.2	155.3	123	-113.3	74.9	0	0	0	111.1
179	P	44	Very low	31.8	Very low	103 Å²	103	142.3 Å²	142.3	67%	0.669	76%	0.758	S	S	*	*				-154.7	157	57.1	43.3	-22.8	0	0	0	119.7
180	Q	31.4	Very low	31.2	Very low	150 Å²	150	142 Å²	142	70%	0.701	76%	0.757	S	S	*	*			trans	68.3	141.1	130.2	-74.6	177.1	-6.5	0	0	125.5
181	F	29.5	Very low	31.4	Very low	162 Å²	162	147.7 Å²	147.7	71%	0.711	76%	0.763	S	S	*	*			trans	56.6	107	143	-65.7	-56.9	0	0	0	123.2
182	Y	33.4	Very low	31.5	Very low	210 Å²	210	155.1 Å²	155.1	82%	0.824	78%	0.776	S	S	*	*				45.6	124.3	121.5	-87.6	-111	0	0	0	120.3
183	H	33.1	Very low	31.6	Very low	193 Å²	193	155 Å²	155	89%	0.894	77%	0.772	S	S	*	*				-151.1	144.4	125.8	-126.7	-84.5	0	0	0	115.3
184	K	30.7	Very low	31.5	Very low	185 Å²	185	154 Å²	154	80%	0.804	77%	0.773	S	S	*	*			trans	-90.3	163.4	163.9	-96.4	-174.4	175.3	175.3	0	108.9
185	A	35.7	Very low	31.6	Very low	73 Å²	73	158.8 Å²	158.8	60%	0.603	78%	0.784	S	S	*	*			cis	-167	167.7	-8	0	0	0	0	0	110
186	H	32.5	Very low	32	Very low	195 Å²	195	157.4 Å²	157.4	90%	0.903	79%	0.786	S	S	*	*			trans	146.3	134.8	140.7	-78.7	-1.6	0	0	0	110.3
187	G	28.5	Very low	31.8	Very low	65 Å²	65	160.1 Å²	160.1	67%	0.67	80%	0.8	S	S	*	*			cis	171.3	141.3	-9.5	0	0	0	0	0	112
188	R	35.1	Very low	31.6	Very low	241 Å²	241	161.7 Å²	161.7	91%	0.909	80%	0.801	S	S	*	*			trans	178.6	87.6	157	-109	-180	-74.1	-140.8	2	110.4
189	D	27.1	Very low	31.4	Very low	171 Å²	171	163.1 Å²	163.1	91%	0.914	80%	0.801	S	S	*	*			trans	-83.4	127.5	166.7	-78.1	-60.5	0	0	0	110.3
190	C	28.5	Very low	30.6	Very low	110 Å²	110	166 Å²	166	74%	0.743	81%	0.805	S	S	*	*			trans	-120	100.1	172.1	-79.8	0	0	0	0	109.8
191	R	29	Very low	30.6	Very low	225 Å²	225	163.2 Å²	163.2	85%	0.849	80%	0.798	S	S	*	*			trans	-76.7	129.6	-177.1	-163	-178.6	-156.4	-122.5	8.2	111.1
192	W	27.3	Very low	30.8	Very low	248 Å²	248	164.4 Å²	164.4	94%	0.939	80%	0.803	S	S	*	*			trans	-95.9	130.7	173.7	-71.7	-6.5	0	0	0	111.9
193	T	28.8	Very low	30.7	Very low	104 Å²	104	160.7 Å²	160.7	64%	0.638	80%	0.797	S	S	*	*			trans	-140.4	112.2	172.4	53.1	0	0	0	0	111.9
194	T	29	Very low	30.7	Very low	125 Å²	125	161.9 Å²	161.9	77%	0.767	80%	0.795	S	S	*	*			trans	13.9	128.2	146.9	48.4	0	0	0	0	120.4
195	K	30	Very low	30.7	Very low	211 Å²	211	161.3 Å²	161.3	92%	0.917	80%	0.795	S	S	*	*				-173.9	165.8	118.2	-100.8	155.9	-172.6	175.5	0	113.4
196	S	34.7	Very low	30.8	Very low	117 Å²	117	163.6 Å²	163.6	82%	0.818	80%	0.802	S	S	*	*			trans	-99.6	166.2	178.6	54.5	0	0	0	0	112.4
197	S	29.8	Very low	30.8	Very low	127 Å²	127	161 Å²	161	89%	0.888	79%	0.79	S	S	*	*			trans	-147.1	162.4	161	67.6	0	0	0	0	111
198	R	28.5	Very low	30.9	Very low	228 Å²	228	165.4 Å²	165.4	86%	0.86	79%	0.791	S	S	*	*			trans	-154.6	155.7	-171.4	-167.6	-177.8	-174.3	-168	3.8	109.4
199	K	32.7	Very low	31.1	Very low	182 Å²	182	163.6 Å²	163.6	79%	0.791	79%	0.79	S	S	*	*			trans	77.4	162.1	-179.7	-45.6	179.4	-175.5	-179.8	0	112.4
200	H	27	Very low	31.3	Very low	165 Å²	165	162.6 Å²	162.6	76%	0.764	79%	0.79	S	S	*	*			cis	-140.1	174.2	16.3	-156.5	-93.4	0	0	0	114.7
201	V	31.5	Very low	31.3	Very low	91 Å²	91	160.6 Å²	160.6	55%	0.552	79%	0.789	S	S	*	*			trans	-70.9	151.6	-175.7	-179.7	0	0	0	0	113.5	N203	V201-N203 VanDerWaalsContact CG1-OD1 3.26Å; V201-N203 WeakPolarHBondContact CG1-OD1 3.42Å
202	K	32.9	Very low	31.3	Very low	186 Å²	186	156.4 Å²	156.4	81%	0.809	78%	0.783	S	S	*	*			trans	-124.6	119.7	147.7	-77.3	-169.3	175.6	-176.8	0	110.1
203	N	31.8	Very low	31.4	Very low	132 Å²	132	156.4 Å²	156.4	71%	0.706	78%	0.783	S	S	*	*			trans	-86.4	154.2	164.3	-64.5	-18.2	0	0	0	108.7	V201	V201-N203 VanDerWaalsContact CG1-OD1 3.26Å; V201-N203 WeakPolarHBondContact CG1-OD1 3.42Å
204	Y	32.8	Very low	31.6	Very low	219 Å²	219	160.1 Å²	160.1	86%	0.859	79%	0.791	S	S	*	*			trans	-139	126.5	145.9	-81.5	-70.6	0	0	0	108.6
205	E	31	Very low	31.6	Very low	172 Å²	172	158 Å²	158	80%	0.804	79%	0.785	S	S	*	*			trans	-109.9	-179.7	171.5	-166.9	173	177.4	0	0	107.7
206	T	37.4	Very low	31.6	Very low	121 Å²	121	154.4 Å²	154.4	74%	0.742	78%	0.781	S	S	*	*			trans	69.5	142.8	173.3	73.2	0	0	0	0	116.1
207	E	32.7	Very low	31.6	Very low	140 Å²	140	153.7 Å²	153.7	65%	0.654	78%	0.776	S	S	*	*			cis	-160.6	171.3	-5.2	-125.9	-173.2	153.6	0	0	114.9
208	K	30.9	Very low	31.8	Very low	159 Å²	159	157.1 Å²	157.1	69%	0.691	78%	0.778	S	S	*	*			trans	59	96.6	146.8	-74.6	163.6	179.5	140.3	0	122.2
209	F	40.5	Very low	32	Very low	203 Å²	203	156.4 Å²	156.4	89%	0.89	78%	0.775	S	S	*	*				34	111.1	112.8	-111.5	-86	0	0	0	121
210	T	30.2	Very low	32.1	Very low	149 Å²	149	154.5 Å²	154.5	91%	0.914	77%	0.769	S	S	*	*			trans	-155.5	146.2	135.8	53.2	0	0	0	0	108
211	G	28.3	Very low	32.2	Very low	69 Å²	69	151.7 Å²	151.7	71%	0.711	77%	0.774	S	S	*	*			cis	-173.8	161	-7.6	0	0	0	0	0	111.1
212	N	29.2	Very low	32.4	Very low	136 Å²	136	155.3 Å²	155.3	73%	0.727	78%	0.783	S	S	*	*			trans	-22.4	137.3	-176.5	-67.5	-9.8	0	0	0	120.4
213	R	30.7	Very low	32.3	Very low	248 Å²	248	155.4 Å²	155.4	94%	0.936	78%	0.783	S	S	*	*				-156.6	140	108	-117.6	172.5	-73.1	-159.4	1	114.3
214	F	31.9	Very low	32.4	Very low	183 Å²	183	160 Å²	160	80%	0.803	79%	0.791	S	S	*	*			trans	-81.9	-178	166.1	-66.6	-105	0	0	0	108.9
215	A	29.6	Very low	32.3	Very low	79 Å²	79	158.5 Å²	158.5	65%	0.653	79%	0.792	S	S	*	*			cis	-164.4	177.6	18.8	0	0	0	0	0	112.9
216	V	29.7	Very low	32.6	Very low	137 Å²	137	155.4 Å²	155.4	83%	0.83	79%	0.787	S	S	*	*			trans	59.5	109.6	150.8	176.5	0	0	0	0	116.3
217	S	34.3	Very low	32.5	Very low	101 Å²	101	156.1 Å²	156.1	71%	0.706	79%	0.79	S	S	*	*			cis	73.2	113.5	39	-161.4	0	0	0	0	115.6
218	Q	33.5	Very low	32.5	Very low	200 Å²	200	155.7 Å²	155.7	94%	0.935	79%	0.792	S	S	*	*			trans	-130.4	150	155	-158.2	169.7	17.9	0	0	108.8
219	R	32.5	Very low	32.5	Very low	212 Å²	212	156.1 Å²	156.1	80%	0.8	79%	0.794	S	S	*	*			trans	-108.5	145.5	-157.6	-75.9	-177	171.8	-178.4	-3.1	114.4
220	H	35.9	Very low	32.2	Very low	143 Å²	143	155 Å²	155	66%	0.662	79%	0.792	S	S	*	*			trans	29.6	123.4	143.3	-65.4	-101.5	0	0	0	120.2	F222	H220-F222 HydrophobicContact CB-CE2 4.25Å; H220-F222 AromaticContact CE1-CZ 3.86Å; H220-F222 AromaticContact ND1-CE2 3.42Å; H220-F222 WeakPolarHBondContact ND1-CE2 3.47Å; H220-F222 AromaticContact ND1-CZ 3.38Å; H220-F222 WeakPolarHBondContact ND1-CZ 3.33Å
221	A	29.1	Very low	32.2	Very low	106 Å²	106	153.3 Å²	153.3	88%	0.876	79%	0.786	S	S	*	*				-126.6	145.4	125.1	0	0	0	0	0	108.3
222	F	34.7	Very low	32.2	Very low	166 Å²	166	154.3 Å²	154.3	73%	0.728	79%	0.788	S	S	*	*			trans	-97.6	143.3	-178.6	-67.3	-103.1	0	0	0	110.7	H220	H220-F222 HydrophobicContact CB-CE2 4.25Å; H220-F222 AromaticContact CE1-CZ 3.86Å; H220-F222 AromaticContact ND1-CE2 3.42Å; H220-F222 WeakPolarHBondContact ND1-CE2 3.47Å; H220-F222 AromaticContact ND1-CZ 3.38Å; H220-F222 WeakPolarHBondContact ND1-CZ 3.33Å
223	F	31.2	Very low	32.4	Very low	188 Å²	188	152.9 Å²	152.9	83%	0.825	80%	0.795	S	S	*	*				-165.7	129	125.8	-112.1	-76.5	0	0	0	111.8
224	R	33.7	Very low	32.2	Very low	229 Å²	229	146.1 Å²	146.1	86%	0.864	79%	0.792	S	S	*	*			trans	36.9	123	164.3	-69.8	172.2	-171.1	-113.6	0	121.1
225	Q	31.4	Very low	32.1	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	79%	0.794	S	S	*	*			trans	-76.8	175.3	170.6	-72.2	-180	-20	0	0	113.4
226	P	36.6	Very low	32.4	Very low	108 Å²	108	143 Å²	143	70%	0.701	80%	0.8	S	S	*	*			cis	-133	156.4	-32.4	31.5	-14.7	0	0	0	114.2
227	V	36.8	Very low	32.6	Very low	135 Å²	135	144.9 Å²	144.9	82%	0.818	80%	0.8	S	S	*	*			trans	-113.9	165.6	144.4	174.8	0	0	0	0	106.5
228	L	32.5	Very low	32.3	Very low	131 Å²	131	144.2 Å²	144.2	69%	0.686	80%	0.795	S	S	*	*			trans	89.8	151.5	-174.3	-51.7	166.2	0	0	0	113.6
229	F	30.6	Very low	32.1	Very low	169 Å²	169	145.4 Å²	145.4	74%	0.741	79%	0.791	S	S	*	*			cis	-129.5	145.1	9.4	-110.5	-65.6	0	0	0	114.3
230	Q	34.7	Very low	32.1	Very low	178 Å²	178	143 Å²	143	83%	0.832	79%	0.793	S	S	*	*			trans	-80.8	121.5	150.3	171.6	-175.9	73.3	0	0	108.2
231	S	28.6	Very low	31.8	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	80%	0.799	S	S	*	*			trans	-99.3	141.4	174	-66.6	0	0	0	0	111
232	A	28.4	Very low	31.9	Very low	90 Å²	90	148.1 Å²	148.1	74%	0.744	80%	0.801	S	S	*	*			trans	-132.7	148.8	-171.3	0	0	0	0	0	114
233	A	33.2	Very low	31.5	Very low	105 Å²	105	145.8 Å²	145.8	87%	0.868	81%	0.806	S	S	*	*			trans	68	136.6	154.2	0	0	0	0	0	121.1
234	A	27.2	Very low	31.5	Very low	106 Å²	106	141.7 Å²	141.7	88%	0.876	81%	0.806	S	S	*	*			trans	-138.8	145.8	145.1	0	0	0	0	0	108.3
235	A	30.5	Very low	31.4	Very low	103 Å²	103	134.4 Å²	134.4	85%	0.851	80%	0.802	S	S	*	*			trans	-151.2	169.8	-174.3	0	0	0	0	0	111.2
236	A	34.3	Very low	31.6	Very low	94 Å²	94	132.2 Å²	132.2	78%	0.777	80%	0.797	S	S	*	*			cis	-119.4	-99.4	-6	0	0	0	0	0	112.6
237	Q	34.4	Very low	31.5	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.822	80%	0.801	S	S	*	*			cis	-161.5	169.3	-2.1	-101.4	-150.5	81.7	0	0	106.9
238	S	28.5	Very low	31.6	Very low	87 Å²	87	132.2 Å²	132.2	61%	0.608	79%	0.794	S	S	*	*			cis	-177.6	170.3	-19.7	-176.8	0	0	0	0	109.3
239	R	29.8	Very low	31.7	Very low	226 Å²	226	135.5 Å²	135.5	85%	0.853	81%	0.806	S	S	*	*			trans	70.6	153.2	171.7	-55.9	-179.1	-176.4	-125.6	0.7	118.3
240	L	32	Very low	32.1	Very low	162 Å²	162	137 Å²	137	85%	0.848	81%	0.812	S	S	*	*			cis	-175.6	115.2	-42.8	-119.9	172.7	0	0	0	111.3
241	S	29.3	Very low	32	Very low	113 Å²	113	140.4 Å²	140.4	79%	0.79	82%	0.817	S	S	*	*			trans	-178.7	133.7	149.7	55.2	0	0	0	0	115.8
242	R	30.6	Very low	32.2	Very low	243 Å²	243	144 Å²	144	92%	0.917	82%	0.819	S	S	*	*			trans	1.9	154.6	140.8	-74	176.4	172.8	-170.6	-4.3	119.6
243	S	27.9	Very low	32.4	Very low	117 Å²	117	149.9 Å²	149.9	82%	0.818	82%	0.821	S	S	*	*			cis	-170.3	147.7	-1.3	164.3	0	0	0	0	109.4
244	A	30	Very low	32.3	Very low	101 Å²	101	152.7 Å²	152.7	84%	0.835	81%	0.81	S	S	*	*			trans	-140.6	137.3	171.2	0	0	0	0	0	111.3
245	G	32.6	Very low	32.6	Very low	76 Å²	76	155.9 Å²	155.9	78%	0.784	80%	0.799	S	S	*	*			trans	-89.9	171	-171.5	0	0	0	0	0	115.7
246	D	35.8	Very low	32.7	Very low	142 Å²	142	157 Å²	157	76%	0.759	79%	0.787	S	S	*	*			trans	-72.8	153.8	-177.9	-173.8	19.8	0	0	0	113.5	L248	D246-L248 PolarHBondContact OD1-N 3.32Å
247	S	34.1	Very low	32.5	Very low	114 Å²	114	156 Å²	156	80%	0.797	79%	0.785	S	S	*	*			trans	-163.5	76.5	158.7	40.4	0	0	0	0	112
248	L	39.6	Very low	32.3	Very low	128 Å²	128	152 Å²	152	67%	0.67	79%	0.791	S	S	*	*			trans	-52.4	145	153.8	-73.6	166.8	0	0	0	111.2	D246	D246-L248 PolarHBondContact OD1-N 3.32Å
249	H	34.3	Very low	32.5	Very low	201 Å²	201	151.5 Å²	151.5	93%	0.931	80%	0.8	S	S	*	*			trans	-172.2	142.6	137.6	-100.5	90.6	0	0	0	110.7
250	K	38.6	Very low	32.7	Very low	200 Å²	200	151.2 Å²	151.2	87%	0.87	80%	0.799	S	S	*	*			trans	-124.7	133.2	-176.2	-97.5	-172.7	176.7	177.5	0	112.7
251	R	32.1	Very low	32.6	Very low	249 Å²	249	148.4 Å²	148.4	94%	0.94	79%	0.793	S	S	*	*			trans	-163.6	118.2	160.1	-137.3	173	-178.4	-180	0.2	107.6
252	K	33.4	Very low	32.8	Very low	192 Å²	192	152 Å²	152	84%	0.835	79%	0.794	S	S	*	*			cis	98.5	91.2	23.3	-166.4	-177.7	176.3	-177.9	0	114.9
253	R	31.8	Very low	32.7	Very low	212 Å²	212	148.4 Å²	148.4	80%	0.8	79%	0.787	S	S	*	*			trans	61.5	165.8	162.4	-100.7	179.5	173.5	-170.6	-1.3	116.2
254	R	31.4	Very low	32.8	Very low	164 Å²	164	147.9 Å²	147.9	62%	0.619	78%	0.779	S	S	*	*			cis	-123.9	163.6	-6.9	-103	-175.2	175.1	-103.8	8.1	107.8	E256	R254-E256 IonicContact NH1-OE1 3.46Å; R254-E256 PolarHBondContact NH1-OE1 2.96Å
255	R	34.2	Very low	32.9	Very low	173 Å²	173	150.8 Å²	150.8	65%	0.653	78%	0.775	S	S	*	*				52.5	141.6	71.8	-103.8	-176.2	167.8	-119.5	12.7	113.6
256	E	32.3	Very low	32.9	Very low	127 Å²	127	153.3 Å²	153.3	59%	0.593	77%	0.77	S	S	*	*			cis	-92.6	-110.3	4	-54.2	-58	148.2	0	0	112.8	R254	R254-E256 IonicContact NH1-OE1 3.46Å; R254-E256 PolarHBondContact NH1-OE1 2.96Å
257	G	29.1	Very low	32.8	Very low	73 Å²	73	156 Å²	156	75%	0.753	78%	0.777	S	S	*	*			cis	173.9	166.5	-5.1	0	0	0	0	0	112.5
258	G	31.3	Very low	33	Very low	91 Å²	91	154.6 Å²	154.6	94%	0.938	77%	0.773	S	S	*	*			trans	72	114.6	155	0	0	0	0	0	122.8
259	G	32.3	Very low	33	Very low	77 Å²	77	153.7 Å²	153.7	79%	0.794	78%	0.775	S	S	*	*			trans	152.3	90.3	157	0	0	0	0	0	118.3
260	R	33.4	Very low	33.6	Very low	220 Å²	220	150.4 Å²	150.4	83%	0.83	77%	0.771	S	S	*	*			trans	-164.2	128.4	158.5	-92.9	-153.8	165.8	-167.7	-9.9	113.6
261	S	30.3	Very low	33.6	Very low	103 Å²	103	147 Å²	147	72%	0.72	77%	0.767	S	S	*	*			trans	-130.4	139.4	138.4	-117.2	0	0	0	0	105.7
262	K	33.1	Very low	33.8	Very low	190 Å²	190	143.1 Å²	143.1	83%	0.826	76%	0.764	S	S	*	*				55.2	129	76.6	-59	-176.3	177.9	-174.7	0	112.1
263	H	30.1	Very low	33.8	Very low	167 Å²	167	141 Å²	141	77%	0.773	76%	0.761	S	S	*	*			cis	-157.2	168.8	-10.6	-140.2	-138.7	0	0	0	109.8
264	V	29.3	Very low	33.8	Very low	106 Å²	106	137.6 Å²	137.6	64%	0.642	76%	0.763	S	S	*	*			trans	23.6	140.5	132.8	163.7	0	0	0	0	119.3
265	H	32.1	Very low	34	Very low	161 Å²	161	137.7 Å²	137.7	75%	0.745	77%	0.771	S	S	*	*			cis	-144.5	-168.2	17	-146	26.5	0	0	0	116.2
266	L	32.6	Very low	34.1	Very low	130 Å²	130	135.5 Å²	135.5	68%	0.681	78%	0.779	S	S	*	*			trans	-69.5	154.2	-178.2	-57.7	164.4	0	0	0	114.1
267	H	34.2	Very low	34	Very low	198 Å²	198	139.5 Å²	139.5	92%	0.917	79%	0.794	S	S	*	*				-144.8	151.7	123.6	-115.2	-92.3	0	0	0	108.7
268	A	37.1	Very low	34.2	Very low	85 Å²	85	141.6 Å²	141.6	70%	0.702	80%	0.798	S	S	*	*			trans	-114.7	150.1	-170.7	0	0	0	0	0	112.6
269	P	40.1	Very low	34.3	Very low	109 Å²	109	143 Å²	143	71%	0.708	79%	0.793	S	S	*	*			trans	-85.3	156.2	176.1	35.4	-35.1	0	0	0	112.5
270	P	47.3	Very low	34.3	Very low	132 Å²	132	143.4 Å²	143.4	86%	0.857	80%	0.797	S	S	*	*			trans	-72.4	156.1	173.7	31.2	-35.3	0	0	0	112.4
271	V	38.7	Very low	34.3	Very low	128 Å²	128	137.1 Å²	137.1	78%	0.776	79%	0.792	S	S	*	*			trans	-120.4	130.9	178.5	173.4	0	0	0	0	109.3
272	L	34.9	Very low	34.3	Very low	168 Å²	168	136.5 Å²	136.5	88%	0.88	79%	0.787	S	S	*	*			trans	-77.5	133.6	169.7	-69.7	171.4	0	0	0	110.2
273	L	33.5	Very low	34.2	Very low	148 Å²	148	137.2 Å²	137.2	78%	0.775	79%	0.791	S	S	*	*			trans	-71.8	146.6	170.1	-94.1	74.3	0	0	0	111
274	V	32.6	Very low	34.1	Very low	140 Å²	140	132.7 Å²	132.7	85%	0.848	79%	0.79	S	S	*	*			trans	-127.2	119.7	157.8	176.6	0	0	0	0	107
275	Q	35.5	Very low	34.1	Very low	166 Å²	166	132.5 Å²	132.5	78%	0.776	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-97.2	137.7	167.9	-73.2	-172.8	-5.3	0	0	109.8
276	P	36.5	Very low	33.9	Very low	127 Å²	127	134.3 Å²	134.3	83%	0.825	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-79.4	136	160.3	33	-30.5	0	0	0	109.6
277	K	30.1	Very low	33.7	Very low	211 Å²	211	137 Å²	137	92%	0.917	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-98.6	132.1	172.2	-165.3	168.3	-176.6	176.5	0	109.7
278	S	32.4	Very low	33.8	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89.8	164.7	-178.7	48.3	0	0	0	0	112.8
279	S	34.6	Very low	33.4	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	81%	0.814	S	S	*	*			trans	-138.3	140.3	173.4	52.7	0	0	0	0	110.8
280	G	30.9	Very low	33.5	Very low	84 Å²	84	136.7 Å²	136.7	87%	0.866	81%	0.811	S	S	*	*			trans	87.1	117.6	166.8	0	0	0	0	0	117.1
281	A	33.3	Very low	32.7	Very low	89 Å²	89	137 Å²	137	74%	0.736	81%	0.805	S	S	*	*			trans	-97.2	139.6	153.3	0	0	0	0	0	107.3
282	S	31.3	Very low	32.3	Very low	89 Å²	89	140.2 Å²	140.2	62%	0.622	81%	0.809	S	S	*	*				54	144.8	93	93	0	0	0	0	115.1
283	F	30.1	Very low	32.1	Very low	205 Å²	205	141.8 Å²	141.8	90%	0.899	81%	0.805	S	S	*	*			cis	-148.3	165.3	16.7	-95.1	-67.4	0	0	0	113.2
284	G	29.7	Very low	32.1	Very low	73 Å²	73	141.5 Å²	141.5	75%	0.753	80%	0.803	S	S	*	*			trans	96.1	157.4	151.8	0	0	0	0	0	116.7
285	A	28.3	Very low	32	Very low	101 Å²	101	139.4 Å²	139.4	84%	0.835	79%	0.787	S	S	*	*			cis	-156	166.7	-16.2	0	0	0	0	0	110
286	F	28.5	Very low	32.2	Very low	200 Å²	200	137.4 Å²	137.4	88%	0.877	79%	0.789	S	S	*	*			trans	-69.2	149.7	-177	-54.5	-93.6	0	0	0	113.5
287	H	28.9	Very low	31.9	Very low	187 Å²	187	141.4 Å²	141.4	87%	0.866	79%	0.788	S	S	*	*			trans	-158.4	178	132	-120.2	-88.2	0	0	0	111.8
288	L	34.4	Very low	31.9	Very low	153 Å²	153	139 Å²	139	80%	0.801	78%	0.779	S	S	*	*			trans	-105.3	163.8	-160.4	-65.4	149.3	0	0	0	114.3
289	T	29	Very low	32.3	Very low	131 Å²	131	139.4 Å²	139.4	80%	0.804	78%	0.779	S	S	*	*			trans	-61.7	170.7	157.6	25.5	0	0	0	0	112.4
290	P	43.3	Very low	32	Very low	100 Å²	100	136.7 Å²	136.7	65%	0.649	77%	0.77	S	S	*	*			cis	-137.8	-177.4	18.5	45.2	-27.9	0	0	0	117.6
291	D	29.4	Very low	31.9	Very low	138 Å²	138	142.4 Å²	142.4	74%	0.738	77%	0.771	S	S	*	*			trans	52.5	125.1	151.8	-55.8	-29.6	0	0	0	122.9
292	F	31	Very low	31.7	Very low	197 Å²	197	141.9 Å²	141.9	86%	0.864	77%	0.767	S	S	*	*				-175.3	118.2	114.1	-104.6	-70.1	0	0	0	114.4
293	Y	30.9	Very low	31.6	Very low	201 Å²	201	145.6 Å²	145.6	79%	0.788	78%	0.775	S	S	*	*			trans	62.3	136.5	142.5	-100.2	-132	0	0	0	125.8
294	L	32.4	Very low	31.5	Very low	142 Å²	142	142.2 Å²	142.2	74%	0.743	77%	0.766	S	S	*	*			trans	80.5	93.7	149.9	-64.5	171.4	0	0	0	123.7
295	D	30.5	Very low	31.7	Very low	95 Å²	95	148.9 Å²	148.9	51%	0.508	77%	0.77	S	S	.	*				25.7	112.2	116.1	-178.5	40.9	0	0	0	120.6	R297	D295-R297 WeakPolarHBondContact OD2-CG 3.5Å; D295-R297 IonicContact OD2-CZ 3.98Å; D295-R297 IonicContact OD2-NH1 3.9Å; D295-R297 PolarHBondContact OD2-NH1 3.25Å
296	P	40.7	Very low	31.8	Very low	125 Å²	125	148.3 Å²	148.3	81%	0.812	76%	0.76	S	S	*	*			trans	-102.5	118.2	149.5	33.8	-24.6	0	0	0	111.8
297	R	30	Very low	32.2	Very low	211 Å²	211	143 Å²	143	80%	0.796	75%	0.747	S	S	*	*			trans	-71	138.5	-176.2	-75.9	179.3	163.1	77.6	-15.3	115	D295	D295-R297 WeakPolarHBondContact OD2-CG 3.5Å; D295-R297 IonicContact OD2-CZ 3.98Å; D295-R297 IonicContact OD2-NH1 3.9Å; D295-R297 PolarHBondContact OD2-NH1 3.25Å
298	Q	30.7	Very low	32.3	Very low	160 Å²	160	140.4 Å²	140.4	75%	0.748	74%	0.74	S	S	*	*			trans	-44.1	152.2	152.1	-80.1	-88.2	-20.4	0	0	112.8
299	P	41.3	Very low	32.4	Very low	126 Å²	126	139.2 Å²	139.2	82%	0.818	74%	0.739	S	S	*	*				-154.3	177.6	67.6	42.2	-22.1	0	0	0	118.9
300	G	28	Very low	32.6	Very low	63 Å²	63	141.5 Å²	141.5	65%	0.649	74%	0.741	S	S	*	*			trans	96.1	115.2	168.1	0	0	0	0	0	113.6
301	F	27.3	Very low	32.2	Very low	204 Å²	204	142.1 Å²	142.1	90%	0.895	75%	0.748	S	S	*	*			cis	76.1	126.1	13.2	-94.2	-72.8	0	0	0	118.9
302	A	30.6	Very low	32.1	Very low	78 Å²	78	141 Å²	141	65%	0.645	75%	0.749	S	S	*	*			trans	70	100.4	157.2	0	0	0	0	0	121.2
303	E	28.4	Very low	32.2	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	74%	0.743	S	S	*	*				23.9	125.2	120.8	-58.4	162.4	114.4	0	0	120.2
304	N	28.3	Very low	32.2	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	74%	0.741	S	S	*	*				170.1	146.6	107.9	-93.5	-55.2	0	0	0	115.5
305	Y	32.8	Very low	32.2	Very low	213 Å²	213	136.6 Å²	136.6	84%	0.835	75%	0.747	S	S	*	*			trans	63.3	157.9	147.8	-80.6	-126.7	0	0	0	118.9
306	S	31.6	Very low	32.5	Very low	89 Å²	89	137.2 Å²	137.2	62%	0.622	76%	0.759	S	S	*	*			cis	-163.3	163.5	-28.2	-159.7	0	0	0	0	110.8
307	S	35.7	Very low	32	Very low	87 Å²	87	138.4 Å²	138.4	61%	0.608	76%	0.758	S	S	*	*			trans	49.6	118.2	141.5	-75.5	0	0	0	0	124.2
308	D	31.5	Very low	32.9	Very low	134 Å²	134	132.8 Å²	132.8	72%	0.717	75%	0.749	S	S	*	*				69.9	147.3	120.1	-59.1	-65.1	0	0	0	123.1
309	T	37.7	Very low	33	Very low	127 Å²	127	133.9 Å²	133.9	78%	0.779	75%	0.754	S	S	*	*			trans	66	147.8	163.7	35.7	0	0	0	0	117.8
310	E	32.3	Very low	32.7	Very low	180 Å²	180	133.8 Å²	133.8	84%	0.841	76%	0.755	S	S	*	*			cis	-154.5	-150	-1.8	46.6	-171.9	72.6	0	0	112.6
311	S	34.6	Very low	33.2	Very low	113 Å²	113	140.1 Å²	140.1	79%	0.79	77%	0.768	S	S	*	*			trans	-85	-179.8	-169.1	-58.9	0	0	0	0	113.5
312	C	28.1	Very low	33.3	Very low	115 Å²	115	137.1 Å²	137.1	78%	0.777	76%	0.761	S	S	*	*			cis	-170.2	164.4	24.7	-160	0	0	0	0	113.9
313	S	32.6	Very low	33.9	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	76%	0.761	S	S	*	*			trans	71.6	167	152.9	89.5	0	0	0	0	118.1
314	T	30.8	Very low	34.6	Very low	123 Å²	123	136.7 Å²	136.7	76%	0.755	76%	0.761	S	S	*	*			cis	-141.8	149.3	1.2	-66.6	0	0	0	0	111.9
315	Y	32.5	Very low	34.8	Very low	219 Å²	219	139.2 Å²	139.2	86%	0.859	77%	0.766	S	S	*	*			trans	-24	135	159.2	-143.5	-114.7	0	0	0	119.1
316	S	36.3	Very low	34.8	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	75%	0.749	S	S	*	*				157.5	145.1	122.6	-66	0	0	0	0	115.6
317	D	31.2	Very low	35	Very low	151 Å²	151	132.8 Å²	132.8	81%	0.807	76%	0.759	S	S	*	*			trans	-83.6	-175.5	161.8	-148.4	32.4	0	0	0	108.8
318	P	49.3	Very low	34.8	Very low	93 Å²	93	131.1 Å²	131.1	60%	0.604	76%	0.756	S	S	*	*			cis	-148.6	-178.9	13.2	43.8	-21.8	0	0	0	120.2
319	Q	31.9	Very low	34.8	Very low	182 Å²	182	134.2 Å²	134.2	85%	0.85	76%	0.763	S	S	*	*			trans	88	158.3	139.6	-98.2	173.3	-20.8	0	0	122.9
320	C	35.8	Very low	34.5	Very low	124 Å²	124	133.4 Å²	133.4	84%	0.838	76%	0.763	S	S	*	*			trans	-113.5	157.2	-163.5	-43.3	0	0	0	0	112.9
321	Q	38.5	Very low	34.4	Very low	196 Å²	196	130 Å²	130	92%	0.916	76%	0.759	S	S	*	*			trans	-157.1	161.5	159.9	-91.5	176.8	-8.2	0	0	109.5
322	D	28.6	Very low	34.2	Very low	141 Å²	141	130.3 Å²	130.3	75%	0.754	76%	0.756	S	S	*	*				-164	174.1	-50.5	-158.1	1.6	0	0	0	109.1
323	S	42.8	Very low	34.3	Very low	92 Å²	92	129.1 Å²	129.1	64%	0.643	75%	0.749	S	S	*	*			trans	71.5	122.4	164.6	-54.2	0	0	0	0	117.6
324	D	43.7	Very low	34.4	Very low	145 Å²	145	128 Å²	128	78%	0.775	74%	0.741	S	S	*	*				81.3	146.7	62.6	-74.3	-39.8	0	0	0	113.6
325	F	31.8	Very low	34.5	Very low	188 Å²	188	126.5 Å²	126.5	83%	0.825	74%	0.736	S	S	*	*			cis	-158.4	171	2.9	-154.6	-107.9	0	0	0	108.5
326	G	33.7	Very low	34.6	Very low	47 Å²	47	118.3 Å²	118.3	49%	0.485	71%	0.71	S	S	.	*			cis	155	119.5	-14.4	0	0	0	0	0	114.3
327	S	35.8	Very low	34.5	Very low	119 Å²	119	115.9 Å²	115.9	83%	0.832	69%	0.693	S	S	*	*			trans	70.4	155.8	175.4	-50.3	0	0	0	0	118.5
328	G	32.5	Very low	34.7	Very low	52 Å²	52	116.3 Å²	116.3	54%	0.536	69%	0.69	S	S	.	*			cis	170.3	179.4	-6.1	0	0	0	0	0	114.7
329	F	30.1	Very low	33.8	Very low	200 Å²	200	119.9 Å²	119.9	88%	0.877	70%	0.699	S	S	*	*			trans	65.8	170.7	161	29.8	-90.4	0	0	0	122.6
330	S	31.6	Very low	33.8	Very low	110 Å²	110	119.2 Å²	119.2	77%	0.769	70%	0.696	S	S	*	*			trans	-153.4	163.4	-150.1	-36.8	0	0	0	0	116.3
331	S	31.2	Very low	33.8	Very low	108 Å²	108	122 Å²	122	76%	0.755	70%	0.697	S	S	*	*			trans	139.2	160.1	131.8	-56.8	0	0	0	0	119.8
332	T	29.3	Very low	33.7	Very low	120 Å²	120	121.4 Å²	121.4	74%	0.736	69%	0.694	S	S	*	*			trans	85.9	108.1	152.9	50.2	0	0	0	0	125.8
333	S	31.4	Very low	34.2	Very low	90 Å²	90	123.6 Å²	123.6	63%	0.629	70%	0.7	S	S	*	*				37.2	156.7	123	47	0	0	0	0	124.5
334	S	33.1	Very low	33.8	Very low	80 Å²	80	126.3 Å²	126.3	56%	0.559	71%	0.707	S	S	*	*			cis	178.9	158.3	-4.6	47.1	0	0	0	0	112.6	A562	S334-A562 WeakPolarHBondContact CB-O 3.25Å
335	S	32.6	Very low	33.5	Very low	92 Å²	92	125.8 Å²	125.8	64%	0.643	70%	0.704	S	S	*	*			trans	166	112.9	147.7	168	0	0	0	0	117.7
336	S	35.1	Very low	33.6	Very low	47 Å²	47	121.7 Å²	121.7	33%	0.329	70%	0.695	S	S	.	*			trans	37.6	158.3	134.6	-137.6	0	0	0	0	125.5	V564 K565	S336-V564 VanDerWaalsContact OG-C 3.23Å; S336-K565 VanDerWaalsContact CB-CB 3.47Å; S336-K565 WeakPolarHBondContact OG-CB 3.25Å; S336-K565 PolarHBondContact OG-N 2.76Å
337	S	34.3	Very low	33.5	Very low	56 Å²	56	127.9 Å²	127.9	39%	0.392	71%	0.711	S	S	.	*			cis	-159.2	169.4	20.2	-58.8	0	0	0	0	116.9
338	E	35	Very low	33.9	Very low	160 Å²	160	128 Å²	128	75%	0.748	71%	0.712	S	S	*	*			trans	58	151.1	147.5	58.5	-131.5	131.3	0	0	120.5
339	E	30.1	Very low	33.8	Very low	169 Å²	169	134.6 Å²	134.6	79%	0.79	73%	0.728	S	S	*	*			cis	-150.7	146.6	14.6	2.9	-168.6	137.6	0	0	113.5
340	E	33.2	Very low	34	Very low	167 Å²	167	130.6 Å²	130.6	78%	0.78	73%	0.725	S	S	*	*			trans	64.5	148.2	167.2	-53.8	-174.7	142.7	0	0	119.4
341	E	35.3	Very low	34.1	Very low	184 Å²	184	130.5 Å²	130.5	86%	0.86	73%	0.725	S	S	*	*			cis	80.8	151.5	12.8	-62.5	132.5	-54	0	0	115.3
342	E	37.5	Very low	34.3	Very low	183 Å²	183	133.7 Å²	133.7	86%	0.855	73%	0.728	S	S	*	*			cis	-71.9	-172	6.8	-57.5	167.9	118.8	0	0	116.1
343	E	38.8	Very low	34.4	Very low	187 Å²	187	134.4 Å²	134.4	87%	0.874	73%	0.732	S	S	*	*			cis	78.2	153.3	14.7	-49.7	-162.1	136	0	0	117
344	D	34.6	Very low	34.3	Very low	148 Å²	148	135.5 Å²	135.5	79%	0.791	74%	0.74	S	S	*	*			cis	-137.8	172	7.4	-174.6	30	0	0	0	113.9
345	D	36.2	Very low	34.5	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	74%	0.741	S	S	*	*			trans	-71.1	-167.2	175.6	-102	-77	0	0	0	113.9
346	T	34.7	Very low	34.4	Very low	102 Å²	102	138.8 Å²	138.8	63%	0.626	75%	0.75	S	S	*	*			cis	-154.8	-178	6	-10.8	0	0	0	0	112.2
347	Q	32.1	Very low	34.5	Very low	177 Å²	177	143.9 Å²	143.9	83%	0.827	77%	0.769	S	S	*	*			trans	86	163	141.2	-86	169.3	28.1	0	0	120.7
348	S	42.7	Very low	34.9	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	79%	0.794	S	S	*	*			trans	-151	139.4	-167.8	-54.2	0	0	0	0	109.6
349	E	31	Very low	35.1	Very low	190 Å²	190	150.4 Å²	150.4	89%	0.888	80%	0.799	S	S	*	*			trans	-151.1	175.9	158	58.4	-171.8	132.8	0	0	111.8
350	S	33.7	Very low	35.2	Very low	116 Å²	116	151 Å²	151	81%	0.811	80%	0.802	S	S	*	*			trans	-135.5	140.5	-173.8	-58.2	0	0	0	0	109.6
351	S	35.1	Very low	35.6	Very low	109 Å²	109	147.6 Å²	147.6	76%	0.762	80%	0.796	S	S	*	*			trans	-166.3	144.3	155.4	23.5	0	0	0	0	113.3
352	E	34.2	Very low	35.9	Very low	174 Å²	174	143.8 Å²	143.8	81%	0.813	79%	0.79	S	S	*	*			trans	-58.8	157.8	157.6	56	-113.5	69.8	0	0	114.3
353	V	31.5	Very low	36	Very low	136 Å²	136	140.9 Å²	140.9	82%	0.824	78%	0.784	S	S	*	*				171.7	137.4	118.8	64.9	0	0	0	0	114.7
354	S	30.2	Very low	35.7	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	79%	0.787	S	S	*	*			trans	56.8	157.3	153.8	-156	0	0	0	0	123.6
355	S	36.3	Very low	35.7	Very low	84 Å²	84	139 Å²	139	59%	0.587	78%	0.782	S	S	*	*			trans	-66.3	167.7	170.3	-39.7	0	0	0	0	113.9
356	D	31.3	Very low	35.7	Very low	157 Å²	157	139.3 Å²	139.3	84%	0.84	78%	0.784	S	S	*	*				-146.1	170.8	108.8	-131.9	-63.9	0	0	0	110.2
357	E	37.1	Very low	35.8	Very low	153 Å²	153	139.2 Å²	139.2	72%	0.715	79%	0.787	S	S	*	*			trans	-131.3	148.7	-168.4	52.9	-144	74	0	0	112.5
358	D	41.9	Very low	36.1	Very low	174 Å²	174	136.3 Å²	136.3	93%	0.93	79%	0.786	S	S	*	*			trans	-154.1	144.5	170.9	-123	-28.6	0	0	0	112.7
359	E	40	Very low	35.9	Very low	179 Å²	179	135.7 Å²	135.7	84%	0.836	78%	0.782	S	S	*	*			trans	-106.3	150	-175.9	-71.3	-107.2	127.6	0	0	111.1
360	E	32.5	Very low	36.1	Very low	183 Å²	183	132.9 Å²	132.9	86%	0.855	78%	0.778	S	S	*	*				-174.7	171.6	107.9	65.9	155	94	0	0	112.4
361	S	41.4	Very low	36.2	Very low	94 Å²	94	132.7 Å²	132.7	66%	0.657	78%	0.776	S	S	*	*			trans	-155	138.3	-167.6	-177.5	0	0	0	0	112.2
362	S	41.1	Very low	36.1	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	78%	0.781	S	S	*	*			trans	-157.3	103	164.5	-81.6	0	0	0	0	109.1
363	T	38.8	Very low	36.6	Very low	121 Å²	121	136.6 Å²	136.6	74%	0.742	79%	0.786	S	S	*	*				62.9	111.7	70.5	71.7	0	0	0	0	115.4
364	Q	33.8	Very low	36.8	Very low	197 Å²	197	137.1 Å²	137.1	92%	0.921	79%	0.789	S	S	*	*				-151.8	142.4	127.5	-145.2	169.5	-1.6	0	0	111.4
365	S	34.3	Very low	37.4	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	78%	0.784	S	S	*	*			trans	-95.5	164.4	178.4	-56.9	0	0	0	0	111
366	D	36.1	Very low	37.5	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	80%	0.799	S	S	*	*				-172.6	141.7	109.8	-109.4	-42.8	0	0	0	116.1
367	S	36.4	Very low	38.1	Very low	100 Å²	100	139.5 Å²	139.5	70%	0.699	79%	0.794	S	S	*	*				26.7	141.3	126.6	-55.9	0	0	0	0	120.9
368	S	39.2	Very low	38.4	Very low	115 Å²	115	137 Å²	137	80%	0.804	79%	0.793	S	S	*	*			cis	-166.4	-179.4	3.7	51.4	0	0	0	0	113.1
369	S	37.6	Very low	38.3	Very low	108 Å²	108	135.7 Å²	135.7	76%	0.755	79%	0.785	S	S	*	*			trans	-71.1	167.9	178.8	-57.6	0	0	0	0	113.4
370	V	35.9	Very low	39	Very low	132 Å²	132	136.6 Å²	136.6	80%	0.8	78%	0.781	S	S	*	*				-169.1	149.1	64	161.7	0	0	0	0	112.8
371	S	34.8	Very low	39.4	Very low	112 Å²	112	137 Å²	137	78%	0.783	78%	0.78	S	S	*	*			trans	15.9	132.8	158.5	-59.8	0	0	0	0	123.5
372	S	33.3	Very low	39.3	Very low	123 Å²	123	144.2 Å²	144.2	86%	0.86	79%	0.792	S	S	*	*				-154.5	162.7	106.2	58.9	0	0	0	0	111.9
373	R	44.2	Very low	39.5	Very low	241 Å²	241	151 Å²	151	91%	0.909	80%	0.802	S	S	*	*			trans	-124.9	138	-177.1	-57.9	176.7	179.5	-175.4	0.2	110.7
374	V	36.4	Very low	39.5	Very low	148 Å²	148	149.6 Å²	149.6	90%	0.897	80%	0.803	S	S	*	*			trans	-160	151.8	138.8	167.8	0	0	0	0	107.7
375	S	42.7	Very low	39.9	Very low	97 Å²	97	152.1 Å²	152.1	68%	0.678	80%	0.804	S	S	*	*			trans	-117.7	146.5	179.7	68.4	0	0	0	0	114
376	V	39.6	Very low	40.1	Very low	149 Å²	149	153.8 Å²	153.8	90%	0.903	81%	0.809	S	S	*	*			trans	-137.2	149.9	151.2	-164.6	0	0	0	0	109.3
377	Q	43.2	Very low	40.1	Very low	158 Å²	158	149.7 Å²	149.7	74%	0.738	80%	0.8	S	S	*	*			trans	-101.3	144.2	-167.8	-61.3	179.2	2.4	0	0	114.4
378	S	42.9	Very low	40.1	Very low	100 Å²	100	153.2 Å²	153.2	70%	0.699	81%	0.81	S	S	*	*			trans	53.4	117.3	143.7	65.3	0	0	0	0	121.5
379	I	40.7	Very low	40.1	Very low	147 Å²	147	156 Å²	156	75%	0.754	81%	0.81	S	S	*	*				-135.9	140.8	118.9	-73.4	101.8	0	0	0	107.7	F381	I379-F381 HydrophobicContact CG2-CD2 3.63Å; I379-F381 HydrophobicContact CG2-CE2 3.7Å
380	R	53.3	Low	40.1	Very low	198 Å²	198	158.1 Å²	158.1	75%	0.747	82%	0.819	S	S	*	*			trans	-139.2	93.5	172	-148.9	-178.7	-153.5	173.3	11	110.6
381	F	41.1	Very low	40.2	Very low	192 Å²	192	155 Å²	155	84%	0.842	81%	0.814	S	S	*	*			trans	-61.3	140.2	178.4	-86.3	-89.7	0	0	0	112	I379	I379-F381 HydrophobicContact CG2-CD2 3.63Å; I379-F381 HydrophobicContact CG2-CE2 3.7Å
382	R	40.8	Very low	40.5	Very low	244 Å²	244	159.5 Å²	159.5	92%	0.921	82%	0.819	S	S	*	*			trans	-109.3	109.5	165.4	-75.6	-171.9	-92.8	-157.5	-5.2	108.7
383	R	45.6	Very low	40.4	Very low	248 Å²	248	158.1 Å²	158.1	94%	0.936	82%	0.815	S	S	*	*			trans	-83.3	118.1	163.3	-89.4	-176.2	168.8	171.9	-4	108.8
384	A	37.5	Very low	40.2	Very low	91 Å²	91	152.3 Å²	152.3	75%	0.752	81%	0.809	S	S	*	*			trans	-72.9	147	160.8	0	0	0	0	0	109.2
385	R	42	Very low	40.3	Very low	251 Å²	251	153 Å²	153	95%	0.947	81%	0.806	S	S	*	*			trans	-98.2	114.1	165.2	-70.6	-173.2	179.3	-171.4	-0.5	107.9
386	V	38.5	Very low	39.9	Very low	134 Å²	134	154 Å²	154	81%	0.812	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-84.3	126.7	160.7	179.9	0	0	0	0	106.5
387	G	37.2	Very low	39.6	Very low	55 Å²	55	153.6 Å²	153.6	57%	0.567	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-81	118.8	172.6	0	0	0	0	0	109.6
388	L	36.3	Very low	39.2	Very low	174 Å²	174	154.2 Å²	154.2	91%	0.911	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77.7	129.6	166.3	-91	152.5	0	0	0	108.9
389	H	38.3	Very low	39	Very low	173 Å²	173	154 Å²	154	80%	0.801	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-89.5	132	178.5	-55.2	-94.4	0	0	0	109.1	G391	H389-G391 PolarHBondContact O-N 2.99Å
390	T	37.9	Very low	38.5	Very low	154 Å²	154	152 Å²	152	95%	0.945	79%	0.794	S	S	*	*			trans	-77.6	61.7	174.5	40	0	0	0	0	111.7
391	G	38.1	Very low	37.3	Very low	66 Å²	66	151.9 Å²	151.9	68%	0.68	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80	131.4	171.7	0	0	0	0	0	111.4	H389	H389-G391 PolarHBondContact O-N 2.99Å
392	K	41.9	Very low	36.7	Very low	207 Å²	207	151.4 Å²	151.4	90%	0.9	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.8	134.6	170.5	-60.9	179.1	179.2	-179.1	0	109.2
393	A	31.4	Very low	36	Very low	93 Å²	93	150.3 Å²	150.3	77%	0.769	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-86	135.9	177.7	0	0	0	0	0	111.5
394	P	39.2	Very low	35.5	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-90.4	145.3	169.6	34.9	-31.8	0	0	0	111.5
395	L	38.2	Very low	35	Very low	162 Å²	162	146.7 Å²	146.7	85%	0.848	78%	0.783	S	S	*	*			trans	-115.1	112.1	174.7	-69.5	176.9	0	0	0	112.1
396	V	33.5	Very low	34.6	Very low	119 Å²	119	141.5 Å²	141.5	72%	0.721	77%	0.77	S	S	*	*			trans	48.1	111.2	137.9	-169.4	0	0	0	0	120.6
397	L	33.2	Very low	34.3	Very low	139 Å²	139	143.5 Å²	143.5	73%	0.728	77%	0.77	S	S	*	*			trans	26.7	116.8	136.1	-75.3	98	0	0	0	120.1
398	Q	35.4	Very low	33.9	Very low	172 Å²	172	148 Å²	148	80%	0.804	78%	0.776	S	S	*	*				86.5	166	84.2	-85.4	-160.3	13.5	0	0	114.4
399	P	39.5	Very low	33.5	Very low	95 Å²	95	150 Å²	150	62%	0.617	77%	0.772	S	S	*	*			cis	-138.3	176.4	13.5	41	-22.2	0	0	0	118.7
400	T	30	Very low	33.1	Very low	106 Å²	106	147.9 Å²	147.9	65%	0.65	77%	0.771	S	S	*	*			trans	64.4	156.7	154.1	41	0	0	0	0	119.6
401	F	27.2	Very low	32.6	Very low	194 Å²	194	148.4 Å²	148.4	85%	0.851	77%	0.767	S	S	*	*			cis	-124.8	166.1	3.9	-88.5	-78.2	0	0	0	112.7
402	H	28.4	Very low	32	Very low	182 Å²	182	149.9 Å²	149.9	84%	0.843	77%	0.767	S	S	*	*			trans	-128.9	131.3	170.6	-144.3	-58.1	0	0	0	108.4
403	Y	27.1	Very low	31.3	Very low	221 Å²	221	149.3 Å²	149.3	87%	0.867	77%	0.767	S	S	*	*			trans	-94.7	157.4	162.4	-121.9	-88.7	0	0	0	110.2
404	N	34	Very low	31.1	Very low	118 Å²	118	148.3 Å²	148.3	63%	0.631	77%	0.766	S	S	*	*			trans	-134	142.3	-177.6	168.7	32.5	0	0	0	108
405	N	28.6	Very low	30.5	Very low	146 Å²	146	150.7 Å²	150.7	78%	0.781	77%	0.772	S	S	*	*			trans	-148.2	134.3	149.5	-128.7	-27.9	0	0	0	111.8
406	Q	33.5	Very low	30.2	Very low	142 Å²	142	146.8 Å²	146.8	66%	0.664	76%	0.759	S	S	*	*			trans	-98.7	143.7	172.4	-65	175	-19.2	0	0	108.9
407	Q	31	Very low	30.2	Very low	175 Å²	175	152.4 Å²	152.4	82%	0.818	77%	0.767	S	S	*	*			trans	169.7	159.9	145.5	-94.8	152.7	89.3	0	0	109.4
408	H	29	Very low	30.2	Very low	151 Å²	151	154.6 Å²	154.6	70%	0.699	77%	0.774	S	S	*	*			cis	-170	143.4	-41.4	-131.7	-101.2	0	0	0	106.1
409	R	28.1	Very low	30	Very low	216 Å²	216	152.5 Å²	152.5	82%	0.815	77%	0.768	S	S	*	*			trans	49.4	131.8	160.5	-83.6	-173.5	172.6	-178.8	-2.5	121.9
410	T	29.6	Very low	29.6	Very low	128 Å²	128	156.7 Å²	156.7	79%	0.785	78%	0.776	S	S	*	*			trans	-53.5	140.8	144.8	51.6	0	0	0	0	114
411	L	28.7	Very low	29.7	Very low	164 Å²	164	158.9 Å²	158.9	86%	0.859	78%	0.779	S	S	*	*				-169.2	166.1	129.6	-107.8	158.9	0	0	0	111.7
412	S	25.3	Very low	29.9	Very low	98 Å²	98	157 Å²	157	69%	0.685	77%	0.773	S	S	*	*			trans	-122.5	176.7	-175	57.8	0	0	0	0	112
413	H	26.3	Very low	30.1	Very low	194 Å²	194	157.3 Å²	157.3	90%	0.898	77%	0.772	S	S	*	*			trans	72.6	137	-163	-73.2	28.8	0	0	0	114.1
414	G	27.1	Very low	30.4	Very low	73 Å²	73	151.2 Å²	151.2	75%	0.753	76%	0.76	S	S	*	*			cis	155	149.3	-8.2	0	0	0	0	0	112.3
415	D	26.4	Very low	30.1	Very low	169 Å²	169	155.7 Å²	155.7	90%	0.904	77%	0.77	S	S	*	*			trans	-151.2	177.8	172.4	-141.2	-33.2	0	0	0	112.9
416	S	32.5	Very low	30.2	Very low	81 Å²	81	158.1 Å²	158.1	57%	0.566	77%	0.774	S	S	*	*			trans	-139.8	128.6	-139.6	145.3	0	0	0	0	117.7
417	R	33.7	Very low	29.8	Very low	236 Å²	236	155.2 Å²	155.2	89%	0.891	78%	0.782	S	S	*	*			trans	78	162.7	145.2	-67.8	173.5	178.5	-165.4	-0.6	121.3
418	Q	32	Very low	29.7	Very low	185 Å²	185	155.6 Å²	155.6	86%	0.864	78%	0.784	S	S	*	*			trans	90.2	135.7	172.2	-64.2	-167	9.8	0	0	116.6
419	D	31.7	Very low	30.9	Very low	129 Å²	129	152.3 Å²	152.3	69%	0.69	78%	0.776	S	S	*	*			cis	-163.3	-173.4	-17.1	-155.2	-95.3	0	0	0	110.9
420	K	32.3	Very low	31.1	Very low	182 Å²	182	152.3 Å²	152.3	79%	0.791	78%	0.776	S	S	*	*			trans	78.4	118.8	166.7	-64.4	167.8	-173.9	174.3	0	117.1
421	H	32	Very low	31.2	Very low	152 Å²	152	154.2 Å²	154.2	70%	0.704	77%	0.773	S	S	*	*				77.4	136.8	76.9	-99.9	-129.3	0	0	0	114
422	Q	31.1	Very low	31	Very low	156 Å²	156	152.3 Å²	152.3	73%	0.729	76%	0.764	S	S	*	*			cis	-158.4	170.9	-2.9	-155.8	169.4	3	0	0	112.5
423	K	32.5	Very low	31.2	Very low	187 Å²	187	153.2 Å²	153.2	81%	0.813	77%	0.77	S	S	*	*			trans	-38.7	163.5	170.1	-76.2	-179.4	173.8	-178.9	0	116.6
424	C	32.6	Very low	31.3	Very low	93 Å²	93	151.1 Å²	151.1	63%	0.628	77%	0.765	S	S	*	*			cis	-142.4	-142.5	17.1	-138.1	0	0	0	0	112.1
425	Y	28.2	Very low	31.3	Very low	213 Å²	213	156 Å²	156	84%	0.835	77%	0.768	S	S	*	*			cis	-138.1	-118.2	11.1	-134.4	-54.9	0	0	0	114.7
426	F	31	Very low	31.4	Very low	197 Å²	197	154.8 Å²	154.8	86%	0.864	76%	0.761	S	S	*	*			trans	-142.4	156.3	-164.6	-99.1	-121.5	0	0	0	112.6
427	G	26	Very low	31.7	Very low	81 Å²	81	158 Å²	158	84%	0.835	77%	0.772	S	S	*	*			trans	156	71	165	0	0	0	0	0	117.3
428	E	28.4	Very low	33.2	Very low	182 Å²	182	152.3 Å²	152.3	85%	0.85	77%	0.765	S	S	*	*			trans	-89.6	176.7	165.3	-119.6	-149.9	143.3	0	0	110.4
429	P	53.6	Low	33	Very low	82 Å²	82	150.3 Å²	150.3	53%	0.532	77%	0.766	S	S	.	*			cis	-139.1	-168	-7.1	30	-5.5	0	0	0	115.1
430	R	31.8	Very low	33	Very low	216 Å²	216	148 Å²	148	82%	0.815	77%	0.765	S	S	*	*			trans	85.6	150	158.5	-56.6	176.8	-179	165.4	0.5	116.1
431	K	32	Very low	32.8	Very low	169 Å²	169	147.3 Å²	147.3	74%	0.735	77%	0.769	S	S	*	*			cis	-149.1	135.6	18.9	-153.7	159.6	-176.6	-170.7	0	114.8
432	D	25.8	Very low	32.5	Very low	124 Å²	124	143.7 Å²	143.7	66%	0.663	77%	0.773	S	S	*	*			trans	32	140.9	142.7	-40.9	-15.4	0	0	0	120.3
433	S	27.7	Very low	32.4	Very low	116 Å²	116	141.4 Å²	141.4	81%	0.811	77%	0.774	S	S	*	*			cis	-161.2	172	-2.3	-137.2	0	0	0	0	112.6
434	L	28.4	Very low	32.3	Very low	150 Å²	150	139.6 Å²	139.6	79%	0.785	77%	0.772	S	S	*	*			trans	-95.2	175.1	169.5	-71.2	168.5	0	0	0	111.7
435	Q	27.8	Very low	32.1	Very low	175 Å²	175	144 Å²	144	82%	0.818	78%	0.781	S	S	*	*			trans	76.8	151.4	163.9	-50.1	-173.8	75.4	0	0	115.4
436	L	29.4	Very low	32	Very low	145 Å²	145	140 Å²	140	76%	0.759	78%	0.779	S	S	*	*			cis	-179.9	154.9	-25.2	-103.2	161.6	0	0	0	103.7
437	N	38.3	Very low	31.9	Very low	148 Å²	148	138.3 Å²	138.3	79%	0.791	77%	0.773	S	S	*	*			trans	-73.1	177.4	-180	-43.7	-72.4	0	0	0	112.6
438	P	65.4	Low	32.9	Very low	117 Å²	117	139.6 Å²	139.6	76%	0.76	77%	0.767	S	S	*	*			cis	-130.5	-165.8	-6.3	40.6	-22.4	0	0	0	113
439	V	26.6	Very low	32.9	Very low	143 Å²	143	134.4 Å²	134.4	87%	0.867	76%	0.756	S	S	*	*			trans	167.6	172.5	144.2	152.1	0	0	0	0	112.7
440	A	31.7	Very low	31.6	Very low	81 Å²	81	140.3 Å²	140.3	67%	0.669	77%	0.773	S	S	*	*			trans	-98	-156.5	-160.9	0	0	0	0	0	117.2
441	N	27.8	Very low	31.3	Very low	167 Å²	167	136.9 Å²	136.9	89%	0.893	77%	0.766	S	S	*	*			trans	83.2	155.3	176.8	-52.9	-21.5	0	0	0	116.1
442	G	27.4	Very low	31.2	Very low	75 Å²	75	136.5 Å²	136.5	77%	0.773	76%	0.764	S	S	*	*			cis	176.4	138.2	-7.1	0	0	0	0	0	113.8
443	S	28.6	Very low	31.2	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	76%	0.763	S	S	*	*			trans	-42.1	153.2	-176.3	-170.9	0	0	0	0	120.3
444	I	29.1	Very low	31.1	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	76%	0.763	S	S	*	*				179.6	127	117.9	-91.6	158.9	0	0	0	113.5
445	F	29.4	Very low	31	Very low	185 Å²	185	138 Å²	138	81%	0.811	76%	0.761	S	S	*	*			trans	39.6	152.6	153.7	-77.5	-103.9	0	0	0	122.5
446	T	26.8	Very low	30.8	Very low	130 Å²	130	135 Å²	135	80%	0.798	76%	0.758	S	S	*	*			cis	-135.3	153.2	22.4	50.5	0	0	0	0	115.4
447	E	28.1	Very low	31	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	76%	0.757	S	S	*	*			trans	-97.1	-174.4	162	-131.5	-131.6	122	0	0	109.1	A449	E447-A449 PolarHBondContact OE1-N 3.41Å
448	P	48.1	Very low	31.1	Very low	109 Å²	109	132.8 Å²	132.8	71%	0.708	75%	0.753	S	S	*	*			cis	-144.8	174.6	20.5	43.6	-22.9	0	0	0	121.6
449	A	27	Very low	29.2	Very low	73 Å²	73	132.9 Å²	132.9	60%	0.603	75%	0.747	S	S	*	*			trans	80.6	146.7	153.8	0	0	0	0	0	118.3	E447	E447-A449 PolarHBondContact OE1-N 3.41Å
450	K	26.9	Very low	29.3	Very low	206 Å²	206	133.2 Å²	133.2	90%	0.896	73%	0.733	S	S	*	*			cis	-150.6	176.6	8.6	-136.9	163.8	-172.2	176.3	0	113.4
451	E	26.3	Very low	29.3	Very low	144 Å²	144	133.6 Å²	133.6	67%	0.673	73%	0.727	S	S	*	*			trans	-87.2	172.5	-167.7	-52.4	177.3	87	0	0	118.3
452	K	29.6	Very low	29.2	Very low	160 Å²	160	130.2 Å²	130.2	70%	0.696	71%	0.706	S	S	*	*			trans	74.6	116.8	145.6	-78.5	151.8	-177.4	154.3	0	118.6
453	A	25.7	Very low	29.2	Very low	76 Å²	76	129.2 Å²	129.2	63%	0.628	68%	0.681	S	S	*	*				85.6	149	68.5	0	0	0	0	0	114.6
454	F	26	Very low	29.3	Very low	185 Å²	185	129.4 Å²	129.4	81%	0.811	67%	0.67	S	S	*	*			trans	69.4	134.3	-175.6	-65.6	-85.8	0	0	0	113.9
455	E	25.4	Very low	29.8	Very low	161 Å²	161	127.5 Å²	127.5	75%	0.752	67%	0.667	S	S	*	*			cis	101.1	147.9	42.7	-170.7	169.4	-163.4	0	0	111.8
456	C	24.5	Very low	30	Very low	111 Å²	111	123.5 Å²	123.5	75%	0.75	66%	0.657	S	S	*	*			trans	73.2	110.9	-178.2	-83.3	0	0	0	0	119
457	D	33.5	Very low	30.7	Very low	139 Å²	139	122.4 Å²	122.4	74%	0.743	65%	0.652	S	S	*	*			trans	-52.9	139.7	136	177.2	31.3	0	0	0	109.7	N459	D457-N459 PolarHBondContact OD1-N 3.45Å
458	P	39.5	Very low	30.6	Very low	108 Å²	108	125 Å²	125	70%	0.701	66%	0.657	S	S	*	*				-140.4	129.8	107.4	36.7	-23.3	0	0	0	114.2
459	N	26.1	Very low	29.9	Very low	120 Å²	120	125 Å²	125	64%	0.642	66%	0.659	S	S	*	*				34.5	123	99.8	-145.5	8.1	0	0	0	113.8	D457	D457-N459 PolarHBondContact OD1-N 3.45Å
460	R	28.1	Very low	30.5	Very low	150 Å²	150	127.8 Å²	127.8	57%	0.566	67%	0.672	S	S	*	*				176.4	176.4	56.3	-165.2	-174.1	157.4	-163	-5	109.6	E462 E606	R460-E462 VanDerWaalsContact CG-OE1 3.25Å; R460-E462 WeakPolarHBondContact CG-OE1 3.48Å; R460-E462 WeakPolarHBondContact CG-OE2 2.95Å; R460-E462 IonicContact CZ-OE2 2.66Å; R460-E462 IonicContact NE-OE2 2.89Å; R460-E462 PolarHBondContact NE-OE2 2.9Å; R460-E462 IonicContact NH2-OE2 2.96Å; R460-E606 IonicContact CZ-OE1 3.77Å; R460-E606 IonicContact NH2-OE1 3.29Å; R460-E606 PolarHBondContact NH2-OE1 3.27Å; R460-E606 IonicContact NH2-OE2 2.71Å; R460-E606 PolarHBondContact NH2-OE2 3.34Å
461	T	31	Very low	30.4	Very low	88 Å²	88	121.1 Å²	121.1	54%	0.54	66%	0.661	S	S	.	*			trans	84.7	118.4	149	-59	0	0	0	0	117.9
462	E	27.2	Very low	30.6	Very low	97 Å²	97	122.9 Å²	122.9	45%	0.453	67%	0.674	S	S	.	*			cis	-174.5	-151.5	-38.2	-109	99.2	-116.1	0	0	103.7	R460	R460-E462 VanDerWaalsContact CG-OE1 3.25Å; R460-E462 WeakPolarHBondContact CG-OE1 3.48Å; R460-E462 WeakPolarHBondContact CG-OE2 2.95Å; R460-E462 IonicContact CZ-OE2 2.66Å; R460-E462 IonicContact NE-OE2 2.89Å; R460-E462 PolarHBondContact NE-OE2 2.9Å; R460-E462 IonicContact NH2-OE2 2.96Å
463	E	27.3	Very low	30.5	Very low	54 Å²	54	122 Å²	122	25%	0.252	68%	0.677	S	S	.	*			cis	-142.5	-93.4	-4.9	-71.9	86.1	141.2	0	0	111	P604 Q605 E606	E463-P604 HydrophobicContact CB-CB 3.94Å; E463-P604 WeakPolarHBondContact OE2-CB 3.11Å; E463-Q605 VanDerWaalsContact OE1-CA 3.29Å; E463-Q605 WeakPolarHBondContact OE1-CA 3.16Å; E463-Q605 PolarHBondContact OE1-NE2 3.37Å; E463-E606 HydrophobicContact CG-CB 3.86Å; E463-E606 HydrophobicContact CG-CG 3.71Å; E463-E606 VanDerWaalsContact OE1-CB 3.29Å; E463-E606 WeakPolarHBondContact OE1-CB 3.49Å; E463-E606 PolarHBondContact OE1-N 2.89Å
464	E	30.6	Very low	31	Very low	113 Å²	113	123.6 Å²	123.6	53%	0.528	68%	0.681	S	S	.	*			trans	-168	169.2	-150.4	-140.1	-164.3	138.6	0	0	110.9	V466	E464-V466 WeakPolarHBondContact OE1-CA 3.25Å; E464-V466 VanDerWaalsContact OE1-CG1 3.3Å; E464-V466 WeakPolarHBondContact OE1-CG1 3.37Å; E464-V466 PolarHBondContact OE1-N 3.09Å
465	P	38.3	Very low	31	Very low	108 Å²	108	120.5 Å²	120.5	70%	0.701	67%	0.673	S	S	*	*				-145.7	136.2	81.4	32.9	-12.9	0	0	0	118.2
466	V	33.3	Very low	31.1	Very low	101 Å²	101	121.6 Å²	121.6	61%	0.612	68%	0.675	S	S	*	*				15.7	149.7	126.5	-100.9	0	0	0	0	119.4	E464	E464-V466 WeakPolarHBondContact OE1-CA 3.25Å; E464-V466 VanDerWaalsContact OE1-CG1 3.3Å; E464-V466 WeakPolarHBondContact OE1-CG1 3.37Å; E464-V466 PolarHBondContact OE1-N 3.09Å
467	P	42.1	Very low	31.2	Very low	107 Å²	107	120.6 Å²	120.6	70%	0.695	68%	0.675	S	S	*	*			cis	-152.9	169.3	49.1	45	-24.7	0	0	0	122
468	Y	26.8	Very low	31	Very low	215 Å²	215	119.2 Å²	119.2	84%	0.843	68%	0.676	S	S	*	*			trans	79.8	113	154	-78.4	-65.8	0	0	0	123.1
469	S	33.7	Very low	30.5	Very low	108 Å²	108	121.2 Å²	121.2	76%	0.755	68%	0.68	S	S	*	*			trans	-108.4	159.4	144.9	-50.3	0	0	0	0	108.1
470	P	38.9	Very low	31.2	Very low	133 Å²	133	121.2 Å²	121.2	86%	0.864	69%	0.687	S	S	*	*				-136.2	-174.4	68.4	20.9	4	0	0	0	112.1
471	G	25.2	Very low	31.2	Very low	66 Å²	66	118.1 Å²	118.1	68%	0.68	69%	0.694	S	S	*	*			cis	133.8	150.1	1.5	0	0	0	0	0	112
472	L	29.4	Very low	31.1	Very low	180 Å²	180	118.7 Å²	118.7	94%	0.942	70%	0.701	S	S	*	*			trans	73.5	118.1	171.6	-70.7	161.7	0	0	0	120.5
473	D	27.9	Very low	31.1	Very low	143 Å²	143	121.8 Å²	121.8	77%	0.765	71%	0.713	S	S	*	*			trans	-54.2	159.5	140.8	-89.5	-63.1	0	0	0	111.4
474	P	37.3	Very low	31.1	Very low	109 Å²	109	129 Å²	129	71%	0.708	74%	0.738	S	S	*	*			cis	-156.8	167	42.4	44.5	-23.4	0	0	0	120.4
475	N	25.7	Very low	31.1	Very low	120 Å²	120	128.6 Å²	128.6	64%	0.642	75%	0.748	S	S	*	*			trans	43.8	127.7	137.7	-78.6	-99.1	0	0	0	124.2
476	K	26.6	Very low	30.5	Very low	183 Å²	183	135.4 Å²	135.4	80%	0.796	76%	0.759	S	S	*	*				85.5	107.3	126.2	-75.8	174.4	179.7	169.2	0	123.7
477	A	26.9	Very low	30.1	Very low	90 Å²	90	133.5 Å²	133.5	74%	0.744	76%	0.76	S	S	*	*				75.3	134.2	103.5	0	0	0	0	0	123.6
478	S	29.6	Very low	29.4	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	77%	0.771	S	S	*	*			trans	-134.2	132.7	143.1	46.8	0	0	0	0	107.4
479	L	29.2	Very low	29.3	Very low	150 Å²	150	133.7 Å²	133.7	79%	0.785	77%	0.77	S	S	*	*			cis	74.2	146.9	43.7	-60.3	175.5	0	0	0	112.6
480	P	40.9	Very low	28.9	Very low	120 Å²	120	132.5 Å²	132.5	78%	0.779	77%	0.766	S	S	*	*			cis	-102.6	165.4	14.6	3.9	20.7	0	0	0	114.1
481	A	28	Very low	28.3	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	77%	0.767	S	S	*	*				74.1	149	54.6	0	0	0	0	0	113.8
482	S	27.8	Very low	28.4	Very low	99 Å²	99	137 Å²	137	69%	0.692	78%	0.776	S	S	*	*			cis	-159.9	144.9	20.8	-154.8	0	0	0	0	116.1
483	F	27.1	Very low	28.5	Very low	162 Å²	162	136 Å²	136	71%	0.711	77%	0.766	S	S	*	*			trans	49.3	119.5	138.8	-81	-129.2	0	0	0	123.8
484	R	28.5	Very low	29.3	Very low	206 Å²	206	134.4 Å²	134.4	78%	0.777	76%	0.763	S	S	*	*				81.3	118.6	125.6	-72.3	-170.5	-176	-164	-0.5	123.5
485	S	29.2	Very low	29	Very low	104 Å²	104	132.8 Å²	132.8	73%	0.727	75%	0.754	S	S	*	*				82.3	106.8	121.8	-62.8	0	0	0	0	122.6
486	R	27.1	Very low	29.1	Very low	251 Å²	251	135.4 Å²	135.4	95%	0.947	76%	0.76	S	S	*	*				53	105.1	123.3	-173.6	-167.1	-81	-159.6	-5.5	118.8
487	G	24.8	Very low	29.3	Very low	61 Å²	61	133.5 Å²	133.5	63%	0.629	76%	0.758	S	S	*	*				132.5	118.4	124.9	0	0	0	0	0	119.3
488	F	26.7	Very low	29.4	Very low	211 Å²	211	137.1 Å²	137.1	93%	0.925	76%	0.759	S	S	*	*			trans	62.9	128.6	142.9	-65.2	-75.8	0	0	0	123.2
489	S	24.3	Very low	29.3	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	76%	0.761	S	S	*	*				105.2	133.1	127.9	-158	0	0	0	0	121.2
490	A	26.5	Very low	29.1	Very low	82 Å²	82	139 Å²	139	68%	0.678	76%	0.761	S	S	*	*			trans	58.9	120.5	159.7	0	0	0	0	0	119.2
491	H	26.2	Very low	28.5	Very low	190 Å²	190	139.6 Å²	139.6	88%	0.88	76%	0.762	S	S	*	*				75.7	113.4	58.2	-90.5	-69.4	0	0	0	116.1
492	A	27.3	Very low	28.5	Very low	105 Å²	105	140.9 Å²	140.9	87%	0.868	76%	0.757	S	S	*	*			trans	-156.2	84.9	155.1	0	0	0	0	0	111.3
493	E	30.4	Very low	28.7	Very low	159 Å²	159	144.4 Å²	144.4	74%	0.743	76%	0.76	S	S	*	*			trans	-80.8	160.1	159.6	-119.4	-73.3	139.2	0	0	108.7	S495	E493-S495 PolarHBondContact OE2-N 2.76Å
494	P	45.8	Very low	28.8	Very low	108 Å²	108	147 Å²	147	70%	0.701	77%	0.765	S	S	*	*				-159.7	134.2	110.3	36.5	-15	0	0	0	119.9
495	S	29.5	Very low	28.8	Very low	75 Å²	75	142.2 Å²	142.2	52%	0.524	75%	0.751	S	S	.	*				86.7	156.4	123.1	79	0	0	0	0	120.4	E493	E493-S495 PolarHBondContact OE2-N 2.76Å
496	K	28.6	Very low	29	Very low	176 Å²	176	145.2 Å²	145.2	77%	0.765	75%	0.751	S	S	*	*			cis	-150.5	142.4	15.6	-121.7	129.2	-158.8	156	0	113.8
497	L	30.1	Very low	28.9	Very low	143 Å²	143	141.6 Å²	141.6	75%	0.749	75%	0.75	S	S	*	*			trans	10.4	146.5	133	-59.3	160	0	0	0	118.8
498	Q	30.6	Very low	29.2	Very low	165 Å²	165	147.2 Å²	147.2	77%	0.771	76%	0.757	S	S	*	*				-179.1	126.5	52.1	-164	143.4	-73.7	0	0	116.7
499	K	27.3	Very low	29.7	Very low	184 Å²	184	142.7 Å²	142.7	80%	0.8	75%	0.748	S	S	*	*			trans	26.2	102.9	135.1	-162.1	174.8	-175.6	175.6	0	123
500	C	25.2	Very low	30	Very low	117 Å²	117	141.7 Å²	141.7	79%	0.791	74%	0.741	S	S	*	*				55.4	148.1	127.1	-50.9	0	0	0	0	126
501	V	27.6	Very low	30.2	Very low	131 Å²	131	144.1 Å²	144.1	79%	0.794	75%	0.748	S	S	*	*			trans	109.3	120.1	145.3	163.7	0	0	0	0	121.7
502	D	28.4	Very low	31.5	Very low	113 Å²	113	140.5 Å²	140.5	60%	0.604	74%	0.742	S	S	*	*			trans	70.8	127.8	149.8	-88.2	-29.4	0	0	0	127.4
503	K	31.8	Very low	32.8	Very low	174 Å²	174	140 Å²	140	76%	0.757	73%	0.729	S	S	*	*			trans	52.6	133	136.8	-62.9	155.3	-173.2	138.8	0	119.8
504	R	28.6	Very low	33	Very low	216 Å²	216	141.6 Å²	141.6	82%	0.815	73%	0.734	S	S	*	*				-179.7	156.3	68.6	-174.7	168.3	-179.4	178.9	-0.5	115.2
505	E	28.9	Very low	32.4	Very low	106 Å²	106	147 Å²	147	50%	0.495	74%	0.74	S	S	.	*			trans	4.1	133.2	164.2	-63.1	-179.3	94.4	0	0	126.4
506	K	32.7	Very low	32.7	Very low	166 Å²	166	150.5 Å²	150.5	72%	0.722	75%	0.751	S	S	*	*				54.4	134.2	125.8	-57.7	170.5	-176.8	160.2	0	122.8
507	L	26.1	Very low	32.8	Very low	176 Å²	176	149.1 Å²	149.1	92%	0.921	75%	0.745	S	S	*	*				-170.1	179.3	100.9	-100.4	168.9	0	0	0	113.4
508	K	29.5	Very low	32.9	Very low	179 Å²	179	147.7 Å²	147.7	78%	0.778	74%	0.743	S	S	*	*			trans	-153.7	150.6	-165.1	-164.1	-179.9	-175.7	177.7	0	111.9
509	P	37.3	Very low	32.8	Very low	115 Å²	115	147 Å²	147	75%	0.747	74%	0.74	S	S	*	*				-138	138.4	113.3	12.5	10.4	0	0	0	113.1
510	S	30.9	Very low	33	Very low	95 Å²	95	142.8 Å²	142.8	66%	0.664	73%	0.733	S	S	*	*				87.1	152.8	79.7	-54.5	0	0	0	0	112.7
511	T	31.7	Very low	33.1	Very low	133 Å²	133	146.6 Å²	146.6	82%	0.816	74%	0.739	S	S	*	*			cis	-150.4	164.2	14.9	-3	0	0	0	0	111.7
512	P	52.2	Low	33.3	Very low	115 Å²	115	148.5 Å²	148.5	75%	0.747	74%	0.74	S	S	*	*			trans	-90.5	-165	175.3	39	-33.1	0	0	0	112.1
513	P	54.7	Low	34	Very low	94 Å²	94	147.5 Å²	147.5	61%	0.61	74%	0.739	S	S	*	*			cis	-153.5	172.4	15.4	44.7	-23.8	0	0	0	122.2
514	K	34.8	Very low	33.7	Very low	193 Å²	193	147.7 Å²	147.7	84%	0.839	74%	0.742	S	S	*	*			trans	157.7	166.3	152.9	-82.6	144.7	-135.2	111.8	0	108.1
515	R	33.1	Very low	33.7	Very low	220 Å²	220	140.9 Å²	140.9	83%	0.83	73%	0.732	S	S	*	*			cis	-162.2	158.2	-28.2	-106.3	-158.3	171.1	-170.3	-1.6	105.4
516	I	36.8	Very low	33.5	Very low	149 Å²	149	143.6 Å²	143.6	76%	0.764	75%	0.75	S	S	*	*			cis	80.4	123.4	29.9	-56.9	169.2	0	0	0	113.1
517	K	29.8	Very low	33.3	Very low	147 Å²	147	140.4 Å²	140.4	64%	0.639	76%	0.755	S	S	*	*			cis	-129.2	-143.9	16.1	-165	-129.1	161.1	-159.2	0	113.3	E519	K517-E519 WeakPolarHBondContact CE-OE2 3.43Å; K517-E519 IonicContact NZ-OE2 2.66Å; K517-E519 PolarHBondContact NZ-OE2 3.34Å
518	T	33.2	Very low	33.5	Very low	113 Å²	113	137.2 Å²	137.2	69%	0.693	75%	0.748	S	S	*	*			trans	-163.2	-178.8	-160.3	3.1	0	0	0	0	113.4
519	E	28.3	Very low	34	Very low	152 Å²	152	134.5 Å²	134.5	71%	0.71	75%	0.748	S	S	*	*			trans	80.8	159.3	173	-61.8	-175.7	94	0	0	117.8	K517	K517-E519 WeakPolarHBondContact CE-OE2 3.43Å; K517-E519 IonicContact NZ-OE2 2.66Å; K517-E519 PolarHBondContact NZ-OE2 3.34Å
520	S	31.4	Very low	33.5	Very low	94 Å²	94	139.4 Å²	139.4	66%	0.657	75%	0.753	S	S	*	*			cis	-172.3	166.5	-27.4	-87.7	0	0	0	0	111.2
521	E	28.1	Very low	34.3	Very low	197 Å²	197	140 Å²	140	92%	0.921	76%	0.755	S	S	*	*			trans	77	176.3	152.4	-130.1	164	119.2	0	0	121.9
522	E	30.1	Very low	34	Very low	172 Å²	172	140.5 Å²	140.5	80%	0.804	75%	0.753	S	S	*	*			trans	-119.7	-167	-154.2	-121.8	-169.7	129.7	0	0	109.9
523	P	45	Very low	32.9	Very low	92 Å²	92	140.2 Å²	140.2	60%	0.597	75%	0.753	S	S	*	*			cis	-136.3	-172.7	-25.5	33.8	-13.4	0	0	0	114.7
524	H	24.7	Very low	31.5	Very low	177 Å²	177	139.5 Å²	139.5	82%	0.819	76%	0.763	S	S	*	*			trans	80.8	127.7	140.1	-93.9	-65.1	0	0	0	124.7
525	A	28.5	Very low	31.6	Very low	73 Å²	73	141.2 Å²	141.2	60%	0.603	76%	0.764	S	S	*	*			trans	88.2	130.4	133.3	0	0	0	0	0	122.1
526	N	23.6	Very low	31.6	Very low	163 Å²	163	136.4 Å²	136.4	87%	0.872	76%	0.759	S	S	*	*			trans	52	136.5	143.7	-54.9	-12.4	0	0	0	119.4
527	A	28.8	Very low	31.3	Very low	100 Å²	100	134 Å²	134	83%	0.826	76%	0.762	S	S	*	*			cis	-157.4	-179.9	18.8	0	0	0	0	0	111.9
528	S	29.9	Very low	31.3	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	77%	0.77	S	S	*	*			trans	-94.9	155.8	155.9	71	0	0	0	0	109.3
529	P	41.2	Very low	31.4	Very low	121 Å²	121	136.9 Å²	136.9	79%	0.786	77%	0.772	S	S	*	*				-145.9	176.3	74.5	39	-20.3	0	0	0	116.9
530	Y	26.7	Very low	31.7	Very low	218 Å²	218	137.1 Å²	137.1	86%	0.855	78%	0.777	S	S	*	*			trans	-55.7	174.9	154.2	-95.7	-102.8	0	0	0	112.9
531	P	47.5	Very low	31.7	Very low	108 Å²	108	137 Å²	137	70%	0.701	78%	0.776	S	S	*	*			cis	-139.2	-177.3	3.3	42.1	-23.9	0	0	0	117.2
532	D	26.4	Very low	32.1	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	77%	0.771	S	S	*	*			trans	81.7	144.5	137.2	-130.7	-11.6	0	0	0	125.7
533	S	27.3	Very low	32.4	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	77%	0.769	S	S	*	*			trans	27	133.2	149.9	-72.3	0	0	0	0	123.9
534	G	26.9	Very low	31.9	Very low	78 Å²	78	138.6 Å²	138.6	80%	0.804	79%	0.785	S	S	*	*			trans	-173.9	42.2	171.6	0	0	0	0	0	121.2
535	R	36.4	Very low	32.6	Very low	229 Å²	229	137 Å²	137	86%	0.864	78%	0.781	S	S	*	*			trans	33.8	120	153.2	-78.1	-176.8	170.9	-120.4	0.3	122.8
536	T	31.9	Very low	32.8	Very low	119 Å²	119	143.2 Å²	143.2	73%	0.73	80%	0.795	S	S	*	*				59	130.3	129	63.8	0	0	0	0	123.8
537	A	31.9	Very low	33.5	Very low	100 Å²	100	140.6 Å²	140.6	83%	0.826	78%	0.784	S	S	*	*				-159.1	155.5	128	0	0	0	0	0	112.2
538	F	30.3	Very low	33.5	Very low	185 Å²	185	145.2 Å²	145.2	81%	0.811	79%	0.789	S	S	*	*			trans	-80.2	161	178.5	-54.8	-100.3	0	0	0	111.1
539	N	33.4	Very low	33.5	Very low	135 Å²	135	148 Å²	148	72%	0.722	79%	0.79	S	S	*	*				-177.2	161.3	68.5	-95.7	-59.7	0	0	0	113.3
540	L	35.7	Very low	33	Very low	157 Å²	157	147.6 Å²	147.6	82%	0.822	79%	0.79	S	S	*	*			trans	34.2	138.5	139.4	-56.6	171.3	0	0	0	120.3
541	S	31.9	Very low	33	Very low	90 Å²	90	141.8 Å²	141.8	63%	0.629	78%	0.78	S	S	*	*			cis	-162.9	162.1	-0.4	55	0	0	0	0	111
542	N	36.3	Very low	32.3	Very low	154 Å²	154	143.3 Å²	143.3	82%	0.824	78%	0.782	S	S	*	*			trans	154.9	105.2	136.9	-77.3	-7.3	0	0	0	110.5
543	V	35.7	Very low	32.4	Very low	126 Å²	126	144 Å²	144	76%	0.764	78%	0.781	S	S	*	*			trans	-104.9	135.1	175.6	175	0	0	0	0	109.4	I545	V543-I545 HydrophobicContact CG1-CD1 4.11Å; V543-I545 HydrophobicContact CG1-CG1 4.07Å
544	K	34.3	Very low	32.5	Very low	216 Å²	216	148 Å²	148	94%	0.939	78%	0.781	S	S	*	*			trans	-146.4	78.1	160.4	-137.5	173.3	-172.9	179	0	110.4
545	I	39.8	Very low	32.7	Very low	143 Å²	143	151.8 Å²	151.8	73%	0.733	78%	0.777	S	S	*	*			trans	-79.2	141.3	166.4	-64.6	164.5	0	0	0	107.2	V543	V543-I545 HydrophobicContact CG1-CD1 4.11Å; V543-I545 HydrophobicContact CG1-CG1 4.07Å
546	K	33.5	Very low	32.4	Very low	203 Å²	203	149.8 Å²	149.8	88%	0.883	77%	0.771	S	S	*	*			trans	-114	131.8	158.3	-158.8	-174.1	179.6	-159.1	0	108.2
547	V	37	Very low	32.5	Very low	108 Å²	108	149.6 Å²	149.6	66%	0.655	77%	0.765	S	S	*	*			trans	-81.3	148.6	-178.3	172.5	0	0	0	0	110.2	E549	V547-E549 HydrophobicContact CG1-CB 4.18Å
548	E	30.3	Very low	32.5	Very low	197 Å²	197	152.8 Å²	152.8	92%	0.921	76%	0.763	S	S	*	*			trans	-145.9	127.1	143.8	-154.6	144.9	-128.5	0	0	108
549	E	28.7	Very low	32.6	Very low	168 Å²	168	148.4 Å²	148.4	79%	0.785	76%	0.755	S	S	*	*			trans	-158.3	135.3	-171.8	178.8	174.3	-124.3	0	0	108.1	V547	V547-E549 HydrophobicContact CG1-CB 4.18Å
550	S	31.5	Very low	32.6	Very low	113 Å²	113	150.4 Å²	150.4	79%	0.79	76%	0.76	S	S	*	*			trans	62.5	158.6	-176.9	-99.2	0	0	0	0	115.6
551	C	25.8	Very low	32.2	Very low	96 Å²	96	146 Å²	146	65%	0.649	75%	0.746	S	S	*	*			cis	-151	155	-16.6	-156.6	0	0	0	0	107.3
552	D	32.9	Very low	32.3	Very low	140 Å²	140	144.5 Å²	144.5	75%	0.749	74%	0.74	S	S	*	*				147.7	174.9	107.4	-75.5	-35	0	0	0	105.8
553	E	28.8	Very low	32.2	Very low	158 Å²	158	142.5 Å²	142.5	74%	0.738	73%	0.733	S	S	*	*			cis	-175	127.7	-45.8	-177.5	173.9	-147	0	0	105
554	Y	29	Very low	32.4	Very low	193 Å²	193	141.7 Å²	141.7	76%	0.757	73%	0.728	S	S	*	*			trans	67	143.7	161.5	-91.3	-121.2	0	0	0	124.5
555	E	32.3	Very low	32.1	Very low	157 Å²	157	137.9 Å²	137.9	73%	0.734	71%	0.711	S	S	*	*			trans	61.2	159.5	149.7	-76.3	179.7	-167	0	0	120.8
556	Y	29.8	Very low	31.7	Very low	188 Å²	188	136.9 Å²	136.9	74%	0.737	72%	0.716	S	S	*	*			cis	-142	-169.2	0.5	-163.7	-121.3	0	0	0	112.3
557	L	33.4	Very low	31.5	Very low	114 Å²	114	136.9 Å²	136.9	60%	0.597	72%	0.716	S	S	*	*			trans	-70.2	168.9	-168.6	-59.2	175.2	0	0	0	118.9
558	Q	31.9	Very low	31.2	Very low	168 Å²	168	134.6 Å²	134.6	79%	0.785	71%	0.714	S	S	*	*			trans	80.7	153.2	139.9	-133.6	66	4.5	0	0	120.6
559	S	33.4	Very low	31.2	Very low	93 Å²	93	132.8 Å²	132.8	65%	0.65	71%	0.711	S	S	*	*			trans	-119.4	139	179.5	48.3	0	0	0	0	111.7
560	Q	31.7	Very low	31.4	Very low	176 Å²	176	134 Å²	134	82%	0.822	71%	0.713	S	S	*	*			trans	-178.2	145.8	141.7	-109.6	167.4	97.6	0	0	117.1
561	A	28.8	Very low	31.6	Very low	64 Å²	64	132.5 Å²	132.5	53%	0.529	71%	0.708	S	S	.	*			trans	52.5	109.9	133.1	0	0	0	0	0	123.5
562	A	32.6	Very low	31.9	Very low	60 Å²	60	135.3 Å²	135.3	50%	0.496	72%	0.716	S	S	.	*				86.8	119.1	112.4	0	0	0	0	0	122.5	S334	S334-A562 WeakPolarHBondContact CB-O 3.25Å
563	V	35.3	Very low	32	Very low	111 Å²	111	136.6 Å²	136.6	67%	0.673	72%	0.722	S	S	*	*				79.8	112.6	122.3	172.7	0	0	0	0	120.1
564	V	40.3	Very low	32	Very low	109 Å²	109	135.2 Å²	135.2	66%	0.661	73%	0.73	S	S	*	*			trans	57.6	138.3	137.2	177.8	0	0	0	0	121.5	S336	S336-V564 VanDerWaalsContact OG-C 3.23Å
565	K	27.6	Very low	32.1	Very low	137 Å²	137	129.3 Å²	129.3	60%	0.596	73%	0.728	S	S	*	*			trans	-154	109.6	158.2	-174.3	-178.7	-174.5	178.2	0	110.5	S336	S336-K565 VanDerWaalsContact CB-CB 3.47Å; S336-K565 WeakPolarHBondContact OG-CB 3.25Å; S336-K565 PolarHBondContact OG-N 2.76Å
566	C	30.4	Very low	32.2	Very low	122 Å²	122	126 Å²	126	82%	0.824	73%	0.728	S	S	*	*			trans	-89.8	167.7	155.3	-59.4	0	0	0	0	109.1
567	K	30.1	Very low	32.3	Very low	203 Å²	203	123.9 Å²	123.9	88%	0.883	73%	0.728	S	S	*	*			trans	-134.9	131.2	-164	-178.9	-177.4	176.5	-175.6	0	112.8
568	G	30.6	Very low	32.4	Very low	60 Å²	60	126.6 Å²	126.6	62%	0.619	74%	0.735	S	S	*	*			trans	81.6	150.5	170.3	0	0	0	0	0	114.9
569	D	30.7	Very low	32.3	Very low	159 Å²	159	127.7 Å²	127.7	85%	0.85	74%	0.739	S	S	*	*			cis	-158.8	148.9	-7.7	-102.3	-33.1	0	0	0	111.2
570	K	32.4	Very low	32	Very low	193 Å²	193	127.1 Å²	127.1	84%	0.839	75%	0.748	S	S	*	*			trans	154	101.2	135	-81.9	-78.4	178.1	176.1	0	113.7
571	A	35	Very low	31.8	Very low	82 Å²	82	122.5 Å²	122.5	68%	0.678	75%	0.747	S	S	*	*			trans	28.6	105.4	142	0	0	0	0	0	121.1
572	D	33.5	Very low	31.9	Very low	154 Å²	154	129.6 Å²	129.6	82%	0.824	77%	0.767	S	S	*	*				72.7	150.7	123.7	-67.4	-50.9	0	0	0	124.1
573	L	33.3	Very low	32.1	Very low	168 Å²	168	131.3 Å²	131.3	88%	0.88	78%	0.775	S	S	*	*			trans	66.4	88.4	162.9	-69.6	162.3	0	0	0	118.6
574	S	30.6	Very low	32	Very low	128 Å²	128	131.1 Å²	131.1	90%	0.895	78%	0.779	S	S	*	*				-159.3	149.1	113.8	50.2	0	0	0	0	111.4
575	G	30.6	Very low	31.6	Very low	69 Å²	69	132 Å²	132	71%	0.711	79%	0.789	S	S	*	*			trans	-120.4	148.1	176	0	0	0	0	0	111.9
576	A	34.3	Very low	31.5	Very low	89 Å²	89	128.9 Å²	128.9	74%	0.736	80%	0.797	S	S	*	*			trans	66	125	139.9	0	0	0	0	0	121.2
577	I	32.3	Very low	31.7	Very low	143 Å²	143	130.8 Å²	130.8	73%	0.733	80%	0.797	S	S	*	*				87.6	101.3	127.1	-70.5	173.7	0	0	0	119.8
578	K	35.1	Very low	31.8	Very low	171 Å²	171	130.6 Å²	130.6	74%	0.743	80%	0.796	S	S	*	*				67.9	136	124.8	-63.8	-173.7	-169.8	177.8	0	123.4
579	H	29.1	Very low	31.8	Very low	190 Å²	190	132 Å²	132	88%	0.88	80%	0.802	S	S	*	*			trans	75.1	147	136.6	-87.1	-117	0	0	0	121.6
580	G	27	Very low	31.7	Very low	81 Å²	81	129.1 Å²	129.1	84%	0.835	80%	0.801	S	S	*	*			trans	113.9	131	172	0	0	0	0	0	112.6
581	G	28.2	Very low	31.4	Very low	79 Å²	79	126.8 Å²	126.8	81%	0.814	79%	0.792	S	S	*	*			cis	-160.9	-168.2	2.6	0	0	0	0	0	113.2
582	F	31.2	Very low	31.3	Very low	214 Å²	214	130.7 Å²	130.7	94%	0.939	79%	0.794	S	S	*	*			trans	-86.7	156.3	-165.8	-107.7	-119.5	0	0	0	116.3
583	S	36.3	Very low	31.2	Very low	96 Å²	96	128.9 Å²	128.9	67%	0.671	79%	0.793	S	S	*	*			trans	-27.5	149.3	159.2	-38.1	0	0	0	0	116.6
584	S	34.1	Very low	32.1	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	79%	0.788	S	S	*	*				163.1	170.6	71.7	52.4	0	0	0	0	113.7
585	S	30.2	Very low	31.9	Very low	127 Å²	127	127.6 Å²	127.6	89%	0.888	78%	0.784	S	S	*	*			trans	81.6	151.6	157.9	82.9	0	0	0	0	120.6
586	G	26.1	Very low	32	Very low	73 Å²	73	130.5 Å²	130.5	75%	0.753	79%	0.788	S	S	*	*			trans	132.3	127.1	173.7	0	0	0	0	0	114.6
587	I	35.7	Very low	31.8	Very low	162 Å²	162	130.5 Å²	130.5	83%	0.831	79%	0.787	S	S	*	*			trans	-149.1	152.1	179.7	-40.4	176	0	0	0	110.2
588	K	32.3	Very low	32.3	Very low	198 Å²	198	128.6 Å²	128.6	86%	0.861	78%	0.784	S	S	*	*			trans	83.9	157	169.4	-54.7	179.1	-177.4	178.4	0	116.2
589	A	30	Very low	31.8	Very low	89 Å²	89	130.9 Å²	130.9	74%	0.736	79%	0.788	S	S	*	*			cis	-173.9	164	-28.8	0	0	0	0	0	110.4
590	A	28.8	Very low	31.7	Very low	100 Å²	100	131 Å²	131	83%	0.826	79%	0.787	S	S	*	*			trans	69.4	164.9	169.3	0	0	0	0	0	115.8
591	E	26.2	Very low	32.7	Very low	143 Å²	143	131.9 Å²	131.9	67%	0.668	78%	0.778	S	S	*	*			cis	-156.3	149	19.3	-154.4	-168.2	165.8	0	0	114.1
592	K	32.8	Very low	32.5	Very low	165 Å²	165	134.5 Å²	134.5	72%	0.717	78%	0.782	S	S	*	*			trans	49.5	142.2	154	67.4	-164.5	162.8	-150.7	0	124.7
593	S	31.8	Very low	32.2	Very low	115 Å²	115	127 Å²	127	80%	0.804	77%	0.766	S	S	*	*			trans	-92.6	-166.1	171.2	-29.4	0	0	0	0	111.1
594	P	51.6	Low	32.8	Very low	119 Å²	119	125.9 Å²	125.9	77%	0.773	76%	0.756	S	S	*	*			cis	-124	-168	17.6	49.4	-32.9	0	0	0	112.8
595	D	27.1	Very low	32.5	Very low	151 Å²	151	128 Å²	128	81%	0.807	75%	0.754	S	S	*	*				-150.2	178.3	60.5	-155.7	12.3	0	0	0	116.1
596	V	31.3	Very low	32.4	Very low	130 Å²	130	126.2 Å²	126.2	79%	0.788	73%	0.731	S	S	*	*			trans	-73.3	158.8	-154.9	161.9	0	0	0	0	118.4
597	A	29.5	Very low	32.4	Very low	88 Å²	88	127.3 Å²	127.3	73%	0.727	73%	0.727	S	S	*	*			trans	-95.6	-143.7	176.5	0	0	0	0	0	111.6
598	P	44.1	Very low	32	Very low	103 Å²	103	130.6 Å²	130.6	67%	0.669	73%	0.729	S	S	*	*			cis	-144.6	177.4	2.8	46.4	-27.3	0	0	0	118.9
599	R	25.2	Very low	31.7	Very low	219 Å²	219	126.1 Å²	126.1	83%	0.826	72%	0.722	S	S	*	*			trans	67.7	135.2	150.7	-72.3	161.6	-172.8	-166.1	2.5	119.6
600	F	26	Very low	31.7	Very low	192 Å²	192	126.2 Å²	126.2	84%	0.842	72%	0.718	S	S	*	*				56.3	151.9	67.2	-75.2	-62.5	0	0	0	115.2
601	P	48.1	Very low	31.6	Very low	101 Å²	101	129.5 Å²	129.5	66%	0.656	72%	0.716	S	S	*	*			cis	-140.8	-162.5	-22.6	40.2	-19.8	0	0	0	114.1
602	C	23.6	Very low	31.5	Very low	134 Å²	134	129.2 Å²	129.2	91%	0.905	72%	0.719	S	S	*	*			trans	66.4	169.1	162.3	-62.2	0	0	0	0	117
603	G	25.7	Very low	31.4	Very low	57 Å²	57	125.4 Å²	125.4	59%	0.588	72%	0.718	S	S	*	*			cis	-169.6	-162.5	6.5	0	0	0	0	0	112.5
604	P	49.3	Very low	31.8	Very low	71 Å²	71	126.4 Å²	126.4	46%	0.461	72%	0.722	S	S	.	*			trans	-109.4	173.9	-164.6	41.3	-36.1	0	0	0	116.4	E463	E463-P604 HydrophobicContact CB-CB 3.94Å; E463-P604 WeakPolarHBondContact OE2-CB 3.11Å
605	Q	27.9	Very low	30.5	Very low	150 Å²	150	125.1 Å²	125.1	70%	0.701	72%	0.716	S	S	*	*			trans	-171.4	158.9	134.5	-151.6	73.9	94.9	0	0	115.2	E463	E463-Q605 VanDerWaalsContact OE1-CA 3.29Å; E463-Q605 WeakPolarHBondContact OE1-CA 3.16Å; E463-Q605 PolarHBondContact OE1-NE2 3.37Å
606	E	27.9	Very low	30.7	Very low	90 Å²	90	124 Å²	124	42%	0.421	71%	0.714	S	S	.	*			trans	-79	171.8	-166	-128.6	-173	-166.8	0	0	121.3	R460 E463	R460-E606 IonicContact CZ-OE1 3.77Å; R460-E606 IonicContact NH2-OE1 3.29Å; R460-E606 PolarHBondContact NH2-OE1 3.27Å; R460-E606 IonicContact NH2-OE2 2.71Å; R460-E606 PolarHBondContact NH2-OE2 3.34Å; E463-E606 HydrophobicContact CG-CB 3.86Å; E463-E606 HydrophobicContact CG-CG 3.71Å; E463-E606 VanDerWaalsContact OE1-CB 3.29Å; E463-E606 WeakPolarHBondContact OE1-CB 3.49Å; E463-E606 PolarHBondContact OE1-N 2.89Å
607	C	25.8	Very low	30.7	Very low	97 Å²	97	125.1 Å²	125.1	66%	0.655	71%	0.711	S	S	*	*			trans	-46.6	150.6	171.8	-46.6	0	0	0	0	119.2
608	R	26.1	Very low	30.8	Very low	230 Å²	230	130.3 Å²	130.3	87%	0.868	72%	0.72	S	S	*	*				178.2	133.8	118.9	-92.2	151.7	-172.3	-97.6	0.6	108.5
609	S	28	Very low	30.2	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	72%	0.719	S	S	*	*			cis	73.8	100.4	48.9	-171.9	0	0	0	0	114.5
610	S	28	Very low	30.5	Very low	92 Å²	92	125.6 Å²	125.6	64%	0.643	72%	0.715	S	S	*	*				161	139.8	129.1	-72.7	0	0	0	0	113.6
611	Q	27.6	Very low	30.9	Very low	169 Å²	169	121.1 Å²	121.1	79%	0.79	70%	0.697	S	S	*	*			trans	65.8	158.7	148.2	-66.6	175	-72.1	0	0	118.5
612	D	25	Very low	30.4	Very low	137 Å²	137	125.9 Å²	125.9	73%	0.733	70%	0.702	S	S	*	*			cis	-149.7	176.5	-12.6	-125.9	-49.1	0	0	0	110.2
613	A	30.4	Very low	31.1	Very low	84 Å²	84	125.2 Å²	125.2	69%	0.694	69%	0.689	S	S	*	*			trans	-104	156.3	172.1	0	0	0	0	0	112.4
614	P	38.8	Very low	31.7	Very low	136 Å²	136	130.6 Å²	130.6	88%	0.883	70%	0.697	S	S	*	*				-154.2	-177.7	108.8	39.5	-20.6	0	0	0	117.8
615	S	25.3	Very low	31	Very low	92 Å²	92	133 Å²	133	64%	0.643	71%	0.71	S	S	*	*			trans	-83.3	162	-179.8	-169.3	0	0	0	0	115.6	E617	S615-E617 WeakPolarHBondContact CB-OE2 3.39Å; S615-E617 PolarHBondContact OG-OE2 3.03Å
616	V	31.5	Very low	31.1	Very low	128 Å²	128	131.8 Å²	131.8	78%	0.776	72%	0.717	S	S	*	*			trans	169.3	135.2	147.6	146.5	0	0	0	0	108.8
617	E	30.5	Very low	31.1	Very low	154 Å²	154	139 Å²	139	72%	0.72	74%	0.74	S	S	*	*			cis	90.5	141.2	28.5	-59.2	153.9	75.4	0	0	112.1	S615	S615-E617 WeakPolarHBondContact CB-OE2 3.39Å; S615-E617 PolarHBondContact OG-OE2 3.03Å
618	E	31.3	Very low	31.2	Very low	196 Å²	196	138.3 Å²	138.3	92%	0.916	74%	0.741	S	S	*	*			cis	-145.6	161.3	2.6	174.8	174	-158.1	0	0	107.2
619	G	32	Very low	32	Very low	63 Å²	63	133.6 Å²	133.6	65%	0.649	74%	0.74	S	S	*	*			cis	168	-123.1	3.2	0	0	0	0	0	112
620	E	31.4	Very low	31.8	Very low	160 Å²	160	132 Å²	132	75%	0.748	74%	0.741	S	S	*	*			trans	68.6	135.5	169.9	-65.1	-116.8	-20.3	0	0	120.1
621	Q	35.3	Very low	32	Very low	98 Å²	98	139.4 Å²	139.4	46%	0.458	75%	0.754	S	S	.	*			cis	-159.4	144.6	-8.9	-130.5	-168.4	38.6	0	0	115.1
622	R	37.9	Very low	31.9	Very low	201 Å²	201	138.5 Å²	138.5	76%	0.758	75%	0.75	S	S	*	*			trans	61.2	-175.4	156.1	-77	170.2	-168	153.4	-2	113.3
623	N	36.9	Very low	32.1	Very low	121 Å²	121	136.1 Å²	136.1	65%	0.647	75%	0.75	S	S	*	*			cis	-162.3	162.8	-41.6	62.3	157.4	0	0	0	106.3
624	K	38.9	Very low	32.2	Very low	170 Å²	170	140.4 Å²	140.4	74%	0.739	75%	0.753	S	S	*	*			cis	-156.1	176.6	23.5	-53.2	173.3	-176.7	175.5	0	107.5
625	T	35.2	Very low	32	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	75%	0.752	S	S	*	*			cis	-177.5	132.2	-31.4	38.6	0	0	0	0	106
626	C	30.3	Very low	32.7	Very low	124 Å²	124	144.2 Å²	144.2	84%	0.838	76%	0.755	S	S	*	*			cis	-126.4	-96.5	-10.1	-69.3	0	0	0	0	110.6
627	R	26.9	Very low	32.4	Very low	243 Å²	243	148.8 Å²	148.8	92%	0.917	76%	0.758	S	S	*	*			cis	-149.2	-161.7	-5.6	-151.9	-173.5	-179	-172.4	0.3	109
628	A	29	Very low	32.3	Very low	82 Å²	82	147.8 Å²	147.8	68%	0.678	76%	0.757	S	S	*	*			trans	-159	177.6	-166.3	0	0	0	0	0	111
629	P	42	Very low	32.1	Very low	130 Å²	130	143.5 Å²	143.5	84%	0.844	75%	0.748	S	S	*	*			cis	-144.9	-172	13.9	44.8	-25	0	0	0	118.2
630	G	24.3	Very low	31.9	Very low	72 Å²	72	150.8 Å²	150.8	74%	0.742	76%	0.756	S	S	*	*			trans	112.7	116.5	168.5	0	0	0	0	0	113.1
631	R	30.7	Very low	31.8	Very low	246 Å²	246	147.8 Å²	147.8	93%	0.928	75%	0.749	S	S	*	*			cis	83.8	144.1	21.8	-76.4	-167.4	177.8	-105.1	0.6	117.9
632	E	26.9	Very low	31.7	Very low	150 Å²	150	151.7 Å²	151.7	70%	0.701	77%	0.766	S	S	*	*			trans	74.7	137.1	-177.2	-51.4	-153.6	-176.6	0	0	116.4	K634	E632-K634 IonicContact OE1-NZ 3.61Å; E632-K634 WeakPolarHBondContact OE2-CE 3.31Å; E632-K634 IonicContact OE2-NZ 3.61Å; E632-K634 PolarHBondContact OE2-NZ 2.82Å
633	A	29	Very low	31.2	Very low	87 Å²	87	147.3 Å²	147.3	72%	0.719	76%	0.762	S	S	*	*			cis	98.6	147	11.3	0	0	0	0	0	117.6
634	K	31.6	Very low	30.9	Very low	174 Å²	174	149.6 Å²	149.6	76%	0.757	77%	0.767	S	S	*	*			trans	105.2	139.4	166.1	-58.3	152.1	-178.4	167	0	118.4	E632	E632-K634 IonicContact OE1-NZ 3.61Å; E632-K634 WeakPolarHBondContact OE2-CE 3.31Å; E632-K634 IonicContact OE2-NZ 3.61Å; E632-K634 PolarHBondContact OE2-NZ 2.82Å
635	K	36.1	Very low	30.3	Very low	200 Å²	200	148.2 Å²	148.2	87%	0.87	76%	0.763	S	S	*	*			trans	-96.3	-174.5	165.1	-60.1	174	-177.5	174.2	0	108.5
636	P	38.2	Very low	29.8	Very low	109 Å²	109	148.1 Å²	148.1	71%	0.708	76%	0.758	S	S	*	*			cis	-110	-110.2	-7.8	33.6	-14.3	0	0	0	114.2
637	R	27.1	Very low	29.7	Very low	223 Å²	223	148.1 Å²	148.1	84%	0.842	75%	0.753	S	S	*	*			cis	-155	106.7	11.6	-176.4	-176.9	-171.1	167.8	3.4	109.3
638	I	26.4	Very low	30.5	Very low	134 Å²	134	142.1 Å²	142.1	69%	0.687	75%	0.746	S	S	*	*				54.5	109.6	93.6	-57.6	177.3	0	0	0	116.6
639	S	27.2	Very low	30.5	Very low	105 Å²	105	148.8 Å²	148.8	73%	0.734	75%	0.754	S	S	*	*			trans	73.4	166.8	154.5	82	0	0	0	0	117.9
640	R	29.7	Very low	29.9	Very low	216 Å²	216	148.4 Å²	148.4	82%	0.815	75%	0.749	S	S	*	*			cis	-159.3	138	24.3	-145.6	-165.3	173.2	148.6	-3.5	115.7
641	T	28.8	Very low	30.2	Very low	97 Å²	97	150.4 Å²	150.4	60%	0.595	74%	0.742	S	S	*	*			trans	19.6	134.4	148	61.7	0	0	0	0	123.9
642	H	33.6	Very low	30	Very low	180 Å²	180	145.8 Å²	145.8	83%	0.833	73%	0.731	S	S	*	*				-160.4	126.2	123.6	37.7	-86.6	0	0	0	107
643	T	25.6	Very low	30.1	Very low	110 Å²	110	142.9 Å²	142.9	68%	0.675	73%	0.733	S	S	*	*			cis	85.3	131.4	17.7	-37.8	0	0	0	0	114.8
644	K	30.5	Very low	30.7	Very low	169 Å²	169	143.4 Å²	143.4	74%	0.735	73%	0.729	S	S	*	*			trans	85.2	119.1	179.8	-61.7	-152.7	167.1	-168	0	114.4
645	Q	26.8	Very low	30.6	Very low	140 Å²	140	140.7 Å²	140.7	65%	0.654	73%	0.732	S	S	*	*				71.8	142.9	74.3	-69.4	-178.2	-65.6	0	0	111.5
646	N	25.2	Very low	30.3	Very low	120 Å²	120	135.9 Å²	135.9	64%	0.642	72%	0.724	S	S	*	*			cis	-158.9	146.1	5	-127.1	10.6	0	0	0	111.3
647	V	27.7	Very low	29.9	Very low	123 Å²	123	135.7 Å²	135.7	75%	0.745	73%	0.725	S	S	*	*				60.6	147.5	129.3	169.5	0	0	0	0	120.3
648	P	43.4	Very low	30.1	Very low	117 Å²	117	130.2 Å²	130.2	76%	0.76	72%	0.721	S	S	*	*			trans	-124.8	-147.6	-157.5	44.5	-27.4	0	0	0	112.4
649	R	30.1	Very low	30	Very low	222 Å²	222	129.5 Å²	129.5	84%	0.838	73%	0.726	S	S	*	*			trans	113.2	141.1	151.3	-163.8	178.2	-170.3	150.6	2.5	115.3
650	V	28.5	Very low	30	Very low	123 Å²	123	129.5 Å²	129.5	75%	0.745	73%	0.726	S	S	*	*			trans	138.9	117.6	145.6	162.9	0	0	0	0	107.7
651	N	30.2	Very low	30	Very low	113 Å²	113	124.4 Å²	124.4	60%	0.604	72%	0.724	S	S	*	*			cis	-149.2	161.5	-1.3	-99.5	6	0	0	0	107.7
652	E	28.4	Very low	30	Very low	150 Å²	150	124.9 Å²	124.9	70%	0.701	73%	0.731	S	S	*	*			cis	-141.1	-131.4	-6.4	-136.4	173.5	-70.6	0	0	110.6
653	A	27.8	Very low	29.8	Very low	88 Å²	88	121.8 Å²	121.8	73%	0.727	73%	0.729	S	S	*	*			cis	-148	165.3	-1.6	0	0	0	0	0	109.7
654	P	42.1	Very low	29.9	Very low	99 Å²	99	121.2 Å²	121.2	64%	0.643	73%	0.73	S	S	*	*			trans	-118	159.9	-154.5	41.2	-33	0	0	0	119.2
655	S	28.6	Very low	29.9	Very low	116 Å²	116	118.4 Å²	118.4	81%	0.811	73%	0.731	S	S	*	*			trans	77.8	145.9	152.4	-61.1	0	0	0	0	119.7
656	S	29.9	Very low	29.9	Very low	100 Å²	100	116.3 Å²	116.3	70%	0.699	73%	0.733	S	S	*	*			cis	-166.3	124.2	-14.8	48.2	0	0	0	0	114
657	S	31	Very low	30.1	Very low	105 Å²	105	115.7 Å²	115.7	73%	0.734	74%	0.737	S	S	*	*			trans	28	133.7	137.6	64.9	0	0	0	0	124.8
658	S	31	Very low	30.1	Very low	108 Å²	108	115.2 Å²	115.2	76%	0.755	74%	0.735	S	S	*	*			trans	96.1	128.9	132.4	-64.9	0	0	0	0	123.9
659	C	24.4	Very low	29.6	Very low	118 Å²	118	115.1 Å²	115.1	80%	0.797	73%	0.732	S	S	*	*			trans	81.3	142	140.5	85.3	0	0	0	0	124.5
660	S	27.8	Very low	29.7	Very low	105 Å²	105	112.4 Å²	112.4	73%	0.734	73%	0.729	S	S	*	*			trans	52.4	113.5	141.1	-55.7	0	0	0	0	124.7
661	S	29	Very low	29.6	Very low	110 Å²	110	112.4 Å²	112.4	77%	0.769	73%	0.725	S	S	*	*				52.5	128.1	122.9	-52.2	0	0	0	0	124.9
662	S	29.5	Very low	30.1	Very low	106 Å²	106	113.7 Å²	113.7	74%	0.741	73%	0.731	S	S	*	*			trans	80.2	139.3	135.5	54.5	0	0	0	0	124
663	S	29	Very low	30.1	Very low	115 Å²	115	117.8 Å²	117.8	80%	0.804	74%	0.74	S	S	*	*			trans	66.3	148.7	160.5	31.6	0	0	0	0	119.5
664	S	27	Very low	30.5	Very low	99 Å²	99	119 Å²	119	69%	0.692	74%	0.744	S	S	*	*			cis	-171.9	162.2	-15.8	48.2	0	0	0	0	111.7
665	S	29.8	Very low	30.2	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	76%	0.756	S	S	*	*			trans	63.9	156.6	159.9	33.3	0	0	0	0	118.8
666	S	27.9	Very low	30.5	Very low	97 Å²	97	131.3 Å²	131.3	68%	0.678	76%	0.759	S	S	*	*			cis	-170.9	147.4	-12.7	45.7	0	0	0	0	112.9
667	S	29.4	Very low	30.8	Very low	106 Å²	106	135 Å²	135	74%	0.741	76%	0.763	S	S	*	*			trans	64.3	163.9	150.1	71.7	0	0	0	0	118.9
668	T	27.9	Very low	31.1	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.693	77%	0.767	S	S	*	*			cis	-151.8	160.5	15.8	37.8	0	0	0	0	113.4
669	T	31.6	Very low	31.2	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	76%	0.759	S	S	*	*			trans	61	124	145.5	50.5	0	0	0	0	121.8
670	E	32.2	Very low	31.6	Very low	166 Å²	166	140.4 Å²	140.4	78%	0.776	76%	0.763	S	S	*	*				67.7	147.5	86.3	-60.5	-58.6	153	0	0	114.4
671	D	28.3	Very low	32	Very low	122 Å²	122	139.4 Å²	139.4	65%	0.652	76%	0.761	S	S	*	*			cis	-153.1	-179.1	31.6	-169.7	-4.1	0	0	0	111.7
672	L	39.4	Very low	32.3	Very low	141 Å²	141	139 Å²	139	74%	0.738	76%	0.758	S	S	*	*			trans	-92.5	167.2	-175.3	-56.4	164.5	0	0	0	113.8
673	R	28.7	Very low	32.5	Very low	236 Å²	236	140.7 Å²	140.7	89%	0.891	76%	0.758	S	S	*	*				173.8	168.3	121.5	-92.7	156.3	-162.1	-155.4	3.4	116
674	S	36	Very low	33.1	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	77%	0.765	S	S	*	*			trans	-125.4	138.5	-174.6	172.3	0	0	0	0	113.4
675	R	35.5	Very low	33.3	Very low	240 Å²	240	143.7 Å²	143.7	91%	0.906	77%	0.77	S	S	*	*			trans	-156.1	130.9	161.1	-101.8	-175.6	173.8	-161.2	1.2	107.6
676	R	34.4	Very low	33.3	Very low	233 Å²	233	143.5 Å²	143.5	88%	0.879	78%	0.775	S	S	*	*			cis	93.8	130.4	23.6	-158.5	-177	-160	-157.6	7.8	114
677	K	36.1	Very low	33.3	Very low	177 Å²	177	143.6 Å²	143.6	77%	0.77	78%	0.782	S	S	*	*			trans	87.2	134.7	-168.3	-66	-175.6	175.9	-179.7	0	113.1
678	R	38.2	Very low	33.7	Very low	218 Å²	218	143.8 Å²	143.8	82%	0.823	79%	0.79	S	S	*	*			cis	75.1	132.7	45.4	-147.2	-150.1	-77.5	179.5	-8	109
679	S	32.6	Very low	33.8	Very low	84 Å²	84	143 Å²	143	59%	0.587	80%	0.795	S	S	*	*			cis	-163.9	159.7	35	-31.8	0	0	0	0	115.3
680	T	33.9	Very low	34.3	Very low	143 Å²	143	145 Å²	145	88%	0.877	81%	0.807	S	S	*	*			trans	72.9	155.1	141.1	-50.1	0	0	0	0	119.3
681	A	34.9	Very low	34.3	Very low	84 Å²	84	141.4 Å²	141.4	69%	0.694	81%	0.805	S	S	*	*			trans	-109.9	-154	-174.7	0	0	0	0	0	112.2
682	S	35.7	Very low	35	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	82%	0.817	S	S	*	*			trans	78.5	142.9	-167.2	81.9	0	0	0	0	113.1
683	N	34.5	Very low	34.8	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	82%	0.82	S	S	*	*			cis	-126.9	157.3	12.5	-73.5	-78.2	0	0	0	113.3
684	L	41.3	Very low	35.2	Very low	180 Å²	180	132.4 Å²	132.4	94%	0.942	81%	0.812	S	S	*	*			trans	-83.9	122.4	148.9	-82.9	83.1	0	0	0	107.9
685	A	31	Very low	35.5	Very low	97 Å²	97	133 Å²	133	80%	0.802	81%	0.813	S	S	*	*			trans	-150.5	141.2	157.2	0	0	0	0	0	107.6
686	A	30.2	Very low	35.9	Very low	105 Å²	105	125.9 Å²	125.9	87%	0.868	81%	0.806	S	S	*	*			trans	-94	145.7	-175.9	0	0	0	0	0	111.7
687	A	27.9	Very low	37	Very low	100 Å²	100	123.8 Å²	123.8	83%	0.826	80%	0.803	S	S	*	*				-171.9	158.9	129.5	0	0	0	0	0	110.8	A689	A687-A689 PolarHBondContact O-N 3.03Å
688	A	37.1	Very low	38.6	Very low	110 Å²	110	121.4 Å²	121.4	91%	0.909	80%	0.804	S	S	*	*			trans	-69.2	126.6	-177	0	0	0	0	0	113.1
689	A	29.2	Very low	39.8	Very low	95 Å²	95	116.6 Å²	116.6	79%	0.785	80%	0.8	S	S	*	*			trans	-133.6	135.7	156.9	0	0	0	0	0	108.6	A687 A691	A687-A689 PolarHBondContact O-N 3.03Å; A689-A691 PolarHBondContact O-N 2.78Å
690	V	42.1	Very low	41.7	Very low	159 Å²	159	121.8 Å²	121.8	96%	0.964	81%	0.813	S	S	*	*			trans	-75	110.3	-171.8	178	0	0	0	0	110.9
691	A	32.2	Very low	43.4	Very low	89 Å²	89	117.9 Å²	117.9	74%	0.736	79%	0.791	S	S	*	*			trans	-122.2	112.7	170.3	0	0	0	0	0	110.4	A689 A693	A689-A691 PolarHBondContact O-N 2.78Å; A691-A693 PolarHBondContact O-N 2.67Å
692	A	44.9	Very low	45.3	Very low	110 Å²	110	119.8 Å²	119.8	91%	0.909	79%	0.789	S	S	*	*			trans	-74.2	87.7	-176.8	0	0	0	0	0	112.1
693	A	34.9	Very low	46.9	Very low	96 Å²	96	122.3 Å²	122.3	79%	0.793	79%	0.792	S	S	*	*			trans	-82.5	129.9	173.8	0	0	0	0	0	111.6	A691	A691-A693 PolarHBondContact O-N 2.67Å
694	S	37	Very low	48.4	Very low	104 Å²	104	119.5 Å²	119.5	73%	0.727	79%	0.788	S	S	*	*			trans	-63.7	146.1	178.1	64.4	0	0	0	0	112.1	A696	S694-A696 PolarHBondContact O-N 3.38Å
695	P	41.7	Very low	49.7	Very low	127 Å²	127	117.2 Å²	117.2	83%	0.825	78%	0.777	S	S	*	*			trans	-63	113.7	178.2	26	-34.4	0	0	0	110.9
696	A	44.5	Very low	51.8	Low	90 Å²	90	119.2 Å²	119.2	74%	0.744	77%	0.768	S	S	*	*			trans	-58.2	137.1	166.3	0	0	0	0	0	109.1	S694 T698	S694-A696 PolarHBondContact O-N 3.38Å; A696-T698 PolarHBondContact O-N 3.49Å; A696-T698 VanDerWaalsContact O-N 3.08Å
697	K	58	Low	53.4	Low	189 Å²	189	119.7 Å²	119.7	82%	0.822	76%	0.762	S	S	*	*			trans	-68.8	109.9	177.5	-61.4	172.6	-169	163.4	0	108
698	T	67.9	Low	54.6	Low	128 Å²	128	120 Å²	120	79%	0.785	76%	0.758	S	S	*	*			trans	-57.1	138.3	163.8	43.8	0	0	0	0	108.8	A696	A696-T698 PolarHBondContact O-N 3.49Å; A696-T698 VanDerWaalsContact O-N 3.08Å
699	P	63.2	Low	55.5	Low	116 Å²	116	120 Å²	120	75%	0.753	75%	0.748	S	S	*	*			trans	-60.3	147.1	170.4	27.5	-33.8	0	0	0	108.8	S701	P699-S701 PolarHBondContact O-N 3.12Å
700	F	72.9	Confident	56.9	Low	194 Å²	194	119.8 Å²	119.8	85%	0.851	74%	0.739	S	S	*	*			trans	-64.4	115.2	-178.6	72.4	-82.4	0	0	0	109.5
701	S	70.3	Confident	58.2	Low	60 Å²	60	115.3 Å²	115.3	42%	0.42	72%	0.715	S	S	.	*			trans	-96.3	114.6	169	176.2	0	0	0	0	108.3	P699 M703 A704 N705	P699-S701 PolarHBondContact O-N 3.12Å; S701-M703 PolarHBondContact O-N 3.2Å; S701-M703 PolarHBondContact OG-N 2.88Å; S701-A704 PolarHBondContact O-N 3.13Å; S701-A704 PolarHBondContact OG-N 3.12Å; S701-N705 PolarHBondContact O-ND2 3.38Å
702	L	74	Confident	60.2	Low	124 Å²	124	116 Å²	116	65%	0.649	71%	0.705	S	S	*	*	S	Bend	trans	-57.1	-41.3	173.4	-167.5	91.3	0	0	0	110.2	A704 N705 F706	L702-A704 VanDerWaalsContact C-N 3.31Å; L702-A704 PolarHBondContact O-N 2.98Å; L702-N705 WeakPolarHBondContact O-CB 3.28Å; L702-N705 PolarHBondContact O-N 3.41Å; L702-N705 VanDerWaalsContact O-N 3.13Å; L702-F706 HydrophobicContact CD2-CE2 4.21Å; L702-F706 HydrophobicContact CG-CE2 4.12Å; L702-F706 WeakPolarHBondContact O-CD2 3.17Å
703	M	69.1	Low	61.6	Low	154 Å²	154	114.2 Å²	114.2	76%	0.759	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-65.1	-32.1	-179.2	-62.7	-158.1	75.1	0	0	113	S701 N705 F706	S701-M703 PolarHBondContact O-N 3.2Å; S701-M703 PolarHBondContact OG-N 2.88Å; M703-N705 PolarHBondContact O-N 2.82Å; M703-N705 VanDerWaalsContact O-N 3.12Å; M703-F706 PolarHBondContact O-N 3.14Å; M703-F706 VanDerWaalsContact O-N 3.12Å; M703-F706 VanDerWaalsContact O-O 3.1Å
704	A	67.7	Low	63.9	Low	82 Å²	82	114.3 Å²	114.3	68%	0.678	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-69.4	-5.2	176.1	0	0	0	0	0	114.5	S701 L702	S701-A704 PolarHBondContact O-N 3.13Å; S701-A704 PolarHBondContact OG-N 3.12Å; L702-A704 VanDerWaalsContact C-N 3.31Å; L702-A704 PolarHBondContact O-N 2.98Å
705	N	68.2	Low	65.4	Low	132 Å²	132	112.7 Å²	112.7	71%	0.706	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-96.6	-9.2	174.1	-70.3	-99.5	0	0	0	112.8	S701 L702 M703	S701-N705 PolarHBondContact O-ND2 3.38Å; L702-N705 WeakPolarHBondContact O-CB 3.28Å; L702-N705 PolarHBondContact O-N 3.41Å; L702-N705 VanDerWaalsContact O-N 3.13Å; M703-N705 PolarHBondContact O-N 2.82Å; M703-N705 VanDerWaalsContact O-N 3.12Å
706	F	73.9	Confident	66.9	Low	140 Å²	140	111.9 Å²	111.9	61%	0.614	65%	0.654	S	S	*	*	S	Bend	trans	-98.7	115.6	167.8	-59.1	-81.1	0	0	0	107.3	L702 M703	L702-F706 HydrophobicContact CD2-CE2 4.21Å; L702-F706 HydrophobicContact CG-CE2 4.12Å; L702-F706 WeakPolarHBondContact O-CD2 3.17Å; M703-F706 PolarHBondContact O-N 3.14Å; M703-F706 VanDerWaalsContact O-N 3.12Å; M703-F706 VanDerWaalsContact O-O 3.1Å
707	P	64.6	Low	68.4	Low	115 Å²	115	113.9 Å²	113.9	75%	0.747	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-57.4	146.7	164.8	27.3	-33.2	0	0	0	108.1
708	S	52.5	Low	69.6	Low	105 Å²	105	107.4 Å²	107.4	73%	0.734	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-48.9	137	169.7	47.7	0	0	0	0	109.1
709	P	56.5	Low	70	Confident	110 Å²	110	106.2 Å²	106.2	71%	0.714	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-52.9	142.5	177.1	24.4	-33.9	0	0	0	108.9	S711	P709-S711 PolarHBondContact O-N 3.4Å; P709-S711 VanDerWaalsContact O-N 3.14Å
710	P	59.7	Low	70.5	Confident	92 Å²	92	106.1 Å²	106.1	60%	0.597	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-54.2	127.4	179.5	24.2	-33.5	0	0	0	108.1	L712	P710-L712 PolarHBondContact O-N 3.49Å
711	S	67.8	Low	70.3	Confident	64 Å²	64	98.6 Å²	98.6	45%	0.448	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-53.6	138	179	26.6	0	0	0	0	109.3	P709 A723	P709-S711 PolarHBondContact O-N 3.4Å; P709-S711 VanDerWaalsContact O-N 3.14Å; S711-A723 WeakPolarHBondContact O-CB 3.02Å; S711-A723 PolarHBondContact O-N 2.91Å; S711-A723 VanDerWaalsContact OG-CB 3.28Å; S711-A723 WeakPolarHBondContact OG-CB 3.5Å
712	L	74.8	Confident	70.7	Confident	103 Å²	103	99.4 Å²	99.4	54%	0.539	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	136.3	169	-61	176.1	0	0	0	108	P710 L720 C721	P710-L712 PolarHBondContact O-N 3.49Å; L712-L720 HydrophobicContact CB-CB 4.25Å; L712-L720 HydrophobicContact CB-CD2 4.22Å; L712-L720 HydrophobicContact CD1-CB 4.17Å; L712-L720 HydrophobicContact CD1-CD1 4.27Å; L712-C721 CarbonylContact C-O 3.47Å; L712-C721 VanDerWaalsContact CA-O 3.31Å; L712-C721 WeakPolarHBondContact CA-O 3.48Å
713	V	75.3	Confident	70.2	Confident	74 Å²	74	95.1 Å²	95.1	45%	0.448	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	145.6	172.8	179.1	0	0	0	0	107	D715 L720 C721 A723	V713-D715 PolarHBondContact O-N 2.96Å; V713-L720 WeakPolarHBondContact O-CA 3.26Å; V713-C721 PolarHBondContact N-O 2.84Å; V713-C721 PolarHBondContact O-N 2.96Å; V713-A723 HydrophobicContact CG2-CB 3.69Å
714	V	81.7	Confident	69.7	Low	98 Å²	98	96.5 Å²	96.5	59%	0.594	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.3	115.7	170.3	-178.6	0	0	0	0	107.1	D719 L720	V714-D719 WeakPolarHBondContact CA-O 3.48Å; V714-L720 HydrophobicContact CG2-CD2 3.89Å
715	D	69.6	Low	69.1	Low	70 Å²	70	97.9 Å²	97.9	37%	0.374	58%	0.581	S	S	.	*			trans	-68.9	166.5	174.8	-148.7	-52.3	0	0	0	110.2	V713 N717 G718 D719 C721	V713-D715 PolarHBondContact O-N 2.96Å; D715-N717 PolarHBondContact O-N 3.34Å; D715-G718 PolarHBondContact O-N 3.16Å; D715-D719 PolarHBondContact N-O 2.99Å; D715-C721 HydrophobicContact CB-CB 4.44Å; D715-C721 PolarHBondContact OD2-SG 3.01Å
716	S	73.2	Confident	68.2	Low	109 Å²	109	99.9 Å²	99.9	76%	0.762	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.2	-26.5	172	53	0	0	0	0	115
717	N	75.9	Confident	67	Low	132 Å²	132	98.3 Å²	98.3	71%	0.706	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-1.7	178.3	-58.5	-36.6	0	0	0	114.4	D715 D719	D715-N717 PolarHBondContact O-N 3.34Å; N717-D719 VanDerWaalsContact C-N 3.32Å
718	G	81.7	Confident	66.1	Low	53 Å²	53	96.9 Å²	96.9	55%	0.546	59%	0.59	S	S	.	*	S	Bend	trans	87.1	-10.2	-173.5	0	0	0	0	0	115.2	D715	D715-G718 PolarHBondContact O-N 3.16Å
719	D	76.9	Confident	66.1	Low	103 Å²	103	100.8 Å²	100.8	55%	0.551	60%	0.602	S	S	*	*			trans	-72	152.2	177.1	-80.4	-46.6	0	0	0	113	V714 D715 N717 C721	V714-D719 WeakPolarHBondContact CA-O 3.48Å; D715-D719 PolarHBondContact N-O 2.99Å; N717-D719 VanDerWaalsContact C-N 3.32Å; D719-C721 PolarHBondContact O-N 2.88Å
720	L	74.4	Confident	65.9	Low	114 Å²	114	105.9 Å²	105.9	60%	0.597	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	105.7	176.2	-69.8	175.2	0	0	0	111.8	L712 V713 V714	L712-L720 HydrophobicContact CB-CB 4.25Å; L712-L720 HydrophobicContact CB-CD2 4.22Å; L712-L720 HydrophobicContact CD1-CB 4.17Å; L712-L720 HydrophobicContact CD1-CD1 4.27Å; V713-L720 WeakPolarHBondContact O-CA 3.26Å; V714-L720 HydrophobicContact CG2-CD2 3.89Å
721	C	68.4	Low	65.6	Low	37 Å²	37	104.2 Å²	104.2	25%	0.25	61%	0.606	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	158.2	177.9	71	0	0	0	0	112.4	L712 V713 D715 D719	L712-C721 CarbonylContact C-O 3.47Å; L712-C721 VanDerWaalsContact CA-O 3.31Å; L712-C721 WeakPolarHBondContact CA-O 3.48Å; V713-C721 PolarHBondContact N-O 2.84Å; V713-C721 PolarHBondContact O-N 2.96Å; D715-C721 HydrophobicContact CB-CB 4.44Å; D715-C721 PolarHBondContact OD2-SG 3.01Å; D719-C721 PolarHBondContact O-N 2.88Å
722	P	78.1	Confident	65	Low	76 Å²	76	107 Å²	107	49%	0.494	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.3	131.1	179.6	-17.4	31.8	0	0	0	112.3	Y724	P722-Y724 PolarHBondContact O-N 3Å
723	A	64.3	Low	64.2	Low	34 Å²	34	104.6 Å²	104.6	28%	0.281	63%	0.634	S	S	.	*	S	Bend	trans	-55.8	-20.3	179.3	0	0	0	0	0	114.9	S711 V713	S711-A723 WeakPolarHBondContact O-CB 3.02Å; S711-A723 PolarHBondContact O-N 2.91Å; S711-A723 VanDerWaalsContact OG-CB 3.28Å; S711-A723 WeakPolarHBondContact OG-CB 3.5Å; V713-A723 HydrophobicContact CG2-CB 3.69Å
724	Y	58.9	Low	63.4	Low	184 Å²	184	107.1 Å²	107.1	72%	0.722	65%	0.651	S	S	*	*			trans	-132.6	97.5	179.6	-56.3	-69.6	0	0	0	110	P722	P722-Y724 PolarHBondContact O-N 3Å
725	S	54.2	Low	62.3	Low	110 Å²	110	106 Å²	106	77%	0.769	65%	0.646	S	S	*	*			trans	-87.1	123.6	168.6	-171.2	0	0	0	0	110	S727	S725-S727 PolarHBondContact O-N 2.81Å
726	L	49.8	Very low	61.9	Low	174 Å²	174	106.4 Å²	106.4	91%	0.911	65%	0.652	S	S	*	*			trans	-83.6	90.2	175.6	-71.5	176.8	0	0	0	110
727	S	48.9	Very low	61.2	Low	107 Å²	107	107.9 Å²	107.9	75%	0.748	66%	0.659	S	S	*	*			trans	-63.3	139	169.6	52	0	0	0	0	111.3	S725	S725-S727 PolarHBondContact O-N 2.81Å
728	S	44.8	Very low	60.2	Low	86 Å²	86	106.2 Å²	106.2	60%	0.601	66%	0.658	S	S	*	*			trans	-71.4	133.8	173.2	164	0	0	0	0	110.2	R730	S728-R730 CarbonylContact C-O 3.59Å; S728-R730 VanDerWaalsContact CB-O 3.26Å; S728-R730 WeakPolarHBondContact CB-O 3.38Å; S728-R730 CarbonylContact O-C 3.27Å; S728-R730 PolarHBondContact O-N 3.2Å; S728-R730 VanDerWaalsContact O-O 3.09Å; S728-R730 PolarHBondContact OG-N 3.29Å; S728-R730 VanDerWaalsContact OG-N 3.14Å; S728-R730 PolarHBondContact OG-O 3.36Å
729	L	52.5	Low	58.7	Low	187 Å²	187	109.9 Å²	109.9	98%	0.979	66%	0.661	S	S	*	*	S	Bend	trans	-65.4	-19	173	-73.2	167.3	0	0	0	113
730	R	52.7	Low	57.5	Low	216 Å²	216	109 Å²	109	82%	0.815	66%	0.66	S	S	*	*	S	Bend	trans	-84.5	114.9	159.6	-173.4	179	-62	-146.3	-1.6	106.5	S728	S728-R730 CarbonylContact C-O 3.59Å; S728-R730 VanDerWaalsContact CB-O 3.26Å; S728-R730 WeakPolarHBondContact CB-O 3.38Å; S728-R730 CarbonylContact O-C 3.27Å; S728-R730 PolarHBondContact O-N 3.2Å; S728-R730 VanDerWaalsContact O-O 3.09Å; S728-R730 PolarHBondContact OG-N 3.29Å; S728-R730 VanDerWaalsContact OG-N 3.14Å; S728-R730 PolarHBondContact OG-O 3.36Å
731	G	53.1	Low	56.5	Low	58 Å²	58	107.7 Å²	107.7	60%	0.598	66%	0.657	S	S	*	*			trans	-64.7	-153.1	-162	0	0	0	0	0	117.2	G733	G731-G733 PolarHBondContact O-N 3.19Å
732	A	55.2	Low	55.9	Low	121 Å²	121	114 Å²	114	100%	1	68%	0.676	S	S	*	*	S	Bend	trans	-69.6	34.9	-162.1	0	0	0	0	0	117.6
733	G	57.8	Low	54.8	Low	54 Å²	54	120 Å²	120	56%	0.557	69%	0.689	S	S	*	*	S	Bend	trans	-95.1	162.1	164.7	0	0	0	0	0	112.2	G731	G731-G733 PolarHBondContact O-N 3.19Å
734	P	59.4	Low	53.9	Low	126 Å²	126	127.8 Å²	127.8	82%	0.818	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-62.8	149.8	174.7	27.2	-34.5	0	0	0	111.7
735	P	58.4	Low	53.3	Low	76 Å²	76	125.5 Å²	125.5	49%	0.494	71%	0.707	S	S	.	*	P	Polyproline II helix	trans	-64.7	154.6	176.9	29	-35.8	0	0	0	111.4	V741	P735-V741 HydrophobicContact CG-CG2 3.44Å; P735-V741 VanDerWaalsContact CG-CG2 3.44Å
736	P	61.5	Low	52.4	Low	77 Å²	77	125.8 Å²	125.8	50%	0.5	71%	0.706	S	S	.	*	P	Polyproline II helix	trans	-61.4	145.2	-177.6	25.3	-34.7	0	0	0	112	S738 H739	P736-S738 PolarHBondContact O-N 3.1Å; P736-H739 PolarHBondContact O-N 3.04Å
737	P	59.3	Low	53.1	Low	140 Å²	140	122 Å²	122	91%	0.909	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-2	-170.4	26.8	-36.2	0	0	0	115.1	H739	P737-H739 VanDerWaalsContact C-N 3.3Å
738	S	54.3	Low	53.6	Low	98 Å²	98	118.8 Å²	118.8	69%	0.685	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-10.7	170.6	53.4	0	0	0	0	114	P736	P736-S738 PolarHBondContact O-N 3.1Å
739	H	49.8	Very low	53.9	Low	129 Å²	129	123.2 Å²	123.2	60%	0.597	70%	0.704	S	S	*	*	S	Bend	trans	-104.6	121.3	176.1	-83.1	-101.1	0	0	0	111.5	P736 P737 V741	P736-H739 PolarHBondContact O-N 3.04Å; P737-H739 VanDerWaalsContact C-N 3.3Å; H739-V741 PolarHBondContact O-N 2.89Å; H739-V741 VanDerWaalsContact O-N 3.1Å
740	P	50.9	Low	53.7	Low	84 Å²	84	119.6 Å²	119.6	55%	0.545	69%	0.685	S	S	.	*			trans	-70.6	108.2	174	28.4	-32.9	0	0	0	109.8	W742	P740-W742 VanDerWaalsContact O-CD1 3.28Å; P740-W742 PolarHBondContact O-N 2.66Å
741	V	55	Low	53.6	Low	88 Å²	88	115.8 Å²	115.8	53%	0.533	68%	0.68	S	S	.	*			trans	-81.7	104.3	174.1	-177.2	0	0	0	0	108.9	P735 H739 R743	P735-V741 HydrophobicContact CG-CG2 3.44Å; P735-V741 VanDerWaalsContact CG-CG2 3.44Å; H739-V741 PolarHBondContact O-N 2.89Å; H739-V741 VanDerWaalsContact O-N 3.1Å; V741-R743 HydrophobicContact CG1-CG 4.41Å; V741-R743 PolarHBondContact O-N 3.27Å
742	W	54.1	Low	53.2	Low	169 Å²	169	117.5 Å²	117.5	64%	0.64	68%	0.68	S	S	*	*			trans	-78.8	100.1	174.9	-68.1	74.7	0	0	0	109.4	P740 I750	P740-W742 VanDerWaalsContact O-CD1 3.28Å; P740-W742 PolarHBondContact O-N 2.66Å; W742-I750 HydrophobicContact CE3-CG2 3.76Å; W742-I750 HydrophobicContact CZ3-CG2 3.92Å
743	R	56.5	Low	52.9	Low	201 Å²	201	115.2 Å²	115.2	76%	0.758	66%	0.655	S	S	*	*			trans	-78.7	130.7	168.3	-62.8	-178.1	70.2	-160.8	0.5	108.5	V741	V741-R743 HydrophobicContact CG1-CG 4.41Å; V741-R743 PolarHBondContact O-N 3.27Å
744	W	45.1	Very low	52.4	Low	199 Å²	199	118.6 Å²	118.6	75%	0.754	67%	0.667	S	S	*	*			trans	-135.1	149.2	173.2	63.9	-74.3	0	0	0	108.5
745	Q	45.9	Very low	51.6	Low	135 Å²	135	120.8 Å²	120.8	63%	0.631	67%	0.671	S	S	*	*			trans	-141.3	143.7	176.7	-69.3	179.9	-61.9	0	0	107.8	G747 G748	Q745-G747 PolarHBondContact O-N 2.81Å; Q745-G748 PolarHBondContact O-N 3.47Å
746	P	36.1	Very low	51	Low	117 Å²	117	125.5 Å²	125.5	76%	0.76	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	130.9	172.8	-25.5	35.3	0	0	0	111.1	G748	P746-G748 PolarHBondContact O-N 3.14Å; P746-G748 VanDerWaalsContact O-N 3.16Å
747	G	63.7	Low	50.1	Low	94 Å²	94	127.5 Å²	127.5	97%	0.969	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.7	-10.4	-175.3	0	0	0	0	0	116.2	Q745	Q745-G747 PolarHBondContact O-N 2.81Å
748	G	59.2	Low	49.2	Very low	39 Å²	39	129.2 Å²	129.2	40%	0.402	69%	0.693	S	S	.	*			trans	-83.2	144.8	179.8	0	0	0	0	0	113.8	Q745 P746	Q745-G748 PolarHBondContact O-N 3.47Å; P746-G748 PolarHBondContact O-N 3.14Å; P746-G748 VanDerWaalsContact O-N 3.16Å
749	Q	50.5	Low	48.7	Very low	180 Å²	180	136 Å²	136	84%	0.841	70%	0.703	S	S	*	*			trans	-73.8	133	172.9	-59.8	-173.1	32.2	0	0	110.8	L751	Q749-L751 PolarHBondContact O-N 3.05Å
750	I	49.3	Very low	48.2	Very low	111 Å²	111	136 Å²	136	57%	0.569	71%	0.713	S	S	*	*			trans	-79.5	89	-178.7	-54.3	175.8	0	0	0	109.6	W742	W742-I750 HydrophobicContact CE3-CG2 3.76Å; W742-I750 HydrophobicContact CZ3-CG2 3.92Å
751	L	50	Low	47.6	Very low	136 Å²	136	142.2 Å²	142.2	71%	0.712	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-77.8	131.6	176.2	-70.2	170.8	0	0	0	111.4	Q749	Q749-L751 PolarHBondContact O-N 3.05Å
752	P	44.7	Very low	46.8	Very low	93 Å²	93	147.3 Å²	147.3	60%	0.604	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-68.9	151.1	169.3	30.6	-34.1	0	0	0	110.6
753	P	49.3	Very low	46.1	Very low	73 Å²	73	152.4 Å²	152.4	47%	0.474	76%	0.762	S	S	.	*	P	Polyproline II helix	trans	-64.5	142	179.9	26.6	-34.4	0	0	0	111.5
754	P	47.6	Very low	45.6	Very low	125 Å²	125	150 Å²	150	81%	0.812	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-67.5	136.4	-176.1	27.2	-34.8	0	0	0	112.1	H756	P754-H756 PolarHBondContact O-N 3.11Å
755	L	42.1	Very low	45.6	Very low	172 Å²	172	147.4 Å²	147.4	90%	0.901	76%	0.762	S	S	*	*			trans	-75.2	90.8	175.8	-71.7	169.8	0	0	0	110.4	T757	L755-T757 PolarHBondContact O-N 3.23Å
756	H	46.5	Very low	45.6	Very low	176 Å²	176	148.1 Å²	148.1	82%	0.815	77%	0.769	S	S	*	*			trans	-67.3	130.3	171.6	-164.8	88.7	0	0	0	110.6	P754 Q758	P754-H756 PolarHBondContact O-N 3.11Å; H756-Q758 PolarHBondContact O-N 3.07Å
757	T	42.3	Very low	46.1	Very low	119 Å²	119	149.9 Å²	149.9	73%	0.73	77%	0.77	S	S	*	*			trans	-75.9	106	-168.9	41.1	0	0	0	0	112.6	L755 R759	L755-T757 PolarHBondContact O-N 3.23Å; T757-R759 PolarHBondContact O-N 2.73Å
758	Q	40	Very low	45	Very low	176 Å²	176	153.4 Å²	153.4	82%	0.822	76%	0.758	S	S	*	*			trans	-69.5	100.8	168.9	-80.5	-74	-8.2	0	0	110.4	H756 T760	H756-Q758 PolarHBondContact O-N 3.07Å; Q758-T760 PolarHBondContact O-N 3.06Å; Q758-T760 VanDerWaalsContact O-N 3.11Å
759	R	44	Very low	44.1	Very low	239 Å²	239	161 Å²	161	90%	0.902	78%	0.781	S	S	*	*			trans	-74.4	92.6	-179	-172.5	-177.5	-173.3	-173.7	3.4	110.5	T757 R761	T757-R759 PolarHBondContact O-N 2.73Å; R759-R761 PolarHBondContact O-N 2.66Å
760	T	38.5	Very low	43.6	Very low	131 Å²	131	159.6 Å²	159.6	80%	0.804	78%	0.777	S	S	*	*			trans	-64	106.2	-179.9	51.9	0	0	0	0	111.8	Q758	Q758-T760 PolarHBondContact O-N 3.06Å; Q758-T760 VanDerWaalsContact O-N 3.11Å
761	R	38.9	Very low	43.2	Very low	214 Å²	214	163.4 Å²	163.4	81%	0.808	79%	0.793	S	S	*	*			trans	-71.7	124.7	168.7	-164.1	178.7	-167.5	178.6	4	108.3	R759	R759-R761 PolarHBondContact O-N 2.66Å
762	K	39.4	Very low	42.6	Very low	194 Å²	194	165.7 Å²	165.7	84%	0.843	80%	0.8	S	S	*	*			trans	-73	137.7	175.3	-65.5	-175.3	179.1	-176.2	0	110.5
763	Y	38.4	Very low	42.4	Very low	276 Å²	276	172.3 Å²	172.3	100%	1.082	82%	0.817	S	S	*	*			trans	-137.8	0	146.8	-83.3	-77.9	0	0	0	106.1

Retrieved 763 of 763 residues in 383 ms (Link to these results)

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