A0A077Z317_TRITR Loading...

Utp12 and WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z317, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 648 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	79.3	Confident	190 Å²	190	43.3 Å²	43.3	94%	0.936	26%	0.259	S	S	*	.				0	134.4	0	-76.7	-172.9	-167.1	0	0	107.4
2	T	66.6	Low	80.1	Confident	67 Å²	67	39.8 Å²	39.8	41%	0.411	24%	0.238	S	C	.	.			trans	-92.4	104.5	168.4	44.7	0	0	0	0	108	L13 V14	T2-L13 HydrophobicContact CG2-CD1 4.39Å; T2-V14 WeakPolarHBondContact CA-O 3.44Å
3	A	80.7	Confident	80.6	Confident	16 Å²	16	36.9 Å²	36.9	13%	0.132	22%	0.221	C	C	.	.			trans	-78.3	139.7	172.4	0	0	0	0	0	109.3	V14 I46	A3-V14 HydrophobicContact CB-CB 4.31Å; A3-V14 PolarHBondContact N-O 3.27Å; A3-V14 PolarHBondContact O-N 3.15Å; A3-I46 HydrophobicContact CB-CG2 3.81Å
4	L	86.2	Confident	81	Confident	35 Å²	35	34.4 Å²	34.4	18%	0.183	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	137.5	-174.6	-173.3	99.2	0	0	0	110.3	F6 L11 A12 L13 A301 L314	L4-F6 HydrophobicContact CD2-CD2 4.09Å; L4-F6 HydrophobicContact CD2-CE2 3.37Å; L4-F6 HydrophobicContact CD2-CZ 3.86Å; L4-F6 HydrophobicContact CG-CE2 4.41Å; L4-L11 HydrophobicContact CD1-CD1 3.42Å; L4-L11 VanDerWaalsContact CD1-CD1 3.42Å; L4-L11 HydrophobicContact CD1-CD2 4.07Å; L4-L11 HydrophobicContact CD1-CG 3.94Å; L4-L11 HydrophobicContact CD2-CD1 3.81Å; L4-L11 HydrophobicContact CG-CD1 3.49Å; L4-L11 VanDerWaalsContact CG-CD1 3.49Å; L4-A12 WeakPolarHBondContact CA-O 3.35Å; L4-L13 HydrophobicContact CB-CD1 4.41Å; L4-L13 HydrophobicContact CD1-CB 3.86Å; L4-L13 HydrophobicContact CD1-CD1 3.52Å; L4-L13 HydrophobicContact CD1-CG 4.25Å; L4-A301 HydrophobicContact CD2-CB 3.2Å; L4-L314 HydrophobicContact CD1-CD1 3.97Å; L4-L314 HydrophobicContact CD2-CD1 3.77Å; L4-L314 HydrophobicContact CG-CD1 4.48Å
5	E	87.9	Confident	80.8	Confident	15 Å²	15	32.5 Å²	32.5	7%	0.07	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.8	169.9	-154.2	-167.8	-135.4	0	0	112.6	A12 I46 T47 W48 R143	E5-A12 PolarHBondContact N-O 3.1Å; E5-A12 PolarHBondContact O-N 3Å; E5-I46 HydrophobicContact CB-CG2 4.27Å; E5-T47 PolarHBondContact OE1-OG1 3.44Å; E5-T47 VanDerWaalsContact OE2-C 3.3Å; E5-T47 WeakPolarHBondContact OE2-CA 3.36Å; E5-T47 PolarHBondContact OE2-OG1 2.92Å; E5-W48 PolarHBondContact O-NE1 3.43Å; E5-W48 VanDerWaalsContact O-NE1 3.08Å; E5-W48 VanDerWaalsContact OE2-CD1 3.27Å; E5-W48 PolarHBondContact OE2-N 3.24Å; E5-R143 IonicContact OE1-CZ 3.94Å; E5-R143 IonicContact OE1-NH1 2.75Å; E5-R143 PolarHBondContact OE1-NH1 3.22Å; E5-R143 VanDerWaalsContact OE1-NH1 3.08Å; E5-R143 IonicContact OE1-NH2 3.22Å; E5-R143 PolarHBondContact OE1-NH2 2.98Å
6	F	85.7	Confident	80.4	Confident	24 Å²	24	38.9 Å²	38.9	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139	174.5	-65.4	-92.9	0	0	0	110.4	L4 L10 L11 T235 A301 H303 L314	L4-F6 HydrophobicContact CD2-CD2 4.09Å; L4-F6 HydrophobicContact CD2-CE2 3.37Å; L4-F6 HydrophobicContact CD2-CZ 3.86Å; L4-F6 HydrophobicContact CG-CE2 4.41Å; F6-L10 WeakPolarHBondContact CA-O 3.43Å; F6-L11 HydrophobicContact CD1-CB 4.28Å; F6-L11 HydrophobicContact CD1-CD1 3.56Å; F6-L11 HydrophobicContact CD1-CG 4.49Å; F6-L11 HydrophobicContact CD2-CD1 4.04Å; F6-L11 HydrophobicContact CE1-CB 4.4Å; F6-L11 HydrophobicContact CE1-CD1 3.49Å; F6-L11 VanDerWaalsContact CE1-CD1 3.49Å; F6-L11 HydrophobicContact CE1-CD2 4.47Å; F6-L11 HydrophobicContact CE1-CG 4.32Å; F6-L11 HydrophobicContact CE2-CD1 3.99Å; F6-L11 HydrophobicContact CG-CD1 3.86Å; F6-L11 HydrophobicContact CZ-CD1 3.74Å; F6-T235 HydrophobicContact CD2-CG2 4.48Å; F6-T235 HydrophobicContact CE2-CG2 4.39Å; F6-A301 HydrophobicContact CE2-CB 4.01Å; F6-A301 HydrophobicContact CZ-CB 4.3Å; F6-H303 HydrophobicContact CB-CB 4.23Å; F6-H303 HydrophobicContact CD1-CB 3.53Å; F6-H303 AromaticContact CD1-CD2 3.94Å; F6-H303 AromaticContact CD1-CG 3.81Å; F6-H303 HydrophobicContact CD2-CB 3.6Å; F6-H303 AromaticContact CD2-CG 3.92Å; F6-H303 HydrophobicContact CE1-CB 3.58Å; F6-H303 HydrophobicContact CE2-CB 3.63Å; F6-H303 HydrophobicContact CG-CB 3.52Å; F6-H303 AromaticContact CG-CD2 3.9Å; F6-H303 AromaticContact CG-CG 3.54Å; F6-H303 HydrophobicContact CZ-CB 3.61Å; F6-L314 HydrophobicContact CE1-CD1 3.86Å; F6-L314 HydrophobicContact CE1-CG 4.38Å; F6-L314 HydrophobicContact CE2-CD1 4.24Å; F6-L314 HydrophobicContact CZ-CD1 3.34Å; F6-L314 HydrophobicContact CZ-CG 4.02Å
7	S	82.3	Confident	80.1	Confident	33 Å²	33	41.3 Å²	41.3	23%	0.231	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	95.5	167.9	-174.6	0	0	0	0	109.3	S9 L10 W48	S7-S9 PolarHBondContact O-N 3.05Å; S7-L10 PolarHBondContact N-O 3.46Å; S7-L10 PolarHBondContact O-N 3.12Å; S7-W48 VanDerWaalsContact CB-CG 3.49Å
8	G	79.2	Confident	80.3	Confident	36 Å²	36	39.1 Å²	39.1	37%	0.371	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-116.2	-174.3	0	0	0	0	0	112	L305	G8-L305 VanDerWaalsContact C-CD1 3.47Å; G8-L305 VanDerWaalsContact CA-CD1 3.49Å; G8-L305 WeakPolarHBondContact O-CD1 3.33Å
9	S	81	Confident	80.7	Confident	51 Å²	51	37 Å²	37	36%	0.357	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.8	175.9	73	0	0	0	0	113.8	S7 C24	S7-S9 PolarHBondContact O-N 3.05Å; S9-C24 WeakPolarHBondContact O-CB 3.38Å; S9-C24 PolarHBondContact O-N 3.43Å
10	L	87	Confident	81	Confident	8 Å²	8	35.9 Å²	35.9	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	147.5	-178.8	-66.2	171.3	0	0	0	110.4	F6 S7 D23 I30 W48 K63 P64	F6-L10 WeakPolarHBondContact CA-O 3.43Å; S7-L10 PolarHBondContact N-O 3.46Å; S7-L10 PolarHBondContact O-N 3.12Å; L10-D23 HydrophobicContact CD2-CB 4.37Å; L10-I30 HydrophobicContact CD2-CD1 3.48Å; L10-I30 VanDerWaalsContact CD2-CD1 3.48Å; L10-W48 HydrophobicContact CB-CH2 4.1Å; L10-W48 HydrophobicContact CB-CZ2 3.94Å; L10-W48 HydrophobicContact CD1-CH2 4.3Å; L10-K63 HydrophobicContact CD1-CB 4.32Å; L10-K63 HydrophobicContact CD1-CD 4.5Å; L10-P64 HydrophobicContact CD1-CG 3.8Å
11	L	88.2	Confident	81.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.9	178.4	174.6	66.9	0	0	0	109.1	L4 F6 G21 Y22 L314	L4-L11 HydrophobicContact CD1-CD1 3.42Å; L4-L11 VanDerWaalsContact CD1-CD1 3.42Å; L4-L11 HydrophobicContact CD1-CD2 4.07Å; L4-L11 HydrophobicContact CD1-CG 3.94Å; L4-L11 HydrophobicContact CD2-CD1 3.81Å; L4-L11 HydrophobicContact CG-CD1 3.49Å; L4-L11 VanDerWaalsContact CG-CD1 3.49Å; F6-L11 HydrophobicContact CD1-CB 4.28Å; F6-L11 HydrophobicContact CD1-CD1 3.56Å; F6-L11 HydrophobicContact CD1-CG 4.49Å; F6-L11 HydrophobicContact CD2-CD1 4.04Å; F6-L11 HydrophobicContact CE1-CB 4.4Å; F6-L11 HydrophobicContact CE1-CD1 3.49Å; F6-L11 VanDerWaalsContact CE1-CD1 3.49Å; F6-L11 HydrophobicContact CE1-CD2 4.47Å; F6-L11 HydrophobicContact CE1-CG 4.32Å; F6-L11 HydrophobicContact CE2-CD1 3.99Å; F6-L11 HydrophobicContact CG-CD1 3.86Å; F6-L11 HydrophobicContact CZ-CD1 3.74Å; L11-G21 CarbonylContact O-C 3.56Å; L11-G21 VanDerWaalsContact O-CA 3.24Å; L11-G21 WeakPolarHBondContact O-CA 3.49Å; L11-Y22 HydrophobicContact CD2-CD2 3.89Å; L11-Y22 HydrophobicContact CD2-CG 4.35Å; L11-Y22 HydrophobicContact CG-CD2 4.44Å; L11-Y22 PolarHBondContact N-O 3.12Å; L11-Y22 PolarHBondContact O-N 2.79Å; L11-L314 HydrophobicContact CD1-CD1 3.9Å; L11-L314 HydrophobicContact CD2-CD1 3.27Å; L11-L314 HydrophobicContact CD2-CD2 3.59Å; L11-L314 HydrophobicContact CD2-CG 4.06Å; L11-L314 HydrophobicContact CG-CD1 4.15Å
12	A	88.3	Confident	83.1	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.5	165.5	0	0	0	0	0	110.5	L4 E5 R20 I46 W48 V67	L4-A12 WeakPolarHBondContact CA-O 3.35Å; E5-A12 PolarHBondContact N-O 3.1Å; E5-A12 PolarHBondContact O-N 3Å; A12-R20 CarbonylContact C-O 3.55Å; A12-R20 WeakPolarHBondContact CA-O 3.25Å; A12-I46 HydrophobicContact CB-CD1 3.44Å; A12-I46 VanDerWaalsContact CB-CD1 3.44Å; A12-I46 HydrophobicContact CB-CG1 4.35Å; A12-W48 HydrophobicContact CB-CZ2 3.58Å; A12-V67 HydrophobicContact CB-CG1 4.4Å; A12-V67 HydrophobicContact CB-CG2 4.39Å
13	L	87.4	Confident	84	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.5	-178.2	175.3	70.3	0	0	0	108.9	T2 L4 I19 R20 Y22 L321	T2-L13 HydrophobicContact CG2-CD1 4.39Å; L4-L13 HydrophobicContact CB-CD1 4.41Å; L4-L13 HydrophobicContact CD1-CB 3.86Å; L4-L13 HydrophobicContact CD1-CD1 3.52Å; L4-L13 HydrophobicContact CD1-CG 4.25Å; L13-I19 CarbonylContact O-C 3.55Å; L13-I19 WeakPolarHBondContact O-CA 3.48Å; L13-R20 PolarHBondContact N-O 3.07Å; L13-R20 PolarHBondContact O-N 2.95Å; L13-Y22 HydrophobicContact CB-CE2 4.35Å; L13-Y22 HydrophobicContact CD2-CE2 4.34Å; L13-L321 HydrophobicContact CD2-CD1 3.49Å; L13-L321 VanDerWaalsContact CD2-CD1 3.49Å; L13-L321 HydrophobicContact CD2-CD2 3.85Å; L13-L321 HydrophobicContact CD2-CG 4.37Å
14	V	85.5	Confident	84.1	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.4	170.1	175.5	0	0	0	0	108.7	T2 A3 I19 M43 I46 V69	T2-V14 WeakPolarHBondContact CA-O 3.44Å; A3-V14 HydrophobicContact CB-CB 4.31Å; A3-V14 PolarHBondContact N-O 3.27Å; A3-V14 PolarHBondContact O-N 3.15Å; V14-I19 HydrophobicContact CG2-CG1 4.45Å; V14-I19 HydrophobicContact CG2-CG2 4.45Å; V14-M43 HydrophobicContact CG1-CB 3.2Å; V14-M43 HydrophobicContact CG1-CE 3.71Å; V14-M43 HydrophobicContact CG1-CG 4.09Å; V14-M43 HydrophobicContact CG1-SD 3.81Å; V14-I46 HydrophobicContact CG2-CB 3.71Å; V14-I46 HydrophobicContact CG2-CD1 3.45Å; V14-I46 VanDerWaalsContact CG2-CD1 3.45Å; V14-I46 HydrophobicContact CG2-CG1 4.11Å; V14-I46 HydrophobicContact CG2-CG2 4.14Å; V14-V69 HydrophobicContact CG2-CG1 4.06Å; V14-V69 HydrophobicContact CG2-CG2 4.03Å
15	G	78.5	Confident	83.9	Confident	7 Å²	7	24.8 Å²	24.8	7%	0.072	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	-175.7	172.4	0	0	0	0	0	111.8	D17 G18 M43	G15-D17 PolarHBondContact O-N 2.93Å; G15-G18 PolarHBondContact N-O 3.11Å; G15-G18 PolarHBondContact O-N 3.02Å; G15-M43 WeakPolarHBondContact O-CE 3.18Å
16	H	73.6	Confident	83.5	Confident	134 Å²	134	28.5 Å²	28.5	62%	0.62	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	176.3	-71.3	-73.3	0	0	0	113.1	G18 N38	H16-G18 VanDerWaalsContact C-N 3.27Å; H16-G18 PolarHBondContact O-N 3.37Å; H16-N38 PolarHBondContact O-ND2 2.88Å; H16-N38 PolarHBondContact O-OD1 3.42Å
17	D	76	Confident	83.3	Confident	80 Å²	80	34.2 Å²	34.2	43%	0.428	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.4	178.4	-56.6	-28.7	0	0	0	112.9	G15 R20 H32 V34	G15-D17 PolarHBondContact O-N 2.93Å; D17-R20 IonicContact OD2-NH1 3.1Å; D17-R20 PolarHBondContact OD2-NH1 3.06Å; D17-H32 PolarHBondContact O-CE1 3.3Å; D17-V34 VanDerWaalsContact O-CG2 3.29Å; D17-V34 WeakPolarHBondContact O-CG2 3.38Å
18	G	83.4	Confident	83.3	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.3	-159.7	-175.1	0	0	0	0	0	113.6	G15 H16 N38	G15-G18 PolarHBondContact N-O 3.11Å; G15-G18 PolarHBondContact O-N 3.02Å; H16-G18 VanDerWaalsContact C-N 3.27Å; H16-G18 PolarHBondContact O-N 3.37Å; G18-N38 PolarHBondContact N-ND2 3.01Å
19	I	87.2	Confident	83.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.6	-178.5	-47.6	166.3	0	0	0	108.3	L13 V14 F31 H32 Y33 P35 M43 I46 V69 V79	L13-I19 CarbonylContact O-C 3.55Å; L13-I19 WeakPolarHBondContact O-CA 3.48Å; V14-I19 HydrophobicContact CG2-CG1 4.45Å; V14-I19 HydrophobicContact CG2-CG2 4.45Å; I19-F31 HydrophobicContact CB-CE1 4.09Å; I19-F31 HydrophobicContact CB-CZ 4.39Å; I19-F31 HydrophobicContact CG2-CE1 3.73Å; I19-F31 HydrophobicContact CG2-CZ 4.38Å; I19-H32 CarbonylContact O-C 3.52Å; I19-H32 WeakPolarHBondContact O-CA 3.47Å; I19-Y33 HydrophobicContact CD1-CD1 4.28Å; I19-Y33 PolarHBondContact N-O 3.05Å; I19-Y33 PolarHBondContact O-N 2.83Å; I19-P35 HydrophobicContact CD1-CG 4.28Å; I19-M43 HydrophobicContact CD1-SD 4.3Å; I19-M43 HydrophobicContact CG1-SD 3.75Å; I19-I46 HydrophobicContact CG2-CD1 4.14Å; I19-V69 HydrophobicContact CD1-CB 4.08Å; I19-V69 HydrophobicContact CD1-CG1 4.33Å; I19-V69 HydrophobicContact CD1-CG2 3.56Å; I19-V69 HydrophobicContact CG1-CG2 4.09Å; I19-V69 HydrophobicContact CG2-CG2 4.39Å; I19-V79 HydrophobicContact CD1-CG2 3.99Å
20	R	86.5	Confident	83.5	Confident	14 Å²	14	42 Å²	42	5%	0.053	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.7	176	-70.5	-172.7	-64.3	-122.4	-9.5	111	A12 L13 D17 Y22 E29 F31 H32 S318	A12-R20 CarbonylContact C-O 3.55Å; A12-R20 WeakPolarHBondContact CA-O 3.25Å; L13-R20 PolarHBondContact N-O 3.07Å; L13-R20 PolarHBondContact O-N 2.95Å; D17-R20 IonicContact OD2-NH1 3.1Å; D17-R20 PolarHBondContact OD2-NH1 3.06Å; R20-Y22 HydrophobicContact CB-CE2 3.7Å; R20-Y22 WeakPolarHBondContact CD-OH 3.11Å; R20-Y22 PolarHBondContact NE-OH 3.44Å; R20-Y22 VanDerWaalsContact NE-OH 3.1Å; R20-E29 WeakPolarHBondContact CD-OE1 3.46Å; R20-E29 VanDerWaalsContact CG-OE1 3.28Å; R20-E29 WeakPolarHBondContact CG-OE1 3.34Å; R20-F31 CarbonylContact C-O 3.54Å; R20-F31 VanDerWaalsContact CA-O 3.31Å; R20-F31 WeakPolarHBondContact CA-O 3.44Å; R20-H32 HydrophobicContact CG-CB 4.48Å; R20-H32 VanDerWaalsContact CG-ND1 3.27Å; R20-H32 WeakPolarHBondContact CG-ND1 3.43Å; R20-S318 PolarHBondContact NH2-O 3.36Å
21	G	87.7	Confident	83.3	Confident	2 Å²	2	41.8 Å²	41.8	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.2	177.3	0	0	0	0	0	110.3	L11 I30 F31	L11-G21 CarbonylContact O-C 3.56Å; L11-G21 VanDerWaalsContact O-CA 3.24Å; L11-G21 WeakPolarHBondContact O-CA 3.49Å; G21-I30 PolarHBondContact O-N 2.86Å; G21-F31 PolarHBondContact N-O 3.44Å; G21-F31 PolarHBondContact O-N 3.44Å
22	Y	86.1	Confident	83.2	Confident	19 Å²	19	46 Å²	46	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.2	-179.8	-58.1	-93.5	0	0	0	111.4	L11 L13 R20 R28 E29 I323	L11-Y22 HydrophobicContact CD2-CD2 3.89Å; L11-Y22 HydrophobicContact CD2-CG 4.35Å; L11-Y22 HydrophobicContact CG-CD2 4.44Å; L11-Y22 PolarHBondContact N-O 3.12Å; L11-Y22 PolarHBondContact O-N 2.79Å; L13-Y22 HydrophobicContact CB-CE2 4.35Å; L13-Y22 HydrophobicContact CD2-CE2 4.34Å; R20-Y22 HydrophobicContact CB-CE2 3.7Å; R20-Y22 WeakPolarHBondContact CD-OH 3.11Å; R20-Y22 PolarHBondContact NE-OH 3.44Å; R20-Y22 VanDerWaalsContact NE-OH 3.1Å; Y22-R28 WeakPolarHBondContact CA-O 3.34Å; Y22-E29 HydrophobicContact CD1-CB 3.87Å; Y22-E29 HydrophobicContact CD1-CG 4.35Å; Y22-E29 HydrophobicContact CE1-CB 3.73Å; Y22-E29 HydrophobicContact CE1-CG 4.03Å; Y22-I323 HydrophobicContact CD1-CD1 4.07Å; Y22-I323 HydrophobicContact CG-CD1 4.02Å
23	D	85.5	Confident	83.1	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.4	162.7	-154.1	-41.1	0	0	0	107.8	L10 A25 E26 R27 R28 I30 K63	L10-D23 HydrophobicContact CD2-CB 4.37Å; D23-A25 PolarHBondContact O-N 3.02Å; D23-A25 WeakPolarHBondContact OD1-CB 3.28Å; D23-A25 PolarHBondContact OD1-N 3.19Å; D23-A25 VanDerWaalsContact OD1-N 3.12Å; D23-E26 HydrophobicContact CB-CB 4.17Å; D23-E26 PolarHBondContact O-N 3.49Å; D23-R27 WeakPolarHBondContact O-CA 3.32Å; D23-R27 PolarHBondContact O-N 3.33Å; D23-R28 PolarHBondContact N-O 3.46Å; D23-R28 PolarHBondContact O-N 3.23Å; D23-I30 HydrophobicContact CB-CD1 3.48Å; D23-I30 VanDerWaalsContact CB-CD1 3.48Å; D23-I30 HydrophobicContact CB-CG1 3.95Å; D23-K63 IonicContact OD2-NZ 3.13Å; D23-K63 PolarHBondContact OD2-NZ 3.16Å; D23-K63 VanDerWaalsContact OD2-NZ 3.16Å
24	C	83.5	Confident	83	Confident	9 Å²	9	51.5 Å²	51.5	6%	0.061	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.8	179	-65.2	0	0	0	0	112	S9 T312 I323	S9-C24 WeakPolarHBondContact O-CB 3.38Å; S9-C24 PolarHBondContact O-N 3.43Å; C24-T312 HydrophobicContact CB-CG2 3.78Å; C24-I323 HydrophobicContact CB-CG2 4.38Å
25	A	81.1	Confident	82.5	Confident	77 Å²	77	51.7 Å²	51.7	64%	0.636	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-41.3	179.2	0	0	0	0	0	111.5	D23	D23-A25 PolarHBondContact O-N 3.02Å; D23-A25 WeakPolarHBondContact OD1-CB 3.28Å; D23-A25 PolarHBondContact OD1-N 3.19Å; D23-A25 VanDerWaalsContact OD1-N 3.12Å
26	E	79.5	Confident	82.4	Confident	94 Å²	94	59.2 Å²	59.2	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-5.1	-178.7	-61.1	173	142.8	0	0	112.9	D23 R28	D23-E26 HydrophobicContact CB-CB 4.17Å; D23-E26 PolarHBondContact O-N 3.49Å; E26-R28 HydrophobicContact CB-CG 3.87Å; E26-R28 PolarHBondContact O-N 3.24Å; E26-R28 IonicContact OE1-CZ 3.74Å; E26-R28 IonicContact OE1-NH2 3.73Å; E26-R28 PolarHBondContact OE1-NH2 2.89Å; E26-R28 IonicContact OE2-CZ 2.69Å; E26-R28 IonicContact OE2-NE 2.76Å; E26-R28 PolarHBondContact OE2-NE 3.04Å; E26-R28 IonicContact OE2-NH2 3.49Å; E26-R28 PolarHBondContact OE2-NH2 3.46Å
27	R	81.6	Confident	82.1	Confident	143 Å²	143	53.8 Å²	53.8	54%	0.54	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	35.7	-178.3	-55.9	177.6	-179	-176.1	1.1	113.1	D23 I323	D23-R27 WeakPolarHBondContact O-CA 3.32Å; D23-R27 PolarHBondContact O-N 3.33Å; R27-I323 HydrophobicContact CB-CB 4.29Å; R27-I323 VanDerWaalsContact CD-O 3.29Å; R27-I323 WeakPolarHBondContact CD-O 3.4Å; R27-I323 HydrophobicContact CG-CB 4.21Å; R27-I323 HydrophobicContact CG-CG2 4.4Å
28	R	82	Confident	81.6	Confident	138 Å²	138	51 Å²	51	52%	0.521	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152	-176.8	72.1	177.6	175.6	179.3	-7.5	111.7	Y22 D23 E26	Y22-R28 WeakPolarHBondContact CA-O 3.34Å; D23-R28 PolarHBondContact N-O 3.46Å; D23-R28 PolarHBondContact O-N 3.23Å; E26-R28 HydrophobicContact CB-CG 3.87Å; E26-R28 PolarHBondContact O-N 3.24Å; E26-R28 IonicContact OE1-CZ 3.74Å; E26-R28 IonicContact OE1-NH2 3.73Å; E26-R28 PolarHBondContact OE1-NH2 2.89Å; E26-R28 IonicContact OE2-CZ 2.69Å; E26-R28 IonicContact OE2-NE 2.76Å; E26-R28 PolarHBondContact OE2-NE 3.04Å; E26-R28 IonicContact OE2-NH2 3.49Å; E26-R28 PolarHBondContact OE2-NH2 3.46Å
29	E	81.5	Confident	80.6	Confident	91 Å²	91	59.5 Å²	59.5	43%	0.425	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.1	166.7	-170.9	170.4	-176.8	0	0	109.4	R20 Y22 H32	R20-E29 WeakPolarHBondContact CD-OE1 3.46Å; R20-E29 VanDerWaalsContact CG-OE1 3.28Å; R20-E29 WeakPolarHBondContact CG-OE1 3.34Å; Y22-E29 HydrophobicContact CD1-CB 3.87Å; Y22-E29 HydrophobicContact CD1-CG 4.35Å; Y22-E29 HydrophobicContact CE1-CB 3.73Å; Y22-E29 HydrophobicContact CE1-CG 4.03Å; E29-H32 WeakPolarHBondContact OE1-CB 3.41Å; E29-H32 IonicContact OE1-CG 2.75Å
30	I	82.7	Confident	79.3	Confident	55 Å²	55	64.4 Å²	64.4	28%	0.282	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-32.2	176.9	-55.4	168.4	0	0	0	110.6	L10 G21 D23 Q84	L10-I30 HydrophobicContact CD2-CD1 3.48Å; L10-I30 VanDerWaalsContact CD2-CD1 3.48Å; G21-I30 PolarHBondContact O-N 2.86Å; D23-I30 HydrophobicContact CB-CD1 3.48Å; D23-I30 VanDerWaalsContact CB-CD1 3.48Å; D23-I30 HydrophobicContact CB-CG1 3.95Å; I30-Q84 PolarHBondContact O-NE2 3.47Å
31	F	83.6	Confident	78.5	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	136.5	-164.8	155.5	-103.5	0	0	0	110.5	I19 R20 G21 Y33 V79 V81 Q84	I19-F31 HydrophobicContact CB-CE1 4.09Å; I19-F31 HydrophobicContact CB-CZ 4.39Å; I19-F31 HydrophobicContact CG2-CE1 3.73Å; I19-F31 HydrophobicContact CG2-CZ 4.38Å; R20-F31 CarbonylContact C-O 3.54Å; R20-F31 VanDerWaalsContact CA-O 3.31Å; R20-F31 WeakPolarHBondContact CA-O 3.44Å; G21-F31 PolarHBondContact N-O 3.44Å; G21-F31 PolarHBondContact O-N 3.44Å; F31-Y33 HydrophobicContact CE2-CG 4.33Å; F31-Y33 HydrophobicContact CZ-CG 4.29Å; F31-V79 HydrophobicContact CE1-CG1 4.49Å; F31-V79 HydrophobicContact CE2-CG1 3.69Å; F31-V79 HydrophobicContact CZ-CB 4.36Å; F31-V79 HydrophobicContact CZ-CG1 3.43Å; F31-V79 VanDerWaalsContact CZ-CG1 3.43Å; F31-V81 HydrophobicContact CB-CG1 3.89Å; F31-V81 HydrophobicContact CD1-CG2 4.22Å; F31-V81 HydrophobicContact CE1-CG2 4.5Å; F31-V81 HydrophobicContact CG-CG1 4.28Å; F31-Q84 HydrophobicContact CB-CG 4.5Å; F31-Q84 HydrophobicContact CD2-CB 3.87Å; F31-Q84 HydrophobicContact CD2-CG 3.92Å; F31-Q84 HydrophobicContact CE2-CB 4.36Å
32	H	86.6	Confident	78.3	Confident	89 Å²	89	68.7 Å²	68.7	41%	0.412	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.7	170	-177.5	52.2	0	0	0	108.5	D17 I19 R20 E29 V34	D17-H32 PolarHBondContact O-CE1 3.3Å; I19-H32 CarbonylContact O-C 3.52Å; I19-H32 WeakPolarHBondContact O-CA 3.47Å; R20-H32 HydrophobicContact CG-CB 4.48Å; R20-H32 VanDerWaalsContact CG-ND1 3.27Å; R20-H32 WeakPolarHBondContact CG-ND1 3.43Å; E29-H32 WeakPolarHBondContact OE1-CB 3.41Å; E29-H32 IonicContact OE1-CG 2.75Å; H32-V34 WeakPolarHBondContact NE2-CG2 3.35Å
33	Y	85.9	Confident	78.3	Confident	47 Å²	47	68.4 Å²	68.4	18%	0.184	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	129.2	175.6	178.1	-98.7	0	0	0	110.3	I19 F31 P35 V79 L86	I19-Y33 HydrophobicContact CD1-CD1 4.28Å; I19-Y33 PolarHBondContact N-O 3.05Å; I19-Y33 PolarHBondContact O-N 2.83Å; F31-Y33 HydrophobicContact CE2-CG 4.33Å; F31-Y33 HydrophobicContact CZ-CG 4.29Å; Y33-P35 HydrophobicContact CD1-CG 4.06Å; Y33-P35 HydrophobicContact CE1-CB 4.14Å; Y33-P35 HydrophobicContact CE1-CG 3.86Å; Y33-P35 WeakPolarHBondContact O-CD 3.34Å; Y33-V79 HydrophobicContact CD1-CG1 4.49Å; Y33-V79 HydrophobicContact CD1-CG2 4.19Å; Y33-V79 HydrophobicContact CE1-CG2 4.34Å; Y33-V79 HydrophobicContact CG-CG1 4.44Å; Y33-L86 HydrophobicContact CE1-CB 4.34Å; Y33-L86 HydrophobicContact CE2-CB 4.3Å; Y33-L86 WeakPolarHBondContact OH-CB 3.29Å
34	V	84.3	Confident	78.4	Confident	73 Å²	73	69.8 Å²	69.8	44%	0.442	36%	0.363	S	S	.	.			trans	-107.9	108.3	177.1	-168.7	0	0	0	0	108.1	D17 H32 N38	D17-V34 VanDerWaalsContact O-CG2 3.29Å; D17-V34 WeakPolarHBondContact O-CG2 3.38Å; H32-V34 WeakPolarHBondContact NE2-CG2 3.35Å; V34-N38 HydrophobicContact CG1-CB 4.19Å
35	P	76.3	Confident	78.6	Confident	5 Å²	5	70 Å²	70	3%	0.032	37%	0.365	C	S	.	.			trans	-60.8	146.3	173.2	-19.9	30.1	0	0	0	111.2	I19 Y33 S37 N38 M43 L77	I19-P35 HydrophobicContact CD1-CG 4.28Å; Y33-P35 HydrophobicContact CD1-CG 4.06Å; Y33-P35 HydrophobicContact CE1-CB 4.14Å; Y33-P35 HydrophobicContact CE1-CG 3.86Å; Y33-P35 WeakPolarHBondContact O-CD 3.34Å; P35-S37 PolarHBondContact O-N 3.5Å; P35-N38 HydrophobicContact CB-CB 4.38Å; P35-N38 WeakPolarHBondContact O-CB 3.32Å; P35-N38 PolarHBondContact O-N 3.17Å; P35-M43 HydrophobicContact CG-SD 3.97Å; P35-L77 HydrophobicContact CB-CD1 3.69Å; P35-L77 HydrophobicContact CG-CD1 3.63Å
36	I	75.6	Confident	79.2	Confident	166 Å²	166	66.9 Å²	66.9	85%	0.851	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-60.7	-34.6	172.8	-59.5	167	0	0	0	110.3	N38	I36-N38 PolarHBondContact O-N 3.33Å
37	S	68	Low	79.8	Confident	20 Å²	20	62.5 Å²	62.5	14%	0.14	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-70.4	-7.7	176.7	54.4	0	0	0	0	114.3	P35 L39 S40 A41	P35-S37 PolarHBondContact O-N 3.5Å; S37-L39 VanDerWaalsContact C-N 3.25Å; S37-L39 PolarHBondContact O-N 3.3Å; S37-S40 PolarHBondContact O-N 3.11Å; S37-S40 PolarHBondContact O-OG 2.86Å; S37-A41 PolarHBondContact O-N 2.8Å
38	N	64.7	Low	80.2	Confident	22 Å²	22	56.1 Å²	56.1	12%	0.118	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-63.5	-28.3	-174.4	-170.5	34.3	0	0	0	113.5	H16 G18 V34 P35 I36 M43	H16-N38 PolarHBondContact O-ND2 2.88Å; H16-N38 PolarHBondContact O-OD1 3.42Å; G18-N38 PolarHBondContact N-ND2 3.01Å; V34-N38 HydrophobicContact CG1-CB 4.19Å; P35-N38 HydrophobicContact CB-CB 4.38Å; P35-N38 WeakPolarHBondContact O-CB 3.32Å; P35-N38 PolarHBondContact O-N 3.17Å; I36-N38 PolarHBondContact O-N 3.33Å; N38-M43 VanDerWaalsContact OD1-CE 3.23Å; N38-M43 WeakPolarHBondContact OD1-CE 3.12Å
39	L	62.5	Low	80.6	Confident	178 Å²	178	51.4 Å²	51.4	93%	0.932	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-76.8	-24.9	173.9	-86.9	127.5	0	0	0	113.2	S37	S37-L39 VanDerWaalsContact C-N 3.25Å; S37-L39 PolarHBondContact O-N 3.3Å
40	S	60.6	Low	80.5	Confident	103 Å²	103	49 Å²	49	72%	0.72	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-27.5	-173.9	57	0	0	0	0	114	S37	S37-S40 PolarHBondContact O-N 3.11Å; S37-S40 PolarHBondContact O-OG 2.86Å
41	A	69.6	Low	79.9	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.033	28%	0.275	C	S	.	.	S	Bend	trans	-134.1	129.4	-173.9	0	0	0	0	0	110.6	S37 M43 C71	S37-A41 PolarHBondContact O-N 2.8Å; A41-M43 PolarHBondContact O-N 2.88Å; A41-C71 HydrophobicContact CB-CB 4.3Å
42	N	82.8	Confident	78.8	Confident	102 Å²	102	55 Å²	55	55%	0.545	30%	0.298	S	S	.	.			trans	-75.8	127	176	-71.3	-28.3	0	0	0	108.8	S72	N42-S72 PolarHBondContact N-OG 2.71Å; N42-S72 VanDerWaalsContact N-OG 3.14Å; N42-S72 WeakPolarHBondContact O-CB 2.91Å; N42-S72 PolarHBondContact O-N 3.01Å; N42-S72 PolarHBondContact O-OG 2.93Å
43	M	87	Confident	77.2	Confident	13 Å²	13	56.5 Å²	56.5	6%	0.064	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.2	170.9	-60.5	176	-75.7	0	0	109.3	V14 G15 I19 P35 N38 A41 V69 G70	V14-M43 HydrophobicContact CG1-CB 3.2Å; V14-M43 HydrophobicContact CG1-CE 3.71Å; V14-M43 HydrophobicContact CG1-CG 4.09Å; V14-M43 HydrophobicContact CG1-SD 3.81Å; G15-M43 WeakPolarHBondContact O-CE 3.18Å; I19-M43 HydrophobicContact CD1-SD 4.3Å; I19-M43 HydrophobicContact CG1-SD 3.75Å; P35-M43 HydrophobicContact CG-SD 3.97Å; N38-M43 VanDerWaalsContact OD1-CE 3.23Å; N38-M43 WeakPolarHBondContact OD1-CE 3.12Å; A41-M43 PolarHBondContact O-N 2.88Å; M43-V69 HydrophobicContact CB-CG1 3.9Å; M43-V69 HydrophobicContact CG-CG1 3.95Å; M43-V69 HydrophobicContact SD-CG1 3.9Å; M43-G70 CarbonylContact C-O 3.5Å; M43-G70 WeakPolarHBondContact CA-O 3.49Å
44	S	86.9	Confident	75.3	Confident	33 Å²	33	58.2 Å²	58.2	23%	0.231	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-40.7	-168	55.7	0	0	0	0	113.4	G70 V98	S44-G70 PolarHBondContact N-O 2.94Å; S44-G70 PolarHBondContact OG-O 2.78Å; S44-V98 VanDerWaalsContact CB-O 3.29Å; S44-V98 WeakPolarHBondContact CB-O 3.36Å; S44-V98 PolarHBondContact OG-O 3.1Å
45	C	89.1	Confident	73.4	Confident	14 Å²	14	66.5 Å²	66.5	10%	0.095	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.7	-170.5	53.8	0	0	0	0	111.5	V69 G70	C45-V69 WeakPolarHBondContact O-CA 3.38Å; C45-G70 PolarHBondContact O-N 3.5Å
46	I	92.7	Very high	71.6	Confident	11 Å²	11	73.9 Å²	73.9	6%	0.056	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	142.3	-177.5	-175.9	160.4	0	0	0	110.7	A3 E5 A12 V14 I19 V67 A68 V69	A3-I46 HydrophobicContact CB-CG2 3.81Å; E5-I46 HydrophobicContact CB-CG2 4.27Å; A12-I46 HydrophobicContact CB-CD1 3.44Å; A12-I46 VanDerWaalsContact CB-CD1 3.44Å; A12-I46 HydrophobicContact CB-CG1 4.35Å; V14-I46 HydrophobicContact CG2-CB 3.71Å; V14-I46 HydrophobicContact CG2-CD1 3.45Å; V14-I46 VanDerWaalsContact CG2-CD1 3.45Å; V14-I46 HydrophobicContact CG2-CG1 4.11Å; V14-I46 HydrophobicContact CG2-CG2 4.14Å; I19-I46 HydrophobicContact CG2-CD1 4.14Å; I46-V67 HydrophobicContact CD1-CG1 3.48Å; I46-V67 VanDerWaalsContact CD1-CG1 3.48Å; I46-V67 HydrophobicContact CG1-CG1 3.55Å; I46-A68 CarbonylContact C-O 3.57Å; I46-A68 WeakPolarHBondContact CA-O 3.4Å; I46-V69 HydrophobicContact CB-CG2 4.3Å; I46-V69 HydrophobicContact CD1-CG2 3.83Å; I46-V69 HydrophobicContact CG1-CG2 3.89Å
47	T	92.1	Very high	70.3	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.012	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.2	170.3	-177.6	0	0	0	0	113.3	E5 V67 A68 I101 W103 L109	E5-T47 PolarHBondContact OE1-OG1 3.44Å; E5-T47 VanDerWaalsContact OE2-C 3.3Å; E5-T47 WeakPolarHBondContact OE2-CA 3.36Å; E5-T47 PolarHBondContact OE2-OG1 2.92Å; T47-V67 CarbonylContact O-C 3.57Å; T47-V67 WeakPolarHBondContact O-CA 3.17Å; T47-A68 HydrophobicContact CG2-CB 4.1Å; T47-A68 PolarHBondContact N-O 3.3Å; T47-A68 PolarHBondContact O-N 2.86Å; T47-I101 HydrophobicContact CG2-CB 4.02Å; T47-I101 HydrophobicContact CG2-CG2 3.52Å; T47-W103 HydrophobicContact CG2-CG 4.45Å; T47-W103 PolarHBondContact O-NE1 2.92Å; T47-L109 HydrophobicContact CG2-CD1 4.4Å
48	W	90.9	Very high	69	Low	10 Å²	10	81.5 Å²	81.5	4%	0.038	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	143.9	173.6	-74.1	97.3	0	0	0	110.9	E5 S7 L10 A12 P64 V67 V81	E5-W48 PolarHBondContact O-NE1 3.43Å; E5-W48 VanDerWaalsContact O-NE1 3.08Å; E5-W48 VanDerWaalsContact OE2-CD1 3.27Å; E5-W48 PolarHBondContact OE2-N 3.24Å; S7-W48 VanDerWaalsContact CB-CG 3.49Å; L10-W48 HydrophobicContact CB-CH2 4.1Å; L10-W48 HydrophobicContact CB-CZ2 3.94Å; L10-W48 HydrophobicContact CD1-CH2 4.3Å; A12-W48 HydrophobicContact CB-CZ2 3.58Å; W48-P64 HydrophobicContact CE3-CB 4.06Å; W48-P64 HydrophobicContact CE3-CG 4.25Å; W48-P64 HydrophobicContact CZ3-CB 4.44Å; W48-P64 HydrophobicContact CZ3-CG 4.43Å; W48-V67 HydrophobicContact CD2-CG2 3.67Å; W48-V67 HydrophobicContact CE3-CG2 3.32Å; W48-V67 HydrophobicContact CG-CG2 4.5Å; W48-V67 HydrophobicContact CH2-CG2 3.77Å; W48-V67 HydrophobicContact CZ2-CG2 4.06Å; W48-V67 HydrophobicContact CZ3-CG2 3.37Å; W48-V81 HydrophobicContact CH2-CB 4.36Å; W48-V81 HydrophobicContact CH2-CG1 4.37Å; W48-V81 HydrophobicContact CH2-CG2 3.66Å; W48-V81 HydrophobicContact CZ3-CB 4.38Å; W48-V81 HydrophobicContact CZ3-CG2 3.71Å
49	Q	88.6	Confident	68	Low	39 Å²	39	85.9 Å²	85.9	18%	0.182	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-65.5	131.1	167.5	-171.7	-172.9	14.9	0	0	110.4	L66 W103 N107	Q49-L66 HydrophobicContact CB-CB 4.04Å; Q49-L66 PolarHBondContact N-O 3.37Å; Q49-W103 HydrophobicContact CB-CD2 4.32Å; Q49-W103 HydrophobicContact CG-CD2 4.32Å; Q49-W103 HydrophobicContact CG-CE3 4.26Å; Q49-W103 HydrophobicContact CG-CZ3 4.48Å; Q49-N107 PolarHBondContact NE2-OD1 3.48Å
50	P	80.7	Confident	67.2	Low	39 Å²	39	88.3 Å²	88.3	25%	0.253	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-67.5	143	176.7	26.7	-34	0	0	0	110.8	W103 S104	P50-W103 HydrophobicContact CG-CB 4.04Å; P50-S104 WeakPolarHBondContact CG-O 3.48Å
51	Q	69.1	Low	66.8	Low	90 Å²	90	93 Å²	93	42%	0.421	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-88.4	118.8	177.5	-173.7	-177.5	-7.6	0	0	110.5	V53 V62	Q51-V53 PolarHBondContact O-N 3.17Å; Q51-V62 PolarHBondContact NE2-O 2.82Å; Q51-V62 PolarHBondContact OE1-O 3.36Å
52	L	60.6	Low	66.2	Low	95 Å²	95	96.9 Å²	96.9	50%	0.497	47%	0.469	S	S	.	.			trans	-73.6	112.1	163.8	-77.1	105.3	0	0	0	109.4	T54	L52-T54 VanDerWaalsContact C-N 3.3Å; L52-T54 PolarHBondContact O-N 3.46Å
53	V	54	Low	65.3	Low	120 Å²	120	97 Å²	97	73%	0.727	47%	0.465	S	S	*	.			trans	-75	88.3	165.2	-177	0	0	0	0	107.6	Q51 R55	Q51-V53 PolarHBondContact O-N 3.17Å; V53-R55 PolarHBondContact O-N 3.37Å
54	T	45.7	Very low	64.4	Low	83 Å²	83	97.2 Å²	97.2	51%	0.509	47%	0.468	S	S	.	.			trans	-66.5	117.6	167.8	56	0	0	0	0	108	L52 K56	L52-T54 VanDerWaalsContact C-N 3.3Å; L52-T54 PolarHBondContact O-N 3.46Å; T54-K56 PolarHBondContact O-N 2.81Å
55	R	43.2	Very low	64.3	Low	248 Å²	248	97.4 Å²	97.4	94%	0.936	47%	0.466	S	S	*	.			trans	-65.8	33.4	177.2	-88.1	-178.3	156.2	151.8	-4.7	114.2	V53	V53-R55 PolarHBondContact O-N 3.37Å
56	K	38.8	Very low	64.4	Low	159 Å²	159	97.8 Å²	97.8	69%	0.691	47%	0.467	S	S	*	.			trans	-83.9	119	167.2	-75.7	-174.5	176.4	178.8	0	108	T54 T58 D59	T54-K56 PolarHBondContact O-N 2.81Å; K56-T58 PolarHBondContact O-N 3.02Å; K56-D59 PolarHBondContact O-N 2.77Å
57	K	48.3	Very low	64.3	Low	218 Å²	218	97.3 Å²	97.3	95%	0.948	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-6.3	-170.6	-81.9	-179.8	173.3	176.7	0	116.4
58	T	41.8	Very low	64.4	Low	128 Å²	128	97.2 Å²	97.2	79%	0.785	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	0.3	-170.5	53.2	0	0	0	0	115.8	K56 R60	K56-T58 PolarHBondContact O-N 3.02Å; T58-R60 PolarHBondContact O-N 3.15Å
59	D	43.8	Very low	64.4	Low	114 Å²	114	96.7 Å²	96.7	61%	0.61	46%	0.462	S	S	*	.			trans	-86.1	114.5	177.7	-95.3	-33.7	0	0	0	112	K56 K61	K56-D59 PolarHBondContact O-N 2.77Å; D59-K61 PolarHBondContact O-N 2.8Å
60	R	45.1	Very low	64.6	Low	229 Å²	229	94.9 Å²	94.9	86%	0.864	45%	0.454	S	S	*	.			trans	-46.3	128.9	169.1	-71	175.7	165.8	171.5	-4.3	108.8	T58 V62	T58-R60 PolarHBondContact O-N 3.15Å; R60-V62 VanDerWaalsContact O-CG2 3.27Å; R60-V62 WeakPolarHBondContact O-CG2 3.49Å; R60-V62 PolarHBondContact O-N 3.29Å
61	K	52.2	Low	65	Low	202 Å²	202	93 Å²	93	88%	0.878	44%	0.441	S	S	*	.			trans	-42.8	100.3	175.7	-69.2	179.8	178	179.5	0	110.8	D59 K63	D59-K61 PolarHBondContact O-N 2.8Å; K61-K63 PolarHBondContact O-N 3.37Å
62	V	56.9	Low	65.9	Low	85 Å²	85	90.8 Å²	90.8	52%	0.515	44%	0.436	S	S	.	.			trans	-78.6	110	-178.4	-178.7	0	0	0	0	108.3	Q51 R60	Q51-V62 PolarHBondContact NE2-O 2.82Å; Q51-V62 PolarHBondContact OE1-O 3.36Å; R60-V62 VanDerWaalsContact O-CG2 3.27Å; R60-V62 WeakPolarHBondContact O-CG2 3.49Å; R60-V62 PolarHBondContact O-N 3.29Å
63	K	63.4	Low	67.2	Low	104 Å²	104	88.9 Å²	88.9	45%	0.452	43%	0.431	S	S	.	.			trans	-54.5	141.3	174.1	-66.7	-171.4	176.7	-167.9	0	110.6	L10 D23 K61 K82	L10-K63 HydrophobicContact CD1-CB 4.32Å; L10-K63 HydrophobicContact CD1-CD 4.5Å; D23-K63 IonicContact OD2-NZ 3.13Å; D23-K63 PolarHBondContact OD2-NZ 3.16Å; D23-K63 VanDerWaalsContact OD2-NZ 3.16Å; K61-K63 PolarHBondContact O-N 3.37Å; K63-K82 WeakPolarHBondContact O-CE 3.21Å; K63-K82 PolarHBondContact O-NZ 2.71Å
64	P	69.2	Low	68.9	Low	19 Å²	19	83.2 Å²	83.2	12%	0.123	40%	0.397	C	S	.	.			trans	-57.9	139.7	173.4	27.9	-35.1	0	0	0	109.2	L10 W48	L10-P64 HydrophobicContact CD1-CG 3.8Å; W48-P64 HydrophobicContact CE3-CB 4.06Å; W48-P64 HydrophobicContact CE3-CG 4.25Å; W48-P64 HydrophobicContact CZ3-CB 4.44Å; W48-P64 HydrophobicContact CZ3-CG 4.43Å
65	D	84.2	Confident	71	Confident	37 Å²	37	81 Å²	81	20%	0.198	38%	0.381	C	S	.	.			trans	-117.5	-40.1	-172.2	-167	-0.3	0	0	0	111.6	S80 V81 K82	D65-S80 VanDerWaalsContact CG-OG 3.29Å; D65-S80 CarbonylContact O-C 3.58Å; D65-S80 WeakPolarHBondContact O-CA 3.32Å; D65-S80 PolarHBondContact OD1-OG 3.06Å; D65-S80 PolarHBondContact OD2-OG 3.4Å; D65-V81 PolarHBondContact O-N 3.05Å; D65-V81 PolarHBondContact OD1-N 3.32Å; D65-K82 HydrophobicContact CB-CD 4.19Å; D65-K82 HydrophobicContact CB-CG 4.36Å; D65-K82 VanDerWaalsContact OD1-CB 3.31Å; D65-K82 WeakPolarHBondContact OD1-CB 3.39Å; D65-K82 WeakPolarHBondContact OD1-CG 3.18Å; D65-K82 PolarHBondContact OD1-N 3.25Å; D65-K82 WeakPolarHBondContact OD2-CD 3.31Å
66	L	90.2	Very high	73.3	Confident	22 Å²	22	69.2 Å²	69.2	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.2	-174.9	-58.7	-179.3	0	0	0	112.2	Q49 I78 V79 V87 F123	Q49-L66 HydrophobicContact CB-CB 4.04Å; Q49-L66 PolarHBondContact N-O 3.37Å; L66-I78 HydrophobicContact CB-CG2 4.33Å; L66-I78 HydrophobicContact CD2-CG2 4.31Å; L66-V79 WeakPolarHBondContact CA-O 3.43Å; L66-V87 HydrophobicContact CD2-CG2 3.85Å; L66-F123 HydrophobicContact CD1-CE1 3.9Å; L66-F123 HydrophobicContact CD1-CE2 4.34Å; L66-F123 HydrophobicContact CD1-CZ 3.56Å
67	V	92	Very high	75.9	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.7	175	174.3	0	0	0	0	107.8	A12 I46 T47 W48 V69 I78 V79 V81	A12-V67 HydrophobicContact CB-CG1 4.4Å; A12-V67 HydrophobicContact CB-CG2 4.39Å; I46-V67 HydrophobicContact CD1-CG1 3.48Å; I46-V67 VanDerWaalsContact CD1-CG1 3.48Å; I46-V67 HydrophobicContact CG1-CG1 3.55Å; T47-V67 CarbonylContact O-C 3.57Å; T47-V67 WeakPolarHBondContact O-CA 3.17Å; W48-V67 HydrophobicContact CD2-CG2 3.67Å; W48-V67 HydrophobicContact CE3-CG2 3.32Å; W48-V67 HydrophobicContact CG-CG2 4.5Å; W48-V67 HydrophobicContact CH2-CG2 3.77Å; W48-V67 HydrophobicContact CZ2-CG2 4.06Å; W48-V67 HydrophobicContact CZ3-CG2 3.37Å; V67-V69 HydrophobicContact CG1-CG2 4.05Å; V67-I78 CarbonylContact O-C 3.06Å; V67-I78 WeakPolarHBondContact O-CA 3.27Å; V67-V79 PolarHBondContact N-O 3.12Å; V67-V79 PolarHBondContact O-N 3.36Å; V67-V81 HydrophobicContact CG2-CG2 3.67Å
68	A	92.7	Very high	78	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.4	170.1	0	0	0	0	0	110.3	I46 T47 I76 L77 I78 I101 W103 L109	I46-A68 CarbonylContact C-O 3.57Å; I46-A68 WeakPolarHBondContact CA-O 3.4Å; T47-A68 HydrophobicContact CG2-CB 4.1Å; T47-A68 PolarHBondContact N-O 3.3Å; T47-A68 PolarHBondContact O-N 2.86Å; A68-I76 HydrophobicContact CB-CG2 4.2Å; A68-L77 CarbonylContact C-O 3.51Å; A68-L77 WeakPolarHBondContact CA-O 3.24Å; A68-I78 HydrophobicContact CB-CG1 4.33Å; A68-I101 HydrophobicContact CB-CG2 4.34Å; A68-W103 HydrophobicContact CB-CZ2 3.85Å; A68-L109 HydrophobicContact CB-CD1 4.03Å; A68-L109 HydrophobicContact CB-CD2 4.09Å
69	V	92.1	Very high	80.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.1	178.1	176.5	0	0	0	0	109.7	V14 I19 M43 C45 I46 V67 I76 L77	V14-V69 HydrophobicContact CG2-CG1 4.06Å; V14-V69 HydrophobicContact CG2-CG2 4.03Å; I19-V69 HydrophobicContact CD1-CB 4.08Å; I19-V69 HydrophobicContact CD1-CG1 4.33Å; I19-V69 HydrophobicContact CD1-CG2 3.56Å; I19-V69 HydrophobicContact CG1-CG2 4.09Å; I19-V69 HydrophobicContact CG2-CG2 4.39Å; M43-V69 HydrophobicContact CB-CG1 3.9Å; M43-V69 HydrophobicContact CG-CG1 3.95Å; M43-V69 HydrophobicContact SD-CG1 3.9Å; C45-V69 WeakPolarHBondContact O-CA 3.38Å; I46-V69 HydrophobicContact CB-CG2 4.3Å; I46-V69 HydrophobicContact CD1-CG2 3.83Å; I46-V69 HydrophobicContact CG1-CG2 3.89Å; V67-V69 HydrophobicContact CG1-CG2 4.05Å; V69-I76 CarbonylContact O-C 3.59Å; V69-I76 WeakPolarHBondContact O-CA 3.4Å; V69-L77 HydrophobicContact CB-CB 4.47Å; V69-L77 PolarHBondContact N-O 2.96Å; V69-L77 PolarHBondContact O-N 3.24Å
70	G	92	Very high	82.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.8	176.7	0	0	0	0	0	111.6	M43 S44 C45 I101	M43-G70 CarbonylContact C-O 3.5Å; M43-G70 WeakPolarHBondContact CA-O 3.49Å; S44-G70 PolarHBondContact N-O 2.94Å; S44-G70 PolarHBondContact OG-O 2.78Å; C45-G70 PolarHBondContact O-N 3.5Å; G70-I101 VanDerWaalsContact N-CD1 3.26Å
71	C	89.7	Confident	84.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.8	175.9	-58.1	0	0	0	0	110.7	A41 S73 G74 E75 V98	A41-C71 HydrophobicContact CB-CB 4.3Å; C71-S73 WeakPolarHBondContact CB-OG 3.46Å; C71-S73 PolarHBondContact O-N 3.02Å; C71-S73 VanDerWaalsContact O-N 3.14Å; C71-G74 PolarHBondContact O-N 3.44Å; C71-E75 HydrophobicContact CB-CB 4.43Å; C71-E75 WeakPolarHBondContact CB-O 2.94Å; C71-E75 PolarHBondContact N-O 2.82Å; C71-V98 PolarHBondContact O-N 3.49Å
72	S	88.2	Confident	86.1	Confident	44 Å²	44	25.4 Å²	25.4	31%	0.308	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.4	172.6	66.5	0	0	0	0	113.7	N42 G74 S97	N42-S72 PolarHBondContact N-OG 2.71Å; N42-S72 VanDerWaalsContact N-OG 3.14Å; N42-S72 WeakPolarHBondContact O-CB 2.91Å; N42-S72 PolarHBondContact O-N 3.01Å; N42-S72 PolarHBondContact O-OG 2.93Å; S72-G74 VanDerWaalsContact C-N 3.3Å; S72-S97 WeakPolarHBondContact CA-OG 3.47Å; S72-S97 WeakPolarHBondContact O-CA 3.46Å; S72-S97 WeakPolarHBondContact O-CB 3.34Å
73	S	87.6	Confident	87.4	Confident	55 Å²	55	31 Å²	31	39%	0.385	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.6	174.5	55.4	0	0	0	0	114.2	C71 E75	C71-S73 WeakPolarHBondContact CB-OG 3.46Å; C71-S73 PolarHBondContact O-N 3.02Å; C71-S73 VanDerWaalsContact O-N 3.14Å; S73-E75 VanDerWaalsContact C-N 3.32Å
74	G	89.2	Confident	88.5	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	87.9	-3.4	-172.9	0	0	0	0	0	114.5	C71 S72 C95 D96	C71-G74 PolarHBondContact O-N 3.44Å; S72-G74 VanDerWaalsContact C-N 3.3Å; G74-C95 WeakPolarHBondContact CA-O 3.44Å; G74-D96 WeakPolarHBondContact CA-O 3.41Å
75	E	90.5	Very high	89.4	Confident	37 Å²	37	37.2 Å²	37.2	17%	0.173	18%	0.175	C	C	.	.			trans	-87.6	141	-179.4	-63.9	177.3	173.3	0	0	111.8	C71 S73 V89 K91	C71-E75 HydrophobicContact CB-CB 4.43Å; C71-E75 WeakPolarHBondContact CB-O 2.94Å; C71-E75 PolarHBondContact N-O 2.82Å; S73-E75 VanDerWaalsContact C-N 3.32Å; E75-V89 HydrophobicContact CB-CG1 4.25Å; E75-V89 HydrophobicContact CG-CG1 4.47Å; E75-K91 HydrophobicContact CG-CB 4.31Å; E75-K91 HydrophobicContact CG-CD 3.97Å; E75-K91 HydrophobicContact CG-CG 4.03Å; E75-K91 WeakPolarHBondContact OE1-CD 3.46Å; E75-K91 WeakPolarHBondContact OE1-CE 2.9Å; E75-K91 IonicContact OE1-NZ 2.8Å; E75-K91 PolarHBondContact OE1-NZ 2.77Å
76	I	92.4	Very high	89.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.8	171.6	-52.5	172.6	0	0	0	109.4	A68 V69 V89 L90 V98 I101 L109 W121	A68-I76 HydrophobicContact CB-CG2 4.2Å; V69-I76 CarbonylContact O-C 3.59Å; V69-I76 WeakPolarHBondContact O-CA 3.4Å; I76-V89 WeakPolarHBondContact O-CA 3.46Å; I76-L90 HydrophobicContact CB-CB 4.13Å; I76-L90 HydrophobicContact CB-CD1 4.32Å; I76-L90 HydrophobicContact CG2-CD1 4.4Å; I76-L90 PolarHBondContact N-O 2.74Å; I76-L90 PolarHBondContact O-N 3.22Å; I76-V98 HydrophobicContact CG1-CG2 4.09Å; I76-I101 HydrophobicContact CB-CD1 4.37Å; I76-I101 HydrophobicContact CD1-CD1 4.07Å; I76-I101 HydrophobicContact CD1-CG1 4.45Å; I76-I101 HydrophobicContact CG1-CD1 3.9Å; I76-I101 HydrophobicContact CG2-CD1 3.7Å; I76-L109 HydrophobicContact CD1-CD2 4.18Å; I76-L109 HydrophobicContact CG2-CD2 3.77Å; I76-W121 HydrophobicContact CD1-CD2 4.38Å; I76-W121 HydrophobicContact CD1-CG 4.43Å; I76-W121 HydrophobicContact CD1-CZ2 4.15Å
77	L	91.7	Very high	89.4	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.9	-179.7	-55	178.4	0	0	0	109.6	P35 A68 V69 L86 V89	P35-L77 HydrophobicContact CB-CD1 3.69Å; P35-L77 HydrophobicContact CG-CD1 3.63Å; A68-L77 CarbonylContact C-O 3.51Å; A68-L77 WeakPolarHBondContact CA-O 3.24Å; V69-L77 HydrophobicContact CB-CB 4.47Å; V69-L77 PolarHBondContact N-O 2.96Å; V69-L77 PolarHBondContact O-N 3.24Å; L77-L86 HydrophobicContact CB-CD1 4.01Å; L77-L86 HydrophobicContact CD2-CD1 4.24Å; L77-V89 HydrophobicContact CD2-CB 4.32Å; L77-V89 HydrophobicContact CD2-CG1 3.95Å; L77-V89 HydrophobicContact CD2-CG2 3.64Å
78	I	92.8	Very high	89.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119	174.3	-59.4	176.1	0	0	0	108.9	L66 V67 A68 L86 V87 T88 L90 W103 F123	L66-I78 HydrophobicContact CB-CG2 4.33Å; L66-I78 HydrophobicContact CD2-CG2 4.31Å; V67-I78 CarbonylContact O-C 3.06Å; V67-I78 WeakPolarHBondContact O-CA 3.27Å; A68-I78 HydrophobicContact CB-CG1 4.33Å; I78-L86 WeakPolarHBondContact O-CD1 3.35Å; I78-V87 HydrophobicContact CG2-CB 4.5Å; I78-V87 WeakPolarHBondContact O-CB 3.4Å; I78-V87 PolarHBondContact O-N 2.86Å; I78-T88 PolarHBondContact N-O 2.85Å; I78-T88 PolarHBondContact O-N 3.35Å; I78-L90 HydrophobicContact CD1-CD1 3.81Å; I78-L90 HydrophobicContact CD1-CG 4.11Å; I78-W103 HydrophobicContact CD1-CH2 4.05Å; I78-W103 HydrophobicContact CD1-CZ2 4.26Å; I78-F123 HydrophobicContact CB-CE2 4.42Å; I78-F123 HydrophobicContact CD1-CD2 3.33Å; I78-F123 HydrophobicContact CD1-CE2 3.67Å; I78-F123 HydrophobicContact CD1-CG 4.46Å; I78-F123 HydrophobicContact CG2-CE2 3.85Å
79	V	91.4	Very high	89.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.5	-172.9	-171.8	0	0	0	0	110.2	I19 F31 Y33 L66 V67 L86	I19-V79 HydrophobicContact CD1-CG2 3.99Å; F31-V79 HydrophobicContact CE1-CG1 4.49Å; F31-V79 HydrophobicContact CE2-CG1 3.69Å; F31-V79 HydrophobicContact CZ-CB 4.36Å; F31-V79 HydrophobicContact CZ-CG1 3.43Å; F31-V79 VanDerWaalsContact CZ-CG1 3.43Å; Y33-V79 HydrophobicContact CD1-CG1 4.49Å; Y33-V79 HydrophobicContact CD1-CG2 4.19Å; Y33-V79 HydrophobicContact CE1-CG2 4.34Å; Y33-V79 HydrophobicContact CG-CG1 4.44Å; L66-V79 WeakPolarHBondContact CA-O 3.43Å; V67-V79 PolarHBondContact N-O 3.12Å; V67-V79 PolarHBondContact O-N 3.36Å; V79-L86 HydrophobicContact CG2-CD1 3.93Å
80	S	90	Very high	89.2	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.1	171.4	164.4	0	0	0	0	109.8	D65 R83 Q84 K85	D65-S80 VanDerWaalsContact CG-OG 3.29Å; D65-S80 CarbonylContact O-C 3.58Å; D65-S80 WeakPolarHBondContact O-CA 3.32Å; D65-S80 PolarHBondContact OD1-OG 3.06Å; D65-S80 PolarHBondContact OD2-OG 3.4Å; S80-R83 WeakPolarHBondContact OG-CB 3.43Å; S80-R83 WeakPolarHBondContact OG-CG 3.38Å; S80-R83 PolarHBondContact OG-N 3.08Å; S80-R83 VanDerWaalsContact OG-N 3.16Å; S80-Q84 VanDerWaalsContact O-CA 3.31Å; S80-Q84 WeakPolarHBondContact O-CA 3.42Å; S80-Q84 PolarHBondContact O-N 3.28Å; S80-K85 PolarHBondContact N-O 3.1Å; S80-K85 PolarHBondContact O-N 2.77Å
81	V	86.9	Confident	89.1	Confident	10 Å²	10	50.6 Å²	50.6	6%	0.061	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-36.4	179.6	176	0	0	0	0	111.1	F31 W48 D65 V67 Q84	F31-V81 HydrophobicContact CB-CG1 3.89Å; F31-V81 HydrophobicContact CD1-CG2 4.22Å; F31-V81 HydrophobicContact CE1-CG2 4.5Å; F31-V81 HydrophobicContact CG-CG1 4.28Å; W48-V81 HydrophobicContact CH2-CB 4.36Å; W48-V81 HydrophobicContact CH2-CG1 4.37Å; W48-V81 HydrophobicContact CH2-CG2 3.66Å; W48-V81 HydrophobicContact CZ3-CB 4.38Å; W48-V81 HydrophobicContact CZ3-CG2 3.71Å; D65-V81 PolarHBondContact O-N 3.05Å; D65-V81 PolarHBondContact OD1-N 3.32Å; V67-V81 HydrophobicContact CG2-CG2 3.67Å; V81-Q84 PolarHBondContact O-N 3.46Å
82	K	84.9	Confident	89	Confident	112 Å²	112	52 Å²	52	49%	0.487	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-37.9	177.1	-65.2	179.6	-168.4	152.5	0	112.3	K63 D65	K63-K82 WeakPolarHBondContact O-CE 3.21Å; K63-K82 PolarHBondContact O-NZ 2.71Å; D65-K82 HydrophobicContact CB-CD 4.19Å; D65-K82 HydrophobicContact CB-CG 4.36Å; D65-K82 VanDerWaalsContact OD1-CB 3.31Å; D65-K82 WeakPolarHBondContact OD1-CB 3.39Å; D65-K82 WeakPolarHBondContact OD1-CG 3.18Å; D65-K82 PolarHBondContact OD1-N 3.25Å; D65-K82 WeakPolarHBondContact OD2-CD 3.31Å
83	R	85	Confident	88.7	Confident	201 Å²	201	59.4 Å²	59.4	76%	0.758	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.9	178.9	-62.9	-177.9	173.6	-174	-1.8	113.1	S80 K85	S80-R83 WeakPolarHBondContact OG-CB 3.43Å; S80-R83 WeakPolarHBondContact OG-CG 3.38Å; S80-R83 PolarHBondContact OG-N 3.08Å; S80-R83 VanDerWaalsContact OG-N 3.16Å; R83-K85 HydrophobicContact CB-CB 4.24Å; R83-K85 PolarHBondContact O-N 2.76Å; R83-K85 VanDerWaalsContact O-N 3.16Å
84	Q	85.7	Confident	88.5	Confident	109 Å²	109	60.8 Å²	60.8	51%	0.509	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	35.6	-171.7	-53.6	-174.5	-20.6	0	0	113	I30 F31 S80 V81	I30-Q84 PolarHBondContact O-NE2 3.47Å; F31-Q84 HydrophobicContact CB-CG 4.5Å; F31-Q84 HydrophobicContact CD2-CB 3.87Å; F31-Q84 HydrophobicContact CD2-CG 3.92Å; F31-Q84 HydrophobicContact CE2-CB 4.36Å; S80-Q84 VanDerWaalsContact O-CA 3.31Å; S80-Q84 WeakPolarHBondContact O-CA 3.42Å; S80-Q84 PolarHBondContact O-N 3.28Å; V81-Q84 PolarHBondContact O-N 3.46Å
85	K	87.3	Confident	88.2	Confident	145 Å²	145	61.2 Å²	61.2	63%	0.63	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	140.8	-171	-167.2	-176.9	174.9	177.4	0	110.6	S80 R83 V87	S80-K85 PolarHBondContact N-O 3.1Å; S80-K85 PolarHBondContact O-N 2.77Å; R83-K85 HydrophobicContact CB-CB 4.24Å; R83-K85 PolarHBondContact O-N 2.76Å; R83-K85 VanDerWaalsContact O-N 3.16Å; K85-V87 PolarHBondContact O-N 3.04Å
86	L	88	Confident	88.1	Confident	49 Å²	49	63.1 Å²	63.1	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	126.9	166.2	-176.5	72	0	0	0	110.1	Y33 L77 I78 V79 V89	Y33-L86 HydrophobicContact CE1-CB 4.34Å; Y33-L86 HydrophobicContact CE2-CB 4.3Å; Y33-L86 WeakPolarHBondContact OH-CB 3.29Å; L77-L86 HydrophobicContact CB-CD1 4.01Å; L77-L86 HydrophobicContact CD2-CD1 4.24Å; I78-L86 WeakPolarHBondContact O-CD1 3.35Å; V79-L86 HydrophobicContact CG2-CD1 3.93Å; L86-V89 HydrophobicContact CD1-CG2 4.29Å; L86-V89 HydrophobicContact CD2-CG2 3.76Å; L86-V89 HydrophobicContact CG-CG2 4.4Å
87	V	88.3	Confident	88	Confident	63 Å²	63	64.5 Å²	64.5	38%	0.382	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-55.6	179.1	177.8	0	0	0	0	109.3	L66 I78 K85 F123	L66-V87 HydrophobicContact CD2-CG2 3.85Å; I78-V87 HydrophobicContact CG2-CB 4.5Å; I78-V87 WeakPolarHBondContact O-CB 3.4Å; I78-V87 PolarHBondContact O-N 2.86Å; K85-V87 PolarHBondContact O-N 3.04Å; V87-F123 HydrophobicContact CG1-CZ 4.45Å
88	T	90.4	Very high	88.1	Confident	37 Å²	37	64.2 Å²	64.2	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.5	-177.3	48	0	0	0	0	111.1	I78	I78-T88 PolarHBondContact N-O 2.85Å; I78-T88 PolarHBondContact O-N 3.35Å
89	V	90.8	Very high	88	Confident	62 Å²	62	66 Å²	66	38%	0.376	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.4	167.3	-178.6	0	0	0	0	107.3	E75 I76 L77 L86	E75-V89 HydrophobicContact CB-CG1 4.25Å; E75-V89 HydrophobicContact CG-CG1 4.47Å; I76-V89 WeakPolarHBondContact O-CA 3.46Å; L77-V89 HydrophobicContact CD2-CB 4.32Å; L77-V89 HydrophobicContact CD2-CG1 3.95Å; L77-V89 HydrophobicContact CD2-CG2 3.64Å; L86-V89 HydrophobicContact CD1-CG2 4.29Å; L86-V89 HydrophobicContact CD2-CG2 3.76Å; L86-V89 HydrophobicContact CG-CG2 4.4Å
90	L	91.4	Very high	88.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.2	169.9	-49.9	172.6	0	0	0	107.4	I76 I78 L109 W121 A126	I76-L90 HydrophobicContact CB-CB 4.13Å; I76-L90 HydrophobicContact CB-CD1 4.32Å; I76-L90 HydrophobicContact CG2-CD1 4.4Å; I76-L90 PolarHBondContact N-O 2.74Å; I76-L90 PolarHBondContact O-N 3.22Å; I78-L90 HydrophobicContact CD1-CD1 3.81Å; I78-L90 HydrophobicContact CD1-CG 4.11Å; L90-L109 HydrophobicContact CD1-CD2 3.67Å; L90-W121 HydrophobicContact CB-CD2 4.29Å; L90-W121 HydrophobicContact CB-CE3 3.87Å; L90-W121 HydrophobicContact CB-CZ3 4.11Å; L90-W121 HydrophobicContact CD1-CB 3.8Å; L90-W121 HydrophobicContact CD1-CD2 4.27Å; L90-W121 HydrophobicContact CD1-CE3 4.44Å; L90-W121 HydrophobicContact CD1-CG 4Å; L90-A126 HydrophobicContact CD2-CB 3.82Å
91	K	89	Confident	88.3	Confident	130 Å²	130	66.7 Å²	66.7	57%	0.565	32%	0.321	S	S	*	.			trans	-139.6	142	178.8	-174.8	174.1	-172	157.5	0	108.8	E75	E75-K91 HydrophobicContact CG-CB 4.31Å; E75-K91 HydrophobicContact CG-CD 3.97Å; E75-K91 HydrophobicContact CG-CG 4.03Å; E75-K91 WeakPolarHBondContact OE1-CD 3.46Å; E75-K91 WeakPolarHBondContact OE1-CE 2.9Å; E75-K91 IonicContact OE1-NZ 2.8Å; E75-K91 PolarHBondContact OE1-NZ 2.77Å
92	D	87.5	Confident	88.7	Confident	29 Å²	29	66.8 Å²	66.8	16%	0.155	32%	0.321	C	S	.	.			trans	-140.2	146.7	170.4	-171.8	63.2	0	0	0	109.3	E94 C95 W121 K128	D92-E94 VanDerWaalsContact C-N 3.27Å; D92-E94 PolarHBondContact O-N 3.02Å; D92-E94 WeakPolarHBondContact OD2-CB 3.41Å; D92-E94 PolarHBondContact OD2-N 3.04Å; D92-C95 HydrophobicContact CB-CB 4.28Å; D92-C95 PolarHBondContact O-N 2.75Å; D92-W121 HydrophobicContact CB-CH2 3.48Å; D92-W121 VanDerWaalsContact CB-CH2 3.48Å; D92-W121 HydrophobicContact CB-CZ3 3.86Å; D92-K128 HydrophobicContact CB-CD 4.4Å; D92-K128 VanDerWaalsContact CG-CD 3.41Å; D92-K128 VanDerWaalsContact CG-CE 3.47Å; D92-K128 VanDerWaalsContact OD1-CD 3.24Å; D92-K128 WeakPolarHBondContact OD1-CD 3.4Å; D92-K128 WeakPolarHBondContact OD1-CE 3.35Å; D92-K128 IonicContact OD1-NZ 2.66Å; D92-K128 PolarHBondContact OD1-NZ 3.46Å; D92-K128 WeakPolarHBondContact OD2-CD 3.49Å; D92-K128 WeakPolarHBondContact OD2-CE 3.4Å; D92-K128 IonicContact OD2-NZ 3.37Å; D92-K128 PolarHBondContact OD2-NZ 3.44Å
93	E	81.8	Confident	89	Confident	200 Å²	200	62 Å²	62	94%	0.935	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.8	-177.2	-63.6	-179.4	169	0	0	112.8
94	E	83.6	Confident	89.2	Confident	84 Å²	84	52.4 Å²	52.4	39%	0.393	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.9	179	-59.9	178.3	-129.1	0	0	113.2	D92 D96 R117 K128 Q131	D92-E94 VanDerWaalsContact C-N 3.27Å; D92-E94 PolarHBondContact O-N 3.02Å; D92-E94 WeakPolarHBondContact OD2-CB 3.41Å; D92-E94 PolarHBondContact OD2-N 3.04Å; E94-D96 PolarHBondContact O-N 2.75Å; E94-R117 IonicContact OE2-NH1 2.77Å; E94-R117 PolarHBondContact OE2-NH1 2.77Å; E94-R117 VanDerWaalsContact OE2-NH1 3.1Å; E94-K128 IonicContact OE1-NZ 3.54Å; E94-K128 PolarHBondContact OE1-NZ 3.45Å; E94-Q131 PolarHBondContact OE2-NE2 3.43Å; E94-Q131 PolarHBondContact OE2-OE1 3.23Å
95	C	83	Confident	89.1	Confident	10 Å²	10	50.5 Å²	50.5	7%	0.068	26%	0.257	C	S	.	.			trans	-89.8	106.3	-178.4	-158.3	0	0	0	0	110	G74 D92 F119 W121	G74-C95 WeakPolarHBondContact CA-O 3.44Å; D92-C95 HydrophobicContact CB-CB 4.28Å; D92-C95 PolarHBondContact O-N 2.75Å; C95-F119 HydrophobicContact CB-CE1 4.41Å; C95-F119 HydrophobicContact CB-CE2 4.41Å; C95-F119 HydrophobicContact CB-CZ 4.16Å; C95-W121 HydrophobicContact CB-CH2 4.45Å; C95-W121 HydrophobicContact CB-CZ2 4.41Å
96	D	88.5	Confident	88.8	Confident	76 Å²	76	46.5 Å²	46.5	41%	0.406	25%	0.247	S	C	.	.			trans	-72.9	-167.3	166.3	-168.5	21.7	0	0	0	110.6	G74 E94 V98 S114	G74-D96 WeakPolarHBondContact CA-O 3.41Å; E94-D96 PolarHBondContact O-N 2.75Å; D96-V98 PolarHBondContact O-N 2.77Å; D96-V98 VanDerWaalsContact O-N 3.12Å; D96-S114 VanDerWaalsContact CG-OG 3.25Å; D96-S114 PolarHBondContact OD2-OG 3.49Å
97	S	90.8	Very high	88.6	Confident	30 Å²	30	46.6 Å²	46.6	21%	0.21	25%	0.248	C	C	.	.			trans	-45.7	118.6	179.9	176.9	0	0	0	0	113.8	S72 T99 S114	S72-S97 WeakPolarHBondContact CA-OG 3.47Å; S72-S97 WeakPolarHBondContact O-CA 3.46Å; S72-S97 WeakPolarHBondContact O-CB 3.34Å; S97-T99 PolarHBondContact O-N 3.37Å; S97-S114 PolarHBondContact N-OG 3.13Å; S97-S114 PolarHBondContact O-N 3.33Å; S97-S114 VanDerWaalsContact O-N 3.1Å; S97-S114 PolarHBondContact O-OG 2.94Å
98	V	92.6	Very high	88.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.5	173.8	-174	0	0	0	0	108.8	S44 C71 I76 D96 I101 G112	S44-V98 VanDerWaalsContact CB-O 3.29Å; S44-V98 WeakPolarHBondContact CB-O 3.36Å; S44-V98 PolarHBondContact OG-O 3.1Å; C71-V98 PolarHBondContact O-N 3.49Å; I76-V98 HydrophobicContact CG1-CG2 4.09Å; D96-V98 PolarHBondContact O-N 2.77Å; D96-V98 VanDerWaalsContact O-N 3.12Å; V98-I101 HydrophobicContact CG1-CD1 3.82Å; V98-I101 HydrophobicContact CG1-CG1 3.54Å; V98-G112 WeakPolarHBondContact CA-O 3.17Å
99	T	92.2	Very high	88.8	Confident	38 Å²	38	45 Å²	45	23%	0.233	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-33	-177.4	51.9	0	0	0	0	112.7	S97 G112 V139	S97-T99 PolarHBondContact O-N 3.37Å; T99-G112 PolarHBondContact N-O 3.41Å; T99-G112 PolarHBondContact OG1-O 3.17Å; T99-G112 VanDerWaalsContact OG1-O 3.09Å; T99-V139 VanDerWaalsContact CB-O 3.24Å; T99-V139 WeakPolarHBondContact CB-O 3.38Å; T99-V139 PolarHBondContact OG1-O 2.93Å
100	S	92.6	Very high	89	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	149.9	-177.4	54.6	0	0	0	0	111.1	S111 G112 I142	S100-S111 CarbonylContact O-C 3.57Å; S100-S111 VanDerWaalsContact O-CA 3.3Å; S100-S111 WeakPolarHBondContact O-CA 3.43Å; S100-G112 PolarHBondContact O-N 3.24Å; S100-I142 PolarHBondContact OG-N 2.98Å
101	I	94.5	Very high	89.1	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.3	-179.9	-60.8	172.5	0	0	0	108.7	T47 A68 G70 I76 V98 L109 F110	T47-I101 HydrophobicContact CG2-CB 4.02Å; T47-I101 HydrophobicContact CG2-CG2 3.52Å; A68-I101 HydrophobicContact CB-CG2 4.34Å; G70-I101 VanDerWaalsContact N-CD1 3.26Å; I76-I101 HydrophobicContact CB-CD1 4.37Å; I76-I101 HydrophobicContact CD1-CD1 4.07Å; I76-I101 HydrophobicContact CD1-CG1 4.45Å; I76-I101 HydrophobicContact CG1-CD1 3.9Å; I76-I101 HydrophobicContact CG2-CD1 3.7Å; V98-I101 HydrophobicContact CG1-CD1 3.82Å; V98-I101 HydrophobicContact CG1-CG1 3.54Å; I101-L109 HydrophobicContact CG2-CD1 3.35Å; I101-L109 HydrophobicContact CG2-CD2 4.08Å; I101-L109 HydrophobicContact CG2-CG 3.75Å; I101-F110 CarbonylContact C-O 3.52Å; I101-F110 VanDerWaalsContact CA-O 3.25Å; I101-F110 WeakPolarHBondContact CA-O 3Å; I101-F110 WeakPolarHBondContact CG2-O 3.18Å
102	D	94.5	Very high	89.4	Confident	13 Å²	13	36.1 Å²	36.1	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.1	168.4	-156.4	41.7	0	0	0	111.4	F110 R143 C144	D102-F110 PolarHBondContact N-O 3.39Å; D102-F110 PolarHBondContact O-N 2.93Å; D102-R143 IonicContact OD1-CZ 3.58Å; D102-R143 IonicContact OD1-NH1 2.61Å; D102-R143 PolarHBondContact OD1-NH1 3.34Å; D102-R143 VanDerWaalsContact OD2-CA 3.27Å; D102-R143 WeakPolarHBondContact OD2-CA 3.42Å; D102-R143 WeakPolarHBondContact OD2-CD 3.25Å; D102-C144 PolarHBondContact OD2-N 3.26Å
103	W	91.6	Very high	89.7	Confident	10 Å²	10	34.7 Å²	34.7	4%	0.038	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.7	175.7	-71.6	90.3	0	0	0	111	T47 Q49 P50 A68 I78 L109 F123	T47-W103 HydrophobicContact CG2-CG 4.45Å; T47-W103 PolarHBondContact O-NE1 2.92Å; Q49-W103 HydrophobicContact CB-CD2 4.32Å; Q49-W103 HydrophobicContact CG-CD2 4.32Å; Q49-W103 HydrophobicContact CG-CE3 4.26Å; Q49-W103 HydrophobicContact CG-CZ3 4.48Å; P50-W103 HydrophobicContact CG-CB 4.04Å; A68-W103 HydrophobicContact CB-CZ2 3.85Å; I78-W103 HydrophobicContact CD1-CH2 4.05Å; I78-W103 HydrophobicContact CD1-CZ2 4.26Å; W103-L109 HydrophobicContact CD2-CD1 3.5Å; W103-L109 VanDerWaalsContact CD2-CD1 3.5Å; W103-L109 VanDerWaalsContact CE2-CD1 3.49Å; W103-L109 HydrophobicContact CE3-CB 4.36Å; W103-L109 HydrophobicContact CE3-CD1 4.06Å; W103-L109 HydrophobicContact CG-CD1 3.67Å; W103-L109 HydrophobicContact CZ2-CD1 4.05Å; W103-L109 HydrophobicContact CZ3-CB 4.45Å; W103-F123 HydrophobicContact CH2-CB 4.35Å; W103-F123 HydrophobicContact CH2-CD2 4.13Å; W103-F123 HydrophobicContact CH2-CG 4.12Å; W103-F123 HydrophobicContact CZ3-CB 4.17Å; W103-F123 HydrophobicContact CZ3-CG 4.28Å
104	S	89.1	Confident	90.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.			trans	-84.3	161.8	165.1	69.5	0	0	0	0	112.1	P50 S106 N107 E108	P50-S104 WeakPolarHBondContact CG-O 3.48Å; S104-S106 PolarHBondContact O-N 2.77Å; S104-S106 PolarHBondContact OG-N 3.3Å; S104-S106 PolarHBondContact OG-OG 3.31Å; S104-N107 PolarHBondContact O-N 3.35Å; S104-N107 VanDerWaalsContact O-N 3.09Å; S104-E108 PolarHBondContact N-O 3.16Å; S104-E108 WeakPolarHBondContact OG-CB 3.5Å; S104-E108 PolarHBondContact OG-N 3.25Å; S104-E108 PolarHBondContact OG-O 2.92Å
105	I	83.3	Confident	90.6	Very high	70 Å²	70	27 Å²	27	36%	0.359	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.7	169.7	-156.8	79.5	0	0	0	112.3	N107	I105-N107 PolarHBondContact O-N 2.9Å
106	S	81.4	Confident	91.1	Very high	60 Å²	60	26.5 Å²	26.5	42%	0.42	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	1.8	176	52.8	0	0	0	0	113.8	S104 E108	S104-S106 PolarHBondContact O-N 2.77Å; S104-S106 PolarHBondContact OG-N 3.3Å; S104-S106 PolarHBondContact OG-OG 3.31Å; S106-E108 VanDerWaalsContact C-N 3.25Å; S106-E108 PolarHBondContact OG-OE2 2.69Å
107	N	84.2	Confident	91.4	Very high	52 Å²	52	27.4 Å²	27.4	28%	0.278	15%	0.147	S	C	.	.	S	Bend	trans	63.2	25.4	-171.3	-58.4	-53.2	0	0	0	114.2	Q49 S104 I105	Q49-N107 PolarHBondContact NE2-OD1 3.48Å; S104-N107 PolarHBondContact O-N 3.35Å; S104-N107 VanDerWaalsContact O-N 3.09Å; I105-N107 PolarHBondContact O-N 2.9Å
108	E	89	Confident	91.6	Very high	67 Å²	67	26 Å²	26	31%	0.313	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.9	166.1	-64	168.4	132.8	0	0	108.3	S104 S106 F110	S104-E108 PolarHBondContact N-O 3.16Å; S104-E108 WeakPolarHBondContact OG-CB 3.5Å; S104-E108 PolarHBondContact OG-N 3.25Å; S104-E108 PolarHBondContact OG-O 2.92Å; S106-E108 VanDerWaalsContact C-N 3.25Å; S106-E108 PolarHBondContact OG-OE2 2.69Å; E108-F110 HydrophobicContact CB-CE2 3.92Å; E108-F110 HydrophobicContact CB-CZ 4.23Å
109	L	93.3	Very high	91.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.1	179	-172.6	71.8	0	0	0	109.1	T47 A68 I76 L90 I101 W103 C120 W121	T47-L109 HydrophobicContact CG2-CD1 4.4Å; A68-L109 HydrophobicContact CB-CD1 4.03Å; A68-L109 HydrophobicContact CB-CD2 4.09Å; I76-L109 HydrophobicContact CD1-CD2 4.18Å; I76-L109 HydrophobicContact CG2-CD2 3.77Å; L90-L109 HydrophobicContact CD1-CD2 3.67Å; I101-L109 HydrophobicContact CG2-CD1 3.35Å; I101-L109 HydrophobicContact CG2-CD2 4.08Å; I101-L109 HydrophobicContact CG2-CG 3.75Å; W103-L109 HydrophobicContact CD2-CD1 3.5Å; W103-L109 VanDerWaalsContact CD2-CD1 3.5Å; W103-L109 VanDerWaalsContact CE2-CD1 3.49Å; W103-L109 HydrophobicContact CE3-CB 4.36Å; W103-L109 HydrophobicContact CE3-CD1 4.06Å; W103-L109 HydrophobicContact CG-CD1 3.67Å; W103-L109 HydrophobicContact CZ2-CD1 4.05Å; W103-L109 HydrophobicContact CZ3-CB 4.45Å; L109-C120 CarbonylContact O-C 3.57Å; L109-C120 WeakPolarHBondContact O-CA 3.44Å; L109-W121 HydrophobicContact CB-CB 4.19Å; L109-W121 PolarHBondContact N-O 3.49Å; L109-W121 PolarHBondContact O-N 2.87Å
110	F	94.9	Very high	91.8	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.4	175.9	-64.5	-86.8	0	0	0	109.8	I101 D102 E108 F119 C120 W132 I142 C144 L151 L163	I101-F110 CarbonylContact C-O 3.52Å; I101-F110 VanDerWaalsContact CA-O 3.25Å; I101-F110 WeakPolarHBondContact CA-O 3Å; I101-F110 WeakPolarHBondContact CG2-O 3.18Å; D102-F110 PolarHBondContact N-O 3.39Å; D102-F110 PolarHBondContact O-N 2.93Å; E108-F110 HydrophobicContact CB-CE2 3.92Å; E108-F110 HydrophobicContact CB-CZ 4.23Å; F110-F119 CarbonylContact C-O 3.55Å; F110-F119 VanDerWaalsContact CA-O 3.27Å; F110-F119 WeakPolarHBondContact CA-O 3.32Å; F110-C120 HydrophobicContact CD1-CB 3.85Å; F110-C120 HydrophobicContact CE1-CB 3.55Å; F110-C120 VanDerWaalsContact CE1-SG 3.58Å; F110-C120 HydrophobicContact CZ-CB 4.37Å; F110-W132 AromaticContact CD1-CH2 3.95Å; F110-W132 HydrophobicContact CD1-CH2 3.95Å; F110-W132 AromaticContact CE1-CH2 3.84Å; F110-W132 HydrophobicContact CE1-CH2 3.84Å; F110-W132 HydrophobicContact CE1-CZ3 4.46Å; F110-I142 HydrophobicContact CB-CG2 4.22Å; F110-C144 WeakPolarHBondContact CD2-SG 3.19Å; F110-L151 HydrophobicContact CB-CD1 4Å; F110-L151 HydrophobicContact CB-CD2 4.43Å; F110-L151 HydrophobicContact CD1-CD1 4.3Å; F110-L151 HydrophobicContact CD1-CD2 3.94Å; F110-L151 HydrophobicContact CD2-CD1 4.09Å; F110-L151 HydrophobicContact CG-CD1 3.84Å; F110-L151 HydrophobicContact CG-CD2 4.24Å; F110-L163 HydrophobicContact CD1-CD2 4.24Å; F110-L163 HydrophobicContact CE1-CD2 3.38Å; F110-L163 HydrophobicContact CE2-CD1 4.12Å; F110-L163 HydrophobicContact CE2-CD2 4.2Å; F110-L163 HydrophobicContact CZ-CD1 3.88Å; F110-L163 HydrophobicContact CZ-CD2 3.36Å; F110-L163 HydrophobicContact CZ-CG 4.21Å
111	S	94.8	Very high	91.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.8	174.8	73.6	0	0	0	0	112.2	S100 I118 F119 W121	S100-S111 CarbonylContact O-C 3.57Å; S100-S111 VanDerWaalsContact O-CA 3.3Å; S100-S111 WeakPolarHBondContact O-CA 3.43Å; S111-I118 WeakPolarHBondContact O-CA 3.45Å; S111-F119 PolarHBondContact N-O 2.79Å; S111-F119 PolarHBondContact O-N 2.67Å; S111-W121 PolarHBondContact OG-NE1 3.37Å
112	G	94.1	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.4	173.3	0	0	0	0	0	110.2	V98 T99 S100 I142	V98-G112 WeakPolarHBondContact CA-O 3.17Å; T99-G112 PolarHBondContact N-O 3.41Å; T99-G112 PolarHBondContact OG1-O 3.17Å; T99-G112 VanDerWaalsContact OG1-O 3.09Å; S100-G112 PolarHBondContact O-N 3.24Å; G112-I142 VanDerWaalsContact CA-CD1 3.44Å; G112-I142 VanDerWaalsContact N-CD1 3.28Å
113	S	94.1	Very high	91	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	156.3	177.1	169.4	0	0	0	0	111.5	D115 G116 R117 V139	S113-D115 PolarHBondContact O-N 3.25Å; S113-D115 PolarHBondContact OG-N 3.27Å; S113-G116 PolarHBondContact O-N 3.32Å; S113-G116 VanDerWaalsContact O-N 3.14Å; S113-R117 PolarHBondContact N-O 3.47Å; S113-V139 PolarHBondContact O-N 3.2Å
114	S	92.5	Very high	90.6	Very high	32 Å²	32	35.6 Å²	35.6	22%	0.224	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-29.6	166.3	34.3	0	0	0	0	113.4	D96 S97 G116 S138	D96-S114 VanDerWaalsContact CG-OG 3.25Å; D96-S114 PolarHBondContact OD2-OG 3.49Å; S97-S114 PolarHBondContact N-OG 3.13Å; S97-S114 PolarHBondContact O-N 3.33Å; S97-S114 VanDerWaalsContact O-N 3.1Å; S97-S114 PolarHBondContact O-OG 2.94Å; S114-G116 VanDerWaalsContact C-N 3.26Å; S114-G116 PolarHBondContact O-N 3.3Å; S114-S138 WeakPolarHBondContact O-CA 3.37Å; S114-S138 WeakPolarHBondContact O-CB 3.26Å; S114-S138 PolarHBondContact O-N 2.99Å
115	D	91.9	Very high	90.4	Very high	90 Å²	90	40.8 Å²	40.8	48%	0.481	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	2.6	-179.2	-68.8	-23	0	0	0	114.2	S113 R117	S113-D115 PolarHBondContact O-N 3.25Å; S113-D115 PolarHBondContact OG-N 3.27Å; D115-R117 VanDerWaalsContact C-N 3.26Å; D115-R117 PolarHBondContact O-N 3.13Å
116	G	92.7	Very high	90.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	80	3.3	-179	0	0	0	0	0	114.7	S113 S114 G134 H135 S137	S113-G116 PolarHBondContact O-N 3.32Å; S113-G116 VanDerWaalsContact O-N 3.14Å; S114-G116 VanDerWaalsContact C-N 3.26Å; S114-G116 PolarHBondContact O-N 3.3Å; G116-G134 PolarHBondContact O-N 3.26Å; G116-G134 VanDerWaalsContact O-N 3.12Å; G116-H135 PolarHBondContact O-N 2.87Å; G116-S137 WeakPolarHBondContact CA-O 3.34Å
117	R	94.8	Very high	90.9	Very high	94 Å²	94	43.4 Å²	43.4	36%	0.355	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	149.6	172.7	-64.8	-177.3	-176.2	-171.7	4.4	111.5	E94 S113 D115 F119 W132	E94-R117 IonicContact OE2-NH1 2.77Å; E94-R117 PolarHBondContact OE2-NH1 2.77Å; E94-R117 VanDerWaalsContact OE2-NH1 3.1Å; S113-R117 PolarHBondContact N-O 3.47Å; D115-R117 VanDerWaalsContact C-N 3.26Å; D115-R117 PolarHBondContact O-N 3.13Å; R117-F119 HydrophobicContact CB-CD2 4.48Å; R117-F119 HydrophobicContact CB-CE2 3.81Å; R117-F119 HydrophobicContact CB-CZ 4.21Å; R117-W132 WeakPolarHBondContact CA-O 3.42Å
118	I	95.2	Very high	91.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128	172.9	-58.9	170.9	0	0	0	107.5	S111 Q131 W132 V139 I142 L151 S153	S111-I118 WeakPolarHBondContact O-CA 3.45Å; I118-Q131 WeakPolarHBondContact O-CA 3.21Å; I118-W132 HydrophobicContact CB-CD2 4.33Å; I118-W132 HydrophobicContact CB-CH2 4.48Å; I118-W132 HydrophobicContact CB-CZ2 3.99Å; I118-W132 HydrophobicContact CD1-CZ2 4.36Å; I118-W132 HydrophobicContact CG2-CH2 3.76Å; I118-W132 HydrophobicContact CG2-CZ2 3.54Å; I118-W132 HydrophobicContact CG2-CZ3 4.39Å; I118-W132 PolarHBondContact N-O 3.01Å; I118-W132 PolarHBondContact O-N 2.8Å; I118-V139 HydrophobicContact CG1-CG2 4.35Å; I118-I142 HydrophobicContact CG1-CD1 4.07Å; I118-I142 HydrophobicContact CG2-CD1 3.94Å; I118-L151 HydrophobicContact CD1-CD2 4.46Å; I118-L151 HydrophobicContact CG2-CD2 3.79Å; I118-S153 WeakPolarHBondContact CD1-OG 3.37Å
119	F	94.5	Very high	91.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.1	178.1	-62.9	-96.5	0	0	0	109.6	C95 F110 S111 R117 W121 Q131	C95-F119 HydrophobicContact CB-CE1 4.41Å; C95-F119 HydrophobicContact CB-CE2 4.41Å; C95-F119 HydrophobicContact CB-CZ 4.16Å; F110-F119 CarbonylContact C-O 3.55Å; F110-F119 VanDerWaalsContact CA-O 3.27Å; F110-F119 WeakPolarHBondContact CA-O 3.32Å; S111-F119 PolarHBondContact N-O 2.79Å; S111-F119 PolarHBondContact O-N 2.67Å; R117-F119 HydrophobicContact CB-CD2 4.48Å; R117-F119 HydrophobicContact CB-CE2 3.81Å; R117-F119 HydrophobicContact CB-CZ 4.21Å; F119-W121 HydrophobicContact CB-CZ2 4.11Å; F119-W121 HydrophobicContact CD1-CZ2 4.47Å; F119-W121 HydrophobicContact CG-CZ2 4.34Å; F119-Q131 HydrophobicContact CD1-CB 3.83Å; F119-Q131 HydrophobicContact CE1-CB 4.04Å
120	C	94	Very high	91.1	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.6	167.8	176.9	0	0	0	0	108.1	L109 F110 A129 R130 W132	L109-C120 CarbonylContact O-C 3.57Å; L109-C120 WeakPolarHBondContact O-CA 3.44Å; F110-C120 HydrophobicContact CD1-CB 3.85Å; F110-C120 HydrophobicContact CE1-CB 3.55Å; F110-C120 VanDerWaalsContact CE1-SG 3.58Å; F110-C120 HydrophobicContact CZ-CB 4.37Å; C120-A129 PolarHBondContact O-N 2.82Å; C120-R130 HydrophobicContact CB-CB 4.13Å; C120-R130 PolarHBondContact N-O 3.35Å; C120-R130 PolarHBondContact O-N 3.47Å; C120-W132 HydrophobicContact CB-CZ3 4.13Å
121	W	93.2	Very high	91	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133	-176.9	-52.8	86.9	0	0	0	110.3	I76 L90 D92 C95 L109 S111 F119 F123 K128	I76-W121 HydrophobicContact CD1-CD2 4.38Å; I76-W121 HydrophobicContact CD1-CG 4.43Å; I76-W121 HydrophobicContact CD1-CZ2 4.15Å; L90-W121 HydrophobicContact CB-CD2 4.29Å; L90-W121 HydrophobicContact CB-CE3 3.87Å; L90-W121 HydrophobicContact CB-CZ3 4.11Å; L90-W121 HydrophobicContact CD1-CB 3.8Å; L90-W121 HydrophobicContact CD1-CD2 4.27Å; L90-W121 HydrophobicContact CD1-CE3 4.44Å; L90-W121 HydrophobicContact CD1-CG 4Å; D92-W121 HydrophobicContact CB-CH2 3.48Å; D92-W121 VanDerWaalsContact CB-CH2 3.48Å; D92-W121 HydrophobicContact CB-CZ3 3.86Å; C95-W121 HydrophobicContact CB-CH2 4.45Å; C95-W121 HydrophobicContact CB-CZ2 4.41Å; L109-W121 HydrophobicContact CB-CB 4.19Å; L109-W121 PolarHBondContact N-O 3.49Å; L109-W121 PolarHBondContact O-N 2.87Å; S111-W121 PolarHBondContact OG-NE1 3.37Å; F119-W121 HydrophobicContact CB-CZ2 4.11Å; F119-W121 HydrophobicContact CD1-CZ2 4.47Å; F119-W121 HydrophobicContact CG-CZ2 4.34Å; W121-F123 PolarHBondContact O-N 3.5Å; W121-K128 HydrophobicContact CE3-CB 4.13Å; W121-K128 HydrophobicContact CZ3-CB 4.07Å
122	D	88.5	Confident	91	Very high	51 Å²	51	53.9 Å²	53.9	27%	0.273	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.3	167.8	-179.4	3.1	0	0	0	108.8	K124 N125 A126 K127 A129	D122-K124 PolarHBondContact O-N 3.42Å; D122-K124 WeakPolarHBondContact OD1-CB 3.49Å; D122-K124 PolarHBondContact OD1-N 3.35Å; D122-N125 PolarHBondContact O-N 3.46Å; D122-N125 PolarHBondContact OD2-ND2 2.97Å; D122-A126 PolarHBondContact O-N 3.31Å; D122-K127 PolarHBondContact N-O 3.39Å; D122-K127 PolarHBondContact O-N 2.79Å; D122-A129 HydrophobicContact CB-CB 4.17Å
123	F	83.3	Confident	90.9	Very high	42 Å²	42	60.2 Å²	60.2	18%	0.184	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.4	177.9	170.3	-116.4	0	0	0	112.6	L66 I78 V87 W103 W121 N125 A126	L66-F123 HydrophobicContact CD1-CE1 3.9Å; L66-F123 HydrophobicContact CD1-CE2 4.34Å; L66-F123 HydrophobicContact CD1-CZ 3.56Å; I78-F123 HydrophobicContact CB-CE2 4.42Å; I78-F123 HydrophobicContact CD1-CD2 3.33Å; I78-F123 HydrophobicContact CD1-CE2 3.67Å; I78-F123 HydrophobicContact CD1-CG 4.46Å; I78-F123 HydrophobicContact CG2-CE2 3.85Å; V87-F123 HydrophobicContact CG1-CZ 4.45Å; W103-F123 HydrophobicContact CH2-CB 4.35Å; W103-F123 HydrophobicContact CH2-CD2 4.13Å; W103-F123 HydrophobicContact CH2-CG 4.12Å; W103-F123 HydrophobicContact CZ3-CB 4.17Å; W103-F123 HydrophobicContact CZ3-CG 4.28Å; W121-F123 PolarHBondContact O-N 3.5Å; F123-N125 PolarHBondContact O-N 2.99Å; F123-A126 PolarHBondContact O-N 3.46Å
124	K	84	Confident	90.5	Very high	181 Å²	181	60.3 Å²	60.3	79%	0.787	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-37.6	-175	-67.9	-179.7	179.5	174	0	112.1	D122	D122-K124 PolarHBondContact O-N 3.42Å; D122-K124 WeakPolarHBondContact OD1-CB 3.49Å; D122-K124 PolarHBondContact OD1-N 3.35Å
125	N	84.8	Confident	90.4	Very high	109 Å²	109	59.2 Å²	59.2	58%	0.583	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-3	-178.1	-69.5	-42	0	0	0	113.3	D122 F123 K127	D122-N125 PolarHBondContact O-N 3.46Å; D122-N125 PolarHBondContact OD2-ND2 2.97Å; F123-N125 PolarHBondContact O-N 2.99Å; N125-K127 WeakPolarHBondContact O-CG 3.47Å; N125-K127 PolarHBondContact O-N 2.97Å
126	A	86.3	Confident	90.4	Very high	35 Å²	35	61.1 Å²	61.1	29%	0.289	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	35.8	-176.7	0	0	0	0	0	114.1	L90 D122 F123	L90-A126 HydrophobicContact CD2-CB 3.82Å; D122-A126 PolarHBondContact O-N 3.31Å; F123-A126 PolarHBondContact O-N 3.46Å
127	K	88.4	Confident	90.3	Very high	150 Å²	150	62.9 Å²	62.9	65%	0.652	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.3	-175.8	-74.8	178.6	-176.7	-173.5	0	111.4	D122 N125 A129	D122-K127 PolarHBondContact N-O 3.39Å; D122-K127 PolarHBondContact O-N 2.79Å; N125-K127 WeakPolarHBondContact O-CG 3.47Å; N125-K127 PolarHBondContact O-N 2.97Å; K127-A129 PolarHBondContact O-N 2.89Å
128	K	90.8	Very high	90.2	Very high	67 Å²	67	60.9 Å²	60.9	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	126.6	167	62.9	167.5	169.6	-158	0	109.4	D92 E94 W121	D92-K128 HydrophobicContact CB-CD 4.4Å; D92-K128 VanDerWaalsContact CG-CD 3.41Å; D92-K128 VanDerWaalsContact CG-CE 3.47Å; D92-K128 VanDerWaalsContact OD1-CD 3.24Å; D92-K128 WeakPolarHBondContact OD1-CD 3.4Å; D92-K128 WeakPolarHBondContact OD1-CE 3.35Å; D92-K128 IonicContact OD1-NZ 2.66Å; D92-K128 PolarHBondContact OD1-NZ 3.46Å; D92-K128 WeakPolarHBondContact OD2-CD 3.49Å; D92-K128 WeakPolarHBondContact OD2-CE 3.4Å; D92-K128 IonicContact OD2-NZ 3.37Å; D92-K128 PolarHBondContact OD2-NZ 3.44Å; E94-K128 IonicContact OE1-NZ 3.54Å; E94-K128 PolarHBondContact OE1-NZ 3.45Å; W121-K128 HydrophobicContact CE3-CB 4.13Å; W121-K128 HydrophobicContact CZ3-CB 4.07Å
129	A	89.8	Confident	90.1	Very high	57 Å²	57	60.9 Å²	60.9	47%	0.471	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-46	176.3	0	0	0	0	0	110.6	C120 D122 K127	C120-A129 PolarHBondContact O-N 2.82Å; D122-A129 HydrophobicContact CB-CB 4.17Å; K127-A129 PolarHBondContact O-N 2.89Å
130	R	91.3	Very high	90.1	Very high	118 Å²	118	62 Å²	62	45%	0.445	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.3	179.9	-57.4	179.8	-174.6	167.8	2	110.2	C120 W132 L163	C120-R130 HydrophobicContact CB-CB 4.13Å; C120-R130 PolarHBondContact N-O 3.35Å; C120-R130 PolarHBondContact O-N 3.47Å; R130-W132 HydrophobicContact CB-CE3 4.49Å; R130-W132 HydrophobicContact CB-CZ3 4.38Å; R130-L163 PolarHBondContact NH1-O 2.85Å; R130-L163 VanDerWaalsContact NH1-O 3.1Å
131	Q	92	Very high	90.1	Very high	70 Å²	70	62.5 Å²	62.5	33%	0.327	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.5	166.6	61.3	171.9	-11.3	0	0	109.5	E94 I118 F119	E94-Q131 PolarHBondContact OE2-NE2 3.43Å; E94-Q131 PolarHBondContact OE2-OE1 3.23Å; I118-Q131 WeakPolarHBondContact O-CA 3.21Å; F119-Q131 HydrophobicContact CD1-CB 3.83Å; F119-Q131 HydrophobicContact CE1-CB 4.04Å
132	W	94.1	Very high	90.1	Very high	32 Å²	32	62.6 Å²	62.6	12%	0.121	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.2	170.8	64.4	100	0	0	0	110.8	F110 R117 I118 C120 R130 G134 L151 W161 L163 N166	F110-W132 AromaticContact CD1-CH2 3.95Å; F110-W132 HydrophobicContact CD1-CH2 3.95Å; F110-W132 AromaticContact CE1-CH2 3.84Å; F110-W132 HydrophobicContact CE1-CH2 3.84Å; F110-W132 HydrophobicContact CE1-CZ3 4.46Å; R117-W132 WeakPolarHBondContact CA-O 3.42Å; I118-W132 HydrophobicContact CB-CD2 4.33Å; I118-W132 HydrophobicContact CB-CH2 4.48Å; I118-W132 HydrophobicContact CB-CZ2 3.99Å; I118-W132 HydrophobicContact CD1-CZ2 4.36Å; I118-W132 HydrophobicContact CG2-CH2 3.76Å; I118-W132 HydrophobicContact CG2-CZ2 3.54Å; I118-W132 HydrophobicContact CG2-CZ3 4.39Å; I118-W132 PolarHBondContact N-O 3.01Å; I118-W132 PolarHBondContact O-N 2.8Å; C120-W132 HydrophobicContact CB-CZ3 4.13Å; R130-W132 HydrophobicContact CB-CE3 4.49Å; R130-W132 HydrophobicContact CB-CZ3 4.38Å; W132-G134 PolarHBondContact O-N 3.18Å; W132-L151 HydrophobicContact CH2-CD2 4.18Å; W132-L151 HydrophobicContact CZ2-CD2 3.81Å; W132-W161 AromaticContact CD1-CZ3 3.93Å; W132-W161 AromaticContact NE1-CD2 3.81Å; W132-W161 AromaticContact NE1-CE3 3.68Å; W132-W161 AromaticContact NE1-CZ3 3.94Å; W132-L163 HydrophobicContact CH2-CD2 4.39Å; W132-N166 HydrophobicContact CD2-CB 4.42Å
133	K	91.8	Very high	90.5	Very high	132 Å²	132	62 Å²	62	57%	0.574	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	109.6	173.6	-169.2	176.9	177.6	-167.6	0	108.9	H135 D136	K133-H135 WeakPolarHBondContact CE-O 3.31Å; K133-D136 WeakPolarHBondContact CE-OD1 3.39Å; K133-D136 IonicContact NZ-OD1 2.75Å; K133-D136 PolarHBondContact NZ-OD1 3.3Å
134	G	86.4	Confident	90.9	Very high	3 Å²	3	60.6 Å²	60.6	3%	0.031	31%	0.31	C	S	.	.			trans	-86.3	-46.1	178.1	0	0	0	0	0	112.3	G116 W132 K159 W161	G116-G134 PolarHBondContact O-N 3.26Å; G116-G134 VanDerWaalsContact O-N 3.12Å; W132-G134 PolarHBondContact O-N 3.18Å; G134-K159 PolarHBondContact O-NZ 2.95Å; G134-W161 VanDerWaalsContact CA-CZ2 3.43Å; G134-W161 WeakPolarHBondContact O-CZ2 3.46Å
135	H	91.4	Very high	91.1	Very high	9 Å²	9	52.2 Å²	52.2	4%	0.042	27%	0.274	C	S	.	.			trans	-135.7	164.5	-172.2	-64.6	-79.8	0	0	0	111.3	G116 K133 S137 S153 N157	G116-H135 PolarHBondContact O-N 2.87Å; K133-H135 WeakPolarHBondContact CE-O 3.31Å; H135-S137 VanDerWaalsContact C-N 3.35Å; H135-S137 WeakPolarHBondContact CB-O 3.49Å; H135-S153 PolarHBondContact NE2-O 3.1Å; H135-S153 PolarHBondContact NE2-OG 3.41Å; H135-N157 PolarHBondContact CE1-O 2.95Å; H135-N157 VanDerWaalsContact CE1-O 3.25Å
136	D	90.3	Very high	90.9	Very high	129 Å²	129	49.3 Å²	49.3	69%	0.69	26%	0.261	S	S	*	.	S	Bend	trans	-91.5	-0.8	175.1	-63	-51	0	0	0	113.1	K133	K133-D136 WeakPolarHBondContact CE-OD1 3.39Å; K133-D136 IonicContact NZ-OD1 2.75Å; K133-D136 PolarHBondContact NZ-OD1 3.3Å
137	S	90.7	Very high	90.6	Very high	37 Å²	37	50.5 Å²	50.5	26%	0.259	27%	0.265	S	S	.	.	S	Bend	trans	-141	166.2	178.3	47.2	0	0	0	0	109.4	G116 H135 V139 S155	G116-S137 WeakPolarHBondContact CA-O 3.34Å; H135-S137 VanDerWaalsContact C-N 3.35Å; H135-S137 WeakPolarHBondContact CB-O 3.49Å; S137-V139 PolarHBondContact O-N 2.99Å; S137-S155 PolarHBondContact O-OG 2.82Å; S137-S155 PolarHBondContact OG-OG 3.46Å
138	S	92.6	Very high	90.2	Very high	53 Å²	53	44.1 Å²	44.1	37%	0.371	24%	0.241	S	C	.	.			trans	-39.9	130.5	177	-177.3	0	0	0	0	112.6	S114 G140 S155	S114-S138 WeakPolarHBondContact O-CA 3.37Å; S114-S138 WeakPolarHBondContact O-CB 3.26Å; S114-S138 PolarHBondContact O-N 2.99Å; S138-G140 PolarHBondContact O-N 3.36Å; S138-S155 WeakPolarHBondContact O-CB 3.22Å; S138-S155 PolarHBondContact O-OG 3.17Å
139	V	94.5	Very high	90	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.			trans	-76.2	115.1	172.5	-171.2	0	0	0	0	107.1	T99 S113 I118 S137 I142 A154	T99-V139 VanDerWaalsContact CB-O 3.24Å; T99-V139 WeakPolarHBondContact CB-O 3.38Å; T99-V139 PolarHBondContact OG1-O 2.93Å; S113-V139 PolarHBondContact O-N 3.2Å; I118-V139 HydrophobicContact CG1-CG2 4.35Å; S137-V139 PolarHBondContact O-N 2.99Å; V139-I142 HydrophobicContact CG1-CD1 3.95Å; V139-I142 HydrophobicContact CG1-CG1 3.56Å; V139-A154 CarbonylContact C-O 3.58Å; V139-A154 WeakPolarHBondContact CA-O 3.43Å; V139-A154 WeakPolarHBondContact CG1-O 3.44Å
140	G	93.2	Very high	90.1	Very high	24 Å²	24	41 Å²	41	25%	0.247	22%	0.223	C	C	.	.			trans	-78.1	-37.9	-179.1	0	0	0	0	0	112.6	S138 A154 V179 S180	S138-G140 PolarHBondContact O-N 3.36Å; G140-A154 PolarHBondContact N-O 3.28Å; G140-V179 WeakPolarHBondContact CA-O 3.34Å; G140-S180 CarbonylContact C-O 3.57Å
141	S	94	Very high	90.2	Very high	14 Å²	14	35.4 Å²	35.4	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.6	-178.6	-159.1	0	0	0	0	111.8	S153 A154 L182	S141-S153 WeakPolarHBondContact O-CA 3.27Å; S141-A154 PolarHBondContact O-N 3.47Å; S141-L182 PolarHBondContact OG-N 2.8Å
142	I	95.2	Very high	90.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.7	174.1	-66	-174.3	0	0	0	108.6	S100 F110 G112 I118 V139 L151 L152	S100-I142 PolarHBondContact OG-N 2.98Å; F110-I142 HydrophobicContact CB-CG2 4.22Å; G112-I142 VanDerWaalsContact CA-CD1 3.44Å; G112-I142 VanDerWaalsContact N-CD1 3.28Å; I118-I142 HydrophobicContact CG1-CD1 4.07Å; I118-I142 HydrophobicContact CG2-CD1 3.94Å; V139-I142 HydrophobicContact CG1-CD1 3.95Å; V139-I142 HydrophobicContact CG1-CG1 3.56Å; I142-L151 HydrophobicContact CG2-CD1 3.43Å; I142-L151 VanDerWaalsContact CG2-CD1 3.43Å; I142-L151 HydrophobicContact CG2-CD2 4.1Å; I142-L151 HydrophobicContact CG2-CG 3.88Å; I142-L152 CarbonylContact C-O 3.58Å; I142-L152 VanDerWaalsContact CA-O 3.27Å; I142-L152 WeakPolarHBondContact CA-O 3.42Å
143	R	94.9	Very high	90.4	Very high	40 Å²	40	30.5 Å²	30.5	15%	0.151	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	128.9	171.8	-74	-61.3	-179.7	179.2	-10.4	112.1	E5 D102 L152 L182 L184	E5-R143 IonicContact OE1-CZ 3.94Å; E5-R143 IonicContact OE1-NH1 2.75Å; E5-R143 PolarHBondContact OE1-NH1 3.22Å; E5-R143 VanDerWaalsContact OE1-NH1 3.08Å; E5-R143 IonicContact OE1-NH2 3.22Å; E5-R143 PolarHBondContact OE1-NH2 2.98Å; D102-R143 IonicContact OD1-CZ 3.58Å; D102-R143 IonicContact OD1-NH1 2.61Å; D102-R143 PolarHBondContact OD1-NH1 3.34Å; D102-R143 VanDerWaalsContact OD2-CA 3.27Å; D102-R143 WeakPolarHBondContact OD2-CA 3.42Å; D102-R143 WeakPolarHBondContact OD2-CD 3.25Å; R143-L152 PolarHBondContact N-O 3.14Å; R143-L152 PolarHBondContact O-N 3.49Å; R143-L182 HydrophobicContact CG-CB 4.26Å; R143-L182 WeakPolarHBondContact CG-O 3.41Å; R143-L184 HydrophobicContact CB-CD1 4.22Å; R143-L184 HydrophobicContact CB-CG 4.46Å
144	C	92.3	Very high	90.5	Very high	12 Å²	12	24.2 Å²	24.2	8%	0.081	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	144.4	169.6	-69.6	0	0	0	0	110.3	D102 F110 L151 L184	D102-C144 PolarHBondContact OD2-N 3.26Å; F110-C144 WeakPolarHBondContact CD2-SG 3.19Å; C144-L151 HydrophobicContact CB-CD1 4.43Å; C144-L151 WeakPolarHBondContact SG-CD1 3.24Å; C144-L184 WeakPolarHBondContact O-CD1 3.41Å
145	T	89	Confident	90.8	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.031	15%	0.152	C	C	.	.			trans	-71.9	152.1	168.5	57.9	0	0	0	0	110.4	T147 G148 E150 L160 L184 F212	T145-T147 PolarHBondContact O-N 3.05Å; T145-T147 VanDerWaalsContact O-N 3.13Å; T145-T147 PolarHBondContact OG1-OG1 3.06Å; T145-G148 PolarHBondContact O-N 3.26Å; T145-E150 WeakPolarHBondContact CB-OE2 3.11Å; T145-E150 HydrophobicContact CG2-CB 3.79Å; T145-E150 PolarHBondContact N-O 3.42Å; T145-E150 PolarHBondContact OG1-N 2.95Å; T145-E150 VanDerWaalsContact OG1-N 3.16Å; T145-E150 PolarHBondContact OG1-O 3.07Å; T145-E150 VanDerWaalsContact OG1-O 3.1Å; T145-E150 PolarHBondContact OG1-OE2 2.86Å; T145-L160 HydrophobicContact CG2-CD1 4.47Å; T145-L184 HydrophobicContact CG2-CD1 4.44Å; T145-F212 HydrophobicContact CG2-CE2 3.62Å; T145-F212 HydrophobicContact CG2-CZ 3.76Å
146	P	79.6	Confident	90.8	Very high	48 Å²	48	30.8 Å²	30.8	31%	0.312	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.6	179.2	25.2	-35.4	0	0	0	113.3	G148 W186	P146-G148 VanDerWaalsContact C-N 3.28Å; P146-W186 HydrophobicContact CB-CD2 4.21Å; P146-W186 HydrophobicContact CB-CH2 4.41Å; P146-W186 HydrophobicContact CB-CZ2 3.94Å; P146-W186 HydrophobicContact CG-CD2 3.82Å; P146-W186 HydrophobicContact CG-CE3 4.26Å; P146-W186 HydrophobicContact CG-CG 3.98Å; P146-W186 HydrophobicContact CG-CZ2 4.48Å
147	T	79.6	Confident	90.9	Very high	60 Å²	60	27.6 Å²	27.6	37%	0.368	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.2	174.3	63.9	0	0	0	0	112.6	T145 S149 E150	T145-T147 PolarHBondContact O-N 3.05Å; T145-T147 VanDerWaalsContact O-N 3.13Å; T145-T147 PolarHBondContact OG1-OG1 3.06Å; T147-S149 PolarHBondContact O-N 3.4Å; T147-S149 PolarHBondContact OG1-N 3.32Å; T147-E150 PolarHBondContact OG1-OE2 2.8Å
148	G	81.2	Confident	91.1	Very high	15 Å²	15	25.9 Å²	25.9	16%	0.155	15%	0.147	C	C	.	.	S	Bend	trans	67	14.1	-174.9	0	0	0	0	0	114.3	T145 P146 L163	T145-G148 PolarHBondContact O-N 3.26Å; P146-G148 VanDerWaalsContact C-N 3.28Å; G148-L163 WeakPolarHBondContact O-CD1 3.21Å
149	S	87.1	Confident	91.2	Very high	41 Å²	41	25.6 Å²	25.6	29%	0.287	14%	0.139	S	C	.	.	S	Bend	trans	-97	-26	179.2	-62.9	0	0	0	0	112.4	T147 L163	T147-S149 PolarHBondContact O-N 3.4Å; T147-S149 PolarHBondContact OG1-N 3.32Å; S149-L163 WeakPolarHBondContact O-CB 3.41Å; S149-L163 PolarHBondContact O-N 2.95Å
150	E	90.9	Very high	91.1	Very high	18 Å²	18	25.6 Å²	25.6	8%	0.084	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.4	-176.7	-46.8	83.5	-173.8	0	0	112.9	T145 T147 L160 W161 L169 L214	T145-E150 WeakPolarHBondContact CB-OE2 3.11Å; T145-E150 HydrophobicContact CG2-CB 3.79Å; T145-E150 PolarHBondContact N-O 3.42Å; T145-E150 PolarHBondContact OG1-N 2.95Å; T145-E150 VanDerWaalsContact OG1-N 3.16Å; T145-E150 PolarHBondContact OG1-O 3.07Å; T145-E150 VanDerWaalsContact OG1-O 3.1Å; T145-E150 PolarHBondContact OG1-OE2 2.86Å; T147-E150 PolarHBondContact OG1-OE2 2.8Å; E150-L160 HydrophobicContact CB-CD1 3.65Å; E150-L160 HydrophobicContact CB-CG 4.25Å; E150-L160 HydrophobicContact CG-CD1 4.41Å; E150-W161 CarbonylContact C-O 3.6Å; E150-W161 WeakPolarHBondContact CA-O 3.22Å; E150-W161 WeakPolarHBondContact CB-O 3.41Å; E150-L169 HydrophobicContact CG-CD1 4.19Å; E150-L214 HydrophobicContact CG-CD2 4.08Å
151	L	93.6	Very high	91.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.6	177.2	-172.6	76.6	0	0	0	109.8	F110 I118 W132 I142 C144 L160 W161 L163	F110-L151 HydrophobicContact CB-CD1 4Å; F110-L151 HydrophobicContact CB-CD2 4.43Å; F110-L151 HydrophobicContact CD1-CD1 4.3Å; F110-L151 HydrophobicContact CD1-CD2 3.94Å; F110-L151 HydrophobicContact CD2-CD1 4.09Å; F110-L151 HydrophobicContact CG-CD1 3.84Å; F110-L151 HydrophobicContact CG-CD2 4.24Å; I118-L151 HydrophobicContact CD1-CD2 4.46Å; I118-L151 HydrophobicContact CG2-CD2 3.79Å; W132-L151 HydrophobicContact CH2-CD2 4.18Å; W132-L151 HydrophobicContact CZ2-CD2 3.81Å; I142-L151 HydrophobicContact CG2-CD1 3.43Å; I142-L151 VanDerWaalsContact CG2-CD1 3.43Å; I142-L151 HydrophobicContact CG2-CD2 4.1Å; I142-L151 HydrophobicContact CG2-CG 3.88Å; C144-L151 HydrophobicContact CB-CD1 4.43Å; C144-L151 WeakPolarHBondContact SG-CD1 3.24Å; L151-L160 CarbonylContact O-C 3.41Å; L151-L160 WeakPolarHBondContact O-CA 3.43Å; L151-W161 HydrophobicContact CB-CB 4.25Å; L151-W161 PolarHBondContact N-O 3.4Å; L151-W161 VanDerWaalsContact O-CD1 3.3Å; L151-W161 PolarHBondContact O-N 3.12Å; L151-L163 HydrophobicContact CB-CD2 3.7Å; L151-L163 HydrophobicContact CB-CG 4.18Å; L151-L163 HydrophobicContact CD2-CD2 4.33Å; L151-L163 HydrophobicContact CG-CD2 4.48Å
152	L	94.8	Very high	91	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134	166.9	-73	169.2	0	0	0	109.7	I142 R143 I158 K159 L160 F172 L182 L184 I197	I142-L152 CarbonylContact C-O 3.58Å; I142-L152 VanDerWaalsContact CA-O 3.27Å; I142-L152 WeakPolarHBondContact CA-O 3.42Å; R143-L152 PolarHBondContact N-O 3.14Å; R143-L152 PolarHBondContact O-N 3.49Å; L152-I158 HydrophobicContact CD2-CG2 3.99Å; L152-K159 CarbonylContact C-O 3.56Å; L152-K159 WeakPolarHBondContact CA-O 3.31Å; L152-L160 HydrophobicContact CD2-CB 3.91Å; L152-L160 HydrophobicContact CD2-CD1 3.56Å; L152-L160 HydrophobicContact CD2-CG 4.34Å; L152-L160 HydrophobicContact CG-CD1 3.8Å; L152-F172 HydrophobicContact CD2-CE2 4.14Å; L152-L182 HydrophobicContact CB-CD1 4.28Å; L152-L184 HydrophobicContact CD1-CD1 4.1Å; L152-L184 HydrophobicContact CD1-CD2 3.49Å; L152-L184 VanDerWaalsContact CD1-CD2 3.49Å; L152-L184 HydrophobicContact CD1-CG 4.02Å; L152-I197 HydrophobicContact CD1-CD1 3.73Å; L152-I197 HydrophobicContact CD1-CG1 3.81Å; L152-I197 HydrophobicContact CD1-CG2 4.06Å; L152-I197 HydrophobicContact CD2-CD1 3.89Å; L152-I197 HydrophobicContact CG-CD1 4.5Å
153	S	95.3	Very high	90.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.7	168.7	61.9	0	0	0	0	111.1	I118 H135 S141 I158 K159 W161	I118-S153 WeakPolarHBondContact CD1-OG 3.37Å; H135-S153 PolarHBondContact NE2-O 3.1Å; H135-S153 PolarHBondContact NE2-OG 3.41Å; S141-S153 WeakPolarHBondContact O-CA 3.27Å; S153-I158 CarbonylContact O-C 3.6Å; S153-I158 WeakPolarHBondContact O-CA 3.23Å; S153-K159 PolarHBondContact N-O 2.81Å; S153-K159 PolarHBondContact O-N 3.04Å; S153-W161 PolarHBondContact OG-NE1 3.28Å
154	A	94.2	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.3	-179.1	0	0	0	0	0	110.8	V139 G140 S141 I158 V179 L182	V139-A154 CarbonylContact C-O 3.58Å; V139-A154 WeakPolarHBondContact CA-O 3.43Å; V139-A154 WeakPolarHBondContact CG1-O 3.44Å; G140-A154 PolarHBondContact N-O 3.28Å; S141-A154 PolarHBondContact O-N 3.47Å; A154-I158 HydrophobicContact CB-CG1 4.36Å; A154-V179 HydrophobicContact CB-CB 3.7Å; A154-V179 HydrophobicContact CB-CG1 3.54Å; A154-L182 HydrophobicContact CB-CD1 3.32Å; A154-L182 HydrophobicContact CB-CD2 4.28Å; A154-L182 HydrophobicContact CB-CG 3.59Å
155	S	93.1	Very high	90.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	18%	0.181	C	C	.	.	S	Bend	trans	-139.5	-128.2	159.5	-169	0	0	0	0	106.9	S137 S138 N157 V179	S137-S155 PolarHBondContact O-OG 2.82Å; S137-S155 PolarHBondContact OG-OG 3.46Å; S138-S155 WeakPolarHBondContact O-CB 3.22Å; S138-S155 PolarHBondContact O-OG 3.17Å; S155-N157 PolarHBondContact N-O 3.18Å; S155-N157 PolarHBondContact O-N 3.45Å; S155-V179 WeakPolarHBondContact O-CB 3.46Å; S155-V179 WeakPolarHBondContact O-CG2 3.35Å; S155-V179 PolarHBondContact O-N 3.37Å
156	R	91	Very high	90	Very high	149 Å²	149	37.3 Å²	37.3	56%	0.562	19%	0.192	S	C	*	.	S	Bend	trans	-61.4	-33	166.1	-73.4	-172.9	-83.2	179.1	-5.3	113.2
157	N	92.3	Very high	90.6	Very high	62 Å²	62	38.9 Å²	38.9	33%	0.332	20%	0.201	S	C	.	.	S	Bend	trans	-118.2	155.6	171.2	-65.7	-48	0	0	0	109.1	H135 S155 T171	H135-N157 PolarHBondContact CE1-O 2.95Å; H135-N157 VanDerWaalsContact CE1-O 3.25Å; S155-N157 PolarHBondContact N-O 3.18Å; S155-N157 PolarHBondContact O-N 3.45Å; N157-T171 HydrophobicContact CB-CG2 4Å
158	I	94.8	Very high	91.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.5	170.5	-52.9	159	0	0	0	107.2	L152 S153 A154 T171 F172 V179 L182	L152-I158 HydrophobicContact CD2-CG2 3.99Å; S153-I158 CarbonylContact O-C 3.6Å; S153-I158 WeakPolarHBondContact O-CA 3.23Å; A154-I158 HydrophobicContact CB-CG1 4.36Å; I158-T171 CarbonylContact O-C 3.55Å; I158-T171 WeakPolarHBondContact O-CA 3.27Å; I158-F172 HydrophobicContact CB-CB 4.04Å; I158-F172 HydrophobicContact CB-CD2 4.01Å; I158-F172 HydrophobicContact CB-CG 4.4Å; I158-F172 HydrophobicContact CG2-CD2 3.96Å; I158-F172 PolarHBondContact N-O 3.4Å; I158-F172 PolarHBondContact O-N 2.82Å; I158-V179 HydrophobicContact CD1-CG2 4.49Å; I158-V179 HydrophobicContact CG1-CG2 4.18Å; I158-L182 HydrophobicContact CD1-CD2 3.72Å; I158-L182 HydrophobicContact CG1-CD2 4.07Å; I158-L182 HydrophobicContact CG2-CD1 3.99Å; I158-L182 HydrophobicContact CG2-CD2 4.39Å
159	K	94.2	Very high	91.6	Very high	47 Å²	47	40 Å²	40	20%	0.204	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.9	177.1	-72.2	-179.2	179.7	179.7	0	109.9	G134 L152 S153 W161 T170 T171	G134-K159 PolarHBondContact O-NZ 2.95Å; L152-K159 CarbonylContact C-O 3.56Å; L152-K159 WeakPolarHBondContact CA-O 3.31Å; S153-K159 PolarHBondContact N-O 2.81Å; S153-K159 PolarHBondContact O-N 3.04Å; K159-W161 HydrophobicContact CB-CZ2 4.03Å; K159-W161 HydrophobicContact CD-CH2 4.18Å; K159-W161 HydrophobicContact CD-CZ2 3.46Å; K159-W161 VanDerWaalsContact CD-CZ2 3.46Å; K159-W161 HydrophobicContact CG-CZ2 4.42Å; K159-T170 WeakPolarHBondContact CA-O 3.33Å; K159-T171 HydrophobicContact CG-CG2 4.24Å
160	L	93.9	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.8	168.2	-175	68	0	0	0	108.9	T145 E150 L151 L152 C168 L169 T170 F172 F212 Q213 L214	T145-L160 HydrophobicContact CG2-CD1 4.47Å; E150-L160 HydrophobicContact CB-CD1 3.65Å; E150-L160 HydrophobicContact CB-CG 4.25Å; E150-L160 HydrophobicContact CG-CD1 4.41Å; L151-L160 CarbonylContact O-C 3.41Å; L151-L160 WeakPolarHBondContact O-CA 3.43Å; L152-L160 HydrophobicContact CD2-CB 3.91Å; L152-L160 HydrophobicContact CD2-CD1 3.56Å; L152-L160 HydrophobicContact CD2-CG 4.34Å; L152-L160 HydrophobicContact CG-CD1 3.8Å; L160-C168 CarbonylContact O-C 3.58Å; L160-C168 WeakPolarHBondContact O-CA 3.3Å; L160-L169 HydrophobicContact CD2-CB 4.36Å; L160-L169 HydrophobicContact CD2-CD1 4.3Å; L160-L169 HydrophobicContact CG-CB 4.42Å; L160-L169 HydrophobicContact CG-CD1 4.42Å; L160-L169 PolarHBondContact O-N 3.32Å; L160-T170 WeakPolarHBondContact CB-OG1 3.48Å; L160-T170 PolarHBondContact N-O 3.22Å; L160-T170 PolarHBondContact O-N 3.06Å; L160-F172 HydrophobicContact CB-CE2 4.37Å; L160-F212 HydrophobicContact CD1-CE2 3.79Å; L160-F212 HydrophobicContact CD1-CZ 4.14Å; L160-F212 HydrophobicContact CD2-CE2 4.14Å; L160-F212 HydrophobicContact CD2-CZ 4.04Å; L160-Q213 WeakPolarHBondContact CD2-O 3.39Å; L160-L214 HydrophobicContact CD2-CD2 4.26Å
161	W	93.8	Very high	91.9	Very high	16 Å²	16	38.9 Å²	38.9	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.4	-177.3	-57.2	85.5	0	0	0	110	W132 G134 E150 L151 S153 K159 V167 C168	W132-W161 AromaticContact CD1-CZ3 3.93Å; W132-W161 AromaticContact NE1-CD2 3.81Å; W132-W161 AromaticContact NE1-CE3 3.68Å; W132-W161 AromaticContact NE1-CZ3 3.94Å; G134-W161 VanDerWaalsContact CA-CZ2 3.43Å; G134-W161 WeakPolarHBondContact O-CZ2 3.46Å; E150-W161 CarbonylContact C-O 3.6Å; E150-W161 WeakPolarHBondContact CA-O 3.22Å; E150-W161 WeakPolarHBondContact CB-O 3.41Å; L151-W161 HydrophobicContact CB-CB 4.25Å; L151-W161 PolarHBondContact N-O 3.4Å; L151-W161 VanDerWaalsContact O-CD1 3.3Å; L151-W161 PolarHBondContact O-N 3.12Å; S153-W161 PolarHBondContact OG-NE1 3.28Å; K159-W161 HydrophobicContact CB-CZ2 4.03Å; K159-W161 HydrophobicContact CD-CH2 4.18Å; K159-W161 HydrophobicContact CD-CZ2 3.46Å; K159-W161 VanDerWaalsContact CD-CZ2 3.46Å; K159-W161 HydrophobicContact CG-CZ2 4.42Å; W161-V167 WeakPolarHBondContact CA-O 3.44Å; W161-C168 HydrophobicContact CD2-CB 4.38Å; W161-C168 HydrophobicContact CE3-CB 3.97Å; W161-C168 HydrophobicContact CH2-CB 4.05Å; W161-C168 HydrophobicContact CZ2-CB 4.43Å; W161-C168 HydrophobicContact CZ3-CB 3.8Å
162	D	91.2	Very high	91.8	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.193	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.8	163.4	170.3	24.1	0	0	0	109.2	K164 S165 N166 V167 L169	D162-K164 PolarHBondContact O-N 2.83Å; D162-K164 PolarHBondContact OD1-N 3.21Å; D162-S165 WeakPolarHBondContact CB-OG 3.5Å; D162-S165 WeakPolarHBondContact OD2-CB 3.48Å; D162-S165 PolarHBondContact OD2-N 2.89Å; D162-S165 PolarHBondContact OD2-OG 3.41Å; D162-N166 WeakPolarHBondContact O-CA 3.34Å; D162-N166 PolarHBondContact O-N 2.91Å; D162-V167 PolarHBondContact N-O 3.23Å; D162-L169 HydrophobicContact CB-CD1 3.99Å; D162-L169 HydrophobicContact CB-CD2 4.08Å; D162-L169 HydrophobicContact CB-CG 3.98Å
163	L	88.5	Confident	91.6	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.068	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.1	-178.3	-70.7	175.2	0	0	0	113.3	F110 R130 W132 G148 S149 L151	F110-L163 HydrophobicContact CD1-CD2 4.24Å; F110-L163 HydrophobicContact CE1-CD2 3.38Å; F110-L163 HydrophobicContact CE2-CD1 4.12Å; F110-L163 HydrophobicContact CE2-CD2 4.2Å; F110-L163 HydrophobicContact CZ-CD1 3.88Å; F110-L163 HydrophobicContact CZ-CD2 3.36Å; F110-L163 HydrophobicContact CZ-CG 4.21Å; R130-L163 PolarHBondContact NH1-O 2.85Å; R130-L163 VanDerWaalsContact NH1-O 3.1Å; W132-L163 HydrophobicContact CH2-CD2 4.39Å; G148-L163 WeakPolarHBondContact O-CD1 3.21Å; S149-L163 WeakPolarHBondContact O-CB 3.41Å; S149-L163 PolarHBondContact O-N 2.95Å; L151-L163 HydrophobicContact CB-CD2 3.7Å; L151-L163 HydrophobicContact CB-CG 4.18Å; L151-L163 HydrophobicContact CD2-CD2 4.33Å; L151-L163 HydrophobicContact CG-CD2 4.48Å
164	K	87.7	Confident	91.1	Very high	170 Å²	170	42.1 Å²	42.1	74%	0.739	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-47.6	177.9	-67.5	-179.1	-178.6	173.2	0	111.8	D162	D162-K164 PolarHBondContact O-N 2.83Å; D162-K164 PolarHBondContact OD1-N 3.21Å
165	S	87.1	Confident	90.7	Very high	58 Å²	58	43 Å²	43	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-14	-177	62.6	0	0	0	0	114.2	D162 V167	D162-S165 WeakPolarHBondContact CB-OG 3.5Å; D162-S165 WeakPolarHBondContact OD2-CB 3.48Å; D162-S165 PolarHBondContact OD2-N 2.89Å; D162-S165 PolarHBondContact OD2-OG 3.41Å; S165-V167 PolarHBondContact O-N 2.92Å; S165-V167 PolarHBondContact OG-N 3.45Å
166	N	87.2	Confident	90.4	Very high	49 Å²	49	51.6 Å²	51.6	26%	0.262	27%	0.27	S	S	.	.			trans	55.4	26.9	-169.1	-50	-51.7	0	0	0	113.2	W132 D162	W132-N166 HydrophobicContact CD2-CB 4.42Å; D162-N166 WeakPolarHBondContact O-CA 3.34Å; D162-N166 PolarHBondContact O-N 2.91Å
167	V	90.3	Very high	90.3	Very high	82 Å²	82	45.3 Å²	45.3	50%	0.497	25%	0.25	S	C	.	.			trans	-94.3	139.2	178.2	178	0	0	0	0	109.9	W161 D162 S165 L169	W161-V167 WeakPolarHBondContact CA-O 3.44Å; D162-V167 PolarHBondContact N-O 3.23Å; S165-V167 PolarHBondContact O-N 2.92Å; S165-V167 PolarHBondContact OG-N 3.45Å; V167-L169 PolarHBondContact O-N 3.22Å
168	C	90.8	Very high	90.3	Very high	43 Å²	43	45.7 Å²	45.7	29%	0.291	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	112.9	172	-177.6	0	0	0	0	109.6	L160 W161 T170	L160-C168 CarbonylContact O-C 3.58Å; L160-C168 WeakPolarHBondContact O-CA 3.3Å; W161-C168 HydrophobicContact CD2-CB 4.38Å; W161-C168 HydrophobicContact CE3-CB 3.97Å; W161-C168 HydrophobicContact CH2-CB 4.05Å; W161-C168 HydrophobicContact CZ2-CB 4.43Å; W161-C168 HydrophobicContact CZ3-CB 3.8Å; C168-T170 PolarHBondContact SG-O 3.07Å; C168-T170 VanDerWaalsContact SG-O 3.42Å
169	L	91.3	Very high	90.2	Very high	56 Å²	56	45.8 Å²	45.8	29%	0.293	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-49.2	179.4	-67.4	-178.2	0	0	0	112.2	E150 L160 D162 V167 L214	E150-L169 HydrophobicContact CG-CD1 4.19Å; L160-L169 HydrophobicContact CD2-CB 4.36Å; L160-L169 HydrophobicContact CD2-CD1 4.3Å; L160-L169 HydrophobicContact CG-CB 4.42Å; L160-L169 HydrophobicContact CG-CD1 4.42Å; L160-L169 PolarHBondContact O-N 3.32Å; D162-L169 HydrophobicContact CB-CD1 3.99Å; D162-L169 HydrophobicContact CB-CD2 4.08Å; D162-L169 HydrophobicContact CB-CG 3.98Å; V167-L169 PolarHBondContact O-N 3.22Å; L169-L214 WeakPolarHBondContact CB-O 3.08Å
170	T	92	Very high	90.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.3	-179.3	62.3	0	0	0	0	111.7	K159 L160 C168 F172 Q213 L214 K215 G216	K159-T170 WeakPolarHBondContact CA-O 3.33Å; L160-T170 WeakPolarHBondContact CB-OG1 3.48Å; L160-T170 PolarHBondContact N-O 3.22Å; L160-T170 PolarHBondContact O-N 3.06Å; C168-T170 PolarHBondContact SG-O 3.07Å; C168-T170 VanDerWaalsContact SG-O 3.42Å; T170-F172 WeakPolarHBondContact OG1-CE2 3.47Å; T170-Q213 WeakPolarHBondContact CG2-O 2.96Å; T170-Q213 PolarHBondContact OG1-O 3.12Å; T170-L214 WeakPolarHBondContact CG2-O 3.06Å; T170-K215 VanDerWaalsContact CG2-C 3.45Å; T170-K215 VanDerWaalsContact CG2-CA 3.46Å; T170-K215 VanDerWaalsContact CG2-N 3.33Å; T170-G216 VanDerWaalsContact CA-O 3.28Å; T170-G216 WeakPolarHBondContact CA-O 3.47Å; T170-G216 VanDerWaalsContact CB-O 3.31Å; T170-G216 WeakPolarHBondContact CB-O 3.38Å; T170-G216 WeakPolarHBondContact CG2-O 3.37Å
171	T	92.6	Very high	90	Very high	34 Å²	34	48.4 Å²	48.4	21%	0.209	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.2	173.1	-55.6	0	0	0	0	108.4	N157 I158 K159 V218	N157-T171 HydrophobicContact CB-CG2 4Å; I158-T171 CarbonylContact O-C 3.55Å; I158-T171 WeakPolarHBondContact O-CA 3.27Å; K159-T171 HydrophobicContact CG-CG2 4.24Å; T171-V218 PolarHBondContact O-N 3.05Å
172	F	92.7	Very high	90	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.4	171.1	-46.8	-99.1	0	0	0	108.4	L152 I158 L160 T170 I197 W210 P211 V218	L152-F172 HydrophobicContact CD2-CE2 4.14Å; I158-F172 HydrophobicContact CB-CB 4.04Å; I158-F172 HydrophobicContact CB-CD2 4.01Å; I158-F172 HydrophobicContact CB-CG 4.4Å; I158-F172 HydrophobicContact CG2-CD2 3.96Å; I158-F172 PolarHBondContact N-O 3.4Å; I158-F172 PolarHBondContact O-N 2.82Å; L160-F172 HydrophobicContact CB-CE2 4.37Å; T170-F172 WeakPolarHBondContact OG1-CE2 3.47Å; F172-I197 HydrophobicContact CE1-CD1 4.1Å; F172-I197 HydrophobicContact CE2-CD1 3.84Å; F172-I197 HydrophobicContact CZ-CD1 3.59Å; F172-W210 HydrophobicContact CB-CD2 4.21Å; F172-W210 HydrophobicContact CB-CE3 4.01Å; F172-W210 HydrophobicContact CB-CZ3 4.19Å; F172-W210 HydrophobicContact CD1-CB 4.03Å; F172-W210 HydrophobicContact CD1-CD2 4.16Å; F172-W210 AromaticContact CD1-CE3 3.85Å; F172-W210 HydrophobicContact CD1-CE3 3.85Å; F172-W210 HydrophobicContact CD1-CG 4.26Å; F172-W210 HydrophobicContact CE1-CB 4.28Å; F172-W210 HydrophobicContact CG-CE3 4.4Å; F172-P211 VanDerWaalsContact CE1-O 3.3Å; F172-P211 WeakPolarHBondContact CE1-O 3.33Å; F172-V218 CarbonylContact C-O 3.51Å; F172-V218 VanDerWaalsContact CA-O 3.27Å; F172-V218 WeakPolarHBondContact CA-O 3.16Å; F172-V218 HydrophobicContact CD1-CB 3.51Å; F172-V218 HydrophobicContact CD1-CG1 3.9Å; F172-V218 HydrophobicContact CD1-CG2 3.88Å; F172-V218 HydrophobicContact CE1-CB 3.91Å; F172-V218 HydrophobicContact CE1-CG1 4.34Å; F172-V218 HydrophobicContact CE1-CG2 3.71Å; F172-V218 HydrophobicContact CG-CB 4.36Å
173	S	89.6	Confident	90.1	Very high	27 Å²	27	48.3 Å²	48.3	19%	0.189	27%	0.271	C	S	.	.			trans	-124.4	142.8	-177.3	57.6	0	0	0	0	109.1	W210 V218 R219	S173-W210 WeakPolarHBondContact O-CH2 3.23Å; S173-V218 PolarHBondContact N-O 2.74Å; S173-R219 CarbonylContact O-C 3.6Å; S173-R219 VanDerWaalsContact O-C 3.29Å; S173-R219 VanDerWaalsContact O-CA 3.31Å; S173-R219 WeakPolarHBondContact O-CA 3.5Å
174	G	85.3	Confident	90.2	Very high	41 Å²	41	49 Å²	49	42%	0.423	28%	0.275	S	S	.	.			trans	148	-14.3	-179.3	0	0	0	0	0	114.4
175	H	85.9	Confident	90.2	Very high	18 Å²	18	41 Å²	41	8%	0.083	24%	0.24	C	C	.	.			trans	-74.2	136.1	170.2	-69.3	-77.8	0	0	0	110.8	V179 S199 Y208 W210	H175-V179 HydrophobicContact CB-CG2 4.08Å; H175-V179 WeakPolarHBondContact CD2-CG2 3.2Å; H175-S199 PolarHBondContact CE1-OG 2.8Å; H175-S199 PolarHBondContact NE2-OG 3.28Å; H175-Y208 AromaticContact CE1-CD2 3.23Å; H175-Y208 WeakPolarHBondContact CE1-CD2 3.41Å; H175-Y208 AromaticContact CE1-CE2 3.83Å; H175-Y208 AromaticContact CE1-CG 3.64Å; H175-Y208 AromaticContact ND1-CD2 3.57Å; H175-Y208 AromaticContact ND1-CE2 3.67Å; H175-W210 AromaticContact CD2-CZ2 3.85Å; H175-W210 AromaticContact NE2-CE2 3.87Å; H175-W210 AromaticContact NE2-CZ2 3.63Å; H175-W210 AromaticContact NE2-NE1 3.57Å
176	E	86	Confident	89.7	Confident	181 Å²	181	43 Å²	43	85%	0.846	24%	0.239	S	C	*	.	S	Bend	trans	-87.4	-38.5	173.8	-65.1	-174.9	170.3	0	0	111.1
177	A	90.2	Very high	88.8	Confident	18 Å²	18	41.6 Å²	41.6	15%	0.149	23%	0.233	C	C	.	.	S	Bend	trans	-97.7	159	176.4	0	0	0	0	0	112.2	V179 A201	A177-V179 PolarHBondContact O-N 2.98Å; A177-A201 HydrophobicContact CB-CB 4.06Å
178	P	91.6	Very high	87.4	Confident	69 Å²	69	45.4 Å²	45.4	45%	0.448	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-62.6	131.2	174	26.3	-34.2	0	0	0	111.2	S180 K202	P178-S180 PolarHBondContact O-N 3.26Å; P178-K202 PolarHBondContact O-N 3.03Å; P178-K202 VanDerWaalsContact O-N 3.17Å
179	V	93.5	Very high	85.6	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.8	177.9	-179.9	0	0	0	0	109.3	G140 A154 S155 I158 H175 A177 L182 A200	G140-V179 WeakPolarHBondContact CA-O 3.34Å; A154-V179 HydrophobicContact CB-CB 3.7Å; A154-V179 HydrophobicContact CB-CG1 3.54Å; S155-V179 WeakPolarHBondContact O-CB 3.46Å; S155-V179 WeakPolarHBondContact O-CG2 3.35Å; S155-V179 PolarHBondContact O-N 3.37Å; I158-V179 HydrophobicContact CD1-CG2 4.49Å; I158-V179 HydrophobicContact CG1-CG2 4.18Å; H175-V179 HydrophobicContact CB-CG2 4.08Å; H175-V179 WeakPolarHBondContact CD2-CG2 3.2Å; A177-V179 PolarHBondContact O-N 2.98Å; V179-L182 HydrophobicContact CG1-CD2 4.01Å; V179-L182 HydrophobicContact CG1-CG 4.21Å; V179-A200 CarbonylContact C-O 3.56Å; V179-A200 WeakPolarHBondContact CG1-O 3.39Å
180	S	91.9	Very high	83.6	Confident	45 Å²	45	48.8 Å²	48.8	32%	0.315	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-38.1	-179.3	49.1	0	0	0	0	112.4	G140 P178 A200	G140-S180 CarbonylContact C-O 3.57Å; P178-S180 PolarHBondContact O-N 3.26Å; S180-A200 PolarHBondContact N-O 3.25Å; S180-A200 PolarHBondContact OG-O 2.86Å
181	E	91.7	Very high	81.5	Confident	57 Å²	57	52.5 Å²	52.5	27%	0.266	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.1	-173.5	-71.5	-169.3	169.8	0	0	112	S199 A200 G233 F234	E181-S199 WeakPolarHBondContact O-CA 3.24Å; E181-A200 HydrophobicContact CB-CB 4.34Å; E181-A200 PolarHBondContact N-O 3.16Å; E181-A200 PolarHBondContact O-N 3.38Å; E181-G233 WeakPolarHBondContact OE2-CA 3.4Å; E181-F234 HydrophobicContact CB-CD1 4.27Å; E181-F234 HydrophobicContact CB-CE1 3.58Å; E181-F234 HydrophobicContact CB-CZ 4.43Å; E181-F234 WeakPolarHBondContact OE2-CD1 3.41Å; E181-F234 PolarHBondContact OE2-N 3.14Å
182	L	94	Very high	79.5	Confident	2 Å²	2	55 Å²	55	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.5	171.1	-73	179	0	0	0	111.1	S141 R143 L152 A154 I158 V179 I197 S199	S141-L182 PolarHBondContact OG-N 2.8Å; R143-L182 HydrophobicContact CG-CB 4.26Å; R143-L182 WeakPolarHBondContact CG-O 3.41Å; L152-L182 HydrophobicContact CB-CD1 4.28Å; A154-L182 HydrophobicContact CB-CD1 3.32Å; A154-L182 HydrophobicContact CB-CD2 4.28Å; A154-L182 HydrophobicContact CB-CG 3.59Å; I158-L182 HydrophobicContact CD1-CD2 3.72Å; I158-L182 HydrophobicContact CG1-CD2 4.07Å; I158-L182 HydrophobicContact CG2-CD1 3.99Å; I158-L182 HydrophobicContact CG2-CD2 4.39Å; V179-L182 HydrophobicContact CG1-CD2 4.01Å; V179-L182 HydrophobicContact CG1-CG 4.21Å; L182-I197 HydrophobicContact CD2-CG2 4.04Å; L182-S199 VanDerWaalsContact CD2-CB 3.49Å
183	R	93.3	Very high	77.6	Confident	49 Å²	49	63.3 Å²	63.3	19%	0.185	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.3	169.1	-62.4	-67.2	-174.6	173.5	-5.4	110.5	I198 F234 V236	R183-I198 PolarHBondContact N-O 2.98Å; R183-I198 PolarHBondContact O-N 2.84Å; R183-F234 HydrophobicContact CB-CE2 3.59Å; R183-F234 HydrophobicContact CB-CZ 4.01Å; R183-F234 HydrophobicContact CG-CD2 3.92Å; R183-F234 HydrophobicContact CG-CE1 4.42Å; R183-F234 HydrophobicContact CG-CE2 3.29Å; R183-F234 HydrophobicContact CG-CZ 3.59Å; R183-F234 PolarHBondContact NE-O 3.35Å; R183-V236 HydrophobicContact CB-CB 4.31Å; R183-V236 HydrophobicContact CB-CG2 3.58Å; R183-V236 HydrophobicContact CG-CG2 4.04Å
184	L	90.2	Very high	76.4	Confident	27 Å²	27	64.2 Å²	64.2	14%	0.141	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.1	174.4	-76.1	176.8	0	0	0	109.9	R143 C144 T145 L152 W186 I197	R143-L184 HydrophobicContact CB-CD1 4.22Å; R143-L184 HydrophobicContact CB-CG 4.46Å; C144-L184 WeakPolarHBondContact O-CD1 3.41Å; T145-L184 HydrophobicContact CG2-CD1 4.44Å; L152-L184 HydrophobicContact CD1-CD1 4.1Å; L152-L184 HydrophobicContact CD1-CD2 3.49Å; L152-L184 VanDerWaalsContact CD1-CD2 3.49Å; L152-L184 HydrophobicContact CD1-CG 4.02Å; L184-W186 HydrophobicContact CB-CE3 4.4Å; L184-I197 HydrophobicContact CD2-CB 4.26Å; L184-I197 HydrophobicContact CD2-CG1 3.67Å; L184-I197 HydrophobicContact CD2-CG2 4.44Å
185	S	86.4	Confident	76.1	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.1	172.3	-167.2	0	0	0	0	107.9	C195 V196 T238 V253	S185-C195 CarbonylContact O-C 3.56Å; S185-C195 WeakPolarHBondContact O-CA 3.46Å; S185-V196 PolarHBondContact N-O 2.81Å; S185-V196 PolarHBondContact O-N 3.05Å; S185-T238 WeakPolarHBondContact OG-CG2 3.49Å; S185-V253 WeakPolarHBondContact OG-CG1 3.39Å; S185-V253 VanDerWaalsContact OG-CG2 3.29Å; S185-V253 WeakPolarHBondContact OG-CG2 3.25Å
186	W	77.1	Confident	76.2	Confident	101 Å²	101	62.5 Å²	62.5	38%	0.383	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.9	179	71.5	96.7	0	0	0	111.2	P146 L184 C195	P146-W186 HydrophobicContact CB-CD2 4.21Å; P146-W186 HydrophobicContact CB-CH2 4.41Å; P146-W186 HydrophobicContact CB-CZ2 3.94Å; P146-W186 HydrophobicContact CG-CD2 3.82Å; P146-W186 HydrophobicContact CG-CE3 4.26Å; P146-W186 HydrophobicContact CG-CG 3.98Å; P146-W186 HydrophobicContact CG-CZ2 4.48Å; L184-W186 HydrophobicContact CB-CE3 4.4Å; W186-C195 HydrophobicContact CB-CB 4.42Å; W186-C195 WeakPolarHBondContact CB-SG 3.47Å
187	S	69	Low	76.5	Confident	19 Å²	19	53.9 Å²	53.9	13%	0.133	30%	0.304	C	S	.	.			trans	-80.8	146.8	168.8	74	0	0	0	0	109.6	G189 E194	S187-G189 PolarHBondContact O-N 2.8Å; S187-E194 PolarHBondContact OG-OE2 3.1Å
188	N	60.5	Low	76.6	Confident	162 Å²	162	53 Å²	53	87%	0.866	30%	0.297	S	S	*	.	S	Bend	trans	-67.6	8.7	174.8	-74.1	-27.6	0	0	0	113.4
189	G	52.1	Low	76.7	Confident	45 Å²	45	49.8 Å²	49.8	46%	0.464	28%	0.275	S	S	.	.	S	Bend	trans	-70.9	150.7	173.9	0	0	0	0	0	111.4	S187 C191	S187-G189 PolarHBondContact O-N 2.8Å; G189-C191 PolarHBondContact O-N 2.79Å
190	S	50.9	Low	76.6	Confident	125 Å²	125	49.9 Å²	49.9	87%	0.874	28%	0.276	S	S	*	.	S	Bend	trans	-67.4	-0.2	175.9	-57	0	0	0	0	114
191	C	47.1	Very low	76.6	Confident	79 Å²	79	47.9 Å²	47.9	53%	0.534	26%	0.262	S	S	.	.			trans	-92	116	-176.4	-75.7	0	0	0	0	111.5	G189 E193	G189-C191 PolarHBondContact O-N 2.79Å; C191-E193 PolarHBondContact O-N 3.21Å
192	H	50	Low	76.4	Confident	86 Å²	86	52 Å²	52	40%	0.398	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-59.6	-23	174.6	-69.1	-99.1	0	0	0	114.1	E194	H192-E194 PolarHBondContact O-N 2.78Å
193	E	53	Low	76.1	Confident	176 Å²	176	54 Å²	54	82%	0.822	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-74.1	-12.8	-172.1	-63.7	-172.6	157.8	0	0	113.7	C191	C191-E193 PolarHBondContact O-N 3.21Å
194	E	64.7	Low	75.9	Confident	45 Å²	45	53.5 Å²	53.5	21%	0.21	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-101.7	29	-177.9	-68.2	-177.8	-175	0	0	112.9	S187 H192 F251	S187-E194 PolarHBondContact OG-OE2 3.1Å; H192-E194 PolarHBondContact O-N 2.78Å; E194-F251 HydrophobicContact CB-CE1 3.82Å; E194-F251 HydrophobicContact CB-CZ 4.45Å; E194-F251 HydrophobicContact CG-CE1 4.37Å; E194-F251 WeakPolarHBondContact O-CZ 3.35Å
195	C	80	Confident	76	Confident	19 Å²	19	58 Å²	58	13%	0.128	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141	172.1	-66.9	0	0	0	0	110.1	S185 W186 F212	S185-C195 CarbonylContact O-C 3.56Å; S185-C195 WeakPolarHBondContact O-CA 3.46Å; W186-C195 HydrophobicContact CB-CB 4.42Å; W186-C195 WeakPolarHBondContact CB-SG 3.47Å; C195-F212 HydrophobicContact CB-CB 3.36Å; C195-F212 HydrophobicContact CB-CD1 4Å; C195-F212 HydrophobicContact CB-CD2 4.21Å; C195-F212 HydrophobicContact CB-CG 3.61Å; C195-F212 WeakPolarHBondContact O-CB 3.36Å; C195-F212 PolarHBondContact O-N 3.28Å
196	V	86.9	Confident	76.2	Confident	5 Å²	5	63 Å²	63	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.3	177.9	173.1	0	0	0	0	109.7	S185 I198 V209 F251 L269 I271	S185-V196 PolarHBondContact N-O 2.81Å; S185-V196 PolarHBondContact O-N 3.05Å; V196-I198 HydrophobicContact CG1-CG1 4.18Å; V196-V209 HydrophobicContact CG1-CG1 3.25Å; V196-F251 HydrophobicContact CG2-CZ 4.45Å; V196-L269 HydrophobicContact CG1-CD2 4.44Å; V196-I271 HydrophobicContact CB-CD1 4.38Å; V196-I271 HydrophobicContact CG2-CD1 3.52Å; V196-I271 HydrophobicContact CG2-CG1 4.34Å
197	I	91.5	Very high	76.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.4	177.7	-48.7	166.3	0	0	0	107.2	L152 F172 L182 L184 V209 W210 F212	L152-I197 HydrophobicContact CD1-CD1 3.73Å; L152-I197 HydrophobicContact CD1-CG1 3.81Å; L152-I197 HydrophobicContact CD1-CG2 4.06Å; L152-I197 HydrophobicContact CD2-CD1 3.89Å; L152-I197 HydrophobicContact CG-CD1 4.5Å; F172-I197 HydrophobicContact CE1-CD1 4.1Å; F172-I197 HydrophobicContact CE2-CD1 3.84Å; F172-I197 HydrophobicContact CZ-CD1 3.59Å; L182-I197 HydrophobicContact CD2-CG2 4.04Å; L184-I197 HydrophobicContact CD2-CB 4.26Å; L184-I197 HydrophobicContact CD2-CG1 3.67Å; L184-I197 HydrophobicContact CD2-CG2 4.44Å; I197-V209 CarbonylContact O-C 3.59Å; I197-V209 WeakPolarHBondContact O-CA 3.48Å; I197-W210 HydrophobicContact CB-CB 4.16Å; I197-W210 PolarHBondContact N-O 2.86Å; I197-W210 PolarHBondContact O-N 2.86Å; I197-F212 HydrophobicContact CD1-CD2 4.11Å; I197-F212 HydrophobicContact CG1-CD2 4.24Å
198	I	92.7	Very high	78	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.7	175	-57.5	171.5	0	0	0	107.3	R183 V196 Y208 V209 F234 V236 V253 I255	R183-I198 PolarHBondContact N-O 2.98Å; R183-I198 PolarHBondContact O-N 2.84Å; V196-I198 HydrophobicContact CG1-CG1 4.18Å; I198-Y208 WeakPolarHBondContact CA-O 3.21Å; I198-V209 HydrophobicContact CG1-CG2 4.39Å; I198-F234 HydrophobicContact CB-CE2 3.91Å; I198-F234 HydrophobicContact CB-CZ 4.38Å; I198-F234 HydrophobicContact CG2-CD2 4.23Å; I198-F234 HydrophobicContact CG2-CE2 3.45Å; I198-F234 VanDerWaalsContact CG2-CE2 3.45Å; I198-F234 HydrophobicContact CG2-CZ 3.91Å; I198-V236 HydrophobicContact CB-CG2 4.49Å; I198-V236 HydrophobicContact CD1-CG1 3.95Å; I198-V236 HydrophobicContact CD1-CG2 3.68Å; I198-V253 HydrophobicContact CD1-CG1 4.24Å; I198-I255 HydrophobicContact CD1-CD1 3.54Å; I198-I255 HydrophobicContact CD1-CG1 3.71Å
199	S	93.6	Very high	79.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.1	-176	60.6	0	0	0	0	111.6	H175 E181 L182 Y208 W210	H175-S199 PolarHBondContact CE1-OG 2.8Å; H175-S199 PolarHBondContact NE2-OG 3.28Å; E181-S199 WeakPolarHBondContact O-CA 3.24Å; L182-S199 VanDerWaalsContact CD2-CB 3.49Å; S199-Y208 PolarHBondContact N-O 2.88Å; S199-Y208 PolarHBondContact O-N 2.87Å; S199-Y208 WeakPolarHBondContact OG-CB 3.41Å; S199-Y208 PolarHBondContact OG-O 2.92Å; S199-W210 PolarHBondContact OG-NE1 2.86Å
200	A	92.8	Very high	81.3	Confident	4 Å²	4	49.1 Å²	49.1	3%	0.033	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.6	171	0	0	0	0	0	110	V179 S180 E181 L207 F234	V179-A200 CarbonylContact C-O 3.56Å; V179-A200 WeakPolarHBondContact CG1-O 3.39Å; S180-A200 PolarHBondContact N-O 3.25Å; S180-A200 PolarHBondContact OG-O 2.86Å; E181-A200 HydrophobicContact CB-CB 4.34Å; E181-A200 PolarHBondContact N-O 3.16Å; E181-A200 PolarHBondContact O-N 3.38Å; A200-L207 HydrophobicContact CB-CD2 3.34Å; A200-F234 HydrophobicContact CB-CD1 3.98Å; A200-F234 HydrophobicContact CB-CE1 3.56Å
201	A	91.6	Very high	83	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	151.7	173.1	0	0	0	0	0	110.9	A177 D204	A177-A201 HydrophobicContact CB-CB 4.06Å; A201-D204 HydrophobicContact CB-CB 4.03Å; A201-D204 WeakPolarHBondContact CB-OD2 3.48Å; A201-D204 PolarHBondContact O-N 3.48Å
202	K	86.9	Confident	84.8	Confident	145 Å²	145	41.3 Å²	41.3	63%	0.63	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	130	-179	-174.3	-179.5	178.1	-177.4	0	110.2	P178 D204	P178-K202 PolarHBondContact O-N 3.03Å; P178-K202 VanDerWaalsContact O-N 3.17Å; K202-D204 PolarHBondContact O-N 2.79Å
203	G	87.4	Confident	86.3	Confident	44 Å²	44	41.7 Å²	41.7	45%	0.454	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-4.3	-178.1	0	0	0	0	0	114.4	E230	G203-E230 VanDerWaalsContact CA-OE1 3.24Å; G203-E230 WeakPolarHBondContact CA-OE1 3.31Å; G203-E230 PolarHBondContact N-OE1 3.43Å
204	D	89.9	Confident	87.5	Confident	37 Å²	37	36.4 Å²	36.4	20%	0.198	18%	0.178	C	C	.	.			trans	-99.9	138.7	-178.2	-73.7	-10.4	0	0	0	111	A201 K202 Y206 P231	A201-D204 HydrophobicContact CB-CB 4.03Å; A201-D204 WeakPolarHBondContact CB-OD2 3.48Å; A201-D204 PolarHBondContact O-N 3.48Å; K202-D204 PolarHBondContact O-N 2.79Å; D204-Y206 VanDerWaalsContact C-N 3.26Å; D204-Y206 PolarHBondContact O-N 2.98Å; D204-P231 VanDerWaalsContact O-CD 3.31Å; D204-P231 WeakPolarHBondContact O-CD 3.31Å
205	R	91.6	Very high	88.2	Confident	123 Å²	123	42.8 Å²	42.8	46%	0.464	21%	0.205	S	C	.	.	S	Bend	trans	-88.1	8.4	175.7	-60.4	-168.1	-60.5	150.2	4.3	113.4	I227 A228	R205-I227 PolarHBondContact O-N 3.31Å; R205-A228 PolarHBondContact NH1-O 3.05Å
206	Y	91.4	Very high	88.2	Confident	106 Å²	106	43.9 Å²	43.9	42%	0.416	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.2	-175.3	-64.2	-77.7	0	0	0	110.6	D204 T224 F225 A226	D204-Y206 VanDerWaalsContact C-N 3.26Å; D204-Y206 PolarHBondContact O-N 2.98Å; Y206-T224 HydrophobicContact CD1-CG2 3.83Å; Y206-T224 HydrophobicContact CG-CG2 4.09Å; Y206-F225 WeakPolarHBondContact CA-O 3.33Å; Y206-A226 HydrophobicContact CD1-CB 3.81Å; Y206-A226 HydrophobicContact CE1-CB 3.58Å
207	L	92.3	Very high	87.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.5	164.2	-71.9	178.4	0	0	0	109.2	A200 T224 F225 I227 F234 I255 V257	A200-L207 HydrophobicContact CB-CD2 3.34Å; L207-T224 WeakPolarHBondContact O-CA 3.19Å; L207-F225 HydrophobicContact CB-CD1 4.3Å; L207-F225 HydrophobicContact CB-CD2 4.45Å; L207-F225 HydrophobicContact CB-CE1 3.74Å; L207-F225 HydrophobicContact CB-CE2 3.91Å; L207-F225 HydrophobicContact CB-CZ 3.53Å; L207-F225 HydrophobicContact CD1-CE1 4.49Å; L207-F225 HydrophobicContact CD1-CE2 3.7Å; L207-F225 HydrophobicContact CD1-CZ 3.51Å; L207-F225 HydrophobicContact CG-CE2 4.27Å; L207-F225 HydrophobicContact CG-CZ 4.12Å; L207-F225 PolarHBondContact N-O 3.22Å; L207-F225 PolarHBondContact O-N 3.14Å; L207-F225 VanDerWaalsContact O-N 3.1Å; L207-I227 HydrophobicContact CD1-CD1 3.75Å; L207-I227 HydrophobicContact CG-CD1 3.66Å; L207-F234 HydrophobicContact CD2-CD1 4.2Å; L207-F234 HydrophobicContact CD2-CE1 4.23Å; L207-I255 HydrophobicContact CD1-CG2 4.17Å; L207-V257 HydrophobicContact CD1-CG2 3.54Å
208	Y	92	Very high	87.4	Confident	34 Å²	34	53.3 Å²	53.3	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.4	-179.7	-64	-98.1	0	0	0	109.7	H175 I198 S199 W210 P221 T224	H175-Y208 AromaticContact CE1-CD2 3.23Å; H175-Y208 WeakPolarHBondContact CE1-CD2 3.41Å; H175-Y208 AromaticContact CE1-CE2 3.83Å; H175-Y208 AromaticContact CE1-CG 3.64Å; H175-Y208 AromaticContact ND1-CD2 3.57Å; H175-Y208 AromaticContact ND1-CE2 3.67Å; I198-Y208 WeakPolarHBondContact CA-O 3.21Å; S199-Y208 PolarHBondContact N-O 2.88Å; S199-Y208 PolarHBondContact O-N 2.87Å; S199-Y208 WeakPolarHBondContact OG-CB 3.41Å; S199-Y208 PolarHBondContact OG-O 2.92Å; Y208-W210 HydrophobicContact CD1-CZ2 4.4Å; Y208-P221 HydrophobicContact CD1-CB 4.03Å; Y208-P221 HydrophobicContact CD1-CG 3.86Å; Y208-P221 HydrophobicContact CE1-CG 4.43Å; Y208-T224 HydrophobicContact CD1-CG2 3.86Å; Y208-T224 WeakPolarHBondContact CD1-OG1 3.22Å; Y208-T224 HydrophobicContact CE1-CG2 3.66Å; Y208-T224 WeakPolarHBondContact CE1-OG1 3.47Å; Y208-T224 HydrophobicContact CE2-CG2 4.46Å; Y208-T224 HydrophobicContact CG-CG2 4.34Å
209	V	91.3	Very high	86.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121	177.6	-176.8	0	0	0	0	107.6	V196 I197 I198 P221 L222 C223 F225 L269	V196-V209 HydrophobicContact CG1-CG1 3.25Å; I197-V209 CarbonylContact O-C 3.59Å; I197-V209 WeakPolarHBondContact O-CA 3.48Å; I198-V209 HydrophobicContact CG1-CG2 4.39Å; V209-P221 CarbonylContact O-C 3.48Å; V209-P221 WeakPolarHBondContact O-CB 3.21Å; V209-L222 WeakPolarHBondContact O-CB 3.37Å; V209-L222 PolarHBondContact O-N 3.18Å; V209-C223 HydrophobicContact CB-CB 4.12Å; V209-C223 HydrophobicContact CG2-CB 4.34Å; V209-C223 PolarHBondContact N-O 2.92Å; V209-C223 PolarHBondContact O-N 3.14Å; V209-F225 HydrophobicContact CG2-CD1 4.35Å; V209-F225 HydrophobicContact CG2-CE1 3.91Å; V209-L269 HydrophobicContact CG1-CD2 3.77Å; V209-L269 HydrophobicContact CG2-CD2 4.26Å
210	W	90.1	Very high	86.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146	-178.4	-52.2	83.9	0	0	0	110.8	F172 S173 H175 I197 S199 Y208 V218 K220 P221	F172-W210 HydrophobicContact CB-CD2 4.21Å; F172-W210 HydrophobicContact CB-CE3 4.01Å; F172-W210 HydrophobicContact CB-CZ3 4.19Å; F172-W210 HydrophobicContact CD1-CB 4.03Å; F172-W210 HydrophobicContact CD1-CD2 4.16Å; F172-W210 AromaticContact CD1-CE3 3.85Å; F172-W210 HydrophobicContact CD1-CE3 3.85Å; F172-W210 HydrophobicContact CD1-CG 4.26Å; F172-W210 HydrophobicContact CE1-CB 4.28Å; F172-W210 HydrophobicContact CG-CE3 4.4Å; S173-W210 WeakPolarHBondContact O-CH2 3.23Å; H175-W210 AromaticContact CD2-CZ2 3.85Å; H175-W210 AromaticContact NE2-CE2 3.87Å; H175-W210 AromaticContact NE2-CZ2 3.63Å; H175-W210 AromaticContact NE2-NE1 3.57Å; I197-W210 HydrophobicContact CB-CB 4.16Å; I197-W210 PolarHBondContact N-O 2.86Å; I197-W210 PolarHBondContact O-N 2.86Å; S199-W210 PolarHBondContact OG-NE1 2.86Å; Y208-W210 HydrophobicContact CD1-CZ2 4.4Å; W210-V218 HydrophobicContact CE3-CG1 3.78Å; W210-V218 HydrophobicContact CZ3-CG1 4.06Å; W210-K220 VanDerWaalsContact CZ3-C 3.5Å; W210-P221 HydrophobicContact CD2-CB 4.17Å; W210-P221 HydrophobicContact CE3-CB 4.13Å; W210-P221 HydrophobicContact CH2-CB 4.21Å; W210-P221 HydrophobicContact CZ2-CB 4.23Å; W210-P221 HydrophobicContact CZ3-CB 4.17Å
211	P	86.5	Confident	86	Confident	26 Å²	26	72.4 Å²	72.4	17%	0.169	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.8	170.3	24.9	-15	0	0	0	108.5	F172 Q213 V218 L222	F172-P211 VanDerWaalsContact CE1-O 3.3Å; F172-P211 WeakPolarHBondContact CE1-O 3.33Å; P211-Q213 HydrophobicContact CB-CG 4.3Å; P211-Q213 HydrophobicContact CG-CG 4.45Å; P211-Q213 PolarHBondContact O-N 3.27Å; P211-V218 HydrophobicContact CG-CG1 4.48Å; P211-L222 HydrophobicContact CB-CD1 3.76Å; P211-L222 HydrophobicContact CB-CD2 4.1Å; P211-L222 HydrophobicContact CB-CG 3.94Å; P211-L222 HydrophobicContact CG-CD1 4.2Å; P211-L222 HydrophobicContact CG-CD2 3.96Å; P211-L222 HydrophobicContact CG-CG 3.81Å
212	F	85.4	Confident	85.6	Confident	14 Å²	14	75.2 Å²	75.2	6%	0.061	36%	0.356	C	S	.	.			trans	-73.9	111.4	168.3	-173.7	-95	0	0	0	109.3	T145 L160 C195 I197 L214	T145-F212 HydrophobicContact CG2-CE2 3.62Å; T145-F212 HydrophobicContact CG2-CZ 3.76Å; L160-F212 HydrophobicContact CD1-CE2 3.79Å; L160-F212 HydrophobicContact CD1-CZ 4.14Å; L160-F212 HydrophobicContact CD2-CE2 4.14Å; L160-F212 HydrophobicContact CD2-CZ 4.04Å; C195-F212 HydrophobicContact CB-CB 3.36Å; C195-F212 HydrophobicContact CB-CD1 4Å; C195-F212 HydrophobicContact CB-CD2 4.21Å; C195-F212 HydrophobicContact CB-CG 3.61Å; C195-F212 WeakPolarHBondContact O-CB 3.36Å; C195-F212 PolarHBondContact O-N 3.28Å; I197-F212 HydrophobicContact CD1-CD2 4.11Å; I197-F212 HydrophobicContact CG1-CD2 4.24Å; F212-L214 HydrophobicContact CE1-CD2 3.72Å; F212-L214 HydrophobicContact CE1-CG 3.97Å; F212-L214 HydrophobicContact CZ-CD2 3.97Å
213	Q	81.4	Confident	85.6	Confident	94 Å²	94	69.4 Å²	69.4	44%	0.439	33%	0.333	S	S	.	.			trans	-123	132.2	174.5	-65.9	-162.2	-22	0	0	110.1	L160 T170 P211 V218	L160-Q213 WeakPolarHBondContact CD2-O 3.39Å; T170-Q213 WeakPolarHBondContact CG2-O 2.96Å; T170-Q213 PolarHBondContact OG1-O 3.12Å; P211-Q213 HydrophobicContact CB-CG 4.3Å; P211-Q213 HydrophobicContact CG-CG 4.45Å; P211-Q213 PolarHBondContact O-N 3.27Å; Q213-V218 HydrophobicContact CB-CG2 4.42Å
214	L	78.2	Confident	85.6	Confident	65 Å²	65	70.1 Å²	70.1	34%	0.34	33%	0.329	S	S	.	.	S	Bend	trans	-79.4	-23.1	-179.9	-72.8	170.1	0	0	0	113.3	E150 L160 L169 T170 F212	E150-L214 HydrophobicContact CG-CD2 4.08Å; L160-L214 HydrophobicContact CD2-CD2 4.26Å; L169-L214 WeakPolarHBondContact CB-O 3.08Å; T170-L214 WeakPolarHBondContact CG2-O 3.06Å; F212-L214 HydrophobicContact CE1-CD2 3.72Å; F212-L214 HydrophobicContact CE1-CG 3.97Å; F212-L214 HydrophobicContact CZ-CD2 3.97Å
215	K	77.8	Confident	85.6	Confident	180 Å²	180	69.2 Å²	69.2	78%	0.783	32%	0.323	S	S	*	.	S	Bend	trans	-140.5	137.1	-179.6	-66.4	-175.3	-179.2	178	0	111.4	T170	T170-K215 VanDerWaalsContact CG2-C 3.45Å; T170-K215 VanDerWaalsContact CG2-CA 3.46Å; T170-K215 VanDerWaalsContact CG2-N 3.33Å
216	G	81.9	Confident	85.5	Confident	42 Å²	42	66.1 Å²	66.1	43%	0.433	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120.9	-175.4	175.5	0	0	0	0	0	114.7	T170	T170-G216 VanDerWaalsContact CA-O 3.28Å; T170-G216 WeakPolarHBondContact CA-O 3.47Å; T170-G216 VanDerWaalsContact CB-O 3.31Å; T170-G216 WeakPolarHBondContact CB-O 3.38Å; T170-G216 WeakPolarHBondContact CG2-O 3.37Å
217	K	80.5	Confident	85.4	Confident	190 Å²	190	61.3 Å²	61.3	83%	0.826	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.4	172.5	-68	-178.5	-179.3	178.7	0	107.9
218	V	80.8	Confident	85	Confident	12 Å²	12	64.5 Å²	64.5	7%	0.073	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115	177.6	-177.3	0	0	0	0	107.5	T171 F172 S173 W210 P211 Q213 K220	T171-V218 PolarHBondContact O-N 3.05Å; F172-V218 CarbonylContact C-O 3.51Å; F172-V218 VanDerWaalsContact CA-O 3.27Å; F172-V218 WeakPolarHBondContact CA-O 3.16Å; F172-V218 HydrophobicContact CD1-CB 3.51Å; F172-V218 HydrophobicContact CD1-CG1 3.9Å; F172-V218 HydrophobicContact CD1-CG2 3.88Å; F172-V218 HydrophobicContact CE1-CB 3.91Å; F172-V218 HydrophobicContact CE1-CG1 4.34Å; F172-V218 HydrophobicContact CE1-CG2 3.71Å; F172-V218 HydrophobicContact CG-CB 4.36Å; S173-V218 PolarHBondContact N-O 2.74Å; W210-V218 HydrophobicContact CE3-CG1 3.78Å; W210-V218 HydrophobicContact CZ3-CG1 4.06Å; P211-V218 HydrophobicContact CG-CG1 4.48Å; Q213-V218 HydrophobicContact CB-CG2 4.42Å; V218-K220 VanDerWaalsContact CG1-O 3.27Å; V218-K220 WeakPolarHBondContact CG1-O 3.23Å
219	R	79.6	Confident	84.8	Confident	198 Å²	198	68.4 Å²	68.4	75%	0.747	35%	0.35	S	S	*	.			trans	-103	-16.8	179.3	-169.5	174.7	169	99.9	-0.8	113.1	S173	S173-R219 CarbonylContact O-C 3.6Å; S173-R219 VanDerWaalsContact O-C 3.29Å; S173-R219 VanDerWaalsContact O-CA 3.31Å; S173-R219 WeakPolarHBondContact O-CA 3.5Å
220	K	83.6	Confident	84.6	Confident	169 Å²	169	71.3 Å²	71.3	74%	0.735	36%	0.363	S	S	*	.	S	Bend	trans	-119.3	130.3	-179.5	-66.7	-173	178.8	-175.7	0	109.8	W210 V218	W210-K220 VanDerWaalsContact CZ3-C 3.5Å; V218-K220 VanDerWaalsContact CG1-O 3.27Å; V218-K220 WeakPolarHBondContact CG1-O 3.23Å
221	P	86.1	Confident	84.6	Confident	38 Å²	38	72 Å²	72	25%	0.247	37%	0.368	C	S	.	.			trans	-64.4	158.2	168	33.4	-39	0	0	0	109.6	Y208 V209 W210 T224	Y208-P221 HydrophobicContact CD1-CB 4.03Å; Y208-P221 HydrophobicContact CD1-CG 3.86Å; Y208-P221 HydrophobicContact CE1-CG 4.43Å; V209-P221 CarbonylContact O-C 3.48Å; V209-P221 WeakPolarHBondContact O-CB 3.21Å; W210-P221 HydrophobicContact CD2-CB 4.17Å; W210-P221 HydrophobicContact CE3-CB 4.13Å; W210-P221 HydrophobicContact CH2-CB 4.21Å; W210-P221 HydrophobicContact CZ2-CB 4.23Å; W210-P221 HydrophobicContact CZ3-CB 4.17Å; P221-T224 WeakPolarHBondContact CG-OG1 3.46Å
222	L	84	Confident	84.7	Confident	63 Å²	63	76.1 Å²	76.1	33%	0.33	39%	0.387	S	S	.	.	S	Bend	trans	-65.8	-48.3	168.1	-71.1	171.6	0	0	0	110.2	V209 P211	V209-L222 WeakPolarHBondContact O-CB 3.37Å; V209-L222 PolarHBondContact O-N 3.18Å; P211-L222 HydrophobicContact CB-CD1 3.76Å; P211-L222 HydrophobicContact CB-CD2 4.1Å; P211-L222 HydrophobicContact CB-CG 3.94Å; P211-L222 HydrophobicContact CG-CD1 4.2Å; P211-L222 HydrophobicContact CG-CD2 3.96Å; P211-L222 HydrophobicContact CG-CG 3.81Å
223	C	85.9	Confident	84.8	Confident	22 Å²	22	76 Å²	76	15%	0.149	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.4	-179.2	-166.1	0	0	0	0	110.1	V209 S277 V279	V209-C223 HydrophobicContact CB-CB 4.12Å; V209-C223 HydrophobicContact CG2-CB 4.34Å; V209-C223 PolarHBondContact N-O 2.92Å; V209-C223 PolarHBondContact O-N 3.14Å; C223-S277 WeakPolarHBondContact CB-OG 3.26Å; C223-V279 HydrophobicContact CB-CG2 4.42Å; C223-V279 VanDerWaalsContact SG-CG2 3.54Å
224	T	88	Confident	85.3	Confident	59 Å²	59	71.9 Å²	71.9	36%	0.362	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.8	166.5	-57.1	0	0	0	0	107.4	Y206 L207 Y208 P221	Y206-T224 HydrophobicContact CD1-CG2 3.83Å; Y206-T224 HydrophobicContact CG-CG2 4.09Å; L207-T224 WeakPolarHBondContact O-CA 3.19Å; Y208-T224 HydrophobicContact CD1-CG2 3.86Å; Y208-T224 WeakPolarHBondContact CD1-OG1 3.22Å; Y208-T224 HydrophobicContact CE1-CG2 3.66Å; Y208-T224 WeakPolarHBondContact CE1-OG1 3.47Å; Y208-T224 HydrophobicContact CE2-CG2 4.46Å; Y208-T224 HydrophobicContact CG-CG2 4.34Å; P221-T224 WeakPolarHBondContact CG-OG1 3.46Å
225	F	89	Confident	85.8	Confident	18 Å²	18	69.4 Å²	69.4	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.2	175.7	63	-86.7	0	0	0	110.9	Y206 L207 V209 I255 F267 V279	Y206-F225 WeakPolarHBondContact CA-O 3.33Å; L207-F225 HydrophobicContact CB-CD1 4.3Å; L207-F225 HydrophobicContact CB-CD2 4.45Å; L207-F225 HydrophobicContact CB-CE1 3.74Å; L207-F225 HydrophobicContact CB-CE2 3.91Å; L207-F225 HydrophobicContact CB-CZ 3.53Å; L207-F225 HydrophobicContact CD1-CE1 4.49Å; L207-F225 HydrophobicContact CD1-CE2 3.7Å; L207-F225 HydrophobicContact CD1-CZ 3.51Å; L207-F225 HydrophobicContact CG-CE2 4.27Å; L207-F225 HydrophobicContact CG-CZ 4.12Å; L207-F225 PolarHBondContact N-O 3.22Å; L207-F225 PolarHBondContact O-N 3.14Å; L207-F225 VanDerWaalsContact O-N 3.1Å; V209-F225 HydrophobicContact CG2-CD1 4.35Å; V209-F225 HydrophobicContact CG2-CE1 3.91Å; F225-I255 HydrophobicContact CE1-CD1 3.76Å; F225-I255 HydrophobicContact CZ-CD1 3.63Å; F225-I255 HydrophobicContact CZ-CG2 4.31Å; F225-F267 HydrophobicContact CD2-CD1 4.06Å; F225-F267 HydrophobicContact CD2-CD2 4.41Å; F225-F267 HydrophobicContact CD2-CE1 4.03Å; F225-F267 HydrophobicContact CD2-CE2 4.39Å; F225-F267 HydrophobicContact CD2-CG 4.24Å; F225-F267 HydrophobicContact CD2-CZ 4.2Å; F225-F267 HydrophobicContact CE2-CB 4.39Å; F225-F267 HydrophobicContact CE2-CD1 4.09Å; F225-F267 AromaticContact CE2-CD2 3.71Å; F225-F267 HydrophobicContact CE2-CD2 3.71Å; F225-F267 HydrophobicContact CE2-CE1 4.28Å; F225-F267 AromaticContact CE2-CE2 3.93Å; F225-F267 HydrophobicContact CE2-CE2 3.93Å; F225-F267 AromaticContact CE2-CG 3.8Å; F225-F267 HydrophobicContact CE2-CG 3.8Å; F225-F267 HydrophobicContact CE2-CZ 4.21Å; F225-F267 HydrophobicContact CZ-CG 4.49Å; F225-V279 HydrophobicContact CB-CB 4.34Å; F225-V279 HydrophobicContact CB-CG1 4.12Å; F225-V279 HydrophobicContact CD1-CB 4.33Å; F225-V279 HydrophobicContact CD1-CG1 3.92Å; F225-V279 HydrophobicContact CD1-CG2 3.88Å; F225-V279 HydrophobicContact CD2-CG1 4.16Å; F225-V279 HydrophobicContact CE1-CG1 4.33Å; F225-V279 HydrophobicContact CE1-CG2 4.4Å; F225-V279 HydrophobicContact CG-CB 4.4Å; F225-V279 HydrophobicContact CG-CG1 3.82Å; F225-V279 HydrophobicContact CG-CG2 4.44Å
226	A	88.8	Confident	86.4	Confident	58 Å²	58	62 Å²	62	48%	0.479	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.1	-176.7	0	0	0	0	0	110.8	Y206	Y206-A226 HydrophobicContact CD1-CB 3.81Å; Y206-A226 HydrophobicContact CE1-CB 3.58Å
227	I	89.8	Confident	86.6	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.026	31%	0.31	C	S	.	.			trans	-100.7	148.5	170.6	-56.9	145	0	0	0	108	R205 L207 K229 P231 V257 F267	R205-I227 PolarHBondContact O-N 3.31Å; L207-I227 HydrophobicContact CD1-CD1 3.75Å; L207-I227 HydrophobicContact CG-CD1 3.66Å; I227-K229 VanDerWaalsContact C-N 3.28Å; I227-K229 VanDerWaalsContact CG2-O 3.29Å; I227-K229 WeakPolarHBondContact CG2-O 3.41Å; I227-K229 PolarHBondContact O-N 3.36Å; I227-P231 HydrophobicContact CD1-CB 4.05Å; I227-P231 HydrophobicContact CD1-CG 4.03Å; I227-V257 HydrophobicContact CD1-CB 4.48Å; I227-V257 HydrophobicContact CD1-CG1 3.65Å; I227-V257 HydrophobicContact CD1-CG2 4.28Å; I227-V257 HydrophobicContact CG1-CG1 4.2Å; I227-V257 HydrophobicContact CG2-CG1 4.26Å; I227-F267 HydrophobicContact CG1-CE2 4.22Å; I227-F267 HydrophobicContact CG1-CZ 4.27Å
228	A	84.3	Confident	86.6	Confident	67 Å²	67	52.7 Å²	52.7	55%	0.554	28%	0.28	S	S	*	.	S	Bend	trans	-59.5	-39.8	-176.7	0	0	0	0	0	112.6	R205	R205-A228 PolarHBondContact NH1-O 3.05Å
229	K	88.5	Confident	86.3	Confident	117 Å²	117	52.8 Å²	52.8	51%	0.509	28%	0.282	S	S	.	.	S	Bend	trans	-127.9	168.7	179.5	-66.4	-63.4	-176.6	177.5	0	110.8	I227 D261	I227-K229 VanDerWaalsContact C-N 3.28Å; I227-K229 VanDerWaalsContact CG2-O 3.29Å; I227-K229 WeakPolarHBondContact CG2-O 3.41Å; I227-K229 PolarHBondContact O-N 3.36Å; K229-D261 HydrophobicContact CG-CB 4.41Å
230	E	87.4	Confident	85.7	Confident	60 Å²	60	48 Å²	48	28%	0.28	28%	0.277	S	S	.	.			trans	-60.5	131.6	177.8	-173.1	174	167.4	0	0	109.9	G203 L232 E260	G203-E230 VanDerWaalsContact CA-OE1 3.24Å; G203-E230 WeakPolarHBondContact CA-OE1 3.31Å; G203-E230 PolarHBondContact N-OE1 3.43Å; E230-L232 PolarHBondContact O-N 2.62Å; E230-E260 HydrophobicContact CB-CG 4.21Å; E230-E260 PolarHBondContact O-N 3.4Å; E230-E260 VanDerWaalsContact O-N 3.14Å
231	P	90.1	Very high	84.6	Confident	16 Å²	16	41.9 Å²	41.9	10%	0.104	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.5	174.1	28.1	-32.5	0	0	0	110.3	D204 I227 G233 V257	D204-P231 VanDerWaalsContact O-CD 3.31Å; D204-P231 WeakPolarHBondContact O-CD 3.31Å; I227-P231 HydrophobicContact CD1-CB 4.05Å; I227-P231 HydrophobicContact CD1-CG 4.03Å; P231-G233 VanDerWaalsContact C-N 3.3Å; P231-V257 HydrophobicContact CB-CG1 3.64Å
232	L	87.3	Confident	83.2	Confident	111 Å²	111	48.5 Å²	48.5	58%	0.581	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	-23.8	168.2	-73.6	178.3	0	0	0	112.3	E230 T258 E260	E230-L232 PolarHBondContact O-N 2.62Å; L232-T258 PolarHBondContact N-O 2.97Å; L232-E260 HydrophobicContact CD2-CG 3.82Å; L232-E260 HydrophobicContact CG-CG 3.95Å
233	G	87.3	Confident	81.6	Confident	12 Å²	12	49.3 Å²	49.3	12%	0.124	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174	164	178.6	0	0	0	0	0	111.2	E181 P231 T258	E181-G233 WeakPolarHBondContact OE2-CA 3.4Å; P231-G233 VanDerWaalsContact C-N 3.3Å; G233-T258 PolarHBondContact O-N 3.1Å; G233-T258 PolarHBondContact O-OG1 3.38Å; G233-T258 VanDerWaalsContact O-OG1 3.12Å
234	F	92	Very high	79.9	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154	176.2	74	-79	0	0	0	113.9	E181 R183 I198 A200 L207 V236 I255 M256 V257	E181-F234 HydrophobicContact CB-CD1 4.27Å; E181-F234 HydrophobicContact CB-CE1 3.58Å; E181-F234 HydrophobicContact CB-CZ 4.43Å; E181-F234 WeakPolarHBondContact OE2-CD1 3.41Å; E181-F234 PolarHBondContact OE2-N 3.14Å; R183-F234 HydrophobicContact CB-CE2 3.59Å; R183-F234 HydrophobicContact CB-CZ 4.01Å; R183-F234 HydrophobicContact CG-CD2 3.92Å; R183-F234 HydrophobicContact CG-CE1 4.42Å; R183-F234 HydrophobicContact CG-CE2 3.29Å; R183-F234 HydrophobicContact CG-CZ 3.59Å; R183-F234 PolarHBondContact NE-O 3.35Å; I198-F234 HydrophobicContact CB-CE2 3.91Å; I198-F234 HydrophobicContact CB-CZ 4.38Å; I198-F234 HydrophobicContact CG2-CD2 4.23Å; I198-F234 HydrophobicContact CG2-CE2 3.45Å; I198-F234 VanDerWaalsContact CG2-CE2 3.45Å; I198-F234 HydrophobicContact CG2-CZ 3.91Å; A200-F234 HydrophobicContact CB-CD1 3.98Å; A200-F234 HydrophobicContact CB-CE1 3.56Å; L207-F234 HydrophobicContact CD2-CD1 4.2Å; L207-F234 HydrophobicContact CD2-CE1 4.23Å; F234-V236 HydrophobicContact CD2-CG2 3.92Å; F234-V236 HydrophobicContact CE2-CG2 3.86Å; F234-I255 HydrophobicContact CD2-CG2 4.19Å; F234-M256 CarbonylContact C-O 3.55Å; F234-M256 WeakPolarHBondContact CA-O 3.42Å; F234-M256 VanDerWaalsContact CB-O 3.27Å; F234-M256 WeakPolarHBondContact CB-O 3.42Å; F234-V257 HydrophobicContact CB-CG2 4.16Å
235	T	89.9	Confident	78	Confident	13 Å²	13	52.8 Å²	52.8	8%	0.08	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.3	171.9	76.4	0	0	0	0	110.2	F6 M256 A302	F6-T235 HydrophobicContact CD2-CG2 4.48Å; F6-T235 HydrophobicContact CE2-CG2 4.39Å; T235-M256 PolarHBondContact N-O 3.22Å; T235-M256 PolarHBondContact O-N 3.38Å; T235-A302 WeakPolarHBondContact CB-O 3.34Å; T235-A302 WeakPolarHBondContact CG2-O 3.16Å; T235-A302 PolarHBondContact OG1-O 2.87Å
236	V	89.8	Confident	76.1	Confident	25 Å²	25	57.5 Å²	57.5	15%	0.152	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.1	-178.3	-177.2	0	0	0	0	108	R183 I198 F234 V253 Y254	R183-V236 HydrophobicContact CB-CB 4.31Å; R183-V236 HydrophobicContact CB-CG2 3.58Å; R183-V236 HydrophobicContact CG-CG2 4.04Å; I198-V236 HydrophobicContact CB-CG2 4.49Å; I198-V236 HydrophobicContact CD1-CG1 3.95Å; I198-V236 HydrophobicContact CD1-CG2 3.68Å; F234-V236 HydrophobicContact CD2-CG2 3.92Å; F234-V236 HydrophobicContact CE2-CG2 3.86Å; V236-V253 HydrophobicContact CG1-CG1 3.59Å; V236-Y254 WeakPolarHBondContact CA-O 3.27Å
237	A	85.1	Confident	74	Confident	6 Å²	6	59.3 Å²	59.3	5%	0.05	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.3	175.1	0	0	0	0	0	109.8	Y254 M304	A237-Y254 PolarHBondContact N-O 3.41Å; A237-Y254 PolarHBondContact O-N 3.23Å; A237-M304 HydrophobicContact CB-CB 3.74Å; A237-M304 WeakPolarHBondContact CB-O 3.44Å
238	T	81.4	Confident	71.9	Confident	31 Å²	31	64.9 Å²	64.9	19%	0.19	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.2	171.3	50.8	0	0	0	0	109.4	S185 F251 S306	S185-T238 WeakPolarHBondContact OG-CG2 3.49Å; T238-F251 HydrophobicContact CG2-CD2 4.48Å; T238-S306 WeakPolarHBondContact O-CA 3.04Å; T238-S306 WeakPolarHBondContact O-CB 3.47Å; T238-S306 PolarHBondContact O-OG 2.99Å
239	A	74.9	Confident	70.2	Confident	14 Å²	14	66.3 Å²	66.3	12%	0.116	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143	170.1	0	0	0	0	0	109.2	D241 A252 Y254	A239-D241 PolarHBondContact O-N 2.94Å; A239-A252 PolarHBondContact N-O 3.17Å; A239-A252 WeakPolarHBondContact O-CB 3.44Å; A239-A252 PolarHBondContact O-N 2.84Å; A239-Y254 HydrophobicContact CB-CD2 4.1Å; A239-Y254 HydrophobicContact CB-CE2 3.78Å
240	P	65.9	Low	68.4	Low	98 Å²	98	64.6 Å²	64.6	64%	0.636	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	128.4	166.2	28.1	-31.5	0	0	0	108.6	K242	P240-K242 PolarHBondContact O-N 3.08Å
241	D	62.1	Low	67.2	Low	40 Å²	40	63 Å²	63	21%	0.214	38%	0.376	C	S	.	.			trans	-68.2	118.7	173.5	-174	6	0	0	0	109.1	A239 A243	A239-D241 PolarHBondContact O-N 2.94Å; D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact OD1-N 2.75Å
242	K	54.7	Low	66.5	Low	177 Å²	177	62.5 Å²	62.5	77%	0.77	37%	0.373	S	S	*	.	S	Bend	trans	-73	-25	179.6	-70.2	-174.9	180	-179.8	0	112	P240	P240-K242 PolarHBondContact O-N 3.08Å
243	A	51.5	Low	66.5	Low	80 Å²	80	57.2 Å²	57.2	66%	0.661	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-35.1	-176.9	0	0	0	0	0	112	D241	D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact OD1-N 2.75Å
244	N	49.5	Very low	66.5	Low	70 Å²	70	58 Å²	58	37%	0.374	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	30.7	-174.8	-66.1	-20	0	0	0	113	S246 L247 F250	N244-S246 PolarHBondContact O-N 3Å; N244-L247 PolarHBondContact O-N 2.99Å; N244-F250 HydrophobicContact CB-CB 4.48Å; N244-F250 HydrophobicContact CB-CD2 4.23Å
245	A	48.3	Very low	66.4	Low	83 Å²	83	57.7 Å²	57.7	69%	0.686	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-18.1	-175.4	0	0	0	0	0	115
246	S	49.5	Very low	66.5	Low	117 Å²	117	57.1 Å²	57.1	82%	0.818	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-24.3	176.3	40.1	0	0	0	0	114.1	N244	N244-S246 PolarHBondContact O-N 3Å
247	L	45.3	Very low	66.7	Low	96 Å²	96	56 Å²	56	50%	0.503	33%	0.333	S	S	.	.			trans	-108.7	107.8	173.2	-91.6	137.2	0	0	0	107.9	N244 M249 F250	N244-L247 PolarHBondContact O-N 2.99Å; L247-M249 HydrophobicContact CD2-CB 4.34Å; L247-M249 PolarHBondContact O-N 2.98Å; L247-F250 HydrophobicContact CB-CD2 4.26Å
248	S	45.3	Very low	66.9	Low	122 Å²	122	56 Å²	56	85%	0.853	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	12.5	173.5	68.1	0	0	0	0	114.5
249	M	48.3	Very low	67.2	Low	97 Å²	97	54.6 Å²	54.6	48%	0.478	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-12.5	-170.1	-158.1	175.3	-155.2	0	0	113	L247	L247-M249 HydrophobicContact CD2-CB 4.34Å; L247-M249 PolarHBondContact O-N 2.98Å
250	F	50.1	Low	67.8	Low	82 Å²	82	59.6 Å²	59.6	36%	0.36	35%	0.345	S	S	.	.			trans	-112.2	116.5	179	-65.7	-73.6	0	0	0	110.7	N244 L247	N244-F250 HydrophobicContact CB-CB 4.48Å; N244-F250 HydrophobicContact CB-CD2 4.23Å; L247-F250 HydrophobicContact CB-CD2 4.26Å
251	F	63.5	Low	68.8	Low	26 Å²	26	57.8 Å²	57.8	11%	0.114	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.5	170.3	65.6	-81.9	0	0	0	110.3	E194 V196 T238 V253 I271	E194-F251 HydrophobicContact CB-CE1 3.82Å; E194-F251 HydrophobicContact CB-CZ 4.45Å; E194-F251 HydrophobicContact CG-CE1 4.37Å; E194-F251 WeakPolarHBondContact O-CZ 3.35Å; V196-F251 HydrophobicContact CG2-CZ 4.45Å; T238-F251 HydrophobicContact CG2-CD2 4.48Å; F251-V253 HydrophobicContact CD2-CG2 3.54Å; F251-V253 HydrophobicContact CE2-CG2 3.38Å; F251-I271 HydrophobicContact CE2-CD1 3.85Å; F251-I271 HydrophobicContact CZ-CD1 3.8Å
252	A	75.7	Confident	70	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.3	177.7	0	0	0	0	0	109.6	A239 Y254 F268	A239-A252 PolarHBondContact N-O 3.17Å; A239-A252 WeakPolarHBondContact O-CB 3.44Å; A239-A252 PolarHBondContact O-N 2.84Å; A252-Y254 HydrophobicContact CB-CE2 4.12Å; A252-F268 HydrophobicContact CB-CD2 4.32Å; A252-F268 HydrophobicContact CB-CE2 3.44Å; A252-F268 VanDerWaalsContact CB-CE2 3.44Å; A252-F268 HydrophobicContact CB-CZ 4.2Å
253	V	85.4	Confident	71.7	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.1	175	-176	0	0	0	0	109.3	S185 I198 V236 F251 I255 L269 I271	S185-V253 WeakPolarHBondContact OG-CG1 3.39Å; S185-V253 VanDerWaalsContact OG-CG2 3.29Å; S185-V253 WeakPolarHBondContact OG-CG2 3.25Å; I198-V253 HydrophobicContact CD1-CG1 4.24Å; V236-V253 HydrophobicContact CG1-CG1 3.59Å; F251-V253 HydrophobicContact CD2-CG2 3.54Å; F251-V253 HydrophobicContact CE2-CG2 3.38Å; V253-I255 HydrophobicContact CG1-CG1 4.22Å; V253-L269 HydrophobicContact CB-CB 4.14Å; V253-L269 HydrophobicContact CB-CD2 4.2Å; V253-L269 HydrophobicContact CB-CG 4.46Å; V253-L269 HydrophobicContact CG1-CD2 4.38Å; V253-L269 PolarHBondContact N-O 2.94Å; V253-L269 PolarHBondContact O-N 2.94Å; V253-I271 HydrophobicContact CG2-CD1 3.91Å
254	Y	87.8	Confident	73.6	Confident	29 Å²	29	48.3 Å²	48.3	11%	0.114	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.9	171.4	-66.7	-83.4	0	0	0	109.5	V236 A237 A239 A252 I266 F267 F268 M304 L309 L328	V236-Y254 WeakPolarHBondContact CA-O 3.27Å; A237-Y254 PolarHBondContact N-O 3.41Å; A237-Y254 PolarHBondContact O-N 3.23Å; A239-Y254 HydrophobicContact CB-CD2 4.1Å; A239-Y254 HydrophobicContact CB-CE2 3.78Å; A252-Y254 HydrophobicContact CB-CE2 4.12Å; Y254-I266 HydrophobicContact CD1-CG2 4.29Å; Y254-F267 CarbonylContact C-O 3.59Å; Y254-F267 WeakPolarHBondContact CA-O 3.29Å; Y254-F268 HydrophobicContact CD1-CB 4.28Å; Y254-F268 AromaticContact CD1-CD2 3.94Å; Y254-F268 HydrophobicContact CD1-CD2 3.94Å; Y254-F268 HydrophobicContact CE1-CB 4.15Å; Y254-F268 AromaticContact CE1-CD2 3.43Å; Y254-F268 HydrophobicContact CE1-CD2 3.43Å; Y254-F268 VanDerWaalsContact CE1-CD2 3.43Å; Y254-F268 HydrophobicContact CE1-CE2 4.14Å; Y254-F268 HydrophobicContact CE1-CG 4.18Å; Y254-F268 HydrophobicContact CE2-CD2 4.19Å; Y254-F268 HydrophobicContact CE2-CE2 4.32Å; Y254-F268 AromaticContact CZ-CD2 3.57Å; Y254-F268 AromaticContact CZ-CE2 3.81Å; Y254-M304 HydrophobicContact CD2-CE 4.17Å; Y254-M304 HydrophobicContact CE2-CE 4.43Å; Y254-M304 HydrophobicContact CG-CE 4.31Å; Y254-M304 HydrophobicContact CG-SD 4.32Å; Y254-L309 HydrophobicContact CE2-CD2 4.04Å; Y254-L328 HydrophobicContact CE1-CD2 3.93Å
255	I	91.3	Very high	75.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.3	177.9	-50.7	170.2	0	0	0	107.3	I198 L207 F225 F234 V253 V257 I266 F267 L269	I198-I255 HydrophobicContact CD1-CD1 3.54Å; I198-I255 HydrophobicContact CD1-CG1 3.71Å; L207-I255 HydrophobicContact CD1-CG2 4.17Å; F225-I255 HydrophobicContact CE1-CD1 3.76Å; F225-I255 HydrophobicContact CZ-CD1 3.63Å; F225-I255 HydrophobicContact CZ-CG2 4.31Å; F234-I255 HydrophobicContact CD2-CG2 4.19Å; V253-I255 HydrophobicContact CG1-CG1 4.22Å; I255-V257 HydrophobicContact CG2-CG2 3.99Å; I255-I266 CarbonylContact O-C 3.55Å; I255-I266 WeakPolarHBondContact O-CA 3.23Å; I255-F267 HydrophobicContact CB-CB 4.28Å; I255-F267 PolarHBondContact N-O 2.94Å; I255-F267 PolarHBondContact O-N 3.32Å; I255-L269 HydrophobicContact CD1-CB 4.36Å; I255-L269 HydrophobicContact CD1-CD2 4.47Å
256	M	91.6	Very high	77.6	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.1	178.6	-75.3	168.3	-144.5	0	0	109.4	F234 T235 L264 I266 A302 M304 V311	F234-M256 CarbonylContact C-O 3.55Å; F234-M256 WeakPolarHBondContact CA-O 3.42Å; F234-M256 VanDerWaalsContact CB-O 3.27Å; F234-M256 WeakPolarHBondContact CB-O 3.42Å; T235-M256 PolarHBondContact N-O 3.22Å; T235-M256 PolarHBondContact O-N 3.38Å; M256-L264 HydrophobicContact CB-CD1 4.01Å; M256-L264 HydrophobicContact CG-CD1 4.47Å; M256-I266 HydrophobicContact CG-CG1 4.19Å; M256-I266 HydrophobicContact CG-CG2 4.44Å; M256-A302 HydrophobicContact CB-CB 4.34Å; M256-A302 HydrophobicContact CG-CB 4.32Å; M256-A302 VanDerWaalsContact SD-C 3.53Å; M256-A302 HydrophobicContact SD-CB 3.62Å; M256-M304 HydrophobicContact CE-CB 3.45Å; M256-M304 VanDerWaalsContact CE-CB 3.45Å; M256-M304 HydrophobicContact CE-CG 3.14Å; M256-M304 HydrophobicContact CE-SD 3.13Å; M256-M304 WeakPolarHBondContact CE-SD 3.47Å; M256-M304 HydrophobicContact SD-CG 4.48Å; M256-V311 HydrophobicContact SD-CG1 4.18Å
257	V	92.6	Very high	79.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126	-176.2	-174.7	0	0	0	0	109.2	L207 I227 P231 F234 I255 L264 D265 F267	L207-V257 HydrophobicContact CD1-CG2 3.54Å; I227-V257 HydrophobicContact CD1-CB 4.48Å; I227-V257 HydrophobicContact CD1-CG1 3.65Å; I227-V257 HydrophobicContact CD1-CG2 4.28Å; I227-V257 HydrophobicContact CG1-CG1 4.2Å; I227-V257 HydrophobicContact CG2-CG1 4.26Å; P231-V257 HydrophobicContact CB-CG1 3.64Å; F234-V257 HydrophobicContact CB-CG2 4.16Å; I255-V257 HydrophobicContact CG2-CG2 3.99Å; V257-L264 CarbonylContact O-C 3.58Å; V257-L264 WeakPolarHBondContact O-CA 3.43Å; V257-D265 PolarHBondContact N-O 2.89Å; V257-D265 PolarHBondContact O-N 3.33Å; V257-F267 HydrophobicContact CB-CE2 4.33Å; V257-F267 HydrophobicContact CG2-CD2 3.97Å; V257-F267 HydrophobicContact CG2-CE2 3.94Å
258	T	91.1	Very high	81.4	Confident	6 Å²	6	33.6 Å²	33.6	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.4	170.4	49.1	0	0	0	0	109.8	L232 G233 R263 L264 I299	L232-T258 PolarHBondContact N-O 2.97Å; G233-T258 PolarHBondContact O-N 3.1Å; G233-T258 PolarHBondContact O-OG1 3.38Å; G233-T258 VanDerWaalsContact O-OG1 3.12Å; T258-R263 WeakPolarHBondContact CA-O 3.35Å; T258-L264 HydrophobicContact CG2-CD1 3.95Å; T258-I299 HydrophobicContact CG2-CG2 4.03Å
259	G	87.7	Confident	83.3	Confident	2 Å²	2	27.8 Å²	27.8	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	162.4	178.7	0	0	0	0	0	113.4	D261 G262 R263	G259-D261 PolarHBondContact O-N 3.46Å; G259-G262 PolarHBondContact O-N 2.86Å; G259-R263 PolarHBondContact N-O 2.87Å
260	E	85.8	Confident	84.6	Confident	119 Å²	119	27.2 Å²	27.2	56%	0.556	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.1	173.5	-71.1	-165	140.2	0	0	114.6	E230 L232 G262	E230-E260 HydrophobicContact CB-CG 4.21Å; E230-E260 PolarHBondContact O-N 3.4Å; E230-E260 VanDerWaalsContact O-N 3.14Å; L232-E260 HydrophobicContact CD2-CG 3.82Å; L232-E260 HydrophobicContact CG-CG 3.95Å; E260-G262 PolarHBondContact O-N 3.29Å
261	D	87.1	Confident	85.5	Confident	61 Å²	61	25 Å²	25	33%	0.326	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.4	175.7	66.1	-15.9	0	0	0	113.3	K229 G259 R263	K229-D261 HydrophobicContact CG-CB 4.41Å; G259-D261 PolarHBondContact O-N 3.46Å; D261-R263 VanDerWaalsContact C-N 3.34Å; D261-R263 WeakPolarHBondContact OD1-CB 3.4Å; D261-R263 PolarHBondContact OD1-N 3.46Å; D261-R263 VanDerWaalsContact OD1-N 3.16Å; D261-R263 WeakPolarHBondContact OD2-CD 3.38Å; D261-R263 WeakPolarHBondContact OD2-CG 3.36Å; D261-R263 IonicContact OD2-NE 3.76Å
262	G	87.2	Confident	85.3	Confident	9 Å²	9	25.9 Å²	25.9	9%	0.093	13%	0.128	C	C	.	.	S	Bend	trans	80.5	13.1	-179.8	0	0	0	0	0	113.8	G259 E260 I299	G259-G262 PolarHBondContact O-N 2.86Å; E260-G262 PolarHBondContact O-N 3.29Å; G262-I299 PolarHBondContact O-N 2.9Å
263	R	90.4	Very high	84.4	Confident	87 Å²	87	30.6 Å²	30.6	33%	0.328	16%	0.161	S	C	.	.			trans	-91.1	156.8	175.2	-64.6	-173.7	176.7	180	-7.7	111.8	T258 G259 D261 V285	T258-R263 WeakPolarHBondContact CA-O 3.35Å; G259-R263 PolarHBondContact N-O 2.87Å; D261-R263 VanDerWaalsContact C-N 3.34Å; D261-R263 WeakPolarHBondContact OD1-CB 3.4Å; D261-R263 PolarHBondContact OD1-N 3.46Å; D261-R263 VanDerWaalsContact OD1-N 3.16Å; D261-R263 WeakPolarHBondContact OD2-CD 3.38Å; D261-R263 WeakPolarHBondContact OD2-CG 3.36Å; D261-R263 IonicContact OD2-NE 3.76Å; R263-V285 WeakPolarHBondContact CA-O 3.48Å
264	L	91.4	Very high	82.8	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.7	170.3	173.6	74.5	0	0	0	109.3	M256 V257 T258 I266 S284 V285 I299 A302 V311 L313	M256-L264 HydrophobicContact CB-CD1 4.01Å; M256-L264 HydrophobicContact CG-CD1 4.47Å; V257-L264 CarbonylContact O-C 3.58Å; V257-L264 WeakPolarHBondContact O-CA 3.43Å; T258-L264 HydrophobicContact CG2-CD1 3.95Å; L264-I266 HydrophobicContact CD2-CD1 4.16Å; L264-I266 HydrophobicContact CD2-CG1 4.1Å; L264-I266 HydrophobicContact CG-CG1 4.15Å; L264-S284 CarbonylContact O-C 3.52Å; L264-S284 WeakPolarHBondContact O-CA 3.5Å; L264-V285 HydrophobicContact CB-CB 4.38Å; L264-V285 PolarHBondContact N-O 2.9Å; L264-V285 PolarHBondContact O-N 3.24Å; L264-I299 HydrophobicContact CB-CD1 3.67Å; L264-I299 HydrophobicContact CB-CG2 4.21Å; L264-A302 HydrophobicContact CD1-CB 3.54Å; L264-A302 HydrophobicContact CD2-CB 3.5Å; L264-A302 HydrophobicContact CG-CB 4.18Å; L264-V311 HydrophobicContact CD2-CG1 4.45Å; L264-L313 HydrophobicContact CD2-CD2 3.31Å
265	D	91.6	Very high	81.2	Confident	16 Å²	16	36.6 Å²	36.6	9%	0.086	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127	171.7	-65.3	-29.9	0	0	0	109.6	V257 F267 L281 S284	V257-D265 PolarHBondContact N-O 2.89Å; V257-D265 PolarHBondContact O-N 3.33Å; D265-F267 HydrophobicContact CB-CD2 4.4Å; D265-F267 HydrophobicContact CB-CE2 3.63Å; D265-F267 HydrophobicContact CB-CZ 4.06Å; D265-L281 HydrophobicContact CB-CD1 4.01Å; D265-S284 WeakPolarHBondContact OD1-CB 3.07Å; D265-S284 PolarHBondContact OD1-OG 3.48Å
266	I	91.3	Very high	79.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.3	178.3	-52.1	-178.3	0	0	0	108.3	Y254 I255 M256 L264 V282 C283 V311 L328	Y254-I266 HydrophobicContact CD1-CG2 4.29Å; I255-I266 CarbonylContact O-C 3.55Å; I255-I266 WeakPolarHBondContact O-CA 3.23Å; M256-I266 HydrophobicContact CG-CG1 4.19Å; M256-I266 HydrophobicContact CG-CG2 4.44Å; L264-I266 HydrophobicContact CD2-CD1 4.16Å; L264-I266 HydrophobicContact CD2-CG1 4.1Å; L264-I266 HydrophobicContact CG-CG1 4.15Å; I266-V282 WeakPolarHBondContact O-CB 3.25Å; I266-V282 PolarHBondContact O-N 2.89Å; I266-C283 PolarHBondContact N-O 3.1Å; I266-C283 PolarHBondContact O-N 3.29Å; I266-V311 HydrophobicContact CD1-CG1 4.42Å; I266-V311 HydrophobicContact CD1-CG2 3.94Å; I266-L328 HydrophobicContact CD1-CD1 3.79Å; I266-L328 HydrophobicContact CG2-CD1 4.13Å
267	F	89.9	Confident	78.9	Confident	15 Å²	15	43.9 Å²	43.9	7%	0.066	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	147.5	174.1	-60	-89.1	0	0	0	110.4	F225 I227 Y254 I255 V257 D265 V279 E280 L281	F225-F267 HydrophobicContact CD2-CD1 4.06Å; F225-F267 HydrophobicContact CD2-CD2 4.41Å; F225-F267 HydrophobicContact CD2-CE1 4.03Å; F225-F267 HydrophobicContact CD2-CE2 4.39Å; F225-F267 HydrophobicContact CD2-CG 4.24Å; F225-F267 HydrophobicContact CD2-CZ 4.2Å; F225-F267 HydrophobicContact CE2-CB 4.39Å; F225-F267 HydrophobicContact CE2-CD1 4.09Å; F225-F267 AromaticContact CE2-CD2 3.71Å; F225-F267 HydrophobicContact CE2-CD2 3.71Å; F225-F267 HydrophobicContact CE2-CE1 4.28Å; F225-F267 AromaticContact CE2-CE2 3.93Å; F225-F267 HydrophobicContact CE2-CE2 3.93Å; F225-F267 AromaticContact CE2-CG 3.8Å; F225-F267 HydrophobicContact CE2-CG 3.8Å; F225-F267 HydrophobicContact CE2-CZ 4.21Å; F225-F267 HydrophobicContact CZ-CG 4.49Å; I227-F267 HydrophobicContact CG1-CE2 4.22Å; I227-F267 HydrophobicContact CG1-CZ 4.27Å; Y254-F267 CarbonylContact C-O 3.59Å; Y254-F267 WeakPolarHBondContact CA-O 3.29Å; I255-F267 HydrophobicContact CB-CB 4.28Å; I255-F267 PolarHBondContact N-O 2.94Å; I255-F267 PolarHBondContact O-N 3.32Å; V257-F267 HydrophobicContact CB-CE2 4.33Å; V257-F267 HydrophobicContact CG2-CD2 3.97Å; V257-F267 HydrophobicContact CG2-CE2 3.94Å; D265-F267 HydrophobicContact CB-CD2 4.4Å; D265-F267 HydrophobicContact CB-CE2 3.63Å; D265-F267 HydrophobicContact CB-CZ 4.06Å; F267-V279 HydrophobicContact CB-CG1 4.01Å; F267-V279 HydrophobicContact CD1-CG1 3.91Å; F267-V279 HydrophobicContact CG-CG1 4.31Å; F267-E280 CarbonylContact C-O 3.59Å; F267-E280 WeakPolarHBondContact CA-O 3.37Å; F267-L281 HydrophobicContact CD1-CB 4.16Å; F267-L281 HydrophobicContact CD1-CD1 4.01Å; F267-L281 HydrophobicContact CE1-CB 4.09Å; F267-L281 HydrophobicContact CE1-CD1 3.74Å; F267-L281 HydrophobicContact CE1-CG 4.45Å; F267-L281 HydrophobicContact CE2-CD1 4.38Å; F267-L281 HydrophobicContact CG-CD1 4.46Å; F267-L281 HydrophobicContact CZ-CD1 3.94Å
268	F	85.5	Confident	78	Confident	26 Å²	26	46.3 Å²	46.3	11%	0.114	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123	172.1	173.9	-111.9	0	0	0	108.4	A252 Y254 Q270 V279 E280 V282	A252-F268 HydrophobicContact CB-CD2 4.32Å; A252-F268 HydrophobicContact CB-CE2 3.44Å; A252-F268 VanDerWaalsContact CB-CE2 3.44Å; A252-F268 HydrophobicContact CB-CZ 4.2Å; Y254-F268 HydrophobicContact CD1-CB 4.28Å; Y254-F268 AromaticContact CD1-CD2 3.94Å; Y254-F268 HydrophobicContact CD1-CD2 3.94Å; Y254-F268 HydrophobicContact CE1-CB 4.15Å; Y254-F268 AromaticContact CE1-CD2 3.43Å; Y254-F268 HydrophobicContact CE1-CD2 3.43Å; Y254-F268 VanDerWaalsContact CE1-CD2 3.43Å; Y254-F268 HydrophobicContact CE1-CE2 4.14Å; Y254-F268 HydrophobicContact CE1-CG 4.18Å; Y254-F268 HydrophobicContact CE2-CD2 4.19Å; Y254-F268 HydrophobicContact CE2-CE2 4.32Å; Y254-F268 AromaticContact CZ-CD2 3.57Å; Y254-F268 AromaticContact CZ-CE2 3.81Å; F268-Q270 HydrophobicContact CD1-CG 3.82Å; F268-Q270 VanDerWaalsContact CE1-CD 3.42Å; F268-Q270 HydrophobicContact CE1-CG 3.13Å; F268-Q270 HydrophobicContact CZ-CG 3.61Å; F268-V279 WeakPolarHBondContact O-CA 3.39Å; F268-E280 PolarHBondContact N-O 2.99Å; F268-E280 PolarHBondContact O-N 2.8Å; F268-V282 HydrophobicContact CB-CG2 3.3Å; F268-V282 HydrophobicContact CG-CG2 4.34Å
269	L	84.2	Confident	77.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.7	179.2	167.8	71	0	0	0	107.8	V196 V209 V253 I255 I271 V279	V196-L269 HydrophobicContact CG1-CD2 4.44Å; V209-L269 HydrophobicContact CG1-CD2 3.77Å; V209-L269 HydrophobicContact CG2-CD2 4.26Å; V253-L269 HydrophobicContact CB-CB 4.14Å; V253-L269 HydrophobicContact CB-CD2 4.2Å; V253-L269 HydrophobicContact CB-CG 4.46Å; V253-L269 HydrophobicContact CG1-CD2 4.38Å; V253-L269 PolarHBondContact N-O 2.94Å; V253-L269 PolarHBondContact O-N 2.94Å; I255-L269 HydrophobicContact CD1-CB 4.36Å; I255-L269 HydrophobicContact CD1-CD2 4.47Å; L269-I271 HydrophobicContact CD1-CG1 4.25Å; L269-I271 HydrophobicContact CD2-CD1 3.86Å; L269-I271 HydrophobicContact CD2-CG1 4.02Å; L269-I271 HydrophobicContact CG-CD1 4.13Å; L269-I271 HydrophobicContact CG-CG1 3.91Å; L269-V279 HydrophobicContact CB-CG2 4.42Å; L269-V279 HydrophobicContact CD1-CG2 3.54Å
270	Q	75.4	Confident	77.3	Confident	85 Å²	85	52.9 Å²	52.9	40%	0.397	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.3	167.7	-67.1	-174.6	-43.6	0	0	108.5	F268 S277 S278	F268-Q270 HydrophobicContact CD1-CG 3.82Å; F268-Q270 VanDerWaalsContact CE1-CD 3.42Å; F268-Q270 HydrophobicContact CE1-CG 3.13Å; F268-Q270 HydrophobicContact CZ-CG 3.61Å; Q270-S277 WeakPolarHBondContact O-CA 3.49Å; Q270-S278 PolarHBondContact N-O 3.45Å; Q270-S278 VanDerWaalsContact N-O 3.15Å; Q270-S278 PolarHBondContact O-N 3.22Å
271	I	68.6	Low	77.1	Confident	35 Å²	35	51.4 Å²	51.4	18%	0.179	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	101.6	173.4	-61.4	139.4	0	0	0	106.6	V196 F251 V253 L269	V196-I271 HydrophobicContact CB-CD1 4.38Å; V196-I271 HydrophobicContact CG2-CD1 3.52Å; V196-I271 HydrophobicContact CG2-CG1 4.34Å; F251-I271 HydrophobicContact CE2-CD1 3.85Å; F251-I271 HydrophobicContact CZ-CD1 3.8Å; V253-I271 HydrophobicContact CG2-CD1 3.91Å; L269-I271 HydrophobicContact CD1-CG1 4.25Å; L269-I271 HydrophobicContact CD2-CD1 3.86Å; L269-I271 HydrophobicContact CD2-CG1 4.02Å; L269-I271 HydrophobicContact CG-CD1 4.13Å; L269-I271 HydrophobicContact CG-CG1 3.91Å
272	S	59.3	Low	76.9	Confident	46 Å²	46	50.8 Å²	50.8	32%	0.322	30%	0.295	S	S	.	.			trans	-76.5	136.3	160.4	-176	0	0	0	0	108	S274	S272-S274 PolarHBondContact O-N 3.29Å; S272-S274 PolarHBondContact OG-OG 3.35Å; S272-S274 VanDerWaalsContact OG-OG 3.07Å
273	S	56.5	Low	76.9	Confident	104 Å²	104	50.4 Å²	50.4	73%	0.727	29%	0.292	S	S	*	.	S	Bend	trans	-51	-21.8	173.8	176.5	0	0	0	0	113	A275	S273-A275 PolarHBondContact O-N 3.4Å
274	S	53.4	Low	76.8	Confident	77 Å²	77	47 Å²	47	54%	0.538	28%	0.281	S	S	.	.	S	Bend	trans	-96.3	55.5	-176.6	66.3	0	0	0	0	113.6	S272 D276	S272-S274 PolarHBondContact O-N 3.29Å; S272-S274 PolarHBondContact OG-OG 3.35Å; S272-S274 VanDerWaalsContact OG-OG 3.07Å; S274-D276 PolarHBondContact O-N 3.45Å
275	A	54.4	Low	76.8	Confident	78 Å²	78	47 Å²	47	65%	0.645	28%	0.281	S	S	*	.	S	Bend	trans	56	-17.1	169.6	0	0	0	0	0	119.1	S273 S277	S273-A275 PolarHBondContact O-N 3.4Å; A275-S277 PolarHBondContact O-N 3.49Å
276	D	62.3	Low	76.7	Confident	130 Å²	130	46.8 Å²	46.8	70%	0.695	28%	0.283	S	S	*	.			trans	-85.4	88.1	175.6	-74.7	-19.9	0	0	0	107.7	S274	S274-D276 PolarHBondContact O-N 3.45Å
277	S	70.6	Confident	76.7	Confident	24 Å²	24	46.9 Å²	46.9	17%	0.168	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.6	165.9	52.9	0	0	0	0	109.2	C223 Q270 A275	C223-S277 WeakPolarHBondContact CB-OG 3.26Å; Q270-S277 WeakPolarHBondContact O-CA 3.49Å; A275-S277 PolarHBondContact O-N 3.49Å
278	S	75	Confident	76.7	Confident	51 Å²	51	47.7 Å²	47.7	36%	0.357	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.6	168.6	54.6	0	0	0	0	109.8	Q270	Q270-S278 PolarHBondContact N-O 3.45Å; Q270-S278 VanDerWaalsContact N-O 3.15Å; Q270-S278 PolarHBondContact O-N 3.22Å
279	V	80.7	Confident	76.8	Confident	37 Å²	37	46.6 Å²	46.6	22%	0.224	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.8	171.3	177.8	0	0	0	0	107.7	C223 F225 F267 F268 L269	C223-V279 HydrophobicContact CB-CG2 4.42Å; C223-V279 VanDerWaalsContact SG-CG2 3.54Å; F225-V279 HydrophobicContact CB-CB 4.34Å; F225-V279 HydrophobicContact CB-CG1 4.12Å; F225-V279 HydrophobicContact CD1-CB 4.33Å; F225-V279 HydrophobicContact CD1-CG1 3.92Å; F225-V279 HydrophobicContact CD1-CG2 3.88Å; F225-V279 HydrophobicContact CD2-CG1 4.16Å; F225-V279 HydrophobicContact CE1-CG1 4.33Å; F225-V279 HydrophobicContact CE1-CG2 4.4Å; F225-V279 HydrophobicContact CG-CB 4.4Å; F225-V279 HydrophobicContact CG-CG1 3.82Å; F225-V279 HydrophobicContact CG-CG2 4.44Å; F267-V279 HydrophobicContact CB-CG1 4.01Å; F267-V279 HydrophobicContact CD1-CG1 3.91Å; F267-V279 HydrophobicContact CG-CG1 4.31Å; F268-V279 WeakPolarHBondContact O-CA 3.39Å; L269-V279 HydrophobicContact CB-CG2 4.42Å; L269-V279 HydrophobicContact CD1-CG2 3.54Å
280	E	82.5	Confident	76.7	Confident	110 Å²	110	51 Å²	51	51%	0.514	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.8	178.3	-64	-172.9	165.5	0	0	110	F267 F268 V282	F267-E280 CarbonylContact C-O 3.59Å; F267-E280 WeakPolarHBondContact CA-O 3.37Å; F268-E280 PolarHBondContact N-O 2.99Å; F268-E280 PolarHBondContact O-N 2.8Å; E280-V282 PolarHBondContact O-N 3.36Å
281	L	83	Confident	77	Confident	87 Å²	87	51 Å²	51	46%	0.455	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.1	169.3	178.1	66.5	0	0	0	108.5	D265 F267	D265-L281 HydrophobicContact CB-CD1 4.01Å; F267-L281 HydrophobicContact CD1-CB 4.16Å; F267-L281 HydrophobicContact CD1-CD1 4.01Å; F267-L281 HydrophobicContact CE1-CB 4.09Å; F267-L281 HydrophobicContact CE1-CD1 3.74Å; F267-L281 HydrophobicContact CE1-CG 4.45Å; F267-L281 HydrophobicContact CE2-CD1 4.38Å; F267-L281 HydrophobicContact CG-CD1 4.46Å; F267-L281 HydrophobicContact CZ-CD1 3.94Å
282	V	81.8	Confident	77.5	Confident	48 Å²	48	55.2 Å²	55.2	29%	0.291	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-48.3	179.9	-178.6	0	0	0	0	110.8	I266 F268 E280 L328	I266-V282 WeakPolarHBondContact O-CB 3.25Å; I266-V282 PolarHBondContact O-N 2.89Å; F268-V282 HydrophobicContact CB-CG2 3.3Å; F268-V282 HydrophobicContact CG-CG2 4.34Å; E280-V282 PolarHBondContact O-N 3.36Å; V282-L328 HydrophobicContact CG1-CD2 4.23Å; V282-L328 HydrophobicContact CG1-CG 4.48Å
283	C	86.6	Confident	78.4	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.014	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	140.6	-173.3	179.9	0	0	0	0	112.1	I266 V285 K332 Q333	I266-C283 PolarHBondContact N-O 3.1Å; I266-C283 PolarHBondContact O-N 3.29Å; C283-V285 WeakPolarHBondContact SG-CG2 3.29Å; C283-K332 PolarHBondContact SG-O 2.89Å; C283-Q333 CarbonylContact C-O 3.21Å; C283-Q333 WeakPolarHBondContact CA-O 3.3Å
284	S	88.8	Confident	79.6	Confident	14 Å²	14	57.2 Å²	57.2	10%	0.098	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.3	166	-66.6	0	0	0	0	109.8	L264 D265 Q333 E334 A335	L264-S284 CarbonylContact O-C 3.52Å; L264-S284 WeakPolarHBondContact O-CA 3.5Å; D265-S284 WeakPolarHBondContact OD1-CB 3.07Å; D265-S284 PolarHBondContact OD1-OG 3.48Å; S284-Q333 PolarHBondContact N-O 2.8Å; S284-E334 WeakPolarHBondContact O-CA 3.43Å; S284-A335 PolarHBondContact O-N 3.48Å
285	V	91.5	Very high	81.2	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.4	-179.1	-173.7	0	0	0	0	110.2	R263 L264 C283 I299 L313 L331 A335 L337	R263-V285 WeakPolarHBondContact CA-O 3.48Å; L264-V285 HydrophobicContact CB-CB 4.38Å; L264-V285 PolarHBondContact N-O 2.9Å; L264-V285 PolarHBondContact O-N 3.24Å; C283-V285 WeakPolarHBondContact SG-CG2 3.29Å; V285-I299 HydrophobicContact CG1-CD1 4.38Å; V285-I299 WeakPolarHBondContact O-CD1 3.12Å; V285-L313 HydrophobicContact CG1-CD1 4.26Å; V285-L331 HydrophobicContact CG2-CD1 3.88Å; V285-L331 HydrophobicContact CG2-CD2 4.32Å; V285-A335 CarbonylContact C-O 3.59Å; V285-A335 VanDerWaalsContact CA-O 3.32Å; V285-A335 WeakPolarHBondContact CA-O 3.43Å; V285-L337 HydrophobicContact CG1-CD1 3.79Å; V285-L337 HydrophobicContact CG1-CG 4.18Å
286	G	90.7	Very high	82.7	Confident	12 Å²	12	62 Å²	62	12%	0.124	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.5	168.8	0	0	0	0	0	111.1	A335 V336 L337	G286-A335 PolarHBondContact N-O 2.97Å; G286-V336 CarbonylContact O-C 3.51Å; G286-V336 WeakPolarHBondContact O-CA 3.44Å; G286-L337 PolarHBondContact O-N 2.84Å
287	I	90.8	Very high	84	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.5	176.3	-58.4	177	0	0	0	109.5	R296 L297 I299 L313 Y315 L337 R339	I287-R296 WeakPolarHBondContact O-CA 3.39Å; I287-L297 HydrophobicContact CB-CB 4.3Å; I287-L297 HydrophobicContact CG2-CB 4.01Å; I287-L297 HydrophobicContact CG2-CD1 4.02Å; I287-L297 HydrophobicContact CG2-CG 4.44Å; I287-L297 PolarHBondContact O-N 3.41Å; I287-I299 HydrophobicContact CD1-CD1 4.23Å; I287-I299 HydrophobicContact CD1-CG1 3.89Å; I287-I299 HydrophobicContact CG1-CD1 4.13Å; I287-I299 HydrophobicContact CG1-CG1 4.1Å; I287-L313 HydrophobicContact CD1-CD1 4.29Å; I287-Y315 HydrophobicContact CD1-CD1 3.36Å; I287-Y315 HydrophobicContact CD1-CD2 4.01Å; I287-Y315 HydrophobicContact CD1-CE1 3.94Å; I287-Y315 HydrophobicContact CD1-CG 3.38Å; I287-Y315 HydrophobicContact CG2-CD2 4.23Å; I287-Y315 HydrophobicContact CG2-CE2 4.36Å; I287-L337 CarbonylContact C-O 3.57Å; I287-L337 WeakPolarHBondContact CA-O 3.24Å; I287-L337 HydrophobicContact CG1-CB 4.32Å; I287-R339 HydrophobicContact CG2-CB 3.89Å; I287-R339 HydrophobicContact CG2-CG 4Å
288	E	89.9	Confident	84.9	Confident	32 Å²	32	56.7 Å²	56.7	15%	0.15	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.2	178.7	-73.5	-178.2	178.5	0	0	110.6	K295 R296 V336 L337 K338 R339	E288-K295 CarbonylContact C-O 3.59Å; E288-K295 WeakPolarHBondContact CA-O 3.33Å; E288-R296 HydrophobicContact CG-CG 3.7Å; E288-R296 IonicContact OE1-CZ 3.66Å; E288-R296 IonicContact OE1-NE 3.04Å; E288-R296 PolarHBondContact OE1-NE 3.16Å; E288-R296 IonicContact OE1-NH2 3.36Å; E288-R296 PolarHBondContact OE1-NH2 2.85Å; E288-V336 HydrophobicContact CB-CG1 4.04Å; E288-V336 VanDerWaalsContact CD-CG1 3.49Å; E288-V336 HydrophobicContact CG-CG1 3.72Å; E288-L337 PolarHBondContact N-O 2.99Å; E288-K338 CarbonylContact O-C 3.49Å; E288-K338 WeakPolarHBondContact O-CA 3.44Å; E288-R339 PolarHBondContact O-N 3.26Å
289	T	86.3	Confident	85.7	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	148.9	176.4	59.4	0	0	0	0	111.2	E291 K295 L297 R339 D341	T289-E291 PolarHBondContact O-N 2.8Å; T289-K295 HydrophobicContact CG2-CB 4.14Å; T289-K295 WeakPolarHBondContact CG2-O 3.37Å; T289-K295 PolarHBondContact N-O 3.24Å; T289-K295 PolarHBondContact OG1-N 3.18Å; T289-K295 PolarHBondContact OG1-O 2.84Å; T289-L297 HydrophobicContact CG2-CD1 4.1Å; T289-L297 HydrophobicContact CG2-CD2 3.73Å; T289-L297 HydrophobicContact CG2-CG 3.77Å; T289-R339 CarbonylContact C-O 3.6Å; T289-R339 VanDerWaalsContact CA-O 3.27Å; T289-R339 WeakPolarHBondContact CA-O 3.49Å; T289-D341 HydrophobicContact CG2-CB 4.23Å
290	N	83.3	Confident	86	Confident	93 Å²	93	55.4 Å²	55.4	50%	0.497	30%	0.302	S	S	.	.	S	Bend	trans	-68.4	-6	172.6	-66.5	-18.7	0	0	0	114.9	K338 R339	N290-K338 VanDerWaalsContact OD1-C 3.32Å; N290-K338 VanDerWaalsContact OD1-CB 3.29Å; N290-K338 WeakPolarHBondContact OD1-CB 3.42Å; N290-R339 PolarHBondContact N-O 2.95Å; N290-R339 VanDerWaalsContact N-O 3.09Å; N290-R339 PolarHBondContact OD1-N 3.43Å
291	E	80.6	Confident	86.2	Confident	85 Å²	85	50.6 Å²	50.6	40%	0.397	28%	0.281	S	S	.	.	S	Bend	trans	-80.2	160.7	-176.1	-58.9	-176.9	175	0	0	113.1	T289 P293 S294 R344	T289-E291 PolarHBondContact O-N 2.8Å; E291-P293 CarbonylContact O-C 3.45Å; E291-S294 VanDerWaalsContact O-CA 3.23Å; E291-S294 WeakPolarHBondContact O-CA 3.37Å; E291-S294 PolarHBondContact O-N 3.41Å; E291-S294 VanDerWaalsContact O-N 3.09Å; E291-R344 WeakPolarHBondContact OE1-CD 3.21Å; E291-R344 IonicContact OE1-CZ 3.69Å; E291-R344 IonicContact OE1-NE 3Å; E291-R344 IonicContact OE1-NH1 3.33Å; E291-R344 PolarHBondContact OE1-NH1 3.4Å; E291-R344 IonicContact OE2-CZ 3.9Å; E291-R344 IonicContact OE2-NH1 2.8Å; E291-R344 PolarHBondContact OE2-NH1 3.24Å
292	S	79.3	Confident	86.4	Confident	122 Å²	122	46.5 Å²	46.5	85%	0.853	26%	0.26	S	S	*	.	S	Bend	trans	-110.8	118	169.8	49.8	0	0	0	0	110.3
293	P	77.6	Confident	86.8	Confident	121 Å²	121	45.7 Å²	45.7	79%	0.786	25%	0.253	S	S	*	.	S	Bend	cis	-74.8	146.6	0.4	31.7	-34.7	0	0	0	112.8	E291 K295	E291-P293 CarbonylContact O-C 3.45Å; P293-K295 PolarHBondContact O-N 2.64Å
294	S	81.9	Confident	86.7	Confident	72 Å²	72	45.8 Å²	45.8	50%	0.503	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-65.5	117.9	178.9	51.6	0	0	0	0	110.4	E291	E291-S294 VanDerWaalsContact O-CA 3.23Å; E291-S294 WeakPolarHBondContact O-CA 3.37Å; E291-S294 PolarHBondContact O-N 3.41Å; E291-S294 VanDerWaalsContact O-N 3.09Å
295	K	87.4	Confident	86	Confident	116 Å²	116	48.4 Å²	48.4	50%	0.504	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-96	140.6	173.5	-172.7	-179.8	176.3	-173.1	0	109.5	E288 T289 P293	E288-K295 CarbonylContact C-O 3.59Å; E288-K295 WeakPolarHBondContact CA-O 3.33Å; T289-K295 HydrophobicContact CG2-CB 4.14Å; T289-K295 WeakPolarHBondContact CG2-O 3.37Å; T289-K295 PolarHBondContact N-O 3.24Å; T289-K295 PolarHBondContact OG1-N 3.18Å; T289-K295 PolarHBondContact OG1-O 2.84Å; P293-K295 PolarHBondContact O-N 2.64Å
296	R	86.4	Confident	84.9	Confident	139 Å²	139	51.2 Å²	51.2	53%	0.525	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.4	171.8	-77	-178.7	-175.7	139.2	7.1	111.2	I287 E288	I287-R296 WeakPolarHBondContact O-CA 3.39Å; E288-R296 HydrophobicContact CG-CG 3.7Å; E288-R296 IonicContact OE1-CZ 3.66Å; E288-R296 IonicContact OE1-NE 3.04Å; E288-R296 PolarHBondContact OE1-NE 3.16Å; E288-R296 IonicContact OE1-NH2 3.36Å; E288-R296 PolarHBondContact OE1-NH2 2.85Å
297	L	89.1	Confident	83.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.9	171.2	-63.8	179.2	0	0	0	108.5	I287 T289 I299 Y315 F317 D341	I287-L297 HydrophobicContact CB-CB 4.3Å; I287-L297 HydrophobicContact CG2-CB 4.01Å; I287-L297 HydrophobicContact CG2-CD1 4.02Å; I287-L297 HydrophobicContact CG2-CG 4.44Å; I287-L297 PolarHBondContact O-N 3.41Å; T289-L297 HydrophobicContact CG2-CD1 4.1Å; T289-L297 HydrophobicContact CG2-CD2 3.73Å; T289-L297 HydrophobicContact CG2-CG 3.77Å; L297-I299 PolarHBondContact O-N 2.95Å; L297-Y315 HydrophobicContact CB-CD2 4.47Å; L297-Y315 HydrophobicContact CD1-CD2 4.08Å; L297-Y315 HydrophobicContact CD1-CE2 4.14Å; L297-F317 HydrophobicContact CD2-CE2 3.93Å; L297-F317 HydrophobicContact CD2-CZ 4.35Å; L297-D341 HydrophobicContact CD2-CB 4.43Å
298	P	90.2	Very high	82.8	Confident	41 Å²	41	58.8 Å²	58.8	27%	0.266	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-71.2	132.4	-178.6	28.2	-32	0	0	0	110.5	Y315 G316 F317	P298-Y315 WeakPolarHBondContact O-CA 3.48Å; P298-G316 WeakPolarHBondContact CG-O 3.49Å; P298-G316 PolarHBondContact O-N 2.79Å; P298-F317 HydrophobicContact CG-CE1 4.33Å
299	I	90.6	Very high	82.3	Confident	3 Å²	3	59 Å²	59	2%	0.015	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121.4	166.1	-58.4	171.4	0	0	0	107.3	T258 G262 L264 V285 I287 L297 L314	T258-I299 HydrophobicContact CG2-CG2 4.03Å; G262-I299 PolarHBondContact O-N 2.9Å; L264-I299 HydrophobicContact CB-CD1 3.67Å; L264-I299 HydrophobicContact CB-CG2 4.21Å; V285-I299 HydrophobicContact CG1-CD1 4.38Å; V285-I299 WeakPolarHBondContact O-CD1 3.12Å; I287-I299 HydrophobicContact CD1-CD1 4.23Å; I287-I299 HydrophobicContact CD1-CG1 3.89Å; I287-I299 HydrophobicContact CG1-CD1 4.13Å; I287-I299 HydrophobicContact CG1-CG1 4.1Å; L297-I299 PolarHBondContact O-N 2.95Å; I299-L314 CarbonylContact C-O 3.58Å
300	L	87.1	Confident	82.2	Confident	58 Å²	58	60.9 Å²	60.9	30%	0.304	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-36.7	-176	-64.1	174.7	0	0	0	111.9	L314 L321	L300-L314 PolarHBondContact N-O 2.87Å; L300-L321 HydrophobicContact CD1-CD2 3.45Å; L300-L321 VanDerWaalsContact CD1-CD2 3.45Å; L300-L321 HydrophobicContact CD1-CG 3.95Å
301	A	86.9	Confident	82.4	Confident	9 Å²	9	56.5 Å²	56.5	7%	0.074	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	165.7	170.7	0	0	0	0	0	111.2	L4 F6 L314	L4-A301 HydrophobicContact CD2-CB 3.2Å; F6-A301 HydrophobicContact CE2-CB 4.01Å; F6-A301 HydrophobicContact CZ-CB 4.3Å; A301-L314 HydrophobicContact CB-CD1 4.27Å; A301-L314 PolarHBondContact N-O 3.49Å; A301-L314 PolarHBondContact O-N 2.81Å
302	A	88.7	Confident	82.8	Confident	2 Å²	2	53.2 Å²	53.2	2%	0.017	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154	169.8	0	0	0	0	0	110.7	T235 M256 L264 V311 T312 L313	T235-A302 WeakPolarHBondContact CB-O 3.34Å; T235-A302 WeakPolarHBondContact CG2-O 3.16Å; T235-A302 PolarHBondContact OG1-O 2.87Å; M256-A302 HydrophobicContact CB-CB 4.34Å; M256-A302 HydrophobicContact CG-CB 4.32Å; M256-A302 VanDerWaalsContact SD-C 3.53Å; M256-A302 HydrophobicContact SD-CB 3.62Å; L264-A302 HydrophobicContact CD1-CB 3.54Å; L264-A302 HydrophobicContact CD2-CB 3.5Å; L264-A302 HydrophobicContact CG-CB 4.18Å; A302-V311 HydrophobicContact CB-CG1 3.96Å; A302-T312 CarbonylContact C-O 3.51Å; A302-T312 VanDerWaalsContact CA-O 3.22Å; A302-T312 WeakPolarHBondContact CA-O 3.29Å; A302-L313 HydrophobicContact CB-CD2 3.74Å
303	H	88.9	Confident	83.3	Confident	30 Å²	30	47.5 Å²	47.5	14%	0.139	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	141.3	175.8	-177	65.8	0	0	0	111.2	F6 T312	F6-H303 HydrophobicContact CB-CB 4.23Å; F6-H303 HydrophobicContact CD1-CB 3.53Å; F6-H303 AromaticContact CD1-CD2 3.94Å; F6-H303 AromaticContact CD1-CG 3.81Å; F6-H303 HydrophobicContact CD2-CB 3.6Å; F6-H303 AromaticContact CD2-CG 3.92Å; F6-H303 HydrophobicContact CE1-CB 3.58Å; F6-H303 HydrophobicContact CE2-CB 3.63Å; F6-H303 HydrophobicContact CG-CB 3.52Å; F6-H303 AromaticContact CG-CD2 3.9Å; F6-H303 AromaticContact CG-CG 3.54Å; F6-H303 HydrophobicContact CZ-CB 3.61Å; H303-T312 PolarHBondContact N-O 3.22Å; H303-T312 PolarHBondContact O-N 2.95Å
304	M	84.3	Confident	83.8	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.02	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136	169.4	-82.8	163.4	80.9	0	0	109.6	A237 Y254 M256 L309 N310 V311 L328	A237-M304 HydrophobicContact CB-CB 3.74Å; A237-M304 WeakPolarHBondContact CB-O 3.44Å; Y254-M304 HydrophobicContact CD2-CE 4.17Å; Y254-M304 HydrophobicContact CE2-CE 4.43Å; Y254-M304 HydrophobicContact CG-CE 4.31Å; Y254-M304 HydrophobicContact CG-SD 4.32Å; M256-M304 HydrophobicContact CE-CB 3.45Å; M256-M304 VanDerWaalsContact CE-CB 3.45Å; M256-M304 HydrophobicContact CE-CG 3.14Å; M256-M304 HydrophobicContact CE-SD 3.13Å; M256-M304 WeakPolarHBondContact CE-SD 3.47Å; M256-M304 HydrophobicContact SD-CG 4.48Å; M304-L309 HydrophobicContact CE-CB 4.39Å; M304-L309 HydrophobicContact CE-CD2 3.73Å; M304-N310 WeakPolarHBondContact CG-O 3.38Å; M304-V311 HydrophobicContact CG-CB 4.12Å; M304-V311 HydrophobicContact CG-CG2 3.57Å; M304-V311 HydrophobicContact SD-CG2 3.68Å; M304-L328 HydrophobicContact SD-CD1 4.33Å
305	L	75.2	Confident	84.2	Confident	69 Å²	69	39.2 Å²	39.2	36%	0.361	21%	0.206	S	C	.	.			trans	-81.7	125.6	170.6	-157.3	84.9	0	0	0	108.7	G8 S307 N308	G8-L305 VanDerWaalsContact C-CD1 3.47Å; G8-L305 VanDerWaalsContact CA-CD1 3.49Å; G8-L305 WeakPolarHBondContact O-CD1 3.33Å; L305-S307 PolarHBondContact O-N 3.09Å; L305-N308 PolarHBondContact O-N 3.14Å
306	S	68.5	Low	84.1	Confident	60 Å²	60	33.7 Å²	33.7	42%	0.42	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-24.5	-174.1	-61.1	0	0	0	0	116.5	T238	T238-S306 WeakPolarHBondContact O-CA 3.04Å; T238-S306 WeakPolarHBondContact O-CB 3.47Å; T238-S306 PolarHBondContact O-OG 2.99Å
307	S	65.9	Low	83.9	Confident	85 Å²	85	29.8 Å²	29.8	59%	0.594	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.6	-179.4	65.3	0	0	0	0	114.4	L305	L305-S307 PolarHBondContact O-N 3.09Å
308	N	69.9	Low	83	Confident	88 Å²	88	31.7 Å²	31.7	47%	0.471	18%	0.183	S	C	.	.	S	Bend	trans	-135.5	142.7	-171.1	-64.8	-40.5	0	0	0	110.6	L305 N310	L305-N308 PolarHBondContact O-N 3.14Å; N308-N310 HydrophobicContact CB-CB 4.22Å; N308-N310 PolarHBondContact O-N 3.21Å
309	L	79.6	Confident	82.2	Confident	38 Å²	38	32.7 Å²	32.7	20%	0.199	19%	0.194	C	C	.	.	S	Bend	trans	-72.5	31.4	170.9	-68.7	170.1	0	0	0	112.5	Y254 M304 L328	Y254-L309 HydrophobicContact CE2-CD2 4.04Å; M304-L309 HydrophobicContact CE-CB 4.39Å; M304-L309 HydrophobicContact CE-CD2 3.73Å; L309-L328 HydrophobicContact CB-CB 4.14Å; L309-L328 HydrophobicContact CD2-CD2 4.16Å; L309-L328 VanDerWaalsContact O-CB 3.31Å; L309-L328 WeakPolarHBondContact O-CB 3.37Å; L309-L328 PolarHBondContact O-N 2.67Å
310	N	84.4	Confident	81.5	Confident	43 Å²	43	37.8 Å²	37.8	23%	0.23	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.2	179.6	-69.4	-14.8	0	0	0	110	M304 N308 L325 L326 H327	M304-N310 WeakPolarHBondContact CG-O 3.38Å; N308-N310 HydrophobicContact CB-CB 4.22Å; N308-N310 PolarHBondContact O-N 3.21Å; N310-L325 HydrophobicContact CB-CD1 3.88Å; N310-L325 HydrophobicContact CB-CG 4.3Å; N310-L326 CarbonylContact C-O 3.56Å; N310-L326 WeakPolarHBondContact CA-O 3.45Å; N310-H327 PolarHBondContact OD1-CD2 3.32Å
311	V	87.1	Confident	81.3	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.5	175.3	-172.9	0	0	0	0	108.5	M256 L264 I266 A302 M304 L313 L326 L328	M256-V311 HydrophobicContact SD-CG1 4.18Å; L264-V311 HydrophobicContact CD2-CG1 4.45Å; I266-V311 HydrophobicContact CD1-CG1 4.42Å; I266-V311 HydrophobicContact CD1-CG2 3.94Å; A302-V311 HydrophobicContact CB-CG1 3.96Å; M304-V311 HydrophobicContact CG-CB 4.12Å; M304-V311 HydrophobicContact CG-CG2 3.57Å; M304-V311 HydrophobicContact SD-CG2 3.68Å; V311-L313 HydrophobicContact CG1-CD2 3.74Å; V311-L313 HydrophobicContact CG1-CG 4.49Å; V311-L326 PolarHBondContact N-O 3.37Å; V311-L326 PolarHBondContact O-N 2.78Å; V311-L328 HydrophobicContact CG2-CD1 3.93Å
312	T	88.7	Confident	81.2	Confident	16 Å²	16	36.8 Å²	36.8	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.8	167.4	-54.8	0	0	0	0	108.5	C24 A302 H303 I323 E324 L325	C24-T312 HydrophobicContact CB-CG2 3.78Å; A302-T312 CarbonylContact C-O 3.51Å; A302-T312 VanDerWaalsContact CA-O 3.22Å; A302-T312 WeakPolarHBondContact CA-O 3.29Å; H303-T312 PolarHBondContact N-O 3.22Å; H303-T312 PolarHBondContact O-N 2.95Å; T312-I323 HydrophobicContact CG2-CG2 3.64Å; T312-E324 CarbonylContact C-O 3.54Å; T312-E324 WeakPolarHBondContact CA-O 3.34Å; T312-L325 WeakPolarHBondContact OG1-CD1 3.31Å
313	L	89.9	Confident	81.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.7	174.7	-62.5	-169.5	0	0	0	111.3	L264 V285 I287 A302 V311 I323 E324 L326 L337	L264-L313 HydrophobicContact CD2-CD2 3.31Å; V285-L313 HydrophobicContact CG1-CD1 4.26Å; I287-L313 HydrophobicContact CD1-CD1 4.29Å; A302-L313 HydrophobicContact CB-CD2 3.74Å; V311-L313 HydrophobicContact CG1-CD2 3.74Å; V311-L313 HydrophobicContact CG1-CG 4.49Å; L313-I323 WeakPolarHBondContact O-CA 3.42Å; L313-E324 HydrophobicContact CB-CB 4.46Å; L313-E324 PolarHBondContact N-O 3.27Å; L313-E324 PolarHBondContact O-N 3.19Å; L313-L326 HydrophobicContact CD1-CD1 3.27Å; L313-L326 HydrophobicContact CD1-CG 4.26Å; L313-L326 HydrophobicContact CG-CD1 3.88Å; L313-L337 HydrophobicContact CD1-CD1 4.35Å
314	L	89.1	Confident	81	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.1	167.9	-57.8	172.7	0	0	0	108.6	L4 F6 L11 I299 L300 A301 A322 I323	L4-L314 HydrophobicContact CD1-CD1 3.97Å; L4-L314 HydrophobicContact CD2-CD1 3.77Å; L4-L314 HydrophobicContact CG-CD1 4.48Å; F6-L314 HydrophobicContact CE1-CD1 3.86Å; F6-L314 HydrophobicContact CE1-CG 4.38Å; F6-L314 HydrophobicContact CE2-CD1 4.24Å; F6-L314 HydrophobicContact CZ-CD1 3.34Å; F6-L314 HydrophobicContact CZ-CG 4.02Å; L11-L314 HydrophobicContact CD1-CD1 3.9Å; L11-L314 HydrophobicContact CD2-CD1 3.27Å; L11-L314 HydrophobicContact CD2-CD2 3.59Å; L11-L314 HydrophobicContact CD2-CG 4.06Å; L11-L314 HydrophobicContact CG-CD1 4.15Å; I299-L314 CarbonylContact C-O 3.58Å; L300-L314 PolarHBondContact N-O 2.87Å; A301-L314 HydrophobicContact CB-CD1 4.27Å; A301-L314 PolarHBondContact N-O 3.49Å; A301-L314 PolarHBondContact O-N 2.81Å; L314-A322 WeakPolarHBondContact CA-O 3.48Å; L314-I323 HydrophobicContact CD2-CB 4.16Å; L314-I323 HydrophobicContact CD2-CD1 3.99Å; L314-I323 HydrophobicContact CD2-CG1 3.59Å; L314-I323 HydrophobicContact CD2-CG2 3.99Å
315	Y	89.5	Confident	81.1	Confident	19 Å²	19	39.9 Å²	39.9	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	162	179.3	66.6	-90.1	0	0	0	111.6	I287 L297 P298 A322 E324 R339	I287-Y315 HydrophobicContact CD1-CD1 3.36Å; I287-Y315 HydrophobicContact CD1-CD2 4.01Å; I287-Y315 HydrophobicContact CD1-CE1 3.94Å; I287-Y315 HydrophobicContact CD1-CG 3.38Å; I287-Y315 HydrophobicContact CG2-CD2 4.23Å; I287-Y315 HydrophobicContact CG2-CE2 4.36Å; L297-Y315 HydrophobicContact CB-CD2 4.47Å; L297-Y315 HydrophobicContact CD1-CD2 4.08Å; L297-Y315 HydrophobicContact CD1-CE2 4.14Å; P298-Y315 WeakPolarHBondContact O-CA 3.48Å; Y315-A322 HydrophobicContact CD1-CB 4.29Å; Y315-A322 HydrophobicContact CD2-CB 4.07Å; Y315-A322 HydrophobicContact CE1-CB 3.86Å; Y315-A322 HydrophobicContact CE2-CB 3.59Å; Y315-A322 HydrophobicContact CG-CB 4.4Å; Y315-A322 VanDerWaalsContact CZ-CB 3.48Å; Y315-A322 PolarHBondContact N-O 2.62Å; Y315-A322 PolarHBondContact O-N 2.93Å; Y315-E324 HydrophobicContact CE1-CB 3.88Å; Y315-E324 WeakPolarHBondContact CE1-OE2 3.3Å; Y315-E324 PolarHBondContact OH-OE2 2.88Å; Y315-R339 HydrophobicContact CE2-CB 4.15Å; Y315-R339 HydrophobicContact CE2-CG 4.48Å
316	G	85.9	Confident	81.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.7	-152.5	-178	0	0	0	0	0	111.7	P298	P298-G316 WeakPolarHBondContact CG-O 3.49Å; P298-G316 PolarHBondContact O-N 2.79Å
317	F	82.2	Confident	82.2	Confident	57 Å²	57	38.5 Å²	38.5	25%	0.25	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	157.9	-170.4	-61	-85.7	0	0	0	110.5	L297 P298 A319 R320 L343	L297-F317 HydrophobicContact CD2-CE2 3.93Å; L297-F317 HydrophobicContact CD2-CZ 4.35Å; P298-F317 HydrophobicContact CG-CE1 4.33Å; F317-A319 PolarHBondContact O-N 2.87Å; F317-R320 PolarHBondContact N-O 3.01Å; F317-R320 VanDerWaalsContact N-O 3.1Å; F317-R320 CarbonylContact O-C 3.59Å; F317-R320 PolarHBondContact O-N 3.34Å; F317-L343 HydrophobicContact CB-CD1 4.22Å; F317-L343 HydrophobicContact CB-CD2 4.47Å; F317-L343 HydrophobicContact CB-CG 4.46Å; F317-L343 HydrophobicContact CD2-CD1 3.22Å; F317-L343 HydrophobicContact CD2-CG 3.65Å; F317-L343 HydrophobicContact CE2-CD1 3.64Å; F317-L343 HydrophobicContact CE2-CG 4.31Å; F317-L343 HydrophobicContact CG-CD1 3.78Å; F317-L343 HydrophobicContact CG-CG 4.36Å
318	S	69.3	Low	82.8	Confident	41 Å²	41	35 Å²	35	29%	0.287	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.3	178.8	-167.9	0	0	0	0	112.4	R20	R20-S318 PolarHBondContact NH2-O 3.36Å
319	A	73.8	Confident	83.2	Confident	62 Å²	62	36.4 Å²	36.4	51%	0.512	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.4	175.2	0	0	0	0	0	113.6	F317 L343	F317-A319 PolarHBondContact O-N 2.87Å; A319-L343 HydrophobicContact CB-CD2 4.27Å
320	R	76	Confident	83.2	Confident	110 Å²	110	40.1 Å²	40.1	42%	0.415	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	120.4	179.6	-64.5	-171.1	72.3	136.8	-2.9	111.5	F317 L343	F317-R320 PolarHBondContact N-O 3.01Å; F317-R320 VanDerWaalsContact N-O 3.1Å; F317-R320 CarbonylContact O-C 3.59Å; F317-R320 PolarHBondContact O-N 3.34Å; R320-L343 HydrophobicContact CB-CD2 4.14Å; R320-L343 HydrophobicContact CG-CD2 4.32Å
321	L	83.1	Confident	82.8	Confident	25 Å²	25	39.6 Å²	39.6	13%	0.131	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147.4	178.4	-61.1	92.5	0	0	0	110.7	L13 L300	L13-L321 HydrophobicContact CD2-CD1 3.49Å; L13-L321 VanDerWaalsContact CD2-CD1 3.49Å; L13-L321 HydrophobicContact CD2-CD2 3.85Å; L13-L321 HydrophobicContact CD2-CG 4.37Å; L300-L321 HydrophobicContact CD1-CD2 3.45Å; L300-L321 VanDerWaalsContact CD1-CD2 3.45Å; L300-L321 HydrophobicContact CD1-CG 3.95Å
322	A	84.9	Confident	82.5	Confident	21 Å²	21	47.7 Å²	47.7	17%	0.174	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.2	166.2	0	0	0	0	0	109.7	L314 Y315 P342	L314-A322 WeakPolarHBondContact CA-O 3.48Å; Y315-A322 HydrophobicContact CD1-CB 4.29Å; Y315-A322 HydrophobicContact CD2-CB 4.07Å; Y315-A322 HydrophobicContact CE1-CB 3.86Å; Y315-A322 HydrophobicContact CE2-CB 3.59Å; Y315-A322 HydrophobicContact CG-CB 4.4Å; Y315-A322 VanDerWaalsContact CZ-CB 3.48Å; Y315-A322 PolarHBondContact N-O 2.62Å; Y315-A322 PolarHBondContact O-N 2.93Å; A322-P342 HydrophobicContact CB-CB 4.2Å; A322-P342 HydrophobicContact CB-CG 4.5Å
323	I	87.5	Confident	82.1	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.082	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.3	177.2	-47.7	-171.6	0	0	0	108.5	Y22 C24 R27 T312 L313 L314	Y22-I323 HydrophobicContact CD1-CD1 4.07Å; Y22-I323 HydrophobicContact CG-CD1 4.02Å; C24-I323 HydrophobicContact CB-CG2 4.38Å; R27-I323 HydrophobicContact CB-CB 4.29Å; R27-I323 VanDerWaalsContact CD-O 3.29Å; R27-I323 WeakPolarHBondContact CD-O 3.4Å; R27-I323 HydrophobicContact CG-CB 4.21Å; R27-I323 HydrophobicContact CG-CG2 4.4Å; T312-I323 HydrophobicContact CG2-CG2 3.64Å; L313-I323 WeakPolarHBondContact O-CA 3.42Å; L314-I323 HydrophobicContact CD2-CB 4.16Å; L314-I323 HydrophobicContact CD2-CD1 3.99Å; L314-I323 HydrophobicContact CD2-CG1 3.59Å; L314-I323 HydrophobicContact CD2-CG2 3.99Å
324	E	86.3	Confident	81.8	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.028	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.6	177.9	-175.9	173.9	157.9	0	0	110.7	T312 L313 Y315 L326 R339	T312-E324 CarbonylContact C-O 3.54Å; T312-E324 WeakPolarHBondContact CA-O 3.34Å; L313-E324 HydrophobicContact CB-CB 4.46Å; L313-E324 PolarHBondContact N-O 3.27Å; L313-E324 PolarHBondContact O-N 3.19Å; Y315-E324 HydrophobicContact CE1-CB 3.88Å; Y315-E324 WeakPolarHBondContact CE1-OE2 3.3Å; Y315-E324 PolarHBondContact OH-OE2 2.88Å; E324-L326 HydrophobicContact CG-CD2 4.31Å; E324-L326 HydrophobicContact CG-CG 4.29Å; E324-L326 VanDerWaalsContact OE1-CD2 3.27Å; E324-L326 WeakPolarHBondContact OE1-CD2 3.3Å; E324-R339 VanDerWaalsContact CD-NE 3.32Å; E324-R339 VanDerWaalsContact CD-NH2 3.29Å; E324-R339 IonicContact OE1-CZ 2.67Å; E324-R339 VanDerWaalsContact OE1-CZ 3.24Å; E324-R339 IonicContact OE1-NE 3.78Å; E324-R339 PolarHBondContact OE1-NE 3.48Å; E324-R339 IonicContact OE1-NH2 2.65Å; E324-R339 PolarHBondContact OE1-NH2 2.55Å; E324-R339 IonicContact OE2-CZ 3.69Å; E324-R339 IonicContact OE2-NE 3.16Å; E324-R339 PolarHBondContact OE2-NE 3.4Å; E324-R339 IonicContact OE2-NH2 2.99Å
325	L	85.7	Confident	81.6	Confident	79 Å²	79	62 Å²	62	41%	0.414	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.4	176	-171.7	72.1	0	0	0	108.2	N310 T312	N310-L325 HydrophobicContact CB-CD1 3.88Å; N310-L325 HydrophobicContact CB-CG 4.3Å; T312-L325 WeakPolarHBondContact OG1-CD1 3.31Å
326	L	85.2	Confident	81.4	Confident	25 Å²	25	65 Å²	65	13%	0.131	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.6	178.2	-67.3	177	0	0	0	110.3	N310 V311 L313 E324 L331 L337	N310-L326 CarbonylContact C-O 3.56Å; N310-L326 WeakPolarHBondContact CA-O 3.45Å; V311-L326 PolarHBondContact N-O 3.37Å; V311-L326 PolarHBondContact O-N 2.78Å; L313-L326 HydrophobicContact CD1-CD1 3.27Å; L313-L326 HydrophobicContact CD1-CG 4.26Å; L313-L326 HydrophobicContact CG-CD1 3.88Å; E324-L326 HydrophobicContact CG-CD2 4.31Å; E324-L326 HydrophobicContact CG-CG 4.29Å; E324-L326 VanDerWaalsContact OE1-CD2 3.27Å; E324-L326 WeakPolarHBondContact OE1-CD2 3.3Å; L326-L331 HydrophobicContact CD1-CD2 4.3Å; L326-L337 HydrophobicContact CD1-CD1 3.48Å; L326-L337 VanDerWaalsContact CD1-CD1 3.48Å; L326-L337 HydrophobicContact CD2-CD1 4.35Å
327	H	82.8	Confident	81.5	Confident	74 Å²	74	66.6 Å²	66.6	34%	0.343	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.1	172.7	-172.4	-76.7	0	0	0	109.2	N310 N329 T330	N310-H327 PolarHBondContact OD1-CD2 3.32Å; H327-N329 VanDerWaalsContact C-N 3.32Å; H327-N329 VanDerWaalsContact CE1-CG 3.47Å; H327-N329 PolarHBondContact ND1-N 3.46Å; H327-N329 PolarHBondContact O-N 3.2Å; H327-T330 WeakPolarHBondContact O-CB 3.38Å; H327-T330 PolarHBondContact O-N 3.06Å
328	L	77.9	Confident	81.7	Confident	13 Å²	13	71 Å²	71	7%	0.068	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-55.3	-44.3	-173.6	-167.2	91.1	0	0	0	112	Y254 I266 V282 M304 L309 V311 T330 L331	Y254-L328 HydrophobicContact CE1-CD2 3.93Å; I266-L328 HydrophobicContact CD1-CD1 3.79Å; I266-L328 HydrophobicContact CG2-CD1 4.13Å; V282-L328 HydrophobicContact CG1-CD2 4.23Å; V282-L328 HydrophobicContact CG1-CG 4.48Å; M304-L328 HydrophobicContact SD-CD1 4.33Å; L309-L328 HydrophobicContact CB-CB 4.14Å; L309-L328 HydrophobicContact CD2-CD2 4.16Å; L309-L328 VanDerWaalsContact O-CB 3.31Å; L309-L328 WeakPolarHBondContact O-CB 3.37Å; L309-L328 PolarHBondContact O-N 2.67Å; V311-L328 HydrophobicContact CG2-CD1 3.93Å; L328-T330 PolarHBondContact O-N 2.85Å; L328-T330 VanDerWaalsContact O-N 3.09Å; L328-L331 WeakPolarHBondContact O-CB 3.28Å; L328-L331 PolarHBondContact O-N 3.16Å
329	N	78.4	Confident	82.7	Confident	116 Å²	116	73.8 Å²	73.8	62%	0.62	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-66.4	-14.1	-177.8	-56.7	6.8	0	0	0	114.2	H327 L331	H327-N329 VanDerWaalsContact C-N 3.32Å; H327-N329 VanDerWaalsContact CE1-CG 3.47Å; H327-N329 PolarHBondContact ND1-N 3.46Å; H327-N329 PolarHBondContact O-N 3.2Å; N329-L331 VanDerWaalsContact C-N 3.34Å
330	T	79.6	Confident	83.1	Confident	117 Å²	117	76.2 Å²	76.2	72%	0.718	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-84.2	-16.1	177.9	-51.5	0	0	0	0	111.6	H327 L328	H327-T330 WeakPolarHBondContact O-CB 3.38Å; H327-T330 PolarHBondContact O-N 3.06Å; L328-T330 PolarHBondContact O-N 2.85Å; L328-T330 VanDerWaalsContact O-N 3.09Å
331	L	76.8	Confident	83.3	Confident	32 Å²	32	71.6 Å²	71.6	17%	0.168	36%	0.355	C	S	.	.			trans	-84.9	137.1	-176.3	-62.5	170.1	0	0	0	110.9	V285 L326 L328 N329 A335	V285-L331 HydrophobicContact CG2-CD1 3.88Å; V285-L331 HydrophobicContact CG2-CD2 4.32Å; L326-L331 HydrophobicContact CD1-CD2 4.3Å; L328-L331 WeakPolarHBondContact O-CB 3.28Å; L328-L331 PolarHBondContact O-N 3.16Å; N329-L331 VanDerWaalsContact C-N 3.34Å; L331-A335 HydrophobicContact CD2-CB 4Å
332	K	79.8	Confident	83.1	Confident	170 Å²	170	71 Å²	71	74%	0.739	35%	0.352	S	S	*	.			trans	-76.8	164.5	165.8	-63	-176.5	179.7	-177.1	0	109.3	C283 E334	C283-K332 PolarHBondContact SG-O 2.89Å; K332-E334 PolarHBondContact O-N 2.93Å; K332-E334 VanDerWaalsContact O-N 3.15Å
333	Q	80	Confident	82.6	Confident	155 Å²	155	73.3 Å²	73.3	72%	0.724	36%	0.362	S	S	*	.	S	Bend	trans	-50.9	-38.7	175.4	-78.7	-179.3	-20.4	0	0	112.7	C283 S284	C283-Q333 CarbonylContact C-O 3.21Å; C283-Q333 WeakPolarHBondContact CA-O 3.3Å; S284-Q333 PolarHBondContact N-O 2.8Å
334	E	83	Confident	81.7	Confident	151 Å²	151	80.1 Å²	80.1	71%	0.706	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.9	167.8	-64.7	-172.5	163.9	0	0	109.4	S284 K332	S284-E334 WeakPolarHBondContact O-CA 3.43Å; K332-E334 PolarHBondContact O-N 2.93Å; K332-E334 VanDerWaalsContact O-N 3.15Å
335	A	85.1	Confident	80.6	Confident	14 Å²	14	81 Å²	81	12%	0.116	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.6	-178.5	0	0	0	0	0	110.7	S284 V285 G286 L331	S284-A335 PolarHBondContact O-N 3.48Å; V285-A335 CarbonylContact C-O 3.59Å; V285-A335 VanDerWaalsContact CA-O 3.32Å; V285-A335 WeakPolarHBondContact CA-O 3.43Å; G286-A335 PolarHBondContact N-O 2.97Å; L331-A335 HydrophobicContact CD2-CB 4Å
336	V	86.1	Confident	79	Confident	82 Å²	82	86.7 Å²	86.7	50%	0.497	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.2	170.4	-178.6	0	0	0	0	108.5	G286 E288	G286-V336 CarbonylContact O-C 3.51Å; G286-V336 WeakPolarHBondContact O-CA 3.44Å; E288-V336 HydrophobicContact CB-CG1 4.04Å; E288-V336 VanDerWaalsContact CD-CG1 3.49Å; E288-V336 HydrophobicContact CG-CG1 3.72Å
337	L	87.5	Confident	77.5	Confident	33 Å²	33	89 Å²	89	17%	0.173	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.7	-178.8	-57.6	175.3	0	0	0	110	V285 G286 I287 E288 L313 L326	V285-L337 HydrophobicContact CG1-CD1 3.79Å; V285-L337 HydrophobicContact CG1-CG 4.18Å; G286-L337 PolarHBondContact O-N 2.84Å; I287-L337 CarbonylContact C-O 3.57Å; I287-L337 WeakPolarHBondContact CA-O 3.24Å; I287-L337 HydrophobicContact CG1-CB 4.32Å; E288-L337 PolarHBondContact N-O 2.99Å; L313-L337 HydrophobicContact CD1-CD1 4.35Å; L326-L337 HydrophobicContact CD1-CD1 3.48Å; L326-L337 VanDerWaalsContact CD1-CD1 3.48Å; L326-L337 HydrophobicContact CD2-CD1 4.35Å
338	K	87.3	Confident	76.2	Confident	150 Å²	150	86.3 Å²	86.3	65%	0.652	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.9	177.2	-75.6	-169.2	179.7	-176.5	0	110.2	E288 N290	E288-K338 CarbonylContact O-C 3.49Å; E288-K338 WeakPolarHBondContact O-CA 3.44Å; N290-K338 VanDerWaalsContact OD1-C 3.32Å; N290-K338 VanDerWaalsContact OD1-CB 3.29Å; N290-K338 WeakPolarHBondContact OD1-CB 3.42Å
339	R	88.6	Confident	75	Confident	99 Å²	99	88.1 Å²	88.1	37%	0.374	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161.8	-176.7	-66.1	-63.7	-177.8	-167.1	-7.1	111.7	I287 E288 T289 N290 Y315 E324	I287-R339 HydrophobicContact CG2-CB 3.89Å; I287-R339 HydrophobicContact CG2-CG 4Å; E288-R339 PolarHBondContact O-N 3.26Å; T289-R339 CarbonylContact C-O 3.6Å; T289-R339 VanDerWaalsContact CA-O 3.27Å; T289-R339 WeakPolarHBondContact CA-O 3.49Å; N290-R339 PolarHBondContact N-O 2.95Å; N290-R339 VanDerWaalsContact N-O 3.09Å; N290-R339 PolarHBondContact OD1-N 3.43Å; Y315-R339 HydrophobicContact CE2-CB 4.15Å; Y315-R339 HydrophobicContact CE2-CG 4.48Å; E324-R339 VanDerWaalsContact CD-NE 3.32Å; E324-R339 VanDerWaalsContact CD-NH2 3.29Å; E324-R339 IonicContact OE1-CZ 2.67Å; E324-R339 VanDerWaalsContact OE1-CZ 3.24Å; E324-R339 IonicContact OE1-NE 3.78Å; E324-R339 PolarHBondContact OE1-NE 3.48Å; E324-R339 IonicContact OE1-NH2 2.65Å; E324-R339 PolarHBondContact OE1-NH2 2.55Å; E324-R339 IonicContact OE2-CZ 3.69Å; E324-R339 IonicContact OE2-NE 3.16Å; E324-R339 PolarHBondContact OE2-NE 3.4Å; E324-R339 IonicContact OE2-NH2 2.99Å
340	E	83	Confident	73.9	Confident	112 Å²	112	88.5 Å²	88.5	52%	0.523	43%	0.433	S	S	.	.			trans	-77.2	148.1	171	-64.6	-171.7	170.7	0	0	110	P342	E340-P342 WeakPolarHBondContact O-CD 3.43Å
341	D	81.4	Confident	72.7	Confident	13 Å²	13	88 Å²	88	7%	0.07	43%	0.426	C	S	.	.			trans	-67.7	121.5	174.8	-173.3	-14	0	0	0	109.6	T289 L297 L343 R344 S345	T289-D341 HydrophobicContact CG2-CB 4.23Å; L297-D341 HydrophobicContact CD2-CB 4.43Å; D341-L343 PolarHBondContact O-N 3.09Å; D341-L343 VanDerWaalsContact O-N 3.15Å; D341-L343 WeakPolarHBondContact OD1-CB 3.31Å; D341-L343 PolarHBondContact OD1-N 2.92Å; D341-R344 HydrophobicContact CB-CB 4.28Å; D341-R344 HydrophobicContact CB-CG 4.43Å; D341-R344 PolarHBondContact O-N 2.54Å; D341-S345 PolarHBondContact O-N 3.35Å; D341-S345 VanDerWaalsContact O-N 3.12Å
342	P	76.9	Confident	71.6	Confident	13 Å²	13	92.2 Å²	92.2	8%	0.084	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.3	177.3	21.3	-31.8	0	0	0	113.3	A322 E340 R344 S345	A322-P342 HydrophobicContact CB-CB 4.2Å; A322-P342 HydrophobicContact CB-CG 4.5Å; E340-P342 WeakPolarHBondContact O-CD 3.43Å; P342-R344 VanDerWaalsContact C-N 3.33Å; P342-S345 PolarHBondContact O-OG 3.17Å
343	L	74.6	Confident	70.3	Confident	70 Å²	70	89.3 Å²	89.3	37%	0.366	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-27	175.5	-68.5	174.1	0	0	0	113.2	F317 A319 R320 D341 I348	F317-L343 HydrophobicContact CB-CD1 4.22Å; F317-L343 HydrophobicContact CB-CD2 4.47Å; F317-L343 HydrophobicContact CB-CG 4.46Å; F317-L343 HydrophobicContact CD2-CD1 3.22Å; F317-L343 HydrophobicContact CD2-CG 3.65Å; F317-L343 HydrophobicContact CE2-CD1 3.64Å; F317-L343 HydrophobicContact CE2-CG 4.31Å; F317-L343 HydrophobicContact CG-CD1 3.78Å; F317-L343 HydrophobicContact CG-CG 4.36Å; A319-L343 HydrophobicContact CB-CD2 4.27Å; R320-L343 HydrophobicContact CB-CD2 4.14Å; R320-L343 HydrophobicContact CG-CD2 4.32Å; D341-L343 PolarHBondContact O-N 3.09Å; D341-L343 VanDerWaalsContact O-N 3.15Å; D341-L343 WeakPolarHBondContact OD1-CB 3.31Å; D341-L343 PolarHBondContact OD1-N 2.92Å; L343-I348 VanDerWaalsContact O-CD1 3.32Å; L343-I348 WeakPolarHBondContact O-CD1 3.31Å
344	R	69.8	Low	69.2	Low	158 Å²	158	85 Å²	85	60%	0.596	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-3.7	-173	-66.2	-175.4	175.5	-178.5	3.7	114.6	E291 D341 P342 R346	E291-R344 WeakPolarHBondContact OE1-CD 3.21Å; E291-R344 IonicContact OE1-CZ 3.69Å; E291-R344 IonicContact OE1-NE 3Å; E291-R344 IonicContact OE1-NH1 3.33Å; E291-R344 PolarHBondContact OE1-NH1 3.4Å; E291-R344 IonicContact OE2-CZ 3.9Å; E291-R344 IonicContact OE2-NH1 2.8Å; E291-R344 PolarHBondContact OE2-NH1 3.24Å; D341-R344 HydrophobicContact CB-CB 4.28Å; D341-R344 HydrophobicContact CB-CG 4.43Å; D341-R344 PolarHBondContact O-N 2.54Å; P342-R344 VanDerWaalsContact C-N 3.33Å; R344-R346 PolarHBondContact O-N 3.35Å
345	S	63.1	Low	67.9	Low	24 Å²	24	83.6 Å²	83.6	17%	0.168	42%	0.42	C	S	.	.			trans	-46.5	132	-176.5	57.7	0	0	0	0	112.5	D341 P342 S347 I348	D341-S345 PolarHBondContact O-N 3.35Å; D341-S345 VanDerWaalsContact O-N 3.12Å; P342-S345 PolarHBondContact O-OG 3.17Å; S345-S347 PolarHBondContact O-N 3.12Å; S345-I348 VanDerWaalsContact O-CB 3.28Å; S345-I348 WeakPolarHBondContact O-CB 3.27Å; S345-I348 VanDerWaalsContact O-CG1 3.31Å; S345-I348 WeakPolarHBondContact O-CG1 3.43Å; S345-I348 PolarHBondContact O-N 2.84Å; S345-I348 WeakPolarHBondContact OG-CD1 3.24Å
346	R	51.6	Low	66.4	Low	199 Å²	199	85.7 Å²	85.7	75%	0.751	43%	0.434	S	S	*	.	H	α-helix	trans	-57.2	-23.1	-170.9	-69.1	178.1	178.5	171.2	0.2	114.7	R344 I348 A349 L350	R344-R346 PolarHBondContact O-N 3.35Å; R346-I348 PolarHBondContact O-N 2.96Å; R346-A349 PolarHBondContact O-N 3.26Å; R346-L350 PolarHBondContact O-N 3.2Å
347	S	54.9	Low	64.6	Low	74 Å²	74	90.3 Å²	90.3	52%	0.517	45%	0.447	S	S	.	.	H	α-helix	trans	-59.2	-30.2	173	52.6	0	0	0	0	112	S345 L351	S345-S347 PolarHBondContact O-N 3.12Å; S347-L351 WeakPolarHBondContact O-CB 3.05Å; S347-L351 PolarHBondContact O-N 3.4Å
348	I	54.5	Low	62.6	Low	18 Å²	18	93.9 Å²	93.9	9%	0.092	47%	0.47	C	S	.	.	H	α-helix	trans	-72.7	-45.7	175.5	-52.2	173.8	0	0	0	110.8	L343 S345 R346 L350 L351 E352	L343-I348 VanDerWaalsContact O-CD1 3.32Å; L343-I348 WeakPolarHBondContact O-CD1 3.31Å; S345-I348 VanDerWaalsContact O-CB 3.28Å; S345-I348 WeakPolarHBondContact O-CB 3.27Å; S345-I348 VanDerWaalsContact O-CG1 3.31Å; S345-I348 WeakPolarHBondContact O-CG1 3.43Å; S345-I348 PolarHBondContact O-N 2.84Å; S345-I348 WeakPolarHBondContact OG-CD1 3.24Å; R346-I348 PolarHBondContact O-N 2.96Å; I348-L350 PolarHBondContact O-N 3.45Å; I348-L351 CarbonylContact O-C 3.58Å; I348-L351 PolarHBondContact O-N 2.9Å; I348-E352 HydrophobicContact CG2-CG 3.83Å; I348-E352 VanDerWaalsContact O-CB 3.29Å; I348-E352 WeakPolarHBondContact O-CB 3.4Å; I348-E352 PolarHBondContact O-N 3.09Å
349	A	52.8	Low	60.5	Low	50 Å²	50	96.2 Å²	96.2	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-56.8	-37.3	176.2	0	0	0	0	0	110.9	R346 N353	R346-A349 PolarHBondContact O-N 3.26Å; A349-N353 WeakPolarHBondContact O-CB 3.31Å; A349-N353 PolarHBondContact O-N 2.79Å; A349-N353 PolarHBondContact O-ND2 3.37Å; A349-N353 PolarHBondContact O-OD1 3.02Å
350	L	56.2	Low	58.6	Low	125 Å²	125	101.6 Å²	101.6	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-73.1	-39.9	174.4	-66.2	174.4	0	0	0	113.1	R346 I348 N353 S354	R346-L350 PolarHBondContact O-N 3.2Å; I348-L350 PolarHBondContact O-N 3.45Å; L350-N353 PolarHBondContact O-N 2.9Å; L350-S354 WeakPolarHBondContact O-CB 3.28Å; L350-S354 PolarHBondContact O-N 3.29Å
351	L	54.5	Low	56.7	Low	106 Å²	106	101.3 Å²	101.3	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-71.7	-45.1	179.6	-151.2	94.9	0	0	0	111.9	S347 I348 N353 S354 I355	S347-L351 WeakPolarHBondContact O-CB 3.05Å; S347-L351 PolarHBondContact O-N 3.4Å; I348-L351 CarbonylContact O-C 3.58Å; I348-L351 PolarHBondContact O-N 2.9Å; L351-N353 VanDerWaalsContact C-N 3.31Å; L351-N353 PolarHBondContact O-N 3.31Å; L351-S354 WeakPolarHBondContact CA-OG 3.39Å; L351-S354 CarbonylContact O-C 3.51Å; L351-S354 WeakPolarHBondContact O-CA 3.17Å; L351-S354 WeakPolarHBondContact O-CB 3.33Å; L351-S354 PolarHBondContact O-N 3.04Å; L351-S354 PolarHBondContact O-OG 2.96Å; L351-I355 HydrophobicContact CD2-CD1 3.73Å; L351-I355 HydrophobicContact CG-CD1 4.04Å; L351-I355 VanDerWaalsContact O-CG1 3.31Å; L351-I355 WeakPolarHBondContact O-CG1 3.1Å; L351-I355 PolarHBondContact O-N 3.48Å
352	E	52.3	Low	55.7	Low	121 Å²	121	108.6 Å²	108.6	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-60	-40.4	171.3	-75.7	-176.4	171.2	0	0	110.7	I348 S354 I355 S356	I348-E352 HydrophobicContact CG2-CG 3.83Å; I348-E352 VanDerWaalsContact O-CB 3.29Å; I348-E352 WeakPolarHBondContact O-CB 3.4Å; I348-E352 PolarHBondContact O-N 3.09Å; E352-S354 PolarHBondContact O-N 3.42Å; E352-I355 PolarHBondContact O-N 3.15Å; E352-S356 WeakPolarHBondContact O-CA 3.43Å; E352-S356 WeakPolarHBondContact O-CB 3.27Å; E352-S356 PolarHBondContact O-N 2.92Å; E352-S356 PolarHBondContact O-OG 3.26Å
353	N	53	Low	54.4	Low	108 Å²	108	113.2 Å²	113.2	58%	0.578	57%	0.574	S	S	*	*	H	α-helix	trans	-64.4	-30.1	172.5	-73.3	-16.9	0	0	0	112.6	A349 L350 L351	A349-N353 WeakPolarHBondContact O-CB 3.31Å; A349-N353 PolarHBondContact O-N 2.79Å; A349-N353 PolarHBondContact O-ND2 3.37Å; A349-N353 PolarHBondContact O-OD1 3.02Å; L350-N353 PolarHBondContact O-N 2.9Å; L351-N353 VanDerWaalsContact C-N 3.31Å; L351-N353 PolarHBondContact O-N 3.31Å
354	S	56.5	Low	53.2	Low	65 Å²	65	113.5 Å²	113.5	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-78.8	-36.7	176.2	73.6	0	0	0	0	113.5	L350 L351 E352	L350-S354 WeakPolarHBondContact O-CB 3.28Å; L350-S354 PolarHBondContact O-N 3.29Å; L351-S354 WeakPolarHBondContact CA-OG 3.39Å; L351-S354 CarbonylContact O-C 3.51Å; L351-S354 WeakPolarHBondContact O-CA 3.17Å; L351-S354 WeakPolarHBondContact O-CB 3.33Å; L351-S354 PolarHBondContact O-N 3.04Å; L351-S354 PolarHBondContact O-OG 2.96Å; E352-S354 PolarHBondContact O-N 3.42Å
355	I	55.4	Low	52.4	Low	121 Å²	121	115.5 Å²	115.5	62%	0.621	60%	0.598	S	S	*	*	H	α-helix	trans	-77.9	-37.1	177.4	-63.6	164.3	0	0	0	110.4	L351 E352 K357	L351-I355 HydrophobicContact CD2-CD1 3.73Å; L351-I355 HydrophobicContact CG-CD1 4.04Å; L351-I355 VanDerWaalsContact O-CG1 3.31Å; L351-I355 WeakPolarHBondContact O-CG1 3.1Å; L351-I355 PolarHBondContact O-N 3.48Å; E352-I355 PolarHBondContact O-N 3.15Å; I355-K357 PolarHBondContact O-N 3.31Å; I355-K357 VanDerWaalsContact O-N 3.11Å
356	S	53.6	Low	51.7	Low	58 Å²	58	123.3 Å²	123.3	41%	0.406	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	21.7	176.6	71.6	0	0	0	0	114	E352 V358	E352-S356 WeakPolarHBondContact O-CA 3.43Å; E352-S356 WeakPolarHBondContact O-CB 3.27Å; E352-S356 PolarHBondContact O-N 2.92Å; E352-S356 PolarHBondContact O-OG 3.26Å; S356-V358 PolarHBondContact O-N 2.89Å
357	K	49.7	Very low	51.2	Low	179 Å²	179	124.6 Å²	124.6	78%	0.778	63%	0.633	S	S	*	*			trans	-63.8	31.2	150.9	-70.3	-173.3	-178.8	178.1	0	112.3	I355 K359	I355-K357 PolarHBondContact O-N 3.31Å; I355-K357 VanDerWaalsContact O-N 3.11Å; K357-K359 VanDerWaalsContact C-N 3.27Å; K357-K359 PolarHBondContact O-N 2.8Å
358	V	45.2	Very low	50.6	Low	109 Å²	109	125.1 Å²	125.1	66%	0.661	63%	0.634	S	S	*	*			trans	-58.4	102.2	148.9	-179	0	0	0	0	104.9	S356 R360	S356-V358 PolarHBondContact O-N 2.89Å; V358-R360 VanDerWaalsContact C-N 3.27Å; V358-R360 PolarHBondContact O-N 3.49Å
359	K	43.8	Very low	49.9	Very low	199 Å²	199	130.8 Å²	130.8	87%	0.865	66%	0.664	S	S	*	*			trans	-57.8	94.3	176.8	-155.6	178.3	-171.7	-177.9	0	106.7	K357	K357-K359 VanDerWaalsContact C-N 3.27Å; K357-K359 PolarHBondContact O-N 2.8Å
360	R	47.3	Very low	49.7	Very low	211 Å²	211	136.5 Å²	136.5	80%	0.796	68%	0.68	S	S	*	*			trans	-57.4	123.2	175.8	-62.4	-175.7	-174.9	-171.4	1.2	105.7	V358 I362	V358-R360 VanDerWaalsContact C-N 3.27Å; V358-R360 PolarHBondContact O-N 3.49Å; R360-I362 PolarHBondContact O-N 3.39Å
361	P	43.5	Very low	48.6	Very low	106 Å²	106	138.5 Å²	138.5	69%	0.688	69%	0.69	S	S	*	*			trans	-58.5	133.6	178.8	23.8	-31.5	0	0	0	107.9	V363	P361-V363 VanDerWaalsContact C-N 3.34Å; P361-V363 PolarHBondContact O-N 2.95Å
362	I	60.7	Low	47.7	Very low	167 Å²	167	141.9 Å²	141.9	86%	0.856	70%	0.701	S	S	*	*			trans	-67.8	98.7	175.6	-64.6	156.5	0	0	0	105.9	R360 S364	R360-I362 PolarHBondContact O-N 3.39Å; I362-S364 PolarHBondContact O-N 2.89Å
363	V	49.1	Very low	47	Very low	110 Å²	110	141.4 Å²	141.4	67%	0.667	71%	0.711	S	S	*	*			trans	-81.2	92.8	173.8	-176.4	0	0	0	0	106.6	P361 E365	P361-V363 VanDerWaalsContact C-N 3.34Å; P361-V363 PolarHBondContact O-N 2.95Å; V363-E365 PolarHBondContact O-N 3.48Å
364	S	50	Low	46.1	Very low	76 Å²	76	145.9 Å²	145.9	53%	0.531	73%	0.728	S	S	.	*			trans	-71.9	123.9	165.9	57.7	0	0	0	0	108.7	I362 K366	I362-S364 PolarHBondContact O-N 2.89Å; S364-K366 PolarHBondContact O-N 3.31Å
365	E	53.9	Low	44.9	Very low	199 Å²	199	145.5 Å²	145.5	93%	0.93	73%	0.734	S	S	*	*	S	Bend	trans	-59.4	-11.4	-176.5	-65.8	-179.4	158	0	0	114.8	V363 R367	V363-E365 PolarHBondContact O-N 3.48Å; E365-R367 PolarHBondContact O-N 3.28Å
366	K	47.2	Very low	44	Very low	188 Å²	188	144.4 Å²	144.4	82%	0.817	74%	0.744	S	S	*	*	S	Bend	trans	-85.1	98.4	175.2	-68.7	-179	-179.8	177.9	0	109.5	S364	S364-K366 PolarHBondContact O-N 3.31Å
367	R	42.1	Very low	43.2	Very low	227 Å²	227	147.2 Å²	147.2	86%	0.857	76%	0.763	S	S	*	*			trans	38.1	89.4	160.7	-118.7	175.3	179.2	146.5	-1.8	113.1	E365 N369	E365-R367 PolarHBondContact O-N 3.28Å; R367-N369 PolarHBondContact O-N 2.81Å
368	T	41.4	Very low	42.5	Very low	85 Å²	85	143.5 Å²	143.5	52%	0.521	76%	0.76	S	S	.	*			trans	-62.7	99.2	171.7	50.5	0	0	0	0	109.4	F370	T368-F370 PolarHBondContact O-N 3.16Å
369	N	40.9	Very low	41.9	Very low	137 Å²	137	146.7 Å²	146.7	73%	0.733	77%	0.772	S	S	*	*			trans	-68.5	111.8	167.4	-71.9	-17.6	0	0	0	107.4	R367 L371	R367-N369 PolarHBondContact O-N 2.81Å; N369-L371 PolarHBondContact O-N 3.47Å
370	F	46.8	Very low	41.1	Very low	169 Å²	169	148.1 Å²	148.1	74%	0.741	77%	0.772	S	S	*	*			trans	-63.9	102.3	170.4	-65.2	-88.1	0	0	0	107.9	T368 F372	T368-F370 PolarHBondContact O-N 3.16Å; F370-F372 VanDerWaalsContact C-N 3.32Å; F370-F372 HydrophobicContact CB-CE2 4.24Å; F370-F372 PolarHBondContact O-N 2.94Å
371	L	33.9	Very low	40.4	Very low	167 Å²	167	143.3 Å²	143.3	87%	0.874	77%	0.768	S	S	*	*			trans	-73.5	94	167.3	-72.9	166.8	0	0	0	106.8	N369 S373	N369-L371 PolarHBondContact O-N 3.47Å; L371-S373 PolarHBondContact O-N 3.16Å
372	F	36.5	Very low	39.6	Very low	178 Å²	178	147 Å²	147	78%	0.781	78%	0.777	S	S	*	*			trans	-58.1	134.4	159	-68.8	-83.7	0	0	0	107.3	F370 E374	F370-F372 VanDerWaalsContact C-N 3.32Å; F370-F372 HydrophobicContact CB-CE2 4.24Å; F370-F372 PolarHBondContact O-N 2.94Å; F372-E374 PolarHBondContact O-N 3.42Å
373	S	36.3	Very low	38	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	78%	0.777	S	S	*	*			trans	-62.7	89	172.8	-173.5	0	0	0	0	108.3	L371 G375	L371-S373 PolarHBondContact O-N 3.16Å; S373-G375 PolarHBondContact O-N 3.44Å
374	E	34.5	Very low	37.1	Very low	202 Å²	202	152.9 Å²	152.9	94%	0.944	79%	0.787	S	S	*	*			trans	-66.2	78.5	161.3	-79.2	-167.5	161.7	0	0	107.2	F372	F372-E374 PolarHBondContact O-N 3.42Å
375	G	31.5	Very low	36	Very low	56 Å²	56	154.2 Å²	154.2	58%	0.577	80%	0.796	S	S	*	*			trans	-169.4	17.2	-168.8	0	0	0	0	0	114.3	S373	S373-G375 PolarHBondContact O-N 3.44Å
376	A	36.4	Very low	34.7	Very low	99 Å²	99	154.7 Å²	154.7	82%	0.818	80%	0.795	S	S	*	*	S	Bend	trans	-112.1	38.6	157.4	0	0	0	0	0	110.3
377	S	36.9	Very low	33.9	Very low	116 Å²	116	155.7 Å²	155.7	81%	0.811	80%	0.8	S	S	*	*	S	Bend	trans	171.8	86.1	156.4	39	0	0	0	0	110.5
378	S	34.4	Very low	33.1	Very low	101 Å²	101	150.1 Å²	150.1	71%	0.706	80%	0.795	S	S	*	*			trans	-142.7	79.9	149.2	-156.5	0	0	0	0	109.7	R380	S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.39Å
379	L	32.3	Very low	32.6	Very low	177 Å²	177	154.7 Å²	154.7	93%	0.927	82%	0.816	S	S	*	*	S	Bend	trans	-57.1	102	147.5	-80.4	160.8	0	0	0	107.2
380	R	27.9	Very low	32	Very low	228 Å²	228	152.8 Å²	152.8	86%	0.86	82%	0.819	S	S	*	*	S	Bend	trans	47.6	133.4	162.5	-92.9	179.4	178.7	-178.2	0.1	119.4	S378	S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.39Å
381	P	31.9	Very low	31.2	Very low	110 Å²	110	148.6 Å²	148.6	71%	0.714	82%	0.824	S	S	*	*			trans	-82.3	128	-172.1	34.1	-32.3	0	0	0	111.5
382	Q	27.6	Very low	31.5	Very low	185 Å²	185	147 Å²	147	86%	0.864	82%	0.821	S	S	*	*			trans	-111.4	111.6	160.4	-76.2	-67.3	-24.9	0	0	109.1	K384	Q382-K384 PolarHBondContact O-N 3.29Å
383	K	25.7	Very low	31.8	Very low	200 Å²	200	143.3 Å²	143.3	87%	0.87	82%	0.817	S	S	*	*			trans	-53.6	112.9	169.4	-77.3	173.1	171.3	174.8	0	109.8
384	K	30.2	Very low	32.3	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.865	82%	0.821	S	S	*	*			trans	-142.7	108.7	145.4	-73.1	-163.8	179.6	173.8	0	111.3	Q382	Q382-K384 PolarHBondContact O-N 3.29Å
385	S	27.5	Very low	33.5	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	80%	0.801	S	S	*	*			trans	3.8	122.5	150.2	57.2	0	0	0	0	119.4	K387	S385-K387 PolarHBondContact O-N 3.4Å
386	K	26.7	Very low	35	Very low	209 Å²	209	142.1 Å²	142.1	91%	0.909	79%	0.794	S	S	*	*				19.8	101.1	128.5	-65.5	179.5	177.5	178.4	0	115.8
387	K	29.8	Very low	36.4	Very low	209 Å²	209	144.8 Å²	144.8	91%	0.909	79%	0.791	S	S	*	*			trans	-133.7	132.6	138.2	-93.7	-177.7	-179.7	176.9	0	109.2	S385	S385-K387 PolarHBondContact O-N 3.4Å
388	S	26.8	Very low	37.6	Very low	110 Å²	110	146.2 Å²	146.2	77%	0.769	79%	0.785	S	S	*	*			trans	-62.1	139.4	-170	43.7	0	0	0	0	114.3	A390	S388-A390 PolarHBondContact O-N 2.81Å
389	L	29.2	Very low	39.4	Very low	180 Å²	180	144.6 Å²	144.6	94%	0.942	77%	0.771	S	S	*	*				3.8	104.4	129.7	-112.4	75.8	0	0	0	115
390	A	28.7	Very low	41.1	Very low	97 Å²	97	144.2 Å²	144.2	80%	0.802	76%	0.757	S	S	*	*			trans	-161.2	102.5	149.8	0	0	0	0	0	108.6	S388	S388-A390 PolarHBondContact O-N 2.81Å
391	G	30.9	Very low	42.5	Very low	82 Å²	82	137.5 Å²	137.5	85%	0.845	74%	0.738	S	S	*	*			trans	61.3	75	158.2	0	0	0	0	0	117.1
392	V	39	Very low	44.2	Very low	134 Å²	134	137 Å²	137	81%	0.812	73%	0.733	S	S	*	*			trans	-98.1	107.4	147.8	-177.9	0	0	0	0	105	E394	V392-E394 PolarHBondContact O-N 3.29Å; V392-E394 VanDerWaalsContact O-N 3.16Å
393	S	43	Very low	46.3	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-53.2	117.2	168.8	45.7	0	0	0	0	107.9	D395	S393-D395 PolarHBondContact O-N 3.27Å
394	E	46.7	Very low	48	Very low	184 Å²	184	128.6 Å²	128.6	86%	0.86	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-61.8	120.7	174.6	-63.8	-176.1	155.5	0	0	108.3	V392 S396	V392-E394 PolarHBondContact O-N 3.29Å; V392-E394 VanDerWaalsContact O-N 3.16Å; E394-S396 PolarHBondContact O-N 3.47Å
395	D	59.9	Low	49.1	Very low	99 Å²	99	125 Å²	125	53%	0.529	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-56.7	138.7	171.4	-62.4	-47.7	0	0	0	109.5	S393	S393-D395 PolarHBondContact O-N 3.27Å
396	S	63.7	Low	50.6	Low	61 Å²	61	127.7 Å²	127.7	43%	0.427	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-59.1	146.9	178.7	71.9	0	0	0	0	109.8	E394 E398 T399 R400	E394-S396 PolarHBondContact O-N 3.47Å; S396-E398 PolarHBondContact O-N 3.43Å; S396-T399 PolarHBondContact N-OG1 3.3Å; S396-T399 PolarHBondContact O-N 3.37Å; S396-T399 PolarHBondContact O-OG1 2.93Å; S396-T399 PolarHBondContact OG-OG1 3.04Å; S396-T399 VanDerWaalsContact OG-OG1 3.05Å; S396-R400 PolarHBondContact O-N 3.04Å
397	M	65.7	Low	51.6	Low	155 Å²	155	124.1 Å²	124.1	76%	0.764	67%	0.665	S	S	*	*	H	α-helix	trans	-50.9	-31	-178.5	-173.9	176.2	-66.2	0	0	112.9	L401	M397-L401 HydrophobicContact CG-CD1 4.43Å; M397-L401 WeakPolarHBondContact O-CG 3.11Å; M397-L401 PolarHBondContact O-N 3.48Å; M397-L401 VanDerWaalsContact O-N 3.11Å
398	E	62.1	Low	52.5	Low	145 Å²	145	117.5 Å²	117.5	68%	0.678	64%	0.641	S	S	*	*	H	α-helix	trans	-66.3	-42.4	175.9	-65.9	160.3	168.9	0	0	112.9	S396 R400 L401 V402	S396-E398 PolarHBondContact O-N 3.43Å; E398-R400 VanDerWaalsContact C-N 3.35Å; E398-L401 PolarHBondContact O-N 2.91Å; E398-V402 WeakPolarHBondContact O-CG2 3.39Å; E398-V402 PolarHBondContact O-N 3.23Å
399	T	71.3	Confident	53.2	Low	67 Å²	67	120.7 Å²	120.7	41%	0.411	64%	0.642	S	S	.	*	H	α-helix	trans	-67.3	-38.1	178.6	18.9	0	0	0	0	111.3	S396 L401 V402 E403	S396-T399 PolarHBondContact N-OG1 3.3Å; S396-T399 PolarHBondContact O-N 3.37Å; S396-T399 PolarHBondContact O-OG1 2.93Å; S396-T399 PolarHBondContact OG-OG1 3.04Å; S396-T399 VanDerWaalsContact OG-OG1 3.05Å; T399-L401 PolarHBondContact O-N 2.98Å; T399-V402 PolarHBondContact O-N 2.97Å; T399-E403 PolarHBondContact O-N 3.2Å
400	R	69.5	Low	54	Low	170 Å²	170	121 Å²	121	64%	0.642	64%	0.638	S	S	*	*	H	α-helix	trans	-61.7	-41.6	172.3	-107.4	-179.3	171.2	156.2	-0.6	113.5	S396 E398 E403 L404	S396-R400 PolarHBondContact O-N 3.04Å; E398-R400 VanDerWaalsContact C-N 3.35Å; R400-E403 PolarHBondContact O-N 3.41Å; R400-L404 PolarHBondContact O-N 2.77Å
401	L	56.4	Low	54.5	Low	86 Å²	86	123.7 Å²	123.7	45%	0.45	63%	0.632	S	S	.	*	H	α-helix	trans	-67.1	-40.8	177.6	-74.3	169.7	0	0	0	111	M397 E398 T399 E403 L404 F405	M397-L401 HydrophobicContact CG-CD1 4.43Å; M397-L401 WeakPolarHBondContact O-CG 3.11Å; M397-L401 PolarHBondContact O-N 3.48Å; M397-L401 VanDerWaalsContact O-N 3.11Å; E398-L401 PolarHBondContact O-N 2.91Å; T399-L401 PolarHBondContact O-N 2.98Å; L401-E403 VanDerWaalsContact C-N 3.32Å; L401-E403 PolarHBondContact O-N 3.14Å; L401-L404 PolarHBondContact O-N 2.81Å; L401-F405 WeakPolarHBondContact O-CB 3.45Å; L401-F405 WeakPolarHBondContact O-CD2 3.33Å; L401-F405 PolarHBondContact O-N 3.19Å
402	V	67.3	Low	54.8	Low	101 Å²	101	128.4 Å²	128.4	61%	0.612	63%	0.629	S	S	*	*	H	α-helix	trans	-62.3	-39.3	176.7	172.1	0	0	0	0	111.5	E398 T399 F405 R406	E398-V402 WeakPolarHBondContact O-CG2 3.39Å; E398-V402 PolarHBondContact O-N 3.23Å; T399-V402 PolarHBondContact O-N 2.97Å; V402-F405 PolarHBondContact O-N 3.01Å; V402-R406 WeakPolarHBondContact O-CB 3.27Å; V402-R406 PolarHBondContact O-N 2.91Å
403	E	71.4	Confident	55.3	Low	105 Å²	105	127.4 Å²	127.4	49%	0.491	62%	0.623	S	S	.	*	H	α-helix	trans	-69	-41.2	175.7	-77.6	179.5	156.7	0	0	113	T399 R400 L401 F405 R406 E407	T399-E403 PolarHBondContact O-N 3.2Å; R400-E403 PolarHBondContact O-N 3.41Å; L401-E403 VanDerWaalsContact C-N 3.32Å; L401-E403 PolarHBondContact O-N 3.14Å; E403-F405 VanDerWaalsContact C-N 3.34Å; E403-F405 PolarHBondContact O-N 3.41Å; E403-R406 WeakPolarHBondContact O-CB 3.37Å; E403-R406 PolarHBondContact O-N 3.42Å; E403-R406 VanDerWaalsContact O-N 3.1Å; E403-E407 PolarHBondContact O-N 2.83Å
404	L	62.4	Low	55.7	Low	102 Å²	102	128.6 Å²	128.6	53%	0.534	62%	0.622	S	S	.	*	H	α-helix	trans	-60	-43.3	172.4	-87.1	165.8	0	0	0	111.7	R400 L401 R406 E407 T408	R400-L404 PolarHBondContact O-N 2.77Å; L401-L404 PolarHBondContact O-N 2.81Å; L404-R406 VanDerWaalsContact C-N 3.27Å; L404-R406 PolarHBondContact O-N 3.27Å; L404-E407 PolarHBondContact O-N 2.79Å; L404-T408 WeakPolarHBondContact O-CG2 3.21Å; L404-T408 PolarHBondContact O-N 2.78Å; L404-T408 VanDerWaalsContact O-N 3.15Å; L404-T408 PolarHBondContact O-OG1 3.23Å
405	F	52.6	Low	56.1	Low	124 Å²	124	124.2 Å²	124.2	54%	0.544	60%	0.604	S	S	.	*	H	α-helix	trans	-67.2	-27.9	175.1	-81.3	-64.6	0	0	0	112.8	L401 V402 E403 T408 L419	L401-F405 WeakPolarHBondContact O-CB 3.45Å; L401-F405 WeakPolarHBondContact O-CD2 3.33Å; L401-F405 PolarHBondContact O-N 3.19Å; V402-F405 PolarHBondContact O-N 3.01Å; E403-F405 VanDerWaalsContact C-N 3.34Å; E403-F405 PolarHBondContact O-N 3.41Å; F405-T408 WeakPolarHBondContact CA-OG1 3.42Å; F405-T408 PolarHBondContact O-OG1 3.29Å; F405-L419 HydrophobicContact CE1-CD2 4.47Å
406	R	58.8	Low	55.9	Low	162 Å²	162	125.4 Å²	125.4	61%	0.611	61%	0.606	S	S	*	*	H	α-helix	trans	-70.6	-37.4	173.9	-166.6	-174.9	65.4	72.1	4.2	111.4	V402 E403 L404	V402-R406 WeakPolarHBondContact O-CB 3.27Å; V402-R406 PolarHBondContact O-N 2.91Å; E403-R406 WeakPolarHBondContact O-CB 3.37Å; E403-R406 PolarHBondContact O-N 3.42Å; E403-R406 VanDerWaalsContact O-N 3.1Å; L404-R406 VanDerWaalsContact C-N 3.27Å; L404-R406 PolarHBondContact O-N 3.27Å
407	E	48.5	Very low	55.6	Low	134 Å²	134	125.1 Å²	125.1	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-71	-28.6	175.8	-70.3	-176.2	170.4	0	0	112.9	E403 L404	E403-E407 PolarHBondContact O-N 2.83Å; L404-E407 PolarHBondContact O-N 2.79Å
408	T	47.8	Very low	55.3	Low	69 Å²	69	123.2 Å²	123.2	42%	0.423	60%	0.597	S	S	.	*	H	α-helix	trans	-80	-11.6	179.2	53.1	0	0	0	0	114.7	L404 F405 E410 K411	L404-T408 WeakPolarHBondContact O-CG2 3.21Å; L404-T408 PolarHBondContact O-N 2.78Å; L404-T408 VanDerWaalsContact O-N 3.15Å; L404-T408 PolarHBondContact O-OG1 3.23Å; F405-T408 WeakPolarHBondContact CA-OG1 3.42Å; F405-T408 PolarHBondContact O-OG1 3.29Å; T408-E410 PolarHBondContact O-N 3.08Å; T408-K411 PolarHBondContact O-N 2.93Å; T408-K411 VanDerWaalsContact O-N 3.12Å
409	K	43	Very low	55.4	Low	178 Å²	178	120.8 Å²	120.8	77%	0.774	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-7.6	178	-85.7	-171.2	175.3	-175.9	0	114.7
410	E	45.3	Very low	55	Low	185 Å²	185	120.1 Å²	120.1	86%	0.864	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	7	175.8	-65.7	-167.9	166.9	0	0	114.5	T408	T408-E410 PolarHBondContact O-N 3.08Å
411	K	38.9	Very low	54.9	Low	155 Å²	155	113 Å²	113	67%	0.674	56%	0.564	S	S	*	*	S	Bend	trans	-123.1	138.4	178.3	-68.2	-176.3	-179	174.6	0	113.3	T408	T408-K411 PolarHBondContact O-N 2.93Å; T408-K411 VanDerWaalsContact O-N 3.12Å
412	K	38.1	Very low	55.7	Low	180 Å²	180	113.8 Å²	113.8	78%	0.783	57%	0.565	S	S	*	*			trans	-60.9	155.6	-161.4	-72.1	176.5	172	-179.8	0	115	D414 D415	K412-D414 PolarHBondContact O-N 3.13Å; K412-D415 PolarHBondContact O-N 3.36Å; K412-D415 VanDerWaalsContact O-N 3.11Å
413	V	49.5	Very low	56.3	Low	114 Å²	114	112 Å²	112	69%	0.691	56%	0.558	S	S	*	*	H	α-helix	trans	-40.5	-29.4	-176.3	-177.6	0	0	0	0	116.8
414	D	50.9	Low	57	Low	125 Å²	125	107.4 Å²	107.4	67%	0.668	54%	0.536	S	S	*	.	H	α-helix	trans	-73.4	-31.2	-178.5	-65.3	-35.9	0	0	0	113.3	K412 Q418	K412-D414 PolarHBondContact O-N 3.13Å; D414-Q418 PolarHBondContact O-N 3.3Å
415	D	55.3	Low	58.1	Low	92 Å²	92	102.9 Å²	102.9	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-74.4	-29.5	-179.6	-70.8	-24	0	0	0	111.5	K412 Q418 L419	K412-D415 PolarHBondContact O-N 3.36Å; K412-D415 VanDerWaalsContact O-N 3.11Å; D415-Q418 PolarHBondContact O-N 2.88Å; D415-L419 VanDerWaalsContact O-CB 3.25Å; D415-L419 WeakPolarHBondContact O-CB 3.42Å; D415-L419 PolarHBondContact O-N 3Å
416	E	55.9	Low	59.7	Low	123 Å²	123	101.4 Å²	101.4	58%	0.575	51%	0.514	S	S	*	.	H	α-helix	trans	-65.6	-43.6	178.4	-69.5	-172.3	161.7	0	0	111.9	L419 A420	E416-L419 PolarHBondContact O-N 2.73Å; E416-A420 VanDerWaalsContact O-CB 3.28Å; E416-A420 WeakPolarHBondContact O-CB 3.4Å; E416-A420 PolarHBondContact O-N 2.75Å
417	A	57.8	Low	61.1	Low	55 Å²	55	97.2 Å²	97.2	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-65.7	-40.7	177.5	0	0	0	0	0	111.4	N421	A417-N421 VanDerWaalsContact O-CB 3.32Å; A417-N421 WeakPolarHBondContact O-CB 3.48Å; A417-N421 PolarHBondContact O-N 2.81Å; A417-N421 PolarHBondContact O-ND2 3.39Å
418	Q	58.8	Low	63	Low	116 Å²	116	90.9 Å²	90.9	54%	0.542	47%	0.474	S	S	.	.	H	α-helix	trans	-65.4	-42.8	174.6	-69.4	-170.4	7.2	0	0	112	D414 D415 N421 H422	D414-Q418 PolarHBondContact O-N 3.3Å; D415-Q418 PolarHBondContact O-N 2.88Å; Q418-N421 PolarHBondContact O-N 2.78Å; Q418-H422 VanDerWaalsContact O-CG 3.3Å; Q418-H422 PolarHBondContact O-N 3.11Å
419	L	63.7	Low	65	Low	94 Å²	94	89.4 Å²	89.4	49%	0.492	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-41	178.7	-169.6	66	0	0	0	112	F405 D415 E416 N421 H422 S423	F405-L419 HydrophobicContact CE1-CD2 4.47Å; D415-L419 VanDerWaalsContact O-CB 3.25Å; D415-L419 WeakPolarHBondContact O-CB 3.42Å; D415-L419 PolarHBondContact O-N 3Å; E416-L419 PolarHBondContact O-N 2.73Å; L419-N421 VanDerWaalsContact C-N 3.33Å; L419-N421 PolarHBondContact O-N 2.65Å; L419-H422 PolarHBondContact O-N 3.4Å; L419-S423 PolarHBondContact O-N 2.81Å
420	A	63.9	Low	67.1	Low	52 Å²	52	85.8 Å²	85.8	43%	0.43	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-36.5	174.4	0	0	0	0	0	112.2	E416 S423 L424	E416-A420 VanDerWaalsContact O-CB 3.28Å; E416-A420 WeakPolarHBondContact O-CB 3.4Å; E416-A420 PolarHBondContact O-N 2.75Å; A420-S423 WeakPolarHBondContact CA-OG 3.44Å; A420-S423 PolarHBondContact O-N 3.1Å; A420-S423 PolarHBondContact O-OG 2.99Å; A420-L424 PolarHBondContact O-N 2.8Å
421	N	65.8	Low	69.1	Low	22 Å²	22	77 Å²	77	12%	0.118	41%	0.41	C	S	.	.	H	α-helix	trans	-67.7	-40.3	173.1	-72.9	-29.7	0	0	0	111.3	A417 Q418 L419 L424 A425 P454 T455	A417-N421 VanDerWaalsContact O-CB 3.32Å; A417-N421 WeakPolarHBondContact O-CB 3.48Å; A417-N421 PolarHBondContact O-N 2.81Å; A417-N421 PolarHBondContact O-ND2 3.39Å; Q418-N421 PolarHBondContact O-N 2.78Å; L419-N421 VanDerWaalsContact C-N 3.33Å; L419-N421 PolarHBondContact O-N 2.65Å; N421-L424 PolarHBondContact O-N 3.1Å; N421-A425 PolarHBondContact O-N 2.92Å; N421-P454 HydrophobicContact CB-CB 4.47Å; N421-P454 HydrophobicContact CB-CG 4.39Å; N421-P454 WeakPolarHBondContact ND2-CG 3.4Å; N421-T455 HydrophobicContact CB-CG2 4Å; N421-T455 WeakPolarHBondContact O-CG2 3.4Å
422	H	73.5	Confident	71.5	Confident	101 Å²	101	70.2 Å²	70.2	47%	0.468	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-41.4	172.9	-71.2	-12.6	0	0	0	112	Q418 L419 L424 A425 V426	Q418-H422 VanDerWaalsContact O-CG 3.3Å; Q418-H422 PolarHBondContact O-N 3.11Å; L419-H422 PolarHBondContact O-N 3.4Å; H422-L424 VanDerWaalsContact C-N 3.3Å; H422-L424 PolarHBondContact O-N 2.88Å; H422-A425 PolarHBondContact O-N 2.62Å; H422-V426 WeakPolarHBondContact O-CG2 3.29Å; H422-V426 PolarHBondContact O-N 3.32Å
423	S	81.1	Confident	73.9	Confident	65 Å²	65	68.8 Å²	68.8	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-38.1	175.6	65	0	0	0	0	112	L419 A420 V426 L427	L419-S423 PolarHBondContact O-N 2.81Å; A420-S423 WeakPolarHBondContact CA-OG 3.44Å; A420-S423 PolarHBondContact O-N 3.1Å; A420-S423 PolarHBondContact O-OG 2.99Å; S423-V426 PolarHBondContact O-N 2.72Å; S423-L427 WeakPolarHBondContact O-CG 3.46Å; S423-L427 PolarHBondContact O-N 2.8Å
424	L	85.5	Confident	75.8	Confident	8 Å²	8	66.7 Å²	66.7	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-68.7	-38.1	176.6	-174.4	72.8	0	0	0	112	A420 N421 H422 L427 L428 V443 K446 T455	A420-L424 PolarHBondContact O-N 2.8Å; N421-L424 PolarHBondContact O-N 3.1Å; H422-L424 VanDerWaalsContact C-N 3.3Å; H422-L424 PolarHBondContact O-N 2.88Å; L424-L427 PolarHBondContact O-N 2.66Å; L424-L428 WeakPolarHBondContact O-CB 2.99Å; L424-L428 PolarHBondContact O-N 3.16Å; L424-V443 HydrophobicContact CD1-CB 4.18Å; L424-V443 HydrophobicContact CD1-CG1 3.72Å; L424-V443 HydrophobicContact CD1-CG2 3.75Å; L424-V443 HydrophobicContact CG-CG1 4.02Å; L424-K446 HydrophobicContact CD1-CD 4.25Å; L424-K446 HydrophobicContact CD2-CD 3.8Å; L424-T455 HydrophobicContact CB-CG2 3.88Å; L424-T455 HydrophobicContact CD2-CG2 3.66Å; L424-T455 HydrophobicContact CG-CG2 4.06Å
425	A	85.4	Confident	77.3	Confident	6 Å²	6	70.9 Å²	70.9	5%	0.05	37%	0.373	C	S	.	.	H	α-helix	trans	-64.4	-39.7	173.5	0	0	0	0	0	111.9	N421 H422 L428 V429 A458	N421-A425 PolarHBondContact O-N 2.92Å; H422-A425 PolarHBondContact O-N 2.62Å; A425-L428 WeakPolarHBondContact O-CB 3.42Å; A425-L428 PolarHBondContact O-N 3.33Å; A425-V429 WeakPolarHBondContact O-CG2 3.38Å; A425-V429 PolarHBondContact O-N 2.98Å; A425-A458 HydrophobicContact CB-CB 3.91Å
426	V	86.9	Confident	78.7	Confident	93 Å²	93	69.1 Å²	69.1	56%	0.564	36%	0.364	S	S	*	.	H	α-helix	trans	-65.1	-44	174.7	173.3	0	0	0	0	111.2	H422 S423 L428 V429 Q430	H422-V426 WeakPolarHBondContact O-CG2 3.29Å; H422-V426 PolarHBondContact O-N 3.32Å; S423-V426 PolarHBondContact O-N 2.72Å; V426-L428 VanDerWaalsContact C-N 3.29Å; V426-L428 PolarHBondContact O-N 3.44Å; V426-V429 PolarHBondContact O-N 2.87Å; V426-Q430 VanDerWaalsContact O-CB 3.31Å; V426-Q430 WeakPolarHBondContact O-CB 3.39Å; V426-Q430 PolarHBondContact O-N 2.9Å
427	L	87.1	Confident	80	Confident	74 Å²	74	69.3 Å²	69.3	39%	0.387	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-37.2	174.6	-74.5	175.5	0	0	0	112.2	S423 L424 G431 I439 V443	S423-L427 WeakPolarHBondContact O-CG 3.46Å; S423-L427 PolarHBondContact O-N 2.8Å; L424-L427 PolarHBondContact O-N 2.66Å; L427-G431 PolarHBondContact O-N 2.75Å; L427-I439 HydrophobicContact CB-CG2 4.42Å; L427-I439 WeakPolarHBondContact O-CG2 3.39Å; L427-V443 HydrophobicContact CB-CG2 4.16Å
428	L	88.3	Confident	81.2	Confident	1 Å²	1	74 Å²	74	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-48	175	-174.8	62.5	0	0	0	111.1	L424 A425 V426 Q430 G431 L432 L440 V443 L444 V459 L467 W487	L424-L428 WeakPolarHBondContact O-CB 2.99Å; L424-L428 PolarHBondContact O-N 3.16Å; A425-L428 WeakPolarHBondContact O-CB 3.42Å; A425-L428 PolarHBondContact O-N 3.33Å; V426-L428 VanDerWaalsContact C-N 3.29Å; V426-L428 PolarHBondContact O-N 3.44Å; L428-Q430 PolarHBondContact O-N 2.76Å; L428-G431 PolarHBondContact O-N 2.75Å; L428-L432 HydrophobicContact CG-CD1 4.26Å; L428-L432 WeakPolarHBondContact O-CB 3.28Å; L428-L432 VanDerWaalsContact O-CG 3.25Å; L428-L432 WeakPolarHBondContact O-CG 3.29Å; L428-L432 PolarHBondContact O-N 3.47Å; L428-L440 HydrophobicContact CD1-CD2 3.89Å; L428-V443 HydrophobicContact CB-CG1 4.24Å; L428-V443 HydrophobicContact CD1-CG1 4Å; L428-L444 HydrophobicContact CD1-CD2 4.28Å; L428-V459 HydrophobicContact CD2-CG2 3.79Å; L428-L467 HydrophobicContact CD1-CD1 4.03Å; L428-L467 HydrophobicContact CD2-CD1 4.42Å; L428-L467 HydrophobicContact CD2-CD2 4.23Å; L428-W487 HydrophobicContact CD2-CH2 4.39Å; L428-W487 HydrophobicContact CD2-CZ3 3.94Å
429	V	89.8	Confident	82.5	Confident	38 Å²	38	70.3 Å²	70.3	23%	0.23	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-43.5	177.4	171.6	0	0	0	0	110.9	A425 V426 L432 H433 P460 Q463	A425-V429 WeakPolarHBondContact O-CG2 3.38Å; A425-V429 PolarHBondContact O-N 2.98Å; V426-V429 PolarHBondContact O-N 2.87Å; V429-L432 PolarHBondContact O-N 3.43Å; V429-H433 WeakPolarHBondContact O-CB 3.39Å; V429-H433 PolarHBondContact O-N 2.79Å; V429-P460 HydrophobicContact CG2-CG 4.38Å; V429-Q463 HydrophobicContact CG1-CG 4.29Å; V429-Q463 HydrophobicContact CG2-CG 4.37Å
430	Q	87	Confident	83.6	Confident	103 Å²	103	65.9 Å²	65.9	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-48.1	175.5	-179.6	-179.5	-22.2	0	0	111	V426 L428 L432 H433 S434	V426-Q430 VanDerWaalsContact O-CB 3.31Å; V426-Q430 WeakPolarHBondContact O-CB 3.39Å; V426-Q430 PolarHBondContact O-N 2.9Å; L428-Q430 PolarHBondContact O-N 2.76Å; Q430-L432 VanDerWaalsContact C-N 3.31Å; Q430-L432 PolarHBondContact O-N 2.81Å; Q430-H433 PolarHBondContact O-N 3.17Å; Q430-S434 WeakPolarHBondContact O-CB 3.05Å; Q430-S434 PolarHBondContact O-N 2.84Å; Q430-S434 PolarHBondContact O-OG 3.47Å
431	G	87.7	Confident	84.6	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-36.6	178.4	0	0	0	0	0	112.9	L427 L428 S434 R435 D436	L427-G431 PolarHBondContact O-N 2.75Å; L428-G431 PolarHBondContact O-N 2.75Å; G431-S434 PolarHBondContact O-OG 2.91Å; G431-R435 CarbonylContact O-C 3.6Å; G431-R435 VanDerWaalsContact O-CA 3.23Å; G431-R435 WeakPolarHBondContact O-CA 2.91Å; G431-R435 PolarHBondContact O-N 2.76Å; G431-D436 PolarHBondContact O-N 2.77Å; G431-D436 VanDerWaalsContact O-N 3.1Å
432	L	89.9	Confident	85.5	Confident	13 Å²	13	67 Å²	67	7%	0.068	34%	0.344	C	S	.	.	H	α-helix	trans	-68.8	-40.6	173.9	-70.5	171.2	0	0	0	111.7	L428 V429 Q430 R435 L440 Q463 P466 L467 H470	L428-L432 HydrophobicContact CG-CD1 4.26Å; L428-L432 WeakPolarHBondContact O-CB 3.28Å; L428-L432 VanDerWaalsContact O-CG 3.25Å; L428-L432 WeakPolarHBondContact O-CG 3.29Å; L428-L432 PolarHBondContact O-N 3.47Å; V429-L432 PolarHBondContact O-N 3.43Å; Q430-L432 VanDerWaalsContact C-N 3.31Å; Q430-L432 PolarHBondContact O-N 2.81Å; L432-R435 PolarHBondContact O-N 2.85Å; L432-L440 HydrophobicContact CD2-CD1 4.33Å; L432-L440 HydrophobicContact CD2-CD2 3.91Å; L432-L440 HydrophobicContact CG-CD2 3.97Å; L432-Q463 HydrophobicContact CD1-CB 4.12Å; L432-P466 HydrophobicContact CD2-CB 4.45Å; L432-L467 HydrophobicContact CD1-CB 3.92Å; L432-L467 HydrophobicContact CD1-CD1 4.32Å; L432-L467 HydrophobicContact CD2-CB 4.35Å; L432-L467 HydrophobicContact CD2-CD1 4.29Å; L432-H470 HydrophobicContact CD2-CB 4.42Å
433	H	88.8	Confident	86.3	Confident	150 Å²	150	62.5 Å²	62.5	69%	0.694	32%	0.324	S	S	*	.	H	α-helix	trans	-71	-41.1	-179.7	-143.3	78.5	0	0	0	112.6	V429 Q430 R435	V429-H433 WeakPolarHBondContact O-CB 3.39Å; V429-H433 PolarHBondContact O-N 2.79Å; Q430-H433 PolarHBondContact O-N 3.17Å; H433-R435 VanDerWaalsContact C-N 3.3Å
434	S	88	Confident	86.6	Confident	69 Å²	69	59.4 Å²	59.4	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-79.5	-13	175.5	64.7	0	0	0	0	113.2	Q430 G431 D436	Q430-S434 WeakPolarHBondContact O-CB 3.05Å; Q430-S434 PolarHBondContact O-N 2.84Å; Q430-S434 PolarHBondContact O-OG 3.47Å; G431-S434 PolarHBondContact O-OG 2.91Å; S434-D436 PolarHBondContact O-N 2.9Å; S434-D436 WeakPolarHBondContact OG-CB 3.39Å; S434-D436 PolarHBondContact OG-N 3.42Å
435	R	82.5	Confident	86.7	Confident	213 Å²	213	63.2 Å²	63.2	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	31.1	-168.8	-59.1	179.6	175.3	-178.2	-2.9	112.4	G431 L432 H433 K437	G431-R435 CarbonylContact O-C 3.6Å; G431-R435 VanDerWaalsContact O-CA 3.23Å; G431-R435 WeakPolarHBondContact O-CA 2.91Å; G431-R435 PolarHBondContact O-N 2.76Å; L432-R435 PolarHBondContact O-N 2.85Å; H433-R435 VanDerWaalsContact C-N 3.3Å; R435-K437 PolarHBondContact O-N 2.74Å
436	D	86.2	Confident	86.7	Confident	56 Å²	56	67.1 Å²	67.1	30%	0.299	34%	0.336	S	S	.	.			trans	-74	116.6	-178.7	-172.6	-14.7	0	0	0	110.5	G431 S434 E438 I439 L440	G431-D436 PolarHBondContact O-N 2.77Å; G431-D436 VanDerWaalsContact O-N 3.1Å; S434-D436 PolarHBondContact O-N 2.9Å; S434-D436 WeakPolarHBondContact OG-CB 3.39Å; S434-D436 PolarHBondContact OG-N 3.42Å; D436-E438 VanDerWaalsContact C-N 3.33Å; D436-E438 PolarHBondContact O-N 3.37Å; D436-E438 PolarHBondContact OD1-N 3.2Å; D436-I439 HydrophobicContact CB-CB 4.34Å; D436-I439 HydrophobicContact CB-CD1 4.09Å; D436-I439 HydrophobicContact CB-CG1 4.28Å; D436-I439 VanDerWaalsContact OD2-CD1 3.27Å; D436-I439 WeakPolarHBondContact OD2-CD1 3.33Å; D436-I439 WeakPolarHBondContact OD2-CG1 3.44Å; D436-L440 WeakPolarHBondContact O-CB 3.5Å; D436-L440 WeakPolarHBondContact O-CG 3.5Å; D436-L440 PolarHBondContact O-N 2.99Å
437	K	81.9	Confident	86.7	Confident	126 Å²	126	67.1 Å²	67.1	55%	0.548	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-34.5	-177.7	-67.7	178.6	-175.8	172.4	0	111.5	R435 T441	R435-K437 PolarHBondContact O-N 2.74Å; K437-T441 VanDerWaalsContact O-CB 3.31Å; K437-T441 WeakPolarHBondContact O-CB 3.4Å; K437-T441 WeakPolarHBondContact O-CG2 3.37Å; K437-T441 PolarHBondContact O-N 2.95Å; K437-T441 PolarHBondContact O-OG1 3.25Å
438	E	82.4	Confident	86.6	Confident	153 Å²	153	67.1 Å²	67.1	72%	0.715	34%	0.336	S	S	*	.	H	α-helix	trans	-70.8	-50.9	-174.8	-64.5	-174.9	177.5	0	0	110.1	D436 L440 T441 A442	D436-E438 VanDerWaalsContact C-N 3.33Å; D436-E438 PolarHBondContact O-N 3.37Å; D436-E438 PolarHBondContact OD1-N 3.2Å; E438-L440 PolarHBondContact O-N 3.17Å; E438-T441 PolarHBondContact O-N 3.37Å; E438-T441 PolarHBondContact O-OG1 2.92Å; E438-A442 WeakPolarHBondContact O-CB 3.29Å; E438-A442 PolarHBondContact O-N 3.4Å
439	I	86.6	Confident	86.5	Confident	39 Å²	39	69.9 Å²	69.9	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-49.3	176.3	-61.1	174.4	0	0	0	110.6	L427 D436 T441 A442 V443	L427-I439 HydrophobicContact CB-CG2 4.42Å; L427-I439 WeakPolarHBondContact O-CG2 3.39Å; D436-I439 HydrophobicContact CB-CB 4.34Å; D436-I439 HydrophobicContact CB-CD1 4.09Å; D436-I439 HydrophobicContact CB-CG1 4.28Å; D436-I439 VanDerWaalsContact OD2-CD1 3.27Å; D436-I439 WeakPolarHBondContact OD2-CD1 3.33Å; D436-I439 WeakPolarHBondContact OD2-CG1 3.44Å; I439-T441 VanDerWaalsContact C-N 3.32Å; I439-T441 PolarHBondContact O-N 3.32Å; I439-A442 PolarHBondContact O-N 3.34Å; I439-V443 HydrophobicContact CG2-CG2 4.39Å; I439-V443 WeakPolarHBondContact O-CG2 3.42Å; I439-V443 PolarHBondContact O-N 3.34Å
440	L	87.1	Confident	86.1	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-39	179.7	-70.4	174.9	0	0	0	112	L428 L432 D436 E438 L444	L428-L440 HydrophobicContact CD1-CD2 3.89Å; L432-L440 HydrophobicContact CD2-CD1 4.33Å; L432-L440 HydrophobicContact CD2-CD2 3.91Å; L432-L440 HydrophobicContact CG-CD2 3.97Å; D436-L440 WeakPolarHBondContact O-CB 3.5Å; D436-L440 WeakPolarHBondContact O-CG 3.5Å; D436-L440 PolarHBondContact O-N 2.99Å; E438-L440 PolarHBondContact O-N 3.17Å; L440-L444 WeakPolarHBondContact O-CB 3.44Å; L440-L444 VanDerWaalsContact O-CG 3.24Å; L440-L444 WeakPolarHBondContact O-CG 3.14Å; L440-L444 PolarHBondContact O-N 3.04Å
441	T	85.1	Confident	85.9	Confident	35 Å²	35	71.2 Å²	71.2	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-36.3	175.2	57.2	0	0	0	0	112.4	K437 E438 I439 Q445	K437-T441 VanDerWaalsContact O-CB 3.31Å; K437-T441 WeakPolarHBondContact O-CB 3.4Å; K437-T441 WeakPolarHBondContact O-CG2 3.37Å; K437-T441 PolarHBondContact O-N 2.95Å; K437-T441 PolarHBondContact O-OG1 3.25Å; E438-T441 PolarHBondContact O-N 3.37Å; E438-T441 PolarHBondContact O-OG1 2.92Å; I439-T441 VanDerWaalsContact C-N 3.32Å; I439-T441 PolarHBondContact O-N 3.32Å; T441-Q445 WeakPolarHBondContact O-CB 3.48Å; T441-Q445 VanDerWaalsContact O-CD 3.26Å; T441-Q445 WeakPolarHBondContact O-CG 3.42Å; T441-Q445 PolarHBondContact O-N 3.33Å; T441-Q445 VanDerWaalsContact O-N 3.13Å; T441-Q445 PolarHBondContact O-NE2 2.82Å
442	A	85.3	Confident	86	Confident	62 Å²	62	71.2 Å²	71.2	51%	0.512	36%	0.355	S	S	.	.	H	α-helix	trans	-67	-42.8	177.5	0	0	0	0	0	111.7	E438 I439	E438-A442 WeakPolarHBondContact O-CB 3.29Å; E438-A442 PolarHBondContact O-N 3.4Å; I439-A442 PolarHBondContact O-N 3.34Å
443	V	88.8	Confident	85.8	Confident	6 Å²	6	73.9 Å²	73.9	4%	0.036	37%	0.366	C	S	.	.	H	α-helix	trans	-71	-49.1	179	174.7	0	0	0	0	111.6	L424 L427 L428 I439 Q445 K446 W487	L424-V443 HydrophobicContact CD1-CB 4.18Å; L424-V443 HydrophobicContact CD1-CG1 3.72Å; L424-V443 HydrophobicContact CD1-CG2 3.75Å; L424-V443 HydrophobicContact CG-CG1 4.02Å; L427-V443 HydrophobicContact CB-CG2 4.16Å; L428-V443 HydrophobicContact CB-CG1 4.24Å; L428-V443 HydrophobicContact CD1-CG1 4Å; I439-V443 HydrophobicContact CG2-CG2 4.39Å; I439-V443 WeakPolarHBondContact O-CG2 3.42Å; I439-V443 PolarHBondContact O-N 3.34Å; V443-Q445 PolarHBondContact O-N 3.39Å; V443-K446 PolarHBondContact O-N 2.86Å; V443-W487 HydrophobicContact CG1-CH2 4.1Å; V443-W487 HydrophobicContact CG1-CZ2 4.08Å
444	L	88.2	Confident	85.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-76	-6.6	-176.3	-62.2	173.5	0	0	0	113.7	L428 L440 K446 L467 S483 Y484 W487	L428-L444 HydrophobicContact CD1-CD2 4.28Å; L440-L444 WeakPolarHBondContact O-CB 3.44Å; L440-L444 VanDerWaalsContact O-CG 3.24Å; L440-L444 WeakPolarHBondContact O-CG 3.14Å; L440-L444 PolarHBondContact O-N 3.04Å; L444-K446 VanDerWaalsContact C-N 3.35Å; L444-L467 HydrophobicContact CD2-CD1 4.25Å; L444-S483 WeakPolarHBondContact O-CB 3.41Å; L444-S483 PolarHBondContact O-OG 3Å; L444-Y484 HydrophobicContact CB-CD1 4.37Å; L444-Y484 HydrophobicContact CB-CE1 3.92Å; L444-Y484 HydrophobicContact CD1-CD1 4.38Å; L444-Y484 HydrophobicContact CD1-CE1 3.91Å; L444-W487 HydrophobicContact CD2-CB 4.31Å; L444-W487 HydrophobicContact CD2-CD2 3.55Å; L444-W487 HydrophobicContact CD2-CE3 3.88Å; L444-W487 HydrophobicContact CD2-CG 3.74Å; L444-W487 HydrophobicContact CD2-CZ2 4.4Å; L444-W487 HydrophobicContact CD2-CZ3 4.44Å
445	Q	87.1	Confident	85.7	Confident	88 Å²	88	65.5 Å²	65.5	41%	0.411	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.9	171.1	-86.7	173.5	31.7	0	0	113.4	T441 V443 T447	T441-Q445 WeakPolarHBondContact O-CB 3.48Å; T441-Q445 VanDerWaalsContact O-CD 3.26Å; T441-Q445 WeakPolarHBondContact O-CG 3.42Å; T441-Q445 PolarHBondContact O-N 3.33Å; T441-Q445 VanDerWaalsContact O-N 3.13Å; T441-Q445 PolarHBondContact O-NE2 2.82Å; V443-Q445 PolarHBondContact O-N 3.39Å; Q445-T447 PolarHBondContact O-N 3.13Å
446	K	86.8	Confident	86	Confident	89 Å²	89	55.4 Å²	55.4	39%	0.387	29%	0.285	S	S	.	.			trans	-60.6	130.4	175	-67.8	-167.6	175.6	-170.9	0	109.9	L424 V443 L444 I452 W487	L424-K446 HydrophobicContact CD1-CD 4.25Å; L424-K446 HydrophobicContact CD2-CD 3.8Å; V443-K446 PolarHBondContact O-N 2.86Å; L444-K446 VanDerWaalsContact C-N 3.35Å; K446-I452 WeakPolarHBondContact O-CD1 3.4Å; K446-W487 PolarHBondContact O-NE1 3.44Å
447	T	86.5	Confident	86	Confident	93 Å²	93	61.5 Å²	61.5	57%	0.571	30%	0.304	S	S	*	.			trans	-104.2	-9.3	179.2	51	0	0	0	0	113	Q445 E449	Q445-T447 PolarHBondContact O-N 3.13Å; T447-E449 PolarHBondContact O-N 3.36Å
448	D	85.3	Confident	86.1	Confident	74 Å²	74	57.3 Å²	57.3	40%	0.396	29%	0.293	S	S	.	.			trans	-72.2	112.9	-178.3	169.5	38	0	0	0	111.5	Q450 T451 I452	D448-Q450 PolarHBondContact O-N 3.46Å; D448-Q450 WeakPolarHBondContact OD1-CB 3.14Å; D448-Q450 PolarHBondContact OD1-N 2.87Å; D448-T451 PolarHBondContact O-N 3.31Å; D448-T451 PolarHBondContact O-OG1 2.67Å; D448-T451 VanDerWaalsContact O-OG1 3.12Å; D448-T451 WeakPolarHBondContact OD2-CB 3.38Å; D448-T451 WeakPolarHBondContact OD2-CG2 3.43Å; D448-T451 PolarHBondContact OD2-N 3.34Å; D448-T451 PolarHBondContact OD2-OG1 2.99Å; D448-I452 WeakPolarHBondContact O-CD1 3.33Å; D448-I452 WeakPolarHBondContact O-CG1 3.37Å; D448-I452 PolarHBondContact O-N 2.65Å
449	E	85	Confident	86.4	Confident	58 Å²	58	50.4 Å²	50.4	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-26.9	-179.5	178.3	160	168.2	0	0	112.4	T447 K453 K489 H490	T447-E449 PolarHBondContact O-N 3.36Å; E449-K453 HydrophobicContact CG-CD 4.08Å; E449-K453 VanDerWaalsContact CG-CE 3.49Å; E449-K453 HydrophobicContact CG-CG 4.33Å; E449-K453 WeakPolarHBondContact O-CG 3.37Å; E449-K453 PolarHBondContact O-N 3.01Å; E449-K453 VanDerWaalsContact O-N 3.16Å; E449-K453 WeakPolarHBondContact OE1-CE 3.27Å; E449-K453 IonicContact OE1-NZ 3.29Å; E449-K453 PolarHBondContact OE1-NZ 2.98Å; E449-K489 IonicContact OE1-NZ 3.24Å; E449-K489 IonicContact OE2-NZ 3.99Å; E449-H490 VanDerWaalsContact CD-CE1 3.43Å; E449-H490 VanDerWaalsContact CD-NE2 3.3Å; E449-H490 WeakPolarHBondContact CG-NE2 2.99Å; E449-H490 IonicContact OE1-CE1 3.39Å; E449-H490 PolarHBondContact OE1-CE1 2.99Å; E449-H490 IonicContact OE1-NE2 2.77Å; E449-H490 PolarHBondContact OE1-NE2 2.99Å; E449-H490 IonicContact OE2-NE2 3.02Å
450	Q	81.9	Confident	86.4	Confident	137 Å²	137	51.8 Å²	51.8	64%	0.64	27%	0.273	S	S	*	.	H	α-helix	trans	-73.3	-31.4	-179	-59.9	-60.2	-20.7	0	0	112.7	D448 P454	D448-Q450 PolarHBondContact O-N 3.46Å; D448-Q450 WeakPolarHBondContact OD1-CB 3.14Å; D448-Q450 PolarHBondContact OD1-N 2.87Å; Q450-P454 WeakPolarHBondContact O-CD 3.09Å; Q450-P454 WeakPolarHBondContact O-CG 3.47Å
451	T	83.8	Confident	86.1	Confident	33 Å²	33	54.9 Å²	54.9	20%	0.202	30%	0.295	C	S	.	.	H	α-helix	trans	-84.4	-31.6	172.1	48.3	0	0	0	0	112.9	D448 P454 T455	D448-T451 PolarHBondContact O-N 3.31Å; D448-T451 PolarHBondContact O-OG1 2.67Å; D448-T451 VanDerWaalsContact O-OG1 3.12Å; D448-T451 WeakPolarHBondContact OD2-CB 3.38Å; D448-T451 WeakPolarHBondContact OD2-CG2 3.43Å; D448-T451 PolarHBondContact OD2-N 3.34Å; D448-T451 PolarHBondContact OD2-OG1 2.99Å; T451-P454 WeakPolarHBondContact O-CD 3.37Å; T451-P454 WeakPolarHBondContact O-CG 3.42Å; T451-T455 WeakPolarHBondContact O-CB 3.48Å; T451-T455 WeakPolarHBondContact O-CG2 3.44Å; T451-T455 PolarHBondContact O-N 3Å; T451-T455 PolarHBondContact O-OG1 2.66Å
452	I	88.7	Confident	86.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.9	-45.5	-179.4	-64.6	165	0	0	0	111.9	K446 D448 T455 V456 W487 H490	K446-I452 WeakPolarHBondContact O-CD1 3.4Å; D448-I452 WeakPolarHBondContact O-CD1 3.33Å; D448-I452 WeakPolarHBondContact O-CG1 3.37Å; D448-I452 PolarHBondContact O-N 2.65Å; I452-T455 VanDerWaalsContact CA-OG1 3.31Å; I452-T455 WeakPolarHBondContact CA-OG1 3.39Å; I452-T455 PolarHBondContact O-N 3.47Å; I452-T455 PolarHBondContact O-OG1 2.94Å; I452-V456 HydrophobicContact CG2-CG2 3.91Å; I452-V456 WeakPolarHBondContact O-CB 3.31Å; I452-V456 VanDerWaalsContact O-CG2 3.29Å; I452-V456 WeakPolarHBondContact O-CG2 3.28Å; I452-V456 PolarHBondContact O-N 3.16Å; I452-W487 HydrophobicContact CG1-CD2 4.34Å; I452-W487 HydrophobicContact CG1-CH2 4.42Å; I452-W487 HydrophobicContact CG1-CZ2 3.78Å; I452-W487 HydrophobicContact CG2-CD2 3.89Å; I452-W487 HydrophobicContact CG2-CE3 3.93Å; I452-W487 HydrophobicContact CG2-CG 4.41Å; I452-W487 HydrophobicContact CG2-CH2 4.42Å; I452-W487 HydrophobicContact CG2-CZ2 4.4Å; I452-W487 HydrophobicContact CG2-CZ3 4.19Å; I452-H490 HydrophobicContact CG2-CB 3.91Å
453	K	86.9	Confident	86.2	Confident	69 Å²	69	54.9 Å²	54.9	30%	0.3	29%	0.293	S	S	.	.	H	α-helix	trans	-53.5	-54.1	179.9	-78.7	173.4	179.3	162.3	0	113.9	E449 R457 H490	E449-K453 HydrophobicContact CG-CD 4.08Å; E449-K453 VanDerWaalsContact CG-CE 3.49Å; E449-K453 HydrophobicContact CG-CG 4.33Å; E449-K453 WeakPolarHBondContact O-CG 3.37Å; E449-K453 PolarHBondContact O-N 3.01Å; E449-K453 VanDerWaalsContact O-N 3.16Å; E449-K453 WeakPolarHBondContact OE1-CE 3.27Å; E449-K453 IonicContact OE1-NZ 3.29Å; E449-K453 PolarHBondContact OE1-NZ 2.98Å; K453-R457 WeakPolarHBondContact O-CG 3.21Å; K453-R457 PolarHBondContact O-N 3.19Å; K453-H490 VanDerWaalsContact CE-CE1 3.46Å; K453-H490 WeakPolarHBondContact CE-CE1 3.39Å
454	P	85.5	Confident	86.2	Confident	42 Å²	42	54.7 Å²	54.7	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-69.6	-34.7	179.7	26.4	-34	0	0	0	112.3	N421 Q450 T451 R457 A458	N421-P454 HydrophobicContact CB-CB 4.47Å; N421-P454 HydrophobicContact CB-CG 4.39Å; N421-P454 WeakPolarHBondContact ND2-CG 3.4Å; Q450-P454 WeakPolarHBondContact O-CD 3.09Å; Q450-P454 WeakPolarHBondContact O-CG 3.47Å; T451-P454 WeakPolarHBondContact O-CD 3.37Å; T451-P454 WeakPolarHBondContact O-CG 3.42Å; P454-R457 PolarHBondContact O-N 3.35Å; P454-A458 PolarHBondContact O-N 2.92Å
455	T	87.5	Confident	86.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-44.2	178.3	50.8	0	0	0	0	112.5	N421 L424 T451 I452 R457 A458 V459	N421-T455 HydrophobicContact CB-CG2 4Å; N421-T455 WeakPolarHBondContact O-CG2 3.4Å; L424-T455 HydrophobicContact CB-CG2 3.88Å; L424-T455 HydrophobicContact CD2-CG2 3.66Å; L424-T455 HydrophobicContact CG-CG2 4.06Å; T451-T455 WeakPolarHBondContact O-CB 3.48Å; T451-T455 WeakPolarHBondContact O-CG2 3.44Å; T451-T455 PolarHBondContact O-N 3Å; T451-T455 PolarHBondContact O-OG1 2.66Å; I452-T455 VanDerWaalsContact CA-OG1 3.31Å; I452-T455 WeakPolarHBondContact CA-OG1 3.39Å; I452-T455 PolarHBondContact O-N 3.47Å; I452-T455 PolarHBondContact O-OG1 2.94Å; T455-R457 VanDerWaalsContact C-N 3.31Å; T455-R457 PolarHBondContact O-N 2.91Å; T455-A458 PolarHBondContact O-N 2.82Å; T455-V459 WeakPolarHBondContact O-CG2 3.48Å; T455-V459 PolarHBondContact O-N 2.61Å
456	V	88.9	Confident	86.3	Confident	1 Å²	1	54 Å²	54	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-43.7	174.2	172.2	0	0	0	0	110.7	I452 A458 V459 W487 H490 V491 A494 H495	I452-V456 HydrophobicContact CG2-CG2 3.91Å; I452-V456 WeakPolarHBondContact O-CB 3.31Å; I452-V456 VanDerWaalsContact O-CG2 3.29Å; I452-V456 WeakPolarHBondContact O-CG2 3.28Å; I452-V456 PolarHBondContact O-N 3.16Å; V456-A458 PolarHBondContact O-N 2.85Å; V456-V459 PolarHBondContact O-N 3.43Å; V456-V459 VanDerWaalsContact O-N 3.14Å; V456-W487 HydrophobicContact CG2-CE3 3.81Å; V456-W487 HydrophobicContact CG2-CZ3 3.71Å; V456-H490 HydrophobicContact CG2-CB 4.24Å; V456-V491 HydrophobicContact CG1-CB 4.47Å; V456-V491 HydrophobicContact CG1-CG2 4.02Å; V456-V491 HydrophobicContact CG2-CG2 4.02Å; V456-A494 HydrophobicContact CG1-CB 3.69Å; V456-H495 PolarHBondContact O-NE2 3.05Å
457	R	86.1	Confident	86.5	Confident	184 Å²	184	49.8 Å²	49.8	69%	0.694	28%	0.276	S	S	*	.	H	α-helix	trans	-61.9	-29	175.9	-72.2	176.7	-176	155.3	0.2	113.5	K453 P454 T455 A494	K453-R457 WeakPolarHBondContact O-CG 3.21Å; K453-R457 PolarHBondContact O-N 3.19Å; P454-R457 PolarHBondContact O-N 3.35Å; T455-R457 VanDerWaalsContact C-N 3.31Å; T455-R457 PolarHBondContact O-N 2.91Å; R457-A494 HydrophobicContact CG-CB 4.46Å
458	A	85.3	Confident	86.7	Confident	39 Å²	39	45.4 Å²	45.4	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-83.5	-9.9	178.7	0	0	0	0	0	113.7	A425 P454 T455 V456	A425-A458 HydrophobicContact CB-CB 3.91Å; P454-A458 PolarHBondContact O-N 2.92Å; T455-A458 PolarHBondContact O-N 2.82Å; V456-A458 PolarHBondContact O-N 2.85Å
459	V	87.7	Confident	86.9	Confident	8 Å²	8	46.8 Å²	46.8	5%	0.048	25%	0.253	C	S	.	.	S	Bend	trans	-71.4	130.7	178.9	-179.6	0	0	0	0	110.6	L428 T455 V456 Q463	L428-V459 HydrophobicContact CD2-CG2 3.79Å; T455-V459 WeakPolarHBondContact O-CG2 3.48Å; T455-V459 PolarHBondContact O-N 2.61Å; V456-V459 PolarHBondContact O-N 3.43Å; V456-V459 VanDerWaalsContact O-N 3.14Å; V459-Q463 HydrophobicContact CG1-CB 3.96Å
460	P	86.4	Confident	87	Confident	68 Å²	68	45.3 Å²	45.3	44%	0.442	25%	0.246	S	C	.	.			trans	-61.9	141.2	173.8	-22.9	33.6	0	0	0	112.4	V429 A462 Q463	V429-P460 HydrophobicContact CG2-CG 4.38Å; P460-A462 PolarHBondContact O-N 3.06Å; P460-A462 VanDerWaalsContact O-N 3.08Å; P460-Q463 PolarHBondContact O-N 3.46Å
461	S	82.1	Confident	87.4	Confident	67 Å²	67	38.8 Å²	38.8	47%	0.469	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-55.7	-34.4	-174.9	54.4	0	0	0	0	114.2	Q463 I464 Y498	S461-Q463 PolarHBondContact O-N 2.71Å; S461-I464 WeakPolarHBondContact O-CG1 3.44Å; S461-I464 PolarHBondContact O-N 3.2Å; S461-Y498 WeakPolarHBondContact O-CE1 3.13Å; S461-Y498 PolarHBondContact O-OH 2.99Å
462	A	84.4	Confident	87.6	Confident	64 Å²	64	37.4 Å²	37.4	53%	0.529	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-62.2	-23.1	177.3	0	0	0	0	0	114.5	P460 P466	P460-A462 PolarHBondContact O-N 3.06Å; P460-A462 VanDerWaalsContact O-N 3.08Å; A462-P466 WeakPolarHBondContact O-CD 3.49Å
463	Q	87	Confident	87.4	Confident	33 Å²	33	42.5 Å²	42.5	15%	0.154	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-94.1	-3.5	-177.7	-62.1	-58.3	-31.8	0	0	113.5	V429 L432 V459 P460 S461 P466 L467	V429-Q463 HydrophobicContact CG1-CG 4.29Å; V429-Q463 HydrophobicContact CG2-CG 4.37Å; L432-Q463 HydrophobicContact CD1-CB 4.12Å; V459-Q463 HydrophobicContact CG1-CB 3.96Å; P460-Q463 PolarHBondContact O-N 3.46Å; S461-Q463 PolarHBondContact O-N 2.71Å; Q463-P466 WeakPolarHBondContact O-CD 3.32Å; Q463-L467 VanDerWaalsContact O-CB 3.3Å; Q463-L467 WeakPolarHBondContact O-CB 3.31Å; Q463-L467 PolarHBondContact O-N 2.91Å
464	I	88.9	Confident	87.3	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-68.7	-41.7	-178.8	-61.3	166.5	0	0	0	111.4	S461 L467 L468 V491 H495 Y498 V499	S461-I464 WeakPolarHBondContact O-CG1 3.44Å; S461-I464 PolarHBondContact O-N 3.2Å; I464-L467 WeakPolarHBondContact O-CB 3.01Å; I464-L467 PolarHBondContact O-N 3.06Å; I464-L468 HydrophobicContact CG2-CD1 4.1Å; I464-L468 HydrophobicContact CG2-CG 4.43Å; I464-L468 WeakPolarHBondContact O-CG 3.28Å; I464-L468 PolarHBondContact O-N 3.25Å; I464-V491 HydrophobicContact CG2-CG1 4.05Å; I464-H495 HydrophobicContact CD1-CB 3.72Å; I464-H495 WeakPolarHBondContact CD1-CD2 3.41Å; I464-Y498 HydrophobicContact CB-CD1 4.15Å; I464-Y498 HydrophobicContact CB-CE1 4.2Å; I464-Y498 HydrophobicContact CD1-CD1 3.59Å; I464-Y498 HydrophobicContact CD1-CE1 4.16Å; I464-Y498 HydrophobicContact CD1-CG 4.2Å; I464-Y498 HydrophobicContact CG1-CD1 4.46Å; I464-Y498 HydrophobicContact CG2-CD1 4.4Å; I464-V499 HydrophobicContact CG2-CG2 4.02Å
465	V	88.7	Confident	87.3	Confident	30 Å²	30	38.7 Å²	38.7	18%	0.182	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-50.6	178.4	178.5	0	0	0	0	111	L467 L468 E469 Y498 P502 A503	V465-L467 VanDerWaalsContact C-N 3.26Å; V465-L467 PolarHBondContact O-N 3.19Å; V465-L468 PolarHBondContact O-N 3.2Å; V465-L468 VanDerWaalsContact O-N 3.15Å; V465-E469 HydrophobicContact CG1-CG 4.46Å; V465-E469 WeakPolarHBondContact O-CG 3.45Å; V465-E469 PolarHBondContact O-N 3.08Å; V465-Y498 HydrophobicContact CG2-CE1 4.41Å; V465-P502 HydrophobicContact CG2-CB 4.4Å; V465-P502 HydrophobicContact CG2-CG 4.19Å; V465-A503 HydrophobicContact CG2-CB 4.17Å
466	P	89	Confident	87	Confident	43 Å²	43	45.3 Å²	45.3	28%	0.279	23%	0.231	S	C	.	.	H	α-helix	trans	-54.7	-38.4	171.8	-27.7	33.7	0	0	0	114.1	L432 A462 Q463 E469 H470	L432-P466 HydrophobicContact CD2-CB 4.45Å; A462-P466 WeakPolarHBondContact O-CD 3.49Å; Q463-P466 WeakPolarHBondContact O-CD 3.32Å; P466-E469 PolarHBondContact O-N 3.46Å; P466-H470 WeakPolarHBondContact O-CB 3.42Å; P466-H470 PolarHBondContact O-N 2.89Å
467	L	91.2	Very high	86.5	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-46.6	176.8	-179.5	59.7	0	0	0	111.8	L428 L432 L444 Q463 I464 V465 H470 I471 V491	L428-L467 HydrophobicContact CD1-CD1 4.03Å; L428-L467 HydrophobicContact CD2-CD1 4.42Å; L428-L467 HydrophobicContact CD2-CD2 4.23Å; L432-L467 HydrophobicContact CD1-CB 3.92Å; L432-L467 HydrophobicContact CD1-CD1 4.32Å; L432-L467 HydrophobicContact CD2-CB 4.35Å; L432-L467 HydrophobicContact CD2-CD1 4.29Å; L444-L467 HydrophobicContact CD2-CD1 4.25Å; Q463-L467 VanDerWaalsContact O-CB 3.3Å; Q463-L467 WeakPolarHBondContact O-CB 3.31Å; Q463-L467 PolarHBondContact O-N 2.91Å; I464-L467 WeakPolarHBondContact O-CB 3.01Å; I464-L467 PolarHBondContact O-N 3.06Å; V465-L467 VanDerWaalsContact C-N 3.26Å; V465-L467 PolarHBondContact O-N 3.19Å; L467-H470 PolarHBondContact O-N 2.77Å; L467-I471 HydrophobicContact CD1-CD1 4.17Å; L467-I471 HydrophobicContact CD1-CG1 4.42Å; L467-I471 HydrophobicContact CG-CD1 4.05Å; L467-I471 WeakPolarHBondContact O-CG1 3.3Å; L467-I471 PolarHBondContact O-N 3.39Å; L467-V491 HydrophobicContact CD2-CG2 3.69Å
468	L	90.4	Very high	85.2	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-39.7	176.8	-73	174	0	0	0	111.8	I464 V465 H470 I471 G472 L488 V491 V499 A503 V506 I510	I464-L468 HydrophobicContact CG2-CD1 4.1Å; I464-L468 HydrophobicContact CG2-CG 4.43Å; I464-L468 WeakPolarHBondContact O-CG 3.28Å; I464-L468 PolarHBondContact O-N 3.25Å; V465-L468 PolarHBondContact O-N 3.2Å; V465-L468 VanDerWaalsContact O-N 3.15Å; L468-H470 VanDerWaalsContact C-N 3.34Å; L468-H470 PolarHBondContact O-N 3.16Å; L468-I471 PolarHBondContact O-N 2.93Å; L468-G472 PolarHBondContact O-N 3.43Å; L468-L488 HydrophobicContact CD2-CD1 3.68Å; L468-V491 HydrophobicContact CD2-CG1 3.9Å; L468-V491 HydrophobicContact CG-CG1 4.22Å; L468-V499 HydrophobicContact CD1-CG1 4.13Å; L468-V499 HydrophobicContact CD1-CG2 4.01Å; L468-A503 HydrophobicContact CD1-CB 4.06Å; L468-V506 HydrophobicContact CB-CG1 3.9Å; L468-I510 HydrophobicContact CB-CD1 4.48Å; L468-I510 HydrophobicContact CD2-CD1 4.36Å
469	E	88.5	Confident	84.4	Confident	103 Å²	103	56.7 Å²	56.7	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-41.7	173.9	-73.4	177.8	174.7	0	0	111.7	V465 P466 G472 Y473 V506	V465-E469 HydrophobicContact CG1-CG 4.46Å; V465-E469 WeakPolarHBondContact O-CG 3.45Å; V465-E469 PolarHBondContact O-N 3.08Å; P466-E469 PolarHBondContact O-N 3.46Å; E469-G472 PolarHBondContact O-N 3.17Å; E469-Y473 VanDerWaalsContact O-CB 3.3Å; E469-Y473 WeakPolarHBondContact O-CB 3.43Å; E469-Y473 PolarHBondContact O-N 3Å; E469-V506 HydrophobicContact CG-CG1 4.09Å; E469-V506 HydrophobicContact CG-CG2 3.83Å
470	H	88.4	Confident	83.4	Confident	28 Å²	28	58 Å²	58	13%	0.13	29%	0.289	C	S	.	.	H	α-helix	trans	-68.1	-43.8	176.7	-175.3	-98.2	0	0	0	111.8	L432 P466 L467 L468 Y473 R474	L432-H470 HydrophobicContact CD2-CB 4.42Å; P466-H470 WeakPolarHBondContact O-CB 3.42Å; P466-H470 PolarHBondContact O-N 2.89Å; L467-H470 PolarHBondContact O-N 2.77Å; L468-H470 VanDerWaalsContact C-N 3.34Å; L468-H470 PolarHBondContact O-N 3.16Å; H470-Y473 PolarHBondContact O-N 2.89Å; H470-R474 PolarHBondContact NE2-NE 3.38Å; H470-R474 WeakPolarHBondContact O-CG 3.14Å; H470-R474 PolarHBondContact O-N 3.33Å
471	I	89.9	Confident	82.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-47.7	174.3	-68.6	169.5	0	0	0	109.8	L467 L468 Y473 R474 L475 W487 L488	L467-I471 HydrophobicContact CD1-CD1 4.17Å; L467-I471 HydrophobicContact CD1-CG1 4.42Å; L467-I471 HydrophobicContact CG-CD1 4.05Å; L467-I471 WeakPolarHBondContact O-CG1 3.3Å; L467-I471 PolarHBondContact O-N 3.39Å; L468-I471 PolarHBondContact O-N 2.93Å; I471-Y473 PolarHBondContact O-N 3.43Å; I471-R474 CarbonylContact O-C 3.29Å; I471-R474 PolarHBondContact O-N 3.38Å; I471-R474 VanDerWaalsContact O-N 3.16Å; I471-L475 HydrophobicContact CG2-CD1 3.83Å; I471-L475 HydrophobicContact CG2-CG 4.15Å; I471-L475 WeakPolarHBondContact O-CB 3.38Å; I471-L475 VanDerWaalsContact O-CG 3.28Å; I471-L475 WeakPolarHBondContact O-CG 3.46Å; I471-L475 PolarHBondContact O-N 3.01Å; I471-W487 HydrophobicContact CD1-CB 4.28Å; I471-L488 HydrophobicContact CG2-CB 4.36Å; I471-L488 HydrophobicContact CG2-CD1 4.44Å
472	G	87.4	Confident	82.9	Confident	4 Å²	4	65.3 Å²	65.3	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-38.9	176.7	0	0	0	0	0	113.4	L468 E469 L475 R476 Q513	L468-G472 PolarHBondContact O-N 3.43Å; E469-G472 PolarHBondContact O-N 3.17Å; G472-L475 PolarHBondContact O-N 3.39Å; G472-R476 PolarHBondContact O-N 3.2Å; G472-Q513 PolarHBondContact O-OE1 2.86Å
473	Y	86.2	Confident	83	Confident	106 Å²	106	62.4 Å²	62.4	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-41.1	172.9	175.7	-95.2	0	0	0	112	E469 H470 I471 R476	E469-Y473 VanDerWaalsContact O-CB 3.3Å; E469-Y473 WeakPolarHBondContact O-CB 3.43Å; E469-Y473 PolarHBondContact O-N 3Å; H470-Y473 PolarHBondContact O-N 2.89Å; I471-Y473 PolarHBondContact O-N 3.43Å; Y473-R476 PolarHBondContact O-N 3.12Å
474	R	84.6	Confident	83.2	Confident	29 Å²	29	61.7 Å²	61.7	11%	0.109	27%	0.274	C	S	.	.	H	α-helix	trans	-72.3	-33.2	176.5	-66.2	-60.5	-173.9	162.1	9.1	112.7	H470 I471 R476 Q477 I480 Y484	H470-R474 PolarHBondContact NE2-NE 3.38Å; H470-R474 WeakPolarHBondContact O-CG 3.14Å; H470-R474 PolarHBondContact O-N 3.33Å; I471-R474 CarbonylContact O-C 3.29Å; I471-R474 PolarHBondContact O-N 3.38Å; I471-R474 VanDerWaalsContact O-N 3.16Å; R474-R476 PolarHBondContact O-N 2.82Å; R474-Q477 VanDerWaalsContact NH1-OE1 3.13Å; R474-Q477 WeakPolarHBondContact O-CB 3.44Å; R474-Q477 PolarHBondContact O-N 3.07Å; R474-I480 WeakPolarHBondContact O-CG1 3.48Å; R474-Y484 HydrophobicContact CB-CD1 4.21Å; R474-Y484 HydrophobicContact CB-CE1 3.9Å; R474-Y484 HydrophobicContact CG-CE1 3.95Å
475	L	84.3	Confident	83.2	Confident	2 Å²	2	65 Å²	65	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-15.4	174.4	-73.2	177.2	0	0	0	113.9	I471 G472 I480 Y485 L488 I510 Q513 R517	I471-L475 HydrophobicContact CG2-CD1 3.83Å; I471-L475 HydrophobicContact CG2-CG 4.15Å; I471-L475 WeakPolarHBondContact O-CB 3.38Å; I471-L475 VanDerWaalsContact O-CG 3.28Å; I471-L475 WeakPolarHBondContact O-CG 3.46Å; I471-L475 PolarHBondContact O-N 3.01Å; G472-L475 PolarHBondContact O-N 3.39Å; L475-I480 VanDerWaalsContact C-CD1 3.47Å; L475-I480 VanDerWaalsContact CA-CD1 3.45Å; L475-I480 HydrophobicContact CB-CD1 4.43Å; L475-I480 HydrophobicContact CD2-CD1 4.15Å; L475-I480 HydrophobicContact CD2-CG1 4.26Å; L475-I480 HydrophobicContact CD2-CG2 3.76Å; L475-I480 WeakPolarHBondContact O-CD1 3.45Å; L475-Y485 HydrophobicContact CD1-CE1 4.41Å; L475-Y485 HydrophobicContact CD2-CD1 4.2Å; L475-Y485 HydrophobicContact CD2-CE1 3.59Å; L475-Y485 HydrophobicContact CD2-CE2 4.1Å; L475-L488 HydrophobicContact CD1-CD2 4.28Å; L475-I510 HydrophobicContact CD1-CG2 3.94Å; L475-Q513 VanDerWaalsContact CB-OE1 3.29Å; L475-R517 PolarHBondContact O-NH2 2.86Å
476	R	82.5	Confident	83.3	Confident	140 Å²	140	64.7 Å²	64.7	53%	0.528	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.2	168.4	-71.8	-173.8	-78.5	-116.1	-1.3	113.7	G472 Y473 R474	G472-R476 PolarHBondContact O-N 3.2Å; Y473-R476 PolarHBondContact O-N 3.12Å; R474-R476 PolarHBondContact O-N 2.82Å
477	Q	77.3	Confident	83.4	Confident	73 Å²	73	62.7 Å²	62.7	34%	0.341	27%	0.271	S	S	.	.	S	Bend	trans	-74.1	149.9	-178.2	-60.5	-174.8	-22	0	0	110.3	R474 K479 I480	R474-Q477 VanDerWaalsContact NH1-OE1 3.13Å; R474-Q477 WeakPolarHBondContact O-CB 3.44Å; R474-Q477 PolarHBondContact O-N 3.07Å; Q477-K479 PolarHBondContact O-N 3.21Å; Q477-I480 WeakPolarHBondContact O-CD1 3.27Å; Q477-I480 WeakPolarHBondContact O-CG1 3.2Å
478	E	59.4	Low	83.4	Confident	189 Å²	189	63.3 Å²	63.3	88%	0.883	28%	0.275	S	S	*	.	S	Bend	trans	-70	-30.7	-171.6	-65.5	-179.5	168.1	0	0	113.3	I480	E478-I480 PolarHBondContact O-N 2.96Å
479	K	68.8	Low	83.5	Confident	200 Å²	200	68.8 Å²	68.8	87%	0.87	30%	0.299	S	S	*	.			trans	-98.6	80.5	-179.1	-62.1	-176.4	-176.8	-179.2	0	111.4	Q477	Q477-K479 PolarHBondContact O-N 3.21Å
480	I	66.6	Low	83.6	Confident	35 Å²	35	64.5 Å²	64.5	18%	0.179	28%	0.278	C	S	.	.			trans	-94.6	132.2	175.6	-72.5	138.4	0	0	0	111.3	R474 L475 Q477 E478 Y485	R474-I480 WeakPolarHBondContact O-CG1 3.48Å; L475-I480 VanDerWaalsContact C-CD1 3.47Å; L475-I480 VanDerWaalsContact CA-CD1 3.45Å; L475-I480 HydrophobicContact CB-CD1 4.43Å; L475-I480 HydrophobicContact CD2-CD1 4.15Å; L475-I480 HydrophobicContact CD2-CG1 4.26Å; L475-I480 HydrophobicContact CD2-CG2 3.76Å; L475-I480 WeakPolarHBondContact O-CD1 3.45Å; Q477-I480 WeakPolarHBondContact O-CD1 3.27Å; Q477-I480 WeakPolarHBondContact O-CG1 3.2Å; E478-I480 PolarHBondContact O-N 2.96Å; I480-Y485 HydrophobicContact CG2-CD2 4.13Å; I480-Y485 HydrophobicContact CG2-CE2 3.48Å; I480-Y485 VanDerWaalsContact CG2-CE2 3.48Å
481	R	74.7	Confident	83.7	Confident	159 Å²	159	63.2 Å²	63.2	60%	0.6	27%	0.272	S	S	*	.			trans	-89.4	146.3	170.9	-69.1	-174.6	170.3	106.1	-3.3	110.2	S483 Y484	R481-S483 PolarHBondContact O-N 3.18Å; R481-Y484 HydrophobicContact CB-CD2 4.4Å; R481-Y484 PolarHBondContact O-N 3.3Å
482	H	83.1	Confident	83.6	Confident	131 Å²	131	65.6 Å²	65.6	61%	0.606	29%	0.287	S	S	*	.	H	α-helix	trans	-52.4	-29	177.8	177.8	67.7	0	0	0	113.5	Y484 Y485 L486	H482-Y484 VanDerWaalsContact C-N 3.29Å; H482-Y484 PolarHBondContact O-N 2.88Å; H482-Y485 PolarHBondContact O-N 3.02Å; H482-L486 PolarHBondContact O-N 2.79Å
483	S	87	Confident	83.6	Confident	3 Å²	3	69 Å²	69	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-54.3	-39.7	179.1	67.7	0	0	0	0	113.4	L444 R481 Y485 L486 W487	L444-S483 WeakPolarHBondContact O-CB 3.41Å; L444-S483 PolarHBondContact O-OG 3Å; R481-S483 PolarHBondContact O-N 3.18Å; S483-Y485 VanDerWaalsContact C-N 3.29Å; S483-Y485 PolarHBondContact O-N 3.38Å; S483-L486 WeakPolarHBondContact O-CB 3.37Å; S483-L486 PolarHBondContact O-N 3.24Å; S483-L486 VanDerWaalsContact O-N 3.12Å; S483-W487 VanDerWaalsContact O-CD1 3.25Å; S483-W487 PolarHBondContact O-N 2.98Å
484	Y	89.8	Confident	83.5	Confident	17 Å²	17	66.1 Å²	66.1	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-34	179.8	-68.2	-82.9	0	0	0	112.9	L444 R474 R481 H482 L488	L444-Y484 HydrophobicContact CB-CD1 4.37Å; L444-Y484 HydrophobicContact CB-CE1 3.92Å; L444-Y484 HydrophobicContact CD1-CD1 4.38Å; L444-Y484 HydrophobicContact CD1-CE1 3.91Å; R474-Y484 HydrophobicContact CB-CD1 4.21Å; R474-Y484 HydrophobicContact CB-CE1 3.9Å; R474-Y484 HydrophobicContact CG-CE1 3.95Å; R481-Y484 HydrophobicContact CB-CD2 4.4Å; R481-Y484 PolarHBondContact O-N 3.3Å; H482-Y484 VanDerWaalsContact C-N 3.29Å; H482-Y484 PolarHBondContact O-N 2.88Å; Y484-L488 WeakPolarHBondContact O-CB 3.23Å; Y484-L488 PolarHBondContact O-N 3.15Å
485	Y	89	Confident	83.4	Confident	72 Å²	72	66.2 Å²	66.2	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-72.4	-34.5	175.3	-65.8	-71.1	0	0	0	111.7	L475 I480 H482 S483 L488 K489 I514 R517	L475-Y485 HydrophobicContact CD1-CE1 4.41Å; L475-Y485 HydrophobicContact CD2-CD1 4.2Å; L475-Y485 HydrophobicContact CD2-CE1 3.59Å; L475-Y485 HydrophobicContact CD2-CE2 4.1Å; I480-Y485 HydrophobicContact CG2-CD2 4.13Å; I480-Y485 HydrophobicContact CG2-CE2 3.48Å; I480-Y485 VanDerWaalsContact CG2-CE2 3.48Å; H482-Y485 PolarHBondContact O-N 3.02Å; S483-Y485 VanDerWaalsContact C-N 3.29Å; S483-Y485 PolarHBondContact O-N 3.38Å; Y485-L488 PolarHBondContact O-N 2.82Å; Y485-K489 WeakPolarHBondContact O-CB 3.31Å; Y485-K489 PolarHBondContact O-N 3.1Å; Y485-I514 HydrophobicContact CE1-CG1 4.18Å; Y485-R517 PolarHBondContact OH-NH1 2.87Å
486	L	90.6	Very high	83.3	Confident	22 Å²	22	69 Å²	69	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-47.2	172.4	-68.4	174.4	0	0	0	111.3	H482 S483 L488 K489 H490	H482-L486 PolarHBondContact O-N 2.79Å; S483-L486 WeakPolarHBondContact O-CB 3.37Å; S483-L486 PolarHBondContact O-N 3.24Å; S483-L486 VanDerWaalsContact O-N 3.12Å; L486-L488 VanDerWaalsContact C-N 3.35Å; L486-L488 PolarHBondContact O-N 2.95Å; L486-K489 WeakPolarHBondContact O-CB 3.24Å; L486-K489 PolarHBondContact O-N 3.33Å; L486-H490 PolarHBondContact O-CD2 2.77Å; L486-H490 PolarHBondContact O-N 3.45Å
487	W	92.4	Very high	83.1	Confident	1 Å²	1	69.4 Å²	69.4	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-45.1	174.4	-81.9	91.2	0	0	0	111.5	L428 V443 L444 K446 I452 V456 I471 S483 K489 H490 V491	L428-W487 HydrophobicContact CD2-CH2 4.39Å; L428-W487 HydrophobicContact CD2-CZ3 3.94Å; V443-W487 HydrophobicContact CG1-CH2 4.1Å; V443-W487 HydrophobicContact CG1-CZ2 4.08Å; L444-W487 HydrophobicContact CD2-CB 4.31Å; L444-W487 HydrophobicContact CD2-CD2 3.55Å; L444-W487 HydrophobicContact CD2-CE3 3.88Å; L444-W487 HydrophobicContact CD2-CG 3.74Å; L444-W487 HydrophobicContact CD2-CZ2 4.4Å; L444-W487 HydrophobicContact CD2-CZ3 4.44Å; K446-W487 PolarHBondContact O-NE1 3.44Å; I452-W487 HydrophobicContact CG1-CD2 4.34Å; I452-W487 HydrophobicContact CG1-CH2 4.42Å; I452-W487 HydrophobicContact CG1-CZ2 3.78Å; I452-W487 HydrophobicContact CG2-CD2 3.89Å; I452-W487 HydrophobicContact CG2-CE3 3.93Å; I452-W487 HydrophobicContact CG2-CG 4.41Å; I452-W487 HydrophobicContact CG2-CH2 4.42Å; I452-W487 HydrophobicContact CG2-CZ2 4.4Å; I452-W487 HydrophobicContact CG2-CZ3 4.19Å; V456-W487 HydrophobicContact CG2-CE3 3.81Å; V456-W487 HydrophobicContact CG2-CZ3 3.71Å; I471-W487 HydrophobicContact CD1-CB 4.28Å; S483-W487 VanDerWaalsContact O-CD1 3.25Å; S483-W487 PolarHBondContact O-N 2.98Å; W487-K489 PolarHBondContact O-N 2.94Å; W487-H490 PolarHBondContact O-N 2.9Å; W487-V491 WeakPolarHBondContact O-CB 3.2Å; W487-V491 WeakPolarHBondContact O-CG2 3.29Å; W487-V491 PolarHBondContact O-N 3.2Å
488	L	91.6	Very high	82.9	Confident	16 Å²	16	69.8 Å²	69.8	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-46.2	175.9	-176.7	64.6	0	0	0	112.1	L468 I471 L475 Y484 Y485 L486 H490 V491 V492 I510 I514	L468-L488 HydrophobicContact CD2-CD1 3.68Å; I471-L488 HydrophobicContact CG2-CB 4.36Å; I471-L488 HydrophobicContact CG2-CD1 4.44Å; L475-L488 HydrophobicContact CD1-CD2 4.28Å; Y484-L488 WeakPolarHBondContact O-CB 3.23Å; Y484-L488 PolarHBondContact O-N 3.15Å; Y485-L488 PolarHBondContact O-N 2.82Å; L486-L488 VanDerWaalsContact C-N 3.35Å; L486-L488 PolarHBondContact O-N 2.95Å; L488-H490 VanDerWaalsContact C-N 3.33Å; L488-H490 PolarHBondContact O-N 3.31Å; L488-V491 PolarHBondContact O-N 3.22Å; L488-V492 HydrophobicContact CD1-CG2 4.07Å; L488-V492 HydrophobicContact CG-CG2 4.47Å; L488-V492 WeakPolarHBondContact O-CB 3.36Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 3.06Å; L488-I510 HydrophobicContact CD1-CD1 4.24Å; L488-I510 HydrophobicContact CD1-CG2 4.37Å; L488-I510 HydrophobicContact CD2-CG2 3.6Å; L488-I514 HydrophobicContact CD2-CD1 3.94Å
489	K	91.2	Very high	83.5	Confident	115 Å²	115	61 Å²	61	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-54.2	-48.8	176.1	175.7	-168.6	174.4	-165.1	0	110.7	E449 Y485 L486 W487 A493	E449-K489 IonicContact OE1-NZ 3.24Å; E449-K489 IonicContact OE2-NZ 3.99Å; Y485-K489 WeakPolarHBondContact O-CB 3.31Å; Y485-K489 PolarHBondContact O-N 3.1Å; L486-K489 WeakPolarHBondContact O-CB 3.24Å; L486-K489 PolarHBondContact O-N 3.33Å; W487-K489 PolarHBondContact O-N 2.94Å; K489-A493 VanDerWaalsContact O-CB 3.22Å; K489-A493 WeakPolarHBondContact O-CB 3.45Å; K489-A493 PolarHBondContact O-N 3.12Å
490	H	90.5	Very high	83.6	Confident	13 Å²	13	56.1 Å²	56.1	6%	0.06	29%	0.292	C	S	.	.	H	α-helix	trans	-74.4	-36.6	-177.7	-70.2	-55.5	0	0	0	113.8	E449 I452 K453 V456 L486 W487 L488 A493 A494	E449-H490 VanDerWaalsContact CD-CE1 3.43Å; E449-H490 VanDerWaalsContact CD-NE2 3.3Å; E449-H490 WeakPolarHBondContact CG-NE2 2.99Å; E449-H490 IonicContact OE1-CE1 3.39Å; E449-H490 PolarHBondContact OE1-CE1 2.99Å; E449-H490 IonicContact OE1-NE2 2.77Å; E449-H490 PolarHBondContact OE1-NE2 2.99Å; E449-H490 IonicContact OE2-NE2 3.02Å; I452-H490 HydrophobicContact CG2-CB 3.91Å; K453-H490 VanDerWaalsContact CE-CE1 3.46Å; K453-H490 WeakPolarHBondContact CE-CE1 3.39Å; V456-H490 HydrophobicContact CG2-CB 4.24Å; L486-H490 PolarHBondContact O-CD2 2.77Å; L486-H490 PolarHBondContact O-N 3.45Å; W487-H490 PolarHBondContact O-N 2.9Å; L488-H490 VanDerWaalsContact C-N 3.33Å; L488-H490 PolarHBondContact O-N 3.31Å; H490-A493 PolarHBondContact O-N 2.85Å; H490-A494 VanDerWaalsContact O-CB 3.26Å; H490-A494 WeakPolarHBondContact O-CB 3.46Å; H490-A494 PolarHBondContact O-N 2.89Å
491	V	90.9	Very high	83.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-46.6	175.2	171.3	0	0	0	0	110.7	V456 I464 L467 L468 W487 L488 H495	V456-V491 HydrophobicContact CG1-CB 4.47Å; V456-V491 HydrophobicContact CG1-CG2 4.02Å; V456-V491 HydrophobicContact CG2-CG2 4.02Å; I464-V491 HydrophobicContact CG2-CG1 4.05Å; L467-V491 HydrophobicContact CD2-CG2 3.69Å; L468-V491 HydrophobicContact CD2-CG1 3.9Å; L468-V491 HydrophobicContact CG-CG1 4.22Å; W487-V491 WeakPolarHBondContact O-CB 3.2Å; W487-V491 WeakPolarHBondContact O-CG2 3.29Å; W487-V491 PolarHBondContact O-N 3.2Å; L488-V491 PolarHBondContact O-N 3.22Å; V491-H495 WeakPolarHBondContact O-CB 2.96Å; V491-H495 PolarHBondContact O-N 3Å
492	V	87.8	Confident	83.4	Confident	51 Å²	51	55.6 Å²	55.6	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-39.4	177.9	176	0	0	0	0	111.1	L488 S496 L507	L488-V492 HydrophobicContact CD1-CG2 4.07Å; L488-V492 HydrophobicContact CG-CG2 4.47Å; L488-V492 WeakPolarHBondContact O-CB 3.36Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 3.06Å; V492-S496 VanDerWaalsContact O-CA 3.29Å; V492-S496 WeakPolarHBondContact O-CA 3.5Å; V492-S496 WeakPolarHBondContact O-CB 3.22Å; V492-S496 PolarHBondContact O-N 3.38Å; V492-L507 HydrophobicContact CG2-CD1 4.33Å
493	A	87.3	Confident	82.6	Confident	75 Å²	75	49.4 Å²	49.4	62%	0.62	28%	0.281	S	S	*	.	H	α-helix	trans	-67	-43.8	177.9	0	0	0	0	0	113.1	K489 H490	K489-A493 VanDerWaalsContact O-CB 3.22Å; K489-A493 WeakPolarHBondContact O-CB 3.45Å; K489-A493 PolarHBondContact O-N 3.12Å; H490-A493 PolarHBondContact O-N 2.85Å
494	A	85	Confident	82.1	Confident	46 Å²	46	56.8 Å²	56.8	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-77.2	-32.2	-177.3	0	0	0	0	0	113	V456 R457 H490	V456-A494 HydrophobicContact CG1-CB 3.69Å; R457-A494 HydrophobicContact CG-CB 4.46Å; H490-A494 VanDerWaalsContact O-CB 3.26Å; H490-A494 WeakPolarHBondContact O-CB 3.46Å; H490-A494 PolarHBondContact O-N 2.89Å
495	H	82.3	Confident	81.8	Confident	31 Å²	31	63.9 Å²	63.9	14%	0.144	35%	0.346	C	S	.	.	H	α-helix	trans	-119	23.9	-173.1	-57.9	-45.9	0	0	0	114.1	V456 I464 V491 N497 Y498 V499	V456-H495 PolarHBondContact O-NE2 3.05Å; I464-H495 HydrophobicContact CD1-CB 3.72Å; I464-H495 WeakPolarHBondContact CD1-CD2 3.41Å; V491-H495 WeakPolarHBondContact O-CB 2.96Å; V491-H495 PolarHBondContact O-N 3Å; H495-N497 PolarHBondContact O-N 2.89Å; H495-N497 VanDerWaalsContact O-N 3.09Å; H495-Y498 PolarHBondContact O-N 3.46Å; H495-V499 HydrophobicContact CB-CG2 4.22Å; H495-V499 WeakPolarHBondContact O-CG2 3.49Å; H495-V499 PolarHBondContact O-N 2.89Å
496	S	81.7	Confident	81.5	Confident	60 Å²	60	61.6 Å²	61.6	42%	0.42	34%	0.34	S	S	.	.	H	α-helix	trans	-44.5	-46.5	180	-176.8	0	0	0	0	113.2	V492 Y498 V499 T500	V492-S496 VanDerWaalsContact O-CA 3.29Å; V492-S496 WeakPolarHBondContact O-CA 3.5Å; V492-S496 WeakPolarHBondContact O-CB 3.22Å; V492-S496 PolarHBondContact O-N 3.38Å; S496-Y498 PolarHBondContact O-N 3.41Å; S496-V499 PolarHBondContact O-N 2.91Å; S496-T500 PolarHBondContact O-N 3.11Å; S496-T500 PolarHBondContact O-OG1 3.04Å
497	N	78.8	Confident	81.3	Confident	148 Å²	148	63.6 Å²	63.6	79%	0.791	35%	0.35	S	S	*	.	H	α-helix	trans	-63.7	-38.8	-179.9	-60.6	-7.1	0	0	0	113	H495	H495-N497 PolarHBondContact O-N 2.89Å; H495-N497 VanDerWaalsContact O-N 3.09Å
498	Y	72.1	Confident	81	Confident	82 Å²	82	71.1 Å²	71.1	32%	0.322	38%	0.38	S	S	.	.	H	α-helix	trans	-81.8	-28.7	179.9	-173.7	-96.2	0	0	0	112.3	S461 I464 V465 H495 S496 P502	S461-Y498 WeakPolarHBondContact O-CE1 3.13Å; S461-Y498 PolarHBondContact O-OH 2.99Å; I464-Y498 HydrophobicContact CB-CD1 4.15Å; I464-Y498 HydrophobicContact CB-CE1 4.2Å; I464-Y498 HydrophobicContact CD1-CD1 3.59Å; I464-Y498 HydrophobicContact CD1-CE1 4.16Å; I464-Y498 HydrophobicContact CD1-CG 4.2Å; I464-Y498 HydrophobicContact CG1-CD1 4.46Å; I464-Y498 HydrophobicContact CG2-CD1 4.4Å; V465-Y498 HydrophobicContact CG2-CE1 4.41Å; H495-Y498 PolarHBondContact O-N 3.46Å; S496-Y498 PolarHBondContact O-N 3.41Å; Y498-P502 HydrophobicContact CD1-CG 4.46Å; Y498-P502 HydrophobicContact CE1-CG 4.06Å; Y498-P502 WeakPolarHBondContact O-CD 3.44Å; Y498-P502 WeakPolarHBondContact O-CG 3.18Å
499	V	72.8	Confident	80.7	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.024	39%	0.394	C	S	.	.	H	α-helix	trans	-73.3	-29.6	-179	173	0	0	0	0	111.9	I464 L468 H495 S496 T501 A503 L507	I464-V499 HydrophobicContact CG2-CG2 4.02Å; L468-V499 HydrophobicContact CD1-CG1 4.13Å; L468-V499 HydrophobicContact CD1-CG2 4.01Å; H495-V499 HydrophobicContact CB-CG2 4.22Å; H495-V499 WeakPolarHBondContact O-CG2 3.49Å; H495-V499 PolarHBondContact O-N 2.89Å; S496-V499 PolarHBondContact O-N 2.91Å; V499-T501 PolarHBondContact O-N 2.92Å; V499-A503 HydrophobicContact CG1-CB 4.04Å; V499-A503 WeakPolarHBondContact O-CB 3.39Å; V499-A503 PolarHBondContact O-N 2.92Å; V499-L507 HydrophobicContact CG1-CD1 4.35Å; V499-L507 HydrophobicContact CG1-CD2 4.28Å
500	T	70.7	Confident	80.6	Confident	98 Å²	98	68.5 Å²	68.5	60%	0.601	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.3	-172.6	-51.1	0	0	0	0	113.3	S496	S496-T500 PolarHBondContact O-N 3.11Å; S496-T500 PolarHBondContact O-OG1 3.04Å
501	T	68.6	Low	80.4	Confident	113 Å²	113	73.3 Å²	73.3	69%	0.693	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-60.5	-171.5	42.8	0	0	0	0	114.8	V499	V499-T501 PolarHBondContact O-N 2.92Å
502	P	68.3	Low	80.3	Confident	69 Å²	69	81.8 Å²	81.8	45%	0.448	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-23.9	178.6	35.9	-37.6	0	0	0	114.6	V465 Y498	V465-P502 HydrophobicContact CG2-CB 4.4Å; V465-P502 HydrophobicContact CG2-CG 4.19Å; Y498-P502 HydrophobicContact CD1-CG 4.46Å; Y498-P502 HydrophobicContact CE1-CG 4.06Å; Y498-P502 WeakPolarHBondContact O-CD 3.44Å; Y498-P502 WeakPolarHBondContact O-CG 3.18Å
503	A	66.9	Low	80.1	Confident	1 Å²	1	80.9 Å²	80.9	1%	0.008	42%	0.417	C	S	.	.			trans	-101.1	13.8	-165.9	0	0	0	0	0	114.2	V465 L468 V499 E505 V506 L507	V465-A503 HydrophobicContact CG2-CB 4.17Å; L468-A503 HydrophobicContact CD1-CB 4.06Å; V499-A503 HydrophobicContact CG1-CB 4.04Å; V499-A503 WeakPolarHBondContact O-CB 3.39Å; V499-A503 PolarHBondContact O-N 2.92Å; A503-E505 PolarHBondContact O-N 3.43Å; A503-V506 PolarHBondContact O-N 3.19Å; A503-L507 WeakPolarHBondContact O-CB 3.29Å; A503-L507 PolarHBondContact O-N 2.85Å
504	K	76.6	Confident	79.9	Confident	159 Å²	159	79.8 Å²	79.8	69%	0.691	40%	0.4	S	S	*	.	H	α-helix	trans	-60.6	-40.5	-171.5	-168.8	178.1	-180	-178.4	0	113.1	Y508	K504-Y508 WeakPolarHBondContact O-CB 3.21Å; K504-Y508 PolarHBondContact O-N 2.93Å
505	E	82.2	Confident	80	Confident	165 Å²	165	80.2 Å²	80.2	77%	0.771	40%	0.396	S	S	*	.	H	α-helix	trans	-66.9	-47.7	178.8	-64.8	-175.4	168.4	0	0	111.6	A503 L507 Y508 D509	A503-E505 PolarHBondContact O-N 3.43Å; E505-L507 VanDerWaalsContact C-N 3.32Å; E505-L507 PolarHBondContact O-N 2.97Å; E505-Y508 WeakPolarHBondContact O-CB 3.4Å; E505-Y508 PolarHBondContact O-N 2.75Å; E505-Y508 VanDerWaalsContact O-N 3.17Å; E505-D509 PolarHBondContact O-N 2.88Å
506	V	83.7	Confident	80	Confident	25 Å²	25	82.3 Å²	82.3	15%	0.152	42%	0.418	C	S	.	.	H	α-helix	trans	-61.8	-41.3	178.2	-176.8	0	0	0	0	111.1	L468 E469 A503 D509 I510	L468-V506 HydrophobicContact CB-CG1 3.9Å; E469-V506 HydrophobicContact CG-CG1 4.09Å; E469-V506 HydrophobicContact CG-CG2 3.83Å; A503-V506 PolarHBondContact O-N 3.19Å; V506-D509 PolarHBondContact O-N 2.74Å; V506-I510 HydrophobicContact CG1-CD1 4.12Å; V506-I510 VanDerWaalsContact O-CG1 3.31Å; V506-I510 WeakPolarHBondContact O-CG1 3.38Å; V506-I510 PolarHBondContact O-N 3.33Å
507	L	85.7	Confident	80	Confident	63 Å²	63	83.4 Å²	83.4	33%	0.33	41%	0.413	S	S	.	.	H	α-helix	trans	-66.1	-38.9	176.9	-169.1	73.5	0	0	0	111.7	V492 V499 A503 E505 D509 I510 F511	V492-L507 HydrophobicContact CG2-CD1 4.33Å; V499-L507 HydrophobicContact CG1-CD1 4.35Å; V499-L507 HydrophobicContact CG1-CD2 4.28Å; A503-L507 WeakPolarHBondContact O-CB 3.29Å; A503-L507 PolarHBondContact O-N 2.85Å; E505-L507 VanDerWaalsContact C-N 3.32Å; E505-L507 PolarHBondContact O-N 2.97Å; L507-D509 VanDerWaalsContact C-N 3.35Å; L507-I510 PolarHBondContact O-N 3.48Å; L507-F511 VanDerWaalsContact O-CB 3.29Å; L507-F511 WeakPolarHBondContact O-CB 3.39Å; L507-F511 PolarHBondContact O-N 2.95Å
508	Y	87.2	Confident	80.2	Confident	159 Å²	159	81.7 Å²	81.7	62%	0.624	40%	0.402	S	S	*	.	H	α-helix	trans	-63.8	-40.9	176.4	-173.1	-99.5	0	0	0	111.7	K504 E505 F511 R512	K504-Y508 WeakPolarHBondContact O-CB 3.21Å; K504-Y508 PolarHBondContact O-N 2.93Å; E505-Y508 WeakPolarHBondContact O-CB 3.4Å; E505-Y508 PolarHBondContact O-N 2.75Å; E505-Y508 VanDerWaalsContact O-N 3.17Å; Y508-F511 PolarHBondContact O-N 2.64Å; Y508-R512 WeakPolarHBondContact O-CB 3.36Å; Y508-R512 PolarHBondContact O-N 2.76Å
509	D	84.9	Confident	80.8	Confident	73 Å²	73	81.6 Å²	81.6	39%	0.39	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-43.5	174.5	-82.5	-12.5	0	0	0	112.3	E505 V506 L507 R512 Q513	E505-D509 PolarHBondContact O-N 2.88Å; V506-D509 PolarHBondContact O-N 2.74Å; L507-D509 VanDerWaalsContact C-N 3.35Å; D509-R512 PolarHBondContact O-N 2.89Å; D509-Q513 VanDerWaalsContact O-CG 3.29Å; D509-Q513 WeakPolarHBondContact O-CG 3.31Å; D509-Q513 PolarHBondContact O-N 3.12Å; D509-Q513 VanDerWaalsContact O-N 3.13Å
510	I	88.4	Confident	81.1	Confident	3 Å²	3	86 Å²	86	2%	0.015	43%	0.434	C	S	.	.	H	α-helix	trans	-63.6	-44.2	175.1	-67.6	167.9	0	0	0	110.4	L468 L475 L488 V506 L507 R512 Q513 I514	L468-I510 HydrophobicContact CB-CD1 4.48Å; L468-I510 HydrophobicContact CD2-CD1 4.36Å; L475-I510 HydrophobicContact CD1-CG2 3.94Å; L488-I510 HydrophobicContact CD1-CD1 4.24Å; L488-I510 HydrophobicContact CD1-CG2 4.37Å; L488-I510 HydrophobicContact CD2-CG2 3.6Å; V506-I510 HydrophobicContact CG1-CD1 4.12Å; V506-I510 VanDerWaalsContact O-CG1 3.31Å; V506-I510 WeakPolarHBondContact O-CG1 3.38Å; V506-I510 PolarHBondContact O-N 3.33Å; L507-I510 PolarHBondContact O-N 3.48Å; I510-R512 PolarHBondContact O-N 2.94Å; I510-Q513 WeakPolarHBondContact O-CB 3.27Å; I510-Q513 PolarHBondContact O-N 3.07Å; I510-Q513 VanDerWaalsContact O-N 3.16Å; I510-I514 HydrophobicContact CG2-CD1 3.82Å; I510-I514 HydrophobicContact CG2-CG1 4.42Å; I510-I514 WeakPolarHBondContact O-CG1 3.37Å; I510-I514 PolarHBondContact O-N 2.89Å
511	F	87.3	Confident	81.6	Confident	115 Å²	115	86.6 Å²	86.6	50%	0.504	43%	0.433	S	S	.	.	H	α-helix	trans	-62.3	-42.6	178.5	-177.5	-112.8	0	0	0	111.8	L507 Y508 Q513 I514 N515	L507-F511 VanDerWaalsContact O-CB 3.29Å; L507-F511 WeakPolarHBondContact O-CB 3.39Å; L507-F511 PolarHBondContact O-N 2.95Å; Y508-F511 PolarHBondContact O-N 2.64Å; F511-Q513 VanDerWaalsContact C-N 3.28Å; F511-Q513 PolarHBondContact O-N 3.03Å; F511-I514 PolarHBondContact O-N 2.88Å; F511-N515 VanDerWaalsContact CD1-ND2 3.28Å; F511-N515 WeakPolarHBondContact CD1-ND2 3.41Å; F511-N515 WeakPolarHBondContact CE1-ND2 3.34Å; F511-N515 WeakPolarHBondContact CZ-ND2 3.13Å; F511-N515 WeakPolarHBondContact O-CB 3.36Å; F511-N515 PolarHBondContact O-N 3.17Å; F511-N515 PolarHBondContact O-ND2 2.96Å
512	R	87.1	Confident	82.4	Confident	177 Å²	177	84.4 Å²	84.4	67%	0.668	42%	0.422	S	S	*	.	H	α-helix	trans	-58.7	-40.1	174.1	-172.8	-179.7	179.6	-171.1	0.5	111.7	Y508 D509 I510 A516	Y508-R512 WeakPolarHBondContact O-CB 3.36Å; Y508-R512 PolarHBondContact O-N 2.76Å; D509-R512 PolarHBondContact O-N 2.89Å; I510-R512 PolarHBondContact O-N 2.94Å; R512-A516 WeakPolarHBondContact O-CB 3.48Å; R512-A516 PolarHBondContact O-N 2.84Å
513	Q	83.8	Confident	83.2	Confident	33 Å²	33	87.9 Å²	87.9	15%	0.154	43%	0.43	C	S	.	.	H	α-helix	trans	-69.4	-40.7	177.4	-69.9	168.1	18.6	0	0	112.8	G472 L475 D509 I510 F511 A516 R517	G472-Q513 PolarHBondContact O-OE1 2.86Å; L475-Q513 VanDerWaalsContact CB-OE1 3.29Å; D509-Q513 VanDerWaalsContact O-CG 3.29Å; D509-Q513 WeakPolarHBondContact O-CG 3.31Å; D509-Q513 PolarHBondContact O-N 3.12Å; D509-Q513 VanDerWaalsContact O-N 3.13Å; I510-Q513 WeakPolarHBondContact O-CB 3.27Å; I510-Q513 PolarHBondContact O-N 3.07Å; I510-Q513 VanDerWaalsContact O-N 3.16Å; F511-Q513 VanDerWaalsContact C-N 3.28Å; F511-Q513 PolarHBondContact O-N 3.03Å; Q513-A516 PolarHBondContact O-N 2.79Å; Q513-R517 WeakPolarHBondContact O-CG 3.47Å; Q513-R517 PolarHBondContact O-N 2.84Å
514	I	84.7	Confident	84	Confident	51 Å²	51	92 Å²	92	26%	0.262	46%	0.455	S	S	.	.	H	α-helix	trans	-64.2	-47.2	175.9	-67.9	169.2	0	0	0	109.8	Y485 L488 I510 F511 A516 R517 M518	Y485-I514 HydrophobicContact CE1-CG1 4.18Å; L488-I514 HydrophobicContact CD2-CD1 3.94Å; I510-I514 HydrophobicContact CG2-CD1 3.82Å; I510-I514 HydrophobicContact CG2-CG1 4.42Å; I510-I514 WeakPolarHBondContact O-CG1 3.37Å; I510-I514 PolarHBondContact O-N 2.89Å; F511-I514 PolarHBondContact O-N 2.88Å; I514-A516 VanDerWaalsContact C-N 3.32Å; I514-A516 PolarHBondContact O-N 2.66Å; I514-R517 WeakPolarHBondContact O-CA 3.29Å; I514-R517 PolarHBondContact O-N 2.77Å; I514-M518 HydrophobicContact CG2-CG 4.32Å; I514-M518 WeakPolarHBondContact O-CG 3.21Å; I514-M518 PolarHBondContact O-N 3.47Å
515	N	85.4	Confident	84.4	Confident	56 Å²	56	87.1 Å²	87.1	30%	0.299	44%	0.439	S	S	.	.	H	α-helix	trans	-63.7	-35	178.7	-73.8	-19.5	0	0	0	113.2	F511 R517 M518 P519	F511-N515 VanDerWaalsContact CD1-ND2 3.28Å; F511-N515 WeakPolarHBondContact CD1-ND2 3.41Å; F511-N515 WeakPolarHBondContact CE1-ND2 3.34Å; F511-N515 WeakPolarHBondContact CZ-ND2 3.13Å; F511-N515 WeakPolarHBondContact O-CB 3.36Å; F511-N515 PolarHBondContact O-N 3.17Å; F511-N515 PolarHBondContact O-ND2 2.96Å; N515-R517 PolarHBondContact O-N 2.81Å; N515-M518 PolarHBondContact O-N 3.36Å; N515-P519 WeakPolarHBondContact O-CD 3.37Å
516	A	83.4	Confident	84.6	Confident	75 Å²	75	83.3 Å²	83.3	62%	0.62	42%	0.424	S	S	*	.	H	α-helix	trans	-62.7	-23	173.4	0	0	0	0	0	112.8	R512 Q513 I514	R512-A516 WeakPolarHBondContact O-CB 3.48Å; R512-A516 PolarHBondContact O-N 2.84Å; Q513-A516 PolarHBondContact O-N 2.79Å; I514-A516 VanDerWaalsContact C-N 3.32Å; I514-A516 PolarHBondContact O-N 2.66Å
517	R	80.7	Confident	84.8	Confident	82 Å²	82	87.3 Å²	87.3	31%	0.309	44%	0.444	S	S	.	.	H	α-helix	trans	-99.5	-23.6	-178.8	-66.1	175	-178.8	-139.7	-4.3	114.1	L475 Y485 Q513 I514 N515 P519 L520	L475-R517 PolarHBondContact O-NH2 2.86Å; Y485-R517 PolarHBondContact OH-NH1 2.87Å; Q513-R517 WeakPolarHBondContact O-CG 3.47Å; Q513-R517 PolarHBondContact O-N 2.84Å; I514-R517 WeakPolarHBondContact O-CA 3.29Å; I514-R517 PolarHBondContact O-N 2.77Å; N515-R517 PolarHBondContact O-N 2.81Å; R517-P519 VanDerWaalsContact C-N 3.29Å; R517-L520 VanDerWaalsContact O-CB 3.31Å; R517-L520 WeakPolarHBondContact O-CB 3.4Å; R517-L520 PolarHBondContact O-N 2.84Å
518	M	84.8	Confident	84.7	Confident	112 Å²	112	87.3 Å²	87.3	55%	0.552	45%	0.449	S	S	*	.	H	α-helix	trans	-52.3	-37.6	178.7	-69.3	-147.5	-51.2	0	0	114.4	I514 N515 L520 L521	I514-M518 HydrophobicContact CG2-CG 4.32Å; I514-M518 WeakPolarHBondContact O-CG 3.21Å; I514-M518 PolarHBondContact O-N 3.47Å; N515-M518 PolarHBondContact O-N 3.36Å; M518-L520 PolarHBondContact O-N 3.26Å; M518-L521 VanDerWaalsContact O-CB 3.23Å; M518-L521 WeakPolarHBondContact O-CB 3.31Å; M518-L521 PolarHBondContact O-N 3Å
519	P	83	Confident	84.8	Confident	80 Å²	80	85.7 Å²	85.7	52%	0.519	45%	0.447	S	S	.	.	H	α-helix	trans	-64.8	-19.7	176	-22.7	33.6	0	0	0	114.4	N515 R517 L521 S522	N515-P519 WeakPolarHBondContact O-CD 3.37Å; R517-P519 VanDerWaalsContact C-N 3.29Å; P519-L521 VanDerWaalsContact C-N 3.34Å; P519-S522 PolarHBondContact O-OG 2.77Å; P519-S522 VanDerWaalsContact O-OG 3.14Å
520	L	80.7	Confident	84.8	Confident	97 Å²	97	91 Å²	91	51%	0.508	46%	0.462	S	S	.	.	H	α-helix	trans	-79.5	-21.7	174.2	-57.9	174.9	0	0	0	111.4	R517 M518 S522 K523 V524	R517-L520 VanDerWaalsContact O-CB 3.31Å; R517-L520 WeakPolarHBondContact O-CB 3.4Å; R517-L520 PolarHBondContact O-N 2.84Å; M518-L520 PolarHBondContact O-N 3.26Å; L520-S522 PolarHBondContact O-N 3.1Å; L520-K523 PolarHBondContact O-N 3Å; L520-V524 WeakPolarHBondContact O-CB 3.27Å; L520-V524 VanDerWaalsContact O-CG2 3.26Å; L520-V524 WeakPolarHBondContact O-CG2 3.34Å; L520-V524 PolarHBondContact O-N 2.98Å
521	L	80.3	Confident	84.8	Confident	110 Å²	110	95.3 Å²	95.3	58%	0.576	48%	0.484	S	S	*	.	H	α-helix	trans	-63.5	-42.4	-179.7	-176	63	0	0	0	111.2	M518 P519 K523 V524 V525	M518-L521 VanDerWaalsContact O-CB 3.23Å; M518-L521 WeakPolarHBondContact O-CB 3.31Å; M518-L521 PolarHBondContact O-N 3Å; P519-L521 VanDerWaalsContact C-N 3.34Å; L521-K523 VanDerWaalsContact C-N 3.35Å; L521-K523 PolarHBondContact O-N 3.18Å; L521-V524 PolarHBondContact O-N 3.14Å; L521-V525 HydrophobicContact CD1-CG2 4.17Å; L521-V525 HydrophobicContact CG-CG2 4.26Å; L521-V525 WeakPolarHBondContact O-CB 3.27Å; L521-V525 VanDerWaalsContact O-CG2 3.23Å; L521-V525 WeakPolarHBondContact O-CG2 3.34Å; L521-V525 PolarHBondContact O-N 3.47Å
522	S	85	Confident	84.6	Confident	67 Å²	67	92 Å²	92	47%	0.469	48%	0.478	S	S	.	.	H	α-helix	trans	-60.1	-46.1	175.6	55.3	0	0	0	0	111.4	P519 L520 V524 V525 D526	P519-S522 PolarHBondContact O-OG 2.77Å; P519-S522 VanDerWaalsContact O-OG 3.14Å; L520-S522 PolarHBondContact O-N 3.1Å; S522-V524 VanDerWaalsContact C-N 3.31Å; S522-V524 PolarHBondContact O-N 3.06Å; S522-V525 PolarHBondContact O-N 2.81Å; S522-D526 WeakPolarHBondContact O-CB 3.35Å; S522-D526 PolarHBondContact O-N 3.25Å
523	K	85.4	Confident	84.6	Confident	142 Å²	142	90.2 Å²	90.2	62%	0.617	48%	0.475	S	S	*	.	H	α-helix	trans	-61.8	-37.6	176.6	-62.8	-176.1	179.8	-178.2	0	112.8	L520 L521 L527	L520-K523 PolarHBondContact O-N 3Å; L521-K523 VanDerWaalsContact C-N 3.35Å; L521-K523 PolarHBondContact O-N 3.18Å; K523-L527 VanDerWaalsContact O-CB 3.22Å; K523-L527 WeakPolarHBondContact O-CB 3.47Å; K523-L527 PolarHBondContact O-N 2.77Å
524	V	84.7	Confident	84.6	Confident	87 Å²	87	92.2 Å²	92.2	53%	0.527	49%	0.487	S	S	.	.	H	α-helix	trans	-73.3	-37.8	178.1	171.2	0	0	0	0	111	L520 L521 S522 L527 S528	L520-V524 WeakPolarHBondContact O-CB 3.27Å; L520-V524 VanDerWaalsContact O-CG2 3.26Å; L520-V524 WeakPolarHBondContact O-CG2 3.34Å; L520-V524 PolarHBondContact O-N 2.98Å; L521-V524 PolarHBondContact O-N 3.14Å; S522-V524 VanDerWaalsContact C-N 3.31Å; S522-V524 PolarHBondContact O-N 3.06Å; V524-L527 PolarHBondContact O-N 2.73Å; V524-S528 VanDerWaalsContact O-CB 3.25Å; V524-S528 WeakPolarHBondContact O-CB 3.34Å; V524-S528 PolarHBondContact O-N 2.84Å; V524-S528 PolarHBondContact O-OG 2.76Å
525	V	85.4	Confident	84.5	Confident	57 Å²	57	92.4 Å²	92.4	35%	0.345	49%	0.49	S	S	.	.	H	α-helix	trans	-63.8	-49.8	173.9	171.4	0	0	0	0	109.5	L521 S522 L527 S528 E529	L521-V525 HydrophobicContact CD1-CG2 4.17Å; L521-V525 HydrophobicContact CG-CG2 4.26Å; L521-V525 WeakPolarHBondContact O-CB 3.27Å; L521-V525 VanDerWaalsContact O-CG2 3.23Å; L521-V525 WeakPolarHBondContact O-CG2 3.34Å; L521-V525 PolarHBondContact O-N 3.47Å; S522-V525 PolarHBondContact O-N 2.81Å; V525-L527 VanDerWaalsContact C-N 3.26Å; V525-L527 PolarHBondContact O-N 2.82Å; V525-S528 WeakPolarHBondContact CA-OG 3.36Å; V525-S528 WeakPolarHBondContact O-CA 3.33Å; V525-S528 WeakPolarHBondContact O-CB 3.44Å; V525-S528 PolarHBondContact O-N 2.92Å; V525-S528 PolarHBondContact O-OG 3.22Å; V525-E529 WeakPolarHBondContact O-CG 3.44Å; V525-E529 PolarHBondContact O-N 3.28Å
526	D	85.4	Confident	84.4	Confident	86 Å²	86	97.1 Å²	97.1	46%	0.46	51%	0.508	S	S	.	.	H	α-helix	trans	-56.2	-42	174.9	-64.4	-14.1	0	0	0	111.7	S522 E529 R530	S522-D526 WeakPolarHBondContact O-CB 3.35Å; S522-D526 PolarHBondContact O-N 3.25Å; D526-E529 PolarHBondContact O-N 2.83Å; D526-R530 VanDerWaalsContact O-CG 3.3Å; D526-R530 WeakPolarHBondContact O-CG 3.49Å; D526-R530 PolarHBondContact O-N 3.45Å
527	L	88.1	Confident	84	Confident	109 Å²	109	99.8 Å²	99.8	57%	0.571	50%	0.502	S	S	*	.	H	α-helix	trans	-71.5	-34.8	178.1	-165.6	131.2	0	0	0	112	K523 V524 V525 E529 R530 L531	K523-L527 VanDerWaalsContact O-CB 3.22Å; K523-L527 WeakPolarHBondContact O-CB 3.47Å; K523-L527 PolarHBondContact O-N 2.77Å; V524-L527 PolarHBondContact O-N 2.73Å; V525-L527 VanDerWaalsContact C-N 3.26Å; V525-L527 PolarHBondContact O-N 2.82Å; L527-E529 VanDerWaalsContact C-N 3.34Å; L527-R530 PolarHBondContact O-N 3.09Å; L527-L531 WeakPolarHBondContact O-CB 3.41Å; L527-L531 PolarHBondContact O-N 3.44Å
528	S	83.6	Confident	83.3	Confident	62 Å²	62	103.8 Å²	103.8	43%	0.434	52%	0.517	S	S	.	.	H	α-helix	trans	-66.7	-37.3	174.8	76.9	0	0	0	0	111.4	V524 V525 L531 A532	V524-S528 VanDerWaalsContact O-CB 3.25Å; V524-S528 WeakPolarHBondContact O-CB 3.34Å; V524-S528 PolarHBondContact O-N 2.84Å; V524-S528 PolarHBondContact O-OG 2.76Å; V525-S528 WeakPolarHBondContact CA-OG 3.36Å; V525-S528 WeakPolarHBondContact O-CA 3.33Å; V525-S528 WeakPolarHBondContact O-CB 3.44Å; V525-S528 PolarHBondContact O-N 2.92Å; V525-S528 PolarHBondContact O-OG 3.22Å; S528-L531 PolarHBondContact O-N 3.06Å; S528-A532 WeakPolarHBondContact O-CB 3.47Å; S528-A532 PolarHBondContact O-N 2.61Å
529	E	88.3	Confident	82.6	Confident	125 Å²	125	102.7 Å²	102.7	58%	0.584	52%	0.521	S	S	*	.	H	α-helix	trans	-68.1	-44.2	174	-71.1	177.8	-174.5	0	0	111	V525 D526 L527 L531 A532 F533	V525-E529 WeakPolarHBondContact O-CG 3.44Å; V525-E529 PolarHBondContact O-N 3.28Å; D526-E529 PolarHBondContact O-N 2.83Å; L527-E529 VanDerWaalsContact C-N 3.34Å; E529-L531 PolarHBondContact O-N 2.89Å; E529-A532 PolarHBondContact O-N 2.84Å; E529-F533 WeakPolarHBondContact O-CB 3.2Å; E529-F533 PolarHBondContact O-N 2.8Å
530	R	86.2	Confident	81.3	Confident	186 Å²	186	103.1 Å²	103.1	70%	0.702	53%	0.525	S	S	*	.	H	α-helix	trans	-63.4	-40	174.1	-72.7	176.6	-176.6	-158.4	1.3	112.3	D526 L527 F533 L534	D526-R530 VanDerWaalsContact O-CG 3.3Å; D526-R530 WeakPolarHBondContact O-CG 3.49Å; D526-R530 PolarHBondContact O-N 3.45Å; L527-R530 PolarHBondContact O-N 3.09Å; R530-F533 WeakPolarHBondContact O-CB 3.4Å; R530-F533 PolarHBondContact O-N 3.2Å; R530-L534 WeakPolarHBondContact O-CB 3.46Å; R530-L534 WeakPolarHBondContact O-CG 3.46Å; R530-L534 PolarHBondContact O-N 2.89Å
531	L	87.3	Confident	79.8	Confident	93 Å²	93	103.8 Å²	103.8	49%	0.487	53%	0.525	S	S	.	.	H	α-helix	trans	-71	-38.5	177.7	-160.7	158.4	0	0	0	110.5	L527 S528 E529 F533 L534 T535	L527-L531 WeakPolarHBondContact O-CB 3.41Å; L527-L531 PolarHBondContact O-N 3.44Å; S528-L531 PolarHBondContact O-N 3.06Å; E529-L531 PolarHBondContact O-N 2.89Å; L531-F533 VanDerWaalsContact C-N 3.29Å; L531-F533 PolarHBondContact O-N 2.77Å; L531-L534 PolarHBondContact O-N 2.79Å; L531-T535 HydrophobicContact CD2-CG2 3.6Å; L531-T535 WeakPolarHBondContact O-CB 3.43Å; L531-T535 WeakPolarHBondContact O-CG2 3.47Å; L531-T535 PolarHBondContact O-N 2.86Å; L531-T535 PolarHBondContact O-OG1 3.16Å
532	A	83.8	Confident	78.1	Confident	46 Å²	46	103.1 Å²	103.1	38%	0.38	53%	0.53	S	S	.	.	H	α-helix	trans	-61.4	-39	171.1	0	0	0	0	0	111.6	S528 E529 T535 K536	S528-A532 WeakPolarHBondContact O-CB 3.47Å; S528-A532 PolarHBondContact O-N 2.61Å; E529-A532 PolarHBondContact O-N 2.84Å; A532-T535 VanDerWaalsContact CA-OG1 3.27Å; A532-T535 WeakPolarHBondContact CA-OG1 3.29Å; A532-T535 PolarHBondContact O-OG1 2.58Å; A532-T535 VanDerWaalsContact O-OG1 3.08Å; A532-K536 WeakPolarHBondContact O-CB 3.36Å; A532-K536 WeakPolarHBondContact O-CG 3.32Å; A532-K536 PolarHBondContact O-N 3.22Å; A532-K536 VanDerWaalsContact O-N 3.1Å
533	F	86.5	Confident	76.3	Confident	138 Å²	138	105 Å²	105	61%	0.605	54%	0.538	S	S	*	.	H	α-helix	trans	-65.4	-46.2	173.2	-179.6	-95.6	0	0	0	112	E529 R530 L531 K536 R537	E529-F533 WeakPolarHBondContact O-CB 3.2Å; E529-F533 PolarHBondContact O-N 2.8Å; R530-F533 WeakPolarHBondContact O-CB 3.4Å; R530-F533 PolarHBondContact O-N 3.2Å; L531-F533 VanDerWaalsContact C-N 3.29Å; L531-F533 PolarHBondContact O-N 2.77Å; F533-K536 PolarHBondContact O-N 3.32Å; F533-R537 PolarHBondContact O-N 2.8Å
534	L	84	Confident	74.2	Confident	75 Å²	75	104.4 Å²	104.4	39%	0.393	54%	0.542	S	S	.	.	H	α-helix	trans	-68	-38.9	178.2	-71.9	175.3	0	0	0	113.1	R530 L531 R537 W538	R530-L534 WeakPolarHBondContact O-CB 3.46Å; R530-L534 WeakPolarHBondContact O-CG 3.46Å; R530-L534 PolarHBondContact O-N 2.89Å; L531-L534 PolarHBondContact O-N 2.79Å; L534-R537 CarbonylContact O-C 3.59Å; L534-R537 WeakPolarHBondContact O-CB 3.2Å; L534-R537 PolarHBondContact O-N 3.02Å; L534-R537 VanDerWaalsContact O-N 3.15Å; L534-W538 WeakPolarHBondContact O-CB 3.33Å; L534-W538 PolarHBondContact O-N 2.91Å
535	T	82.6	Confident	71.6	Confident	55 Å²	55	108.1 Å²	108.1	34%	0.337	56%	0.559	S	S	.	*	H	α-helix	trans	-66.9	-37.6	176.6	43.4	0	0	0	0	111.8	L531 A532 R537 S539	L531-T535 HydrophobicContact CD2-CG2 3.6Å; L531-T535 WeakPolarHBondContact O-CB 3.43Å; L531-T535 WeakPolarHBondContact O-CG2 3.47Å; L531-T535 PolarHBondContact O-N 2.86Å; L531-T535 PolarHBondContact O-OG1 3.16Å; A532-T535 VanDerWaalsContact CA-OG1 3.27Å; A532-T535 WeakPolarHBondContact CA-OG1 3.29Å; A532-T535 PolarHBondContact O-OG1 2.58Å; A532-T535 VanDerWaalsContact O-OG1 3.08Å; T535-R537 VanDerWaalsContact C-N 3.33Å; T535-S539 WeakPolarHBondContact O-CB 3.48Å; T535-S539 PolarHBondContact O-N 2.87Å; T535-S539 PolarHBondContact O-OG 3.27Å
536	K	83	Confident	69.2	Low	155 Å²	155	112 Å²	112	67%	0.674	58%	0.582	S	S	*	*	H	α-helix	trans	-59	-45.7	167.9	-79	-179.9	178.9	-176.3	0	111.2	A532 F533 S539 C540	A532-K536 WeakPolarHBondContact O-CB 3.36Å; A532-K536 WeakPolarHBondContact O-CG 3.32Å; A532-K536 PolarHBondContact O-N 3.22Å; A532-K536 VanDerWaalsContact O-N 3.1Å; F533-K536 PolarHBondContact O-N 3.32Å; K536-S539 PolarHBondContact O-N 2.82Å; K536-C540 PolarHBondContact O-N 2.99Å; K536-C540 PolarHBondContact O-SG 2.97Å
537	R	76.4	Confident	66.9	Low	131 Å²	131	114.1 Å²	114.1	49%	0.494	60%	0.599	S	S	.	*	H	α-helix	trans	-65.3	-44	178.8	-168.9	179.7	165.7	139.6	5.2	112.8	F533 L534 T535 S539 C540 E541	F533-R537 PolarHBondContact O-N 2.8Å; L534-R537 CarbonylContact O-C 3.59Å; L534-R537 WeakPolarHBondContact O-CB 3.2Å; L534-R537 PolarHBondContact O-N 3.02Å; L534-R537 VanDerWaalsContact O-N 3.15Å; T535-R537 VanDerWaalsContact C-N 3.33Å; R537-S539 VanDerWaalsContact C-N 3.34Å; R537-S539 PolarHBondContact O-N 3.05Å; R537-C540 CarbonylContact O-C 3.49Å; R537-C540 WeakPolarHBondContact O-CA 3.45Å; R537-C540 WeakPolarHBondContact O-CB 3.23Å; R537-C540 PolarHBondContact O-N 3.06Å; R537-E541 WeakPolarHBondContact CG-OE2 3.43Å; R537-E541 IonicContact CZ-OE2 3.46Å; R537-E541 IonicContact NE-OE2 3.08Å; R537-E541 PolarHBondContact NE-OE2 2.81Å; R537-E541 IonicContact NH2-OE1 3.74Å; R537-E541 PolarHBondContact NH2-OE1 2.86Å; R537-E541 IonicContact NH2-OE2 3.71Å; R537-E541 PolarHBondContact NH2-OE2 2.87Å; R537-E541 WeakPolarHBondContact O-CB 3.49Å; R537-E541 PolarHBondContact O-N 2.92Å
538	W	65.9	Low	64.3	Low	167 Å²	167	115.1 Å²	115.1	63%	0.633	61%	0.609	S	S	*	*	H	α-helix	trans	-68.3	-31.6	177.1	-69	-15.9	0	0	0	113.3	L534 C540 E541 S542	L534-W538 WeakPolarHBondContact O-CB 3.33Å; L534-W538 PolarHBondContact O-N 2.91Å; W538-C540 PolarHBondContact O-N 3.38Å; W538-E541 PolarHBondContact O-N 2.95Å; W538-S542 WeakPolarHBondContact O-CB 3.45Å; W538-S542 PolarHBondContact O-N 3.23Å; W538-S542 PolarHBondContact O-OG 2.86Å
539	S	68.9	Low	61.7	Low	88 Å²	88	118.6 Å²	118.6	62%	0.615	62%	0.623	S	S	*	*	H	α-helix	trans	-66.2	-23.5	170.3	-55	0	0	0	0	111.8	T535 K536 R537	T535-S539 WeakPolarHBondContact O-CB 3.48Å; T535-S539 PolarHBondContact O-N 2.87Å; T535-S539 PolarHBondContact O-OG 3.27Å; K536-S539 PolarHBondContact O-N 2.82Å; R537-S539 VanDerWaalsContact C-N 3.34Å; R537-S539 PolarHBondContact O-N 3.05Å
540	C	56.3	Low	59.1	Low	90 Å²	90	120.2 Å²	120.2	61%	0.608	64%	0.635	S	S	*	*	H	α-helix	trans	-91.1	-32.5	173.7	-67.9	0	0	0	0	113.7	K536 R537 W538 T543	K536-C540 PolarHBondContact O-N 2.99Å; K536-C540 PolarHBondContact O-SG 2.97Å; R537-C540 CarbonylContact O-C 3.49Å; R537-C540 WeakPolarHBondContact O-CA 3.45Å; R537-C540 WeakPolarHBondContact O-CB 3.23Å; R537-C540 PolarHBondContact O-N 3.06Å; W538-C540 PolarHBondContact O-N 3.38Å; C540-T543 PolarHBondContact O-OG1 3.07Å; C540-T543 VanDerWaalsContact O-OG1 3.12Å
541	E	49.9	Very low	56.4	Low	110 Å²	110	116.3 Å²	116.3	51%	0.514	64%	0.637	S	S	.	*	H	α-helix	trans	-87.3	-12.8	-173.5	-146.7	140.2	-165.8	0	0	112.4	R537 W538 T543	R537-E541 WeakPolarHBondContact CG-OE2 3.43Å; R537-E541 IonicContact CZ-OE2 3.46Å; R537-E541 IonicContact NE-OE2 3.08Å; R537-E541 PolarHBondContact NE-OE2 2.81Å; R537-E541 IonicContact NH2-OE1 3.74Å; R537-E541 PolarHBondContact NH2-OE1 2.86Å; R537-E541 IonicContact NH2-OE2 3.71Å; R537-E541 PolarHBondContact NH2-OE2 2.87Å; R537-E541 WeakPolarHBondContact O-CB 3.49Å; R537-E541 PolarHBondContact O-N 2.92Å; W538-E541 PolarHBondContact O-N 2.95Å; E541-T543 PolarHBondContact O-N 3.08Å
542	S	44.1	Very low	53.8	Low	97 Å²	97	121.2 Å²	121.2	68%	0.678	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	4	173.8	45.8	0	0	0	0	114.4	W538	W538-S542 WeakPolarHBondContact O-CB 3.45Å; W538-S542 PolarHBondContact O-N 3.23Å; W538-S542 PolarHBondContact O-OG 2.86Å
543	T	46.6	Very low	50.9	Low	105 Å²	105	123.6 Å²	123.6	64%	0.644	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-6	176.6	58.9	0	0	0	0	115.3	C540 E541	C540-T543 PolarHBondContact O-OG1 3.07Å; C540-T543 VanDerWaalsContact O-OG1 3.12Å; E541-T543 PolarHBondContact O-N 3.08Å
544	D	41	Very low	48.1	Very low	131 Å²	131	120.9 Å²	120.9	70%	0.701	68%	0.679	S	S	*	*			trans	-121.4	67.1	-171.2	-71.4	-0.9	0	0	0	112.1
545	D	29.6	Very low	45.4	Very low	164 Å²	164	125.6 Å²	125.6	88%	0.877	70%	0.699	S	S	*	*			trans	-143.9	82.1	157.8	-102.7	-24.4	0	0	0	107.7
546	V	36.8	Very low	42.6	Very low	138 Å²	138	130 Å²	130	84%	0.836	72%	0.72	S	S	*	*	S	Bend	trans	175.7	134	147	162	0	0	0	0	108.1
547	T	36.6	Very low	39.9	Very low	132 Å²	132	130.3 Å²	130.3	81%	0.81	73%	0.729	S	S	*	*			trans	86.4	79.7	178.9	76.3	0	0	0	0	119.3
548	V	33.8	Very low	37.5	Very low	129 Å²	129	127.4 Å²	127.4	78%	0.782	74%	0.741	S	S	*	*				-8.1	135.8	128.8	176.1	0	0	0	0	116.7
549	N	29.2	Very low	35.6	Very low	136 Å²	136	125.1 Å²	125.1	73%	0.727	75%	0.75	S	S	*	*			trans	86.9	92	163.4	-64.9	-15	0	0	0	119
550	N	31.8	Very low	33.6	Very low	158 Å²	158	128.2 Å²	128.2	85%	0.845	76%	0.759	S	S	*	*				-170	120.5	97.4	-93	-18.3	0	0	0	111.6	H552	N550-H552 PolarHBondContact O-N 2.78Å
551	S	30.1	Very low	32	Very low	105 Å²	105	132.8 Å²	132.8	73%	0.734	77%	0.772	S	S	*	*			trans	-64.2	117.1	164.8	49.3	0	0	0	0	110.8
552	H	32.6	Very low	30.9	Very low	195 Å²	195	136.1 Å²	136.1	90%	0.903	79%	0.788	S	S	*	*			trans	-152.6	89.5	138.1	-96.9	-69.3	0	0	0	108.7	N550	N550-H552 PolarHBondContact O-N 2.78Å
553	A	23.3	Very low	29.9	Very low	97 Å²	97	141 Å²	141	80%	0.802	80%	0.799	S	S	*	*			trans	-79.7	130.1	155.4	0	0	0	0	0	108.4
554	A	27	Very low	28.9	Very low	80 Å²	80	139.9 Å²	139.9	66%	0.661	81%	0.809	S	S	*	*			trans	155.2	106.5	153.7	0	0	0	0	0	107.3
555	E	27.3	Very low	27.9	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	82%	0.817	S	S	*	*				118.1	107.1	92.5	-88.1	176	-178.3	0	0	106.3
556	L	25.1	Very low	27.7	Very low	148 Å²	148	136.6 Å²	136.6	78%	0.775	81%	0.809	S	S	*	*				67.7	125.9	96.1	-78.3	175.2	0	0	0	114.9
557	N	26	Very low	27	Very low	161 Å²	161	135 Å²	135	86%	0.861	81%	0.805	S	S	*	*			trans	90.7	129.4	156.2	-57.6	-23.8	0	0	0	118.7
558	G	26.1	Very low	26.7	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	81%	0.808	S	S	*	*			trans	140.1	72.2	153.8	0	0	0	0	0	114.2	N560	G558-N560 PolarHBondContact O-N 3.37Å
559	S	25.6	Very low	26.1	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	81%	0.814	S	S	*	*			trans	-40.4	124.2	155.4	46.1	0	0	0	0	111.9
560	N	26.9	Very low	26.2	Very low	152 Å²	152	138.4 Å²	138.4	81%	0.813	82%	0.816	S	S	*	*			trans	-135	111.6	154.5	-137.1	20.5	0	0	0	108.8	G558	G558-N560 PolarHBondContact O-N 3.37Å
561	E	23	Very low	25.8	Very low	186 Å²	186	139.6 Å²	139.6	87%	0.869	82%	0.816	S	S	*	*			trans	-62.4	127.8	164.9	-63.6	170.4	157.8	0	0	108.1
562	Q	26.6	Very low	25.4	Very low	181 Å²	181	141 Å²	141	85%	0.846	82%	0.815	S	S	*	*			trans	-146.6	103.7	156.6	-132.1	162.6	-1.8	0	0	108.8
563	E	22.7	Very low	25	Very low	198 Å²	198	137.1 Å²	137.1	93%	0.925	81%	0.81	S	S	*	*			trans	-59.7	132.7	161.9	-64.9	-158.6	154.3	0	0	109.7
564	G	25	Very low	25.1	Very low	82 Å²	82	142 Å²	142	85%	0.845	81%	0.814	S	S	*	*			trans	-139	97.8	169	0	0	0	0	0	107.8
565	S	21	Very low	24.9	Very low	125 Å²	125	146.7 Å²	146.7	87%	0.874	82%	0.822	S	S	*	*			trans	-89.5	125.8	168.6	172.3	0	0	0	0	109.3
566	S	24.7	Very low	24.8	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	82%	0.823	S	S	*	*			trans	175.8	103.8	149.6	62.4	0	0	0	0	107.7
567	S	23	Very low	24.7	Very low	106 Å²	106	149 Å²	149	74%	0.741	83%	0.826	S	S	*	*				66.5	101.3	103.7	71	0	0	0	0	114.3
568	D	29.9	Very low	24.6	Very low	166 Å²	166	148.2 Å²	148.2	89%	0.888	82%	0.817	S	S	*	*			trans	-132.7	113.3	146.7	-95.4	-27.3	0	0	0	107.6
569	E	21.2	Very low	24.6	Very low	193 Å²	193	150.6 Å²	150.6	90%	0.902	82%	0.82	S	S	*	*			trans	-80.3	136.5	162	-68.1	-169.9	161.6	0	0	108.5
570	S	30.4	Very low	24.5	Very low	109 Å²	109	151.3 Å²	151.3	76%	0.762	82%	0.82	S	S	*	*			trans	-161.4	106.4	151.9	18.5	0	0	0	0	111
571	E	24.9	Very low	24.4	Very low	182 Å²	182	149.9 Å²	149.9	85%	0.85	82%	0.82	S	S	*	*			trans	49.1	108.2	132.6	-60	-174.3	170.8	0	0	120.9
572	D	20.2	Very low	24.6	Very low	134 Å²	134	146.1 Å²	146.1	72%	0.717	81%	0.814	S	S	*	*				34.3	106	121	-74.2	-28	0	0	0	119.1
573	S	26	Very low	24.7	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	81%	0.814	S	S	*	*			trans	-151.1	97	137.2	-13	0	0	0	0	109	E575	S573-E575 VanDerWaalsContact C-N 3.34Å; S573-E575 PolarHBondContact O-N 3.4Å
574	F	23.8	Very low	25.3	Very low	200 Å²	200	140.8 Å²	140.8	88%	0.877	80%	0.799	S	S	*	*			trans	-76.3	82.7	172.9	-79.2	-91.9	0	0	0	109.8
575	E	24.5	Very low	25.6	Very low	179 Å²	179	144.2 Å²	144.2	84%	0.836	80%	0.797	S	S	*	*			trans	-85.6	129	161.4	-83.2	-170.6	161.3	0	0	110.3	S573 E577	S573-E575 VanDerWaalsContact C-N 3.34Å; S573-E575 PolarHBondContact O-N 3.4Å; E575-E577 VanDerWaalsContact C-N 3.32Å; E575-E577 PolarHBondContact O-N 2.84Å
576	F	23.7	Very low	26	Very low	188 Å²	188	149.1 Å²	149.1	83%	0.825	80%	0.797	S	S	*	*			trans	-71.8	80.7	-176.7	-164.5	-93.8	0	0	0	109.9	Q578	F576-Q578 HydrophobicContact CD1-CG 3.94Å; F576-Q578 HydrophobicContact CE1-CG 3.64Å; F576-Q578 PolarHBondContact O-N 2.79Å; F576-Q578 VanDerWaalsContact O-N 3.07Å
577	E	24	Very low	26.4	Very low	182 Å²	182	150.2 Å²	150.2	85%	0.85	80%	0.799	S	S	*	*			trans	-73.8	96.9	164.8	-72.4	-162.5	160.3	0	0	108.7	E575	E575-E577 VanDerWaalsContact C-N 3.32Å; E575-E577 PolarHBondContact O-N 2.84Å
578	Q	23.9	Very low	26.8	Very low	145 Å²	145	153.7 Å²	153.7	68%	0.678	80%	0.801	S	S	*	*			trans	-51.5	127.3	159.1	-80.9	-174.3	-22.1	0	0	107.9	F576 T580	F576-Q578 HydrophobicContact CD1-CG 3.94Å; F576-Q578 HydrophobicContact CE1-CG 3.64Å; F576-Q578 PolarHBondContact O-N 2.79Å; F576-Q578 VanDerWaalsContact O-N 3.07Å; Q578-T580 VanDerWaalsContact C-N 3.34Å; Q578-T580 PolarHBondContact O-N 3.15Å
579	P	25.1	Very low	26.7	Very low	120 Å²	120	151.7 Å²	151.7	78%	0.779	79%	0.789	S	S	*	*			trans	-69	98.7	-178.1	27.8	-31.6	0	0	0	107.3	C581	P579-C581 VanDerWaalsContact C-N 3.32Å; P579-C581 PolarHBondContact O-N 2.89Å
580	T	24.9	Very low	27.2	Very low	135 Å²	135	147 Å²	147	83%	0.828	78%	0.777	S	S	*	*			trans	-59.4	102.5	165.2	49.7	0	0	0	0	106.4	Q578 S582	Q578-T580 VanDerWaalsContact C-N 3.34Å; Q578-T580 PolarHBondContact O-N 3.15Å; T580-S582 PolarHBondContact O-N 3.44Å
581	C	23.3	Very low	27.3	Very low	121 Å²	121	147.4 Å²	147.4	82%	0.818	78%	0.777	S	S	*	*	S	Bend	trans	-49.7	133.5	171.8	-68.7	0	0	0	0	109.8	P579	P579-C581 VanDerWaalsContact C-N 3.32Å; P579-C581 PolarHBondContact O-N 2.89Å
582	S	27.1	Very low	27.6	Very low	108 Å²	108	146.5 Å²	146.5	76%	0.755	78%	0.777	S	S	*	*			trans	94.2	78.2	165.8	85.7	0	0	0	0	118.3	T580	T580-S582 PolarHBondContact O-N 3.44Å
583	E	29.3	Very low	28.1	Very low	180 Å²	180	145 Å²	145	84%	0.841	78%	0.775	S	S	*	*	S	Bend	trans	-156.6	110.5	145.3	-87.7	-57	149.4	0	0	106.7
584	S	35.5	Very low	28.3	Very low	87 Å²	87	147.6 Å²	147.6	61%	0.608	78%	0.779	S	S	*	*	S	Bend	trans	152	-3.2	158.8	56.4	0	0	0	0	116.1
585	L	31.1	Very low	28.6	Very low	154 Å²	154	149.2 Å²	149.2	81%	0.806	78%	0.78	S	S	*	*	S	Bend	trans	-78.3	-18.5	175.4	-101.3	161.4	0	0	0	114
586	W	29.1	Very low	28.8	Very low	228 Å²	228	150 Å²	150	86%	0.864	78%	0.783	S	S	*	*	S	Bend	trans	-92.1	-15.3	-178.4	-65.9	101.8	0	0	0	114.6	I589	W586-I589 HydrophobicContact CE3-CD1 4.25Å; W586-I589 HydrophobicContact CZ3-CD1 4.37Å
587	T	34.1	Very low	29.3	Very low	123 Å²	123	153.1 Å²	153.1	76%	0.755	79%	0.79	S	S	*	*	S	Bend	trans	-88.2	-4.1	178.5	45.3	0	0	0	0	113.8
588	K	30.4	Very low	29.6	Very low	180 Å²	180	148.1 Å²	148.1	78%	0.783	79%	0.786	S	S	*	*			trans	-111.6	11.8	-178.6	-84.6	-175.1	179	177	0	115.9	S590	K588-S590 PolarHBondContact O-N 3.17Å
589	I	27.8	Very low	29.9	Very low	124 Å²	124	150 Å²	150	64%	0.636	79%	0.792	S	S	*	*			trans	-81.6	68.7	163.9	-52.3	168.9	0	0	0	107.6	W586	W586-I589 HydrophobicContact CE3-CD1 4.25Å; W586-I589 HydrophobicContact CZ3-CD1 4.37Å
590	S	31.7	Very low	30.1	Very low	93 Å²	93	153.4 Å²	153.4	65%	0.65	80%	0.798	S	S	*	*			trans	-60.7	127	155.6	48.1	0	0	0	0	106.8	K588 L592	K588-S590 PolarHBondContact O-N 3.17Å; S590-L592 PolarHBondContact O-N 2.64Å
591	P	32.4	Very low	30.5	Very low	119 Å²	119	158.2 Å²	158.2	77%	0.773	80%	0.801	S	S	*	*			trans	-55.2	133.8	178.8	21.8	-30.7	0	0	0	109.3
592	L	31	Very low	30.9	Very low	162 Å²	162	160.9 Å²	160.9	85%	0.848	80%	0.801	S	S	*	*			trans	-44.7	133.6	-178.3	-75.8	154.5	0	0	0	111	S590 L594	S590-L592 PolarHBondContact O-N 2.64Å; L592-L594 PolarHBondContact O-N 3.09Å
593	P	30.5	Very low	31	Very low	103 Å²	103	162.5 Å²	162.5	67%	0.669	80%	0.802	S	S	*	*			trans	-55.4	127.9	-175.5	-24.9	32.8	0	0	0	112.7	W595	P593-W595 PolarHBondContact O-N 3.17Å
594	L	31.6	Very low	31.1	Very low	168 Å²	168	158.5 Å²	158.5	88%	0.88	80%	0.799	S	S	*	*			trans	-77.3	56.4	-176.1	-157.9	94	0	0	0	112.2	L592	L592-L594 PolarHBondContact O-N 3.09Å
595	W	28.9	Very low	30.8	Very low	235 Å²	235	165.1 Å²	165.1	89%	0.89	81%	0.811	S	S	*	*			trans	-122	58.9	173.3	-58.7	-28.6	0	0	0	112.2	P593	P593-W595 PolarHBondContact O-N 3.17Å
596	E	30.3	Very low	30.6	Very low	196 Å²	196	164.9 Å²	164.9	92%	0.916	81%	0.81	S	S	*	*	S	Bend	trans	-154.7	62.7	159.3	-119.5	175.6	-157.8	0	0	110.1
597	R	32.6	Very low	30.8	Very low	253 Å²	253	163 Å²	163	96%	0.955	81%	0.811	S	S	*	*	S	Bend	trans	-146.7	19.8	161.2	-142.6	178	-120.7	-139.3	-1	114.3
598	G	31.5	Very low	30.7	Very low	76 Å²	76	162.6 Å²	162.6	78%	0.784	81%	0.813	S	S	*	*	S	Bend	trans	-115.9	-6.3	-173.3	0	0	0	0	0	116.7
599	K	30.4	Very low	30.6	Very low	185 Å²	185	157.5 Å²	157.5	80%	0.804	81%	0.811	S	S	*	*	S	Bend	trans	-116	7.1	-174.7	-82.4	-164.8	173.3	-172.9	0	116.7	R601	K599-R601 VanDerWaalsContact C-N 3.32Å; K599-R601 PolarHBondContact O-N 3.36Å
600	E	29.4	Very low	30.9	Very low	191 Å²	191	158.9 Å²	158.9	89%	0.893	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	22	173.5	-73.4	-170.3	152.5	0	0	114.4
601	R	32.6	Very low	30.9	Very low	236 Å²	236	160.2 Å²	160.2	89%	0.891	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	2.3	178.6	-84.5	-167.6	175.5	-171.4	-1	118.1	K599	K599-R601 VanDerWaalsContact C-N 3.32Å; K599-R601 PolarHBondContact O-N 3.36Å
602	E	30.9	Very low	30.9	Very low	178 Å²	178	161 Å²	161	83%	0.832	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-18.1	175.1	-69.7	-166.9	153.4	0	0	115.7
603	D	29.2	Very low	31	Very low	142 Å²	142	163.5 Å²	163.5	76%	0.759	81%	0.814	S	S	*	*	S	Bend	trans	-91.5	2.7	179.3	-63.2	-31.6	0	0	0	114.2	R605	D603-R605 PolarHBondContact O-N 3.04Å
604	A	32.6	Very low	31.3	Very low	95 Å²	95	162.6 Å²	162.6	79%	0.785	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	16.8	176.9	0	0	0	0	0	114.6
605	R	28.5	Very low	31.5	Very low	226 Å²	226	160 Å²	160	85%	0.853	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	-11.4	-179.8	-87.8	-171.5	177.1	-176.9	0.4	117	D603	D603-R605 PolarHBondContact O-N 3.04Å
606	N	27	Very low	31.7	Very low	149 Å²	149	155.1 Å²	155.1	80%	0.797	80%	0.796	S	S	*	*	S	Bend	trans	-139.6	78.4	-179.2	-72	-26.4	0	0	0	110.9
607	E	32.7	Very low	31.8	Very low	190 Å²	190	150.3 Å²	150.3	89%	0.888	79%	0.785	S	S	*	*			trans	-161.7	108.2	140.4	-108.7	169.7	-153.1	0	0	107.6	G609	E607-G609 PolarHBondContact O-N 2.92Å
608	S	32.5	Very low	31.6	Very low	114 Å²	114	146.5 Å²	146.5	80%	0.797	78%	0.778	S	S	*	*			trans	-46.7	107.5	168	46.7	0	0	0	0	109.3	I610	S608-I610 PolarHBondContact O-N 2.95Å
609	G	29.3	Very low	31.4	Very low	72 Å²	72	154.9 Å²	154.9	74%	0.742	79%	0.786	S	S	*	*			trans	-53.5	111.9	173.2	0	0	0	0	0	109.7	E607 D611	E607-G609 PolarHBondContact O-N 2.92Å; G609-D611 PolarHBondContact O-N 3.09Å
610	I	32.6	Very low	31	Very low	154 Å²	154	157.2 Å²	157.2	79%	0.79	79%	0.79	S	S	*	*			trans	-69.3	93.1	160.4	-63.3	171.5	0	0	0	104.9	S608 L612	S608-I610 PolarHBondContact O-N 2.95Å; I610-L612 PolarHBondContact O-N 3.06Å
611	D	31.8	Very low	30.9	Very low	120 Å²	120	155.4 Å²	155.4	64%	0.642	79%	0.791	S	S	*	*			trans	-70.2	94.7	-177	-139.1	-9.4	0	0	0	108.6	G609 R613 S614	G609-D611 PolarHBondContact O-N 3.09Å; D611-R613 PolarHBondContact O-N 3.15Å; D611-S614 PolarHBondContact O-N 3.47Å; D611-S614 VanDerWaalsContact O-N 3.13Å; D611-S614 PolarHBondContact O-OG 3.47Å
612	L	33	Very low	30.6	Very low	137 Å²	137	148 Å²	148	72%	0.717	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	4.2	178.9	-79.6	164	0	0	0	113.6	I610	I610-L612 PolarHBondContact O-N 3.06Å
613	R	34.2	Very low	30.2	Very low	213 Å²	213	147.5 Å²	147.5	80%	0.804	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-12.6	169.1	-76.7	-176.4	173.8	176.1	0.1	114.1	D611 V615	D611-R613 PolarHBondContact O-N 3.15Å; R613-V615 VanDerWaalsContact C-N 3.3Å; R613-V615 PolarHBondContact O-N 3.13Å
614	S	35	Very low	30	Very low	84 Å²	84	146.6 Å²	146.6	59%	0.587	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-76.8	-13.2	175.7	58	0	0	0	0	114.1	D611 V616	D611-S614 PolarHBondContact O-N 3.47Å; D611-S614 VanDerWaalsContact O-N 3.13Å; D611-S614 PolarHBondContact O-OG 3.47Å; S614-V616 VanDerWaalsContact C-N 3.32Å; S614-V616 PolarHBondContact O-N 3.02Å
615	V	36	Very low	29.6	Very low	115 Å²	115	149.4 Å²	149.4	70%	0.697	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-80.8	-10.5	178.7	-178.6	0	0	0	0	112.7	R613	R613-V615 VanDerWaalsContact C-N 3.3Å; R613-V615 PolarHBondContact O-N 3.13Å
616	V	34	Very low	29.3	Very low	131 Å²	131	141.8 Å²	141.8	79%	0.794	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-108.6	2.7	-173.8	-174.9	0	0	0	0	113.8	S614	S614-V616 VanDerWaalsContact C-N 3.32Å; S614-V616 PolarHBondContact O-N 3.02Å
617	S	31.1	Very low	29.2	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	79%	0.788	S	S	*	*	S	Bend	trans	-112.9	5.4	-179.4	56.5	0	0	0	0	116.8
618	E	28.5	Very low	29.1	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	78%	0.781	S	S	*	*	S	Bend	trans	-113.6	72.5	173.8	-72.3	-170.3	168.5	0	0	111.6
619	R	27.9	Very low	28.7	Very low	251 Å²	251	138.6 Å²	138.6	95%	0.947	78%	0.775	S	S	*	*			trans	-168.6	54.9	158.7	-105.5	164	-159.4	-156.8	6.8	111.3
620	R	22.7	Very low	28.4	Very low	235 Å²	235	142 Å²	142	89%	0.887	78%	0.775	S	S	*	*	S	Bend	trans	-143	97.9	159	-95.8	-174.5	174.3	168.4	-1.1	107.7
621	T	26.7	Very low	28.2	Very low	152 Å²	152	143 Å²	143	93%	0.933	78%	0.782	S	S	*	*			trans	154.4	99.8	141.9	49.5	0	0	0	0	108.4
622	G	27	Very low	27.9	Very low	81 Å²	81	145.5 Å²	145.5	84%	0.835	79%	0.787	S	S	*	*			trans	-167.7	37.5	175.4	0	0	0	0	0	111.3
623	L	21.6	Very low	27.6	Very low	167 Å²	167	151 Å²	151	87%	0.874	80%	0.798	S	S	*	*			trans	-88.6	116.8	155.6	-87.8	126.6	0	0	0	105.8
624	T	24.5	Very low	27.1	Very low	123 Å²	123	145.4 Å²	145.4	76%	0.755	79%	0.792	S	S	*	*			trans	168.8	135.5	134.3	35.2	0	0	0	0	110.8
625	N	26	Very low	26.5	Very low	155 Å²	155	149.3 Å²	149.3	83%	0.829	80%	0.799	S	S	*	*			trans	73.1	118.6	159	-52.4	-17.8	0	0	0	115.1
626	G	22.2	Very low	26.2	Very low	66 Å²	66	151 Å²	151	68%	0.68	80%	0.804	S	S	*	*			cis	100.2	121.7	40.2	0	0	0	0	0	108.6
627	H	23.7	Very low	25.7	Very low	187 Å²	187	152.2 Å²	152.2	87%	0.866	80%	0.801	S	S	*	*			trans	72.6	101.3	168.4	-73.5	-68.2	0	0	0	120
628	A	30	Very low	25.6	Very low	91 Å²	91	153.3 Å²	153.3	75%	0.752	80%	0.804	S	S	*	*			trans	-156.6	85.3	133.3	0	0	0	0	0	107.2
629	T	24.8	Very low	25.3	Very low	108 Å²	108	151 Å²	151	66%	0.663	80%	0.801	S	S	*	*				56.6	106	98.7	59.2	0	0	0	0	114.7
630	L	22.9	Very low	25.2	Very low	143 Å²	143	144.3 Å²	144.3	75%	0.749	79%	0.793	S	S	*	*			trans	57.6	96.8	134.6	-70.9	150.8	0	0	0	116.6
631	D	28.4	Very low	25.4	Very low	175 Å²	175	137.5 Å²	137.5	94%	0.936	78%	0.782	S	S	*	*			trans	-117.9	119.1	134.7	-103.4	-29.7	0	0	0	110.6
632	K	25.5	Very low	25.5	Very low	172 Å²	172	138 Å²	138	75%	0.748	77%	0.774	S	S	*	*			trans	-73.2	130.3	178.1	-68.4	168.2	171.1	175.7	0	108.5
633	R	26.1	Very low	25.5	Very low	252 Å²	252	140.9 Å²	140.9	95%	0.951	77%	0.77	S	S	*	*				-164.6	96.3	129.9	-104.2	166.3	-168.3	-164.8	3.4	108.9
634	S	24.2	Very low	25.8	Very low	97 Å²	97	141 Å²	141	68%	0.678	77%	0.766	S	S	*	*			trans	-72.4	143.4	169.9	44.4	0	0	0	0	111.8
635	F	23.5	Very low	25.9	Very low	166 Å²	166	139.4 Å²	139.4	73%	0.728	76%	0.76	S	S	*	*			trans	69.6	115.9	135.9	-86	-99.8	0	0	0	120.1
636	D	29.1	Very low	25.9	Very low	151 Å²	151	138 Å²	138	81%	0.807	76%	0.757	S	S	*	*				171.4	97.3	117.5	-80	-15.5	0	0	0	105.6
637	E	24.1	Very low	26.1	Very low	156 Å²	156	140.2 Å²	140.2	73%	0.729	76%	0.762	S	S	*	*				46.7	132.3	76.1	-99.3	-170.1	-172.9	0	0	116.7
638	T	28.3	Very low	26.5	Very low	119 Å²	119	140.7 Å²	140.7	73%	0.73	79%	0.786	S	S	*	*			trans	82.9	101.1	167.7	67	0	0	0	0	117.1
639	T	23.2	Very low	26.4	Very low	123 Å²	123	143.2 Å²	143.2	76%	0.755	79%	0.788	S	S	*	*				65.8	129.8	82.1	60.3	0	0	0	0	115.6
640	S	25.6	Very low	26.5	Very low	111 Å²	111	145 Å²	145	78%	0.776	79%	0.794	S	S	*	*			trans	66.5	143.2	163.2	65.7	0	0	0	0	115.5
641	S	26.7	Very low	26.6	Very low	92 Å²	92	145.1 Å²	145.1	64%	0.643	80%	0.797	S	S	*	*			cis	-179	152.9	-0.1	36.1	0	0	0	0	104.9
642	E	27.6	Very low	26.5	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.762	79%	0.789	S	S	*	*			trans	63.9	112.6	145.2	-69.1	171.9	-179.9	0	0	120.3
643	D	27.2	Very low	26.6	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	79%	0.791	S	S	*	*				66.7	134.5	114.7	-63.3	-19.3	0	0	0	122.5
644	E	28.6	Very low	26.6	Very low	171 Å²	171	134.2 Å²	134.2	80%	0.799	78%	0.781	S	S	*	*			trans	60.8	108.2	144.1	-69.6	-172	169.7	0	0	118.2
645	S	26.7	Very low	26.8	Very low	88 Å²	88	136.9 Å²	136.9	62%	0.615	79%	0.788	S	S	*	*				70.3	127.2	78.6	92.5	0	0	0	0	115.3
646	T	26.5	Very low	27.1	Very low	127 Å²	127	134.6 Å²	134.6	78%	0.779	79%	0.793	S	S	*	*			trans	88.4	132.4	152.4	67.4	0	0	0	0	121.7
647	S	25.3	Very low	26.9	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	79%	0.791	S	S	*	*			trans	66.1	104.2	151.3	65.6	0	0	0	0	119.6
648	S	33.1	Very low	27.2	Very low	196 Å²	196	131.2 Å²	131.2	100%	1.371	80%	0.797	S	S	*	*				-173.2	0	96.1	61.6	0	0	0	0	109.9

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