A0A096MNV2_PAPAN Loading...

Synaptotagmin-like protein 4

Modulates exocytosis of dense-core granules and secretion of hormones in the pancreas and the pituitary. Interacts with vesicles containing negatively charged phospholipids in a Ca(2+)-independent manner.

AlphaFold DB (A0A2K5MV24), UniProt , Accession A0A096MNV2, Species PAPAN (Papio anubis, Olive baboon), Gene SYTL4, Length 670 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	34.5	Very low	68.3	Low	242 Å²	242	100 Å²	100	100%	1.192	53%	0.53	S	S	*	.				0	150.1	0	-72.5	164.3	-86.8	0	0	107.7
2	S	45.7	Very low	69.3	Low	81 Å²	81	102.3 Å²	102.3	57%	0.566	54%	0.535	S	S	*	.			trans	-92.1	129	176	49.3	0	0	0	0	110.1	L4	S2-L4 PolarHBondContact O-N 3.2Å
3	E	58.5	Low	70.6	Confident	181 Å²	181	105.3 Å²	105.3	85%	0.846	55%	0.545	S	S	*	.			trans	-64.3	102.2	169.3	-65.4	176.8	152.8	0	0	109.1
4	L	68.1	Low	71.6	Confident	64 Å²	64	104.5 Å²	104.5	34%	0.335	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-83.8	139.8	161.2	-65.2	168.4	0	0	0	106.7	S2 M138 H142	S2-L4 PolarHBondContact O-N 3.2Å; L4-M138 HydrophobicContact CD2-CB 3.91Å; L4-M138 HydrophobicContact CD2-CE 4.43Å; L4-H142 HydrophobicContact CD1-CB 3.98Å
5	L	74.3	Confident	72.3	Confident	94 Å²	94	100 Å²	100	49%	0.492	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-71.2	133.8	171.6	-61.4	172.2	0	0	0	107.7	L7 I136 S139	L5-L7 HydrophobicContact CB-CD2 4.26Å; L5-L7 HydrophobicContact CB-CG 4.15Å; L5-L7 PolarHBondContact O-N 2.68Å; L5-I136 HydrophobicContact CD1-CG1 4.12Å; L5-S139 PolarHBondContact N-OG 3.07Å; L5-S139 WeakPolarHBondContact O-CB 3.36Å
6	D	72.8	Confident	72.9	Confident	111 Å²	111	100.8 Å²	100.8	59%	0.594	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-67.6	123.3	164.2	-172.5	3.3	0	0	0	108.2	S8 F9	D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.32Å; D6-S8 PolarHBondContact OD1-OG 2.77Å; D6-S8 PolarHBondContact OD2-OG 2.67Å; D6-F9 VanDerWaalsContact O-CE1 3.31Å; D6-F9 WeakPolarHBondContact O-CE1 3.41Å
7	L	75.6	Confident	73.8	Confident	28 Å²	28	101.7 Å²	101.7	15%	0.147	52%	0.523	C	S	.	.			trans	-129.1	18.1	179.3	-62.7	179.1	0	0	0	110.6	L5 F9 L10 I136 L140	L5-L7 HydrophobicContact CB-CD2 4.26Å; L5-L7 HydrophobicContact CB-CG 4.15Å; L5-L7 PolarHBondContact O-N 2.68Å; L7-F9 HydrophobicContact CD2-CE1 4.4Å; L7-F9 HydrophobicContact CD2-CZ 4.47Å; L7-F9 PolarHBondContact O-N 3.28Å; L7-L10 HydrophobicContact CB-CD1 4.16Å; L7-L10 HydrophobicContact CD2-CD1 4.05Å; L7-L10 PolarHBondContact O-N 2.86Å; L7-I136 HydrophobicContact CD1-CG2 4.12Å; L7-L140 HydrophobicContact CB-CD2 4.28Å; L7-L140 HydrophobicContact CD1-CD2 3.65Å; L7-L140 HydrophobicContact CD1-CG 3.73Å
8	S	73.1	Confident	74.5	Confident	81 Å²	81	98.8 Å²	98.8	57%	0.566	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-28	177.7	60.4	0	0	0	0	113	D6 L10	D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.32Å; D6-S8 PolarHBondContact OD1-OG 2.77Å; D6-S8 PolarHBondContact OD2-OG 2.67Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 2.91Å
9	F	80.6	Confident	74.9	Confident	152 Å²	152	97.1 Å²	97.1	67%	0.667	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.8	-179.5	69.1	-97	0	0	0	114.8	D6 L7	D6-F9 VanDerWaalsContact O-CE1 3.31Å; D6-F9 WeakPolarHBondContact O-CE1 3.41Å; L7-F9 HydrophobicContact CD2-CE1 4.4Å; L7-F9 HydrophobicContact CD2-CZ 4.47Å; L7-F9 PolarHBondContact O-N 3.28Å
10	L	81.3	Confident	75.4	Confident	22 Å²	22	94.5 Å²	94.5	12%	0.115	49%	0.49	C	S	.	.	S	Bend	trans	-76.6	146.7	-180	-67.3	174.5	0	0	0	111.1	L7 S8 E14 K15 I18	L7-L10 HydrophobicContact CB-CD1 4.16Å; L7-L10 HydrophobicContact CD2-CD1 4.05Å; L7-L10 PolarHBondContact O-N 2.86Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 2.91Å; L10-E14 WeakPolarHBondContact CA-OE2 3.44Å; L10-E14 HydrophobicContact CB-CB 4.31Å; L10-E14 HydrophobicContact CD2-CB 4.18Å; L10-K15 HydrophobicContact CB-CD 4.45Å; L10-K15 HydrophobicContact CB-CG 3.93Å; L10-K15 HydrophobicContact CD1-CG 4.28Å; L10-K15 WeakPolarHBondContact O-CE 3.38Å; L10-K15 PolarHBondContact O-NZ 2.81Å; L10-I18 HydrophobicContact CD1-CD1 3.64Å; L10-I18 HydrophobicContact CD2-CD1 4.44Å
11	S	87.1	Confident	76.1	Confident	44 Å²	44	93.7 Å²	93.7	31%	0.308	49%	0.49	S	S	.	.			trans	-70.7	164.8	167.1	97.7	0	0	0	0	111.4	E13 E14 K15	S11-E13 VanDerWaalsContact C-N 3.31Å; S11-E13 WeakPolarHBondContact CB-OE2 3.44Å; S11-E13 PolarHBondContact OG-N 2.89Å; S11-E13 PolarHBondContact OG-OE2 3.19Å; S11-E14 PolarHBondContact N-OE2 2.8Å; S11-E14 PolarHBondContact O-N 2.89Å; S11-E14 PolarHBondContact OG-N 3.36Å; S11-E14 VanDerWaalsContact OG-N 3.12Å; S11-K15 WeakPolarHBondContact O-CD 3.34Å; S11-K15 VanDerWaalsContact O-CG 3.23Å; S11-K15 WeakPolarHBondContact O-CG 3.46Å; S11-K15 PolarHBondContact O-N 3.08Å
12	E	80.1	Confident	78.4	Confident	127 Å²	127	82.7 Å²	82.7	59%	0.593	44%	0.436	S	S	*	.	H	α-helix	trans	-67.7	-35	176	-61.5	-61	105.8	0	0	111	E14 K15 D16	E12-E14 PolarHBondContact O-N 3.47Å; E12-K15 PolarHBondContact O-N 2.95Å; E12-K15 WeakPolarHBondContact OE1-CD 3.13Å; E12-K15 IonicContact OE1-NZ 3.59Å; E12-K15 PolarHBondContact OE1-NZ 3.38Å; E12-D16 PolarHBondContact O-N 3.11Å
13	E	85.8	Confident	80.2	Confident	142 Å²	142	84.5 Å²	84.5	66%	0.664	44%	0.435	S	S	*	.	H	α-helix	trans	-63.3	-39.8	174.5	-53.9	77.7	-172.4	0	0	112	S11 L17	S11-E13 VanDerWaalsContact C-N 3.31Å; S11-E13 WeakPolarHBondContact CB-OE2 3.44Å; S11-E13 PolarHBondContact OG-N 2.89Å; S11-E13 PolarHBondContact OG-OE2 3.19Å; E13-L17 WeakPolarHBondContact O-CB 3.3Å; E13-L17 PolarHBondContact O-N 2.82Å
14	E	84.8	Confident	81.5	Confident	94 Å²	94	82.5 Å²	82.5	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-66.9	-39.5	173.8	-68.7	-178.9	127.4	0	0	111.9	L10 S11 E12 L17 I18	L10-E14 WeakPolarHBondContact CA-OE2 3.44Å; L10-E14 HydrophobicContact CB-CB 4.31Å; L10-E14 HydrophobicContact CD2-CB 4.18Å; S11-E14 PolarHBondContact N-OE2 2.8Å; S11-E14 PolarHBondContact O-N 2.89Å; S11-E14 PolarHBondContact OG-N 3.36Å; S11-E14 VanDerWaalsContact OG-N 3.12Å; E12-E14 PolarHBondContact O-N 3.47Å; E14-L17 PolarHBondContact O-N 3.03Å; E14-I18 WeakPolarHBondContact O-CB 3.49Å; E14-I18 WeakPolarHBondContact O-CD1 3.31Å; E14-I18 VanDerWaalsContact O-CG1 3.26Å; E14-I18 WeakPolarHBondContact O-CG1 3.4Å; E14-I18 PolarHBondContact O-N 2.79Å
15	K	82.3	Confident	82.2	Confident	37 Å²	37	82 Å²	82	16%	0.161	42%	0.418	C	S	.	.	H	α-helix	trans	-63.5	-45.1	176.2	-68	164.8	-160.9	156	0	111	L10 S11 E12 I18 L19 L140	L10-K15 HydrophobicContact CB-CD 4.45Å; L10-K15 HydrophobicContact CB-CG 3.93Å; L10-K15 HydrophobicContact CD1-CG 4.28Å; L10-K15 WeakPolarHBondContact O-CE 3.38Å; L10-K15 PolarHBondContact O-NZ 2.81Å; S11-K15 WeakPolarHBondContact O-CD 3.34Å; S11-K15 VanDerWaalsContact O-CG 3.23Å; S11-K15 WeakPolarHBondContact O-CG 3.46Å; S11-K15 PolarHBondContact O-N 3.08Å; E12-K15 PolarHBondContact O-N 2.95Å; E12-K15 WeakPolarHBondContact OE1-CD 3.13Å; E12-K15 IonicContact OE1-NZ 3.59Å; E12-K15 PolarHBondContact OE1-NZ 3.38Å; K15-I18 PolarHBondContact O-N 3.45Å; K15-L19 WeakPolarHBondContact O-CB 2.96Å; K15-L19 VanDerWaalsContact O-CG 3.28Å; K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-L19 PolarHBondContact O-N 2.79Å; K15-L140 HydrophobicContact CB-CD2 4.2Å; K15-L140 HydrophobicContact CD-CD2 4.39Å; K15-L140 HydrophobicContact CG-CD2 3.75Å
16	D	82.4	Confident	82.5	Confident	112 Å²	112	79.7 Å²	79.7	60%	0.599	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-40.4	176	-85.8	-10.7	0	0	0	112.2	E12 I18 L19 S20	E12-D16 PolarHBondContact O-N 3.11Å; D16-I18 VanDerWaalsContact C-N 3.34Å; D16-I18 PolarHBondContact O-N 3.04Å; D16-L19 PolarHBondContact O-N 2.89Å; D16-S20 PolarHBondContact O-N 3.05Å
17	L	87.3	Confident	83.1	Confident	117 Å²	117	79.1 Å²	79.1	61%	0.613	40%	0.398	S	S	*	.	H	α-helix	trans	-59.3	-45.9	173.8	-167.3	75.9	0	0	0	111.1	E13 E14 S20 V21	E13-L17 WeakPolarHBondContact O-CB 3.3Å; E13-L17 PolarHBondContact O-N 2.82Å; E14-L17 PolarHBondContact O-N 3.03Å; L17-S20 WeakPolarHBondContact O-CB 3.47Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-S20 PolarHBondContact O-OG 2.66Å; L17-V21 PolarHBondContact O-N 3.34Å
18	I	86.3	Confident	83.4	Confident	50 Å²	50	82.5 Å²	82.5	26%	0.256	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-44.9	176.5	-70.4	162.8	0	0	0	110.9	L10 E14 K15 D16 S20 V21 L22 I136 L140	L10-I18 HydrophobicContact CD1-CD1 3.64Å; L10-I18 HydrophobicContact CD2-CD1 4.44Å; E14-I18 WeakPolarHBondContact O-CB 3.49Å; E14-I18 WeakPolarHBondContact O-CD1 3.31Å; E14-I18 VanDerWaalsContact O-CG1 3.26Å; E14-I18 WeakPolarHBondContact O-CG1 3.4Å; E14-I18 PolarHBondContact O-N 2.79Å; K15-I18 PolarHBondContact O-N 3.45Å; D16-I18 VanDerWaalsContact C-N 3.34Å; D16-I18 PolarHBondContact O-N 3.04Å; I18-S20 VanDerWaalsContact C-N 3.29Å; I18-S20 PolarHBondContact O-N 2.82Å; I18-V21 WeakPolarHBondContact O-CB 3.49Å; I18-V21 PolarHBondContact O-N 3.36Å; I18-L22 HydrophobicContact CG2-CD1 3.81Å; I18-L22 HydrophobicContact CG2-CG 4.17Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.37Å; I18-L22 PolarHBondContact O-N 3.11Å; I18-I136 HydrophobicContact CG2-CG2 3.78Å; I18-L140 HydrophobicContact CG2-CD1 3.91Å
19	L	82.7	Confident	83.6	Confident	66 Å²	66	81.4 Å²	81.4	35%	0.346	40%	0.403	S	S	.	.	H	α-helix	trans	-58.4	-39.7	175.8	-72.1	170.4	0	0	0	111.8	K15 D16 V21 L22 Q23 R137 L140	K15-L19 WeakPolarHBondContact O-CB 2.96Å; K15-L19 VanDerWaalsContact O-CG 3.28Å; K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-L19 PolarHBondContact O-N 2.79Å; D16-L19 PolarHBondContact O-N 2.89Å; L19-V21 VanDerWaalsContact C-N 3.28Å; L19-V21 PolarHBondContact O-N 2.89Å; L19-L22 PolarHBondContact O-N 3.09Å; L19-Q23 WeakPolarHBondContact O-CB 3.38Å; L19-Q23 PolarHBondContact O-N 2.79Å; L19-R137 HydrophobicContact CD2-CG 4.45Å; L19-L140 HydrophobicContact CD2-CD1 3.81Å; L19-L140 HydrophobicContact CG-CD1 4.02Å
20	S	85.3	Confident	83.5	Confident	44 Å²	44	79 Å²	79	31%	0.308	39%	0.392	S	S	.	.	H	α-helix	trans	-62.7	-32.1	175.2	88.9	0	0	0	0	113.5	D16 L17 I18 R24	D16-S20 PolarHBondContact O-N 3.05Å; L17-S20 WeakPolarHBondContact O-CB 3.47Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-S20 PolarHBondContact O-OG 2.66Å; I18-S20 VanDerWaalsContact C-N 3.29Å; I18-S20 PolarHBondContact O-N 2.82Å; S20-R24 WeakPolarHBondContact O-CG 3.36Å; S20-R24 PolarHBondContact O-N 3.34Å; S20-R24 PolarHBondContact O-NE 3.49Å; S20-R24 PolarHBondContact OG-NH2 3.06Å
21	V	89.3	Confident	83.5	Confident	79 Å²	79	80.6 Å²	80.6	48%	0.479	41%	0.409	S	S	.	.	H	α-helix	trans	-76.3	-43.8	175.9	174.7	0	0	0	0	109.9	L17 I18 L19 Q23 R24 D25	L17-V21 PolarHBondContact O-N 3.34Å; I18-V21 WeakPolarHBondContact O-CB 3.49Å; I18-V21 PolarHBondContact O-N 3.36Å; L19-V21 VanDerWaalsContact C-N 3.28Å; L19-V21 PolarHBondContact O-N 2.89Å; V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 3.15Å; V21-R24 PolarHBondContact O-N 3.39Å; V21-D25 PolarHBondContact O-N 2.73Å
22	L	82.8	Confident	83.1	Confident	11 Å²	11	81.3 Å²	81.3	6%	0.058	41%	0.409	C	S	.	.	H	α-helix	trans	-64.2	-31.8	178	-65.7	174.8	0	0	0	112.9	I18 L19 E26 S133 I136 R137 L140	I18-L22 HydrophobicContact CG2-CD1 3.81Å; I18-L22 HydrophobicContact CG2-CG 4.17Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.37Å; I18-L22 PolarHBondContact O-N 3.11Å; L19-L22 PolarHBondContact O-N 3.09Å; L22-E26 VanDerWaalsContact O-CB 3.32Å; L22-E26 WeakPolarHBondContact O-CB 3.38Å; L22-E26 PolarHBondContact O-N 3.44Å; L22-E26 VanDerWaalsContact O-N 3.13Å; L22-S133 VanDerWaalsContact CD2-CA 3.45Å; L22-I136 HydrophobicContact CD1-CB 4.2Å; L22-I136 HydrophobicContact CD1-CG2 3.8Å; L22-R137 HydrophobicContact CD1-CB 4.31Å; L22-R137 HydrophobicContact CD1-CG 4.11Å; L22-L140 HydrophobicContact CD1-CD1 4.19Å
23	Q	83.1	Confident	82.8	Confident	119 Å²	119	81.6 Å²	81.6	56%	0.556	41%	0.41	S	S	*	.	H	α-helix	trans	-70.1	-45.6	172.5	177.3	170.8	-19.7	0	0	111.6	L19 V21 D25 E26 E27	L19-Q23 WeakPolarHBondContact O-CB 3.38Å; L19-Q23 PolarHBondContact O-N 2.79Å; V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 3.15Å; Q23-D25 PolarHBondContact O-N 2.94Å; Q23-E26 WeakPolarHBondContact O-CB 3.49Å; Q23-E26 PolarHBondContact O-N 3.01Å; Q23-E26 VanDerWaalsContact O-N 3.13Å; Q23-E27 HydrophobicContact CG-CG 4.47Å; Q23-E27 VanDerWaalsContact CG-OE1 3.25Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.38Å; Q23-E27 PolarHBondContact NE2-OE1 3.49Å; Q23-E27 WeakPolarHBondContact O-CG 3.41Å; Q23-E27 PolarHBondContact O-N 3.16Å
24	R	87.1	Confident	82.7	Confident	138 Å²	138	81.2 Å²	81.2	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-37.8	177.4	-73.9	177.3	-71.9	153.9	-8.7	112.6	S20 V21 E26 E27 V28	S20-R24 WeakPolarHBondContact O-CG 3.36Å; S20-R24 PolarHBondContact O-N 3.34Å; S20-R24 PolarHBondContact O-NE 3.49Å; S20-R24 PolarHBondContact OG-NH2 3.06Å; V21-R24 PolarHBondContact O-N 3.39Å; R24-E26 VanDerWaalsContact C-N 3.34Å; R24-E27 PolarHBondContact O-N 3.47Å; R24-V28 WeakPolarHBondContact O-CB 3.29Å; R24-V28 VanDerWaalsContact O-CG2 3.28Å; R24-V28 WeakPolarHBondContact O-CG2 3.27Å; R24-V28 PolarHBondContact O-N 2.87Å
25	D	81.6	Confident	82.5	Confident	54 Å²	54	80.8 Å²	80.8	29%	0.289	40%	0.401	S	S	.	.	H	α-helix	trans	-58.2	-45	169.3	166.7	56.8	0	0	0	111.6	V21 Q23 V28 R29 S133	V21-D25 PolarHBondContact O-N 2.73Å; Q23-D25 PolarHBondContact O-N 2.94Å; D25-V28 PolarHBondContact O-N 3.29Å; D25-R29 VanDerWaalsContact CG-NE 3.27Å; D25-R29 WeakPolarHBondContact O-CB 3.4Å; D25-R29 WeakPolarHBondContact O-CG 3.46Å; D25-R29 PolarHBondContact O-N 2.88Å; D25-R29 IonicContact OD1-CZ 3.57Å; D25-R29 IonicContact OD1-NE 2.76Å; D25-R29 PolarHBondContact OD1-NE 2.89Å; D25-R29 IonicContact OD2-CZ 2.83Å; D25-R29 VanDerWaalsContact OD2-CZ 3.26Å; D25-R29 IonicContact OD2-NE 3.35Å; D25-R29 PolarHBondContact OD2-NE 3.45Å; D25-R29 IonicContact OD2-NH2 2.71Å; D25-R29 PolarHBondContact OD2-NH2 2.82Å; D25-S133 WeakPolarHBondContact OD2-CB 3.06Å; D25-S133 PolarHBondContact OD2-OG 2.67Å
26	E	80.5	Confident	82.2	Confident	45 Å²	45	80.3 Å²	80.3	21%	0.21	40%	0.4	C	S	.	.	H	α-helix	trans	-64.9	-39.5	177.7	-178.6	62.8	-155.8	0	0	113	L22 Q23 R24 R29 K30 R137	L22-E26 VanDerWaalsContact O-CB 3.32Å; L22-E26 WeakPolarHBondContact O-CB 3.38Å; L22-E26 PolarHBondContact O-N 3.44Å; L22-E26 VanDerWaalsContact O-N 3.13Å; Q23-E26 WeakPolarHBondContact O-CB 3.49Å; Q23-E26 PolarHBondContact O-N 3.01Å; Q23-E26 VanDerWaalsContact O-N 3.13Å; R24-E26 VanDerWaalsContact C-N 3.34Å; E26-R29 IonicContact OE2-CZ 3.63Å; E26-R29 IonicContact OE2-NH1 2.73Å; E26-R29 PolarHBondContact OE2-NH1 3.12Å; E26-R29 IonicContact OE2-NH2 3.35Å; E26-R29 PolarHBondContact OE2-NH2 2.86Å; E26-K30 HydrophobicContact CG-CD 4.27Å; E26-K30 WeakPolarHBondContact O-CB 3.49Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.15Å; E26-K30 WeakPolarHBondContact OE1-CE 3.45Å; E26-K30 IonicContact OE1-NZ 2.53Å; E26-K30 PolarHBondContact OE1-NZ 3.09Å; E26-R137 IonicContact OE2-NH2 3.54Å
27	E	85.8	Confident	81.9	Confident	99 Å²	99	81.4 Å²	81.4	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-67.6	-44	175.6	-73.1	166.1	-173.7	0	0	111.9	Q23 R24 K30 A31	Q23-E27 HydrophobicContact CG-CG 4.47Å; Q23-E27 VanDerWaalsContact CG-OE1 3.25Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.38Å; Q23-E27 PolarHBondContact NE2-OE1 3.49Å; Q23-E27 WeakPolarHBondContact O-CG 3.41Å; Q23-E27 PolarHBondContact O-N 3.16Å; R24-E27 PolarHBondContact O-N 3.47Å; E27-K30 PolarHBondContact O-N 2.99Å; E27-A31 WeakPolarHBondContact O-CB 3.32Å; E27-A31 PolarHBondContact O-N 3.41Å
28	V	82.1	Confident	81.7	Confident	100 Å²	100	82.9 Å²	82.9	61%	0.606	40%	0.397	S	S	*	.	H	α-helix	trans	-62.6	-46	174.5	169.1	0	0	0	0	111	R24 D25 K30 A31 D32	R24-V28 WeakPolarHBondContact O-CB 3.29Å; R24-V28 VanDerWaalsContact O-CG2 3.28Å; R24-V28 WeakPolarHBondContact O-CG2 3.27Å; R24-V28 PolarHBondContact O-N 2.87Å; D25-V28 PolarHBondContact O-N 3.29Å; V28-K30 PolarHBondContact O-N 2.87Å; V28-A31 PolarHBondContact O-N 3.22Å; V28-D32 PolarHBondContact O-N 3.12Å
29	R	76.3	Confident	81.2	Confident	58 Å²	58	81.4 Å²	81.4	22%	0.219	39%	0.39	C	S	.	.	H	α-helix	trans	-61.9	-44	176.2	-76.4	-173.2	-73.7	94.2	3.1	111.9	D25 E26 A31 D32 E33	D25-R29 VanDerWaalsContact CG-NE 3.27Å; D25-R29 WeakPolarHBondContact O-CB 3.4Å; D25-R29 WeakPolarHBondContact O-CG 3.46Å; D25-R29 PolarHBondContact O-N 2.88Å; D25-R29 IonicContact OD1-CZ 3.57Å; D25-R29 IonicContact OD1-NE 2.76Å; D25-R29 PolarHBondContact OD1-NE 2.89Å; D25-R29 IonicContact OD2-CZ 2.83Å; D25-R29 VanDerWaalsContact OD2-CZ 3.26Å; D25-R29 IonicContact OD2-NE 3.35Å; D25-R29 PolarHBondContact OD2-NE 3.45Å; D25-R29 IonicContact OD2-NH2 2.71Å; D25-R29 PolarHBondContact OD2-NH2 2.82Å; E26-R29 IonicContact OE2-CZ 3.63Å; E26-R29 IonicContact OE2-NH1 2.73Å; E26-R29 PolarHBondContact OE2-NH1 3.12Å; E26-R29 IonicContact OE2-NH2 3.35Å; E26-R29 PolarHBondContact OE2-NH2 2.86Å; R29-A31 VanDerWaalsContact C-N 3.34Å; R29-A31 PolarHBondContact O-N 2.83Å; R29-D32 PolarHBondContact O-N 2.86Å; R29-E33 WeakPolarHBondContact O-CG 3.34Å; R29-E33 PolarHBondContact O-N 3.13Å
30	K	79.1	Confident	80.9	Confident	100 Å²	100	83.2 Å²	83.2	44%	0.435	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-37.2	173.8	-81.5	167.3	167.2	138	0	113.1	E26 E27 V28 K34	E26-K30 HydrophobicContact CG-CD 4.27Å; E26-K30 WeakPolarHBondContact O-CB 3.49Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.15Å; E26-K30 WeakPolarHBondContact OE1-CE 3.45Å; E26-K30 IonicContact OE1-NZ 2.53Å; E26-K30 PolarHBondContact OE1-NZ 3.09Å; E27-K30 PolarHBondContact O-N 2.99Å; V28-K30 PolarHBondContact O-N 2.87Å; K30-K34 WeakPolarHBondContact O-CB 3.3Å; K30-K34 WeakPolarHBondContact O-CD 3.31Å; K30-K34 WeakPolarHBondContact O-CG 3.22Å; K30-K34 PolarHBondContact O-N 2.9Å; K30-K34 VanDerWaalsContact O-N 3.16Å
31	A	82.1	Confident	80.7	Confident	56 Å²	56	85 Å²	85	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-66.4	-40.7	174.8	0	0	0	0	0	111.4	E27 V28 R29 K34 R35	E27-A31 WeakPolarHBondContact O-CB 3.32Å; E27-A31 PolarHBondContact O-N 3.41Å; V28-A31 PolarHBondContact O-N 3.22Å; R29-A31 VanDerWaalsContact C-N 3.34Å; R29-A31 PolarHBondContact O-N 2.83Å; A31-K34 PolarHBondContact O-N 2.94Å; A31-R35 WeakPolarHBondContact O-CB 3.25Å; A31-R35 PolarHBondContact O-N 2.76Å
32	D	78.2	Confident	80.3	Confident	60 Å²	60	84.4 Å²	84.4	32%	0.321	39%	0.393	S	S	.	.	H	α-helix	trans	-71.5	-41.6	179.5	-156.9	59.1	0	0	0	113.2	V28 R29 K34 R35 I36	V28-D32 PolarHBondContact O-N 3.12Å; R29-D32 PolarHBondContact O-N 2.86Å; D32-K34 VanDerWaalsContact C-N 3.31Å; D32-K34 PolarHBondContact O-N 3.19Å; D32-R35 CarbonylContact O-C 3.56Å; D32-R35 WeakPolarHBondContact O-CA 3.38Å; D32-R35 WeakPolarHBondContact O-CB 3.38Å; D32-R35 PolarHBondContact O-N 2.79Å; D32-R35 VanDerWaalsContact O-N 3.08Å; D32-R35 IonicContact OD1-CZ 2.64Å; D32-R35 IonicContact OD1-NE 2.68Å; D32-R35 PolarHBondContact OD1-NE 2.86Å; D32-R35 IonicContact OD1-NH2 2.66Å; D32-R35 PolarHBondContact OD1-NH2 3.07Å; D32-R35 IonicContact OD2-NH2 2.86Å; D32-R35 PolarHBondContact OD2-NH2 3.42Å; D32-I36 WeakPolarHBondContact O-CB 3.14Å; D32-I36 WeakPolarHBondContact O-CG1 3.27Å; D32-I36 PolarHBondContact O-N 2.8Å; D32-I36 WeakPolarHBondContact OD2-CD1 3.32Å
33	E	74.6	Confident	80.2	Confident	132 Å²	132	84.4 Å²	84.4	62%	0.617	39%	0.393	S	S	*	.	H	α-helix	trans	-58.4	-43.1	171.5	-75.6	-176.6	174.4	0	0	111.7	R29 R35 I36 K37	R29-E33 WeakPolarHBondContact O-CG 3.34Å; R29-E33 PolarHBondContact O-N 3.13Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 PolarHBondContact O-N 2.85Å; E33-I36 PolarHBondContact O-N 3.46Å; E33-K37 VanDerWaalsContact O-CB 3.3Å; E33-K37 WeakPolarHBondContact O-CB 3.33Å; E33-K37 PolarHBondContact O-N 3.43Å
34	K	81.9	Confident	79.9	Confident	135 Å²	135	83.5 Å²	83.5	59%	0.587	39%	0.391	S	S	*	.	H	α-helix	trans	-61.7	-40.3	173.6	-73.9	169.9	-177.2	179.2	0	111.6	K30 A31 D32 K37 R38	K30-K34 WeakPolarHBondContact O-CB 3.3Å; K30-K34 WeakPolarHBondContact O-CD 3.31Å; K30-K34 WeakPolarHBondContact O-CG 3.22Å; K30-K34 PolarHBondContact O-N 2.9Å; K30-K34 VanDerWaalsContact O-N 3.16Å; A31-K34 PolarHBondContact O-N 2.94Å; D32-K34 VanDerWaalsContact C-N 3.31Å; D32-K34 PolarHBondContact O-N 3.19Å; K34-K37 PolarHBondContact O-N 3.45Å; K34-R38 WeakPolarHBondContact O-CG 3.4Å; K34-R38 PolarHBondContact O-N 3.36Å; K34-R38 VanDerWaalsContact O-N 3.11Å
35	R	81.6	Confident	79.6	Confident	85 Å²	85	80.8 Å²	80.8	32%	0.321	38%	0.384	S	S	.	.	H	α-helix	trans	-63.9	-48.4	175.6	-175.4	-175	68	88.8	7.4	111.6	A31 D32 E33 K37 R38 L39 A114	A31-R35 WeakPolarHBondContact O-CB 3.25Å; A31-R35 PolarHBondContact O-N 2.76Å; D32-R35 CarbonylContact O-C 3.56Å; D32-R35 WeakPolarHBondContact O-CA 3.38Å; D32-R35 WeakPolarHBondContact O-CB 3.38Å; D32-R35 PolarHBondContact O-N 2.79Å; D32-R35 VanDerWaalsContact O-N 3.08Å; D32-R35 IonicContact OD1-CZ 2.64Å; D32-R35 IonicContact OD1-NE 2.68Å; D32-R35 PolarHBondContact OD1-NE 2.86Å; D32-R35 IonicContact OD1-NH2 2.66Å; D32-R35 PolarHBondContact OD1-NH2 3.07Å; D32-R35 IonicContact OD2-NH2 2.86Å; D32-R35 PolarHBondContact OD2-NH2 3.42Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 PolarHBondContact O-N 2.85Å; R35-K37 VanDerWaalsContact C-N 3.35Å; R35-K37 PolarHBondContact O-N 3.34Å; R35-R38 PolarHBondContact O-N 3.39Å; R35-L39 PolarHBondContact O-N 3.45Å; R35-L39 VanDerWaalsContact O-N 3.09Å; R35-A114 PolarHBondContact NH2-O 3.01Å
36	I	75.6	Confident	79.3	Confident	27 Å²	27	80.8 Å²	80.8	14%	0.138	38%	0.384	C	S	.	.	H	α-helix	trans	-63.9	-38.6	177.2	-69.6	168	0	0	0	111.1	D32 E33 L39 K40 T115	D32-I36 WeakPolarHBondContact O-CB 3.14Å; D32-I36 WeakPolarHBondContact O-CG1 3.27Å; D32-I36 PolarHBondContact O-N 2.8Å; D32-I36 WeakPolarHBondContact OD2-CD1 3.32Å; E33-I36 PolarHBondContact O-N 3.46Å; I36-L39 PolarHBondContact O-N 3.01Å; I36-K40 HydrophobicContact CG2-CD 3.87Å; I36-K40 VanDerWaalsContact CG2-CE 3.45Å; I36-K40 HydrophobicContact CG2-CG 4.39Å; I36-K40 WeakPolarHBondContact O-CB 3.42Å; I36-K40 WeakPolarHBondContact O-CG 3.48Å; I36-K40 PolarHBondContact O-N 3.26Å; I36-T115 HydrophobicContact CD1-CG2 4.13Å; I36-T115 HydrophobicContact CG1-CG2 4.15Å; I36-T115 HydrophobicContact CG2-CG2 3.98Å
37	K	77.5	Confident	79	Confident	135 Å²	135	83.1 Å²	83.1	59%	0.587	39%	0.393	S	S	*	.	H	α-helix	trans	-62.2	-42.5	175.2	-172	174.9	-179	178.8	0	111.7	E33 K34 R35 K40 N41	E33-K37 VanDerWaalsContact O-CB 3.3Å; E33-K37 WeakPolarHBondContact O-CB 3.33Å; E33-K37 PolarHBondContact O-N 3.43Å; K34-K37 PolarHBondContact O-N 3.45Å; R35-K37 VanDerWaalsContact C-N 3.35Å; R35-K37 PolarHBondContact O-N 3.34Å; K37-K40 PolarHBondContact O-N 3.31Å; K37-N41 WeakPolarHBondContact O-CB 3.49Å; K37-N41 VanDerWaalsContact O-CG 3.3Å; K37-N41 PolarHBondContact O-N 2.86Å; K37-N41 PolarHBondContact O-OD1 2.93Å
38	R	82.1	Confident	78.4	Confident	147 Å²	147	86.9 Å²	86.9	56%	0.555	40%	0.403	S	S	*	.	H	α-helix	trans	-60.3	-52.1	173.5	-72	-172.6	-63.4	-97.2	4	111.8	K34 R35 K40 N41 E42	K34-R38 WeakPolarHBondContact O-CG 3.4Å; K34-R38 PolarHBondContact O-N 3.36Å; K34-R38 VanDerWaalsContact O-N 3.11Å; R35-R38 PolarHBondContact O-N 3.39Å; R38-K40 VanDerWaalsContact C-N 3.3Å; R38-K40 PolarHBondContact O-N 2.97Å; R38-N41 WeakPolarHBondContact O-CB 3.48Å; R38-N41 PolarHBondContact O-N 2.88Å; R38-E42 WeakPolarHBondContact O-CG 3.24Å; R38-E42 PolarHBondContact O-N 2.82Å
39	L	76.3	Confident	77.8	Confident	20 Å²	20	89.6 Å²	89.6	11%	0.105	41%	0.407	C	S	.	.	H	α-helix	trans	-60.5	-36.2	179.3	-67.8	172.3	0	0	0	113.3	R35 I36 L43 E110 L111 A114	R35-L39 PolarHBondContact O-N 3.45Å; R35-L39 VanDerWaalsContact O-N 3.09Å; I36-L39 PolarHBondContact O-N 3.01Å; L39-L43 WeakPolarHBondContact O-CB 3.39Å; L39-L43 PolarHBondContact O-N 3.09Å; L39-E110 WeakPolarHBondContact CD2-OE1 3.49Å; L39-L111 HydrophobicContact CB-CD1 3.97Å; L39-A114 HydrophobicContact CD1-CB 3.53Å
40	K	76.3	Confident	77.2	Confident	104 Å²	104	87.3 Å²	87.3	45%	0.452	40%	0.401	S	S	.	.	H	α-helix	trans	-66.9	-42.6	173	-75.2	173.4	179.7	171.9	0	111.8	I36 K37 R38 L43 L44 L111	I36-K40 HydrophobicContact CG2-CD 3.87Å; I36-K40 VanDerWaalsContact CG2-CE 3.45Å; I36-K40 HydrophobicContact CG2-CG 4.39Å; I36-K40 WeakPolarHBondContact O-CB 3.42Å; I36-K40 WeakPolarHBondContact O-CG 3.48Å; I36-K40 PolarHBondContact O-N 3.26Å; K37-K40 PolarHBondContact O-N 3.31Å; R38-K40 VanDerWaalsContact C-N 3.3Å; R38-K40 PolarHBondContact O-N 2.97Å; K40-L43 PolarHBondContact O-N 3.06Å; K40-L44 WeakPolarHBondContact O-CG 3.45Å; K40-L44 PolarHBondContact O-N 3.2Å; K40-L111 HydrophobicContact CG-CD1 3.84Å; K40-L111 HydrophobicContact CG-CD2 3.91Å
41	N	81.7	Confident	76.2	Confident	82 Å²	82	83.7 Å²	83.7	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-64.5	-44.7	176.7	-75.2	2.6	0	0	0	111.8	K37 R38 L43 L44 E45	K37-N41 WeakPolarHBondContact O-CB 3.49Å; K37-N41 VanDerWaalsContact O-CG 3.3Å; K37-N41 PolarHBondContact O-N 2.86Å; K37-N41 PolarHBondContact O-OD1 2.93Å; R38-N41 WeakPolarHBondContact O-CB 3.48Å; R38-N41 PolarHBondContact O-N 2.88Å; N41-L43 PolarHBondContact O-N 3.27Å; N41-L44 CarbonylContact O-C 3.52Å; N41-L44 PolarHBondContact O-N 3.18Å; N41-E45 WeakPolarHBondContact O-CB 3.45Å; N41-E45 PolarHBondContact O-N 2.84Å
42	E	80.2	Confident	75.2	Confident	65 Å²	65	84.4 Å²	84.4	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-56.2	-47.3	172.5	-72.3	169.4	-133.2	0	0	111.5	R38 L44 E45 I46 K107	R38-E42 WeakPolarHBondContact O-CG 3.24Å; R38-E42 PolarHBondContact O-N 2.82Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.82Å; E42-E45 PolarHBondContact O-N 3.31Å; E42-E45 VanDerWaalsContact O-N 3.14Å; E42-I46 WeakPolarHBondContact O-CB 3.49Å; E42-I46 VanDerWaalsContact O-CG1 3.25Å; E42-I46 WeakPolarHBondContact O-CG1 3.13Å; E42-I46 PolarHBondContact O-N 3.17Å; E42-K107 WeakPolarHBondContact OE2-CE 3.29Å; E42-K107 IonicContact OE2-NZ 2.7Å; E42-K107 PolarHBondContact OE2-NZ 2.98Å
43	L	81	Confident	74.1	Confident	12 Å²	12	90.7 Å²	90.7	6%	0.063	40%	0.402	C	S	.	.	H	α-helix	trans	-63.2	-37.6	178.7	-176.1	60.8	0	0	0	112	L39 K40 N41 K47 V104 K107 E108 L111	L39-L43 WeakPolarHBondContact O-CB 3.39Å; L39-L43 PolarHBondContact O-N 3.09Å; K40-L43 PolarHBondContact O-N 3.06Å; N41-L43 PolarHBondContact O-N 3.27Å; L43-K47 HydrophobicContact CD1-CD 4.37Å; L43-K47 HydrophobicContact CG-CD 4.25Å; L43-K47 VanDerWaalsContact O-CB 3.26Å; L43-K47 WeakPolarHBondContact O-CB 3.44Å; L43-K47 WeakPolarHBondContact O-CG 3.22Å; L43-K47 PolarHBondContact O-N 3.42Å; L43-V104 HydrophobicContact CD1-CG1 4.44Å; L43-K107 HydrophobicContact CD1-CB 4.01Å; L43-E108 HydrophobicContact CD1-CB 4.23Å; L43-E108 HydrophobicContact CD2-CB 4.24Å; L43-E108 HydrophobicContact CD2-CG 4.29Å; L43-L111 HydrophobicContact CD2-CD2 3.64Å
44	L	75.9	Confident	72.9	Confident	99 Å²	99	88.6 Å²	88.6	52%	0.518	42%	0.416	S	S	.	.	H	α-helix	trans	-69.6	-33	173.5	-71.9	171.3	0	0	0	112.7	K40 N41 E42 R48	K40-L44 WeakPolarHBondContact O-CG 3.45Å; K40-L44 PolarHBondContact O-N 3.2Å; N41-L44 CarbonylContact O-C 3.52Å; N41-L44 PolarHBondContact O-N 3.18Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.82Å; L44-R48 WeakPolarHBondContact O-CB 3.47Å; L44-R48 WeakPolarHBondContact O-CG 3.27Å; L44-R48 PolarHBondContact O-N 3.34Å; L44-R48 PolarHBondContact O-NE 2.69Å
45	E	80.2	Confident	71.1	Confident	82 Å²	82	85 Å²	85	38%	0.383	41%	0.408	S	S	.	.	H	α-helix	trans	-72.5	-45.4	176	-164.9	-168.4	147.9	0	0	111.5	N41 E42 K47 R48 K49	N41-E45 WeakPolarHBondContact O-CB 3.45Å; N41-E45 PolarHBondContact O-N 2.84Å; E42-E45 PolarHBondContact O-N 3.31Å; E42-E45 VanDerWaalsContact O-N 3.14Å; E45-K47 VanDerWaalsContact C-N 3.27Å; E45-K47 PolarHBondContact O-N 3.48Å; E45-R48 CarbonylContact O-C 3.52Å; E45-R48 WeakPolarHBondContact O-CA 3.4Å; E45-R48 WeakPolarHBondContact O-CB 3.29Å; E45-R48 PolarHBondContact O-N 3.47Å; E45-K49 HydrophobicContact CG-CD 4.22Å; E45-K49 WeakPolarHBondContact O-CB 3.24Å; E45-K49 PolarHBondContact O-N 2.75Å; E45-K49 WeakPolarHBondContact OE1-CE 3.48Å; E45-K49 IonicContact OE1-NZ 3.28Å; E45-K49 PolarHBondContact OE1-NZ 2.9Å
46	I	75.7	Confident	69.4	Low	53 Å²	53	86.2 Å²	86.2	27%	0.272	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-32.5	175	-61.4	165.5	0	0	0	110.4	E42 G50 V104 K107	E42-I46 WeakPolarHBondContact O-CB 3.49Å; E42-I46 VanDerWaalsContact O-CG1 3.25Å; E42-I46 WeakPolarHBondContact O-CG1 3.13Å; E42-I46 PolarHBondContact O-N 3.17Å; I46-G50 WeakPolarHBondContact O-CA 3.3Å; I46-G50 PolarHBondContact O-N 2.95Å; I46-V104 HydrophobicContact CG2-CG2 3.8Å; I46-K107 HydrophobicContact CD1-CB 4.41Å; I46-K107 HydrophobicContact CD1-CD 4.33Å; I46-K107 HydrophobicContact CD1-CG 3.83Å
47	K	75.1	Confident	68.1	Low	94 Å²	94	94.4 Å²	94.4	41%	0.409	45%	0.454	S	S	.	.	H	α-helix	trans	-72.2	-27.2	170.2	-75.5	175.3	179.2	-179.7	0	113.4	L43 E45 V104 E108	L43-K47 HydrophobicContact CD1-CD 4.37Å; L43-K47 HydrophobicContact CG-CD 4.25Å; L43-K47 VanDerWaalsContact O-CB 3.26Å; L43-K47 WeakPolarHBondContact O-CB 3.44Å; L43-K47 WeakPolarHBondContact O-CG 3.22Å; L43-K47 PolarHBondContact O-N 3.42Å; E45-K47 VanDerWaalsContact C-N 3.27Å; E45-K47 PolarHBondContact O-N 3.48Å; K47-V104 HydrophobicContact CD-CG1 4.34Å; K47-V104 VanDerWaalsContact CE-CG1 3.47Å; K47-V104 HydrophobicContact CG-CG1 3.86Å; K47-V104 HydrophobicContact CG-CG2 4.41Å; K47-E108 WeakPolarHBondContact CE-OE2 3.24Å; K47-E108 IonicContact NZ-OE2 2.63Å; K47-E108 PolarHBondContact NZ-OE2 2.84Å
48	R	72	Confident	67.2	Low	179 Å²	179	90.3 Å²	90.3	68%	0.675	44%	0.436	S	S	*	.	H	α-helix	trans	-78.1	-43	172.6	-82.4	179.5	-76.3	172.3	-3.1	113.1	L44 E45 G50	L44-R48 WeakPolarHBondContact O-CB 3.47Å; L44-R48 WeakPolarHBondContact O-CG 3.27Å; L44-R48 PolarHBondContact O-N 3.34Å; L44-R48 PolarHBondContact O-NE 2.69Å; E45-R48 CarbonylContact O-C 3.52Å; E45-R48 WeakPolarHBondContact O-CA 3.4Å; E45-R48 WeakPolarHBondContact O-CB 3.29Å; E45-R48 PolarHBondContact O-N 3.47Å; R48-G50 VanDerWaalsContact C-N 3.32Å
49	K	69.8	Low	66.1	Low	156 Å²	156	87 Å²	87	68%	0.678	44%	0.435	S	S	*	.	H	α-helix	trans	-71.6	-25.2	175	-71.9	177.8	169.3	174.1	0	112.3	E45 A51	E45-K49 HydrophobicContact CG-CD 4.22Å; E45-K49 WeakPolarHBondContact O-CB 3.24Å; E45-K49 PolarHBondContact O-N 2.75Å; E45-K49 WeakPolarHBondContact OE1-CE 3.48Å; E45-K49 IonicContact OE1-NZ 3.28Å; E45-K49 PolarHBondContact OE1-NZ 2.9Å; K49-A51 PolarHBondContact O-N 3.42Å
50	G	65	Low	65.5	Low	10 Å²	10	93 Å²	93	10%	0.103	47%	0.467	C	S	.	.	S	Bend	trans	-67.1	117.9	177.5	0	0	0	0	0	112.8	I46 R48 K52	I46-G50 WeakPolarHBondContact O-CA 3.3Å; I46-G50 PolarHBondContact O-N 2.95Å; R48-G50 VanDerWaalsContact C-N 3.32Å; G50-K52 PolarHBondContact O-N 3.44Å
51	A	58.5	Low	65.3	Low	24 Å²	24	95.8 Å²	95.8	20%	0.198	47%	0.474	C	S	.	.	S	Bend	trans	-69.6	3.4	-169.2	0	0	0	0	0	116.4	K49 Y58 R65 Q67	K49-A51 PolarHBondContact O-N 3.42Å; A51-Y58 PolarHBondContact O-OH 2.81Å; A51-Y58 VanDerWaalsContact O-OH 3.06Å; A51-R65 WeakPolarHBondContact CB-O 3.21Å; A51-R65 PolarHBondContact N-O 3.21Å; A51-Q67 HydrophobicContact CB-CB 4.12Å; A51-Q67 HydrophobicContact CB-CG 3.66Å; A51-Q67 PolarHBondContact O-NE2 2.88Å
52	K	60.6	Low	65.2	Low	72 Å²	72	93.2 Å²	93.2	31%	0.313	46%	0.462	S	S	.	.			trans	-99.1	94.9	174.2	-177.9	156.4	-175.1	-175.1	0	111.5	G50 Y58 A64 H85	G50-K52 PolarHBondContact O-N 3.44Å; K52-Y58 WeakPolarHBondContact CA-OH 3.28Å; K52-Y58 HydrophobicContact CB-CE2 4.25Å; K52-Y58 HydrophobicContact CD-CD2 4.07Å; K52-Y58 HydrophobicContact CD-CE2 3.97Å; K52-Y58 HydrophobicContact CG-CD2 4.24Å; K52-Y58 HydrophobicContact CG-CE2 3.62Å; K52-A64 HydrophobicContact CB-CB 4.34Å; K52-A64 VanDerWaalsContact CB-O 3.26Å; K52-A64 WeakPolarHBondContact CB-O 3.45Å; K52-A64 HydrophobicContact CD-CB 3.79Å; K52-H85 PolarHBondContact NZ-CD2 3.04Å; K52-H85 PolarHBondContact NZ-CE1 2.97Å; K52-H85 VanDerWaalsContact NZ-CE1 3.27Å; K52-H85 PolarHBondContact NZ-NE2 2.96Å
53	R	55.3	Low	65.4	Low	191 Å²	191	90.1 Å²	90.1	72%	0.721	45%	0.447	S	S	*	.			trans	-82.8	139.7	168.7	-63.1	-178.9	-177.9	179.8	1.5	108.9	S55 Y58	R53-S55 PolarHBondContact O-N 2.64Å; R53-Y58 PolarHBondContact N-OH 3.17Å
54	G	47.8	Very low	65.3	Low	88 Å²	88	89.8 Å²	89.8	91%	0.907	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	35.1	-166	0	0	0	0	0	117.6
55	S	45	Very low	65.7	Low	61 Å²	61	87 Å²	87	43%	0.427	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.8	29.6	175.8	84.1	0	0	0	0	113.8	R53 K322	R53-S55 PolarHBondContact O-N 2.64Å; S55-K322 WeakPolarHBondContact OG-CE 3.37Å; S55-K322 PolarHBondContact OG-NZ 2.66Å
56	Q	46.7	Very low	65.7	Low	109 Å²	109	85.6 Å²	85.6	51%	0.509	43%	0.428	S	S	.	.			trans	-119.9	132.9	176.4	-79.3	178.3	-50.8	0	0	109.7	Y58	Q56-Y58 HydrophobicContact CB-CD2 4.37Å; Q56-Y58 HydrophobicContact CB-CE1 4.43Å; Q56-Y58 HydrophobicContact CB-CE2 3.65Å; Q56-Y58 WeakPolarHBondContact O-CD2 3.32Å; Q56-Y58 VanDerWaalsContact O-CE2 3.26Å; Q56-Y58 WeakPolarHBondContact O-CE2 3.37Å; Q56-Y58 PolarHBondContact O-N 3.46Å; Q56-Y58 PolarHBondContact OE1-OH 2.81Å
57	H	48.5	Very low	65.8	Low	199 Å²	199	87.6 Å²	87.6	92%	0.921	44%	0.436	S	S	*	.			trans	-74.1	112.7	164.8	-66.6	-92.1	0	0	0	107.2
58	Y	57.4	Low	65.9	Low	50 Å²	50	88 Å²	88	20%	0.196	44%	0.44	C	S	.	.			trans	-90.2	144.8	171.5	-65.4	-84.3	0	0	0	108	A51 K52 R53 Q56 Q67	A51-Y58 PolarHBondContact O-OH 2.81Å; A51-Y58 VanDerWaalsContact O-OH 3.06Å; K52-Y58 WeakPolarHBondContact CA-OH 3.28Å; K52-Y58 HydrophobicContact CB-CE2 4.25Å; K52-Y58 HydrophobicContact CD-CD2 4.07Å; K52-Y58 HydrophobicContact CD-CE2 3.97Å; K52-Y58 HydrophobicContact CG-CD2 4.24Å; K52-Y58 HydrophobicContact CG-CE2 3.62Å; R53-Y58 PolarHBondContact N-OH 3.17Å; Q56-Y58 HydrophobicContact CB-CD2 4.37Å; Q56-Y58 HydrophobicContact CB-CE1 4.43Å; Q56-Y58 HydrophobicContact CB-CE2 3.65Å; Q56-Y58 WeakPolarHBondContact O-CD2 3.32Å; Q56-Y58 VanDerWaalsContact O-CE2 3.26Å; Q56-Y58 WeakPolarHBondContact O-CE2 3.37Å; Q56-Y58 PolarHBondContact O-N 3.46Å; Q56-Y58 PolarHBondContact OE1-OH 2.81Å; Y58-Q67 HydrophobicContact CD1-CG 4.31Å; Y58-Q67 HydrophobicContact CE1-CG 3.83Å
59	S	59.5	Low	66.2	Low	76 Å²	76	84.4 Å²	84.4	53%	0.531	44%	0.441	S	S	.	.			trans	-65.2	148	169.1	58.7	0	0	0	0	109.9	R61 T62	S59-R61 PolarHBondContact O-N 2.87Å; S59-T62 PolarHBondContact O-N 2.98Å; S59-T62 PolarHBondContact O-OG1 3.31Å; S59-T62 WeakPolarHBondContact OG-CG2 3.25Å
60	D	62.9	Low	66.4	Low	146 Å²	146	78.5 Å²	78.5	78%	0.781	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	15.2	-178.8	-61.1	-53.5	0	0	0	114.7	L86	D60-L86 WeakPolarHBondContact O-CD2 3.47Å
61	R	73.4	Confident	66.5	Low	163 Å²	163	80.9 Å²	80.9	62%	0.615	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.1	27.9	-178.2	-60.5	-173.4	-177.2	169.8	2.2	112.2	S59 S69 L70	S59-R61 PolarHBondContact O-N 2.87Å; R61-S69 WeakPolarHBondContact O-CA 3.5Å; R61-L70 PolarHBondContact O-N 2.93Å
62	T	79.8	Confident	66.5	Low	28 Å²	28	91.3 Å²	91.3	17%	0.172	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-127.5	147.3	174.9	50.2	0	0	0	0	112.5	S59 A64 Q67 E68	S59-T62 PolarHBondContact O-N 2.98Å; S59-T62 PolarHBondContact O-OG1 3.31Å; S59-T62 WeakPolarHBondContact OG-CG2 3.25Å; T62-A64 PolarHBondContact O-N 3.07Å; T62-Q67 WeakPolarHBondContact CB-O 3.5Å; T62-Q67 WeakPolarHBondContact CG2-O 3.36Å; T62-E68 CarbonylContact C-O 3.53Å; T62-E68 WeakPolarHBondContact CA-O 3.42Å
63	C	82.6	Confident	66.3	Low	0 Å²	0	94.5 Å²	94.5	0%	0	50%	0.496	C	S	.	.			trans	-75	121.4	-180	177.2	0	0	0	0	111.7	R65 C66 Q67 E68 L70 C88	C63-R65 PolarHBondContact O-N 3.03Å; C63-C66 WeakPolarHBondContact CB-SG 3.4Å; C63-C66 PolarHBondContact O-N 3.08Å; C63-C66 PolarHBondContact SG-SG 2.89Å; C63-Q67 VanDerWaalsContact O-CA 3.25Å; C63-Q67 WeakPolarHBondContact O-CA 3.36Å; C63-Q67 PolarHBondContact O-N 3.29Å; C63-E68 HydrophobicContact CB-CB 4.49Å; C63-E68 PolarHBondContact N-O 3.3Å; C63-L70 HydrophobicContact CB-CD1 4.26Å; C63-C88 HydrophobicContact CB-CB 4.14Å; C63-C88 PolarHBondContact SG-N 2.85Å; C63-C88 VanDerWaalsContact SG-SG 3.7Å
64	A	79	Confident	66.3	Low	6 Å²	6	88.7 Å²	88.7	5%	0.05	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	19.2	178.2	0	0	0	0	0	115.5	K52 T62 H85 L86	K52-A64 HydrophobicContact CB-CB 4.34Å; K52-A64 VanDerWaalsContact CB-O 3.26Å; K52-A64 WeakPolarHBondContact CB-O 3.45Å; K52-A64 HydrophobicContact CD-CB 3.79Å; T62-A64 PolarHBondContact O-N 3.07Å; A64-H85 HydrophobicContact CB-CB 3.71Å; A64-L86 WeakPolarHBondContact CB-O 3.34Å; A64-L86 PolarHBondContact N-O 3.06Å
65	R	83.9	Confident	66.6	Low	39 Å²	39	88.6 Å²	88.6	15%	0.147	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	-36.3	-178.2	-62.3	-64.2	171.4	-132.8	7.2	113.4	A51 C63 V87 C91 C102	A51-R65 WeakPolarHBondContact CB-O 3.21Å; A51-R65 PolarHBondContact N-O 3.21Å; C63-R65 PolarHBondContact O-N 3.03Å; R65-V87 HydrophobicContact CG-CG1 4.12Å; R65-V87 HydrophobicContact CG-CG2 4.08Å; R65-C91 HydrophobicContact CB-CB 3.62Å; R65-C91 VanDerWaalsContact CB-SG 3.59Å; R65-C91 HydrophobicContact CG-CB 4.14Å; R65-C102 HydrophobicContact CG-CB 4.25Å; R65-C102 PolarHBondContact NE-SG 3.28Å; R65-C102 PolarHBondContact NH2-SG 2.93Å
66	C	80.8	Confident	67.1	Low	53 Å²	53	95.3 Å²	95.3	36%	0.358	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	1.9	174.5	58	0	0	0	0	114.7	C63 E68 C88	C63-C66 WeakPolarHBondContact CB-SG 3.4Å; C63-C66 PolarHBondContact O-N 3.08Å; C63-C66 PolarHBondContact SG-SG 2.89Å; C66-E68 PolarHBondContact O-N 3.28Å; C66-E68 WeakPolarHBondContact SG-CB 3.22Å; C66-C88 PolarHBondContact SG-SG 2.95Å
67	Q	77.4	Confident	67.8	Low	95 Å²	95	94 Å²	94	44%	0.444	49%	0.489	S	S	.	.			trans	60.7	-12.1	-173.6	-83.4	174.8	27.1	0	0	117.1	A51 Y58 T62 C63	A51-Q67 HydrophobicContact CB-CB 4.12Å; A51-Q67 HydrophobicContact CB-CG 3.66Å; A51-Q67 PolarHBondContact O-NE2 2.88Å; Y58-Q67 HydrophobicContact CD1-CG 4.31Å; Y58-Q67 HydrophobicContact CE1-CG 3.83Å; T62-Q67 WeakPolarHBondContact CB-O 3.5Å; T62-Q67 WeakPolarHBondContact CG2-O 3.36Å; C63-Q67 VanDerWaalsContact O-CA 3.25Å; C63-Q67 WeakPolarHBondContact O-CA 3.36Å; C63-Q67 PolarHBondContact O-N 3.29Å
68	E	78.3	Confident	68.9	Low	104 Å²	104	86 Å²	86	49%	0.486	45%	0.453	S	S	.	.			trans	-43.6	139.3	174.2	-173.3	175.4	-140.5	0	0	114.1	T62 C63 C66	T62-E68 CarbonylContact C-O 3.53Å; T62-E68 WeakPolarHBondContact CA-O 3.42Å; C63-E68 HydrophobicContact CB-CB 4.49Å; C63-E68 PolarHBondContact N-O 3.3Å; C66-E68 PolarHBondContact O-N 3.28Å; C66-E68 WeakPolarHBondContact SG-CB 3.22Å
69	S	77.3	Confident	70.1	Confident	102 Å²	102	86.2 Å²	86.2	71%	0.713	46%	0.46	S	S	*	.	B	Isolated β-bridge	trans	-74.6	125.1	-179	48	0	0	0	0	111.7	R61	R61-S69 WeakPolarHBondContact O-CA 3.5Å
70	L	75.1	Confident	71.3	Confident	33 Å²	33	82.6 Å²	82.6	17%	0.173	43%	0.434	C	S	.	.			trans	-95	123.6	178.2	-64.5	167.5	0	0	0	108.9	R61 C63 L86 C88	R61-L70 PolarHBondContact O-N 2.93Å; C63-L70 HydrophobicContact CB-CD1 4.26Å; L70-L86 HydrophobicContact CD1-CD2 3.61Å; L70-L86 HydrophobicContact CD1-CG 3.64Å; L70-C88 HydrophobicContact CD2-CB 3.72Å
71	G	66.1	Low	72.2	Confident	60 Å²	60	83.2 Å²	83.2	62%	0.619	43%	0.426	S	S	*	.			trans	-64.1	-179.4	-175.8	0	0	0	0	0	114.7	L73	G71-L73 PolarHBondContact O-N 3.27Å
72	R	59.8	Low	72.5	Confident	242 Å²	242	77.5 Å²	77.5	91%	0.913	42%	0.417	S	S	*	.	S	Bend	trans	-62.4	13	-172.1	-67.8	-173.9	177	-169.9	0.3	116.7
73	L	56.6	Low	72.5	Confident	139 Å²	139	77.8 Å²	77.8	73%	0.728	42%	0.42	S	S	*	.	S	Bend	trans	-79.4	156.5	178.6	-63.7	174.9	0	0	0	112	G71	G71-L73 PolarHBondContact O-N 3.27Å
74	S	54	Low	72.4	Confident	70 Å²	70	83.8 Å²	83.8	49%	0.49	45%	0.452	S	S	.	.			trans	-65.2	127.3	-163.1	60.4	0	0	0	0	114.2	K76 T77	S74-K76 PolarHBondContact O-N 2.94Å; S74-K76 VanDerWaalsContact O-N 3.09Å; S74-T77 PolarHBondContact O-N 2.81Å; S74-T77 PolarHBondContact O-OG1 2.81Å; S74-T77 VanDerWaalsContact O-OG1 3.07Å
75	P	55.2	Low	72.5	Confident	86 Å²	86	86.1 Å²	86.1	56%	0.558	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-58.7	-29.1	-173.8	-28.5	35.1	0	0	0	115.5	T77 N78 T79	P75-T77 PolarHBondContact O-N 2.93Å; P75-T77 VanDerWaalsContact O-N 3.15Å; P75-N78 PolarHBondContact O-N 2.9Å; P75-T79 PolarHBondContact O-OG1 3.27Å
76	K	54.8	Low	72.5	Confident	202 Å²	202	85.8 Å²	85.8	88%	0.878	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.4	-175.3	-66.3	-175.3	178.1	-179.9	0	113.8	S74	S74-K76 PolarHBondContact O-N 2.94Å; S74-K76 VanDerWaalsContact O-N 3.09Å
77	T	61.4	Low	72.7	Confident	81 Å²	81	83.2 Å²	83.2	50%	0.497	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-89.1	-23.5	-174.5	58.6	0	0	0	0	114.5	S74 P75	S74-T77 PolarHBondContact O-N 2.81Å; S74-T77 PolarHBondContact O-OG1 2.81Å; S74-T77 VanDerWaalsContact O-OG1 3.07Å; P75-T77 PolarHBondContact O-N 2.93Å; P75-T77 VanDerWaalsContact O-N 3.15Å
78	N	71.1	Confident	73	Confident	30 Å²	30	79 Å²	79	16%	0.16	43%	0.426	C	S	.	.	S	Bend	trans	-102.7	21	-172.5	-68.5	-43.7	0	0	0	113.5	P75 L86 V87 W100	P75-N78 PolarHBondContact O-N 2.9Å; N78-L86 HydrophobicContact CB-CD1 3.76Å; N78-L86 HydrophobicContact CB-CG 4.4Å; N78-L86 CarbonylContact O-C 3.56Å; N78-L86 VanDerWaalsContact O-CA 3.31Å; N78-L86 WeakPolarHBondContact O-CA 3.27Å; N78-V87 PolarHBondContact O-N 2.66Å; N78-W100 VanDerWaalsContact C-CZ2 3.41Å; N78-W100 WeakPolarHBondContact O-CH2 3.33Å
79	T	83.7	Confident	73.3	Confident	55 Å²	55	82.5 Å²	82.5	34%	0.337	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-99.2	124.4	-178.8	-63.7	0	0	0	0	112.7	P75 R81 N84 H85 W100	P75-T79 PolarHBondContact O-OG1 3.27Å; T79-R81 PolarHBondContact O-N 3.37Å; T79-N84 HydrophobicContact CG2-CB 4.47Å; T79-H85 WeakPolarHBondContact CA-O 3.19Å; T79-W100 VanDerWaalsContact C-CH2 3.43Å; T79-W100 WeakPolarHBondContact O-CZ2 3.49Å
80	C	84.6	Confident	73.7	Confident	0 Å²	0	83 Å²	83	0%	0	43%	0.43	C	S	.	.			trans	-70.4	120.2	-177.4	170.7	0	0	0	0	113	G82 C83 N84 H85 V87 W100 C102	C80-G82 PolarHBondContact O-N 2.95Å; C80-G82 PolarHBondContact SG-N 2.93Å; C80-G82 VanDerWaalsContact SG-N 3.45Å; C80-C83 PolarHBondContact O-N 2.87Å; C80-C83 VanDerWaalsContact SG-SG 3.68Å; C80-N84 WeakPolarHBondContact O-CA 3.33Å; C80-N84 PolarHBondContact O-N 2.92Å; C80-H85 PolarHBondContact N-O 2.84Å; C80-V87 HydrophobicContact CB-CG2 4.38Å; C80-W100 HydrophobicContact CB-CH2 4.08Å; C80-W100 HydrophobicContact CB-CZ3 3.79Å; C80-C102 HydrophobicContact CB-CB 4.22Å; C80-C102 PolarHBondContact SG-N 3Å
81	R	81.7	Confident	74.2	Confident	160 Å²	160	82.3 Å²	82.3	60%	0.604	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-1.5	177.8	-63.2	-171.9	176.7	-152.7	2	116.5	T79 T99 R101	T79-R81 PolarHBondContact O-N 3.37Å; R81-T99 VanDerWaalsContact CZ-CG2 3.49Å; R81-T99 VanDerWaalsContact NH1-CG2 3.33Å; R81-R101 HydrophobicContact CB-CG 4.47Å; R81-R101 PolarHBondContact O-NH1 3.37Å
82	G	79	Confident	75.3	Confident	42 Å²	42	82.9 Å²	82.9	43%	0.433	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-25.7	178.9	0	0	0	0	0	115.1	C80	C80-G82 PolarHBondContact O-N 2.95Å; C80-G82 PolarHBondContact SG-N 2.93Å; C80-G82 VanDerWaalsContact SG-N 3.45Å
83	C	80.3	Confident	76.7	Confident	34 Å²	34	75 Å²	75	23%	0.23	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	5.8	-176.2	65.8	0	0	0	0	113.8	C80 H85	C80-C83 PolarHBondContact O-N 2.87Å; C80-C83 VanDerWaalsContact SG-SG 3.68Å; C83-H85 VanDerWaalsContact C-N 3.31Å; C83-H85 PolarHBondContact O-CE1 3.35Å; C83-H85 VanDerWaalsContact O-CE1 3.25Å; C83-H85 PolarHBondContact O-N 2.93Å; C83-H85 PolarHBondContact O-ND1 2.78Å
84	N	80.4	Confident	78.2	Confident	126 Å²	126	75.2 Å²	75.2	67%	0.674	38%	0.383	S	S	*	.			trans	48.3	51.5	179.8	-59.7	-11.8	0	0	0	112.3	T79 C80	T79-N84 HydrophobicContact CG2-CB 4.47Å; C80-N84 WeakPolarHBondContact O-CA 3.33Å; C80-N84 PolarHBondContact O-N 2.92Å
85	H	81.4	Confident	79.5	Confident	55 Å²	55	74.3 Å²	74.3	26%	0.255	37%	0.371	S	S	.	.			trans	-126.4	147.2	178	-70	1.1	0	0	0	110.9	K52 A64 T79 C80 C83	K52-H85 PolarHBondContact NZ-CD2 3.04Å; K52-H85 PolarHBondContact NZ-CE1 2.97Å; K52-H85 VanDerWaalsContact NZ-CE1 3.27Å; K52-H85 PolarHBondContact NZ-NE2 2.96Å; A64-H85 HydrophobicContact CB-CB 3.71Å; T79-H85 WeakPolarHBondContact CA-O 3.19Å; C80-H85 PolarHBondContact N-O 2.84Å; C83-H85 VanDerWaalsContact C-N 3.31Å; C83-H85 PolarHBondContact O-CE1 3.35Å; C83-H85 VanDerWaalsContact O-CE1 3.25Å; C83-H85 PolarHBondContact O-N 2.93Å; C83-H85 PolarHBondContact O-ND1 2.78Å
86	L	83	Confident	80.7	Confident	32 Å²	32	76.7 Å²	76.7	17%	0.168	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-71.5	128.5	175.5	-156.4	73.2	0	0	0	110.6	D60 A64 L70 N78	D60-L86 WeakPolarHBondContact O-CD2 3.47Å; A64-L86 WeakPolarHBondContact CB-O 3.34Å; A64-L86 PolarHBondContact N-O 3.06Å; L70-L86 HydrophobicContact CD1-CD2 3.61Å; L70-L86 HydrophobicContact CD1-CG 3.64Å; N78-L86 HydrophobicContact CB-CD1 3.76Å; N78-L86 HydrophobicContact CB-CG 4.4Å; N78-L86 CarbonylContact O-C 3.56Å; N78-L86 VanDerWaalsContact O-CA 3.31Å; N78-L86 WeakPolarHBondContact O-CA 3.27Å
87	V	84.9	Confident	81.8	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.373	C	S	.	.			trans	-144.3	136.7	-172.1	179.8	0	0	0	0	111.2	R65 N78 C80 C91 W100 C102	R65-V87 HydrophobicContact CG-CG1 4.12Å; R65-V87 HydrophobicContact CG-CG2 4.08Å; N78-V87 PolarHBondContact O-N 2.66Å; C80-V87 HydrophobicContact CB-CG2 4.38Å; V87-C91 HydrophobicContact CG1-CB 3.36Å; V87-C91 WeakPolarHBondContact CG1-O 3.23Å; V87-W100 HydrophobicContact CB-CH2 4.16Å; V87-W100 HydrophobicContact CB-CZ3 4.11Å; V87-W100 HydrophobicContact CG1-CZ3 4.49Å; V87-C102 HydrophobicContact CB-CB 4.48Å; V87-C102 HydrophobicContact CG1-CB 4.04Å; V87-C102 HydrophobicContact CG2-CB 3.9Å
88	C	84.8	Confident	82.6	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.034	38%	0.377	C	S	.	.			trans	-70.6	169.3	178.3	74	0	0	0	0	113.1	C63 C66 L70 D90 C91 R92	C63-C88 HydrophobicContact CB-CB 4.14Å; C63-C88 PolarHBondContact SG-N 2.85Å; C63-C88 VanDerWaalsContact SG-SG 3.7Å; C66-C88 PolarHBondContact SG-SG 2.95Å; L70-C88 HydrophobicContact CD2-CB 3.72Å; C88-D90 PolarHBondContact O-N 3.45Å; C88-C91 PolarHBondContact O-N 2.64Å; C88-C91 VanDerWaalsContact SG-SG 3.68Å; C88-R92 PolarHBondContact O-N 2.95Å
89	R	84.4	Confident	83.2	Confident	179 Å²	179	70.1 Å²	70.1	68%	0.675	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28.4	-176.6	-67.5	-171.3	174.2	-158.3	0.5	112.9	R92	R89-R92 WeakPolarHBondContact O-CG 3.29Å
90	D	84.7	Confident	83.4	Confident	112 Å²	112	69 Å²	69	60%	0.599	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-93.1	-11.5	-173.8	-46	-79.9	0	0	0	112.3	C88 K103	C88-D90 PolarHBondContact O-N 3.45Å; D90-K103 WeakPolarHBondContact O-CE 3.13Å; D90-K103 PolarHBondContact O-NZ 2.75Å
91	C	86.4	Confident	83.7	Confident	18 Å²	18	71.8 Å²	71.8	12%	0.122	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-103	3.8	174.7	-76.2	0	0	0	0	113.8	R65 V87 C88 C102 K103	R65-C91 HydrophobicContact CB-CB 3.62Å; R65-C91 VanDerWaalsContact CB-SG 3.59Å; R65-C91 HydrophobicContact CG-CB 4.14Å; V87-C91 HydrophobicContact CG1-CB 3.36Å; V87-C91 WeakPolarHBondContact CG1-O 3.23Å; C88-C91 PolarHBondContact O-N 2.64Å; C88-C91 VanDerWaalsContact SG-SG 3.68Å; C91-C102 CarbonylContact O-C 3.5Å; C91-C102 VanDerWaalsContact O-CA 3.32Å; C91-C102 WeakPolarHBondContact O-CA 3.39Å; C91-K103 PolarHBondContact O-N 3.19Å
92	R	89.2	Confident	84	Confident	73 Å²	73	64.1 Å²	64.1	28%	0.275	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	160.3	170.5	58.7	176	-166.9	-172	10.8	112.7	C88 R89 W100 R101	C88-R92 PolarHBondContact O-N 2.95Å; R89-R92 WeakPolarHBondContact O-CG 3.29Å; R92-W100 HydrophobicContact CB-CD2 4Å; R92-W100 HydrophobicContact CB-CE3 3.3Å; R92-W100 HydrophobicContact CB-CZ3 3.76Å; R92-W100 HydrophobicContact CG-CE3 4.22Å; R92-R101 CarbonylContact C-O 3.42Å; R92-R101 VanDerWaalsContact CA-O 3.28Å; R92-R101 WeakPolarHBondContact CA-O 3.23Å
93	I	89.1	Confident	84.4	Confident	76 Å²	76	66.6 Å²	66.6	39%	0.39	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.8	168.4	-63.3	-172.7	0	0	0	106.2	W100 R101 K103 A106	I93-W100 VanDerWaalsContact O-CA 3.31Å; I93-W100 WeakPolarHBondContact O-CA 3.18Å; I93-W100 WeakPolarHBondContact O-CB 3.18Å; I93-R101 PolarHBondContact N-O 3.18Å; I93-R101 PolarHBondContact O-N 2.88Å; I93-K103 HydrophobicContact CD1-CG 3.99Å; I93-K103 HydrophobicContact CG1-CG 3.8Å; I93-A106 HydrophobicContact CB-CB 4.07Å; I93-A106 HydrophobicContact CD1-CB 3.85Å; I93-A106 HydrophobicContact CG1-CB 4.33Å; I93-A106 HydrophobicContact CG2-CB 4.42Å
94	Q	87.9	Confident	84.7	Confident	143 Å²	143	65.3 Å²	65.3	67%	0.668	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.6	179.3	-170.1	164.5	-20.7	0	0	109.9
95	E	81.9	Confident	84.9	Confident	51 Å²	51	60 Å²	60	24%	0.238	31%	0.309	C	S	.	.			trans	-93.3	155.4	175	-72.1	-178.5	-172.4	0	0	110.1	N97 G98 T99 R101	E95-N97 WeakPolarHBondContact CB-OD1 3.46Å; E95-N97 PolarHBondContact O-N 3.03Å; E95-N97 VanDerWaalsContact O-N 3.08Å; E95-N97 PolarHBondContact OE2-ND2 3.05Å; E95-G98 PolarHBondContact O-N 3.07Å; E95-T99 PolarHBondContact N-O 3.36Å; E95-T99 PolarHBondContact OE2-OG1 3.31Å; E95-R101 WeakPolarHBondContact OE1-CD 3.4Å; E95-R101 IonicContact OE1-CZ 2.86Å; E95-R101 IonicContact OE1-NE 3.87Å; E95-R101 PolarHBondContact OE1-NE 3.06Å; E95-R101 IonicContact OE1-NH2 3.9Å; E95-R101 PolarHBondContact OE1-NH2 2.8Å; E95-R101 IonicContact OE2-NH2 2.8Å
96	S	79.8	Confident	85.2	Confident	137 Å²	137	58.3 Å²	58.3	96%	0.958	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.4	178.9	50.3	0	0	0	0	114.3	G98	S96-G98 PolarHBondContact O-N 3.28Å
97	N	77.8	Confident	85.3	Confident	97 Å²	97	58.8 Å²	58.8	52%	0.519	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	10.8	173.7	60.1	26.8	0	0	0	113.7	E95 T99	E95-N97 WeakPolarHBondContact CB-OD1 3.46Å; E95-N97 PolarHBondContact O-N 3.03Å; E95-N97 VanDerWaalsContact O-N 3.08Å; E95-N97 PolarHBondContact OE2-ND2 3.05Å; N97-T99 PolarHBondContact O-N 2.89Å; N97-T99 WeakPolarHBondContact OD1-CA 3.46Å; N97-T99 VanDerWaalsContact OD1-CB 3.22Å; N97-T99 WeakPolarHBondContact OD1-CB 3.29Å; N97-T99 VanDerWaalsContact OD1-CG2 3.25Å; N97-T99 WeakPolarHBondContact OD1-CG2 3.13Å; N97-T99 PolarHBondContact OD1-N 2.82Å; N97-T99 PolarHBondContact OD1-OG1 3.1Å
98	G	78.3	Confident	85.2	Confident	57 Å²	57	62.4 Å²	62.4	59%	0.588	32%	0.322	S	S	*	.	S	Bend	trans	74.5	-3.3	-177.5	0	0	0	0	0	114.9	E95 S96	E95-G98 PolarHBondContact O-N 3.07Å; S96-G98 PolarHBondContact O-N 3.28Å
99	T	84	Confident	85	Confident	20 Å²	20	65 Å²	65	12%	0.123	34%	0.335	C	S	.	.			trans	-87.8	178	175.9	85	0	0	0	0	110.9	R81 E95 N97	R81-T99 VanDerWaalsContact CZ-CG2 3.49Å; R81-T99 VanDerWaalsContact NH1-CG2 3.33Å; E95-T99 PolarHBondContact N-O 3.36Å; E95-T99 PolarHBondContact OE2-OG1 3.31Å; N97-T99 PolarHBondContact O-N 2.89Å; N97-T99 WeakPolarHBondContact OD1-CA 3.46Å; N97-T99 VanDerWaalsContact OD1-CB 3.22Å; N97-T99 WeakPolarHBondContact OD1-CB 3.29Å; N97-T99 VanDerWaalsContact OD1-CG2 3.25Å; N97-T99 WeakPolarHBondContact OD1-CG2 3.13Å; N97-T99 PolarHBondContact OD1-N 2.82Å; N97-T99 PolarHBondContact OD1-OG1 3.1Å
100	W	88.9	Confident	84.9	Confident	33 Å²	33	60.1 Å²	60.1	13%	0.125	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.9	179.9	70.3	-96	0	0	0	112.6	N78 T79 C80 V87 R92 I93	N78-W100 VanDerWaalsContact C-CZ2 3.41Å; N78-W100 WeakPolarHBondContact O-CH2 3.33Å; T79-W100 VanDerWaalsContact C-CH2 3.43Å; T79-W100 WeakPolarHBondContact O-CZ2 3.49Å; C80-W100 HydrophobicContact CB-CH2 4.08Å; C80-W100 HydrophobicContact CB-CZ3 3.79Å; V87-W100 HydrophobicContact CB-CH2 4.16Å; V87-W100 HydrophobicContact CB-CZ3 4.11Å; V87-W100 HydrophobicContact CG1-CZ3 4.49Å; R92-W100 HydrophobicContact CB-CD2 4Å; R92-W100 HydrophobicContact CB-CE3 3.3Å; R92-W100 HydrophobicContact CB-CZ3 3.76Å; R92-W100 HydrophobicContact CG-CE3 4.22Å; I93-W100 VanDerWaalsContact O-CA 3.31Å; I93-W100 WeakPolarHBondContact O-CA 3.18Å; I93-W100 WeakPolarHBondContact O-CB 3.18Å
101	R	89.6	Confident	84.7	Confident	57 Å²	57	55.9 Å²	55.9	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163.3	170.9	-59.8	-170.7	-153.8	-99.9	-12.3	110.8	R81 R92 I93 E95 C105	R81-R101 HydrophobicContact CB-CG 4.47Å; R81-R101 PolarHBondContact O-NH1 3.37Å; R92-R101 CarbonylContact C-O 3.42Å; R92-R101 VanDerWaalsContact CA-O 3.28Å; R92-R101 WeakPolarHBondContact CA-O 3.23Å; I93-R101 PolarHBondContact N-O 3.18Å; I93-R101 PolarHBondContact O-N 2.88Å; E95-R101 WeakPolarHBondContact OE1-CD 3.4Å; E95-R101 IonicContact OE1-CZ 2.86Å; E95-R101 IonicContact OE1-NE 3.87Å; E95-R101 PolarHBondContact OE1-NE 3.06Å; E95-R101 IonicContact OE1-NH2 3.9Å; E95-R101 PolarHBondContact OE1-NH2 2.8Å; E95-R101 IonicContact OE2-NH2 2.8Å; R101-C105 HydrophobicContact CB-CB 4.19Å
102	C	88.8	Confident	84.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	153	175.2	77.5	0	0	0	0	111.6	R65 C80 V87 C91 V104 C105 A106	R65-C102 HydrophobicContact CG-CB 4.25Å; R65-C102 PolarHBondContact NE-SG 3.28Å; R65-C102 PolarHBondContact NH2-SG 2.93Å; C80-C102 HydrophobicContact CB-CB 4.22Å; C80-C102 PolarHBondContact SG-N 3Å; V87-C102 HydrophobicContact CB-CB 4.48Å; V87-C102 HydrophobicContact CG1-CB 4.04Å; V87-C102 HydrophobicContact CG2-CB 3.9Å; C91-C102 CarbonylContact O-C 3.5Å; C91-C102 VanDerWaalsContact O-CA 3.32Å; C91-C102 WeakPolarHBondContact O-CA 3.39Å; C102-V104 PolarHBondContact O-N 3.31Å; C102-V104 VanDerWaalsContact O-N 3.07Å; C102-C105 PolarHBondContact O-N 2.86Å; C102-C105 PolarHBondContact SG-SG 3.32Å; C102-A106 PolarHBondContact O-N 2.92Å
103	K	87.4	Confident	83.9	Confident	94 Å²	94	61 Å²	61	41%	0.409	32%	0.32	S	S	.	.	H	α-helix	trans	-46.7	-41.1	-179	-75.7	175.7	169.1	170.2	0	113.6	D90 C91 I93 K107	D90-K103 WeakPolarHBondContact O-CE 3.13Å; D90-K103 PolarHBondContact O-NZ 2.75Å; C91-K103 PolarHBondContact O-N 3.19Å; I93-K103 HydrophobicContact CD1-CG 3.99Å; I93-K103 HydrophobicContact CG1-CG 3.8Å; K103-K107 PolarHBondContact O-N 2.71Å
104	V	86.3	Confident	83.2	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-51	175.2	175.6	0	0	0	0	112.6	L43 I46 K47 C102 A106 K107 E108	L43-V104 HydrophobicContact CD1-CG1 4.44Å; I46-V104 HydrophobicContact CG2-CG2 3.8Å; K47-V104 HydrophobicContact CD-CG1 4.34Å; K47-V104 VanDerWaalsContact CE-CG1 3.47Å; K47-V104 HydrophobicContact CG-CG1 3.86Å; K47-V104 HydrophobicContact CG-CG2 4.41Å; C102-V104 PolarHBondContact O-N 3.31Å; C102-V104 VanDerWaalsContact O-N 3.07Å; V104-A106 VanDerWaalsContact C-N 3.32Å; V104-A106 PolarHBondContact O-N 2.88Å; V104-K107 PolarHBondContact O-N 3.46Å; V104-E108 WeakPolarHBondContact O-CB 3.35Å; V104-E108 PolarHBondContact O-N 3.05Å
105	C	85.3	Confident	82.5	Confident	14 Å²	14	53.3 Å²	53.3	10%	0.095	29%	0.288	C	S	.	.	H	α-helix	trans	-69.9	-31.4	-177.6	-64.9	0	0	0	0	112.2	R101 C102 E108 I109	R101-C105 HydrophobicContact CB-CB 4.19Å; C102-C105 PolarHBondContact O-N 2.86Å; C102-C105 PolarHBondContact SG-SG 3.32Å; C105-E108 PolarHBondContact O-N 3.19Å; C105-I109 WeakPolarHBondContact O-CG1 3.36Å; C105-I109 PolarHBondContact O-N 3.31Å
106	A	87.8	Confident	81.8	Confident	19 Å²	19	51.8 Å²	51.8	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-52.2	173.5	0	0	0	0	0	111.2	I93 C102 V104 E108 I109 E110	I93-A106 HydrophobicContact CB-CB 4.07Å; I93-A106 HydrophobicContact CD1-CB 3.85Å; I93-A106 HydrophobicContact CG1-CB 4.33Å; I93-A106 HydrophobicContact CG2-CB 4.42Å; C102-A106 PolarHBondContact O-N 2.92Å; V104-A106 VanDerWaalsContact C-N 3.32Å; V104-A106 PolarHBondContact O-N 2.88Å; A106-E108 VanDerWaalsContact C-N 3.25Å; A106-E108 PolarHBondContact O-N 2.77Å; A106-I109 PolarHBondContact O-N 2.92Å; A106-I109 VanDerWaalsContact O-N 3.14Å; A106-E110 WeakPolarHBondContact O-CB 3.25Å; A106-E110 PolarHBondContact O-N 2.87Å
107	K	83.9	Confident	81.1	Confident	43 Å²	43	49.5 Å²	49.5	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-27.1	175.1	-85.5	-85.9	169.5	-175.4	0	113.5	E42 L43 I46 K103 V104 E110 L111	E42-K107 WeakPolarHBondContact OE2-CE 3.29Å; E42-K107 IonicContact OE2-NZ 2.7Å; E42-K107 PolarHBondContact OE2-NZ 2.98Å; L43-K107 HydrophobicContact CD1-CB 4.01Å; I46-K107 HydrophobicContact CD1-CB 4.41Å; I46-K107 HydrophobicContact CD1-CD 4.33Å; I46-K107 HydrophobicContact CD1-CG 3.83Å; K103-K107 PolarHBondContact O-N 2.71Å; V104-K107 PolarHBondContact O-N 3.46Å; K107-E110 WeakPolarHBondContact CD-OE2 3.47Å; K107-E110 WeakPolarHBondContact CE-OE1 3.28Å; K107-E110 WeakPolarHBondContact CE-OE2 3.48Å; K107-E110 IonicContact NZ-OE1 3.51Å; K107-E110 PolarHBondContact NZ-OE1 2.77Å; K107-E110 IonicContact NZ-OE2 3.33Å; K107-E110 PolarHBondContact NZ-OE2 2.95Å; K107-L111 WeakPolarHBondContact O-CB 3.03Å; K107-L111 PolarHBondContact O-N 2.72Å
108	E	82.2	Confident	80.4	Confident	75 Å²	75	52.6 Å²	52.6	35%	0.35	27%	0.268	S	S	.	.	H	α-helix	trans	-72.4	-37	173.2	-168	161.9	146.2	0	0	112.7	L43 K47 V104 C105 A106 K112	L43-E108 HydrophobicContact CD1-CB 4.23Å; L43-E108 HydrophobicContact CD2-CB 4.24Å; L43-E108 HydrophobicContact CD2-CG 4.29Å; K47-E108 WeakPolarHBondContact CE-OE2 3.24Å; K47-E108 IonicContact NZ-OE2 2.63Å; K47-E108 PolarHBondContact NZ-OE2 2.84Å; V104-E108 WeakPolarHBondContact O-CB 3.35Å; V104-E108 PolarHBondContact O-N 3.05Å; C105-E108 PolarHBondContact O-N 3.19Å; A106-E108 VanDerWaalsContact C-N 3.25Å; A106-E108 PolarHBondContact O-N 2.77Å; E108-K112 WeakPolarHBondContact O-CG 3.16Å; E108-K112 PolarHBondContact O-N 2.91Å; E108-K112 VanDerWaalsContact O-N 3.07Å
109	I	81.8	Confident	78.8	Confident	60 Å²	60	57 Å²	57	31%	0.308	27%	0.271	S	S	.	.	H	α-helix	trans	-70.3	-39.3	170.9	-69.1	165.5	0	0	0	110.8	C105 A106 K112 K113	C105-I109 WeakPolarHBondContact O-CG1 3.36Å; C105-I109 PolarHBondContact O-N 3.31Å; A106-I109 PolarHBondContact O-N 2.92Å; A106-I109 VanDerWaalsContact O-N 3.14Å; I109-K112 PolarHBondContact O-N 2.88Å; I109-K113 HydrophobicContact CG2-CD 4.32Å; I109-K113 WeakPolarHBondContact O-CG 3.34Å; I109-K113 PolarHBondContact O-N 3.24Å
110	E	82.8	Confident	77.4	Confident	76 Å²	76	62.1 Å²	62.1	36%	0.355	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-45.4	174	-169.3	-169.4	135.3	0	0	111.4	L39 A106 K107 K113 A114	L39-E110 WeakPolarHBondContact CD2-OE1 3.49Å; A106-E110 WeakPolarHBondContact O-CB 3.25Å; A106-E110 PolarHBondContact O-N 2.87Å; K107-E110 WeakPolarHBondContact CD-OE2 3.47Å; K107-E110 WeakPolarHBondContact CE-OE1 3.28Å; K107-E110 WeakPolarHBondContact CE-OE2 3.48Å; K107-E110 IonicContact NZ-OE1 3.51Å; K107-E110 PolarHBondContact NZ-OE1 2.77Å; K107-E110 IonicContact NZ-OE2 3.33Å; K107-E110 PolarHBondContact NZ-OE2 2.95Å; E110-K113 WeakPolarHBondContact O-CB 3.07Å; E110-K113 PolarHBondContact O-N 3Å; E110-A114 VanDerWaalsContact O-CB 3.25Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 2.83Å
111	L	80.6	Confident	75.2	Confident	24 Å²	24	65.6 Å²	65.6	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-46.5	173.6	179.5	62.8	0	0	0	111.4	L39 K40 L43 K107 K113 A114 T115	L39-L111 HydrophobicContact CB-CD1 3.97Å; K40-L111 HydrophobicContact CG-CD1 3.84Å; K40-L111 HydrophobicContact CG-CD2 3.91Å; L43-L111 HydrophobicContact CD2-CD2 3.64Å; K107-L111 WeakPolarHBondContact O-CB 3.03Å; K107-L111 PolarHBondContact O-N 2.72Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.49Å; L111-A114 WeakPolarHBondContact O-CB 3.39Å; L111-A114 PolarHBondContact O-N 3.12Å; L111-A114 VanDerWaalsContact O-N 3.16Å; L111-T115 HydrophobicContact CD1-CG2 3.94Å; L111-T115 HydrophobicContact CG-CG2 4.46Å; L111-T115 WeakPolarHBondContact O-CG2 3.17Å; L111-T115 PolarHBondContact O-N 3.08Å; L111-T115 PolarHBondContact O-OG1 2.98Å
112	K	78.6	Confident	72.8	Confident	60 Å²	60	71.9 Å²	71.9	26%	0.261	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-37.3	176.2	-75.9	-171.6	175.1	-163.1	0	113.1	E108 I109 T115 G116 D117 W118	E108-K112 WeakPolarHBondContact O-CG 3.16Å; E108-K112 PolarHBondContact O-N 2.91Å; E108-K112 VanDerWaalsContact O-N 3.07Å; I109-K112 PolarHBondContact O-N 2.88Å; K112-T115 PolarHBondContact O-OG1 2.85Å; K112-G116 CarbonylContact O-C 3.59Å; K112-G116 PolarHBondContact O-N 2.96Å; K112-D117 HydrophobicContact CB-CB 4.26Å; K112-D117 HydrophobicContact CG-CB 4.13Å; K112-D117 PolarHBondContact O-N 2.82Å; K112-D117 VanDerWaalsContact O-N 3.11Å; K112-W118 HydrophobicContact CB-CB 4.35Å; K112-W118 PolarHBondContact O-N 2.73Å
113	K	79.6	Confident	70.2	Confident	138 Å²	138	80.5 Å²	80.5	60%	0.6	38%	0.379	S	S	*	.	H	α-helix	trans	-63.8	-47.6	172.5	-76	177.6	175.8	-173.8	0	110.8	I109 E110 L111 T115 G116 W118	I109-K113 HydrophobicContact CG2-CD 4.32Å; I109-K113 WeakPolarHBondContact O-CG 3.34Å; I109-K113 PolarHBondContact O-N 3.24Å; E110-K113 WeakPolarHBondContact O-CB 3.07Å; E110-K113 PolarHBondContact O-N 3Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.49Å; K113-T115 VanDerWaalsContact C-N 3.33Å; K113-T115 PolarHBondContact O-N 3.27Å; K113-G116 PolarHBondContact O-N 2.85Å; K113-W118 HydrophobicContact CG-CB 4.47Å; K113-W118 HydrophobicContact CG-CG 4.42Å
114	A	73.8	Confident	68.3	Low	19 Å²	19	82.3 Å²	82.3	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-65.4	-28	-178.7	0	0	0	0	0	114.6	R35 L39 E110 L111	R35-A114 PolarHBondContact NH2-O 3.01Å; L39-A114 HydrophobicContact CD1-CB 3.53Å; E110-A114 VanDerWaalsContact O-CB 3.25Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 2.83Å; L111-A114 WeakPolarHBondContact O-CB 3.39Å; L111-A114 PolarHBondContact O-N 3.12Å; L111-A114 VanDerWaalsContact O-N 3.16Å
115	T	73.1	Confident	66.1	Low	38 Å²	38	89.1 Å²	89.1	23%	0.233	43%	0.434	C	S	.	.	H	α-helix	trans	-96.7	-7.9	179.6	53.5	0	0	0	0	114.2	I36 L111 K112 K113 D117	I36-T115 HydrophobicContact CD1-CG2 4.13Å; I36-T115 HydrophobicContact CG1-CG2 4.15Å; I36-T115 HydrophobicContact CG2-CG2 3.98Å; L111-T115 HydrophobicContact CD1-CG2 3.94Å; L111-T115 HydrophobicContact CG-CG2 4.46Å; L111-T115 WeakPolarHBondContact O-CG2 3.17Å; L111-T115 PolarHBondContact O-N 3.08Å; L111-T115 PolarHBondContact O-OG1 2.98Å; K112-T115 PolarHBondContact O-OG1 2.85Å; K113-T115 VanDerWaalsContact C-N 3.33Å; K113-T115 PolarHBondContact O-N 3.27Å; T115-D117 WeakPolarHBondContact CB-OD2 3.25Å; T115-D117 PolarHBondContact O-N 2.83Å; T115-D117 WeakPolarHBondContact OG1-CB 3.46Å; T115-D117 PolarHBondContact OG1-N 2.81Å; T115-D117 PolarHBondContact OG1-OD2 3.35Å
116	G	67.8	Low	64.1	Low	20 Å²	20	97.9 Å²	97.9	21%	0.206	47%	0.465	C	S	.	.	S	Bend	trans	81.1	-10.9	-169.5	0	0	0	0	0	114.5	K112 K113 W118 F119 Y120	K112-G116 CarbonylContact O-C 3.59Å; K112-G116 PolarHBondContact O-N 2.96Å; K113-G116 PolarHBondContact O-N 2.85Å; G116-W118 PolarHBondContact O-N 2.71Å; G116-F119 PolarHBondContact O-N 2.8Å; G116-Y120 VanDerWaalsContact O-CD2 3.22Å; G116-Y120 WeakPolarHBondContact O-CD2 3.13Å
117	D	65.8	Low	61.6	Low	88 Å²	88	105.6 Å²	105.6	47%	0.471	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.9	179.1	-66	-33.4	0	0	0	113.8	K112 T115 F119	K112-D117 HydrophobicContact CB-CB 4.26Å; K112-D117 HydrophobicContact CG-CB 4.13Å; K112-D117 PolarHBondContact O-N 2.82Å; K112-D117 VanDerWaalsContact O-N 3.11Å; T115-D117 WeakPolarHBondContact CB-OD2 3.25Å; T115-D117 PolarHBondContact O-N 2.83Å; T115-D117 WeakPolarHBondContact OG1-CB 3.46Å; T115-D117 PolarHBondContact OG1-N 2.81Å; T115-D117 PolarHBondContact OG1-OD2 3.35Å; D117-F119 PolarHBondContact O-N 2.73Å
118	W	61.1	Low	59.3	Low	163 Å²	163	107 Å²	107	62%	0.617	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.1	172.7	74.4	-79.9	0	0	0	114.5	K112 K113 G116	K112-W118 HydrophobicContact CB-CB 4.35Å; K112-W118 PolarHBondContact O-N 2.73Å; K113-W118 HydrophobicContact CG-CB 4.47Å; K113-W118 HydrophobicContact CG-CG 4.42Å; G116-W118 PolarHBondContact O-N 2.71Å
119	F	46	Very low	57.2	Low	150 Å²	150	110.2 Å²	110.2	66%	0.658	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-21	-175.4	-170.1	-104.1	0	0	0	113.5	G116 D117	G116-F119 PolarHBondContact O-N 2.8Å; D117-F119 PolarHBondContact O-N 2.73Å
120	Y	53.6	Low	55.8	Low	126 Å²	126	114.3 Å²	114.3	49%	0.494	54%	0.537	S	S	.	.			trans	-89	-4.7	-169.7	-68.1	-73.4	0	0	0	115.8	G116 Q122	G116-Y120 VanDerWaalsContact O-CD2 3.22Å; G116-Y120 WeakPolarHBondContact O-CD2 3.13Å; Y120-Q122 PolarHBondContact O-N 3.22Å
121	D	43	Very low	54.7	Low	107 Å²	107	113.7 Å²	113.7	57%	0.572	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	3.1	-175.2	-130.5	3.8	0	0	0	114.1
122	Q	39.3	Very low	54	Low	188 Å²	188	114.7 Å²	114.7	88%	0.879	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	-8.4	176.4	-81	-159.3	-5.1	0	0	117.4	Y120	Y120-Q122 PolarHBondContact O-N 3.22Å
123	K	35.2	Very low	53.5	Low	181 Å²	181	112.6 Å²	112.6	79%	0.787	55%	0.547	S	S	*	.			trans	-135.5	124.2	174.4	-77.1	-169.4	177.1	179	0	112.9
124	V	46.5	Very low	52.9	Low	132 Å²	132	108.6 Å²	108.6	80%	0.8	53%	0.531	S	S	*	.			trans	-80.9	153.3	175.8	-175.3	0	0	0	0	109.9
125	N	41	Very low	52.9	Low	150 Å²	150	110.5 Å²	110.5	80%	0.802	54%	0.538	S	S	*	.			trans	65.2	80.4	172.2	-73.7	-0.4	0	0	0	118
126	R	43.4	Very low	53	Low	199 Å²	199	111 Å²	111	75%	0.751	54%	0.539	S	S	*	.				-160.8	134.4	128.1	-105.3	170.3	171.9	103.9	-6.6	106.5
127	F	33.7	Very low	53.3	Low	180 Å²	180	112.1 Å²	112.1	79%	0.789	54%	0.537	S	S	*	.			cis	-126	163.8	10.5	-62.2	-98.9	0	0	0	111.4
128	A	36.3	Very low	53.5	Low	73 Å²	73	111.2 Å²	111.2	60%	0.603	53%	0.531	S	S	*	.			trans	-127.7	156.6	172.1	0	0	0	0	0	110.3
129	Y	37.4	Very low	54.3	Low	143 Å²	143	103.8 Å²	103.8	56%	0.561	50%	0.504	S	S	*	.	S	Bend	trans	53.5	90.5	172.5	-71.7	-74.1	0	0	0	117.5	Q407	Y129-Q407 VanDerWaalsContact CD2-NE2 3.28Å; Y129-Q407 HydrophobicContact CE2-CB 3.83Å; Y129-Q407 HydrophobicContact CE2-CG 4.22Å; Y129-Q407 VanDerWaalsContact CE2-NE2 3.28Å; Y129-Q407 VanDerWaalsContact OH-CB 3.28Å; Y129-Q407 WeakPolarHBondContact OH-CB 3.43Å
130	R	52.3	Low	55.6	Low	146 Å²	146	98.6 Å²	98.6	55%	0.551	48%	0.482	S	S	*	.			trans	65.5	152.7	170.5	-57.8	177.1	-177.7	-94.7	3.6	113.5	E134 L135 M138	R130-E134 HydrophobicContact CB-CB 4.17Å; R130-L135 HydrophobicContact CB-CD1 4.41Å; R130-L135 HydrophobicContact CB-CG 4.28Å; R130-M138 PolarHBondContact NH1-SD 3.39Å
131	T	61.5	Low	56.3	Low	62 Å²	62	101.9 Å²	101.9	38%	0.38	49%	0.494	S	S	.	.			trans	-73.7	149.7	158.7	54.1	0	0	0	0	107.7	S133 E134	T131-S133 WeakPolarHBondContact CB-OG 3.24Å; T131-S133 PolarHBondContact O-N 2.89Å; T131-S133 VanDerWaalsContact O-N 3.1Å; T131-S133 PolarHBondContact OG1-OG 3.29Å; T131-E134 PolarHBondContact O-N 3.26Å
132	G	65.3	Low	57.3	Low	46 Å²	46	102.5 Å²	102.5	47%	0.474	49%	0.493	S	S	.	.	H	α-helix	trans	-54.8	-30.5	173.9	0	0	0	0	0	112	E134 L135 I136	G132-E134 VanDerWaalsContact C-N 3.35Å; G132-E134 PolarHBondContact O-N 3.39Å; G132-L135 PolarHBondContact O-N 3.14Å; G132-I136 WeakPolarHBondContact O-CG1 3.39Å; G132-I136 PolarHBondContact O-N 3.19Å
133	S	67.6	Low	58	Low	15 Å²	15	102.6 Å²	102.6	11%	0.105	49%	0.491	C	S	.	.	H	α-helix	trans	-59.7	-35.2	173.4	45.1	0	0	0	0	114.4	L22 D25 T131 R137	L22-S133 VanDerWaalsContact CD2-CA 3.45Å; D25-S133 WeakPolarHBondContact OD2-CB 3.06Å; D25-S133 PolarHBondContact OD2-OG 2.67Å; T131-S133 WeakPolarHBondContact CB-OG 3.24Å; T131-S133 PolarHBondContact O-N 2.89Å; T131-S133 VanDerWaalsContact O-N 3.1Å; T131-S133 PolarHBondContact OG1-OG 3.29Å; S133-R137 WeakPolarHBondContact O-CB 3.5Å; S133-R137 PolarHBondContact O-N 3.42Å
134	E	67.4	Low	58.5	Low	55 Å²	55	98.6 Å²	98.6	26%	0.257	48%	0.483	S	S	.	.	H	α-helix	trans	-70.1	-41	173.8	-68.2	-52.3	124.4	0	0	112.7	R130 T131 G132 R137 M138	R130-E134 HydrophobicContact CB-CB 4.17Å; T131-E134 PolarHBondContact O-N 3.26Å; G132-E134 VanDerWaalsContact C-N 3.35Å; G132-E134 PolarHBondContact O-N 3.39Å; E134-R137 PolarHBondContact O-N 2.96Å; E134-R137 IonicContact OE1-CZ 3.22Å; E134-R137 IonicContact OE1-NH1 2.68Å; E134-R137 PolarHBondContact OE1-NH1 2.76Å; E134-R137 IonicContact OE1-NH2 3.96Å; E134-R137 PolarHBondContact OE1-NH2 3.38Å; E134-R137 IonicContact OE2-CZ 3.18Å; E134-R137 IonicContact OE2-NH1 3.03Å; E134-R137 PolarHBondContact OE2-NH1 3.01Å; E134-M138 WeakPolarHBondContact O-CG 3.34Å; E134-M138 PolarHBondContact O-N 3.3Å
135	L	74.3	Confident	58.1	Low	59 Å²	59	97.2 Å²	97.2	31%	0.309	49%	0.485	S	S	.	.	H	α-helix	trans	-63.9	-45	-180	-77.2	160.8	0	0	0	111.1	R130 G132 M138 S139	R130-L135 HydrophobicContact CB-CD1 4.41Å; R130-L135 HydrophobicContact CB-CG 4.28Å; G132-L135 PolarHBondContact O-N 3.14Å; L135-M138 PolarHBondContact O-N 3.11Å; L135-S139 WeakPolarHBondContact O-CB 3.46Å; L135-S139 PolarHBondContact O-N 3.42Å; L135-S139 PolarHBondContact O-OG 3.4Å
136	I	74.1	Confident	58.2	Low	49 Å²	49	96.3 Å²	96.3	25%	0.251	49%	0.485	S	S	.	.	H	α-helix	trans	-64.1	-45.2	175.3	-59.2	162.9	0	0	0	110.2	L5 L7 I18 L22 G132 M138 S139 L140	L5-I136 HydrophobicContact CD1-CG1 4.12Å; L7-I136 HydrophobicContact CD1-CG2 4.12Å; I18-I136 HydrophobicContact CG2-CG2 3.78Å; L22-I136 HydrophobicContact CD1-CB 4.2Å; L22-I136 HydrophobicContact CD1-CG2 3.8Å; G132-I136 WeakPolarHBondContact O-CG1 3.39Å; G132-I136 PolarHBondContact O-N 3.19Å; I136-M138 VanDerWaalsContact C-N 3.29Å; I136-M138 PolarHBondContact O-N 2.9Å; I136-S139 PolarHBondContact O-N 2.77Å; I136-S139 VanDerWaalsContact O-N 3.14Å; I136-L140 HydrophobicContact CG2-CD1 3.85Å; I136-L140 HydrophobicContact CG2-CG 4.15Å; I136-L140 WeakPolarHBondContact O-CG 3.39Å; I136-L140 PolarHBondContact O-N 2.87Å
137	R	75	Confident	57.9	Low	42 Å²	42	91 Å²	91	16%	0.158	48%	0.478	C	S	.	.	H	α-helix	trans	-67.6	-23.7	-179.5	-131.8	-174.1	-51.9	101	-5.6	114.2	L19 L22 E26 S133 E134 R141	L19-R137 HydrophobicContact CD2-CG 4.45Å; L22-R137 HydrophobicContact CD1-CB 4.31Å; L22-R137 HydrophobicContact CD1-CG 4.11Å; E26-R137 IonicContact OE2-NH2 3.54Å; S133-R137 WeakPolarHBondContact O-CB 3.5Å; S133-R137 PolarHBondContact O-N 3.42Å; E134-R137 PolarHBondContact O-N 2.96Å; E134-R137 IonicContact OE1-CZ 3.22Å; E134-R137 IonicContact OE1-NH1 2.68Å; E134-R137 PolarHBondContact OE1-NH1 2.76Å; E134-R137 IonicContact OE1-NH2 3.96Å; E134-R137 PolarHBondContact OE1-NH2 3.38Å; E134-R137 IonicContact OE2-CZ 3.18Å; E134-R137 IonicContact OE2-NH1 3.03Å; E134-R137 PolarHBondContact OE2-NH1 3.01Å; R137-R141 VanDerWaalsContact O-CD 3.28Å; R137-R141 WeakPolarHBondContact O-CD 3.5Å; R137-R141 VanDerWaalsContact O-CG 3.3Å; R137-R141 WeakPolarHBondContact O-CG 3.21Å
138	M	70.5	Confident	58.6	Low	70 Å²	70	92.1 Å²	92.1	35%	0.345	48%	0.483	S	S	.	.	H	α-helix	trans	-77.3	-42.6	169.2	-75.3	-177.3	60.9	0	0	111.7	L4 R130 E134 L135 I136 R141	L4-M138 HydrophobicContact CD2-CB 3.91Å; L4-M138 HydrophobicContact CD2-CE 4.43Å; R130-M138 PolarHBondContact NH1-SD 3.39Å; E134-M138 WeakPolarHBondContact O-CG 3.34Å; E134-M138 PolarHBondContact O-N 3.3Å; L135-M138 PolarHBondContact O-N 3.11Å; I136-M138 VanDerWaalsContact C-N 3.29Å; I136-M138 PolarHBondContact O-N 2.9Å; M138-R141 PolarHBondContact O-N 3.42Å
139	S	77.9	Confident	59.2	Low	7 Å²	7	99.1 Å²	99.1	5%	0.049	49%	0.494	C	S	.	.	H	α-helix	trans	-64	-45.7	-179.2	-54.7	0	0	0	0	111.6	L5 L135 I136 R141 H142	L5-S139 PolarHBondContact N-OG 3.07Å; L5-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 WeakPolarHBondContact O-CB 3.46Å; L135-S139 PolarHBondContact O-N 3.42Å; L135-S139 PolarHBondContact O-OG 3.4Å; I136-S139 PolarHBondContact O-N 2.77Å; I136-S139 VanDerWaalsContact O-N 3.14Å; S139-R141 PolarHBondContact O-N 3.43Å; S139-R141 VanDerWaalsContact O-N 3.11Å; S139-H142 PolarHBondContact O-N 3.23Å
140	L	72.9	Confident	59.4	Low	40 Å²	40	99.3 Å²	99.3	21%	0.209	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.3	175	-69.9	176.2	0	0	0	114.6	L7 K15 I18 L19 L22 I136	L7-L140 HydrophobicContact CB-CD2 4.28Å; L7-L140 HydrophobicContact CD1-CD2 3.65Å; L7-L140 HydrophobicContact CD1-CG 3.73Å; K15-L140 HydrophobicContact CB-CD2 4.2Å; K15-L140 HydrophobicContact CD-CD2 4.39Å; K15-L140 HydrophobicContact CG-CD2 3.75Å; I18-L140 HydrophobicContact CG2-CD1 3.91Å; L19-L140 HydrophobicContact CD2-CD1 3.81Å; L19-L140 HydrophobicContact CG-CD1 4.02Å; L22-L140 HydrophobicContact CD1-CD1 4.19Å; I136-L140 HydrophobicContact CG2-CD1 3.85Å; I136-L140 HydrophobicContact CG2-CG 4.15Å; I136-L140 WeakPolarHBondContact O-CG 3.39Å; I136-L140 PolarHBondContact O-N 2.87Å
141	R	67.9	Low	59.7	Low	196 Å²	196	97 Å²	97	74%	0.74	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-9.9	176.9	-72.3	174.2	-176.1	-96	-5.2	113.2	R137 M138 S139 K143	R137-R141 VanDerWaalsContact O-CD 3.28Å; R137-R141 WeakPolarHBondContact O-CD 3.5Å; R137-R141 VanDerWaalsContact O-CG 3.3Å; R137-R141 WeakPolarHBondContact O-CG 3.21Å; M138-R141 PolarHBondContact O-N 3.42Å; S139-R141 PolarHBondContact O-N 3.43Å; S139-R141 VanDerWaalsContact O-N 3.11Å; R141-K143 PolarHBondContact O-N 2.92Å
142	H	64.3	Low	59.3	Low	119 Å²	119	99.7 Å²	99.7	55%	0.551	52%	0.518	S	S	*	.			trans	-92.5	88.1	-176.2	-172.3	-78.4	0	0	0	111.1	L4 S139	L4-H142 HydrophobicContact CD1-CB 3.98Å; S139-H142 PolarHBondContact O-N 3.23Å
143	K	54.5	Low	58.6	Low	191 Å²	191	99.6 Å²	99.6	83%	0.83	52%	0.517	S	S	*	.			trans	-64.6	128	167.3	-69.4	-167.2	173.8	-168	0	109.2	R141	R141-K143 PolarHBondContact O-N 2.92Å
144	P	45.3	Very low	57.9	Low	97 Å²	97	103.9 Å²	103.9	63%	0.63	54%	0.536	S	S	*	.			trans	-61.7	146.4	172.4	26.9	-33.7	0	0	0	110.1	V146	P144-V146 PolarHBondContact O-N 3.49Å; P144-V146 VanDerWaalsContact O-N 3.11Å
145	A	38.2	Very low	56.8	Low	102 Å²	102	104.6 Å²	104.6	84%	0.843	55%	0.547	S	S	*	.			trans	-70.2	108.3	179.1	0	0	0	0	0	109.9	S147	A145-S147 PolarHBondContact O-N 2.56Å
146	V	43.3	Very low	55.6	Low	131 Å²	131	106.8 Å²	106.8	79%	0.794	56%	0.558	S	S	*	*			trans	-63.1	109.7	179.1	-179.8	0	0	0	0	109.6	P144 K148	P144-V146 PolarHBondContact O-N 3.49Å; P144-V146 VanDerWaalsContact O-N 3.11Å; V146-K148 PolarHBondContact O-N 3.26Å
147	S	36.8	Very low	54.3	Low	88 Å²	88	110.1 Å²	110.1	62%	0.615	58%	0.576	S	S	*	*			trans	-63.6	120	173	-177.5	0	0	0	0	109.7	A145 R149	A145-S147 PolarHBondContact O-N 2.56Å; S147-R149 PolarHBondContact O-N 3.12Å
148	K	47.6	Very low	52.8	Low	204 Å²	204	115.6 Å²	115.6	89%	0.887	60%	0.603	S	S	*	*	S	Bend	trans	-77.5	59.2	176.7	-77.2	-169.7	173.5	-176.7	0	112.2	V146	V146-K148 PolarHBondContact O-N 3.26Å
149	R	50	Low	51.4	Low	219 Å²	219	119.6 Å²	119.6	83%	0.826	62%	0.621	S	S	*	*			trans	176.4	82	155.7	-102.1	166.2	179.1	-177.7	-0.7	109.5	S147	S147-R149 PolarHBondContact O-N 3.12Å
150	E	41.6	Very low	49.6	Very low	148 Å²	148	124.4 Å²	124.4	69%	0.692	65%	0.65	S	S	*	*			trans	-92.1	132	151	-68	-171.9	136.7	0	0	107.8
151	T	58.6	Low	48.2	Very low	98 Å²	98	130.5 Å²	130.5	60%	0.601	68%	0.678	S	S	*	*			trans	-99.3	146	178.2	-37.3	0	0	0	0	108.4	G153 Q154	T151-G153 PolarHBondContact O-N 3.32Å; T151-Q154 VanDerWaalsContact N-OE1 3.09Å; T151-Q154 WeakPolarHBondContact O-CB 3.2Å; T151-Q154 PolarHBondContact O-N 3.05Å
152	V	52.5	Low	46.8	Very low	117 Å²	117	129.8 Å²	129.8	71%	0.709	69%	0.685	S	S	*	*	H	α-helix	trans	-49.8	-31.7	-171.6	-180	0	0	0	0	114.2	Q154	V152-Q154 VanDerWaalsContact C-N 3.34Å; V152-Q154 PolarHBondContact O-N 2.95Å
153	G	49.6	Very low	45.4	Very low	45 Å²	45	127 Å²	127	46%	0.464	69%	0.688	S	S	.	*	H	α-helix	trans	-66.8	-23.3	175.4	0	0	0	0	0	115.9	T151 L157	T151-G153 PolarHBondContact O-N 3.32Å; G153-L157 WeakPolarHBondContact O-CG 3.5Å; G153-L157 PolarHBondContact O-N 3.45Å
154	Q	52.6	Low	44.8	Very low	104 Å²	104	125.3 Å²	125.3	49%	0.486	69%	0.688	S	S	.	*	H	α-helix	trans	-76.8	-39.7	-179.9	-70.9	173	-71.4	0	0	112	T151 V152 L156 L157 H158	T151-Q154 VanDerWaalsContact N-OE1 3.09Å; T151-Q154 WeakPolarHBondContact O-CB 3.2Å; T151-Q154 PolarHBondContact O-N 3.05Å; V152-Q154 VanDerWaalsContact C-N 3.34Å; V152-Q154 PolarHBondContact O-N 2.95Å; Q154-L156 VanDerWaalsContact C-N 3.29Å; Q154-L156 PolarHBondContact O-N 3.28Å; Q154-L157 PolarHBondContact O-N 3.44Å; Q154-H158 PolarHBondContact O-N 2.71Å
155	S	45.1	Very low	44.4	Very low	71 Å²	71	128 Å²	128	50%	0.497	70%	0.695	S	S	.	*	H	α-helix	trans	-61.5	-38.1	176.6	-48.9	0	0	0	0	112.1	Q159	S155-Q159 PolarHBondContact O-N 3.01Å
156	L	48.9	Very low	43.9	Very low	104 Å²	104	134 Å²	134	55%	0.545	70%	0.696	S	S	.	*	H	α-helix	trans	-69.4	-35.8	-179.4	-67.8	169.6	0	0	0	112.9	Q154 Q159 T160	Q154-L156 VanDerWaalsContact C-N 3.29Å; Q154-L156 PolarHBondContact O-N 3.28Å; L156-Q159 PolarHBondContact O-N 2.99Å; L156-T160 PolarHBondContact O-OG1 3.33Å
157	L	46.7	Very low	43.4	Very low	119 Å²	119	133.5 Å²	133.5	62%	0.623	70%	0.696	S	S	*	*	H	α-helix	trans	-71.1	-36.3	177.2	-71.4	169.8	0	0	0	112.5	G153 Q154 Q159 T160	G153-L157 WeakPolarHBondContact O-CG 3.5Å; G153-L157 PolarHBondContact O-N 3.45Å; Q154-L157 PolarHBondContact O-N 3.44Å; L157-Q159 VanDerWaalsContact C-N 3.28Å; L157-Q159 PolarHBondContact O-N 2.97Å; L157-T160 PolarHBondContact O-N 3.46Å; L157-T160 PolarHBondContact O-OG1 2.97Å
158	H	44.7	Very low	43.4	Very low	158 Å²	158	132.8 Å²	132.8	73%	0.731	70%	0.703	S	S	*	*	H	α-helix	trans	-67.9	-29.4	174.8	-117.5	-79.1	0	0	0	112.6	Q154 T160	Q154-H158 PolarHBondContact O-N 2.71Å; H158-T160 VanDerWaalsContact C-N 3.25Å; H158-T160 PolarHBondContact O-N 2.81Å
159	Q	40.7	Very low	42.6	Very low	154 Å²	154	134.7 Å²	134.7	72%	0.72	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-18.4	177.8	-163.6	170.2	18.4	0	0	113.3	S155 L156 L157	S155-Q159 PolarHBondContact O-N 3.01Å; L156-Q159 PolarHBondContact O-N 2.99Å; L157-Q159 VanDerWaalsContact C-N 3.28Å; L157-Q159 PolarHBondContact O-N 2.97Å
160	T	38.9	Very low	41.7	Very low	107 Å²	107	134 Å²	134	66%	0.656	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-6.2	-174.9	-1.6	0	0	0	0	115.1	L156 L157 H158	L156-T160 PolarHBondContact O-OG1 3.33Å; L157-T160 PolarHBondContact O-N 3.46Å; L157-T160 PolarHBondContact O-OG1 2.97Å; H158-T160 VanDerWaalsContact C-N 3.25Å; H158-T160 PolarHBondContact O-N 2.81Å
161	Q	44.1	Very low	41.1	Very low	169 Å²	169	134.6 Å²	134.6	79%	0.79	71%	0.714	S	S	*	*	S	Bend	trans	-109.1	-8.6	-174.6	-63.4	-168.6	9	0	0	115	G163	Q161-G163 VanDerWaalsContact C-N 3.25Å; Q161-G163 PolarHBondContact O-N 3.14Å
162	M	38.9	Very low	39.7	Very low	180 Å²	180	137.7 Å²	137.7	89%	0.887	73%	0.725	S	S	*	*	S	Bend	trans	-95	39.4	172.1	-70.7	-66.9	-68	0	0	111.4
163	G	34.6	Very low	38.6	Very low	60 Å²	60	139.7 Å²	139.7	62%	0.619	73%	0.726	S	S	*	*	S	Bend	trans	-121.8	12.9	-165.9	0	0	0	0	0	115.7	Q161	Q161-G163 VanDerWaalsContact C-N 3.25Å; Q161-G163 PolarHBondContact O-N 3.14Å
164	D	42	Very low	37.5	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	75%	0.748	S	S	*	*			trans	-156.4	168	172.6	-114.6	-40	0	0	0	111.8
165	I	37	Very low	36.3	Very low	152 Å²	152	152.6 Å²	152.6	78%	0.779	77%	0.765	S	S	*	*	S	Bend	trans	68.2	64.1	-179.8	-36.4	174	0	0	0	115.5
166	W	27	Very low	35.5	Very low	228 Å²	228	158.3 Å²	158.3	86%	0.864	78%	0.784	S	S	*	*				-171.5	116.6	105.7	-154.3	-69.5	0	0	0	111.7
167	P	33.8	Very low	34.4	Very low	121 Å²	121	165.1 Å²	165.1	79%	0.786	80%	0.803	S	S	*	*			trans	-82.2	121.9	177	31.6	-32.2	0	0	0	111.6
168	G	35.3	Very low	33.4	Very low	74 Å²	74	168.3 Å²	168.3	76%	0.763	81%	0.814	S	S	*	*			trans	140	75.8	156.8	0	0	0	0	0	118.7
169	R	31.2	Very low	33.1	Very low	243 Å²	243	166 Å²	166	92%	0.917	81%	0.813	S	S	*	*			trans	-148.2	116.5	140.5	-112	168.7	-164.2	-102	-1.6	110.3	I171	R169-I171 PolarHBondContact O-N 2.81Å
170	K	31.3	Very low	32.4	Very low	205 Å²	205	163.6 Å²	163.6	89%	0.891	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.1	122	172.7	-66.6	-178.2	179.1	-178.7	0	108.5	I172	K170-I172 PolarHBondContact O-N 2.9Å
171	I	28.9	Very low	31.9	Very low	161 Å²	161	164.5 Å²	164.5	83%	0.826	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.3	119.2	163.1	-63.4	171.9	0	0	0	106.7	R169	R169-I171 PolarHBondContact O-N 2.81Å
172	I	29.4	Very low	30.9	Very low	162 Å²	162	163.2 Å²	163.2	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-94.2	118	161.1	-66.5	-179.8	0	0	0	105.9	K170	K170-I172 PolarHBondContact O-N 2.9Å
173	Q	29.2	Very low	30.3	Very low	159 Å²	159	163 Å²	163	74%	0.743	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-89.3	119.2	-176.2	-175.8	176.1	28.4	0	0	109.2	R175	Q173-R175 PolarHBondContact O-N 3.45Å
174	E	27.9	Very low	29.9	Very low	196 Å²	196	168.2 Å²	168.2	92%	0.916	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-64.6	129.1	165.6	-71.8	-171.3	124.8	0	0	109.3
175	R	27.7	Very low	29.2	Very low	224 Å²	224	166.7 Å²	166.7	85%	0.845	82%	0.815	S	S	*	*			trans	-139	97.4	176.9	-163.5	-179	-163.7	-155.8	5.7	109.7	Q173 R177	Q173-R175 PolarHBondContact O-N 3.45Å; R175-R177 PolarHBondContact O-N 3.35Å
176	Q	26.5	Very low	29	Very low	192 Å²	192	165 Å²	165	90%	0.897	81%	0.814	S	S	*	*			trans	-65.7	131.9	172	-75.9	-168.8	-26.8	0	0	111.2
177	R	26.9	Very low	29	Very low	247 Å²	247	162.9 Å²	162.9	93%	0.932	81%	0.811	S	S	*	*			trans	-168.7	124.1	137.3	-105.2	171.1	-167.2	-166.1	2.3	109.9	R175	R175-R177 PolarHBondContact O-N 3.35Å
178	E	25	Very low	28.6	Very low	185 Å²	185	164 Å²	164	86%	0.864	81%	0.809	S	S	*	*			trans	-80.1	178.4	162.9	-68.8	-169	114.5	0	0	110.7
179	P	39.4	Very low	28.3	Very low	110 Å²	110	169.3 Å²	169.3	71%	0.714	81%	0.811	S	S	*	*			cis	-128.3	175.8	-8.4	17	7.7	0	0	0	114.8
180	S	26.3	Very low	28	Very low	104 Å²	104	162.8 Å²	162.8	73%	0.727	80%	0.803	S	S	*	*				132.3	128.6	124.5	72.8	0	0	0	0	119.3
181	V	28	Very low	27.9	Very low	126 Å²	126	156 Å²	156	76%	0.764	79%	0.791	S	S	*	*			trans	63.9	125.6	147.7	-64.6	0	0	0	0	125.9
182	L	23.6	Very low	28	Very low	141 Å²	141	157.9 Å²	157.9	74%	0.738	79%	0.794	S	S	*	*			trans	75.7	113.8	139.7	-92.9	97.7	0	0	0	124.3
183	F	25.7	Very low	27.9	Very low	177 Å²	177	154.9 Å²	154.9	78%	0.776	79%	0.787	S	S	*	*			trans	63	159.4	139.7	-75.5	-125.5	0	0	0	117.7
184	E	25	Very low	27.9	Very low	169 Å²	169	151.3 Å²	151.3	79%	0.79	79%	0.785	S	S	*	*			cis	-145.4	-177.4	7	-155.1	160	-131.3	0	0	111.9
185	V	28	Very low	28	Very low	125 Å²	125	148.8 Å²	148.8	76%	0.758	78%	0.777	S	S	*	*			trans	-138.6	128.9	-176.7	176	0	0	0	0	113.6
186	P	33.5	Very low	28	Very low	115 Å²	115	146.1 Å²	146.1	75%	0.747	77%	0.774	S	S	*	*			trans	-135.5	136.7	130.1	29.4	-12.6	0	0	0	112
187	K	26.2	Very low	28.1	Very low	185 Å²	185	140.8 Å²	140.8	80%	0.804	76%	0.762	S	S	*	*				48.2	127.2	77.8	-73.7	-177.7	-179.9	172.2	0	112.3
188	L	25.8	Very low	28	Very low	144 Å²	144	137.7 Å²	137.7	75%	0.754	76%	0.759	S	S	*	*				-161	-176.7	56.7	-142.3	60.9	0	0	0	107.9
189	K	28.3	Very low	28.2	Very low	185 Å²	185	134.9 Å²	134.9	80%	0.804	76%	0.76	S	S	*	*			cis	-153.6	-170.9	8.9	-160	164.4	-167.6	175.3	0	110.4
190	S	26.4	Very low	27.6	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	77%	0.768	S	S	*	*			trans	-37.4	151.8	170.4	-166.5	0	0	0	0	118
191	G	27.8	Very low	27.6	Very low	63 Å²	63	138.8 Å²	138.8	65%	0.649	77%	0.768	S	S	*	*			cis	133.7	164	-8.2	0	0	0	0	0	115.4
192	K	30.8	Very low	27.5	Very low	201 Å²	201	139.5 Å²	139.5	87%	0.874	77%	0.767	S	S	*	*			trans	58.4	141.7	156.7	-70.6	-173.2	175	-173.9	0	119.5
193	S	27.8	Very low	27.6	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	77%	0.767	S	S	*	*			cis	-175.4	156.5	-5.5	46.7	0	0	0	0	112.2
194	A	29.1	Very low	27.7	Very low	85 Å²	85	134.9 Å²	134.9	70%	0.702	76%	0.758	S	S	*	*			trans	64.9	152.2	139.3	0	0	0	0	0	120.2
195	L	30.8	Very low	27.9	Very low	142 Å²	142	135.9 Å²	135.9	74%	0.743	76%	0.76	S	S	*	*			cis	-159	174.8	-17.9	-107.4	173.8	0	0	0	108.5
196	E	26.8	Very low	27.9	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	76%	0.763	S	S	*	*			trans	-0.8	154.7	147.9	-69.1	160.7	172.9	0	0	120.6
197	A	28.2	Very low	27.7	Very low	79 Å²	79	135 Å²	135	65%	0.653	76%	0.762	S	S	*	*			cis	-172.8	-179.7	-11.5	0	0	0	0	0	110
198	E	26.4	Very low	27.7	Very low	183 Å²	183	134 Å²	134	86%	0.855	77%	0.765	S	S	*	*			trans	40.8	124.6	157.4	-65.9	-177.1	131.3	0	0	121.7
199	S	28	Very low	28.1	Very low	126 Å²	126	132.8 Å²	132.8	88%	0.881	77%	0.769	S	S	*	*				-179.8	176.3	121.4	38.3	0	0	0	0	112.3
200	E	26.6	Very low	28.1	Very low	189 Å²	189	131.1 Å²	131.1	88%	0.883	77%	0.769	S	S	*	*			trans	-104.8	166.7	-155.4	-54	166.3	92.8	0	0	115.2
201	S	26.2	Very low	28.4	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	76%	0.762	S	S	*	*			trans	97.2	138.6	133.6	-146.7	0	0	0	0	122.6
202	L	26.3	Very low	28.4	Very low	142 Å²	142	133.1 Å²	133.1	74%	0.743	77%	0.768	S	S	*	*			trans	59.2	109.7	154.7	-103	75	0	0	0	123.7
203	D	26.8	Very low	28.3	Very low	135 Å²	135	128 Å²	128	72%	0.722	76%	0.757	S	S	*	*				53.3	104.7	115.2	-65.2	-4.8	0	0	0	123.2
204	S	27.8	Very low	28.4	Very low	85 Å²	85	133 Å²	133	59%	0.594	76%	0.761	S	S	*	*				103.5	144	104	75.9	0	0	0	0	121.5
205	F	27.6	Very low	28.6	Very low	191 Å²	191	138.6 Å²	138.6	84%	0.838	76%	0.764	S	S	*	*			trans	64.7	155.4	172.2	-50.4	-68.3	0	0	0	115.4
206	T	28.2	Very low	28.5	Very low	134 Å²	134	138 Å²	138	82%	0.822	76%	0.762	S	S	*	*			cis	-131.8	173.4	13.3	-34.5	0	0	0	0	111.1
207	A	29.2	Very low	28.6	Very low	86 Å²	86	134.5 Å²	134.5	71%	0.711	76%	0.756	S	S	*	*			trans	-123.6	134.9	166.7	0	0	0	0	0	110
208	D	26.8	Very low	28.9	Very low	165 Å²	165	137.9 Å²	137.9	88%	0.882	76%	0.762	S	S	*	*			trans	-94.7	164.1	173.6	-79.2	-52.1	0	0	0	112.1
209	S	33.9	Very low	29.1	Very low	119 Å²	119	134.3 Å²	134.3	83%	0.832	75%	0.749	S	S	*	*			trans	-151.3	143	-177.9	-68	0	0	0	0	111.2
210	D	28.5	Very low	29.2	Very low	150 Å²	150	136 Å²	136	80%	0.802	74%	0.74	S	S	*	*			trans	-148.1	113.4	172.4	-151.3	56.4	0	0	0	107
211	S	31.8	Very low	29.3	Very low	86 Å²	86	132.5 Å²	132.5	60%	0.601	74%	0.736	S	S	*	*				91.1	148	90	99.9	0	0	0	0	112.8
212	T	29.6	Very low	29.3	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	73%	0.733	S	S	*	*			cis	-152.4	161.5	-4.3	34.6	0	0	0	0	112.2
213	S	28.8	Very low	29.5	Very low	94 Å²	94	130.9 Å²	130.9	66%	0.657	74%	0.735	S	S	*	*				128.5	141.8	120.8	83.3	0	0	0	0	120.1
214	R	28.7	Very low	29.5	Very low	203 Å²	203	133 Å²	133	77%	0.766	74%	0.738	S	S	*	*			trans	73.2	110.5	160.1	-59.5	172.1	-166.5	-143.5	1	116.6
215	R	32.6	Very low	30.7	Very low	202 Å²	202	133.7 Å²	133.7	76%	0.762	74%	0.74	S	S	*	*				87.3	139.2	72.9	-87.9	-161.8	-80.3	-140.3	-3.4	113
216	D	29.7	Very low	30.5	Very low	131 Å²	131	132.4 Å²	132.4	70%	0.701	74%	0.737	S	S	*	*			cis	-160.3	178.9	2	-135.7	-40.9	0	0	0	112.5
217	S	29	Very low	30.4	Very low	95 Å²	95	135.6 Å²	135.6	66%	0.664	73%	0.734	S	S	*	*			trans	73.4	122	169.6	-65.9	0	0	0	0	118.2
218	L	34.2	Very low	30.4	Very low	150 Å²	150	140.3 Å²	140.3	79%	0.785	74%	0.738	S	S	*	*				92.2	134.6	54.7	-76.7	167.6	0	0	0	112.7
219	D	31.2	Very low	30.5	Very low	107 Å²	107	140.7 Å²	140.7	57%	0.572	73%	0.732	S	S	*	*			cis	-164.4	168.8	-7.6	-164.4	12.9	0	0	0	111.8
220	K	29.1	Very low	30.1	Very low	163 Å²	163	142.2 Å²	142.2	71%	0.709	73%	0.728	S	S	*	*			trans	58.2	118.9	157.9	-78.8	168.5	-176.2	112.5	0	120
221	S	28.9	Very low	30	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	73%	0.728	S	S	*	*				76.8	134	66.3	82.7	0	0	0	0	115.2
222	G	26.7	Very low	29.9	Very low	64 Å²	64	140.8 Å²	140.8	66%	0.66	74%	0.735	S	S	*	*			cis	155.8	169.9	-4.6	0	0	0	0	0	112.7
223	L	29.3	Very low	30.9	Very low	151 Å²	151	140.2 Å²	140.2	79%	0.791	73%	0.734	S	S	*	*			trans	70.3	152.4	168.9	-51.1	177.3	0	0	0	115.9
224	F	27.7	Very low	30.8	Very low	178 Å²	178	145.1 Å²	145.1	78%	0.781	74%	0.743	S	S	*	*			cis	-145.3	-163.2	-1.2	-129.3	-28.8	0	0	0	112.1
225	P	52.6	Low	30.6	Very low	100 Å²	100	140 Å²	140	65%	0.649	74%	0.739	S	S	*	*			trans	-121.6	-165.9	-140.4	45.4	-27.8	0	0	0	115.2
226	E	24.5	Very low	30.3	Very low	164 Å²	164	139 Å²	139	77%	0.766	74%	0.743	S	S	*	*				-163.3	160.8	109.4	-129.7	-170.3	132.4	0	0	116.4
227	W	25.9	Very low	30.3	Very low	201 Å²	201	138.5 Å²	138.5	76%	0.761	74%	0.744	S	S	*	*			trans	-10.9	139.3	173.6	81.5	-43.9	0	0	0	123.3
228	K	27.8	Very low	30.3	Very low	185 Å²	185	140.8 Å²	140.8	80%	0.804	74%	0.744	S	S	*	*				76.4	159	79	-71.3	-175	177.6	174	0	116.7
229	K	29.7	Very low	30.1	Very low	174 Å²	174	139.9 Å²	139.9	76%	0.757	73%	0.734	S	S	*	*			cis	-176.8	155.3	-40.3	-133.1	-176	175.1	-172.4	0	110.6
230	M	26.1	Very low	30	Very low	151 Å²	151	141.5 Å²	141.5	74%	0.744	74%	0.738	S	S	*	*			trans	78.2	132.1	147.5	-73.7	169	67.3	0	0	125.1
231	S	26.1	Very low	29.8	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	74%	0.742	S	S	*	*			trans	78.6	158.3	132.5	-60.9	0	0	0	0	124.7
232	A	30.1	Very low	29.8	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	74%	0.741	S	S	*	*			trans	-135.2	-171	175	0	0	0	0	0	108.6
233	P	50.8	Low	30.6	Very low	112 Å²	112	145.3 Å²	145.3	73%	0.727	75%	0.748	S	S	*	*			cis	-143.6	-161.9	7.5	42.9	-20.8	0	0	0	116.7
234	K	25.4	Very low	30.5	Very low	197 Å²	197	141.4 Å²	141.4	86%	0.857	74%	0.744	S	S	*	*			trans	77.3	154	168.2	-70.8	178.2	-179.4	-178.1	0	117.1
235	S	25.9	Very low	30.5	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	74%	0.742	S	S	*	*			cis	-169.3	-178.7	-7.2	44.1	0	0	0	0	112.6
236	Q	26.5	Very low	29.6	Very low	181 Å²	181	140.2 Å²	140.2	85%	0.846	75%	0.751	S	S	*	*			trans	79.1	161.1	164.5	-66.5	-170.7	-32.1	0	0	117.9
237	V	29.2	Very low	29.7	Very low	119 Å²	119	138.3 Å²	138.3	72%	0.721	75%	0.747	S	S	*	*			cis	-173.6	153.3	-17.9	139.4	0	0	0	0	105.7
238	E	29	Very low	30	Very low	143 Å²	143	134.8 Å²	134.8	67%	0.668	75%	0.747	S	S	*	*			cis	-130.7	-132.3	-4.8	-135.5	-177.6	148.8	0	0	107.7
239	K	30.3	Very low	30	Very low	131 Å²	131	132.4 Å²	132.4	57%	0.57	75%	0.748	S	S	*	*			cis	-162.4	169.1	-21.1	-128.1	176.4	175.8	58.7	0	104.9
240	E	28.6	Very low	29.8	Very low	142 Å²	142	133.3 Å²	133.3	66%	0.664	75%	0.752	S	S	*	*			cis	-151.7	-161	-10.7	-161.1	116.4	-102.7	0	0	104.5
241	T	25.4	Very low	29.8	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	75%	0.754	S	S	*	*			cis	-151.7	-176.3	1.6	-35.7	0	0	0	0	107.9
242	Q	28.4	Very low	29.9	Very low	166 Å²	166	133.1 Å²	133.1	78%	0.776	75%	0.75	S	S	*	*			trans	-148.3	177.7	173.4	-143.3	-165.3	73.9	0	0	110.6
243	P	44.4	Very low	29.8	Very low	126 Å²	126	137.7 Å²	137.7	82%	0.818	76%	0.755	S	S	*	*				-155	159.3	72.6	40.2	-19.3	0	0	0	119.5
244	G	25.6	Very low	28.6	Very low	69 Å²	69	135.6 Å²	135.6	71%	0.711	75%	0.754	S	S	*	*			trans	90.4	138.9	143.1	0	0	0	0	0	119.6
245	G	29.1	Very low	28.7	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	75%	0.75	S	S	*	*			cis	170.4	157.8	-11.6	0	0	0	0	0	115.2
246	Q	32.3	Very low	28.8	Very low	183 Å²	183	136.2 Å²	136.2	86%	0.855	75%	0.751	S	S	*	*			trans	67.9	141.5	162.7	-65.7	-178	-5.2	0	0	118.4
247	N	27.8	Very low	28.9	Very low	125 Å²	125	135 Å²	135	67%	0.668	75%	0.748	S	S	*	*			cis	-142.8	141.7	-4.3	-83.7	-34.9	0	0	0	109.1
248	V	30.9	Very low	28.7	Very low	127 Å²	127	137.4 Å²	137.4	77%	0.77	75%	0.75	S	S	*	*				58.1	125.4	83.5	-166.2	0	0	0	0	112.8
249	V	27.5	Very low	28.7	Very low	134 Å²	134	140.2 Å²	140.2	81%	0.812	76%	0.759	S	S	*	*				-148.1	165.7	60.6	-174.7	0	0	0	0	113.3
250	F	25.9	Very low	28.9	Very low	194 Å²	194	143.6 Å²	143.6	85%	0.851	77%	0.774	S	S	*	*			trans	-74.5	-167.7	170.5	-75.9	-114.6	0	0	0	112.5
251	V	27.2	Very low	28.7	Very low	128 Å²	128	143.2 Å²	143.2	78%	0.776	78%	0.777	S	S	*	*			cis	-155	144.1	25.3	-175.8	0	0	0	0	106
252	D	27.3	Very low	28.9	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	78%	0.777	S	S	*	*			cis	87.9	135.4	45.1	-150.4	20.9	0	0	0	116.7
253	E	29.1	Very low	29	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.874	78%	0.779	S	S	*	*			trans	41.4	163.4	177.7	-68.1	-174.5	153.5	0	0	120.4
254	G	25.4	Very low	28.1	Very low	68 Å²	68	149.8 Å²	149.8	70%	0.701	78%	0.784	S	S	*	*			cis	-178.8	150.2	-8.3	0	0	0	0	0	113.2
255	E	26.4	Very low	28.2	Very low	167 Å²	167	153.8 Å²	153.8	78%	0.78	79%	0.787	S	S	*	*			trans	50.2	128.7	157	-63.9	-127.4	109.4	0	0	125.8
256	M	27.7	Very low	28	Very low	141 Å²	141	158.4 Å²	158.4	70%	0.695	80%	0.795	S	S	*	*			trans	67.5	163	152.1	-59	-163.5	-162.1	0	0	118.1
257	I	29.7	Very low	28	Very low	155 Å²	155	160.5 Å²	160.5	80%	0.795	80%	0.795	S	S	*	*			cis	-148.5	143.9	36.7	-65.2	162	0	0	0	114.1
258	F	24.8	Very low	28.4	Very low	170 Å²	170	159.7 Å²	159.7	75%	0.746	80%	0.796	S	S	*	*			trans	-13.1	129.7	163.9	-68.7	-102.5	0	0	0	123.2
259	K	30.2	Very low	28.2	Very low	201 Å²	201	158.4 Å²	158.4	87%	0.874	79%	0.793	S	S	*	*				168.8	148.1	116.8	-89.6	150.7	-171.6	167	0	109.3
260	K	33.2	Very low	28.2	Very low	202 Å²	202	160.7 Å²	160.7	88%	0.878	80%	0.795	S	S	*	*			cis	-145.5	166.2	22.6	-135.1	172.5	-174.2	177.6	0	112.2
261	N	25.5	Very low	28.3	Very low	135 Å²	135	161 Å²	161	72%	0.722	79%	0.792	S	S	*	*			trans	-70.6	170.5	178.2	-126.4	-13	0	0	0	111.9
262	T	28.2	Very low	28.4	Very low	127 Å²	127	160 Å²	160	78%	0.779	79%	0.786	S	S	*	*			cis	-155.9	161.6	26.4	-27	0	0	0	0	114.2
263	R	31	Very low	28.5	Very low	220 Å²	220	162.5 Å²	162.5	83%	0.83	79%	0.791	S	S	*	*			trans	-74.8	156.7	174.7	-52.6	163.6	174.5	156.2	-5.5	114
264	K	25.5	Very low	28.6	Very low	211 Å²	211	158.8 Å²	158.8	92%	0.917	79%	0.785	S	S	*	*				-168.9	172.5	109.1	-105.9	179.8	179.7	-176.6	0	113.3
265	I	28.1	Very low	28.8	Very low	152 Å²	152	162.5 Å²	162.5	78%	0.779	79%	0.794	S	S	*	*			trans	-129.5	150.4	-164.4	-64.4	157.4	0	0	0	108.6
266	L	24.5	Very low	29.2	Very low	168 Å²	168	161.4 Å²	161.4	88%	0.88	79%	0.792	S	S	*	*			trans	177.4	151.4	133.8	-93.9	160.6	0	0	0	114.7
267	R	33	Very low	29.2	Very low	226 Å²	226	162 Å²	162	85%	0.853	80%	0.798	S	S	*	*			trans	-110	163.2	155.8	-102.9	-178.9	175.5	-179.2	-1.5	105.7
268	P	35.8	Very low	29.2	Very low	108 Å²	108	161.2 Å²	161.2	70%	0.701	80%	0.795	S	S	*	*				-157.5	-176.5	54.6	39.4	-15.3	0	0	0	118.2
269	S	26.3	Very low	29.6	Very low	101 Å²	101	164.5 Å²	164.5	71%	0.706	80%	0.802	S	S	*	*			trans	54.7	166.8	143.9	63.8	0	0	0	0	120.9
270	E	28.2	Very low	30.3	Very low	181 Å²	181	160 Å²	160	85%	0.846	79%	0.794	S	S	*	*			cis	-141.2	-179.4	18.8	-73.2	-174.7	133	0	0	115.2
271	Y	28.1	Very low	30.1	Very low	200 Å²	200	159.7 Å²	159.7	78%	0.784	80%	0.796	S	S	*	*			trans	-20.6	159.6	152.7	-140.2	-148	0	0	0	117.1
272	T	29.3	Very low	30.4	Very low	109 Å²	109	160.2 Å²	160.2	67%	0.669	80%	0.798	S	S	*	*			cis	-164.5	-178.9	36.8	-38.2	0	0	0	0	113.2
273	K	29.4	Very low	30.6	Very low	183 Å²	183	161.1 Å²	161.1	80%	0.796	80%	0.804	S	S	*	*			trans	-72.5	153.3	174.7	-52.6	165.9	176.7	173	0	115.7
274	S	31.5	Very low	30.3	Very low	109 Å²	109	153.4 Å²	153.4	76%	0.762	79%	0.792	S	S	*	*				-168.3	126	127.3	37.4	0	0	0	0	109.9
275	V	28.3	Very low	30.4	Very low	147 Å²	147	151.8 Å²	151.8	89%	0.891	79%	0.788	S	S	*	*				77.1	139.6	91.6	179.2	0	0	0	0	114.2
276	I	36	Very low	30.4	Very low	144 Å²	144	151.7 Å²	151.7	74%	0.738	78%	0.784	S	S	*	*			trans	-92.7	149.6	-173.5	-70.4	158.3	0	0	0	110.7	L278	I276-L278 HydrophobicContact CG2-CD1 4.48Å; I276-L278 HydrophobicContact CG2-CG 4.26Å
277	D	26.9	Very low	30.5	Very low	153 Å²	153	148.4 Å²	148.4	82%	0.818	78%	0.775	S	S	*	*			trans	-138.7	159.9	140.9	-156	-1	0	0	0	111.3
278	L	29.7	Very low	30.3	Very low	138 Å²	138	141.5 Å²	141.5	72%	0.723	78%	0.775	S	S	*	*			trans	-146	96.5	-175.6	-82.3	170.9	0	0	0	111	I276	I276-L278 HydrophobicContact CG2-CD1 4.48Å; I276-L278 HydrophobicContact CG2-CG 4.26Å
279	R	33.3	Very low	29.9	Very low	239 Å²	239	142.5 Å²	142.5	90%	0.902	78%	0.784	S	S	*	*			trans	-157	157.8	151.3	-105.2	123.5	-155	-115.6	-0.2	113
280	P	45.2	Very low	30.1	Very low	108 Å²	108	145.8 Å²	145.8	70%	0.701	79%	0.793	S	S	*	*			trans	-92.3	160.1	-175.8	37.9	-34.1	0	0	0	112
281	E	28.6	Very low	30.1	Very low	195 Å²	195	141 Å²	141	91%	0.911	79%	0.793	S	S	*	*			trans	-127.8	143.3	158.3	-78	-73.8	90.7	0	0	108.1
282	D	31.1	Very low	30.1	Very low	146 Å²	146	137 Å²	137	78%	0.781	78%	0.784	S	S	*	*			trans	-114.5	125.8	-176.2	167.8	35.9	0	0	0	110.1
283	V	32.6	Very low	30.2	Very low	146 Å²	146	142.9 Å²	142.9	89%	0.885	79%	0.794	S	S	*	*			trans	-164.6	115.4	150.4	-102.1	0	0	0	0	111.8
284	G	25.3	Very low	30.2	Very low	58 Å²	58	137.9 Å²	137.9	60%	0.598	78%	0.783	S	S	*	*				59.7	133.4	106.7	0	0	0	0	0	122.2
285	H	27.7	Very low	30.2	Very low	177 Å²	177	141.6 Å²	141.6	82%	0.819	79%	0.785	S	S	*	*			trans	65.1	150.4	160.3	-81.5	-95.8	0	0	0	119.3
286	E	26.9	Very low	30.3	Very low	149 Å²	149	140.3 Å²	140.3	70%	0.696	78%	0.783	S	S	*	*			cis	-174.9	168.8	-36.9	-125.2	-153.9	-178.1	0	0	111
287	S	27.4	Very low	30	Very low	99 Å²	99	139.9 Å²	139.9	69%	0.692	79%	0.786	S	S	*	*			trans	44.5	117.3	140.6	-60.3	0	0	0	0	122.2
288	G	28.2	Very low	30.3	Very low	82 Å²	82	139 Å²	139	85%	0.845	79%	0.788	S	S	*	*			trans	136.7	123.9	157.6	0	0	0	0	0	113.5
289	S	28	Very low	30.1	Very low	128 Å²	128	135.2 Å²	135.2	90%	0.895	78%	0.784	S	S	*	*			cis	-146.9	171.4	-4.1	-167.1	0	0	0	0	110.9
290	L	29.8	Very low	29.8	Very low	170 Å²	170	131.3 Å²	131.3	89%	0.89	78%	0.779	S	S	*	*			trans	-88.4	147.9	-164.9	-68.3	162.7	0	0	0	114.6
291	G	28.2	Very low	28.8	Very low	82 Å²	82	132.5 Å²	132.5	85%	0.845	78%	0.78	S	S	*	*			trans	-123.7	102.9	158.9	0	0	0	0	0	109.5
292	D	29.9	Very low	29.2	Very low	115 Å²	115	129.4 Å²	129.4	62%	0.615	77%	0.774	S	S	*	*			trans	-81.3	137.5	-167.9	171.8	49	0	0	0	114.1	S294	D292-S294 PolarHBondContact OD1-N 3.33Å; D292-S294 VanDerWaalsContact OD1-N 3.16Å
293	R	29.5	Very low	28.9	Very low	233 Å²	233	129.4 Å²	129.4	88%	0.879	77%	0.774	S	S	*	*				-164.6	103.8	125.1	-109.2	167.7	161.4	80.4	0.8	114.7
294	S	31.4	Very low	28.8	Very low	78 Å²	78	130.1 Å²	130.1	55%	0.545	77%	0.77	S	S	.	*			trans	-23.7	160.1	149.5	-69.4	0	0	0	0	117.7	D292	D292-S294 PolarHBondContact OD1-N 3.33Å; D292-S294 VanDerWaalsContact OD1-N 3.16Å
295	K	31.1	Very low	29	Very low	187 Å²	187	136.4 Å²	136.4	81%	0.813	78%	0.784	S	S	*	*			cis	-179.1	145.3	-11.7	-102.8	169.2	-175.2	174	0	106.1
296	S	30.1	Very low	29.1	Very low	120 Å²	120	136.4 Å²	136.4	84%	0.839	78%	0.784	S	S	*	*			trans	173.6	105.6	143.6	-84.4	0	0	0	0	111.9
297	V	30	Very low	29.3	Very low	135 Å²	135	137.7 Å²	137.7	82%	0.818	79%	0.79	S	S	*	*			trans	-147.3	124.7	165.3	-171.4	0	0	0	0	108.7
298	P	31.7	Very low	29.8	Very low	133 Å²	133	141.9 Å²	141.9	86%	0.864	80%	0.799	S	S	*	*			trans	-106.4	109.8	148.9	6.7	13.9	0	0	0	107.6
299	G	26.8	Very low	30.1	Very low	60 Å²	60	144.5 Å²	144.5	62%	0.619	79%	0.789	S	S	*	*			trans	-91.8	172.8	171	0	0	0	0	0	111.2
300	L	26.7	Very low	30.5	Very low	156 Å²	156	145.1 Å²	145.1	82%	0.817	78%	0.778	S	S	*	*			trans	-169.7	142.2	138.2	-102.9	163.9	0	0	0	110.3
301	N	23.5	Very low	31.3	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	74%	0.741	S	S	*	*			trans	53.8	103.4	158.8	-58.7	-13.3	0	0	0	119.6
302	V	37.7	Very low	31.8	Very low	131 Å²	131	140 Å²	140	79%	0.794	73%	0.731	S	S	*	*				23.1	109.7	116.5	-173.3	0	0	0	0	115.8
303	D	24.8	Very low	32.3	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	72%	0.717	S	S	*	*				-155.3	165.6	114.8	-119.8	-36.4	0	0	0	112.3	E305	D303-E305 PolarHBondContact O-N 3Å
304	M	31.2	Very low	32.9	Very low	161 Å²	161	131.1 Å²	131.1	79%	0.793	70%	0.697	S	S	*	*			trans	-38	121	-170.3	-70.2	164.8	34.1	0	0	117.1	E306	M304-E306 PolarHBondContact O-N 3.06Å
305	E	27.7	Very low	33.5	Very low	191 Å²	191	133.7 Å²	133.7	89%	0.893	70%	0.704	S	S	*	*			trans	-70.5	113	163.6	-66.9	-177.2	147.7	0	0	110.7	D303 E307	D303-E305 PolarHBondContact O-N 3Å; E305-E307 PolarHBondContact O-N 3.44Å
306	E	30.3	Very low	34.2	Very low	177 Å²	177	128.3 Å²	128.3	83%	0.827	69%	0.687	S	S	*	*			trans	-78	100.3	167	-68.8	-160.5	124.8	0	0	110.1	M304 E308	M304-E306 PolarHBondContact O-N 3.06Å; E306-E308 PolarHBondContact O-N 2.89Å
307	E	31.7	Very low	34.7	Very low	176 Å²	176	127.8 Å²	127.8	82%	0.822	67%	0.669	S	S	*	*			trans	-58.7	123.6	172.7	-73.7	-169.6	135.5	0	0	111.5	E305 E309	E305-E307 PolarHBondContact O-N 3.44Å; E307-E309 PolarHBondContact O-N 2.9Å
308	E	36.8	Very low	35	Very low	187 Å²	187	125.7 Å²	125.7	87%	0.874	65%	0.653	S	S	*	*			trans	-70.4	82.1	-179.5	-63.3	-172.6	124	0	0	112.6	E306 E310	E306-E308 PolarHBondContact O-N 2.89Å; E308-E310 VanDerWaalsContact C-N 3.28Å; E308-E310 PolarHBondContact O-N 3.13Å
309	E	34.8	Very low	35.4	Very low	136 Å²	136	125.2 Å²	125.2	64%	0.636	64%	0.639	S	S	*	*			trans	-67.1	76.6	173.5	-73.8	-164.4	127.3	0	0	112.7	E307 D311 R603	E307-E309 PolarHBondContact O-N 2.9Å; E309-D311 PolarHBondContact O-N 2.74Å; E309-R603 IonicContact OE1-NH2 2.86Å; E309-R603 IonicContact OE2-CZ 3.58Å; E309-R603 IonicContact OE2-NH2 3.7Å; E309-R603 PolarHBondContact OE2-NH2 3.28Å
310	E	38.1	Very low	36.1	Very low	141 Å²	141	131.1 Å²	131.1	66%	0.659	64%	0.642	S	S	*	*			trans	-63	94.9	176.4	-90	-100.6	124.9	0	0	113.5	E308 I312 K560	E308-E310 VanDerWaalsContact C-N 3.28Å; E308-E310 PolarHBondContact O-N 3.13Å; E310-I312 PolarHBondContact O-N 2.69Å; E310-K560 IonicContact OE1-NZ 3.53Å; E310-K560 PolarHBondContact OE1-NZ 3.11Å; E310-K560 IonicContact OE2-NZ 2.72Å; E310-K560 PolarHBondContact OE2-NZ 3.28Å
311	D	44.7	Very low	36.6	Very low	24 Å²	24	129.6 Å²	129.6	13%	0.128	63%	0.631	C	S	.	*			trans	56.4	53.9	143.1	-86.3	-30.4	0	0	0	119	E309 D313 H314 L315 K560 K563	E309-D311 PolarHBondContact O-N 2.74Å; D311-D313 PolarHBondContact O-N 2.89Å; D311-H314 HydrophobicContact CB-CB 3.82Å; D311-H314 PolarHBondContact O-N 3.37Å; D311-L315 PolarHBondContact O-N 2.89Å; D311-K560 WeakPolarHBondContact OD2-CD 3.44Å; D311-K560 WeakPolarHBondContact OD2-CE 3.4Å; D311-K560 IonicContact OD2-NZ 3.86Å; D311-K560 PolarHBondContact OD2-NZ 3.24Å; D311-K563 IonicContact OD1-NZ 2.75Å; D311-K563 PolarHBondContact OD1-NZ 3.39Å
312	I	39.5	Very low	37.3	Very low	122 Å²	122	128.6 Å²	128.6	63%	0.626	62%	0.621	S	S	*	*	H	α-helix	trans	-49.3	-40.4	160.3	-59.9	173.8	0	0	0	111.3	E310 H314 L315 V316	E310-I312 PolarHBondContact O-N 2.69Å; I312-H314 VanDerWaalsContact C-N 3.26Å; I312-H314 PolarHBondContact O-N 2.76Å; I312-L315 PolarHBondContact O-N 2.62Å; I312-V316 WeakPolarHBondContact O-CG2 3.36Å; I312-V316 PolarHBondContact O-N 2.84Å; I312-V316 VanDerWaalsContact O-N 3.13Å
313	D	40.6	Very low	37.4	Very low	61 Å²	61	126.7 Å²	126.7	33%	0.326	61%	0.606	S	S	.	*	H	α-helix	trans	-55.3	-38.4	176.5	-74.3	-17.1	0	0	0	112.5	D311 V316 K317 K551	D311-D313 PolarHBondContact O-N 2.89Å; D313-V316 PolarHBondContact O-N 3.03Å; D313-K317 WeakPolarHBondContact O-CB 3.35Å; D313-K317 PolarHBondContact O-N 2.86Å; D313-K551 IonicContact OD1-NZ 2.71Å; D313-K551 IonicContact OD2-NZ 3.19Å; D313-K551 PolarHBondContact OD2-NZ 2.98Å
314	H	41.8	Very low	38	Very low	100 Å²	100	124 Å²	124	46%	0.463	60%	0.603	S	S	.	*	H	α-helix	trans	-74.9	-37.2	-175.8	-156.5	-90.6	0	0	0	111.5	D311 I312 K317 L318	D311-H314 HydrophobicContact CB-CB 3.82Å; D311-H314 PolarHBondContact O-N 3.37Å; I312-H314 VanDerWaalsContact C-N 3.26Å; I312-H314 PolarHBondContact O-N 2.76Å; H314-K317 PolarHBondContact O-N 2.61Å; H314-L318 WeakPolarHBondContact O-CB 3.19Å; H314-L318 PolarHBondContact O-N 3.11Å
315	L	44.3	Very low	38.3	Very low	132 Å²	132	127.4 Å²	127.4	69%	0.691	61%	0.607	S	S	*	*	H	α-helix	trans	-59.7	-44.5	170	-86.8	156.7	0	0	0	111.9	D311 I312 L318 H319	D311-L315 PolarHBondContact O-N 2.89Å; I312-L315 PolarHBondContact O-N 2.62Å; L315-L318 PolarHBondContact O-N 3.47Å; L315-H319 WeakPolarHBondContact O-CB 3.39Å; L315-H319 PolarHBondContact O-N 2.95Å
316	V	44.7	Very low	38.5	Very low	73 Å²	73	121.9 Å²	121.9	44%	0.442	59%	0.59	S	S	.	*	H	α-helix	trans	-65.9	-40.8	177.3	174.9	0	0	0	0	111.4	I312 D313 H319 R320	I312-V316 WeakPolarHBondContact O-CG2 3.36Å; I312-V316 PolarHBondContact O-N 2.84Å; I312-V316 VanDerWaalsContact O-N 3.13Å; D313-V316 PolarHBondContact O-N 3.03Å; V316-H319 PolarHBondContact O-N 2.79Å; V316-R320 WeakPolarHBondContact O-CB 3.37Å; V316-R320 PolarHBondContact O-N 3.26Å
317	K	41.2	Very low	38.7	Very low	109 Å²	109	118.4 Å²	118.4	47%	0.474	59%	0.585	S	S	.	*	H	α-helix	trans	-62.7	-44.2	177.1	-168.3	174.2	-177.4	178.2	0	112.1	D313 H314 H319 R320 Q321	D313-K317 WeakPolarHBondContact O-CB 3.35Å; D313-K317 PolarHBondContact O-N 2.86Å; H314-K317 PolarHBondContact O-N 2.61Å; K317-H319 PolarHBondContact O-N 3.26Å; K317-R320 PolarHBondContact O-N 2.88Å; K317-Q321 PolarHBondContact O-N 2.71Å
318	L	37.3	Very low	38.9	Very low	92 Å²	92	117.7 Å²	117.7	48%	0.482	58%	0.584	S	S	.	*	H	α-helix	trans	-64.5	-37.1	175.7	-117	150.3	0	0	0	112.4	H314 L315 K322	H314-L318 WeakPolarHBondContact O-CB 3.19Å; H314-L318 PolarHBondContact O-N 3.11Å; L315-L318 PolarHBondContact O-N 3.47Å; L318-K322 PolarHBondContact O-N 3.35Å
319	H	40	Very low	38.8	Very low	122 Å²	122	116.7 Å²	116.7	57%	0.565	58%	0.579	S	S	*	*	H	α-helix	trans	-66.4	-44.1	173.9	-167.7	61.1	0	0	0	111.7	L315 V316 K317 Q321 K322 L323	L315-H319 WeakPolarHBondContact O-CB 3.39Å; L315-H319 PolarHBondContact O-N 2.95Å; V316-H319 PolarHBondContact O-N 2.79Å; K317-H319 PolarHBondContact O-N 3.26Å; H319-Q321 PolarHBondContact O-N 3.2Å; H319-K322 PolarHBondContact O-N 3.14Å; H319-L323 WeakPolarHBondContact O-CG 3.28Å; H319-L323 PolarHBondContact O-N 2.69Å; H319-L323 VanDerWaalsContact O-N 3.1Å
320	R	40.4	Very low	38.6	Very low	184 Å²	184	115.8 Å²	115.8	69%	0.694	59%	0.588	S	S	*	*	H	α-helix	trans	-60.3	-44.7	177.6	-164.4	-178.4	-63.9	-174.9	-0.1	112.1	V316 K317 K322 A324	V316-R320 WeakPolarHBondContact O-CB 3.37Å; V316-R320 PolarHBondContact O-N 3.26Å; K317-R320 PolarHBondContact O-N 2.88Å; R320-K322 VanDerWaalsContact C-N 3.34Å; R320-K322 PolarHBondContact O-N 2.91Å; R320-A324 PolarHBondContact O-N 3.34Å
321	Q	37.5	Very low	38.7	Very low	125 Å²	125	112.4 Å²	112.4	58%	0.584	59%	0.591	S	S	*	*	H	α-helix	trans	-68.3	-27.4	176.8	-74.5	-178	-36.5	0	0	113.8	K317 H319	K317-Q321 PolarHBondContact O-N 2.71Å; H319-Q321 PolarHBondContact O-N 3.2Å
322	K	38.7	Very low	38	Very low	112 Å²	112	115.8 Å²	115.8	49%	0.487	62%	0.616	S	S	.	*	H	α-helix	trans	-74.3	-43.3	174.6	-105.4	-177.5	-179.2	-178.4	0	113	S55 L318 H319 R320 A324 R325 S326	S55-K322 WeakPolarHBondContact OG-CE 3.37Å; S55-K322 PolarHBondContact OG-NZ 2.66Å; L318-K322 PolarHBondContact O-N 3.35Å; H319-K322 PolarHBondContact O-N 3.14Å; R320-K322 VanDerWaalsContact C-N 3.34Å; R320-K322 PolarHBondContact O-N 2.91Å; K322-A324 VanDerWaalsContact C-N 3.25Å; K322-A324 PolarHBondContact O-N 3.39Å; K322-R325 PolarHBondContact O-N 3.02Å; K322-S326 PolarHBondContact O-N 3.35Å
323	L	40.2	Very low	37.8	Very low	91 Å²	91	116 Å²	116	48%	0.476	63%	0.628	S	S	.	*	H	α-helix	trans	-60.4	-35.1	-179.4	-72.3	168.7	0	0	0	112.5	H319 R325 S326	H319-L323 WeakPolarHBondContact O-CG 3.28Å; H319-L323 PolarHBondContact O-N 2.69Å; H319-L323 VanDerWaalsContact O-N 3.1Å; L323-R325 PolarHBondContact O-N 2.86Å; L323-S326 PolarHBondContact O-N 3.06Å
324	A	37.6	Very low	37.6	Very low	88 Å²	88	118.9 Å²	118.9	73%	0.727	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-13.7	175.1	0	0	0	0	0	114.4	R320 K322	R320-A324 PolarHBondContact O-N 3.34Å; K322-A324 VanDerWaalsContact C-N 3.25Å; K322-A324 PolarHBondContact O-N 3.39Å
325	R	36	Very low	37.4	Very low	233 Å²	233	118.3 Å²	118.3	88%	0.879	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-1	-178.8	-69.3	-176.4	171.7	-176.8	-2.7	114.1	K322 L323	K322-R325 PolarHBondContact O-N 3.02Å; L323-R325 PolarHBondContact O-N 2.86Å
326	S	32.2	Very low	37.1	Very low	74 Å²	74	116.3 Å²	116.3	52%	0.517	64%	0.642	S	S	.	*			trans	-116.7	43.1	-173.6	68.5	0	0	0	0	113.3	K322 L323 M328	K322-S326 PolarHBondContact O-N 3.35Å; L323-S326 PolarHBondContact O-N 3.06Å; S326-M328 VanDerWaalsContact C-N 3.29Å; S326-M328 PolarHBondContact O-N 3.04Å
327	S	35.2	Very low	36.9	Very low	105 Å²	105	116.3 Å²	116.3	73%	0.734	64%	0.639	S	S	*	*			trans	-89.6	37.6	-177.2	-157	0	0	0	0	114
328	M	36.5	Very low	36.6	Very low	161 Å²	161	113.6 Å²	113.6	79%	0.793	64%	0.642	S	S	*	*	S	Bend	trans	-147.6	153.4	168.7	-75.7	-57.3	159.9	0	0	110.8	S326	S326-M328 VanDerWaalsContact C-N 3.29Å; S326-M328 PolarHBondContact O-N 3.04Å
329	Q	33.4	Very low	36.6	Very low	165 Å²	165	112.7 Å²	112.7	77%	0.771	64%	0.643	S	S	*	*	S	Bend	trans	42.5	98.7	174	-96.4	73.6	-5.7	0	0	118.4
330	S	30.1	Very low	36.4	Very low	118 Å²	118	112.6 Å²	112.6	83%	0.825	64%	0.644	S	S	*	*				158.3	131.6	105.7	-70.2	0	0	0	0	112.7
331	G	41	Very low	36.2	Very low	70 Å²	70	106.5 Å²	106.5	72%	0.722	63%	0.625	S	S	*	*			trans	-82.8	139.3	179.8	0	0	0	0	0	114.3
332	S	30.7	Very low	36.1	Very low	95 Å²	95	101.8 Å²	101.8	66%	0.664	61%	0.605	S	S	*	*			trans	-147.2	149.5	157.3	56.6	0	0	0	0	109.4
333	S	34.6	Very low	35.8	Very low	125 Å²	125	102.5 Å²	102.5	87%	0.874	61%	0.613	S	S	*	*			trans	-75.3	132.2	-163.6	-50.6	0	0	0	0	113.7
334	M	36.6	Very low	35.7	Very low	123 Å²	123	105.4 Å²	105.4	61%	0.606	62%	0.619	S	S	*	*			trans	-130.3	44.5	-173.2	-62.3	-177.6	70.1	0	0	114	T336 I337	M334-T336 VanDerWaalsContact C-N 3.3Å; M334-T336 PolarHBondContact O-N 2.8Å; M334-I337 HydrophobicContact CE-CD1 3.46Å; M334-I337 VanDerWaalsContact CE-CD1 3.46Å; M334-I337 PolarHBondContact O-N 3.27Å
335	S	37.9	Very low	35.7	Very low	88 Å²	88	102.1 Å²	102.1	62%	0.615	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-56.9	-36.2	-176.1	52.5	0	0	0	0	114.5	I337	S335-I337 PolarHBondContact O-N 3.23Å
336	T	38.6	Very low	35.7	Very low	89 Å²	89	96.3 Å²	96.3	55%	0.546	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-79.6	-11.5	-171.8	49.1	0	0	0	0	115.5	M334	M334-T336 VanDerWaalsContact C-N 3.3Å; M334-T336 PolarHBondContact O-N 2.8Å
337	I	39	Very low	35.8	Very low	74 Å²	74	96.3 Å²	96.3	38%	0.379	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-84	-16.9	-173.9	-94.8	167.3	0	0	0	114.1	M334 S335 S339 M340 M341	M334-I337 HydrophobicContact CE-CD1 3.46Å; M334-I337 VanDerWaalsContact CE-CD1 3.46Å; M334-I337 PolarHBondContact O-N 3.27Å; S335-I337 PolarHBondContact O-N 3.23Å; I337-S339 PolarHBondContact O-N 2.88Å; I337-M340 PolarHBondContact O-N 3.3Å; I337-M340 VanDerWaalsContact O-N 3.09Å; I337-M341 HydrophobicContact CG2-CG 3.86Å; I337-M341 HydrophobicContact CG2-SD 3.8Å
338	G	36.3	Very low	36	Very low	52 Å²	52	94.5 Å²	94.5	54%	0.536	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-58.4	-18.4	-176.7	0	0	0	0	0	115.9
339	S	36.3	Very low	36	Very low	73 Å²	73	92.4 Å²	92.4	51%	0.51	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-80.4	-26	178.7	-163.5	0	0	0	0	114	I337	I337-S339 PolarHBondContact O-N 2.88Å
340	M	34.8	Very low	36.5	Very low	120 Å²	120	88.1 Å²	88.1	59%	0.591	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-25.8	-179.9	-70.7	-178.1	70.4	0	0	113.4	I337 S342 I343 Y344	I337-M340 PolarHBondContact O-N 3.3Å; I337-M340 VanDerWaalsContact O-N 3.09Å; M340-S342 PolarHBondContact O-N 3.26Å; M340-S342 VanDerWaalsContact O-N 3.13Å; M340-I343 PolarHBondContact O-N 2.91Å; M340-Y344 WeakPolarHBondContact O-CD2 2.82Å
341	M	37.6	Very low	37.1	Very low	56 Å²	56	84.9 Å²	84.9	28%	0.276	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.3	-169.5	-61.4	-165	78.6	0	0	115.2	I337 I343 S345 R453	I337-M341 HydrophobicContact CG2-CG 3.86Å; I337-M341 HydrophobicContact CG2-SD 3.8Å; M341-I343 VanDerWaalsContact C-N 3.34Å; M341-I343 PolarHBondContact O-N 2.89Å; M341-S345 PolarHBondContact O-OG 3.31Å; M341-R453 HydrophobicContact CE-CB 4.31Å; M341-R453 HydrophobicContact CE-CG 4.06Å
342	S	34.8	Very low	37.5	Very low	25 Å²	25	88.4 Å²	88.4	18%	0.175	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.9	-178.7	70.7	0	0	0	0	115.2	M340 K409	M340-S342 PolarHBondContact O-N 3.26Å; M340-S342 VanDerWaalsContact O-N 3.13Å; S342-K409 PolarHBondContact OG-NZ 3.35Å
343	I	33.2	Very low	38.9	Very low	127 Å²	127	86.3 Å²	86.3	65%	0.651	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-43	175.1	-59.7	178.4	0	0	0	109.9	M340 M341 S345 E346	M340-I343 PolarHBondContact O-N 2.91Å; M341-I343 VanDerWaalsContact C-N 3.34Å; M341-I343 PolarHBondContact O-N 2.89Å; I343-S345 PolarHBondContact O-N 3.35Å; I343-E346 PolarHBondContact O-N 3.28Å
344	Y	37.3	Very low	40.6	Very low	153 Å²	153	88.4 Å²	88.4	60%	0.6	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-0.9	170	-58.8	-79.1	0	0	0	114.3	M340 E346	M340-Y344 WeakPolarHBondContact O-CD2 2.82Å; Y344-E346 PolarHBondContact O-N 2.84Å
345	S	38.2	Very low	42.7	Very low	19 Å²	19	84.2 Å²	84.2	13%	0.133	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	8.9	173.7	-59.4	0	0	0	0	113.8	M341 I343 F350 K482	M341-S345 PolarHBondContact O-OG 3.31Å; I343-S345 PolarHBondContact O-N 3.35Å; S345-F350 VanDerWaalsContact O-CE1 3.28Å; S345-F350 WeakPolarHBondContact O-CE1 3.18Å; S345-F350 WeakPolarHBondContact O-CZ 3.45Å; S345-K482 PolarHBondContact O-NZ 3.31Å
346	E	35.1	Very low	44.6	Very low	111 Å²	111	83.1 Å²	83.1	52%	0.519	48%	0.479	S	S	.	.	S	Bend	trans	-118.3	-11.1	175.7	-157.6	148.5	-144.5	0	0	112.2	I343 Y344 G348 K404	I343-E346 PolarHBondContact O-N 3.28Å; Y344-E346 PolarHBondContact O-N 2.84Å; E346-G348 VanDerWaalsContact C-N 3.3Å; E346-G348 PolarHBondContact O-N 2.96Å; E346-K404 IonicContact OE1-NZ 2.88Å; E346-K404 PolarHBondContact OE1-NZ 3.44Å
347	A	35	Very low	46.9	Very low	74 Å²	74	79.5 Å²	79.5	61%	0.612	46%	0.46	S	S	*	.	S	Bend	trans	-83.6	56.3	-175.6	0	0	0	0	0	114.3	D349	A347-D349 VanDerWaalsContact C-N 3.29Å; A347-D349 PolarHBondContact O-N 3.29Å
348	G	38.8	Very low	49.4	Very low	67 Å²	67	81.6 Å²	81.6	69%	0.691	46%	0.463	S	S	*	.	S	Bend	trans	62.5	6.5	151.1	0	0	0	0	0	120.5	E346	E346-G348 VanDerWaalsContact C-N 3.3Å; E346-G348 PolarHBondContact O-N 2.96Å
349	D	37.7	Very low	52.1	Low	117 Å²	117	79.1 Å²	79.1	63%	0.626	44%	0.437	S	S	*	.			trans	-128.2	60.8	-175.7	-168.8	30.9	0	0	0	110.2	A347 R453	A347-D349 VanDerWaalsContact C-N 3.29Å; A347-D349 PolarHBondContact O-N 3.29Å; D349-R453 IonicContact OD2-NH1 2.62Å; D349-R453 PolarHBondContact OD2-NH1 3.39Å
350	F	43.4	Very low	54.8	Low	75 Å²	75	76 Å²	76	33%	0.329	42%	0.417	S	S	.	.			trans	-76.3	122.2	171.2	-52.5	-71.9	0	0	0	108.4	S345 N352 W446 F456 K482	S345-F350 VanDerWaalsContact O-CE1 3.28Å; S345-F350 WeakPolarHBondContact O-CE1 3.18Å; S345-F350 WeakPolarHBondContact O-CZ 3.45Å; F350-N352 PolarHBondContact O-N 2.98Å; F350-W446 HydrophobicContact CE1-CH2 4.35Å; F350-F456 HydrophobicContact CD1-CB 4.12Å; F350-K482 HydrophobicContact CD1-CD 4.41Å; F350-K482 HydrophobicContact CE1-CD 3.65Å; F350-K482 HydrophobicContact CE2-CB 4.39Å; F350-K482 HydrophobicContact CE2-CD 3.79Å; F350-K482 HydrophobicContact CZ-CD 3.31Å
351	G	42.9	Very low	57.5	Low	49 Å²	49	70.3 Å²	70.3	51%	0.505	39%	0.389	S	S	.	.			trans	-54	134.4	176.5	0	0	0	0	0	110.6	I353	G351-I353 VanDerWaalsContact C-N 3.26Å; G351-I353 PolarHBondContact O-N 2.81Å
352	N	47.8	Very low	60	Low	144 Å²	144	69 Å²	69	77%	0.77	39%	0.385	S	S	*	.			trans	-67.7	76.5	-167.7	-172.5	91.1	0	0	0	112.4	F350	F350-N352 PolarHBondContact O-N 2.98Å
353	I	61.9	Low	62.7	Low	51 Å²	51	68 Å²	68	26%	0.262	38%	0.378	S	S	.	.			trans	-114.5	125.1	-176.6	-70.9	161.2	0	0	0	108	G351 V355 A383 T455	G351-I353 VanDerWaalsContact C-N 3.26Å; G351-I353 PolarHBondContact O-N 2.81Å; I353-V355 PolarHBondContact O-N 2.77Å; I353-V355 VanDerWaalsContact O-N 3.15Å; I353-A383 HydrophobicContact CG2-CB 3.64Å; I353-T455 HydrophobicContact CD1-CG2 3.23Å
354	F	69.3	Low	65.3	Low	169 Å²	169	65.8 Å²	65.8	74%	0.741	36%	0.363	S	S	*	.			trans	-65.4	112.2	170	-57.7	-78.5	0	0	0	108.3	T356 A383	F354-T356 PolarHBondContact O-N 3.16Å; F354-A383 WeakPolarHBondContact O-CB 3.24Å
355	V	80.1	Confident	67.7	Low	36 Å²	36	59.4 Å²	59.4	22%	0.218	34%	0.338	C	S	.	.			trans	-69.1	128.8	178	166.4	0	0	0	0	109.2	I353 F456 L457 L479	I353-V355 PolarHBondContact O-N 2.77Å; I353-V355 VanDerWaalsContact O-N 3.15Å; V355-F456 HydrophobicContact CG2-CD1 4.26Å; V355-F456 HydrophobicContact CG2-CE1 4.04Å; V355-L457 WeakPolarHBondContact CG1-O 3.42Å; V355-L479 HydrophobicContact CG1-CB 4.07Å
356	T	79.5	Confident	70.1	Confident	64 Å²	64	60.4 Å²	60.4	39%	0.393	34%	0.341	S	S	.	.			trans	-134.3	158.8	176.6	65.6	0	0	0	0	110.2	F354 Q381 A383	F354-T356 PolarHBondContact O-N 3.16Å; T356-Q381 CarbonylContact C-O 3.49Å; T356-Q381 VanDerWaalsContact C-O 3.3Å; T356-Q381 WeakPolarHBondContact CB-O 3.17Å; T356-Q381 PolarHBondContact OG1-O 2.79Å; T356-A383 WeakPolarHBondContact OG1-CA 3.37Å; T356-A383 PolarHBondContact OG1-N 3.03Å; T356-A383 VanDerWaalsContact OG1-N 3.15Å
357	G	86.4	Confident	72.5	Confident	14 Å²	14	61.6 Å²	61.6	14%	0.144	35%	0.346	C	S	.	.			trans	104.8	-174.3	169	0	0	0	0	0	114.7	H380 Q381 L479	G357-H380 CarbonylContact C-O 3.59Å; G357-H380 WeakPolarHBondContact CA-O 3.38Å; G357-Q381 VanDerWaalsContact CA-O 3.26Å; G357-Q381 WeakPolarHBondContact CA-O 3.46Å; G357-Q381 PolarHBondContact N-O 3.22Å; G357-L479 PolarHBondContact O-N 3.35Å
358	R	90.1	Very high	75	Confident	117 Å²	117	67.2 Å²	67.2	44%	0.442	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.5	-175.2	-51.4	-172.9	71.4	138.5	-7.6	110.4	C379 H380 C476 L477	R358-C379 CarbonylContact O-C 3.55Å; R358-C379 WeakPolarHBondContact O-CA 3.17Å; R358-C379 WeakPolarHBondContact O-CB 3.42Å; R358-H380 PolarHBondContact N-O 2.89Å; R358-H380 PolarHBondContact O-N 3.43Å; R358-C476 PolarHBondContact NE-SG 3.42Å; R358-C476 VanDerWaalsContact NE-SG 3.44Å; R358-C476 PolarHBondContact NH2-O 3.49Å; R358-L477 CarbonylContact C-O 3.44Å; R358-L477 WeakPolarHBondContact CA-O 3.05Å; R358-L477 WeakPolarHBondContact CB-O 3.4Å
359	I	93.5	Very high	77.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.5	172.3	-177	164.3	0	0	0	110.4	F361 V376 V396 F443 A460 C476 L477 L479	I359-F361 HydrophobicContact CG1-CD1 4.39Å; I359-F361 HydrophobicContact CG2-CD1 4.44Å; I359-V376 HydrophobicContact CD1-CG1 4.4Å; I359-V396 HydrophobicContact CD1-CG1 3.8Å; I359-V396 HydrophobicContact CD1-CG2 4.02Å; I359-F443 HydrophobicContact CD1-CB 4.01Å; I359-F443 HydrophobicContact CD1-CD1 3.53Å; I359-F443 HydrophobicContact CD1-CE1 4.29Å; I359-F443 HydrophobicContact CD1-CG 4.02Å; I359-A460 HydrophobicContact CG2-CB 4.05Å; I359-C476 CarbonylContact O-C 3.41Å; I359-C476 WeakPolarHBondContact O-CA 3.33Å; I359-L477 HydrophobicContact CG2-CB 4.37Å; I359-L477 PolarHBondContact N-O 3Å; I359-L477 PolarHBondContact O-N 2.96Å; I359-L479 HydrophobicContact CB-CD2 4.15Å; I359-L479 HydrophobicContact CG2-CD2 3.84Å; I359-L479 HydrophobicContact CG2-CG 4.43Å
360	A	92.6	Very high	79.7	Confident	9 Å²	9	67.1 Å²	67.1	7%	0.074	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.2	177.2	0	0	0	0	0	110.6	K377 E378 H475	A360-K377 HydrophobicContact CB-CB 4.47Å; A360-K377 WeakPolarHBondContact O-CB 3.28Å; A360-K377 PolarHBondContact O-N 3.26Å; A360-E378 HydrophobicContact CB-CG 3.88Å; A360-E378 PolarHBondContact N-O 2.99Å; A360-E378 PolarHBondContact O-N 3.23Å; A360-H475 VanDerWaalsContact CA-O 3.3Å; A360-H475 WeakPolarHBondContact CA-O 3.28Å
361	F	92.6	Very high	82	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	165.3	-175.3	62.6	-83.6	0	0	0	111.1	I359 L363 H375 F443 I462 W467 H475 L477	I359-F361 HydrophobicContact CG1-CD1 4.39Å; I359-F361 HydrophobicContact CG2-CD1 4.44Å; F361-L363 HydrophobicContact CD2-CD2 3.91Å; F361-L363 HydrophobicContact CD2-CG 3.92Å; F361-L363 HydrophobicContact CE2-CD1 4.17Å; F361-L363 HydrophobicContact CE2-CD2 4.29Å; F361-L363 HydrophobicContact CE2-CG 3.93Å; F361-H375 CarbonylContact C-O 3.56Å; F361-H375 WeakPolarHBondContact CA-O 3.33Å; F361-H375 WeakPolarHBondContact CB-O 3.23Å; F361-F443 HydrophobicContact CB-CE1 4.26Å; F361-F443 HydrophobicContact CB-CZ 4.34Å; F361-F443 HydrophobicContact CD1-CE1 4.45Å; F361-F443 HydrophobicContact CD1-CZ 4.17Å; F361-F443 HydrophobicContact CD2-CE2 4.47Å; F361-F443 AromaticContact CD2-CZ 3.83Å; F361-F443 HydrophobicContact CD2-CZ 3.83Å; F361-F443 HydrophobicContact CE2-CE2 4.46Å; F361-F443 HydrophobicContact CE2-CZ 4.25Å; F361-F443 HydrophobicContact CG-CE1 4.15Å; F361-F443 AromaticContact CG-CZ 3.82Å; F361-F443 HydrophobicContact CG-CZ 3.82Å; F361-I462 HydrophobicContact CE1-CD1 4.15Å; F361-I462 HydrophobicContact CE2-CD1 3.45Å; F361-I462 VanDerWaalsContact CE2-CD1 3.45Å; F361-I462 HydrophobicContact CZ-CD1 3.23Å; F361-W467 AromaticContact CE2-CZ2 3.87Å; F361-W467 HydrophobicContact CE2-CZ2 3.87Å; F361-W467 HydrophobicContact CZ-CH2 4.13Å; F361-W467 AromaticContact CZ-CZ2 3.84Å; F361-W467 HydrophobicContact CZ-CZ2 3.84Å; F361-H475 WeakPolarHBondContact CD1-O 3.18Å; F361-H475 HydrophobicContact CD2-CB 4.35Å; F361-H475 HydrophobicContact CE1-CB 4.08Å; F361-H475 HydrophobicContact CE2-CB 3.75Å; F361-H475 AromaticContact CE2-CD2 3.99Å; F361-H475 HydrophobicContact CZ-CB 3.56Å; F361-H475 PolarHBondContact N-O 3.22Å; F361-H475 PolarHBondContact O-N 2.85Å; F361-L477 HydrophobicContact CE1-CB 4.29Å; F361-L477 HydrophobicContact CE1-CD1 3.79Å; F361-L477 HydrophobicContact CE1-CG 3.83Å; F361-L477 HydrophobicContact CZ-CD1 3.71Å; F361-L477 HydrophobicContact CZ-CG 4Å
362	S	90.8	Very high	84.2	Confident	28 Å²	28	61.4 Å²	61.4	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.2	164.6	61.8	0	0	0	0	111.2	H375	S362-H375 PolarHBondContact N-O 2.83Å; S362-H375 PolarHBondContact O-N 2.94Å; S362-H375 PolarHBondContact OG-CE1 2.9Å
363	L	89.8	Confident	86.3	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137	-177.4	-57.7	-175.6	0	0	0	110	F361 V374 L441 I462 M464 W467 L469	F361-L363 HydrophobicContact CD2-CD2 3.91Å; F361-L363 HydrophobicContact CD2-CG 3.92Å; F361-L363 HydrophobicContact CE2-CD1 4.17Å; F361-L363 HydrophobicContact CE2-CD2 4.29Å; F361-L363 HydrophobicContact CE2-CG 3.93Å; L363-V374 HydrophobicContact CD2-CB 4.12Å; L363-V374 HydrophobicContact CD2-CG1 3.82Å; L363-V374 HydrophobicContact CD2-CG2 3.96Å; L363-L441 HydrophobicContact CD1-CD2 4.01Å; L363-L441 HydrophobicContact CD2-CD2 3.63Å; L363-I462 HydrophobicContact CD1-CD1 4.44Å; L363-M464 HydrophobicContact CD1-CE 3.97Å; L363-W467 HydrophobicContact CD1-CG 4.41Å; L363-L469 HydrophobicContact CB-CD1 3.56Å; L363-L469 HydrophobicContact CD1-CD1 4.18Å
364	K	88.2	Confident	87.8	Confident	79 Å²	79	52.7 Å²	52.7	34%	0.343	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.3	176.8	170.8	-165.1	177.1	-164.2	0	108.8	E366 V373 K471	K364-E366 WeakPolarHBondContact CE-OE1 2.99Å; K364-E366 IonicContact NZ-OE1 2.69Å; K364-E366 PolarHBondContact NZ-OE1 2.92Å; K364-V373 HydrophobicContact CB-CB 4.3Å; K364-V373 PolarHBondContact N-O 2.82Å; K364-V373 WeakPolarHBondContact O-CA 3.3Å; K364-V373 VanDerWaalsContact O-CB 3.29Å; K364-V373 WeakPolarHBondContact O-CB 3.39Å; K364-V373 PolarHBondContact O-N 3Å; K364-K471 HydrophobicContact CG-CG 4.35Å
365	Y	88.2	Confident	89	Confident	20 Å²	20	46.8 Å²	46.8	8%	0.078	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.1	162.4	-173.9	-116.2	0	0	0	110.6	Q367 Q370 S371 I431 E433 L436 L469	Y365-Q367 HydrophobicContact CD1-CB 4.14Å; Y365-Q367 HydrophobicContact CE1-CB 3.91Å; Y365-Q367 HydrophobicContact CE1-CG 4.03Å; Y365-Q370 WeakPolarHBondContact OH-CA 3.38Å; Y365-S371 VanDerWaalsContact CD2-O 3.28Å; Y365-S371 WeakPolarHBondContact CD2-O 3.48Å; Y365-I431 WeakPolarHBondContact CE2-O 3.23Å; Y365-E433 HydrophobicContact CD1-CB 4.42Å; Y365-E433 HydrophobicContact CD1-CG 4.06Å; Y365-E433 HydrophobicContact CE1-CB 3.64Å; Y365-E433 VanDerWaalsContact CE1-CD 3.48Å; Y365-E433 HydrophobicContact CE1-CG 3.75Å; Y365-E433 VanDerWaalsContact CE1-OE2 3.25Å; Y365-E433 WeakPolarHBondContact CE1-OE2 3.03Å; Y365-E433 PolarHBondContact OH-N 3.49Å; Y365-L436 HydrophobicContact CD2-CD2 4.31Å; Y365-L469 VanDerWaalsContact CB-CD2 3.41Å
366	E	89.3	Confident	89.6	Confident	39 Å²	39	45.1 Å²	45.1	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	83.2	-179.4	-168.7	151.7	-92.9	0	0	108.6	K364 Q368 T369 Q370 S371 V373 R428	K364-E366 WeakPolarHBondContact CE-OE1 2.99Å; K364-E366 IonicContact NZ-OE1 2.69Å; K364-E366 PolarHBondContact NZ-OE1 2.92Å; E366-Q368 PolarHBondContact O-N 3.1Å; E366-Q368 VanDerWaalsContact O-N 3.11Å; E366-T369 WeakPolarHBondContact CG-OG1 3.17Å; E366-T369 CarbonylContact O-C 3.56Å; E366-T369 PolarHBondContact O-N 3.42Å; E366-T369 PolarHBondContact O-OG1 2.77Å; E366-Q370 PolarHBondContact O-N 2.86Å; E366-Q370 VanDerWaalsContact O-N 3.1Å; E366-S371 PolarHBondContact N-O 2.96Å; E366-S371 PolarHBondContact O-N 3.11Å; E366-V373 HydrophobicContact CB-CG2 4.14Å; E366-R428 IonicContact OE2-CZ 2.71Å; E366-R428 VanDerWaalsContact OE2-CZ 3.28Å; E366-R428 IonicContact OE2-NH1 2.67Å; E366-R428 PolarHBondContact OE2-NH1 3.18Å; E366-R428 IonicContact OE2-NH2 3.24Å; E366-R428 PolarHBondContact OE2-NH2 2.92Å
367	Q	85.6	Confident	90.3	Very high	137 Å²	137	44.6 Å²	44.6	64%	0.64	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-55.3	-32.6	-170	-164.6	173	57.8	0	0	113.7	Y365 T369 Q370 E433	Y365-Q367 HydrophobicContact CD1-CB 4.14Å; Y365-Q367 HydrophobicContact CE1-CB 3.91Å; Y365-Q367 HydrophobicContact CE1-CG 4.03Å; Q367-T369 VanDerWaalsContact C-N 3.27Å; Q367-T369 PolarHBondContact O-N 2.88Å; Q367-Q370 PolarHBondContact O-N 3.4Å; Q367-E433 PolarHBondContact NE2-OE2 3.01Å
368	Q	87.1	Confident	90.6	Very high	192 Å²	192	46.6 Å²	46.6	90%	0.897	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-61.2	-28.7	173.9	-69.7	178.5	-18	0	0	114.2	E366	E366-Q368 PolarHBondContact O-N 3.1Å; E366-Q368 VanDerWaalsContact O-N 3.11Å
369	T	86.4	Confident	90.8	Very high	76 Å²	76	41 Å²	41	47%	0.466	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-113.3	6.1	-179.5	59.6	0	0	0	0	112.7	E366 Q367 S371	E366-T369 WeakPolarHBondContact CG-OG1 3.17Å; E366-T369 CarbonylContact O-C 3.56Å; E366-T369 PolarHBondContact O-N 3.42Å; E366-T369 PolarHBondContact O-OG1 2.77Å; Q367-T369 VanDerWaalsContact C-N 3.27Å; Q367-T369 PolarHBondContact O-N 2.88Å; T369-S371 PolarHBondContact O-N 3.33Å; T369-S371 VanDerWaalsContact O-N 3.15Å; T369-S371 PolarHBondContact OG1-OG 3.3Å
370	Q	89.2	Confident	90.7	Very high	105 Å²	105	44.6 Å²	44.6	49%	0.491	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	40	47.3	-169	-60.9	-166.3	-3	0	0	113.1	Y365 E366 Q367 I431	Y365-Q370 WeakPolarHBondContact OH-CA 3.38Å; E366-Q370 PolarHBondContact O-N 2.86Å; E366-Q370 VanDerWaalsContact O-N 3.1Å; Q367-Q370 PolarHBondContact O-N 3.4Å; Q370-I431 CarbonylContact O-C 3.51Å; Q370-I431 PolarHBondContact O-N 2.77Å; Q370-I431 VanDerWaalsContact O-O 3.05Å
371	S	90.2	Very high	90.5	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.028	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.3	-176.9	72.5	0	0	0	0	114	Y365 E366 T369 R428 Y429	Y365-S371 VanDerWaalsContact CD2-O 3.28Å; Y365-S371 WeakPolarHBondContact CD2-O 3.48Å; E366-S371 PolarHBondContact N-O 2.96Å; E366-S371 PolarHBondContact O-N 3.11Å; T369-S371 PolarHBondContact O-N 3.33Å; T369-S371 VanDerWaalsContact O-N 3.15Å; T369-S371 PolarHBondContact OG1-OG 3.3Å; S371-R428 PolarHBondContact OG-NH1 2.75Å; S371-R428 VanDerWaalsContact OG-NH1 3.08Å; S371-Y429 CarbonylContact C-O 3.53Å; S371-Y429 WeakPolarHBondContact CA-O 3.32Å; S371-Y429 WeakPolarHBondContact CB-O 3.17Å
372	L	90.6	Very high	90.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122	164.4	175	71.7	0	0	0	108.6	V374 L400 R428 Y429 I431 L436 M464 L469	L372-V374 HydrophobicContact CD2-CG2 3.85Å; L372-V374 HydrophobicContact CG-CG2 3.92Å; L372-L400 HydrophobicContact CD2-CD1 4.46Å; L372-R428 WeakPolarHBondContact O-CA 3.48Å; L372-Y429 PolarHBondContact N-O 3.18Å; L372-Y429 PolarHBondContact O-N 2.81Å; L372-I431 HydrophobicContact CB-CG2 4.35Å; L372-L436 HydrophobicContact CD1-CD2 4.3Å; L372-L436 HydrophobicContact CD2-CD1 3.97Å; L372-M464 HydrophobicContact CD2-SD 4.31Å; L372-L469 HydrophobicContact CD1-CD1 4.34Å; L372-L469 HydrophobicContact CD1-CD2 4.29Å
373	V	91.8	Very high	90.1	Very high	13 Å²	13	49.9 Å²	49.9	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.6	177.7	-170.8	0	0	0	0	107.8	K364 E366 T426 R428	K364-V373 HydrophobicContact CB-CB 4.3Å; K364-V373 PolarHBondContact N-O 2.82Å; K364-V373 WeakPolarHBondContact O-CA 3.3Å; K364-V373 VanDerWaalsContact O-CB 3.29Å; K364-V373 WeakPolarHBondContact O-CB 3.39Å; K364-V373 PolarHBondContact O-N 3Å; E366-V373 HydrophobicContact CB-CG2 4.14Å; V373-T426 HydrophobicContact CG1-CG2 3.38Å; V373-R428 HydrophobicContact CG2-CG 4.43Å
374	V	92.9	Very high	89.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105	179.3	-177.9	0	0	0	0	108.3	L363 L372 V376 L427 Y429 L441 F443	L363-V374 HydrophobicContact CD2-CB 4.12Å; L363-V374 HydrophobicContact CD2-CG1 3.82Å; L363-V374 HydrophobicContact CD2-CG2 3.96Å; L372-V374 HydrophobicContact CD2-CG2 3.85Å; L372-V374 HydrophobicContact CG-CG2 3.92Å; V374-V376 HydrophobicContact CG1-CG2 4.39Å; V374-L427 HydrophobicContact CB-CB 4.38Å; V374-L427 PolarHBondContact N-O 2.91Å; V374-L427 PolarHBondContact O-N 2.82Å; V374-Y429 HydrophobicContact CG2-CD2 3.98Å; V374-Y429 HydrophobicContact CG2-CE2 3.98Å; V374-L441 HydrophobicContact CG1-CD2 4.15Å; V374-L441 HydrophobicContact CG2-CD1 4.22Å; V374-L441 HydrophobicContact CG2-CD2 3.86Å; V374-F443 HydrophobicContact CG1-CE1 3.75Å; V374-F443 HydrophobicContact CG1-CZ 3.78Å
375	H	93.3	Very high	89.2	Confident	45 Å²	45	51.2 Å²	51.2	21%	0.208	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	105.5	179.4	-174.4	-134.4	0	0	0	110.4	F361 S362 K377 D424 T426	F361-H375 CarbonylContact C-O 3.56Å; F361-H375 WeakPolarHBondContact CA-O 3.33Å; F361-H375 WeakPolarHBondContact CB-O 3.23Å; S362-H375 PolarHBondContact N-O 2.83Å; S362-H375 PolarHBondContact O-N 2.94Å; S362-H375 PolarHBondContact OG-CE1 2.9Å; H375-K377 WeakPolarHBondContact CE1-CE 3.41Å; H375-K377 VanDerWaalsContact CE1-CG 3.49Å; H375-K377 WeakPolarHBondContact CE1-CG 3.42Å; H375-K377 VanDerWaalsContact NE2-CE 3.33Å; H375-K377 WeakPolarHBondContact NE2-CE 3.38Å; H375-K377 PolarHBondContact O-N 3.08Å; H375-D424 IonicContact NE2-OD1 3.88Å; H375-D424 PolarHBondContact NE2-OD1 3.15Å; H375-T426 PolarHBondContact CD2-OG1 2.78Å; H375-T426 VanDerWaalsContact CD2-OG1 3.31Å
376	V	94.3	Very high	88.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	107.5	177.2	-174.6	0	0	0	0	108.2	I359 V374 V396 T412 Y423 D424 E425 L427 F443	I359-V376 HydrophobicContact CD1-CG1 4.4Å; V374-V376 HydrophobicContact CG1-CG2 4.39Å; V376-V396 HydrophobicContact CG1-CB 4.43Å; V376-V396 HydrophobicContact CG1-CG2 4.04Å; V376-T412 HydrophobicContact CB-CG2 3.99Å; V376-T412 HydrophobicContact CG1-CG2 4Å; V376-T412 HydrophobicContact CG2-CG2 4.15Å; V376-Y423 HydrophobicContact CG1-CD2 3.83Å; V376-Y423 HydrophobicContact CG1-CG 4.24Å; V376-Y423 WeakPolarHBondContact O-CB 3.37Å; V376-D424 PolarHBondContact O-N 2.91Å; V376-E425 PolarHBondContact N-O 2.98Å; V376-E425 PolarHBondContact O-N 3.43Å; V376-L427 HydrophobicContact CG2-CD1 3.99Å; V376-L427 HydrophobicContact CG2-CG 4.49Å; V376-F443 HydrophobicContact CG2-CE1 4.24Å
377	K	93.2	Very high	87.5	Confident	54 Å²	54	58.5 Å²	58.5	24%	0.235	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-64.1	-179.2	-70.9	-165.5	162.7	-166.4	0	111	A360 H375 Y423 D424 D474	A360-K377 HydrophobicContact CB-CB 4.47Å; A360-K377 WeakPolarHBondContact O-CB 3.28Å; A360-K377 PolarHBondContact O-N 3.26Å; H375-K377 WeakPolarHBondContact CE1-CE 3.41Å; H375-K377 VanDerWaalsContact CE1-CG 3.49Å; H375-K377 WeakPolarHBondContact CE1-CG 3.42Å; H375-K377 VanDerWaalsContact NE2-CE 3.33Å; H375-K377 WeakPolarHBondContact NE2-CE 3.38Å; H375-K377 PolarHBondContact O-N 3.08Å; K377-Y423 WeakPolarHBondContact O-CA 3.45Å; K377-Y423 PolarHBondContact O-N 2.88Å; K377-D424 PolarHBondContact O-N 2.81Å; K377-D474 WeakPolarHBondContact CD-OD1 3.47Å; K377-D474 WeakPolarHBondContact CE-OD1 3.34Å; K377-D474 IonicContact NZ-OD1 3.09Å; K377-D474 PolarHBondContact NZ-OD1 3.31Å; K377-D474 IonicContact NZ-OD2 2.68Å; K377-D474 PolarHBondContact NZ-OD2 3.2Å
378	E	93.4	Very high	86.6	Confident	56 Å²	56	56.7 Å²	56.7	26%	0.262	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	174.9	-174.7	62.9	-168	156.5	0	0	112.7	A360 H380 P421 L422	A360-E378 HydrophobicContact CB-CG 3.88Å; A360-E378 PolarHBondContact N-O 2.99Å; A360-E378 PolarHBondContact O-N 3.23Å; E378-H380 IonicContact OE1-CE1 2.71Å; E378-H380 PolarHBondContact OE1-CE1 3.15Å; E378-H380 IonicContact OE1-NE2 3.86Å; E378-H380 IonicContact OE2-CE1 3.26Å; E378-P421 CarbonylContact C-O 3.49Å; E378-P421 WeakPolarHBondContact CA-O 3.38Å; E378-P421 VanDerWaalsContact CB-O 3.31Å; E378-P421 WeakPolarHBondContact CB-O 3.11Å; E378-L422 HydrophobicContact CB-CB 4.37Å
379	C	94.1	Very high	85.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.9	159.8	-54.7	0	0	0	0	110	R358 L382 N420 P421	R358-C379 CarbonylContact O-C 3.55Å; R358-C379 WeakPolarHBondContact O-CA 3.17Å; R358-C379 WeakPolarHBondContact O-CB 3.42Å; C379-L382 HydrophobicContact CB-CD1 3.89Å; C379-L382 HydrophobicContact CB-CD2 3.78Å; C379-L382 HydrophobicContact CB-CG 3.84Å; C379-N420 CarbonylContact O-C 3.58Å; C379-N420 WeakPolarHBondContact O-CA 3.12Å; C379-P421 HydrophobicContact CB-CG 3.81Å; C379-P421 PolarHBondContact N-O 3.06Å; C379-P421 VanDerWaalsContact O-CD 3.3Å; C379-P421 WeakPolarHBondContact O-CD 3.45Å
380	H	91.1	Very high	85.6	Confident	74 Å²	74	57.3 Å²	57.3	34%	0.343	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.8	179.7	-73.5	95.5	0	0	0	110.3	G357 R358 E378 L382	G357-H380 CarbonylContact C-O 3.59Å; G357-H380 WeakPolarHBondContact CA-O 3.38Å; R358-H380 PolarHBondContact N-O 2.89Å; R358-H380 PolarHBondContact O-N 3.43Å; E378-H380 IonicContact OE1-CE1 2.71Å; E378-H380 PolarHBondContact OE1-CE1 3.15Å; E378-H380 IonicContact OE1-NE2 3.86Å; E378-H380 IonicContact OE2-CE1 3.26Å; H380-L382 VanDerWaalsContact C-N 3.27Å; H380-L382 PolarHBondContact O-N 3.42Å
381	Q	88.2	Confident	85.1	Confident	138 Å²	138	56.5 Å²	56.5	65%	0.645	28%	0.277	S	S	*	.	S	Bend	trans	53.5	36.7	169.6	-61.3	177.6	-18.3	0	0	114.7	T356 G357 I419 N420	T356-Q381 CarbonylContact C-O 3.49Å; T356-Q381 VanDerWaalsContact C-O 3.3Å; T356-Q381 WeakPolarHBondContact CB-O 3.17Å; T356-Q381 PolarHBondContact OG1-O 2.79Å; G357-Q381 VanDerWaalsContact CA-O 3.26Å; G357-Q381 WeakPolarHBondContact CA-O 3.46Å; G357-Q381 PolarHBondContact N-O 3.22Å; Q381-I419 PolarHBondContact N-O 2.99Å; Q381-N420 PolarHBondContact N-OD1 3.31Å
382	L	89.9	Confident	84.9	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.016	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-59.9	149.4	175.4	-64.2	-178.1	0	0	0	112.1	C379 H380 P394 I419 P421 V445 L457 L479	C379-L382 HydrophobicContact CB-CD1 3.89Å; C379-L382 HydrophobicContact CB-CD2 3.78Å; C379-L382 HydrophobicContact CB-CG 3.84Å; H380-L382 VanDerWaalsContact C-N 3.27Å; H380-L382 PolarHBondContact O-N 3.42Å; L382-P394 HydrophobicContact CD1-CB 3.49Å; L382-P394 VanDerWaalsContact CD1-CB 3.49Å; L382-P394 HydrophobicContact CD1-CG 3.89Å; L382-I419 HydrophobicContact CB-CB 4.28Å; L382-I419 WeakPolarHBondContact CB-O 2.95Å; L382-I419 WeakPolarHBondContact CG-O 3.42Å; L382-I419 PolarHBondContact N-O 3.4Å; L382-I419 VanDerWaalsContact O-CB 3.29Å; L382-I419 WeakPolarHBondContact O-CB 3.32Å; L382-I419 WeakPolarHBondContact O-CG2 3.05Å; L382-P421 HydrophobicContact CD1-CG 3.66Å; L382-V445 HydrophobicContact CD1-CG1 3.85Å; L382-V445 HydrophobicContact CD2-CG1 4.1Å; L382-L457 HydrophobicContact CD1-CD1 4.34Å; L382-L479 HydrophobicContact CD2-CD1 3.26Å
383	A	84.8	Confident	84.9	Confident	7 Å²	7	56.8 Å²	56.8	6%	0.058	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-61.5	150.9	175	0	0	0	0	0	112.6	I353 F354 T356 A385 S392 L457	I353-A383 HydrophobicContact CG2-CB 3.64Å; F354-A383 WeakPolarHBondContact O-CB 3.24Å; T356-A383 WeakPolarHBondContact OG1-CA 3.37Å; T356-A383 PolarHBondContact OG1-N 3.03Å; T356-A383 VanDerWaalsContact OG1-N 3.15Å; A383-A385 PolarHBondContact O-N 2.72Å; A383-S392 PolarHBondContact O-OG 2.79Å; A383-L457 HydrophobicContact CB-CD2 4.27Å; A383-L457 WeakPolarHBondContact O-CD2 3.37Å
384	Y	82.8	Confident	84.9	Confident	90 Å²	90	56.2 Å²	56.2	35%	0.353	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-79.7	116.5	169.5	-69.8	-66.5	0	0	0	110	D386 K390 I419	Y384-D386 VanDerWaalsContact C-N 3.28Å; Y384-D386 PolarHBondContact O-N 3.39Å; Y384-K390 HydrophobicContact CD1-CB 3.99Å; Y384-K390 WeakPolarHBondContact CD1-O 3.2Å; Y384-K390 VanDerWaalsContact CE1-C 3.49Å; Y384-K390 HydrophobicContact CE1-CB 3.73Å; Y384-K390 WeakPolarHBondContact CE1-O 3.43Å; Y384-K390 HydrophobicContact CE2-CB 4.36Å; Y384-K390 HydrophobicContact CE2-CG 4.35Å; Y384-K390 HydrophobicContact CG-CB 4.4Å; Y384-I419 HydrophobicContact CD1-CG2 3.57Å; Y384-I419 HydrophobicContact CE1-CD1 4.45Å; Y384-I419 HydrophobicContact CE1-CG2 3.4Å; Y384-I419 VanDerWaalsContact CE1-CG2 3.4Å; Y384-I419 HydrophobicContact CE2-CD1 4.43Å; Y384-I419 HydrophobicContact CG-CG2 4.27Å
385	A	77.1	Confident	85	Confident	23 Å²	23	57.1 Å²	57.1	19%	0.19	28%	0.278	C	S	.	.	S	Bend	trans	-77.2	-14.5	177.4	0	0	0	0	0	113.9	A383 S392 H447 T455 L457	A383-A385 PolarHBondContact O-N 2.72Å; A385-S392 PolarHBondContact N-OG 2.84Å; A385-S392 VanDerWaalsContact N-OG 3.14Å; A385-H447 HydrophobicContact CB-CB 3.45Å; A385-H447 VanDerWaalsContact CB-CB 3.45Å; A385-H447 WeakPolarHBondContact CB-ND1 3.11Å; A385-T455 HydrophobicContact CB-CG2 4.09Å; A385-L457 HydrophobicContact CB-CD2 3.9Å
386	D	70.9	Confident	85	Confident	51 Å²	51	55 Å²	55	27%	0.273	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-132.6	83.5	169.2	-171.3	-28.2	0	0	0	106.9	Y384 A388 K389 K390 R391	Y384-D386 VanDerWaalsContact C-N 3.28Å; Y384-D386 PolarHBondContact O-N 3.39Å; D386-A388 VanDerWaalsContact C-N 3.32Å; D386-A388 PolarHBondContact O-N 2.8Å; D386-K389 CarbonylContact O-C 3.58Å; D386-K389 PolarHBondContact O-N 2.98Å; D386-K389 VanDerWaalsContact O-N 3.13Å; D386-K389 WeakPolarHBondContact OD1-CG 3.31Å; D386-K389 PolarHBondContact OD1-N 2.8Å; D386-K389 IonicContact OD1-NZ 3.34Å; D386-K389 PolarHBondContact OD1-NZ 2.71Å; D386-K389 WeakPolarHBondContact OD2-CD 3.4Å; D386-K389 WeakPolarHBondContact OD2-CE 3.21Å; D386-K389 IonicContact OD2-NZ 3.93Å; D386-K389 PolarHBondContact OD2-NZ 2.73Å; D386-K390 WeakPolarHBondContact O-CA 3.48Å; D386-K390 PolarHBondContact O-N 2.72Å; D386-R391 PolarHBondContact N-O 2.94Å; D386-R391 PolarHBondContact O-N 2.74Å
387	E	69.9	Low	85	Confident	160 Å²	160	55.2 Å²	55.2	75%	0.748	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-60.4	-40.9	-173.5	-173.5	170.8	-156.5	0	0	112	K389 K390	E387-K389 PolarHBondContact O-N 3.1Å; E387-K389 VanDerWaalsContact O-N 3.15Å; E387-K390 WeakPolarHBondContact O-CG 3.41Å; E387-K390 PolarHBondContact O-N 2.63Å; E387-K390 VanDerWaalsContact O-N 3.1Å
388	A	67.9	Low	85	Confident	100 Å²	100	52.7 Å²	52.7	83%	0.826	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-60.9	-22.7	176.5	0	0	0	0	0	114	D386	D386-A388 VanDerWaalsContact C-N 3.32Å; D386-A388 PolarHBondContact O-N 2.8Å
389	K	72.9	Confident	84.8	Confident	133 Å²	133	51.1 Å²	51.1	58%	0.578	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-112	-4	175.6	-59.8	178	-153.6	68.6	0	113.2	D386 E387 R391	D386-K389 CarbonylContact O-C 3.58Å; D386-K389 PolarHBondContact O-N 2.98Å; D386-K389 VanDerWaalsContact O-N 3.13Å; D386-K389 WeakPolarHBondContact OD1-CG 3.31Å; D386-K389 PolarHBondContact OD1-N 2.8Å; D386-K389 IonicContact OD1-NZ 3.34Å; D386-K389 PolarHBondContact OD1-NZ 2.71Å; D386-K389 WeakPolarHBondContact OD2-CD 3.4Å; D386-K389 WeakPolarHBondContact OD2-CE 3.21Å; D386-K389 IonicContact OD2-NZ 3.93Å; D386-K389 PolarHBondContact OD2-NZ 2.73Å; E387-K389 PolarHBondContact O-N 3.1Å; E387-K389 VanDerWaalsContact O-N 3.15Å; K389-R391 VanDerWaalsContact C-N 3.34Å; K389-R391 HydrophobicContact CB-CG 3.84Å; K389-R391 VanDerWaalsContact O-CG 3.31Å; K389-R391 WeakPolarHBondContact O-CG 3.33Å; K389-R391 PolarHBondContact O-N 2.67Å
390	K	79.2	Confident	84.6	Confident	148 Å²	148	51.6 Å²	51.6	64%	0.643	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	47.8	-170.6	-62.2	-173.1	178.1	-176.6	0	113.5	Y384 D386 E387	Y384-K390 HydrophobicContact CD1-CB 3.99Å; Y384-K390 WeakPolarHBondContact CD1-O 3.2Å; Y384-K390 VanDerWaalsContact CE1-C 3.49Å; Y384-K390 HydrophobicContact CE1-CB 3.73Å; Y384-K390 WeakPolarHBondContact CE1-O 3.43Å; Y384-K390 HydrophobicContact CE2-CB 4.36Å; Y384-K390 HydrophobicContact CE2-CG 4.35Å; Y384-K390 HydrophobicContact CG-CB 4.4Å; D386-K390 WeakPolarHBondContact O-CA 3.48Å; D386-K390 PolarHBondContact O-N 2.72Å; E387-K390 WeakPolarHBondContact O-CG 3.41Å; E387-K390 PolarHBondContact O-N 2.63Å; E387-K390 VanDerWaalsContact O-N 3.1Å
391	R	78.7	Confident	84.2	Confident	87 Å²	87	49.2 Å²	49.2	33%	0.328	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-115.8	130.2	-177.4	-56.5	-173.4	79.7	161.8	11.7	113.6	D386 K389 D417	D386-R391 PolarHBondContact N-O 2.94Å; D386-R391 PolarHBondContact O-N 2.74Å; K389-R391 VanDerWaalsContact C-N 3.34Å; K389-R391 HydrophobicContact CB-CG 3.84Å; K389-R391 VanDerWaalsContact O-CG 3.31Å; K389-R391 WeakPolarHBondContact O-CG 3.33Å; K389-R391 PolarHBondContact O-N 2.67Å; R391-D417 WeakPolarHBondContact CB-OD1 3.26Å; R391-D417 WeakPolarHBondContact CG-OD1 3.28Å; R391-D417 IonicContact CZ-OD1 3.45Å; R391-D417 IonicContact CZ-OD2 3.48Å; R391-D417 IonicContact NE-OD1 2.68Å; R391-D417 PolarHBondContact NE-OD1 2.97Å; R391-D417 IonicContact NE-OD2 3.52Å; R391-D417 PolarHBondContact NE-OD2 2.76Å; R391-D417 IonicContact NH2-OD1 3.62Å; R391-D417 PolarHBondContact NH2-OD1 2.84Å; R391-D417 IonicContact NH2-OD2 2.73Å; R391-D417 PolarHBondContact NH2-OD2 3.15Å
392	S	86.9	Confident	83.7	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.007	24%	0.244	C	C	.	.			trans	-130.9	135.8	166.3	-85.9	0	0	0	0	111.7	A383 A385 P394 D417 T418 H447	A383-S392 PolarHBondContact O-OG 2.79Å; A385-S392 PolarHBondContact N-OG 2.84Å; A385-S392 VanDerWaalsContact N-OG 3.14Å; S392-P394 WeakPolarHBondContact O-CD 3.49Å; S392-D417 CarbonylContact O-C 3.59Å; S392-D417 VanDerWaalsContact O-CA 3.23Å; S392-D417 WeakPolarHBondContact O-CA 3.17Å; S392-D417 PolarHBondContact O-N 2.97Å; S392-T418 WeakPolarHBondContact CB-O 3.1Å; S392-T418 PolarHBondContact O-N 3.44Å; S392-H447 WeakPolarHBondContact CA-ND1 3.47Å
393	N	89.6	Confident	82.9	Confident	10 Å²	10	50 Å²	50	5%	0.053	26%	0.257	C	S	.	.			trans	-117.3	67.8	173.6	-56.1	-65.2	0	0	0	109.3	I414 K415 R416 D417 H447 H448	N393-I414 HydrophobicContact CB-CG2 4.25Å; N393-K415 CarbonylContact C-O 3.58Å; N393-K415 WeakPolarHBondContact CA-O 3.22Å; N393-R416 WeakPolarHBondContact OD1-CA 3.4Å; N393-D417 PolarHBondContact OD1-N 2.84Å; N393-H447 PolarHBondContact N-ND1 3.41Å; N393-H447 PolarHBondContact ND2-CE1 3.48Å; N393-H448 HydrophobicContact CB-CB 4.44Å; N393-H448 WeakPolarHBondContact CB-O 3.3Å; N393-H448 PolarHBondContact ND2-O 2.86Å; N393-H448 PolarHBondContact O-N 2.83Å
394	P	92.5	Very high	82.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	147.5	-165.7	33.7	-40	0	0	0	112.9	L382 S392 K415 T418 P421 Y423 V445 W446 L457	L382-P394 HydrophobicContact CD1-CB 3.49Å; L382-P394 VanDerWaalsContact CD1-CB 3.49Å; L382-P394 HydrophobicContact CD1-CG 3.89Å; S392-P394 WeakPolarHBondContact O-CD 3.49Å; P394-K415 WeakPolarHBondContact CD-O 3.42Å; P394-K415 PolarHBondContact O-N 2.98Å; P394-T418 VanDerWaalsContact CD-O 3.23Å; P394-T418 WeakPolarHBondContact CD-O 3.36Å; P394-T418 HydrophobicContact CG-CG2 4.2Å; P394-T418 WeakPolarHBondContact CG-O 3.49Å; P394-P421 HydrophobicContact CB-CG 4.07Å; P394-P421 HydrophobicContact CG-CB 3.55Å; P394-P421 HydrophobicContact CG-CG 3.46Å; P394-P421 VanDerWaalsContact CG-CG 3.46Å; P394-Y423 WeakPolarHBondContact CB-OH 3.28Å; P394-Y423 PolarHBondContact O-OH 3.46Å; P394-V445 HydrophobicContact CB-CG1 4.32Å; P394-W446 CarbonylContact C-O 3.54Å; P394-W446 VanDerWaalsContact CA-O 3.3Å; P394-W446 WeakPolarHBondContact CA-O 3.48Å; P394-L457 HydrophobicContact CB-CD1 4.04Å
395	Y	94.1	Very high	81.5	Confident	20 Å²	20	52.4 Å²	52.4	8%	0.078	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.2	164.5	71.3	-79.8	0	0	0	110.1	K397 S413 I414 Y423 W446 H448 N454	Y395-K397 HydrophobicContact CD2-CG 4.35Å; Y395-K397 HydrophobicContact CE2-CD 4.42Å; Y395-K397 HydrophobicContact CE2-CG 3.82Å; Y395-K397 WeakPolarHBondContact OH-CE 3.45Å; Y395-S413 VanDerWaalsContact CB-O 3.3Å; Y395-S413 WeakPolarHBondContact CB-O 3.29Å; Y395-I414 HydrophobicContact CD1-CG1 4Å; Y395-I414 HydrophobicContact CG-CG1 3.96Å; Y395-Y423 WeakPolarHBondContact CA-OH 3.5Å; Y395-Y423 PolarHBondContact N-OH 2.88Å; Y395-W446 HydrophobicContact CD1-CB 4.02Å; Y395-W446 WeakPolarHBondContact CD1-O 3.49Å; Y395-W446 HydrophobicContact CE1-CB 3.49Å; Y395-W446 VanDerWaalsContact CE1-CB 3.49Å; Y395-W446 HydrophobicContact CE2-CB 4.28Å; Y395-W446 PolarHBondContact N-O 3.4Å; Y395-W446 PolarHBondContact O-N 3.41Å; Y395-H448 HydrophobicContact CD1-CB 4.05Å; Y395-H448 HydrophobicContact CE1-CB 4.02Å; Y395-N454 PolarHBondContact OH-ND2 3.45Å
396	V	94.6	Very high	80.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139	178	-170.5	0	0	0	0	109.4	I359 V376 T398 K411 T412 Y423 F443 V445	I359-V396 HydrophobicContact CD1-CG1 3.8Å; I359-V396 HydrophobicContact CD1-CG2 4.02Å; V376-V396 HydrophobicContact CG1-CB 4.43Å; V376-V396 HydrophobicContact CG1-CG2 4.04Å; V396-T398 HydrophobicContact CG1-CG2 4.3Å; V396-K411 CarbonylContact O-C 3.4Å; V396-K411 WeakPolarHBondContact O-CA 3.5Å; V396-K411 WeakPolarHBondContact O-CB 3.5Å; V396-T412 HydrophobicContact CB-CG2 3.99Å; V396-T412 HydrophobicContact CG2-CG2 4.45Å; V396-T412 PolarHBondContact N-OG1 2.91Å; V396-T412 PolarHBondContact O-N 2.94Å; V396-Y423 HydrophobicContact CG2-CD2 4.24Å; V396-Y423 HydrophobicContact CG2-CE2 3.61Å; V396-F443 HydrophobicContact CG1-CB 4.33Å; V396-F443 HydrophobicContact CG1-CD1 4.11Å; V396-V445 HydrophobicContact CG2-CG2 4.29Å
397	K	93.7	Very high	80.2	Confident	5 Å²	5	61.1 Å²	61.1	2%	0.022	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.7	161.6	-54.7	170.2	-165	156	0	107.7	Y395 Y399 R410 F443 S444 W446	Y395-K397 HydrophobicContact CD2-CG 4.35Å; Y395-K397 HydrophobicContact CE2-CD 4.42Å; Y395-K397 HydrophobicContact CE2-CG 3.82Å; Y395-K397 WeakPolarHBondContact OH-CE 3.45Å; K397-Y399 HydrophobicContact CB-CE2 4.06Å; K397-Y399 HydrophobicContact CD-CE2 4.39Å; K397-R410 CarbonylContact C-O 3.57Å; K397-R410 WeakPolarHBondContact CA-O 3.49Å; K397-F443 WeakPolarHBondContact O-CA 3.5Å; K397-S444 PolarHBondContact N-O 3.13Å; K397-S444 PolarHBondContact O-N 3.43Å; K397-W446 HydrophobicContact CD-CG 4.38Å; K397-W446 VanDerWaalsContact NZ-NE1 3.11Å
398	T	93.4	Very high	80.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	154	165.7	57.1	0	0	0	0	111.5	V396 K409 R410 L427 Y429 Q442 F443	V396-T398 HydrophobicContact CG1-CG2 4.3Å; T398-K409 WeakPolarHBondContact O-CA 3.32Å; T398-R410 PolarHBondContact N-O 2.87Å; T398-R410 PolarHBondContact O-N 3.13Å; T398-L427 HydrophobicContact CG2-CD1 4.33Å; T398-Y429 VanDerWaalsContact CB-OH 3.29Å; T398-Y429 WeakPolarHBondContact CB-OH 3.3Å; T398-Y429 PolarHBondContact O-OH 2.87Å; T398-Y429 PolarHBondContact OG1-OH 2.9Å; T398-Q442 CarbonylContact C-O 3.5Å; T398-Q442 WeakPolarHBondContact CA-O 3.43Å; T398-F443 HydrophobicContact CG2-CB 4.39Å; T398-F443 HydrophobicContact CG2-CD1 3.31Å; T398-F443 HydrophobicContact CG2-CE1 3.67Å; T398-F443 HydrophobicContact CG2-CG 3.88Å; T398-F443 HydrophobicContact CG2-CZ 4.47Å
399	Y	89.7	Confident	81.1	Confident	23 Å²	23	51.2 Å²	51.2	9%	0.09	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.5	176.1	-62.2	-97.2	0	0	0	109.3	K397 K409 Y429 Q442	K397-Y399 HydrophobicContact CB-CE2 4.06Å; K397-Y399 HydrophobicContact CD-CE2 4.39Å; Y399-K409 HydrophobicContact CD1-CB 3.99Å; Y399-K409 HydrophobicContact CD1-CG 4.38Å; Y399-K409 HydrophobicContact CE1-CB 3.68Å; Y399-K409 HydrophobicContact CE1-CD 4.01Å; Y399-K409 HydrophobicContact CE1-CG 3.86Å; Y399-K409 HydrophobicContact CE2-CG 4.42Å; Y399-K409 WeakPolarHBondContact OH-CD 3.14Å; Y399-Y429 PolarHBondContact N-OH 3.13Å; Y399-Q442 PolarHBondContact N-O 3.28Å; Y399-Q442 PolarHBondContact O-N 2.95Å
400	L	88.2	Confident	81.9	Confident	11 Å²	11	48.4 Å²	48.4	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	84.1	175.7	-167.8	62.4	0	0	0	109.1	L372 D403 Y429 I431 L436 R439 L441 M464	L372-L400 HydrophobicContact CD2-CD1 4.46Å; L400-D403 WeakPolarHBondContact O-CB 3.18Å; L400-D403 PolarHBondContact O-N 3.24Å; L400-Y429 HydrophobicContact CB-CD1 3.9Å; L400-Y429 HydrophobicContact CB-CE1 3.83Å; L400-Y429 HydrophobicContact CD2-CD1 4.2Å; L400-Y429 HydrophobicContact CD2-CG 4.39Å; L400-I431 HydrophobicContact CD2-CB 4.44Å; L400-I431 HydrophobicContact CD2-CD1 3.66Å; L400-I431 HydrophobicContact CD2-CG2 3.97Å; L400-L436 HydrophobicContact CD1-CD1 4.32Å; L400-L436 HydrophobicContact CD2-CD1 4.46Å; L400-R439 HydrophobicContact CD1-CB 3.63Å; L400-R439 HydrophobicContact CD1-CG 4.28Å; L400-R439 HydrophobicContact CD2-CG 4.41Å; L400-R439 HydrophobicContact CG-CB 3.87Å; L400-R439 HydrophobicContact CG-CG 4.03Å; L400-L441 HydrophobicContact CD1-CB 4.32Å; L400-L441 HydrophobicContact CD1-CD1 4.44Å; L400-M464 HydrophobicContact CD1-CG 4.39Å
401	L	84.3	Confident	82.5	Confident	23 Å²	23	47.7 Å²	47.7	12%	0.12	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	144.3	-171.6	-58.5	-178.3	0	0	0	111.3	D403 K404 R439 T440 Q442 E461	L401-D403 VanDerWaalsContact CA-N 3.35Å; L401-K404 HydrophobicContact CD2-CD 4.46Å; L401-K404 HydrophobicContact CD2-CG 3.59Å; L401-R439 WeakPolarHBondContact O-CA 3.1Å; L401-R439 WeakPolarHBondContact O-CD 3.28Å; L401-T440 WeakPolarHBondContact CB-O 3.34Å; L401-T440 PolarHBondContact N-O 3.37Å; L401-T440 PolarHBondContact O-N 3.47Å; L401-Q442 HydrophobicContact CD1-CB 3.99Å; L401-Q442 HydrophobicContact CG-CB 4.13Å; L401-E461 WeakPolarHBondContact CD1-OE1 3.4Å
402	P	77.1	Confident	83.2	Confident	105 Å²	105	43.7 Å²	43.7	68%	0.682	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	cis	-76.1	3.6	7.2	28.5	-37	0	0	0	117.1	K404	P402-K404 PolarHBondContact O-N 2.91Å
403	D	73	Confident	83.4	Confident	53 Å²	53	46.2 Å²	46.2	28%	0.283	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-75	85.5	179.3	-171.5	11.5	0	0	0	113.3	L400 L401 S405 G408	L400-D403 WeakPolarHBondContact O-CB 3.18Å; L400-D403 PolarHBondContact O-N 3.24Å; L401-D403 VanDerWaalsContact CA-N 3.35Å; D403-S405 WeakPolarHBondContact OD1-CA 3.16Å; D403-S405 WeakPolarHBondContact OD1-CB 3.49Å; D403-S405 PolarHBondContact OD1-N 3.35Å; D403-S405 PolarHBondContact OD1-OG 3.39Å; D403-S405 PolarHBondContact OD2-OG 2.92Å; D403-G408 WeakPolarHBondContact OD2-CA 3.29Å
404	K	72.9	Confident	83.5	Confident	105 Å²	105	48.8 Å²	48.8	46%	0.457	24%	0.237	S	C	.	.			trans	-79.3	3.3	167.4	-72	-174	173.2	-179.5	0	113.7	E346 L401 P402	E346-K404 IonicContact OE1-NZ 2.88Å; E346-K404 PolarHBondContact OE1-NZ 3.44Å; L401-K404 HydrophobicContact CD2-CD 4.46Å; L401-K404 HydrophobicContact CD2-CG 3.59Å; P402-K404 PolarHBondContact O-N 2.91Å
405	S	65.3	Low	83.5	Confident	42 Å²	42	51.5 Å²	51.5	29%	0.294	25%	0.249	S	C	.	.	S	Bend	trans	-63.9	161.3	-172.1	77.7	0	0	0	0	113.1	D403 Q407 G408 K409	D403-S405 WeakPolarHBondContact OD1-CA 3.16Å; D403-S405 WeakPolarHBondContact OD1-CB 3.49Å; D403-S405 PolarHBondContact OD1-N 3.35Å; D403-S405 PolarHBondContact OD1-OG 3.39Å; D403-S405 PolarHBondContact OD2-OG 2.92Å; S405-Q407 PolarHBondContact O-N 2.95Å; S405-Q407 VanDerWaalsContact O-N 3.15Å; S405-Q407 PolarHBondContact OG-N 3.25Å; S405-G408 PolarHBondContact O-N 3.06Å; S405-G408 PolarHBondContact OG-N 2.7Å; S405-K409 PolarHBondContact O-N 3.44Å
406	R	62.7	Low	83.2	Confident	171 Å²	171	59.7 Å²	59.7	65%	0.645	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.7	174.8	-162.2	178.1	69.6	175.9	-2.3	112.7
407	Q	58	Low	82.8	Confident	86 Å²	86	63.8 Å²	63.8	40%	0.402	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-32.2	-178.4	-67.5	170.2	-81	0	0	112.7	Y129 S405 R410	Y129-Q407 VanDerWaalsContact CD2-NE2 3.28Å; Y129-Q407 HydrophobicContact CE2-CB 3.83Å; Y129-Q407 HydrophobicContact CE2-CG 4.22Å; Y129-Q407 VanDerWaalsContact CE2-NE2 3.28Å; Y129-Q407 VanDerWaalsContact OH-CB 3.28Å; Y129-Q407 WeakPolarHBondContact OH-CB 3.43Å; S405-Q407 PolarHBondContact O-N 2.95Å; S405-Q407 VanDerWaalsContact O-N 3.15Å; S405-Q407 PolarHBondContact OG-N 3.25Å; Q407-R410 PolarHBondContact O-NH1 2.9Å
408	G	70.7	Confident	82.6	Confident	6 Å²	6	65.3 Å²	65.3	6%	0.062	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-40.5	170.9	0	0	0	0	0	112.7	D403 S405 R410 Y429	D403-G408 WeakPolarHBondContact OD2-CA 3.29Å; S405-G408 PolarHBondContact O-N 3.06Å; S405-G408 PolarHBondContact OG-N 2.7Å; G408-R410 PolarHBondContact O-N 3.28Å; G408-R410 PolarHBondContact O-NH1 3.16Å; G408-Y429 VanDerWaalsContact O-CE1 3.22Å; G408-Y429 WeakPolarHBondContact O-CE1 3.34Å
409	K	85.3	Confident	82.5	Confident	47 Å²	47	67 Å²	67	20%	0.204	32%	0.32	C	S	.	.			trans	-47.7	133.3	179.1	-176.6	176.2	61.4	-176.7	0	113.6	S342 T398 Y399 S405	S342-K409 PolarHBondContact OG-NZ 3.35Å; T398-K409 WeakPolarHBondContact O-CA 3.32Å; Y399-K409 HydrophobicContact CD1-CB 3.99Å; Y399-K409 HydrophobicContact CD1-CG 4.38Å; Y399-K409 HydrophobicContact CE1-CB 3.68Å; Y399-K409 HydrophobicContact CE1-CD 4.01Å; Y399-K409 HydrophobicContact CE1-CG 3.86Å; Y399-K409 HydrophobicContact CE2-CG 4.42Å; Y399-K409 WeakPolarHBondContact OH-CD 3.14Å; S405-K409 PolarHBondContact O-N 3.44Å
410	R	90.4	Very high	82.6	Confident	74 Å²	74	69.8 Å²	69.8	28%	0.279	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	166.2	162	-56.8	-67.1	177.1	-96	2.3	110.1	K397 T398 Q407 G408 L427 R428 Y429	K397-R410 CarbonylContact C-O 3.57Å; K397-R410 WeakPolarHBondContact CA-O 3.49Å; T398-R410 PolarHBondContact N-O 2.87Å; T398-R410 PolarHBondContact O-N 3.13Å; Q407-R410 PolarHBondContact O-NH1 2.9Å; G408-R410 PolarHBondContact O-N 3.28Å; G408-R410 PolarHBondContact O-NH1 3.16Å; R410-L427 HydrophobicContact CB-CB 4.02Å; R410-L427 HydrophobicContact CB-CD1 3.99Å; R410-L427 HydrophobicContact CB-CD2 4.4Å; R410-L427 HydrophobicContact CB-CG 4.36Å; R410-L427 HydrophobicContact CG-CB 4.41Å; R410-R428 PolarHBondContact NE-O 2.92Å; R410-Y429 HydrophobicContact CB-CE2 4.32Å; R410-Y429 HydrophobicContact CG-CD2 4.36Å; R410-Y429 HydrophobicContact CG-CE1 3.91Å; R410-Y429 HydrophobicContact CG-CE2 3.72Å; R410-Y429 VanDerWaalsContact CG-CZ 3.45Å; R410-Y429 WeakPolarHBondContact CG-OH 3.47Å
411	K	92.3	Very high	82.7	Confident	132 Å²	132	69.3 Å²	69.3	57%	0.574	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.5	153.6	177	60.5	159.7	-168.9	164.8	0	112.2	V396 L427	V396-K411 CarbonylContact O-C 3.4Å; V396-K411 WeakPolarHBondContact O-CA 3.5Å; V396-K411 WeakPolarHBondContact O-CB 3.5Å; K411-L427 VanDerWaalsContact O-CD2 3.25Å; K411-L427 WeakPolarHBondContact O-CD2 3.25Å
412	T	93.3	Very high	83.2	Confident	4 Å²	4	73.2 Å²	73.2	3%	0.025	35%	0.354	C	S	.	.			trans	-80.8	175.8	168.5	64.6	0	0	0	0	112	V376 V396 Y423 E425 L427	V376-T412 HydrophobicContact CB-CG2 3.99Å; V376-T412 HydrophobicContact CG1-CG2 4Å; V376-T412 HydrophobicContact CG2-CG2 4.15Å; V396-T412 HydrophobicContact CB-CG2 3.99Å; V396-T412 HydrophobicContact CG2-CG2 4.45Å; V396-T412 PolarHBondContact N-OG1 2.91Å; V396-T412 PolarHBondContact O-N 2.94Å; T412-Y423 HydrophobicContact CG2-CD1 3.96Å; T412-Y423 HydrophobicContact CG2-CE1 4.49Å; T412-Y423 HydrophobicContact CG2-CG 4.09Å; T412-Y423 WeakPolarHBondContact OG1-CD1 3.19Å; T412-Y423 VanDerWaalsContact OG1-CE1 3.32Å; T412-Y423 WeakPolarHBondContact OG1-CE1 3.49Å; T412-E425 WeakPolarHBondContact CA-OE2 3.15Å; T412-E425 WeakPolarHBondContact CB-OE2 3.28Å; T412-E425 HydrophobicContact CG2-CB 4.25Å; T412-L427 HydrophobicContact CG2-CD1 4.43Å
413	S	91.3	Very high	84	Confident	53 Å²	53	68.5 Å²	68.5	37%	0.371	32%	0.323	S	S	.	.			trans	-64.7	169.7	158.8	79.7	0	0	0	0	111.7	Y395 K415 E425	Y395-S413 VanDerWaalsContact CB-O 3.3Å; Y395-S413 WeakPolarHBondContact CB-O 3.29Å; S413-K415 VanDerWaalsContact OG-CE 3.25Å; S413-K415 WeakPolarHBondContact OG-CE 3.44Å; S413-E425 VanDerWaalsContact CB-OE1 3.22Å; S413-E425 WeakPolarHBondContact CB-OE1 3.47Å; S413-E425 VanDerWaalsContact N-CD 3.32Å; S413-E425 PolarHBondContact N-OE1 2.88Å; S413-E425 VanDerWaalsContact N-OE1 3.11Å; S413-E425 PolarHBondContact N-OE2 2.95Å; S413-E425 PolarHBondContact OG-OE1 2.7Å
414	I	91.8	Very high	84.9	Confident	65 Å²	65	71 Å²	71	33%	0.333	34%	0.336	S	S	.	.			trans	-104	109.3	-178.4	-60.1	160.2	0	0	0	108.1	N393 Y395 H448	N393-I414 HydrophobicContact CB-CG2 4.25Å; Y395-I414 HydrophobicContact CD1-CG1 4Å; Y395-I414 HydrophobicContact CG-CG1 3.96Å; I414-H448 HydrophobicContact CD1-CB 4.03Å; I414-H448 HydrophobicContact CG1-CB 4.35Å; I414-H448 HydrophobicContact CG2-CB 3.76Å
415	K	90.9	Very high	85.9	Confident	56 Å²	56	68 Å²	68	24%	0.243	32%	0.324	C	S	.	.			trans	-79	149.9	171	-52.1	-68.8	162.7	137.6	0	107.9	N393 P394 S413 T418 P421 L422 Y423	N393-K415 CarbonylContact C-O 3.58Å; N393-K415 WeakPolarHBondContact CA-O 3.22Å; P394-K415 WeakPolarHBondContact CD-O 3.42Å; P394-K415 PolarHBondContact O-N 2.98Å; S413-K415 VanDerWaalsContact OG-CE 3.25Å; S413-K415 WeakPolarHBondContact OG-CE 3.44Å; K415-T418 HydrophobicContact CB-CG2 4Å; K415-P421 HydrophobicContact CB-CB 3.87Å; K415-P421 HydrophobicContact CG-CB 3.94Å; K415-L422 VanDerWaalsContact CD-O 3.29Å; K415-L422 WeakPolarHBondContact CD-O 3.32Å; K415-L422 WeakPolarHBondContact CE-O 3.4Å; K415-L422 PolarHBondContact NZ-O 2.8Å; K415-Y423 HydrophobicContact CD-CD1 4.47Å; K415-Y423 HydrophobicContact CG-CD1 3.81Å; K415-Y423 HydrophobicContact CG-CE1 3.65Å; K415-Y423 PolarHBondContact NZ-O 2.82Å
416	R	89.5	Confident	87.3	Confident	193 Å²	193	69.9 Å²	69.9	73%	0.728	33%	0.334	S	S	*	.			trans	-116.1	144.7	-170.9	-64.1	178.8	-179.2	174.3	1.3	110.8	N393 T418	N393-R416 WeakPolarHBondContact OD1-CA 3.4Å; R416-T418 VanDerWaalsContact C-N 3.31Å; R416-T418 PolarHBondContact O-N 3.45Å
417	D	86.3	Confident	88.8	Confident	85 Å²	85	62.5 Å²	62.5	46%	0.455	31%	0.307	S	S	.	.	S	Bend	trans	44.8	48	177.2	-87.9	-18.4	0	0	0	115.3	R391 S392 N393	R391-D417 WeakPolarHBondContact CB-OD1 3.26Å; R391-D417 WeakPolarHBondContact CG-OD1 3.28Å; R391-D417 IonicContact CZ-OD1 3.45Å; R391-D417 IonicContact CZ-OD2 3.48Å; R391-D417 IonicContact NE-OD1 2.68Å; R391-D417 PolarHBondContact NE-OD1 2.97Å; R391-D417 IonicContact NE-OD2 3.52Å; R391-D417 PolarHBondContact NE-OD2 2.76Å; R391-D417 IonicContact NH2-OD1 3.62Å; R391-D417 PolarHBondContact NH2-OD1 2.84Å; R391-D417 IonicContact NH2-OD2 2.73Å; R391-D417 PolarHBondContact NH2-OD2 3.15Å; S392-D417 CarbonylContact O-C 3.59Å; S392-D417 VanDerWaalsContact O-CA 3.23Å; S392-D417 WeakPolarHBondContact O-CA 3.17Å; S392-D417 PolarHBondContact O-N 2.97Å; N393-D417 PolarHBondContact OD1-N 2.84Å
418	T	89.5	Confident	90.4	Very high	38 Å²	38	63.4 Å²	63.4	23%	0.233	31%	0.307	C	S	.	.			trans	-143.9	144.6	177.4	-176.9	0	0	0	0	112.3	S392 P394 K415 R416 N420 P421	S392-T418 WeakPolarHBondContact CB-O 3.1Å; S392-T418 PolarHBondContact O-N 3.44Å; P394-T418 VanDerWaalsContact CD-O 3.23Å; P394-T418 WeakPolarHBondContact CD-O 3.36Å; P394-T418 HydrophobicContact CG-CG2 4.2Å; P394-T418 WeakPolarHBondContact CG-O 3.49Å; K415-T418 HydrophobicContact CB-CG2 4Å; R416-T418 VanDerWaalsContact C-N 3.31Å; R416-T418 PolarHBondContact O-N 3.45Å; T418-N420 PolarHBondContact OG1-N 2.91Å; T418-N420 PolarHBondContact OG1-O 2.9Å; T418-P421 HydrophobicContact CG2-CB 3.85Å
419	I	90.3	Very high	91.4	Very high	36 Å²	36	63.5 Å²	63.5	19%	0.185	31%	0.305	C	S	.	.	S	Bend	trans	-100.9	-6.9	165.5	57.9	165.8	0	0	0	112.4	Q381 L382 Y384 P421	Q381-I419 PolarHBondContact N-O 2.99Å; L382-I419 HydrophobicContact CB-CB 4.28Å; L382-I419 WeakPolarHBondContact CB-O 2.95Å; L382-I419 WeakPolarHBondContact CG-O 3.42Å; L382-I419 PolarHBondContact N-O 3.4Å; L382-I419 VanDerWaalsContact O-CB 3.29Å; L382-I419 WeakPolarHBondContact O-CB 3.32Å; L382-I419 WeakPolarHBondContact O-CG2 3.05Å; Y384-I419 HydrophobicContact CD1-CG2 3.57Å; Y384-I419 HydrophobicContact CE1-CD1 4.45Å; Y384-I419 HydrophobicContact CE1-CG2 3.4Å; Y384-I419 VanDerWaalsContact CE1-CG2 3.4Å; Y384-I419 HydrophobicContact CE2-CD1 4.43Å; Y384-I419 HydrophobicContact CG-CG2 4.27Å; I419-P421 WeakPolarHBondContact O-CD 3.38Å
420	N	91.2	Very high	91.6	Very high	81 Å²	81	69.1 Å²	69.1	43%	0.433	33%	0.332	S	S	.	.	S	Bend	trans	-120.1	71.1	173.1	-57.4	-44.8	0	0	0	109.2	C379 Q381 T418 L422	C379-N420 CarbonylContact O-C 3.58Å; C379-N420 WeakPolarHBondContact O-CA 3.12Å; Q381-N420 PolarHBondContact N-OD1 3.31Å; T418-N420 PolarHBondContact OG1-N 2.91Å; T418-N420 PolarHBondContact OG1-O 2.9Å; N420-L422 PolarHBondContact O-N 2.59Å
421	P	91.8	Very high	91.4	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.006	32%	0.323	C	S	.	.			trans	-78.2	111.7	-178.8	31	-37.5	0	0	0	112.4	E378 C379 L382 P394 K415 T418 I419 Y423	E378-P421 CarbonylContact C-O 3.49Å; E378-P421 WeakPolarHBondContact CA-O 3.38Å; E378-P421 VanDerWaalsContact CB-O 3.31Å; E378-P421 WeakPolarHBondContact CB-O 3.11Å; C379-P421 HydrophobicContact CB-CG 3.81Å; C379-P421 PolarHBondContact N-O 3.06Å; C379-P421 VanDerWaalsContact O-CD 3.3Å; C379-P421 WeakPolarHBondContact O-CD 3.45Å; L382-P421 HydrophobicContact CD1-CG 3.66Å; P394-P421 HydrophobicContact CB-CG 4.07Å; P394-P421 HydrophobicContact CG-CB 3.55Å; P394-P421 HydrophobicContact CG-CG 3.46Å; P394-P421 VanDerWaalsContact CG-CG 3.46Å; K415-P421 HydrophobicContact CB-CB 3.87Å; K415-P421 HydrophobicContact CG-CB 3.94Å; T418-P421 HydrophobicContact CG2-CB 3.85Å; I419-P421 WeakPolarHBondContact O-CD 3.38Å; P421-Y423 HydrophobicContact CB-CD2 4.47Å; P421-Y423 HydrophobicContact CB-CE1 4.26Å; P421-Y423 HydrophobicContact CB-CE2 3.75Å; P421-Y423 HydrophobicContact CG-CE2 3.6Å; P421-Y423 WeakPolarHBondContact CG-OH 3.33Å; P421-Y423 WeakPolarHBondContact O-CD2 3.29Å; P421-Y423 WeakPolarHBondContact O-CE2 3.34Å; P421-Y423 PolarHBondContact O-N 2.86Å
422	L	94.3	Very high	91.1	Very high	105 Å²	105	62.2 Å²	62.2	55%	0.55	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.1	162.6	-171.5	148.8	0	0	0	109.5	E378 K415 N420 D424	E378-L422 HydrophobicContact CB-CB 4.37Å; K415-L422 VanDerWaalsContact CD-O 3.29Å; K415-L422 WeakPolarHBondContact CD-O 3.32Å; K415-L422 WeakPolarHBondContact CE-O 3.4Å; K415-L422 PolarHBondContact NZ-O 2.8Å; N420-L422 PolarHBondContact O-N 2.59Å; L422-D424 HydrophobicContact CD2-CB 4.05Å
423	Y	93.5	Very high	90.7	Very high	6 Å²	6	66.4 Å²	66.4	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-61.8	177.4	-64.5	-75	0	0	0	111.3	V376 K377 P394 Y395 V396 T412 K415 P421	V376-Y423 HydrophobicContact CG1-CD2 3.83Å; V376-Y423 HydrophobicContact CG1-CG 4.24Å; V376-Y423 WeakPolarHBondContact O-CB 3.37Å; K377-Y423 WeakPolarHBondContact O-CA 3.45Å; K377-Y423 PolarHBondContact O-N 2.88Å; P394-Y423 WeakPolarHBondContact CB-OH 3.28Å; P394-Y423 PolarHBondContact O-OH 3.46Å; Y395-Y423 WeakPolarHBondContact CA-OH 3.5Å; Y395-Y423 PolarHBondContact N-OH 2.88Å; V396-Y423 HydrophobicContact CG2-CD2 4.24Å; V396-Y423 HydrophobicContact CG2-CE2 3.61Å; T412-Y423 HydrophobicContact CG2-CD1 3.96Å; T412-Y423 HydrophobicContact CG2-CE1 4.49Å; T412-Y423 HydrophobicContact CG2-CG 4.09Å; T412-Y423 WeakPolarHBondContact OG1-CD1 3.19Å; T412-Y423 VanDerWaalsContact OG1-CE1 3.32Å; T412-Y423 WeakPolarHBondContact OG1-CE1 3.49Å; K415-Y423 HydrophobicContact CD-CD1 4.47Å; K415-Y423 HydrophobicContact CG-CD1 3.81Å; K415-Y423 HydrophobicContact CG-CE1 3.65Å; K415-Y423 PolarHBondContact NZ-O 2.82Å; P421-Y423 HydrophobicContact CB-CD2 4.47Å; P421-Y423 HydrophobicContact CB-CE1 4.26Å; P421-Y423 HydrophobicContact CB-CE2 3.75Å; P421-Y423 HydrophobicContact CG-CE2 3.6Å; P421-Y423 WeakPolarHBondContact CG-OH 3.33Å; P421-Y423 WeakPolarHBondContact O-CD2 3.29Å; P421-Y423 WeakPolarHBondContact O-CE2 3.34Å; P421-Y423 PolarHBondContact O-N 2.86Å
424	D	92.7	Very high	90.3	Very high	105 Å²	105	68.2 Å²	68.2	56%	0.561	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.6	51.2	-168.2	-150.4	49.9	0	0	0	112.2	H375 V376 K377 L422	H375-D424 IonicContact NE2-OD1 3.88Å; H375-D424 PolarHBondContact NE2-OD1 3.15Å; V376-D424 PolarHBondContact O-N 2.91Å; K377-D424 PolarHBondContact O-N 2.81Å; L422-D424 HydrophobicContact CD2-CB 4.05Å
425	E	93.6	Very high	89.9	Confident	43 Å²	43	68.6 Å²	68.6	20%	0.201	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.6	-170.4	-73.7	-179.4	-121.5	0	0	112.8	V376 T412 S413	V376-E425 PolarHBondContact N-O 2.98Å; V376-E425 PolarHBondContact O-N 3.43Å; T412-E425 WeakPolarHBondContact CA-OE2 3.15Å; T412-E425 WeakPolarHBondContact CB-OE2 3.28Å; T412-E425 HydrophobicContact CG2-CB 4.25Å; S413-E425 VanDerWaalsContact CB-OE1 3.22Å; S413-E425 WeakPolarHBondContact CB-OE1 3.47Å; S413-E425 VanDerWaalsContact N-CD 3.32Å; S413-E425 PolarHBondContact N-OE1 2.88Å; S413-E425 VanDerWaalsContact N-OE1 3.11Å; S413-E425 PolarHBondContact N-OE2 2.95Å; S413-E425 PolarHBondContact OG-OE1 2.7Å
426	T	93.9	Very high	89.6	Confident	80 Å²	80	66.4 Å²	66.4	49%	0.491	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.8	179.2	-68.5	0	0	0	0	112	V373 H375 R428	V373-T426 HydrophobicContact CG1-CG2 3.38Å; H375-T426 PolarHBondContact CD2-OG1 2.78Å; H375-T426 VanDerWaalsContact CD2-OG1 3.31Å; T426-R428 HydrophobicContact CG2-CG 4.37Å
427	L	93.9	Very high	89.2	Confident	16 Å²	16	60.8 Å²	60.8	8%	0.084	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.2	176.7	-52.2	178.9	0	0	0	109.4	V374 V376 T398 R410 K411 T412	V374-L427 HydrophobicContact CB-CB 4.38Å; V374-L427 PolarHBondContact N-O 2.91Å; V374-L427 PolarHBondContact O-N 2.82Å; V376-L427 HydrophobicContact CG2-CD1 3.99Å; V376-L427 HydrophobicContact CG2-CG 4.49Å; T398-L427 HydrophobicContact CG2-CD1 4.33Å; R410-L427 HydrophobicContact CB-CB 4.02Å; R410-L427 HydrophobicContact CB-CD1 3.99Å; R410-L427 HydrophobicContact CB-CD2 4.4Å; R410-L427 HydrophobicContact CB-CG 4.36Å; R410-L427 HydrophobicContact CG-CB 4.41Å; K411-L427 VanDerWaalsContact O-CD2 3.25Å; K411-L427 WeakPolarHBondContact O-CD2 3.25Å; T412-L427 HydrophobicContact CG2-CD1 4.43Å
428	R	92.9	Very high	88.9	Confident	105 Å²	105	63.8 Å²	63.8	40%	0.396	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.7	-177.2	-70.2	-179.1	173.5	-103.1	7.3	113.1	E366 S371 L372 V373 R410 T426	E366-R428 IonicContact OE2-CZ 2.71Å; E366-R428 VanDerWaalsContact OE2-CZ 3.28Å; E366-R428 IonicContact OE2-NH1 2.67Å; E366-R428 PolarHBondContact OE2-NH1 3.18Å; E366-R428 IonicContact OE2-NH2 3.24Å; E366-R428 PolarHBondContact OE2-NH2 2.92Å; S371-R428 PolarHBondContact OG-NH1 2.75Å; S371-R428 VanDerWaalsContact OG-NH1 3.08Å; L372-R428 WeakPolarHBondContact O-CA 3.48Å; V373-R428 HydrophobicContact CG2-CG 4.43Å; R410-R428 PolarHBondContact NE-O 2.92Å; T426-R428 HydrophobicContact CG2-CG 4.37Å
429	Y	90.5	Very high	88.7	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.3	171.2	-68	-97.1	0	0	0	109	S371 L372 V374 T398 Y399 L400 G408 R410 I431 L441	S371-Y429 CarbonylContact C-O 3.53Å; S371-Y429 WeakPolarHBondContact CA-O 3.32Å; S371-Y429 WeakPolarHBondContact CB-O 3.17Å; L372-Y429 PolarHBondContact N-O 3.18Å; L372-Y429 PolarHBondContact O-N 2.81Å; V374-Y429 HydrophobicContact CG2-CD2 3.98Å; V374-Y429 HydrophobicContact CG2-CE2 3.98Å; T398-Y429 VanDerWaalsContact CB-OH 3.29Å; T398-Y429 WeakPolarHBondContact CB-OH 3.3Å; T398-Y429 PolarHBondContact O-OH 2.87Å; T398-Y429 PolarHBondContact OG1-OH 2.9Å; Y399-Y429 PolarHBondContact N-OH 3.13Å; L400-Y429 HydrophobicContact CB-CD1 3.9Å; L400-Y429 HydrophobicContact CB-CE1 3.83Å; L400-Y429 HydrophobicContact CD2-CD1 4.2Å; L400-Y429 HydrophobicContact CD2-CG 4.39Å; G408-Y429 VanDerWaalsContact O-CE1 3.22Å; G408-Y429 WeakPolarHBondContact O-CE1 3.34Å; R410-Y429 HydrophobicContact CB-CE2 4.32Å; R410-Y429 HydrophobicContact CG-CD2 4.36Å; R410-Y429 HydrophobicContact CG-CE1 3.91Å; R410-Y429 HydrophobicContact CG-CE2 3.72Å; R410-Y429 VanDerWaalsContact CG-CZ 3.45Å; R410-Y429 WeakPolarHBondContact CG-OH 3.47Å; Y429-I431 PolarHBondContact O-N 3.46Å; Y429-L441 HydrophobicContact CE2-CD1 4.32Å
430	E	89.9	Confident	88.6	Confident	164 Å²	164	65 Å²	65	77%	0.766	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	112.8	169.1	-69.9	131.7	-133.5	0	0	108.5
431	I	85.5	Confident	88.6	Confident	16 Å²	16	61.1 Å²	61.1	8%	0.082	31%	0.314	C	S	.	.			trans	-160.5	129.4	-179.8	-174.9	170.6	0	0	0	110.4	Y365 Q370 L372 L400 Y429 L435 L436 R439	Y365-I431 WeakPolarHBondContact CE2-O 3.23Å; Q370-I431 CarbonylContact O-C 3.51Å; Q370-I431 PolarHBondContact O-N 2.77Å; Q370-I431 VanDerWaalsContact O-O 3.05Å; L372-I431 HydrophobicContact CB-CG2 4.35Å; L400-I431 HydrophobicContact CD2-CB 4.44Å; L400-I431 HydrophobicContact CD2-CD1 3.66Å; L400-I431 HydrophobicContact CD2-CG2 3.97Å; Y429-I431 PolarHBondContact O-N 3.46Å; I431-L435 HydrophobicContact CD1-CB 4.11Å; I431-L435 HydrophobicContact CG1-CB 4.01Å; I431-L436 HydrophobicContact CG2-CD1 4.3Å; I431-R439 HydrophobicContact CD1-CG 3.95Å
432	P	86.8	Confident	88.6	Confident	46 Å²	46	61.9 Å²	61.9	30%	0.299	32%	0.318	S	S	.	.			trans	-61	140	172.4	-23.6	33.2	0	0	0	113	S434 L435 L436	P432-S434 VanDerWaalsContact C-N 3.26Å; P432-S434 PolarHBondContact O-N 3.3Å; P432-L435 HydrophobicContact CG-CD1 4.45Å; P432-L435 WeakPolarHBondContact O-CA 3.4Å; P432-L435 PolarHBondContact O-N 3.5Å; P432-L436 PolarHBondContact O-N 2.92Å; P432-L436 VanDerWaalsContact O-N 3.1Å
433	E	84.8	Confident	88.6	Confident	92 Å²	92	56.9 Å²	56.9	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-49.8	-41.7	-179.2	-156.4	163.2	-173	0	0	113.4	Y365 Q367 L435 L436	Y365-E433 HydrophobicContact CD1-CB 4.42Å; Y365-E433 HydrophobicContact CD1-CG 4.06Å; Y365-E433 HydrophobicContact CE1-CB 3.64Å; Y365-E433 VanDerWaalsContact CE1-CD 3.48Å; Y365-E433 HydrophobicContact CE1-CG 3.75Å; Y365-E433 VanDerWaalsContact CE1-OE2 3.25Å; Y365-E433 WeakPolarHBondContact CE1-OE2 3.03Å; Y365-E433 PolarHBondContact OH-N 3.49Å; Q367-E433 PolarHBondContact NE2-OE2 3.01Å; E433-L435 VanDerWaalsContact C-N 3.25Å; E433-L435 PolarHBondContact O-N 2.92Å; E433-L436 WeakPolarHBondContact O-CB 3.47Å; E433-L436 PolarHBondContact O-N 3.13Å; E433-L436 VanDerWaalsContact O-N 3.07Å
434	S	83.2	Confident	88.5	Confident	91 Å²	91	56.8 Å²	56.8	64%	0.636	29%	0.291	S	S	*	.	H	α-helix	trans	-64.7	-24.3	177.4	54.9	0	0	0	0	114.5	P432	P432-S434 VanDerWaalsContact C-N 3.26Å; P432-S434 PolarHBondContact O-N 3.3Å
435	L	83.8	Confident	88.5	Confident	73 Å²	73	51.8 Å²	51.8	38%	0.382	27%	0.265	S	S	.	.	H	α-helix	trans	-93.6	-17.5	173.7	-63.2	-177.3	0	0	0	112.5	I431 P432 E433 R439	I431-L435 HydrophobicContact CD1-CB 4.11Å; I431-L435 HydrophobicContact CG1-CB 4.01Å; P432-L435 HydrophobicContact CG-CD1 4.45Å; P432-L435 WeakPolarHBondContact O-CA 3.4Å; P432-L435 PolarHBondContact O-N 3.5Å; E433-L435 VanDerWaalsContact C-N 3.25Å; E433-L435 PolarHBondContact O-N 2.92Å; L435-R439 VanDerWaalsContact O-CG 3.28Å; L435-R439 WeakPolarHBondContact O-CG 3.46Å
436	L	84.1	Confident	88.4	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-44.7	-179.2	178	59.6	0	0	0	111.2	Y365 L372 L400 I431 P432 E433 Q438 R439 M464 L469	Y365-L436 HydrophobicContact CD2-CD2 4.31Å; L372-L436 HydrophobicContact CD1-CD2 4.3Å; L372-L436 HydrophobicContact CD2-CD1 3.97Å; L400-L436 HydrophobicContact CD1-CD1 4.32Å; L400-L436 HydrophobicContact CD2-CD1 4.46Å; I431-L436 HydrophobicContact CG2-CD1 4.3Å; P432-L436 PolarHBondContact O-N 2.92Å; P432-L436 VanDerWaalsContact O-N 3.1Å; E433-L436 WeakPolarHBondContact O-CB 3.47Å; E433-L436 PolarHBondContact O-N 3.13Å; E433-L436 VanDerWaalsContact O-N 3.07Å; L436-Q438 PolarHBondContact O-N 3.49Å; L436-R439 WeakPolarHBondContact O-CB 3.21Å; L436-R439 PolarHBondContact O-N 3.32Å; L436-M464 HydrophobicContact CD1-CB 4.11Å; L436-M464 HydrophobicContact CD1-CG 3.81Å; L436-M464 HydrophobicContact CD1-SD 3.98Å; L436-M464 HydrophobicContact CG-CB 4.17Å; L436-M464 HydrophobicContact CG-CG 4.41Å; L436-M464 WeakPolarHBondContact O-CB 3.47Å; L436-L469 HydrophobicContact CD2-CD2 4.21Å
437	T	80.1	Confident	88	Confident	75 Å²	75	47.1 Å²	47.1	46%	0.46	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-35.2	177.4	-46.4	0	0	0	0	113	R439 D465	T437-R439 VanDerWaalsContact C-N 3.28Å; T437-R439 PolarHBondContact O-N 3Å; T437-D465 HydrophobicContact CG2-CB 3.87Å; T437-D465 PolarHBondContact O-N 3.29Å
438	Q	81.4	Confident	87.6	Confident	148 Å²	148	49.7 Å²	49.7	69%	0.692	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	24.7	-177.5	-60.1	-178.6	-11.4	0	0	113.8	L436	L436-Q438 PolarHBondContact O-N 3.49Å
439	R	84.6	Confident	86.7	Confident	66 Å²	66	45.2 Å²	45.2	25%	0.249	24%	0.235	C	C	.	.			trans	-126.6	156.8	-175.1	-56	-66.8	165.3	155.5	-11.7	112.5	L400 L401 I431 L435 L436 T437 M464	L400-R439 HydrophobicContact CD1-CB 3.63Å; L400-R439 HydrophobicContact CD1-CG 4.28Å; L400-R439 HydrophobicContact CD2-CG 4.41Å; L400-R439 HydrophobicContact CG-CB 3.87Å; L400-R439 HydrophobicContact CG-CG 4.03Å; L401-R439 WeakPolarHBondContact O-CA 3.1Å; L401-R439 WeakPolarHBondContact O-CD 3.28Å; I431-R439 HydrophobicContact CD1-CG 3.95Å; L435-R439 VanDerWaalsContact O-CG 3.28Å; L435-R439 WeakPolarHBondContact O-CG 3.46Å; L436-R439 WeakPolarHBondContact O-CB 3.21Å; L436-R439 PolarHBondContact O-N 3.32Å; T437-R439 VanDerWaalsContact C-N 3.28Å; T437-R439 PolarHBondContact O-N 3Å; R439-M464 HydrophobicContact CB-CG 4.25Å; R439-M464 WeakPolarHBondContact O-CB 2.95Å; R439-M464 VanDerWaalsContact O-CG 3.24Å; R439-M464 WeakPolarHBondContact O-CG 3.41Å; R439-M464 PolarHBondContact O-N 3.49Å
440	T	88.3	Confident	85.1	Confident	33 Å²	33	51.9 Å²	51.9	20%	0.202	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.2	169.4	-49.9	0	0	0	0	109.1	L401 Q442 E461 I462	L401-T440 WeakPolarHBondContact CB-O 3.34Å; L401-T440 PolarHBondContact N-O 3.37Å; L401-T440 PolarHBondContact O-N 3.47Å; T440-Q442 PolarHBondContact O-N 3Å; T440-E461 HydrophobicContact CG2-CB 3.9Å; T440-I462 CarbonylContact C-O 3.57Å; T440-I462 VanDerWaalsContact CA-O 3.23Å; T440-I462 WeakPolarHBondContact CA-O 3.28Å; T440-I462 WeakPolarHBondContact CG2-O 3.42Å
441	L	91.1	Very high	83	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	108.7	172	-179.5	63.9	0	0	0	108.7	L363 V374 L400 Y429 F443 I462 M464	L363-L441 HydrophobicContact CD1-CD2 4.01Å; L363-L441 HydrophobicContact CD2-CD2 3.63Å; V374-L441 HydrophobicContact CG1-CD2 4.15Å; V374-L441 HydrophobicContact CG2-CD1 4.22Å; V374-L441 HydrophobicContact CG2-CD2 3.86Å; L400-L441 HydrophobicContact CD1-CB 4.32Å; L400-L441 HydrophobicContact CD1-CD1 4.44Å; Y429-L441 HydrophobicContact CE2-CD1 4.32Å; L441-F443 HydrophobicContact CD2-CE2 3.58Å; L441-F443 HydrophobicContact CD2-CZ 3.63Å; L441-F443 HydrophobicContact CG-CD2 4.32Å; L441-F443 HydrophobicContact CG-CE2 3.68Å; L441-F443 HydrophobicContact CG-CZ 4.11Å; L441-I462 PolarHBondContact N-O 3.4Å; L441-I462 PolarHBondContact O-N 3.42Å; L441-M464 HydrophobicContact CB-CE 3.74Å; L441-M464 HydrophobicContact CB-SD 3.93Å; L441-M464 HydrophobicContact CD2-CE 4.44Å
442	Q	92.2	Very high	81.5	Confident	17 Å²	17	54.3 Å²	54.3	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129	174.9	179.1	-172.2	93.8	0	0	109.7	T398 Y399 L401 T440 E461	T398-Q442 CarbonylContact C-O 3.5Å; T398-Q442 WeakPolarHBondContact CA-O 3.43Å; Y399-Q442 PolarHBondContact N-O 3.28Å; Y399-Q442 PolarHBondContact O-N 2.95Å; L401-Q442 HydrophobicContact CD1-CB 3.99Å; L401-Q442 HydrophobicContact CG-CB 4.13Å; T440-Q442 PolarHBondContact O-N 3Å; Q442-E461 HydrophobicContact CB-CG 4.15Å; Q442-E461 HydrophobicContact CG-CG 4.03Å; Q442-E461 PolarHBondContact NE2-OE1 2.93Å
443	F	93.8	Very high	80.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.1	164.7	-60.8	-104.1	0	0	0	108.6	I359 F361 V374 V376 V396 K397 T398 L441 E459 A460 I462	I359-F443 HydrophobicContact CD1-CB 4.01Å; I359-F443 HydrophobicContact CD1-CD1 3.53Å; I359-F443 HydrophobicContact CD1-CE1 4.29Å; I359-F443 HydrophobicContact CD1-CG 4.02Å; F361-F443 HydrophobicContact CB-CE1 4.26Å; F361-F443 HydrophobicContact CB-CZ 4.34Å; F361-F443 HydrophobicContact CD1-CE1 4.45Å; F361-F443 HydrophobicContact CD1-CZ 4.17Å; F361-F443 HydrophobicContact CD2-CE2 4.47Å; F361-F443 AromaticContact CD2-CZ 3.83Å; F361-F443 HydrophobicContact CD2-CZ 3.83Å; F361-F443 HydrophobicContact CE2-CE2 4.46Å; F361-F443 HydrophobicContact CE2-CZ 4.25Å; F361-F443 HydrophobicContact CG-CE1 4.15Å; F361-F443 AromaticContact CG-CZ 3.82Å; F361-F443 HydrophobicContact CG-CZ 3.82Å; V374-F443 HydrophobicContact CG1-CE1 3.75Å; V374-F443 HydrophobicContact CG1-CZ 3.78Å; V376-F443 HydrophobicContact CG2-CE1 4.24Å; V396-F443 HydrophobicContact CG1-CB 4.33Å; V396-F443 HydrophobicContact CG1-CD1 4.11Å; K397-F443 WeakPolarHBondContact O-CA 3.5Å; T398-F443 HydrophobicContact CG2-CB 4.39Å; T398-F443 HydrophobicContact CG2-CD1 3.31Å; T398-F443 HydrophobicContact CG2-CE1 3.67Å; T398-F443 HydrophobicContact CG2-CG 3.88Å; T398-F443 HydrophobicContact CG2-CZ 4.47Å; L441-F443 HydrophobicContact CD2-CE2 3.58Å; L441-F443 HydrophobicContact CD2-CZ 3.63Å; L441-F443 HydrophobicContact CG-CD2 4.32Å; L441-F443 HydrophobicContact CG-CE2 3.68Å; L441-F443 HydrophobicContact CG-CZ 4.11Å; F443-E459 CarbonylContact O-C 3.53Å; F443-E459 WeakPolarHBondContact O-CA 3.37Å; F443-E459 WeakPolarHBondContact O-CB 3.43Å; F443-A460 PolarHBondContact N-O 3.46Å; F443-A460 PolarHBondContact O-N 2.87Å; F443-I462 HydrophobicContact CD2-CD1 4.4Å; F443-I462 HydrophobicContact CE2-CD1 3.64Å; F443-I462 HydrophobicContact CE2-CG1 4.27Å; F443-I462 HydrophobicContact CZ-CD1 4.5Å
444	S	91.6	Very high	79.9	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.6	168.3	58.8	0	0	0	0	111.1	K397 W446	K397-S444 PolarHBondContact N-O 3.13Å; K397-S444 PolarHBondContact O-N 3.43Å; S444-W446 VanDerWaalsContact CB-NE1 3.34Å; S444-W446 VanDerWaalsContact O-CD1 3.22Å; S444-W446 PolarHBondContact OG-NE1 3.3Å
445	V	93	Very high	79.8	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.5	-174.3	-168.3	0	0	0	0	109.6	L382 P394 V396 L457 G458 L479	L382-V445 HydrophobicContact CD1-CG1 3.85Å; L382-V445 HydrophobicContact CD2-CG1 4.1Å; P394-V445 HydrophobicContact CB-CG1 4.32Å; V396-V445 HydrophobicContact CG2-CG2 4.29Å; V445-L457 HydrophobicContact CB-CB 4.21Å; V445-L457 HydrophobicContact CG1-CB 4.12Å; V445-L457 HydrophobicContact CG1-CD1 4.32Å; V445-L457 PolarHBondContact O-N 3.4Å; V445-G458 PolarHBondContact N-O 2.91Å; V445-L479 HydrophobicContact CB-CD1 4.44Å; V445-L479 HydrophobicContact CG2-CD1 3.8Å; V445-L479 HydrophobicContact CG2-CD2 3.74Å; V445-L479 HydrophobicContact CG2-CG 4.46Å
446	W	90.9	Very high	79.8	Confident	8 Å²	8	51.3 Å²	51.3	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.8	-170.8	-63.9	83	0	0	0	111.3	F350 P394 Y395 K397 S444 N454 T455 F456	F350-W446 HydrophobicContact CE1-CH2 4.35Å; P394-W446 CarbonylContact C-O 3.54Å; P394-W446 VanDerWaalsContact CA-O 3.3Å; P394-W446 WeakPolarHBondContact CA-O 3.48Å; Y395-W446 HydrophobicContact CD1-CB 4.02Å; Y395-W446 WeakPolarHBondContact CD1-O 3.49Å; Y395-W446 HydrophobicContact CE1-CB 3.49Å; Y395-W446 VanDerWaalsContact CE1-CB 3.49Å; Y395-W446 HydrophobicContact CE2-CB 4.28Å; Y395-W446 PolarHBondContact N-O 3.4Å; Y395-W446 PolarHBondContact O-N 3.41Å; K397-W446 HydrophobicContact CD-CG 4.38Å; K397-W446 VanDerWaalsContact NZ-NE1 3.11Å; S444-W446 VanDerWaalsContact CB-NE1 3.34Å; S444-W446 VanDerWaalsContact O-CD1 3.22Å; S444-W446 PolarHBondContact OG-NE1 3.3Å; W446-N454 HydrophobicContact CE3-CB 4.37Å; W446-T455 CarbonylContact C-O 3.59Å; W446-T455 WeakPolarHBondContact CA-O 3.43Å; W446-F456 HydrophobicContact CD2-CD2 4.36Å; W446-F456 AromaticContact CE2-CD2 3.84Å; W446-F456 HydrophobicContact CE3-CB 4.17Å; W446-F456 HydrophobicContact CH2-CB 4.03Å; W446-F456 AromaticContact CH2-CD2 3.8Å; W446-F456 HydrophobicContact CH2-CD2 3.8Å; W446-F456 HydrophobicContact CH2-CG 4.36Å; W446-F456 AromaticContact CZ2-CD2 3.57Å; W446-F456 HydrophobicContact CZ2-CD2 3.57Å; W446-F456 HydrophobicContact CZ2-CE2 4.26Å; W446-F456 HydrophobicContact CZ3-CB 3.81Å; W446-F456 HydrophobicContact CZ3-CD2 4.3Å
447	H	86.7	Confident	79.8	Confident	17 Å²	17	50.8 Å²	50.8	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.8	164	173.6	111.9	0	0	0	109.8	A385 S392 N393 G449 N454 T455 L457	A385-H447 HydrophobicContact CB-CB 3.45Å; A385-H447 VanDerWaalsContact CB-CB 3.45Å; A385-H447 WeakPolarHBondContact CB-ND1 3.11Å; S392-H447 WeakPolarHBondContact CA-ND1 3.47Å; N393-H447 PolarHBondContact N-ND1 3.41Å; N393-H447 PolarHBondContact ND2-CE1 3.48Å; H447-G449 PolarHBondContact CD2-N 3.21Å; H447-N454 CarbonylContact O-C 3.16Å; H447-N454 WeakPolarHBondContact O-CA 3.43Å; H447-N454 WeakPolarHBondContact O-CB 3.42Å; H447-T455 PolarHBondContact N-O 3.5Å; H447-T455 PolarHBondContact O-N 3.22Å; H447-L457 HydrophobicContact CB-CD1 4.03Å; H447-L457 HydrophobicContact CB-CD2 4.4Å; H447-L457 HydrophobicContact CB-CG 4.19Å
448	H	84.1	Confident	80	Confident	70 Å²	70	47.2 Å²	47.2	32%	0.324	22%	0.224	S	C	.	.			trans	-88.7	105.9	167.6	-176.7	46	0	0	0	112.2	N393 Y395 I414 N454	N393-H448 HydrophobicContact CB-CB 4.44Å; N393-H448 WeakPolarHBondContact CB-O 3.3Å; N393-H448 PolarHBondContact ND2-O 2.86Å; N393-H448 PolarHBondContact O-N 2.83Å; Y395-H448 HydrophobicContact CD1-CB 4.05Å; Y395-H448 HydrophobicContact CE1-CB 4.02Å; I414-H448 HydrophobicContact CD1-CB 4.03Å; I414-H448 HydrophobicContact CG1-CB 4.35Å; I414-H448 HydrophobicContact CG2-CB 3.76Å; H448-N454 WeakPolarHBondContact CA-OD1 3.49Å; H448-N454 PolarHBondContact ND1-OD1 3.16Å
449	G	73.8	Confident	80.4	Confident	12 Å²	12	41 Å²	41	12%	0.124	19%	0.194	C	C	.	.			trans	-82.3	116.9	178	0	0	0	0	0	111.1	H447 F451 G452	H447-G449 PolarHBondContact CD2-N 3.21Å; G449-F451 PolarHBondContact O-N 3.43Å; G449-G452 PolarHBondContact O-N 3.03Å
450	R	56.8	Low	80.6	Confident	149 Å²	149	37.9 Å²	37.9	56%	0.562	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.5	-178.8	-56.8	-170.8	-160.4	-176.5	6.8	113.9
451	F	46.8	Very low	80.7	Confident	183 Å²	183	40.3 Å²	40.3	80%	0.803	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.5	24.1	-175.7	-54.4	-69.1	0	0	0	112.6	G449	G449-F451 PolarHBondContact O-N 3.43Å
452	G	54.3	Low	80.5	Confident	48 Å²	48	40.6 Å²	40.6	50%	0.495	19%	0.194	S	C	.	.	S	Bend	trans	-145.8	-177.9	-172.8	0	0	0	0	0	113.3	G449	G449-G452 PolarHBondContact O-N 3.03Å
453	R	61.9	Low	80.1	Confident	157 Å²	157	45.4 Å²	45.4	59%	0.592	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-63.6	150	168.7	-64.4	-176.6	-178.2	167.9	2.7	109.1	M341 D349 T455	M341-R453 HydrophobicContact CE-CB 4.31Å; M341-R453 HydrophobicContact CE-CG 4.06Å; D349-R453 IonicContact OD2-NH1 2.62Å; D349-R453 PolarHBondContact OD2-NH1 3.39Å; R453-T455 PolarHBondContact O-N 2.88Å
454	N	75.1	Confident	79.6	Confident	30 Å²	30	46.1 Å²	46.1	16%	0.16	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-70.2	125.7	166.3	-64.8	-37.6	0	0	0	108.1	Y395 W446 H447 H448	Y395-N454 PolarHBondContact OH-ND2 3.45Å; W446-N454 HydrophobicContact CE3-CB 4.37Å; H447-N454 CarbonylContact O-C 3.16Å; H447-N454 WeakPolarHBondContact O-CA 3.43Å; H447-N454 WeakPolarHBondContact O-CB 3.42Å; H448-N454 WeakPolarHBondContact CA-OD1 3.49Å; H448-N454 PolarHBondContact ND1-OD1 3.16Å
455	T	81.2	Confident	78.9	Confident	34 Å²	34	50.5 Å²	50.5	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.2	-173.5	-55.4	0	0	0	0	109.7	I353 A385 W446 H447 R453	I353-T455 HydrophobicContact CD1-CG2 3.23Å; A385-T455 HydrophobicContact CB-CG2 4.09Å; W446-T455 CarbonylContact C-O 3.59Å; W446-T455 WeakPolarHBondContact CA-O 3.43Å; H447-T455 PolarHBondContact N-O 3.5Å; H447-T455 PolarHBondContact O-N 3.22Å; R453-T455 PolarHBondContact O-N 2.88Å
456	F	85.1	Confident	77.3	Confident	17 Å²	17	54.6 Å²	54.6	8%	0.075	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.8	177.7	-179	-106.7	0	0	0	110.4	F350 V355 W446 G458 E459 K482	F350-F456 HydrophobicContact CD1-CB 4.12Å; V355-F456 HydrophobicContact CG2-CD1 4.26Å; V355-F456 HydrophobicContact CG2-CE1 4.04Å; W446-F456 HydrophobicContact CD2-CD2 4.36Å; W446-F456 AromaticContact CE2-CD2 3.84Å; W446-F456 HydrophobicContact CE3-CB 4.17Å; W446-F456 HydrophobicContact CH2-CB 4.03Å; W446-F456 AromaticContact CH2-CD2 3.8Å; W446-F456 HydrophobicContact CH2-CD2 3.8Å; W446-F456 HydrophobicContact CH2-CG 4.36Å; W446-F456 AromaticContact CZ2-CD2 3.57Å; W446-F456 HydrophobicContact CZ2-CD2 3.57Å; W446-F456 HydrophobicContact CZ2-CE2 4.26Å; W446-F456 HydrophobicContact CZ3-CB 3.81Å; W446-F456 HydrophobicContact CZ3-CD2 4.3Å; F456-G458 VanDerWaalsContact CE1-CA 3.49Å; F456-G458 WeakPolarHBondContact CE2-O 3.37Å; F456-G458 VanDerWaalsContact CZ-CA 3.42Å; F456-E459 HydrophobicContact CE2-CB 4.01Å; F456-E459 HydrophobicContact CE2-CG 4.32Å; F456-E459 HydrophobicContact CZ-CB 3.86Å; F456-E459 HydrophobicContact CZ-CG 3.8Å; F456-K482 HydrophobicContact CE1-CB 4Å; F456-K482 HydrophobicContact CE1-CG 4.16Å; F456-K482 HydrophobicContact CE2-CD 4.34Å; F456-K482 HydrophobicContact CE2-CG 4.1Å; F456-K482 HydrophobicContact CZ-CB 4.06Å; F456-K482 HydrophobicContact CZ-CD 4.41Å; F456-K482 HydrophobicContact CZ-CG 3.73Å
457	L	83.8	Confident	76.1	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-0.7	179.3	-65.4	-179.4	0	0	0	113.4	V355 L382 A383 A385 P394 V445 H447	V355-L457 WeakPolarHBondContact CG1-O 3.42Å; L382-L457 HydrophobicContact CD1-CD1 4.34Å; A383-L457 HydrophobicContact CB-CD2 4.27Å; A383-L457 WeakPolarHBondContact O-CD2 3.37Å; A385-L457 HydrophobicContact CB-CD2 3.9Å; P394-L457 HydrophobicContact CB-CD1 4.04Å; V445-L457 HydrophobicContact CB-CB 4.21Å; V445-L457 HydrophobicContact CG1-CB 4.12Å; V445-L457 HydrophobicContact CG1-CD1 4.32Å; V445-L457 PolarHBondContact O-N 3.4Å; H447-L457 HydrophobicContact CB-CD1 4.03Å; H447-L457 HydrophobicContact CB-CD2 4.4Å; H447-L457 HydrophobicContact CB-CG 4.19Å
458	G	83.5	Confident	74.9	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.2	162.1	-179.7	0	0	0	0	0	113.6	V445 F456 H480	V445-G458 PolarHBondContact N-O 2.91Å; F456-G458 VanDerWaalsContact CE1-CA 3.49Å; F456-G458 WeakPolarHBondContact CE2-O 3.37Å; F456-G458 VanDerWaalsContact CZ-CA 3.42Å; G458-H480 WeakPolarHBondContact CA-O 3.39Å
459	E	91	Very high	74	Confident	16 Å²	16	64 Å²	64	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	164.7	173	65.5	-163.4	-170	0	0	111.9	F443 F456 L479 H480 K482	F443-E459 CarbonylContact O-C 3.53Å; F443-E459 WeakPolarHBondContact O-CA 3.37Å; F443-E459 WeakPolarHBondContact O-CB 3.43Å; F456-E459 HydrophobicContact CE2-CB 4.01Å; F456-E459 HydrophobicContact CE2-CG 4.32Å; F456-E459 HydrophobicContact CZ-CB 3.86Å; F456-E459 HydrophobicContact CZ-CG 3.8Å; E459-L479 WeakPolarHBondContact O-CA 3.2Å; E459-H480 PolarHBondContact N-O 2.96Å; E459-H480 PolarHBondContact O-CD2 3.23Å; E459-H480 PolarHBondContact O-CE1 2.53Å; E459-H480 PolarHBondContact O-N 3.19Å; E459-H480 PolarHBondContact O-ND1 2.97Å; E459-K482 VanDerWaalsContact CD-CG 3.41Å; E459-K482 WeakPolarHBondContact OE1-CG 3.43Å; E459-K482 WeakPolarHBondContact OE2-CE 3.13Å; E459-K482 VanDerWaalsContact OE2-CG 3.28Å; E459-K482 WeakPolarHBondContact OE2-CG 3.42Å
460	A	88.4	Confident	73.1	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.008	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.2	174.7	0	0	0	0	0	108.9	I359 F443 L477 L479	I359-A460 HydrophobicContact CG2-CB 4.05Å; F443-A460 PolarHBondContact N-O 3.46Å; F443-A460 PolarHBondContact O-N 2.87Å; A460-L477 HydrophobicContact CB-CB 4.3Å; A460-L479 HydrophobicContact CB-CD2 4.2Å
461	E	90.4	Very high	72.9	Confident	85 Å²	85	68.9 Å²	68.9	40%	0.397	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.4	179.8	-64.1	-155.9	161.4	0	0	112.2	L401 T440 Q442	L401-E461 WeakPolarHBondContact CD1-OE1 3.4Å; T440-E461 HydrophobicContact CG2-CB 3.9Å; Q442-E461 HydrophobicContact CB-CG 4.15Å; Q442-E461 HydrophobicContact CG-CG 4.03Å; Q442-E461 PolarHBondContact NE2-OE1 2.93Å
462	I	86.1	Confident	73	Confident	6 Å²	6	69.7 Å²	69.7	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	121.7	-178.2	-46.1	-177.7	0	0	0	109.3	F361 L363 T440 L441 F443 M464 W467 L477	F361-I462 HydrophobicContact CE1-CD1 4.15Å; F361-I462 HydrophobicContact CE2-CD1 3.45Å; F361-I462 VanDerWaalsContact CE2-CD1 3.45Å; F361-I462 HydrophobicContact CZ-CD1 3.23Å; L363-I462 HydrophobicContact CD1-CD1 4.44Å; T440-I462 CarbonylContact C-O 3.57Å; T440-I462 VanDerWaalsContact CA-O 3.23Å; T440-I462 WeakPolarHBondContact CA-O 3.28Å; T440-I462 WeakPolarHBondContact CG2-O 3.42Å; L441-I462 PolarHBondContact N-O 3.4Å; L441-I462 PolarHBondContact O-N 3.42Å; F443-I462 HydrophobicContact CD2-CD1 4.4Å; F443-I462 HydrophobicContact CE2-CD1 3.64Å; F443-I462 HydrophobicContact CE2-CG1 4.27Å; F443-I462 HydrophobicContact CZ-CD1 4.5Å; I462-M464 HydrophobicContact CB-CE 3.74Å; I462-M464 HydrophobicContact CG2-CE 3.46Å; I462-M464 VanDerWaalsContact CG2-CE 3.46Å; I462-W467 HydrophobicContact CD1-CH2 4.17Å; I462-W467 HydrophobicContact CD1-CZ2 4.23Å; I462-W467 HydrophobicContact CG2-CB 4.34Å; I462-W467 HydrophobicContact CG2-CD2 3.58Å; I462-W467 HydrophobicContact CG2-CE3 3.22Å; I462-W467 HydrophobicContact CG2-CG 4.11Å; I462-W467 HydrophobicContact CG2-CH2 4.25Å; I462-W467 HydrophobicContact CG2-CZ3 3.62Å; I462-L477 HydrophobicContact CD1-CD1 3.63Å; I462-L477 HydrophobicContact CG1-CD1 3.58Å
463	Q	84.1	Confident	73.1	Confident	117 Å²	117	73.4 Å²	73.4	55%	0.547	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	134.4	169	-58.1	178.9	-82.2	0	0	109.4	D465	Q463-D465 VanDerWaalsContact C-N 3.34Å; Q463-D465 WeakPolarHBondContact CB-OD1 3.26Å
464	M	83.9	Confident	73.5	Confident	16 Å²	16	70.1 Å²	70.1	8%	0.079	35%	0.345	C	S	.	.	S	Bend	trans	-87.6	-2.1	-173.7	-60.2	-74.9	87.1	0	0	113.6	L363 L372 L400 L436 R439 L441 I462 W467	L363-M464 HydrophobicContact CD1-CE 3.97Å; L372-M464 HydrophobicContact CD2-SD 4.31Å; L400-M464 HydrophobicContact CD1-CG 4.39Å; L436-M464 HydrophobicContact CD1-CB 4.11Å; L436-M464 HydrophobicContact CD1-CG 3.81Å; L436-M464 HydrophobicContact CD1-SD 3.98Å; L436-M464 HydrophobicContact CG-CB 4.17Å; L436-M464 HydrophobicContact CG-CG 4.41Å; L436-M464 WeakPolarHBondContact O-CB 3.47Å; R439-M464 HydrophobicContact CB-CG 4.25Å; R439-M464 WeakPolarHBondContact O-CB 2.95Å; R439-M464 VanDerWaalsContact O-CG 3.24Å; R439-M464 WeakPolarHBondContact O-CG 3.41Å; R439-M464 PolarHBondContact O-N 3.49Å; L441-M464 HydrophobicContact CB-CE 3.74Å; L441-M464 HydrophobicContact CB-SD 3.93Å; L441-M464 HydrophobicContact CD2-CE 4.44Å; I462-M464 HydrophobicContact CB-CE 3.74Å; I462-M464 HydrophobicContact CG2-CE 3.46Å; I462-M464 VanDerWaalsContact CG2-CE 3.46Å; M464-W467 HydrophobicContact CE-CB 4.42Å
465	D	76.3	Confident	73.8	Confident	94 Å²	94	70.3 Å²	70.3	50%	0.503	35%	0.345	S	S	.	.	S	Bend	trans	-76	-36.7	175.1	53.5	2.3	0	0	0	113.4	T437 Q463	T437-D465 HydrophobicContact CG2-CB 3.87Å; T437-D465 PolarHBondContact O-N 3.29Å; Q463-D465 VanDerWaalsContact C-N 3.34Å; Q463-D465 WeakPolarHBondContact CB-OD1 3.26Å
466	S	59.7	Low	74	Confident	86 Å²	86	71.1 Å²	71.1	60%	0.601	35%	0.351	S	S	*	.	S	Bend	trans	-104.5	-6.3	-169.6	43.7	0	0	0	0	112.5
467	W	66.3	Low	74.1	Confident	60 Å²	60	72.3 Å²	72.3	23%	0.227	36%	0.358	C	S	.	.			trans	-87.2	115.3	-176.2	-155.6	-92.6	0	0	0	113	F361 L363 I462 M464 L469 H475 L477	F361-W467 AromaticContact CE2-CZ2 3.87Å; F361-W467 HydrophobicContact CE2-CZ2 3.87Å; F361-W467 HydrophobicContact CZ-CH2 4.13Å; F361-W467 AromaticContact CZ-CZ2 3.84Å; F361-W467 HydrophobicContact CZ-CZ2 3.84Å; L363-W467 HydrophobicContact CD1-CG 4.41Å; I462-W467 HydrophobicContact CD1-CH2 4.17Å; I462-W467 HydrophobicContact CD1-CZ2 4.23Å; I462-W467 HydrophobicContact CG2-CB 4.34Å; I462-W467 HydrophobicContact CG2-CD2 3.58Å; I462-W467 HydrophobicContact CG2-CE3 3.22Å; I462-W467 HydrophobicContact CG2-CG 4.11Å; I462-W467 HydrophobicContact CG2-CH2 4.25Å; I462-W467 HydrophobicContact CG2-CZ3 3.62Å; M464-W467 HydrophobicContact CE-CB 4.42Å; W467-L469 PolarHBondContact O-N 3.15Å; W467-H475 AromaticContact CE2-CD2 3.96Å; W467-H475 AromaticContact CE2-CE1 3.84Å; W467-H475 AromaticContact CE2-NE2 3.76Å; W467-H475 HydrophobicContact CH2-CB 4.28Å; W467-H475 HydrophobicContact CZ2-CB 3.7Å; W467-H475 AromaticContact CZ2-CD2 3.63Å; W467-H475 AromaticContact CZ2-CE1 3.77Å; W467-H475 AromaticContact CZ2-CG 3.4Å; W467-H475 AromaticContact CZ2-ND1 3.5Å; W467-H475 WeakPolarHBondContact CZ2-ND1 3.49Å; W467-H475 AromaticContact CZ2-NE2 3.84Å; W467-H475 AromaticContact NE1-CD2 3.67Å; W467-H475 AromaticContact NE1-CE1 3.56Å; W467-H475 AromaticContact NE1-NE2 3.16Å; W467-H475 PolarHBondContact NE1-NE2 2.68Å; W467-H475 VanDerWaalsContact NE1-NE2 3.16Å; W467-L477 HydrophobicContact CH2-CD1 4.3Å; W467-L477 HydrophobicContact CH2-CD2 4.34Å
468	K	59.5	Low	74.3	Confident	183 Å²	183	75.6 Å²	75.6	80%	0.796	38%	0.38	S	S	*	.			trans	-68.4	104.6	171.9	-68.3	-173	178.3	-176.4	0	110	D470	K468-D470 PolarHBondContact O-N 2.78Å
469	L	65.8	Low	74.5	Confident	50 Å²	50	76.2 Å²	76.2	26%	0.262	38%	0.383	S	S	.	.			trans	-82.2	39.9	-172.4	-143.5	68.6	0	0	0	113.6	L363 Y365 L372 L436 W467	L363-L469 HydrophobicContact CB-CD1 3.56Å; L363-L469 HydrophobicContact CD1-CD1 4.18Å; Y365-L469 VanDerWaalsContact CB-CD2 3.41Å; L372-L469 HydrophobicContact CD1-CD1 4.34Å; L372-L469 HydrophobicContact CD1-CD2 4.29Å; L436-L469 HydrophobicContact CD2-CD2 4.21Å; W467-L469 PolarHBondContact O-N 3.15Å
470	D	54.2	Low	73.9	Confident	128 Å²	128	78.8 Å²	78.8	68%	0.684	40%	0.395	S	S	*	.			trans	-94.6	143	-168	-158.1	-1.9	0	0	0	113.2	K468 K472	K468-D470 PolarHBondContact O-N 2.78Å; D470-K472 PolarHBondContact O-N 2.82Å
471	K	53	Low	73.2	Confident	136 Å²	136	80.4 Å²	80.4	59%	0.591	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	69	-156	-62	167.5	-170.6	158	0	112.4	K364	K364-K471 HydrophobicContact CG-CG 4.35Å
472	K	49.9	Very low	71.8	Confident	199 Å²	199	79 Å²	79	87%	0.865	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-171	-19.1	156.4	-108.5	149.8	-170.8	-179.8	0	118.1	D470	D470-K472 PolarHBondContact O-N 2.82Å
473	L	56.8	Low	69.8	Low	126 Å²	126	84.3 Å²	84.3	66%	0.66	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-77.8	133.3	-178.4	-95.1	75.9	0	0	0	111.8
474	D	69.6	Low	67.4	Low	88 Å²	88	82.9 Å²	82.9	47%	0.471	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-84.5	118.7	165.2	-70.1	-27.6	0	0	0	108.9	K377	K377-D474 WeakPolarHBondContact CD-OD1 3.47Å; K377-D474 WeakPolarHBondContact CE-OD1 3.34Å; K377-D474 IonicContact NZ-OD1 3.09Å; K377-D474 PolarHBondContact NZ-OD1 3.31Å; K377-D474 IonicContact NZ-OD2 2.68Å; K377-D474 PolarHBondContact NZ-OD2 3.2Å
475	H	80.6	Confident	64.9	Low	35 Å²	35	85.7 Å²	85.7	16%	0.162	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.6	-177.1	-51.5	-77.7	0	0	0	109.6	A360 F361 W467	A360-H475 VanDerWaalsContact CA-O 3.3Å; A360-H475 WeakPolarHBondContact CA-O 3.28Å; F361-H475 WeakPolarHBondContact CD1-O 3.18Å; F361-H475 HydrophobicContact CD2-CB 4.35Å; F361-H475 HydrophobicContact CE1-CB 4.08Å; F361-H475 HydrophobicContact CE2-CB 3.75Å; F361-H475 AromaticContact CE2-CD2 3.99Å; F361-H475 HydrophobicContact CZ-CB 3.56Å; F361-H475 PolarHBondContact N-O 3.22Å; F361-H475 PolarHBondContact O-N 2.85Å; W467-H475 AromaticContact CE2-CD2 3.96Å; W467-H475 AromaticContact CE2-CE1 3.84Å; W467-H475 AromaticContact CE2-NE2 3.76Å; W467-H475 HydrophobicContact CH2-CB 4.28Å; W467-H475 HydrophobicContact CZ2-CB 3.7Å; W467-H475 AromaticContact CZ2-CD2 3.63Å; W467-H475 AromaticContact CZ2-CE1 3.77Å; W467-H475 AromaticContact CZ2-CG 3.4Å; W467-H475 AromaticContact CZ2-ND1 3.5Å; W467-H475 WeakPolarHBondContact CZ2-ND1 3.49Å; W467-H475 AromaticContact CZ2-NE2 3.84Å; W467-H475 AromaticContact NE1-CD2 3.67Å; W467-H475 AromaticContact NE1-CE1 3.56Å; W467-H475 AromaticContact NE1-NE2 3.16Å; W467-H475 PolarHBondContact NE1-NE2 2.68Å; W467-H475 VanDerWaalsContact NE1-NE2 3.16Å
476	C	86.4	Confident	62.7	Low	51 Å²	51	88.8 Å²	88.8	35%	0.345	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	97.1	-176	-174.8	0	0	0	0	110.8	R358 I359	R358-C476 PolarHBondContact NE-SG 3.42Å; R358-C476 VanDerWaalsContact NE-SG 3.44Å; R358-C476 PolarHBondContact NH2-O 3.49Å; I359-C476 CarbonylContact O-C 3.41Å; I359-C476 WeakPolarHBondContact O-CA 3.33Å
477	L	87.8	Confident	61.2	Low	41 Å²	41	87.9 Å²	87.9	22%	0.215	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.9	-178.1	-66.5	178.4	0	0	0	111.4	R358 I359 F361 A460 I462 W467	R358-L477 CarbonylContact C-O 3.44Å; R358-L477 WeakPolarHBondContact CA-O 3.05Å; R358-L477 WeakPolarHBondContact CB-O 3.4Å; I359-L477 HydrophobicContact CG2-CB 4.37Å; I359-L477 PolarHBondContact N-O 3Å; I359-L477 PolarHBondContact O-N 2.96Å; F361-L477 HydrophobicContact CE1-CB 4.29Å; F361-L477 HydrophobicContact CE1-CD1 3.79Å; F361-L477 HydrophobicContact CE1-CG 3.83Å; F361-L477 HydrophobicContact CZ-CD1 3.71Å; F361-L477 HydrophobicContact CZ-CG 4Å; A460-L477 HydrophobicContact CB-CB 4.3Å; I462-L477 HydrophobicContact CD1-CD1 3.63Å; I462-L477 HydrophobicContact CG1-CD1 3.58Å; W467-L477 HydrophobicContact CH2-CD1 4.3Å; W467-L477 HydrophobicContact CH2-CD2 4.34Å
478	P	86.9	Confident	59.6	Low	70 Å²	70	91.7 Å²	91.7	46%	0.455	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143	169.7	31	-34.4	0	0	0	110.3
479	L	87.6	Confident	58.2	Low	12 Å²	12	88.1 Å²	88.1	6%	0.063	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-86	133.1	170.2	-67.2	168.5	0	0	0	108.9	V355 G357 I359 L382 V445 E459 A460	V355-L479 HydrophobicContact CG1-CB 4.07Å; G357-L479 PolarHBondContact O-N 3.35Å; I359-L479 HydrophobicContact CB-CD2 4.15Å; I359-L479 HydrophobicContact CG2-CD2 3.84Å; I359-L479 HydrophobicContact CG2-CG 4.43Å; L382-L479 HydrophobicContact CD2-CD1 3.26Å; V445-L479 HydrophobicContact CB-CD1 4.44Å; V445-L479 HydrophobicContact CG2-CD1 3.8Å; V445-L479 HydrophobicContact CG2-CD2 3.74Å; V445-L479 HydrophobicContact CG2-CG 4.46Å; E459-L479 WeakPolarHBondContact O-CA 3.2Å; A460-L479 HydrophobicContact CB-CD2 4.2Å
480	H	79.3	Confident	56.6	Low	71 Å²	71	89.2 Å²	89.2	33%	0.329	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-113.5	162.8	176.7	39.6	84.8	0	0	0	111.3	G458 E459	G458-H480 WeakPolarHBondContact CA-O 3.39Å; E459-H480 PolarHBondContact N-O 2.96Å; E459-H480 PolarHBondContact O-CD2 3.23Å; E459-H480 PolarHBondContact O-CE1 2.53Å; E459-H480 PolarHBondContact O-N 3.19Å; E459-H480 PolarHBondContact O-ND1 2.97Å
481	G	72.1	Confident	55.6	Low	34 Å²	34	89.9 Å²	89.9	35%	0.351	52%	0.517	S	S	.	.			trans	-57.4	166.7	171.2	0	0	0	0	0	111.8	I483	G481-I483 PolarHBondContact O-N 2.74Å
482	K	61.7	Low	55	Low	57 Å²	57	87.3 Å²	87.3	25%	0.248	51%	0.514	C	S	.	.			trans	-70.4	98.6	168.2	-117.6	-174.8	178.3	-152.8	0	108.3	S345 F350 F456 E459 S484	S345-K482 PolarHBondContact O-NZ 3.31Å; F350-K482 HydrophobicContact CD1-CD 4.41Å; F350-K482 HydrophobicContact CE1-CD 3.65Å; F350-K482 HydrophobicContact CE2-CB 4.39Å; F350-K482 HydrophobicContact CE2-CD 3.79Å; F350-K482 HydrophobicContact CZ-CD 3.31Å; F456-K482 HydrophobicContact CE1-CB 4Å; F456-K482 HydrophobicContact CE1-CG 4.16Å; F456-K482 HydrophobicContact CE2-CD 4.34Å; F456-K482 HydrophobicContact CE2-CG 4.1Å; F456-K482 HydrophobicContact CZ-CB 4.06Å; F456-K482 HydrophobicContact CZ-CD 4.41Å; F456-K482 HydrophobicContact CZ-CG 3.73Å; E459-K482 VanDerWaalsContact CD-CG 3.41Å; E459-K482 WeakPolarHBondContact OE1-CG 3.43Å; E459-K482 WeakPolarHBondContact OE2-CE 3.13Å; E459-K482 VanDerWaalsContact OE2-CG 3.28Å; E459-K482 WeakPolarHBondContact OE2-CG 3.42Å; K482-S484 PolarHBondContact O-N 2.88Å
483	I	43.8	Very low	54.7	Low	117 Å²	117	82 Å²	82	60%	0.6	50%	0.502	S	S	*	.			trans	-72.1	94.8	178.9	-63.9	172.4	0	0	0	106.7	G481 A485	G481-I483 PolarHBondContact O-N 2.74Å; I483-A485 PolarHBondContact O-N 3.36Å
484	S	34	Very low	54.5	Low	86 Å²	86	80.1 Å²	80.1	60%	0.601	49%	0.49	S	S	*	.			trans	-45.3	135.8	143.2	-87.5	0	0	0	0	106.8	K482 E486	K482-S484 PolarHBondContact O-N 2.88Å; S484-E486 PolarHBondContact O-N 2.88Å
485	A	32.3	Very low	54.4	Low	76 Å²	76	78.9 Å²	78.9	63%	0.628	48%	0.48	S	S	*	.	S	Bend	trans	-68.1	71.7	-173	0	0	0	0	0	112.5	I483	I483-A485 PolarHBondContact O-N 3.36Å
486	E	30.3	Very low	54.5	Low	158 Å²	158	77.5 Å²	77.5	74%	0.738	48%	0.476	S	S	*	.			trans	-111	67.6	174.4	-69.1	173.2	-141	0	0	105.9	S484	S484-E486 PolarHBondContact O-N 2.88Å
487	S	26.7	Very low	54.7	Low	67 Å²	67	78.1 Å²	78.1	47%	0.469	47%	0.474	S	S	.	.			trans	-60.1	143.3	157.3	53.2	0	0	0	0	107.5	T489	S487-T489 WeakPolarHBondContact CB-OG1 3.48Å; S487-T489 PolarHBondContact O-N 2.95Å; S487-T489 PolarHBondContact OG-OG1 2.84Å
488	P	34	Very low	55	Low	140 Å²	140	76.2 Å²	76.2	91%	0.909	46%	0.463	S	S	*	.	S	Bend	trans	-65	4.5	178.2	26.8	-34.7	0	0	0	113.7
489	T	29.2	Very low	55.4	Low	108 Å²	108	73 Å²	73	66%	0.663	44%	0.443	S	S	*	.	S	Bend	trans	-103.6	49.6	177.9	47.9	0	0	0	0	113.1	S487 L491	S487-T489 WeakPolarHBondContact CB-OG1 3.48Å; S487-T489 PolarHBondContact O-N 2.95Å; S487-T489 PolarHBondContact OG-OG1 2.84Å; T489-L491 VanDerWaalsContact C-N 3.32Å; T489-L491 PolarHBondContact O-N 2.79Å
490	G	33	Very low	55.8	Low	73 Å²	73	72.5 Å²	72.5	75%	0.753	44%	0.44	S	S	*	.			trans	57.8	13.6	139.1	0	0	0	0	0	121.5
491	L	32.2	Very low	56.6	Low	142 Å²	142	69.1 Å²	69.1	74%	0.743	42%	0.424	S	S	*	.			trans	-116.4	114.7	-179.6	-143.8	77	0	0	0	111.5	T489	T489-L491 VanDerWaalsContact C-N 3.32Å; T489-L491 PolarHBondContact O-N 2.79Å
492	P	40.5	Very low	57.7	Low	83 Å²	83	67.5 Å²	67.5	54%	0.539	41%	0.408	S	S	.	.			trans	-64.7	141.6	-178.7	-20.9	32.4	0	0	0	112.8	H494	P492-H494 VanDerWaalsContact C-N 3.28Å; P492-H494 PolarHBondContact O-CD2 3.41Å; P492-H494 PolarHBondContact O-N 3.06Å; P492-H494 PolarHBondContact O-NE2 3.47Å
493	S	44.7	Very low	59.3	Low	87 Å²	87	66.9 Å²	66.9	61%	0.608	41%	0.405	S	S	*	.			trans	-74.8	83.2	168	-168.3	0	0	0	0	110	K495	S493-K495 PolarHBondContact O-N 3.46Å
494	H	52.9	Low	61.5	Low	87 Å²	87	61.7 Å²	61.7	40%	0.403	38%	0.378	S	S	.	.			trans	-61.4	128.7	-179.4	-49.5	-71.7	0	0	0	110.8	P492 Q658	P492-H494 VanDerWaalsContact C-N 3.28Å; P492-H494 PolarHBondContact O-CD2 3.41Å; P492-H494 PolarHBondContact O-N 3.06Å; P492-H494 PolarHBondContact O-NE2 3.47Å; H494-Q658 VanDerWaalsContact CE1-CD 3.42Å; H494-Q658 PolarHBondContact CE1-NE2 2.92Å; H494-Q658 PolarHBondContact CE1-OE1 3.29Å; H494-Q658 PolarHBondContact ND1-OE1 3.18Å; H494-Q658 VanDerWaalsContact ND1-OE1 3.09Å
495	K	67.3	Low	64.2	Low	62 Å²	62	60.2 Å²	60.2	27%	0.27	36%	0.363	S	S	.	.			trans	-90.5	0.6	178	-75.6	-154.5	172.5	-170.5	0	115	S493 T538 L612	S493-K495 PolarHBondContact O-N 3.46Å; K495-T538 WeakPolarHBondContact CA-OG1 3.47Å; K495-T538 PolarHBondContact O-N 2.97Å; K495-T538 PolarHBondContact O-OG1 3.21Å; K495-T538 VanDerWaalsContact O-OG1 3.07Å; K495-L612 VanDerWaalsContact CB-O 3.22Å; K495-L612 WeakPolarHBondContact CB-O 3.32Å; K495-L612 WeakPolarHBondContact CD-O 3.48Å
496	G	82.4	Confident	66.8	Low	6 Å²	6	59.6 Å²	59.6	6%	0.062	35%	0.352	C	S	.	.			trans	135.2	-176.5	-172.1	0	0	0	0	0	110.9	K535 N536 L659	G496-K535 CarbonylContact C-O 3.53Å; G496-K535 VanDerWaalsContact CA-O 3.22Å; G496-K535 WeakPolarHBondContact CA-O 3.48Å; G496-N536 VanDerWaalsContact CA-O 3.3Å; G496-N536 WeakPolarHBondContact CA-O 3.48Å; G496-L659 WeakPolarHBondContact O-CB 3.46Å; G496-L659 PolarHBondContact O-N 3.2Å
497	E	90.9	Very high	69.2	Low	64 Å²	64	54.5 Å²	54.5	30%	0.299	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.6	178.4	-65.9	167.8	-173.3	0	0	110	A534 K535 T656 L657	E497-A534 CarbonylContact O-C 3.6Å; E497-A534 WeakPolarHBondContact O-CA 3.22Å; E497-A534 VanDerWaalsContact O-CB 3.25Å; E497-A534 WeakPolarHBondContact O-CB 3.4Å; E497-K535 HydrophobicContact CB-CB 4.33Å; E497-K535 PolarHBondContact N-O 3.48Å; E497-K535 PolarHBondContact O-N 3.1Å; E497-T656 HydrophobicContact CB-CG2 3.87Å; E497-T656 HydrophobicContact CG-CG2 4.14Å; E497-L657 CarbonylContact C-O 3.55Å; E497-L657 WeakPolarHBondContact CA-O 3.47Å
498	L	93.6	Very high	71.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.2	174.5	-174.2	71.9	0	0	0	109.4	V500 I531 A534 V550 Y577 L598 V600 V615 L657 L659	L498-V500 HydrophobicContact CD2-CG1 3.92Å; L498-V500 HydrophobicContact CG-CG1 3.82Å; L498-I531 HydrophobicContact CD1-CG2 4.29Å; L498-A534 HydrophobicContact CD1-CB 3.94Å; L498-V550 HydrophobicContact CD1-CG2 4.16Å; L498-Y577 HydrophobicContact CD1-CE2 4.38Å; L498-L598 HydrophobicContact CD2-CB 4.24Å; L498-L598 HydrophobicContact CD2-CD1 4.15Å; L498-V600 HydrophobicContact CD1-CG2 4.2Å; L498-V600 HydrophobicContact CD2-CG2 4.42Å; L498-V615 HydrophobicContact CD2-CG2 4.23Å; L498-L657 PolarHBondContact N-O 2.79Å; L498-L657 PolarHBondContact O-N 2.72Å; L498-L659 HydrophobicContact CB-CD2 3.86Å; L498-L659 HydrophobicContact CB-CG 4.36Å; L498-L659 HydrophobicContact CD2-CD2 4.49Å
499	V	95.1	Very high	72.3	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.6	178	-172.1	0	0	0	0	108.8	K532 E533 T656	V499-K532 HydrophobicContact CG1-CB 4.45Å; V499-K532 HydrophobicContact CG1-CD 4.28Å; V499-K532 PolarHBondContact O-N 3.37Å; V499-K532 VanDerWaalsContact O-N 3.13Å; V499-E533 HydrophobicContact CB-CG 3.71Å; V499-E533 HydrophobicContact CG2-CG 3.77Å; V499-E533 PolarHBondContact N-O 2.73Å; V499-E533 PolarHBondContact O-N 3.09Å; V499-T656 HydrophobicContact CG2-CG2 4.25Å
500	V	96.4	Very high	73.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.7	-178.3	-53.8	0	0	0	0	111.6	L498 L502 W530 I531 L598 L617 L641 E654 G655 L657	L498-V500 HydrophobicContact CD2-CG1 3.92Å; L498-V500 HydrophobicContact CG-CG1 3.82Å; V500-L502 HydrophobicContact CG2-CD2 4.47Å; V500-W530 CarbonylContact C-O 3.45Å; V500-W530 VanDerWaalsContact CA-O 3.31Å; V500-W530 WeakPolarHBondContact CA-O 3.48Å; V500-I531 HydrophobicContact CG1-CD1 3.79Å; V500-L598 HydrophobicContact CG1-CD1 4Å; V500-L617 HydrophobicContact CG2-CD1 4.31Å; V500-L641 HydrophobicContact CG2-CD2 3.74Å; V500-E654 WeakPolarHBondContact O-CA 3.37Å; V500-G655 PolarHBondContact N-O 3.43Å; V500-G655 PolarHBondContact O-N 2.91Å; V500-L657 HydrophobicContact CG2-CD1 3.78Å
501	S	95.9	Very high	73.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.6	167.1	-50.3	0	0	0	0	110.2	V529 W530 K532 W652 A653	S501-V529 CarbonylContact O-C 3.5Å; S501-V529 WeakPolarHBondContact O-CA 3.48Å; S501-W530 PolarHBondContact N-O 3.03Å; S501-W530 PolarHBondContact O-N 2.71Å; S501-K532 WeakPolarHBondContact OG-CE 3.33Å; S501-W652 WeakPolarHBondContact O-CZ3 3.47Å; S501-A653 CarbonylContact C-O 3.53Å; S501-A653 VanDerWaalsContact CA-O 3.31Å; S501-A653 WeakPolarHBondContact CA-O 3.4Å
502	L	95.3	Very high	74.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.2	179.1	-50.7	-178.6	0	0	0	109.5	V500 V529 L596 L617 L641 W642 M645 A653	V500-L502 HydrophobicContact CG2-CD2 4.47Å; L502-V529 HydrophobicContact CD2-CB 4.26Å; L502-V529 HydrophobicContact CD2-CG1 3.81Å; L502-V529 HydrophobicContact CD2-CG2 3.99Å; L502-L596 HydrophobicContact CD2-CD2 3.88Å; L502-L617 HydrophobicContact CD1-CD1 4.23Å; L502-L617 HydrophobicContact CD1-CD2 4.47Å; L502-L617 HydrophobicContact CD2-CD1 4.18Å; L502-L641 HydrophobicContact CD1-CD2 4.31Å; L502-L641 HydrophobicContact CD1-CG 3.94Å; L502-L641 HydrophobicContact CG-CD2 4.37Å; L502-L641 HydrophobicContact CG-CG 4.27Å; L502-W642 HydrophobicContact CD1-CE3 4.01Å; L502-M645 HydrophobicContact CB-CB 3.84Å; L502-M645 HydrophobicContact CB-CG 3.76Å; L502-M645 HydrophobicContact CD1-CB 4.33Å; L502-M645 HydrophobicContact CD1-CE 4.43Å; L502-A653 PolarHBondContact N-O 3.44Å; L502-A653 PolarHBondContact O-N 3.25Å
503	K	93.9	Very high	75.5	Confident	44 Å²	44	61.8 Å²	61.8	19%	0.191	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	124.8	173.8	165.2	168.5	167	152.2	0	109.3	I505 Q528 G650 S651 W652	K503-I505 HydrophobicContact CG-CG1 4.16Å; K503-Q528 HydrophobicContact CB-CB 4.35Å; K503-Q528 PolarHBondContact N-O 3.24Å; K503-Q528 PolarHBondContact O-N 3.45Å; K503-G650 WeakPolarHBondContact CD-O 3.48Å; K503-G650 WeakPolarHBondContact CE-O 3.32Å; K503-G650 PolarHBondContact NZ-O 3.48Å; K503-S651 WeakPolarHBondContact CA-O 3.28Å; K503-S651 WeakPolarHBondContact CB-O 3.31Å; K503-S651 WeakPolarHBondContact CG-O 3.39Å; K503-W652 HydrophobicContact CB-CD2 3.64Å; K503-W652 HydrophobicContact CB-CE3 3.37Å; K503-W652 HydrophobicContact CB-CG 4.29Å; K503-W652 HydrophobicContact CB-CH2 4.12Å; K503-W652 HydrophobicContact CB-CZ2 4.34Å; K503-W652 HydrophobicContact CB-CZ3 3.63Å; K503-W652 HydrophobicContact CD-CD2 3.93Å; K503-W652 HydrophobicContact CD-CE3 4.48Å; K503-W652 HydrophobicContact CD-CG 4.23Å; K503-W652 HydrophobicContact CD-CZ2 4.09Å; K503-W652 HydrophobicContact CG-CD2 4.44Å
504	Y	91.9	Very high	75.4	Confident	7 Å²	7	61.3 Å²	61.3	3%	0.027	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.8	171.2	174.3	-109.4	0	0	0	110.1	P506 E526 L527 V586 L588 L591 M645 P649 G650	Y504-P506 HydrophobicContact CD1-CG 4.26Å; Y504-P506 HydrophobicContact CE1-CB 4.17Å; Y504-P506 HydrophobicContact CE1-CG 3.89Å; Y504-E526 CarbonylContact C-O 3.51Å; Y504-E526 WeakPolarHBondContact CA-O 3.07Å; Y504-L527 HydrophobicContact CD2-CB 4.47Å; Y504-V586 WeakPolarHBondContact CE2-O 3.43Å; Y504-V586 PolarHBondContact OH-O 3.05Å; Y504-L588 HydrophobicContact CD1-CD1 4.12Å; Y504-L588 HydrophobicContact CE1-CB 3.96Å; Y504-L588 HydrophobicContact CE1-CD1 3.94Å; Y504-L588 HydrophobicContact CE1-CG 4.44Å; Y504-L588 PolarHBondContact OH-N 2.98Å; Y504-L591 HydrophobicContact CD1-CD1 4.15Å; Y504-L591 HydrophobicContact CD2-CD1 3.8Å; Y504-L591 HydrophobicContact CE1-CD1 4.45Å; Y504-L591 HydrophobicContact CE2-CD1 4.12Å; Y504-L591 HydrophobicContact CG-CD1 3.81Å; Y504-M645 VanDerWaalsContact CB-SD 3.57Å; Y504-P649 HydrophobicContact CD1-CB 4.27Å; Y504-P649 CarbonylContact O-C 3.46Å; Y504-P649 WeakPolarHBondContact O-CA 3.49Å; Y504-G650 PolarHBondContact O-N 3Å
505	I	90.4	Very high	75.4	Confident	56 Å²	56	64.9 Å²	64.9	29%	0.287	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.3	175.1	-53.2	177.6	0	0	0	106.7	K503 G525 E526 Q528	K503-I505 HydrophobicContact CG-CG1 4.16Å; I505-G525 CarbonylContact O-C 3.48Å; I505-G525 VanDerWaalsContact O-CA 3.24Å; I505-G525 WeakPolarHBondContact O-CA 3.18Å; I505-E526 HydrophobicContact CB-CB 4.33Å; I505-E526 PolarHBondContact N-O 3.47Å; I505-E526 PolarHBondContact O-N 3.48Å; I505-Q528 HydrophobicContact CD1-CG 4.44Å
506	P	86	Confident	74.5	Confident	63 Å²	63	73.4 Å²	73.4	41%	0.409	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-61.1	148	174.1	-20	32.3	0	0	0	110.9	Y504 S508 P649	Y504-P506 HydrophobicContact CD1-CG 4.26Å; Y504-P506 HydrophobicContact CE1-CB 4.17Å; Y504-P506 HydrophobicContact CE1-CG 3.89Å; P506-S508 PolarHBondContact O-N 3.49Å; P506-P649 HydrophobicContact CG-CB 3.69Å; P506-P649 HydrophobicContact CG-CG 4.49Å
507	A	81.5	Confident	72.6	Confident	51 Å²	51	82.6 Å²	82.6	42%	0.421	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-56.2	133.7	167.3	0	0	0	0	0	109.8	K509	A507-K509 PolarHBondContact O-N 2.93Å
508	S	68.3	Low	70.5	Confident	115 Å²	115	89.8 Å²	89.8	80%	0.804	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-62.6	127.8	169.9	39.9	0	0	0	0	109.1	P506	P506-S508 PolarHBondContact O-N 3.49Å
509	K	56.3	Low	67.9	Low	195 Å²	195	94.7 Å²	94.7	85%	0.848	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-58.2	132.5	169.4	-67.4	-178	178.2	-178.9	0	107.9	A507	A507-K509 PolarHBondContact O-N 2.93Å
510	P	52.5	Low	65.6	Low	110 Å²	110	105.3 Å²	105.3	71%	0.714	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-60	137.4	173	25.6	-33.2	0	0	0	109.1
511	P	44	Very low	62.9	Low	116 Å²	116	108.3 Å²	108.3	75%	0.753	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-63.3	140.1	175.5	27.1	-33.8	0	0	0	109.9	G513	P511-G513 PolarHBondContact O-N 3.42Å; P511-G513 VanDerWaalsContact O-N 3.15Å
512	V	52.6	Low	60.6	Low	158 Å²	158	111.7 Å²	111.7	96%	0.958	65%	0.649	S	S	*	*	S	Bend	trans	-73.3	107.8	178.2	179	0	0	0	0	108.9
513	G	52.9	Low	59	Low	71 Å²	71	120.9 Å²	120.9	73%	0.732	69%	0.692	S	S	*	*	S	Bend	trans	98.6	109.6	179.3	0	0	0	0	0	113	P511	P511-G513 PolarHBondContact O-N 3.42Å; P511-G513 VanDerWaalsContact O-N 3.15Å
514	G	44.1	Very low	58	Low	77 Å²	77	119.7 Å²	119.7	79%	0.794	69%	0.692	S	S	*	*			trans	160.1	86.7	176.2	0	0	0	0	0	113.8	R516	G514-R516 PolarHBondContact O-N 2.8Å
515	D	51.8	Low	57.7	Low	163 Å²	163	119.6 Å²	119.6	87%	0.872	69%	0.693	S	S	*	*			trans	-62.1	114.4	173	-94.7	-67.2	0	0	0	112.3
516	R	48	Very low	57.7	Low	240 Å²	240	119.4 Å²	119.4	91%	0.906	69%	0.691	S	S	*	*			trans	-165.8	123.6	149.1	-104.3	139.3	-162.8	-146.2	1.9	115.3	G514	G514-R516 PolarHBondContact O-N 2.8Å
517	K	44.1	Very low	58	Low	199 Å²	199	116.4 Å²	116.4	87%	0.865	67%	0.671	S	S	*	*			trans	49.8	80.9	141.1	-156.2	173.1	-171.4	176.8	0	117.2	S519	K517-S519 PolarHBondContact O-N 3.08Å
518	K	45.4	Very low	58.6	Low	216 Å²	216	115.7 Å²	115.7	94%	0.939	66%	0.659	S	S	*	*			trans	-26.4	94	165	-166.4	171	-169.8	168	0	114.5
519	S	40.5	Very low	59.9	Low	103 Å²	103	110.2 Å²	110.2	72%	0.72	62%	0.621	S	S	*	*			trans	-76.8	155.4	169.7	57.9	0	0	0	0	110.5	K517 G521	K517-S519 PolarHBondContact O-N 3.08Å; S519-G521 PolarHBondContact O-N 3.4Å
520	K	44.8	Very low	61.8	Low	226 Å²	226	104.9 Å²	104.9	98%	0.983	60%	0.595	S	S	*	*	S	Bend	trans	-102.7	56.2	-170.3	-160.5	179.2	-179.8	-177.2	0	111.7
521	G	40.9	Very low	63.9	Low	64 Å²	64	99.6 Å²	99.6	66%	0.66	56%	0.561	S	S	*	*			trans	-140.9	144.2	176.8	0	0	0	0	0	110.8	S519	S519-G521 PolarHBondContact O-N 3.4Å
522	G	47	Very low	66.3	Low	72 Å²	72	95.9 Å²	95.9	74%	0.742	53%	0.533	S	S	*	.			trans	-87.9	162.3	-167.2	0	0	0	0	0	115.9	G524	G522-G524 VanDerWaalsContact C-N 3.27Å; G522-G524 PolarHBondContact O-N 3.35Å
523	E	62.8	Low	68.2	Low	193 Å²	193	90.1 Å²	90.1	90%	0.902	50%	0.496	S	S	*	.	S	Bend	trans	-77	59.9	-175.7	-58.6	170.5	117.2	0	0	113.2
524	G	72.9	Confident	70.1	Confident	18 Å²	18	86.8 Å²	86.8	19%	0.186	46%	0.461	C	S	.	.			trans	-141.2	152.4	179.4	0	0	0	0	0	113.1	G522	G522-G524 VanDerWaalsContact C-N 3.27Å; G522-G524 PolarHBondContact O-N 3.35Å
525	G	85.7	Confident	72.2	Confident	5 Å²	5	86.3 Å²	86.3	5%	0.052	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-175.9	178.5	0	0	0	0	0	113.5	I505 G585 V586	I505-G525 CarbonylContact O-C 3.48Å; I505-G525 VanDerWaalsContact O-CA 3.24Å; I505-G525 WeakPolarHBondContact O-CA 3.18Å; G525-G585 PolarHBondContact O-N 3.26Å; G525-V586 CarbonylContact C-O 3.57Å; G525-V586 VanDerWaalsContact CA-O 3.27Å; G525-V586 WeakPolarHBondContact CA-O 3.46Å; G525-V586 PolarHBondContact N-O 3.31Å; G525-V586 PolarHBondContact O-N 2.92Å
526	E	90.5	Very high	73.7	Confident	53 Å²	53	84 Å²	84	25%	0.248	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.7	-176.1	-179.2	-176.1	158.4	0	0	110.3	Y504 I505 Q528 V582 Y583 N584	Y504-E526 CarbonylContact C-O 3.51Å; Y504-E526 WeakPolarHBondContact CA-O 3.07Å; I505-E526 HydrophobicContact CB-CB 4.33Å; I505-E526 PolarHBondContact N-O 3.47Å; I505-E526 PolarHBondContact O-N 3.48Å; E526-Q528 HydrophobicContact CG-CG 4.04Å; E526-Q528 WeakPolarHBondContact OE1-CG 3.48Å; E526-Q528 PolarHBondContact OE1-NE2 3.09Å; E526-V582 HydrophobicContact CG-CG1 3.81Å; E526-V582 VanDerWaalsContact OE1-CG1 3.27Å; E526-V582 WeakPolarHBondContact OE1-CG1 3.37Å; E526-Y583 WeakPolarHBondContact CA-O 3.25Å; E526-N584 WeakPolarHBondContact CG-OD1 3.17Å
527	L	91.1	Very high	75.3	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.5	168.6	173.5	63.3	0	0	0	109.1	Y504 V529 L554 Y583 L591 W642 M645	Y504-L527 HydrophobicContact CD2-CB 4.47Å; L527-V529 HydrophobicContact CG-CG2 4.17Å; L527-L554 HydrophobicContact CD2-CD1 4.28Å; L527-Y583 PolarHBondContact N-O 3.29Å; L527-Y583 PolarHBondContact O-N 3.11Å; L527-L591 HydrophobicContact CD2-CD2 4.19Å; L527-W642 HydrophobicContact CD2-CH2 3.89Å; L527-W642 HydrophobicContact CD2-CZ3 4.05Å; L527-M645 HydrophobicContact CD1-CE 4Å; L527-M645 HydrophobicContact CD1-CG 4.4Å; L527-M645 HydrophobicContact CD1-SD 4.06Å
528	Q	93.7	Very high	76.9	Confident	36 Å²	36	66.3 Å²	66.3	17%	0.168	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.8	173.6	-60.6	-175.6	-20.9	0	0	110	K503 I505 E526 T580 W652	K503-Q528 HydrophobicContact CB-CB 4.35Å; K503-Q528 PolarHBondContact N-O 3.24Å; K503-Q528 PolarHBondContact O-N 3.45Å; I505-Q528 HydrophobicContact CD1-CG 4.44Å; E526-Q528 HydrophobicContact CG-CG 4.04Å; E526-Q528 WeakPolarHBondContact OE1-CG 3.48Å; E526-Q528 PolarHBondContact OE1-NE2 3.09Å; Q528-T580 HydrophobicContact CB-CG2 4.31Å; Q528-W652 HydrophobicContact CB-CH2 3.71Å; Q528-W652 HydrophobicContact CB-CZ3 4.13Å
529	V	95.9	Very high	78.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	99.7	-179.1	-179.5	0	0	0	0	108	S501 L502 L527 I531 T580 F581 Y583 L596 L598	S501-V529 CarbonylContact O-C 3.5Å; S501-V529 WeakPolarHBondContact O-CA 3.48Å; L502-V529 HydrophobicContact CD2-CB 4.26Å; L502-V529 HydrophobicContact CD2-CG1 3.81Å; L502-V529 HydrophobicContact CD2-CG2 3.99Å; L527-V529 HydrophobicContact CG-CG2 4.17Å; V529-I531 HydrophobicContact CG1-CD1 3.76Å; V529-I531 PolarHBondContact O-N 2.81Å; V529-T580 CarbonylContact O-C 3.58Å; V529-T580 WeakPolarHBondContact O-CA 3.35Å; V529-F581 HydrophobicContact CB-CB 4.2Å; V529-F581 PolarHBondContact N-O 2.97Å; V529-F581 PolarHBondContact O-N 2.68Å; V529-Y583 HydrophobicContact CG2-CD2 4.25Å; V529-Y583 HydrophobicContact CG2-CE2 4.14Å; V529-L596 HydrophobicContact CB-CD2 4.35Å; V529-L596 HydrophobicContact CG1-CD2 3.86Å; V529-L596 HydrophobicContact CG2-CD1 4.4Å; V529-L596 HydrophobicContact CG2-CD2 3.54Å; V529-L598 HydrophobicContact CG1-CD1 4.39Å
530	W	96.2	Very high	79.1	Confident	82 Å²	82	55.4 Å²	55.4	31%	0.311	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	110.7	176.8	-172.6	24.3	0	0	0	109.6	V500 S501 K532 W652	V500-W530 CarbonylContact C-O 3.45Å; V500-W530 VanDerWaalsContact CA-O 3.31Å; V500-W530 WeakPolarHBondContact CA-O 3.48Å; S501-W530 PolarHBondContact N-O 3.03Å; S501-W530 PolarHBondContact O-N 2.71Å; W530-K532 HydrophobicContact CD2-CG 3.97Å; W530-K532 HydrophobicContact CE3-CG 4.23Å; W530-K532 HydrophobicContact CG-CG 4.37Å; W530-K532 HydrophobicContact CZ2-CG 4.41Å; W530-K532 HydrophobicContact CZ3-CD 4.49Å; W530-K532 PolarHBondContact O-N 3.48Å; W530-W652 HydrophobicContact CB-CH2 3.92Å; W530-W652 HydrophobicContact CB-CZ3 3.81Å
531	I	96.6	Very high	79.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	102.2	172.5	-50.4	-59.8	0	0	0	107	L498 V500 V529 V550 T566 Y577 N578 H579 F581 L598	L498-I531 HydrophobicContact CD1-CG2 4.29Å; V500-I531 HydrophobicContact CG1-CD1 3.79Å; V529-I531 HydrophobicContact CG1-CD1 3.76Å; V529-I531 PolarHBondContact O-N 2.81Å; I531-V550 HydrophobicContact CG2-CB 4.4Å; I531-V550 HydrophobicContact CG2-CG2 3.93Å; I531-T566 HydrophobicContact CB-CG2 4.31Å; I531-T566 HydrophobicContact CG1-CG2 4.41Å; I531-T566 HydrophobicContact CG2-CG2 4.26Å; I531-Y577 HydrophobicContact CG2-CD2 3.68Å; I531-Y577 HydrophobicContact CG2-CE2 4.48Å; I531-Y577 HydrophobicContact CG2-CG 4.17Å; I531-N578 WeakPolarHBondContact O-CA 3.47Å; I531-N578 PolarHBondContact O-N 2.93Å; I531-H579 WeakPolarHBondContact CB-O 3.35Å; I531-H579 PolarHBondContact N-O 3.49Å; I531-H579 PolarHBondContact O-N 2.62Å; I531-F581 HydrophobicContact CD1-CD2 4.33Å; I531-F581 HydrophobicContact CD1-CE2 4.18Å; I531-F581 HydrophobicContact CG1-CD2 4.13Å; I531-F581 HydrophobicContact CG1-CE1 4.49Å; I531-F581 HydrophobicContact CG1-CE2 3.9Å; I531-F581 HydrophobicContact CG1-CZ 4.11Å; I531-L598 HydrophobicContact CD1-CD1 3.82Å; I531-L598 HydrophobicContact CD1-CD2 4.18Å
532	K	93.8	Very high	80	Confident	37 Å²	37	48.9 Å²	48.9	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-64.4	-178.6	-67.6	-169.6	177.8	-173.8	0	110.8	V499 S501 W530 H576 Y577 N578 E654	V499-K532 HydrophobicContact CG1-CB 4.45Å; V499-K532 HydrophobicContact CG1-CD 4.28Å; V499-K532 PolarHBondContact O-N 3.37Å; V499-K532 VanDerWaalsContact O-N 3.13Å; S501-K532 WeakPolarHBondContact OG-CE 3.33Å; W530-K532 HydrophobicContact CD2-CG 3.97Å; W530-K532 HydrophobicContact CE3-CG 4.23Å; W530-K532 HydrophobicContact CG-CG 4.37Å; W530-K532 HydrophobicContact CZ2-CG 4.41Å; W530-K532 HydrophobicContact CZ3-CD 4.49Å; W530-K532 PolarHBondContact O-N 3.48Å; K532-H576 CarbonylContact O-C 3.52Å; K532-Y577 PolarHBondContact O-N 3Å; K532-N578 PolarHBondContact O-N 2.96Å; K532-N578 PolarHBondContact O-OD1 2.74Å; K532-E654 WeakPolarHBondContact CE-OE1 3.37Å; K532-E654 IonicContact NZ-OE1 2.79Å; K532-E654 PolarHBondContact NZ-OE1 3.18Å; K532-E654 IonicContact NZ-OE2 2.72Å; K532-E654 PolarHBondContact NZ-OE2 2.75Å
533	E	93.4	Very high	80.2	Confident	37 Å²	37	48.5 Å²	48.5	17%	0.173	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	161.8	-168.8	57.2	-174.6	-166.3	0	0	111.6	V499 K535 P575 H576	V499-E533 HydrophobicContact CB-CG 3.71Å; V499-E533 HydrophobicContact CG2-CG 3.77Å; V499-E533 PolarHBondContact N-O 2.73Å; V499-E533 PolarHBondContact O-N 3.09Å; E533-K535 WeakPolarHBondContact OE1-CE 3.44Å; E533-K535 IonicContact OE1-NZ 2.68Å; E533-K535 PolarHBondContact OE1-NZ 2.85Å; E533-P575 CarbonylContact C-O 3.51Å; E533-P575 WeakPolarHBondContact CA-O 3.32Å; E533-P575 WeakPolarHBondContact CB-O 3.42Å; E533-H576 IonicContact OE2-CE1 3.21Å; E533-H576 PolarHBondContact OE2-CE1 3.38Å; E533-H576 IonicContact OE2-ND1 2.79Å; E533-H576 PolarHBondContact OE2-ND1 3.46Å
534	A	92.7	Very high	80.2	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	156.2	160.9	0	0	0	0	0	110.1	E497 L498 L537 N574 P575 Y577	E497-A534 CarbonylContact O-C 3.6Å; E497-A534 WeakPolarHBondContact O-CA 3.22Å; E497-A534 VanDerWaalsContact O-CB 3.25Å; E497-A534 WeakPolarHBondContact O-CB 3.4Å; L498-A534 HydrophobicContact CD1-CB 3.94Å; A534-L537 HydrophobicContact CB-CD1 4.03Å; A534-L537 HydrophobicContact CB-CD2 3.91Å; A534-L537 HydrophobicContact CB-CG 4.01Å; A534-N574 CarbonylContact O-C 3.55Å; A534-N574 WeakPolarHBondContact O-CA 3.49Å; A534-P575 HydrophobicContact CB-CG 3.82Å; A534-P575 PolarHBondContact N-O 3.14Å; A534-P575 VanDerWaalsContact O-CD 3.32Å; A534-P575 WeakPolarHBondContact O-CD 3.35Å; A534-Y577 HydrophobicContact CB-CE2 4.03Å
535	K	87.9	Confident	80.2	Confident	68 Å²	68	42.8 Å²	42.8	30%	0.296	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.7	-178.9	-69.9	170.2	-179.4	150.8	0	111.2	G496 E497 E533 L537 N574	G496-K535 CarbonylContact C-O 3.53Å; G496-K535 VanDerWaalsContact CA-O 3.22Å; G496-K535 WeakPolarHBondContact CA-O 3.48Å; E497-K535 HydrophobicContact CB-CB 4.33Å; E497-K535 PolarHBondContact N-O 3.48Å; E497-K535 PolarHBondContact O-N 3.1Å; E533-K535 WeakPolarHBondContact OE1-CE 3.44Å; E533-K535 IonicContact OE1-NZ 2.68Å; E533-K535 PolarHBondContact OE1-NZ 2.85Å; K535-L537 PolarHBondContact O-N 3.21Å; K535-L537 VanDerWaalsContact O-N 3.12Å; K535-N574 VanDerWaalsContact CA-OD1 3.27Å; K535-N574 WeakPolarHBondContact CA-OD1 3.48Å
536	N	83.8	Confident	79.9	Confident	114 Å²	114	42.5 Å²	42.5	61%	0.61	27%	0.27	S	S	*	.	S	Bend	trans	50.5	38	173.2	-59.8	-34.2	0	0	0	113.6	G496 L573 N574	G496-N536 VanDerWaalsContact CA-O 3.3Å; G496-N536 WeakPolarHBondContact CA-O 3.48Å; N536-L573 PolarHBondContact N-O 3.34Å; N536-N574 PolarHBondContact N-OD1 3.07Å
537	L	82.3	Confident	79.7	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.021	27%	0.265	C	S	.	.			trans	-61.5	142.4	179.1	-68.1	-178.3	0	0	0	111.4	A534 K535 A539 L573 P575 V600 L612 L659	A534-L537 HydrophobicContact CB-CD1 4.03Å; A534-L537 HydrophobicContact CB-CD2 3.91Å; A534-L537 HydrophobicContact CB-CG 4.01Å; K535-L537 PolarHBondContact O-N 3.21Å; K535-L537 VanDerWaalsContact O-N 3.12Å; L537-A539 PolarHBondContact O-N 2.54Å; L537-L573 HydrophobicContact CB-CB 4.46Å; L537-L573 WeakPolarHBondContact CB-O 3.34Å; L537-L573 WeakPolarHBondContact CG-O 3.46Å; L537-L573 PolarHBondContact N-O 3.19Å; L537-P575 HydrophobicContact CD1-CG 3.69Å; L537-V600 HydrophobicContact CD1-CG1 4.18Å; L537-V600 HydrophobicContact CD2-CG1 4.25Å; L537-L612 HydrophobicContact CD1-CD1 4.04Å; L537-L659 HydrophobicContact CD2-CD1 3.43Å; L537-L659 VanDerWaalsContact CD2-CD1 3.43Å
538	T	76.8	Confident	79.6	Confident	64 Å²	64	41.3 Å²	41.3	39%	0.393	27%	0.265	S	S	.	.			trans	-61.8	122.2	174.7	-54.9	0	0	0	0	110.7	K495 A540 L612	K495-T538 WeakPolarHBondContact CA-OG1 3.47Å; K495-T538 PolarHBondContact O-N 2.97Å; K495-T538 PolarHBondContact O-OG1 3.21Å; K495-T538 VanDerWaalsContact O-OG1 3.07Å; T538-A540 PolarHBondContact O-N 3.11Å; T538-A540 VanDerWaalsContact O-N 3.08Å; T538-L612 WeakPolarHBondContact O-CD2 3.17Å
539	A	70.5	Confident	79.6	Confident	45 Å²	45	39.9 Å²	39.9	37%	0.372	26%	0.258	S	S	.	.			trans	-68.7	104	180	0	0	0	0	0	112.3	L537 L573	L537-A539 PolarHBondContact O-N 2.54Å; A539-L573 HydrophobicContact CB-CD1 4.04Å; A539-L573 HydrophobicContact CB-CD2 3.82Å
540	A	61.7	Low	79.5	Confident	44 Å²	44	39.9 Å²	39.9	36%	0.364	26%	0.258	S	S	.	.			trans	-72.6	-33.4	177.3	0	0	0	0	0	113.3	T538 S546 D602 L612	T538-A540 PolarHBondContact O-N 3.11Å; T538-A540 VanDerWaalsContact O-N 3.08Å; A540-S546 PolarHBondContact N-OG 2.98Å; A540-S546 VanDerWaalsContact N-OG 3.12Å; A540-D602 HydrophobicContact CB-CB 4.09Å; A540-L612 HydrophobicContact CB-CD2 4.17Å
541	K	59.7	Low	79.3	Confident	34 Å²	34	36.3 Å²	36.3	15%	0.148	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-97.1	145.5	-169.9	-49.6	-163.8	-176.6	-162.2	0	112.1	G543 G544 T545 D547 D602 R603 E604	K541-G543 PolarHBondContact O-N 3.25Å; K541-G544 PolarHBondContact O-N 2.89Å; K541-T545 WeakPolarHBondContact CB-O 3.21Å; K541-T545 PolarHBondContact N-O 2.94Å; K541-D547 IonicContact NZ-OD2 2.66Å; K541-D547 PolarHBondContact NZ-OD2 3.43Å; K541-D602 WeakPolarHBondContact CE-OD1 3.48Å; K541-D602 WeakPolarHBondContact CE-OD2 3.43Å; K541-D602 IonicContact NZ-OD2 2.59Å; K541-D602 PolarHBondContact NZ-OD2 3.07Å; K541-R603 PolarHBondContact NZ-O 2.83Å; K541-E604 WeakPolarHBondContact CE-OE2 3.49Å; K541-E604 IonicContact NZ-OE2 3.6Å; K541-E604 PolarHBondContact NZ-OE2 2.72Å
542	A	45.1	Very low	79.1	Confident	119 Å²	119	36.3 Å²	36.3	98%	0.983	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-8.6	-176.9	0	0	0	0	0	115.6
543	G	51.8	Low	78.8	Confident	64 Å²	64	37 Å²	37	66%	0.66	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	20.7	170.6	0	0	0	0	0	114.6	K541 T545	K541-G543 PolarHBondContact O-N 3.25Å; G543-T545 VanDerWaalsContact C-N 3.3Å; G543-T545 PolarHBondContact O-N 3.42Å; G543-T545 PolarHBondContact O-OG1 3.39Å
544	G	61.8	Low	78.5	Confident	45 Å²	45	35.4 Å²	35.4	46%	0.464	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	23.8	175.6	0	0	0	0	0	115	K541	K541-G544 PolarHBondContact O-N 2.89Å
545	T	72.7	Confident	78.1	Confident	46 Å²	46	35.4 Å²	35.4	28%	0.282	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-140.1	173.1	-172.3	45.1	0	0	0	0	111.3	K541 G543 K571	K541-T545 WeakPolarHBondContact CB-O 3.21Å; K541-T545 PolarHBondContact N-O 2.94Å; G543-T545 VanDerWaalsContact C-N 3.3Å; G543-T545 PolarHBondContact O-N 3.42Å; G543-T545 PolarHBondContact O-OG1 3.39Å; T545-K571 WeakPolarHBondContact CG2-O 3.46Å
546	S	80	Confident	77.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	25%	0.249	C	C	.	.			trans	-147.8	150.2	179.1	-63.8	0	0	0	0	111.7	A540 K571 T572 D602	A540-S546 PolarHBondContact N-OG 2.98Å; A540-S546 VanDerWaalsContact N-OG 3.12Å; S546-K571 CarbonylContact O-C 3.43Å; S546-K571 WeakPolarHBondContact O-CA 3.14Å; S546-K571 PolarHBondContact O-N 3.21Å; S546-T572 PolarHBondContact O-N 3.05Å; S546-T572 VanDerWaalsContact O-O 3.13Å; S546-D602 WeakPolarHBondContact CA-OD1 3.3Å; S546-D602 WeakPolarHBondContact CB-OD1 3.31Å
547	D	85.6	Confident	76.7	Confident	28 Å²	28	34.8 Å²	34.8	15%	0.15	24%	0.242	C	C	.	.			trans	-104.9	68.3	178	-65.7	-37.3	0	0	0	109.3	K541 V568 M569 K570 K571 D602 R603	K541-D547 IonicContact NZ-OD2 2.66Å; K541-D547 PolarHBondContact NZ-OD2 3.43Å; D547-V568 HydrophobicContact CB-CG1 4.33Å; D547-V568 WeakPolarHBondContact O-CG1 3.45Å; D547-M569 CarbonylContact C-O 3.49Å; D547-M569 WeakPolarHBondContact CA-O 3.29Å; D547-K570 HydrophobicContact CB-CG 4.47Å; D547-K570 WeakPolarHBondContact OD1-CA 3.24Å; D547-K570 VanDerWaalsContact OD1-CB 3.29Å; D547-K570 WeakPolarHBondContact OD1-CB 3.43Å; D547-K571 PolarHBondContact OD1-N 3.36Å; D547-D602 PolarHBondContact N-OD1 3.14Å; D547-R603 PolarHBondContact O-N 2.86Å
548	S	89.8	Confident	75.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	154	-162.1	70.1	0	0	0	0	115.2	V568 M569 P575 Y577 W601	S548-V568 CarbonylContact O-C 3.57Å; S548-V568 WeakPolarHBondContact O-CA 3.29Å; S548-M569 PolarHBondContact N-O 3.31Å; S548-M569 PolarHBondContact O-N 3.46Å; S548-P575 WeakPolarHBondContact OG-CB 3.35Å; S548-P575 VanDerWaalsContact OG-CG 3.29Å; S548-P575 WeakPolarHBondContact OG-CG 3.22Å; S548-Y577 VanDerWaalsContact CB-OH 3.29Å; S548-Y577 WeakPolarHBondContact CB-OH 3.21Å; S548-Y577 PolarHBondContact OG-OH 2.67Å; S548-W601 CarbonylContact C-O 3.48Å; S548-W601 VanDerWaalsContact CA-O 3.23Å; S548-W601 WeakPolarHBondContact CA-O 3.4Å
549	F	93.3	Very high	75.2	Confident	6 Å²	6	41 Å²	41	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.3	169.8	69.6	-80.2	0	0	0	111.9	K551 K565 V568 W601 R603 N609	F549-K551 HydrophobicContact CD2-CG 4.24Å; F549-K551 HydrophobicContact CE2-CD 4.22Å; F549-K551 VanDerWaalsContact CE2-CE 3.45Å; F549-K551 HydrophobicContact CE2-CG 3.75Å; F549-K565 HydrophobicContact CD2-CD 4.18Å; F549-K565 HydrophobicContact CD2-CG 3.77Å; F549-K565 HydrophobicContact CE2-CD 4.19Å; F549-K565 HydrophobicContact CE2-CG 4.08Å; F549-V568 HydrophobicContact CB-CB 4.46Å; F549-V568 HydrophobicContact CB-CG2 4Å; F549-V568 HydrophobicContact CD1-CG2 4.21Å; F549-V568 HydrophobicContact CG-CG2 4.2Å; F549-W601 HydrophobicContact CD1-CB 4.09Å; F549-W601 WeakPolarHBondContact CD1-O 3.42Å; F549-W601 HydrophobicContact CE1-CB 3.62Å; F549-W601 HydrophobicContact CE2-CB 4.24Å; F549-W601 HydrophobicContact CZ-CB 3.71Å; F549-W601 HydrophobicContact CZ-CG 4.28Å; F549-W601 PolarHBondContact N-O 3.05Å; F549-W601 PolarHBondContact O-N 2.68Å; F549-R603 HydrophobicContact CD1-CB 4.08Å; F549-R603 HydrophobicContact CE1-CB 3.93Å; F549-N609 HydrophobicContact CE1-CB 4.39Å; F549-N609 HydrophobicContact CZ-CB 4.44Å
550	V	94.1	Very high	74.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.8	179.3	-167.9	0	0	0	0	110.7	L498 I531 K565 T566 Y577 L598 T599 V600	L498-V550 HydrophobicContact CD1-CG2 4.16Å; I531-V550 HydrophobicContact CG2-CB 4.4Å; I531-V550 HydrophobicContact CG2-CG2 3.93Å; V550-K565 CarbonylContact O-C 3.54Å; V550-K565 VanDerWaalsContact O-CA 3.28Å; V550-K565 WeakPolarHBondContact O-CA 3.44Å; V550-T566 HydrophobicContact CB-CG2 3.93Å; V550-T566 HydrophobicContact CG2-CG2 4.34Å; V550-T566 PolarHBondContact N-OG1 3.46Å; V550-T566 PolarHBondContact O-N 2.79Å; V550-Y577 HydrophobicContact CG2-CD2 3.9Å; V550-Y577 HydrophobicContact CG2-CE1 4.34Å; V550-Y577 HydrophobicContact CG2-CE2 3.44Å; V550-Y577 VanDerWaalsContact CG2-CE2 3.44Å; V550-Y577 HydrophobicContact CG2-CG 4.47Å; V550-L598 HydrophobicContact CG1-CB 4.44Å; V550-T599 CarbonylContact C-O 3.5Å; V550-T599 WeakPolarHBondContact CA-O 3.23Å; V550-V600 HydrophobicContact CG2-CG2 4.21Å
551	K	92.4	Very high	74.6	Confident	7 Å²	7	44.9 Å²	44.9	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.5	166.4	-54.5	176.4	-163.5	170.6	0	109.2	D313 F549 Y553 R564 T599 W601	D313-K551 IonicContact OD1-NZ 2.71Å; D313-K551 IonicContact OD2-NZ 3.19Å; D313-K551 PolarHBondContact OD2-NZ 2.98Å; F549-K551 HydrophobicContact CD2-CG 4.24Å; F549-K551 HydrophobicContact CE2-CD 4.22Å; F549-K551 VanDerWaalsContact CE2-CE 3.45Å; F549-K551 HydrophobicContact CE2-CG 3.75Å; K551-Y553 HydrophobicContact CB-CE2 4.12Å; K551-R564 CarbonylContact C-O 3.3Å; K551-R564 WeakPolarHBondContact CA-O 3.39Å; K551-T599 PolarHBondContact N-O 2.68Å; K551-T599 PolarHBondContact O-N 3.39Å; K551-T599 PolarHBondContact O-OG1 2.95Å; K551-W601 HydrophobicContact CD-CG 4.46Å
552	G	91.1	Very high	75.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.2	174.8	0	0	0	0	0	112.8	R564 Y583 E597	G552-R564 PolarHBondContact N-O 3.41Å; G552-R564 PolarHBondContact O-N 3.46Å; G552-Y583 VanDerWaalsContact C-OH 3.27Å; G552-Y583 PolarHBondContact O-OH 2.84Å; G552-E597 WeakPolarHBondContact CA-O 3.25Å
553	Y	88.6	Confident	76.9	Confident	51 Å²	51	40.9 Å²	40.9	20%	0.2	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.1	175.2	-63.7	-84.6	0	0	0	110.5	K551 K563 E597	K551-Y553 HydrophobicContact CB-CE2 4.12Å; Y553-K563 HydrophobicContact CD1-CB 4.42Å; Y553-K563 HydrophobicContact CE1-CB 3.95Å; Y553-K563 HydrophobicContact CE1-CD 4.34Å; Y553-K563 HydrophobicContact CE1-CG 3.75Å; Y553-E597 PolarHBondContact N-O 2.99Å; Y553-E597 PolarHBondContact O-N 3.24Å
554	L	87	Confident	78.7	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.6	170.7	-170.8	62.4	0	0	0	109	L527 M557 Y583 V586 M594 L596 W642	L527-L554 HydrophobicContact CD2-CD1 4.28Å; L554-M557 CarbonylContact O-C 3.55Å; L554-M557 WeakPolarHBondContact O-CA 3.43Å; L554-M557 WeakPolarHBondContact O-CB 3.5Å; L554-M557 PolarHBondContact O-N 3.4Å; L554-Y583 HydrophobicContact CB-CD1 3.79Å; L554-Y583 HydrophobicContact CB-CE1 3.71Å; L554-Y583 HydrophobicContact CD2-CD1 4Å; L554-Y583 HydrophobicContact CD2-CG 4.33Å; L554-V586 HydrophobicContact CD2-CG2 3.81Å; L554-M594 HydrophobicContact CD1-CB 4.17Å; L554-M594 HydrophobicContact CD1-SD 4.26Å; L554-M594 HydrophobicContact CD2-CE 4.48Å; L554-M594 HydrophobicContact CD2-SD 3.85Å; L554-M594 HydrophobicContact CG-SD 4.08Å; L554-L596 HydrophobicContact CD1-CB 4.4Å; L554-W642 HydrophobicContact CD1-CH2 4.42Å
555	L	83.3	Confident	80.1	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143.2	178.1	-53.1	-177.9	0	0	0	109.5	R558 M594 C595 E597 W631	L555-R558 HydrophobicContact CD2-CG 3.4Å; L555-R558 VanDerWaalsContact CD2-NE 3.32Å; L555-M594 WeakPolarHBondContact O-CA 3.25Å; L555-M594 WeakPolarHBondContact O-CB 3.19Å; L555-C595 WeakPolarHBondContact CA-O 3.46Å; L555-C595 HydrophobicContact CB-CB 4.44Å; L555-C595 WeakPolarHBondContact CB-O 3.47Å; L555-C595 PolarHBondContact N-O 3.44Å; L555-C595 PolarHBondContact O-N 3.16Å; L555-E597 HydrophobicContact CD1-CB 3.87Å; L555-E597 HydrophobicContact CG-CB 4.14Å; L555-W631 HydrophobicContact CB-CD2 4.16Å; L555-W631 HydrophobicContact CB-CE3 3.98Å; L555-W631 HydrophobicContact CB-CZ3 4.32Å; L555-W631 HydrophobicContact CD1-CB 3.55Å; L555-W631 HydrophobicContact CD1-CD2 4.2Å; L555-W631 HydrophobicContact CD1-CE3 4.41Å; L555-W631 HydrophobicContact CD1-CG 3.86Å
556	P	72.1	Confident	81	Confident	77 Å²	77	42 Å²	42	50%	0.5	21%	0.207	S	C	.	.	S	Bend	cis	-81.3	-2.8	8.9	32	-36.7	0	0	0	115.6	R558 W631	P556-R558 VanDerWaalsContact C-N 3.29Å; P556-R558 PolarHBondContact O-N 2.94Å; P556-W631 HydrophobicContact CB-CH2 4.29Å; P556-W631 HydrophobicContact CB-CZ2 4.04Å
557	M	70.4	Confident	81.6	Confident	92 Å²	92	45.3 Å²	45.3	45%	0.453	23%	0.228	S	C	.	.			trans	-72.5	66.4	-172.7	-59.8	178.9	71.5	0	0	114.1	L554 N559 S562 M594	L554-M557 CarbonylContact O-C 3.55Å; L554-M557 WeakPolarHBondContact O-CA 3.43Å; L554-M557 WeakPolarHBondContact O-CB 3.5Å; L554-M557 PolarHBondContact O-N 3.4Å; M557-N559 PolarHBondContact O-N 3.4Å; M557-S562 WeakPolarHBondContact O-CB 3.43Å; M557-S562 PolarHBondContact O-OG 2.83Å; M557-M594 HydrophobicContact SD-CE 4.1Å
558	R	63.5	Low	81.8	Confident	121 Å²	121	45.4 Å²	45.4	46%	0.457	23%	0.23	S	C	.	.			trans	-72	31.8	178.6	-73	-178.5	154.6	155.2	-0.6	115.1	L555 P556 E597	L555-R558 HydrophobicContact CD2-CG 3.4Å; L555-R558 VanDerWaalsContact CD2-NE 3.32Å; P556-R558 VanDerWaalsContact C-N 3.29Å; P556-R558 PolarHBondContact O-N 2.94Å; R558-E597 IonicContact NH2-OE1 2.7Å; R558-E597 PolarHBondContact NH2-OE1 2.8Å; R558-E597 IonicContact NH2-OE2 3.28Å
559	N	63.9	Low	81.7	Confident	77 Å²	77	48.3 Å²	48.3	41%	0.412	24%	0.244	S	C	.	.	S	Bend	trans	-82.5	166.4	175.7	68.9	22.5	0	0	0	111.8	M557 A561 S562	M557-N559 PolarHBondContact O-N 3.4Å; N559-A561 PolarHBondContact O-N 3.4Å; N559-A561 PolarHBondContact OD1-N 2.98Å; N559-S562 PolarHBondContact O-OG 3.21Å; N559-S562 PolarHBondContact OD1-N 2.82Å
560	K	58.5	Low	81.4	Confident	99 Å²	99	55.5 Å²	55.5	43%	0.43	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-61.3	-34.5	176.4	-70.1	-157.9	-172.9	-148.9	0	112.3	E310 D311 S562 K563	E310-K560 IonicContact OE1-NZ 3.53Å; E310-K560 PolarHBondContact OE1-NZ 3.11Å; E310-K560 IonicContact OE2-NZ 2.72Å; E310-K560 PolarHBondContact OE2-NZ 3.28Å; D311-K560 WeakPolarHBondContact OD2-CD 3.44Å; D311-K560 WeakPolarHBondContact OD2-CE 3.4Å; D311-K560 IonicContact OD2-NZ 3.86Å; D311-K560 PolarHBondContact OD2-NZ 3.24Å; K560-S562 VanDerWaalsContact C-N 3.32Å; K560-S562 PolarHBondContact O-N 3.14Å; K560-K563 WeakPolarHBondContact O-CB 3.14Å; K560-K563 PolarHBondContact O-N 3Å; K560-K563 VanDerWaalsContact O-N 3.14Å
561	A	61.8	Low	80.8	Confident	72 Å²	72	63.2 Å²	63.2	60%	0.595	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-68.6	-22.5	-173.9	0	0	0	0	0	114.6	N559 R564	N559-A561 PolarHBondContact O-N 3.4Å; N559-A561 PolarHBondContact OD1-N 2.98Å; A561-R564 PolarHBondContact O-NH1 3.02Å
562	S	70.5	Confident	80.3	Confident	9 Å²	9	64.9 Å²	64.9	6%	0.063	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-88.2	-11.9	173.3	75.9	0	0	0	0	113.7	M557 N559 K560 R564 Y583	M557-S562 WeakPolarHBondContact O-CB 3.43Å; M557-S562 PolarHBondContact O-OG 2.83Å; N559-S562 PolarHBondContact O-OG 3.21Å; N559-S562 PolarHBondContact OD1-N 2.82Å; K560-S562 VanDerWaalsContact C-N 3.32Å; K560-S562 PolarHBondContact O-N 3.14Å; S562-R564 PolarHBondContact O-N 2.97Å; S562-Y583 WeakPolarHBondContact O-CE1 3.22Å
563	K	83.8	Confident	79.9	Confident	59 Å²	59	67 Å²	67	26%	0.257	33%	0.331	S	S	.	.			trans	-63.5	130.3	176.6	-170	-177.6	179.8	-167.7	0	109	D311 Y553 K560	D311-K563 IonicContact OD1-NZ 2.75Å; D311-K563 PolarHBondContact OD1-NZ 3.39Å; Y553-K563 HydrophobicContact CD1-CB 4.42Å; Y553-K563 HydrophobicContact CE1-CB 3.95Å; Y553-K563 HydrophobicContact CE1-CD 4.34Å; Y553-K563 HydrophobicContact CE1-CG 3.75Å; K560-K563 WeakPolarHBondContact O-CB 3.14Å; K560-K563 PolarHBondContact O-N 3Å; K560-K563 VanDerWaalsContact O-N 3.14Å
564	R	87.8	Confident	79.9	Confident	80 Å²	80	68.1 Å²	68.1	30%	0.302	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.2	170.8	-61.2	-73.5	-179.7	-86.3	-3.5	108.7	K551 G552 A561 S562 F581 V582 Y583	K551-R564 CarbonylContact C-O 3.3Å; K551-R564 WeakPolarHBondContact CA-O 3.39Å; G552-R564 PolarHBondContact N-O 3.41Å; G552-R564 PolarHBondContact O-N 3.46Å; A561-R564 PolarHBondContact O-NH1 3.02Å; S562-R564 PolarHBondContact O-N 2.97Å; R564-F581 HydrophobicContact CB-CB 3.83Å; R564-F581 HydrophobicContact CB-CD1 3.5Å; R564-F581 HydrophobicContact CB-CD2 3.69Å; R564-F581 HydrophobicContact CB-CE1 3.86Å; R564-F581 HydrophobicContact CB-CE2 4.05Å; R564-F581 HydrophobicContact CB-CG 3.4Å; R564-F581 HydrophobicContact CB-CZ 4.11Å; R564-F581 HydrophobicContact CG-CB 3.9Å; R564-F581 HydrophobicContact CG-CD1 4.39Å; R564-F581 HydrophobicContact CG-CG 4.07Å; R564-V582 PolarHBondContact NE-O 3.15Å; R564-V582 PolarHBondContact NH2-O 3.1Å; R564-Y583 HydrophobicContact CG-CE1 4.12Å; R564-Y583 HydrophobicContact CG-CE2 4.19Å
565	K	91.8	Very high	80	Confident	95 Å²	95	68 Å²	68	41%	0.413	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	134.4	-172.8	-174.6	-159.5	161.8	-166	0	109.9	F549 V550	F549-K565 HydrophobicContact CD2-CD 4.18Å; F549-K565 HydrophobicContact CD2-CG 3.77Å; F549-K565 HydrophobicContact CE2-CD 4.19Å; F549-K565 HydrophobicContact CE2-CG 4.08Å; V550-K565 CarbonylContact O-C 3.54Å; V550-K565 VanDerWaalsContact O-CA 3.28Å; V550-K565 WeakPolarHBondContact O-CA 3.44Å
566	T	92.9	Very high	80.4	Confident	4 Å²	4	73 Å²	73	3%	0.025	36%	0.363	C	S	.	.			trans	-77.1	163.7	174.1	65.6	0	0	0	0	111.8	I531 V550 Y577 H579 F581	I531-T566 HydrophobicContact CB-CG2 4.31Å; I531-T566 HydrophobicContact CG1-CG2 4.41Å; I531-T566 HydrophobicContact CG2-CG2 4.26Å; V550-T566 HydrophobicContact CB-CG2 3.93Å; V550-T566 HydrophobicContact CG2-CG2 4.34Å; V550-T566 PolarHBondContact N-OG1 3.46Å; V550-T566 PolarHBondContact O-N 2.79Å; T566-Y577 HydrophobicContact CG2-CD1 4.41Å; T566-Y577 HydrophobicContact CG2-CG 4.3Å; T566-H579 HydrophobicContact CG2-CB 4.21Å; T566-F581 HydrophobicContact CG2-CE1 3.83Å; T566-F581 HydrophobicContact CG2-CZ 3.8Å
567	P	91.5	Very high	81.4	Confident	70 Å²	70	69.8 Å²	69.8	46%	0.455	34%	0.341	S	S	.	.			trans	-52.2	161.7	154.7	-25.3	35.8	0	0	0	112.4	M569	P567-M569 HydrophobicContact CB-CE 4.48Å
568	V	90.3	Very high	82.5	Confident	30 Å²	30	70.3 Å²	70.3	18%	0.182	35%	0.345	C	S	.	.			trans	-99.4	111.7	-176.3	-177.1	0	0	0	0	109.9	D547 S548 F549 R603	D547-V568 HydrophobicContact CB-CG1 4.33Å; D547-V568 WeakPolarHBondContact O-CG1 3.45Å; S548-V568 CarbonylContact O-C 3.57Å; S548-V568 WeakPolarHBondContact O-CA 3.29Å; F549-V568 HydrophobicContact CB-CB 4.46Å; F549-V568 HydrophobicContact CB-CG2 4Å; F549-V568 HydrophobicContact CD1-CG2 4.21Å; F549-V568 HydrophobicContact CG-CG2 4.2Å; V568-R603 HydrophobicContact CG1-CB 3.91Å
569	M	87.8	Confident	83.9	Confident	61 Å²	61	67.6 Å²	67.6	30%	0.3	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-89.5	109.8	-179.3	-65.5	-53.1	176.3	0	0	110.2	D547 S548 P567 T572 P575 H576 Y577	D547-M569 CarbonylContact C-O 3.49Å; D547-M569 WeakPolarHBondContact CA-O 3.29Å; S548-M569 PolarHBondContact N-O 3.31Å; S548-M569 PolarHBondContact O-N 3.46Å; P567-M569 HydrophobicContact CB-CE 4.48Å; M569-T572 HydrophobicContact CB-CG2 4.32Å; M569-P575 HydrophobicContact CB-CB 3.71Å; M569-P575 HydrophobicContact CG-CB 4.22Å; M569-H576 VanDerWaalsContact CE-O 3.29Å; M569-H576 WeakPolarHBondContact CE-O 3.48Å; M569-Y577 HydrophobicContact CB-CD1 4.44Å; M569-Y577 HydrophobicContact CB-CE1 4.2Å; M569-Y577 HydrophobicContact CG-CD1 3.73Å; M569-Y577 HydrophobicContact CG-CE1 3.99Å
570	K	86.6	Confident	85.4	Confident	156 Å²	156	66.6 Å²	66.6	68%	0.678	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	146.9	-168.4	-65.8	175.2	-174.6	167.8	0	113.1	D547 T572	D547-K570 HydrophobicContact CB-CG 4.47Å; D547-K570 WeakPolarHBondContact OD1-CA 3.24Å; D547-K570 VanDerWaalsContact OD1-CB 3.29Å; D547-K570 WeakPolarHBondContact OD1-CB 3.43Å; K570-T572 VanDerWaalsContact C-N 3.33Å; K570-T572 PolarHBondContact O-N 3.29Å
571	K	81.6	Confident	87.1	Confident	162 Å²	162	62 Å²	62	70%	0.704	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.6	171.3	-57.2	-179.3	179.6	178.9	0	115.9	T545 S546 D547	T545-K571 WeakPolarHBondContact CG2-O 3.46Å; S546-K571 CarbonylContact O-C 3.43Å; S546-K571 WeakPolarHBondContact O-CA 3.14Å; S546-K571 PolarHBondContact O-N 3.21Å; D547-K571 PolarHBondContact OD1-N 3.36Å
572	T	81.2	Confident	88.5	Confident	42 Å²	42	60.8 Å²	60.8	26%	0.258	30%	0.299	S	S	.	.			trans	-138.4	146.5	178.9	-177.8	0	0	0	0	112.6	S546 M569 K570 N574 P575	S546-T572 PolarHBondContact O-N 3.05Å; S546-T572 VanDerWaalsContact O-O 3.13Å; M569-T572 HydrophobicContact CB-CG2 4.32Å; K570-T572 VanDerWaalsContact C-N 3.33Å; K570-T572 PolarHBondContact O-N 3.29Å; T572-N574 VanDerWaalsContact OG1-C 3.27Å; T572-N574 PolarHBondContact OG1-N 3.4Å; T572-N574 PolarHBondContact OG1-O 2.81Å; T572-N574 VanDerWaalsContact OG1-O 3.07Å; T572-P575 HydrophobicContact CG2-CB 3.82Å
573	L	83.4	Confident	89.4	Confident	46 Å²	46	60.7 Å²	60.7	24%	0.241	30%	0.298	C	S	.	.	S	Bend	trans	-97.3	-8.5	169.3	-52.3	-176.1	0	0	0	112.5	N536 L537 A539 P575	N536-L573 PolarHBondContact N-O 3.34Å; L537-L573 HydrophobicContact CB-CB 4.46Å; L537-L573 WeakPolarHBondContact CB-O 3.34Å; L537-L573 WeakPolarHBondContact CG-O 3.46Å; L537-L573 PolarHBondContact N-O 3.19Å; A539-L573 HydrophobicContact CB-CD1 4.04Å; A539-L573 HydrophobicContact CB-CD2 3.82Å; L573-P575 VanDerWaalsContact C-CD 3.42Å; L573-P575 WeakPolarHBondContact O-CD 3.3Å
574	N	88.1	Confident	89.6	Confident	73 Å²	73	63.5 Å²	63.5	39%	0.39	32%	0.316	S	S	.	.	S	Bend	trans	-124.1	73.6	174.6	-60.6	-59.1	0	0	0	108.7	A534 K535 N536 T572	A534-N574 CarbonylContact O-C 3.55Å; A534-N574 WeakPolarHBondContact O-CA 3.49Å; K535-N574 VanDerWaalsContact CA-OD1 3.27Å; K535-N574 WeakPolarHBondContact CA-OD1 3.48Å; N536-N574 PolarHBondContact N-OD1 3.07Å; T572-N574 VanDerWaalsContact OG1-C 3.27Å; T572-N574 PolarHBondContact OG1-N 3.4Å; T572-N574 PolarHBondContact OG1-O 2.81Å; T572-N574 VanDerWaalsContact OG1-O 3.07Å
575	P	89.5	Confident	89.3	Confident	1 Å²	1	62 Å²	62	1%	0.006	32%	0.324	C	S	.	.			trans	-78.1	127.5	179.4	31.5	-37.4	0	0	0	111.7	E533 A534 L537 S548 M569 T572 L573 Y577	E533-P575 CarbonylContact C-O 3.51Å; E533-P575 WeakPolarHBondContact CA-O 3.32Å; E533-P575 WeakPolarHBondContact CB-O 3.42Å; A534-P575 HydrophobicContact CB-CG 3.82Å; A534-P575 PolarHBondContact N-O 3.14Å; A534-P575 VanDerWaalsContact O-CD 3.32Å; A534-P575 WeakPolarHBondContact O-CD 3.35Å; L537-P575 HydrophobicContact CD1-CG 3.69Å; S548-P575 WeakPolarHBondContact OG-CB 3.35Å; S548-P575 VanDerWaalsContact OG-CG 3.29Å; S548-P575 WeakPolarHBondContact OG-CG 3.22Å; M569-P575 HydrophobicContact CB-CB 3.71Å; M569-P575 HydrophobicContact CG-CB 4.22Å; T572-P575 HydrophobicContact CG2-CB 3.82Å; L573-P575 VanDerWaalsContact C-CD 3.42Å; L573-P575 WeakPolarHBondContact O-CD 3.3Å; P575-Y577 HydrophobicContact CB-CD1 4.42Å; P575-Y577 HydrophobicContact CB-CE1 3.81Å; P575-Y577 HydrophobicContact CB-CE2 4.13Å; P575-Y577 HydrophobicContact CG-CE1 4.12Å; P575-Y577 HydrophobicContact CG-CE2 3.72Å; P575-Y577 VanDerWaalsContact CG-CZ 3.44Å; P575-Y577 VanDerWaalsContact CG-OH 3.24Å; P575-Y577 WeakPolarHBondContact CG-OH 3.25Å
576	H	92.4	Very high	89	Confident	107 Å²	107	57.7 Å²	57.7	50%	0.495	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.2	161.5	-50.3	-80	0	0	0	108.1	K532 E533 M569	K532-H576 CarbonylContact O-C 3.52Å; E533-H576 IonicContact OE2-CE1 3.21Å; E533-H576 PolarHBondContact OE2-CE1 3.38Å; E533-H576 IonicContact OE2-ND1 2.79Å; E533-H576 PolarHBondContact OE2-ND1 3.46Å; M569-H576 VanDerWaalsContact CE-O 3.29Å; M569-H576 WeakPolarHBondContact CE-O 3.48Å
577	Y	93	Very high	88.6	Confident	9 Å²	9	63.1 Å²	63.1	4%	0.035	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-36.7	179.5	-59	-68.2	0	0	0	112.4	L498 I531 K532 A534 S548 V550 T566 M569 P575 H579	L498-Y577 HydrophobicContact CD1-CE2 4.38Å; I531-Y577 HydrophobicContact CG2-CD2 3.68Å; I531-Y577 HydrophobicContact CG2-CE2 4.48Å; I531-Y577 HydrophobicContact CG2-CG 4.17Å; K532-Y577 PolarHBondContact O-N 3Å; A534-Y577 HydrophobicContact CB-CE2 4.03Å; S548-Y577 VanDerWaalsContact CB-OH 3.29Å; S548-Y577 WeakPolarHBondContact CB-OH 3.21Å; S548-Y577 PolarHBondContact OG-OH 2.67Å; V550-Y577 HydrophobicContact CG2-CD2 3.9Å; V550-Y577 HydrophobicContact CG2-CE1 4.34Å; V550-Y577 HydrophobicContact CG2-CE2 3.44Å; V550-Y577 VanDerWaalsContact CG2-CE2 3.44Å; V550-Y577 HydrophobicContact CG2-CG 4.47Å; T566-Y577 HydrophobicContact CG2-CD1 4.41Å; T566-Y577 HydrophobicContact CG2-CG 4.3Å; M569-Y577 HydrophobicContact CB-CD1 4.44Å; M569-Y577 HydrophobicContact CB-CE1 4.2Å; M569-Y577 HydrophobicContact CG-CD1 3.73Å; M569-Y577 HydrophobicContact CG-CE1 3.99Å; P575-Y577 HydrophobicContact CB-CD1 4.42Å; P575-Y577 HydrophobicContact CB-CE1 3.81Å; P575-Y577 HydrophobicContact CB-CE2 4.13Å; P575-Y577 HydrophobicContact CG-CE1 4.12Å; P575-Y577 HydrophobicContact CG-CE2 3.72Å; P575-Y577 VanDerWaalsContact CG-CZ 3.44Å; P575-Y577 VanDerWaalsContact CG-OH 3.24Å; P575-Y577 WeakPolarHBondContact CG-OH 3.25Å; Y577-H579 WeakPolarHBondContact O-CB 3.3Å; Y577-H579 PolarHBondContact O-N 2.87Å; Y577-H579 VanDerWaalsContact O-N 3.09Å
578	N	92.9	Very high	88.2	Confident	103 Å²	103	63.3 Å²	63.3	55%	0.551	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	43.4	40.2	-179.5	-68.8	-33.7	0	0	0	114.8	I531 K532	I531-N578 WeakPolarHBondContact O-CA 3.47Å; I531-N578 PolarHBondContact O-N 2.93Å; K532-N578 PolarHBondContact O-N 2.96Å; K532-N578 PolarHBondContact O-OD1 2.74Å
579	H	93.2	Very high	87.8	Confident	65 Å²	65	68.2 Å²	68.2	30%	0.301	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.8	-168.2	179.9	93.3	0	0	0	111.6	I531 T566 Y577 F581	I531-H579 WeakPolarHBondContact CB-O 3.35Å; I531-H579 PolarHBondContact N-O 3.49Å; I531-H579 PolarHBondContact O-N 2.62Å; T566-H579 HydrophobicContact CG2-CB 4.21Å; Y577-H579 WeakPolarHBondContact O-CB 3.3Å; Y577-H579 PolarHBondContact O-N 2.87Å; Y577-H579 VanDerWaalsContact O-N 3.09Å; H579-F581 AromaticContact CD2-CD1 3.53Å; H579-F581 AromaticContact CD2-CE1 3.46Å; H579-F581 VanDerWaalsContact CD2-CE1 3.46Å; H579-F581 WeakPolarHBondContact CD2-CE1 3.42Å; H579-F581 AromaticContact NE2-CD1 3.75Å; H579-F581 AromaticContact NE2-CE1 3.79Å
580	T	94	Very high	87.6	Confident	56 Å²	56	67.1 Å²	67.1	34%	0.344	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.7	-172.8	-55.7	0	0	0	0	111.8	Q528 V529 V582 W652	Q528-T580 HydrophobicContact CB-CG2 4.31Å; V529-T580 CarbonylContact O-C 3.58Å; V529-T580 WeakPolarHBondContact O-CA 3.35Å; T580-V582 HydrophobicContact CG2-CG2 4.31Å; T580-W652 HydrophobicContact CG2-CH2 4.35Å
581	F	94.8	Very high	87.5	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.5	168.6	-58.3	-20.5	0	0	0	110	V529 I531 R564 T566 H579 Y583 L598	V529-F581 HydrophobicContact CB-CB 4.2Å; V529-F581 PolarHBondContact N-O 2.97Å; V529-F581 PolarHBondContact O-N 2.68Å; I531-F581 HydrophobicContact CD1-CD2 4.33Å; I531-F581 HydrophobicContact CD1-CE2 4.18Å; I531-F581 HydrophobicContact CG1-CD2 4.13Å; I531-F581 HydrophobicContact CG1-CE1 4.49Å; I531-F581 HydrophobicContact CG1-CE2 3.9Å; I531-F581 HydrophobicContact CG1-CZ 4.11Å; R564-F581 HydrophobicContact CB-CB 3.83Å; R564-F581 HydrophobicContact CB-CD1 3.5Å; R564-F581 HydrophobicContact CB-CD2 3.69Å; R564-F581 HydrophobicContact CB-CE1 3.86Å; R564-F581 HydrophobicContact CB-CE2 4.05Å; R564-F581 HydrophobicContact CB-CG 3.4Å; R564-F581 HydrophobicContact CB-CZ 4.11Å; R564-F581 HydrophobicContact CG-CB 3.9Å; R564-F581 HydrophobicContact CG-CD1 4.39Å; R564-F581 HydrophobicContact CG-CG 4.07Å; T566-F581 HydrophobicContact CG2-CE1 3.83Å; T566-F581 HydrophobicContact CG2-CZ 3.8Å; H579-F581 AromaticContact CD2-CD1 3.53Å; H579-F581 AromaticContact CD2-CE1 3.46Å; H579-F581 VanDerWaalsContact CD2-CE1 3.46Å; H579-F581 WeakPolarHBondContact CD2-CE1 3.42Å; H579-F581 AromaticContact NE2-CD1 3.75Å; H579-F581 AromaticContact NE2-CE1 3.79Å; F581-Y583 HydrophobicContact CB-CD2 4.45Å; F581-Y583 HydrophobicContact CB-CE2 3.73Å; F581-L598 HydrophobicContact CD2-CD2 4.3Å; F581-L598 HydrophobicContact CE2-CD2 4.15Å
582	V	91.6	Very high	87.6	Confident	46 Å²	46	56.6 Å²	56.6	28%	0.279	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.3	-179.8	176.2	0	0	0	0	110.8	E526 R564 T580 N584	E526-V582 HydrophobicContact CG-CG1 3.81Å; E526-V582 VanDerWaalsContact OE1-CG1 3.27Å; E526-V582 WeakPolarHBondContact OE1-CG1 3.37Å; R564-V582 PolarHBondContact NE-O 3.15Å; R564-V582 PolarHBondContact NH2-O 3.1Å; T580-V582 HydrophobicContact CG2-CG2 4.31Å; V582-N584 VanDerWaalsContact CG1-OD1 3.23Å; V582-N584 WeakPolarHBondContact CG1-OD1 3.45Å
583	Y	89.1	Confident	87.6	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	101.2	-178.6	-65	-91.8	0	0	0	110.3	E526 L527 V529 G552 L554 S562 R564 F581 L596	E526-Y583 WeakPolarHBondContact CA-O 3.25Å; L527-Y583 PolarHBondContact N-O 3.29Å; L527-Y583 PolarHBondContact O-N 3.11Å; V529-Y583 HydrophobicContact CG2-CD2 4.25Å; V529-Y583 HydrophobicContact CG2-CE2 4.14Å; G552-Y583 VanDerWaalsContact C-OH 3.27Å; G552-Y583 PolarHBondContact O-OH 2.84Å; L554-Y583 HydrophobicContact CB-CD1 3.79Å; L554-Y583 HydrophobicContact CB-CE1 3.71Å; L554-Y583 HydrophobicContact CD2-CD1 4Å; L554-Y583 HydrophobicContact CD2-CG 4.33Å; S562-Y583 WeakPolarHBondContact O-CE1 3.22Å; R564-Y583 HydrophobicContact CG-CE1 4.12Å; R564-Y583 HydrophobicContact CG-CE2 4.19Å; F581-Y583 HydrophobicContact CB-CD2 4.45Å; F581-Y583 HydrophobicContact CB-CE2 3.73Å; Y583-L596 HydrophobicContact CE2-CD1 4.05Å
584	N	87.6	Confident	87.8	Confident	119 Å²	119	57.2 Å²	57.2	64%	0.636	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	152.5	-177.9	-61.4	-16	0	0	0	111.9	E526 V582	E526-N584 WeakPolarHBondContact CG-OD1 3.17Å; V582-N584 VanDerWaalsContact CG1-OD1 3.23Å; V582-N584 WeakPolarHBondContact CG1-OD1 3.45Å
585	G	82.8	Confident	87.8	Confident	47 Å²	47	53.8 Å²	53.8	49%	0.485	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.7	19.2	174.5	0	0	0	0	0	114.5	G525	G525-G585 PolarHBondContact O-N 3.26Å
586	V	84.7	Confident	87.8	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.4	-177.8	-177.8	0	0	0	0	109.7	Y504 G525 L554 L591 M594	Y504-V586 WeakPolarHBondContact CE2-O 3.43Å; Y504-V586 PolarHBondContact OH-O 3.05Å; G525-V586 CarbonylContact C-O 3.57Å; G525-V586 VanDerWaalsContact CA-O 3.27Å; G525-V586 WeakPolarHBondContact CA-O 3.46Å; G525-V586 PolarHBondContact N-O 3.31Å; G525-V586 PolarHBondContact O-N 2.92Å; L554-V586 HydrophobicContact CD2-CG2 3.81Å; V586-L591 HydrophobicContact CG1-CD2 3.61Å; V586-L591 HydrophobicContact CG1-CG 3.88Å; V586-M594 HydrophobicContact CG1-SD 3.88Å
587	R	84.8	Confident	87.8	Confident	118 Å²	118	49.4 Å²	49.4	45%	0.445	26%	0.255	S	S	.	.			trans	-97.1	155.9	175.7	-48.1	174.6	-62.8	147.2	8.6	110.8	E589 D590 L591	R587-E589 IonicContact NH1-OE2 2.67Å; R587-E589 PolarHBondContact O-N 2.86Å; R587-D590 WeakPolarHBondContact CB-OD2 3.5Å; R587-D590 WeakPolarHBondContact CG-OD2 3.32Å; R587-D590 IonicContact CZ-OD1 2.74Å; R587-D590 IonicContact CZ-OD2 3.55Å; R587-D590 PolarHBondContact N-OD2 3.13Å; R587-D590 IonicContact NE-OD1 2.76Å; R587-D590 IonicContact NE-OD2 2.88Å; R587-D590 PolarHBondContact NE-OD2 3.44Å; R587-D590 IonicContact NH2-OD1 2.98Å; R587-D590 PolarHBondContact NH2-OD1 3Å; R587-D590 IonicContact NH2-OD2 3.57Å; R587-D590 WeakPolarHBondContact O-CB 3.48Å; R587-D590 PolarHBondContact O-N 3.21Å; R587-D590 VanDerWaalsContact O-N 3.08Å; R587-L591 PolarHBondContact O-N 2.64Å
588	L	82.1	Confident	87.8	Confident	75 Å²	75	49 Å²	49	39%	0.393	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.5	-177.5	-177	58.6	0	0	0	113	Y504 L591	Y504-L588 HydrophobicContact CD1-CD1 4.12Å; Y504-L588 HydrophobicContact CE1-CB 3.96Å; Y504-L588 HydrophobicContact CE1-CD1 3.94Å; Y504-L588 HydrophobicContact CE1-CG 4.44Å; Y504-L588 PolarHBondContact OH-N 2.98Å; L588-L591 HydrophobicContact CD1-CD1 4.2Å
589	E	81.9	Confident	87.7	Confident	132 Å²	132	44.5 Å²	44.5	62%	0.617	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-47.2	171	-68.1	156.5	-146	0	0	111.3	R587 L591 Q592	R587-E589 IonicContact NH1-OE2 2.67Å; R587-E589 PolarHBondContact O-N 2.86Å; E589-L591 PolarHBondContact O-N 3.22Å; E589-Q592 VanDerWaalsContact O-CB 3.25Å; E589-Q592 WeakPolarHBondContact O-CB 3.44Å; E589-Q592 PolarHBondContact O-N 3.29Å
590	D	83.6	Confident	87.7	Confident	38 Å²	38	41.4 Å²	41.4	20%	0.203	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.9	-30.7	-177.9	-57.8	-41.5	0	0	0	112	R587 Q592 H593 M594	R587-D590 WeakPolarHBondContact CB-OD2 3.5Å; R587-D590 WeakPolarHBondContact CG-OD2 3.32Å; R587-D590 IonicContact CZ-OD1 2.74Å; R587-D590 IonicContact CZ-OD2 3.55Å; R587-D590 PolarHBondContact N-OD2 3.13Å; R587-D590 IonicContact NE-OD1 2.76Å; R587-D590 IonicContact NE-OD2 2.88Å; R587-D590 PolarHBondContact NE-OD2 3.44Å; R587-D590 IonicContact NH2-OD1 2.98Å; R587-D590 PolarHBondContact NH2-OD1 3Å; R587-D590 IonicContact NH2-OD2 3.57Å; R587-D590 WeakPolarHBondContact O-CB 3.48Å; R587-D590 PolarHBondContact O-N 3.21Å; R587-D590 VanDerWaalsContact O-N 3.08Å; D590-Q592 PolarHBondContact O-N 3.4Å; D590-H593 CarbonylContact O-C 3.6Å; D590-H593 PolarHBondContact O-N 3.04Å; D590-M594 HydrophobicContact CB-CE 3.83Å; D590-M594 HydrophobicContact CB-SD 4Å; D590-M594 WeakPolarHBondContact O-CB 3.42Å; D590-M594 WeakPolarHBondContact O-CG 3.48Å; D590-M594 PolarHBondContact O-N 3.24Å
591	L	85	Confident	87.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.3	-10.1	173.7	-66.7	176.2	0	0	0	114.3	Y504 L527 V586 R587 L588 E589 W642 M645 R646	Y504-L591 HydrophobicContact CD1-CD1 4.15Å; Y504-L591 HydrophobicContact CD2-CD1 3.8Å; Y504-L591 HydrophobicContact CE1-CD1 4.45Å; Y504-L591 HydrophobicContact CE2-CD1 4.12Å; Y504-L591 HydrophobicContact CG-CD1 3.81Å; L527-L591 HydrophobicContact CD2-CD2 4.19Å; V586-L591 HydrophobicContact CG1-CD2 3.61Å; V586-L591 HydrophobicContact CG1-CG 3.88Å; R587-L591 PolarHBondContact O-N 2.64Å; L588-L591 HydrophobicContact CD1-CD1 4.2Å; E589-L591 PolarHBondContact O-N 3.22Å; L591-W642 HydrophobicContact CB-CZ2 4.28Å; L591-W642 HydrophobicContact CD2-CH2 3.73Å; L591-W642 HydrophobicContact CD2-CZ2 3.6Å; L591-W642 PolarHBondContact O-NE1 3.45Å; L591-M645 HydrophobicContact CD1-CE 4.5Å; L591-M645 HydrophobicContact CD1-SD 4.1Å; L591-M645 HydrophobicContact CD2-CE 4.49Å; L591-R646 HydrophobicContact CB-CG 4.21Å; L591-R646 HydrophobicContact CD1-CG 4.22Å
592	Q	83.9	Confident	87	Confident	97 Å²	97	41.2 Å²	41.2	45%	0.453	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-80.6	-25.7	169.4	-169.7	151.9	-31.1	0	0	113.2	E589 D590 V619 M632	E589-Q592 VanDerWaalsContact O-CB 3.25Å; E589-Q592 WeakPolarHBondContact O-CB 3.44Å; E589-Q592 PolarHBondContact O-N 3.29Å; D590-Q592 PolarHBondContact O-N 3.4Å; Q592-V619 WeakPolarHBondContact O-CG2 3.26Å; Q592-M632 WeakPolarHBondContact O-CE 3.42Å
593	H	81.6	Confident	86.6	Confident	82 Å²	82	43.1 Å²	43.1	38%	0.38	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-3.9	-174.9	-57.8	-64.7	0	0	0	113.2	D590 W631	D590-H593 CarbonylContact O-C 3.6Å; D590-H593 PolarHBondContact O-N 3.04Å; H593-W631 VanDerWaalsContact O-CH2 3.25Å; H593-W631 WeakPolarHBondContact O-CH2 3.36Å; H593-W631 WeakPolarHBondContact O-CZ3 3.46Å
594	M	86.5	Confident	86	Confident	20 Å²	20	46.1 Å²	46.1	10%	0.099	23%	0.225	C	C	.	.			trans	-95	156.3	174	-72.1	177.1	172.5	0	0	112.9	L554 L555 M557 V586 D590	L554-M594 HydrophobicContact CD1-CB 4.17Å; L554-M594 HydrophobicContact CD1-SD 4.26Å; L554-M594 HydrophobicContact CD2-CE 4.48Å; L554-M594 HydrophobicContact CD2-SD 3.85Å; L554-M594 HydrophobicContact CG-SD 4.08Å; L555-M594 WeakPolarHBondContact O-CA 3.25Å; L555-M594 WeakPolarHBondContact O-CB 3.19Å; M557-M594 HydrophobicContact SD-CE 4.1Å; V586-M594 HydrophobicContact CG1-SD 3.88Å; D590-M594 HydrophobicContact CB-CE 3.83Å; D590-M594 HydrophobicContact CB-SD 4Å; D590-M594 WeakPolarHBondContact O-CB 3.42Å; D590-M594 WeakPolarHBondContact O-CG 3.48Å; D590-M594 PolarHBondContact O-N 3.24Å
595	C	88.8	Confident	84.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.2	168.5	179.5	0	0	0	0	110.2	L555 L617 W631 M632	L555-C595 WeakPolarHBondContact CA-O 3.46Å; L555-C595 HydrophobicContact CB-CB 4.44Å; L555-C595 WeakPolarHBondContact CB-O 3.47Å; L555-C595 PolarHBondContact N-O 3.44Å; L555-C595 PolarHBondContact O-N 3.16Å; C595-L617 CarbonylContact C-O 3.53Å; C595-L617 WeakPolarHBondContact CA-O 3.21Å; C595-L617 PolarHBondContact SG-O 2.63Å; C595-W631 HydrophobicContact CB-CE3 3.63Å; C595-W631 HydrophobicContact CB-CZ3 3.96Å; C595-W631 PolarHBondContact SG-O 2.85Å; C595-M632 HydrophobicContact CB-SD 4.13Å
596	L	90.6	Very high	83.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	110.7	172.1	172.9	70.7	0	0	0	109.7	L502 V529 L554 Y583 L598 L617 W642	L502-L596 HydrophobicContact CD2-CD2 3.88Å; V529-L596 HydrophobicContact CB-CD2 4.35Å; V529-L596 HydrophobicContact CG1-CD2 3.86Å; V529-L596 HydrophobicContact CG2-CD1 4.4Å; V529-L596 HydrophobicContact CG2-CD2 3.54Å; L554-L596 HydrophobicContact CD1-CB 4.4Å; Y583-L596 HydrophobicContact CE2-CD1 4.05Å; L596-L598 HydrophobicContact CD1-CD2 3.93Å; L596-L598 HydrophobicContact CD2-CD1 4.41Å; L596-L598 HydrophobicContact CD2-CD2 4.28Å; L596-L598 HydrophobicContact CD2-CG 4.34Å; L596-L598 HydrophobicContact CG-CD2 3.99Å; L596-L598 HydrophobicContact CG-CG 4.1Å; L596-L617 HydrophobicContact CB-CB 4.17Å; L596-L617 HydrophobicContact CD2-CB 4.49Å; L596-L617 HydrophobicContact CD2-CD1 4.01Å; L596-L617 PolarHBondContact N-O 3.33Å; L596-L617 PolarHBondContact O-N 3.41Å; L596-W642 HydrophobicContact CB-CH2 4.25Å; L596-W642 HydrophobicContact CB-CZ3 3.78Å; L596-W642 HydrophobicContact CD2-CZ3 4.45Å
597	E	91.9	Very high	81.8	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111.7	176.3	177.7	166.9	76.1	0	0	109.1	G552 Y553 L555 R558 T599 R616	G552-E597 WeakPolarHBondContact CA-O 3.25Å; Y553-E597 PolarHBondContact N-O 2.99Å; Y553-E597 PolarHBondContact O-N 3.24Å; L555-E597 HydrophobicContact CD1-CB 3.87Å; L555-E597 HydrophobicContact CG-CB 4.14Å; R558-E597 IonicContact NH2-OE1 2.7Å; R558-E597 PolarHBondContact NH2-OE1 2.8Å; R558-E597 IonicContact NH2-OE2 3.28Å; E597-T599 HydrophobicContact CG-CG2 4.27Å; E597-R616 HydrophobicContact CB-CG 4.3Å; E597-R616 HydrophobicContact CG-CG 4.4Å; E597-R616 IonicContact OE2-CZ 3.71Å; E597-R616 VanDerWaalsContact OE2-CZ 3.24Å; E597-R616 IonicContact OE2-NE 3.42Å; E597-R616 PolarHBondContact OE2-NE 2.84Å; E597-R616 IonicContact OE2-NH2 3.57Å; E597-R616 PolarHBondContact OE2-NH2 3.28Å
598	L	93	Very high	80.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.7	175.6	-58	178.8	0	0	0	109.5	L498 V500 V529 I531 V550 F581 L596 G614 V615 L617	L498-L598 HydrophobicContact CD2-CB 4.24Å; L498-L598 HydrophobicContact CD2-CD1 4.15Å; V500-L598 HydrophobicContact CG1-CD1 4Å; V529-L598 HydrophobicContact CG1-CD1 4.39Å; I531-L598 HydrophobicContact CD1-CD1 3.82Å; I531-L598 HydrophobicContact CD1-CD2 4.18Å; V550-L598 HydrophobicContact CG1-CB 4.44Å; F581-L598 HydrophobicContact CD2-CD2 4.3Å; F581-L598 HydrophobicContact CE2-CD2 4.15Å; L596-L598 HydrophobicContact CD1-CD2 3.93Å; L596-L598 HydrophobicContact CD2-CD1 4.41Å; L596-L598 HydrophobicContact CD2-CD2 4.28Å; L596-L598 HydrophobicContact CD2-CG 4.34Å; L596-L598 HydrophobicContact CG-CD2 3.99Å; L596-L598 HydrophobicContact CG-CG 4.1Å; L598-G614 CarbonylContact O-C 3.47Å; L598-G614 WeakPolarHBondContact O-CA 3.43Å; L598-V615 HydrophobicContact CB-CG2 3.83Å; L598-V615 HydrophobicContact CD1-CG2 4.3Å; L598-V615 HydrophobicContact CG-CG2 4.45Å; L598-V615 PolarHBondContact N-O 2.84Å; L598-V615 PolarHBondContact O-N 2.9Å; L598-L617 HydrophobicContact CD1-CD1 3.95Å
599	T	91.3	Very high	80.4	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131	-176.7	53.4	0	0	0	0	111.5	V550 K551 E597 W601 F611 G613 M663	V550-T599 CarbonylContact C-O 3.5Å; V550-T599 WeakPolarHBondContact CA-O 3.23Å; K551-T599 PolarHBondContact N-O 2.68Å; K551-T599 PolarHBondContact O-N 3.39Å; K551-T599 PolarHBondContact O-OG1 2.95Å; E597-T599 HydrophobicContact CG-CG2 4.27Å; T599-W601 VanDerWaalsContact O-CD1 3.27Å; T599-W601 PolarHBondContact OG1-NE1 2.87Å; T599-F611 HydrophobicContact CG2-CE2 3.96Å; T599-G613 CarbonylContact C-O 3.48Å; T599-G613 WeakPolarHBondContact CA-O 3.47Å; T599-M663 HydrophobicContact CG2-CG 4.14Å
600	V	91.8	Very high	80.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.2	-179	-167	0	0	0	0	109.4	L498 L537 V550 L612 G613 L659	L498-V600 HydrophobicContact CD1-CG2 4.2Å; L498-V600 HydrophobicContact CD2-CG2 4.42Å; L537-V600 HydrophobicContact CD1-CG1 4.18Å; L537-V600 HydrophobicContact CD2-CG1 4.25Å; V550-V600 HydrophobicContact CG2-CG2 4.21Å; V600-L612 HydrophobicContact CB-CB 4.26Å; V600-L612 HydrophobicContact CG1-CB 4.18Å; V600-L612 HydrophobicContact CG1-CD1 4.23Å; V600-L612 PolarHBondContact O-N 3.29Å; V600-G613 PolarHBondContact N-O 3.31Å; V600-G613 PolarHBondContact O-N 3.38Å; V600-L659 HydrophobicContact CB-CD1 4.43Å; V600-L659 HydrophobicContact CG2-CD1 3.97Å; V600-L659 HydrophobicContact CG2-CD2 3.76Å
601	W	88.2	Confident	80.2	Confident	55 Å²	55	49.1 Å²	49.1	21%	0.208	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.3	-173.6	-60.9	82.9	0	0	0	110.8	S548 F549 K551 T599 N609 D610 F611	S548-W601 CarbonylContact C-O 3.48Å; S548-W601 VanDerWaalsContact CA-O 3.23Å; S548-W601 WeakPolarHBondContact CA-O 3.4Å; F549-W601 HydrophobicContact CD1-CB 4.09Å; F549-W601 WeakPolarHBondContact CD1-O 3.42Å; F549-W601 HydrophobicContact CE1-CB 3.62Å; F549-W601 HydrophobicContact CE2-CB 4.24Å; F549-W601 HydrophobicContact CZ-CB 3.71Å; F549-W601 HydrophobicContact CZ-CG 4.28Å; F549-W601 PolarHBondContact N-O 3.05Å; F549-W601 PolarHBondContact O-N 2.68Å; K551-W601 HydrophobicContact CD-CG 4.46Å; T599-W601 VanDerWaalsContact O-CD1 3.27Å; T599-W601 PolarHBondContact OG1-NE1 2.87Å; W601-N609 HydrophobicContact CB-CB 4.41Å; W601-N609 HydrophobicContact CE3-CB 4.16Å; W601-D610 CarbonylContact C-O 3.13Å; W601-D610 VanDerWaalsContact CA-O 3.24Å; W601-D610 WeakPolarHBondContact CA-O 3.48Å; W601-F611 HydrophobicContact CD2-CD2 4.32Å; W601-F611 AromaticContact CE2-CD2 4Å; W601-F611 HydrophobicContact CE3-CB 4.16Å; W601-F611 HydrophobicContact CE3-CD2 4.42Å; W601-F611 HydrophobicContact CH2-CB 4.26Å; W601-F611 AromaticContact CH2-CD2 3.93Å; W601-F611 HydrophobicContact CH2-CD2 3.93Å; W601-F611 AromaticContact CZ2-CD2 3.81Å; W601-F611 HydrophobicContact CZ2-CD2 3.81Å; W601-F611 HydrophobicContact CZ2-CE2 4.44Å; W601-F611 HydrophobicContact CZ3-CB 3.87Å; W601-F611 HydrophobicContact CZ3-CD2 4.24Å
602	D	85.4	Confident	79.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.3	165.1	-177.9	86.7	0	0	0	109.8	A540 K541 S546 D547 N609 D610 L612	A540-D602 HydrophobicContact CB-CB 4.09Å; K541-D602 WeakPolarHBondContact CE-OD1 3.48Å; K541-D602 WeakPolarHBondContact CE-OD2 3.43Å; K541-D602 IonicContact NZ-OD2 2.59Å; K541-D602 PolarHBondContact NZ-OD2 3.07Å; S546-D602 WeakPolarHBondContact CA-OD1 3.3Å; S546-D602 WeakPolarHBondContact CB-OD1 3.31Å; D547-D602 PolarHBondContact N-OD1 3.14Å; D602-N609 CarbonylContact O-C 3.55Å; D602-N609 WeakPolarHBondContact O-CA 3.37Å; D602-N609 WeakPolarHBondContact O-CB 3.14Å; D602-D610 HydrophobicContact CB-CB 4.36Å; D602-D610 PolarHBondContact N-O 3.33Å; D602-D610 PolarHBondContact O-N 3.04Å; D602-D610 VanDerWaalsContact O-N 3.11Å; D602-L612 HydrophobicContact CB-CD1 4.12Å; D602-L612 HydrophobicContact CB-CD2 4.18Å; D602-L612 HydrophobicContact CB-CG 4.16Å
603	R	83.4	Confident	80	Confident	85 Å²	85	44.8 Å²	44.8	32%	0.321	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-86.7	116.6	174.7	-174.1	178.5	-170.4	-173.3	7.3	110.5	E309 K541 D547 F549 V568 N609	E309-R603 IonicContact OE1-NH2 2.86Å; E309-R603 IonicContact OE2-CZ 3.58Å; E309-R603 IonicContact OE2-NH2 3.7Å; E309-R603 PolarHBondContact OE2-NH2 3.28Å; K541-R603 PolarHBondContact NZ-O 2.83Å; D547-R603 PolarHBondContact O-N 2.86Å; F549-R603 HydrophobicContact CD1-CB 4.08Å; F549-R603 HydrophobicContact CE1-CB 3.93Å; V568-R603 HydrophobicContact CG1-CB 3.91Å; R603-N609 WeakPolarHBondContact CA-OD1 3.42Å
604	E	77.1	Confident	80.4	Confident	71 Å²	71	40.9 Å²	40.9	33%	0.332	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-103.9	116.8	166.3	-81	-73.4	-126.7	0	0	112.1	K541 L606 A607	K541-E604 WeakPolarHBondContact CE-OE2 3.49Å; K541-E604 IonicContact NZ-OE2 3.6Å; K541-E604 PolarHBondContact NZ-OE2 2.72Å; E604-L606 PolarHBondContact O-N 3.27Å; E604-A607 HydrophobicContact CB-CB 3.87Å; E604-A607 PolarHBondContact O-N 2.93Å
605	P	60.1	Low	80.5	Confident	101 Å²	101	40 Å²	40	66%	0.656	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.9	-177.7	-24.6	34.6	0	0	0	116
606	L	49.8	Very low	80.6	Confident	171 Å²	171	40.1 Å²	40.1	90%	0.895	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.5	8.2	-174.2	-62.3	174.7	0	0	0	113.3	E604	E604-L606 PolarHBondContact O-N 3.27Å
607	A	57.3	Low	80.6	Confident	70 Å²	70	40.1 Å²	40.1	58%	0.579	22%	0.219	S	C	*	.	S	Bend	trans	-142.6	-172.3	-177.4	0	0	0	0	0	111.4	E604	E604-A607 HydrophobicContact CB-CB 3.87Å; E604-A607 PolarHBondContact O-N 2.93Å
608	S	61.1	Low	80.4	Confident	77 Å²	77	39.3 Å²	39.3	54%	0.538	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-73.8	145.1	164	48.6	0	0	0	0	110.4	D610	S608-D610 PolarHBondContact O-N 2.91Å
609	N	77.1	Confident	80	Confident	44 Å²	44	40.7 Å²	40.7	24%	0.235	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-62	131	171.3	-51.6	-71.4	0	0	0	110.4	F549 W601 D602 R603	F549-N609 HydrophobicContact CE1-CB 4.39Å; F549-N609 HydrophobicContact CZ-CB 4.44Å; W601-N609 HydrophobicContact CB-CB 4.41Å; W601-N609 HydrophobicContact CE3-CB 4.16Å; D602-N609 CarbonylContact O-C 3.55Å; D602-N609 WeakPolarHBondContact O-CA 3.37Å; D602-N609 WeakPolarHBondContact O-CB 3.14Å; R603-N609 WeakPolarHBondContact CA-OD1 3.42Å
610	D	78.1	Confident	79.4	Confident	81 Å²	81	41.7 Å²	41.7	43%	0.433	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	146.1	179.5	-79.8	-30.7	0	0	0	111.9	W601 D602 S608 L612	W601-D610 CarbonylContact C-O 3.13Å; W601-D610 VanDerWaalsContact CA-O 3.24Å; W601-D610 WeakPolarHBondContact CA-O 3.48Å; D602-D610 HydrophobicContact CB-CB 4.36Å; D602-D610 PolarHBondContact N-O 3.33Å; D602-D610 PolarHBondContact O-N 3.04Å; D602-D610 VanDerWaalsContact O-N 3.11Å; S608-D610 PolarHBondContact O-N 2.91Å; D610-L612 PolarHBondContact O-N 2.79Å
611	F	82	Confident	78.5	Confident	53 Å²	53	45.2 Å²	45.2	23%	0.232	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.8	-177.2	-179.9	-105.7	0	0	0	111.1	T599 W601 G613 M663	T599-F611 HydrophobicContact CG2-CE2 3.96Å; W601-F611 HydrophobicContact CD2-CD2 4.32Å; W601-F611 AromaticContact CE2-CD2 4Å; W601-F611 HydrophobicContact CE3-CB 4.16Å; W601-F611 HydrophobicContact CE3-CD2 4.42Å; W601-F611 HydrophobicContact CH2-CB 4.26Å; W601-F611 AromaticContact CH2-CD2 3.93Å; W601-F611 HydrophobicContact CH2-CD2 3.93Å; W601-F611 AromaticContact CZ2-CD2 3.81Å; W601-F611 HydrophobicContact CZ2-CD2 3.81Å; W601-F611 HydrophobicContact CZ2-CE2 4.44Å; W601-F611 HydrophobicContact CZ3-CB 3.87Å; W601-F611 HydrophobicContact CZ3-CD2 4.24Å; F611-G613 WeakPolarHBondContact CE2-O 3.46Å; F611-G613 VanDerWaalsContact CZ-CA 3.46Å; F611-G613 WeakPolarHBondContact CZ-O 3.23Å; F611-M663 HydrophobicContact CE2-CG 4.19Å; F611-M663 HydrophobicContact CZ-CG 3.7Å; F611-M663 HydrophobicContact CZ-SD 4.1Å
612	L	80	Confident	77.4	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-32.8	178.9	-60.4	-176.4	0	0	0	111.9	K495 L537 T538 A540 V600 D602 D610	K495-L612 VanDerWaalsContact CB-O 3.22Å; K495-L612 WeakPolarHBondContact CB-O 3.32Å; K495-L612 WeakPolarHBondContact CD-O 3.48Å; L537-L612 HydrophobicContact CD1-CD1 4.04Å; T538-L612 WeakPolarHBondContact O-CD2 3.17Å; A540-L612 HydrophobicContact CB-CD2 4.17Å; V600-L612 HydrophobicContact CB-CB 4.26Å; V600-L612 HydrophobicContact CG1-CB 4.18Å; V600-L612 HydrophobicContact CG1-CD1 4.23Å; V600-L612 PolarHBondContact O-N 3.29Å; D602-L612 HydrophobicContact CB-CD1 4.12Å; D602-L612 HydrophobicContact CB-CD2 4.18Å; D602-L612 HydrophobicContact CB-CG 4.16Å; D610-L612 PolarHBondContact O-N 2.79Å
613	G	84.9	Confident	76.6	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-177.2	173.1	0	0	0	0	0	113.1	T599 V600 F611 R660	T599-G613 CarbonylContact C-O 3.48Å; T599-G613 WeakPolarHBondContact CA-O 3.47Å; V600-G613 PolarHBondContact N-O 3.31Å; V600-G613 PolarHBondContact O-N 3.38Å; F611-G613 WeakPolarHBondContact CE2-O 3.46Å; F611-G613 VanDerWaalsContact CZ-CA 3.46Å; F611-G613 WeakPolarHBondContact CZ-O 3.23Å; G613-R660 VanDerWaalsContact CA-O 3.24Å; G613-R660 WeakPolarHBondContact CA-O 3.47Å
614	G	89.1	Confident	76	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	173.7	175.9	0	0	0	0	0	114.4	L598 R660 M663	L598-G614 CarbonylContact O-C 3.47Å; L598-G614 WeakPolarHBondContact O-CA 3.43Å; G614-R660 PolarHBondContact N-O 2.92Å; G614-R660 WeakPolarHBondContact O-CB 3.25Å; G614-R660 WeakPolarHBondContact O-CD 3.15Å; G614-R660 VanDerWaalsContact O-CG 3.28Å; G614-R660 WeakPolarHBondContact O-CG 3.48Å; G614-R660 PolarHBondContact O-N 2.94Å; G614-M663 VanDerWaalsContact C-SD 3.56Å
615	V	90.4	Very high	75.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.6	-179.1	-66.3	0	0	0	0	110.2	L498 L598 E638 L657 Q658 L659	L498-V615 HydrophobicContact CD2-CG2 4.23Å; L598-V615 HydrophobicContact CB-CG2 3.83Å; L598-V615 HydrophobicContact CD1-CG2 4.3Å; L598-V615 HydrophobicContact CG-CG2 4.45Å; L598-V615 PolarHBondContact N-O 2.84Å; L598-V615 PolarHBondContact O-N 2.9Å; V615-E638 WeakPolarHBondContact CA-OE1 3.42Å; V615-E638 WeakPolarHBondContact CB-OE1 3.26Å; V615-L657 HydrophobicContact CB-CD1 4.42Å; V615-L657 HydrophobicContact CG1-CB 3.89Å; V615-L657 HydrophobicContact CG2-CD1 3.96Å; V615-Q658 WeakPolarHBondContact CG1-O 3.22Å; V615-L659 HydrophobicContact CG1-CD2 4.29Å
616	R	90.6	Very high	75.7	Confident	3 Å²	3	44.9 Å²	44.9	1%	0.011	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109.2	178.3	-88.1	173.9	-172.4	157.4	-0.3	110.5	E597 D630 D633 S634 E638 M663	E597-R616 HydrophobicContact CB-CG 4.3Å; E597-R616 HydrophobicContact CG-CG 4.4Å; E597-R616 IonicContact OE2-CZ 3.71Å; E597-R616 VanDerWaalsContact OE2-CZ 3.24Å; E597-R616 IonicContact OE2-NE 3.42Å; E597-R616 PolarHBondContact OE2-NE 2.84Å; E597-R616 IonicContact OE2-NH2 3.57Å; E597-R616 PolarHBondContact OE2-NH2 3.28Å; R616-D630 PolarHBondContact NH1-O 3.49Å; R616-D633 WeakPolarHBondContact CD-OD1 3.48Å; R616-D633 IonicContact CZ-OD1 2.73Å; R616-D633 IonicContact NE-OD1 2.72Å; R616-D633 VanDerWaalsContact NH1-CG 3.31Å; R616-D633 IonicContact NH1-OD1 3.26Å; R616-D633 PolarHBondContact NH1-OD1 2.8Å; R616-D633 IonicContact NH1-OD2 3.17Å; R616-D633 PolarHBondContact NH1-OD2 3.46Å; R616-S634 WeakPolarHBondContact O-CB 3.44Å; R616-S634 PolarHBondContact O-OG 3.07Å; R616-E638 PolarHBondContact N-OE1 3.25Å; R616-E638 WeakPolarHBondContact O-CB 3.31Å; R616-M663 HydrophobicContact CB-CE 4.5Å; R616-M663 HydrophobicContact CG-CE 3.64Å; R616-M663 PolarHBondContact NH2-O 2.7Å
617	L	89.8	Confident	76.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	106.5	-178.4	-68.9	160.1	0	0	0	109.3	V500 L502 C595 L596 L598 E638 L641 W642 L657	V500-L617 HydrophobicContact CG2-CD1 4.31Å; L502-L617 HydrophobicContact CD1-CD1 4.23Å; L502-L617 HydrophobicContact CD1-CD2 4.47Å; L502-L617 HydrophobicContact CD2-CD1 4.18Å; C595-L617 CarbonylContact C-O 3.53Å; C595-L617 WeakPolarHBondContact CA-O 3.21Å; C595-L617 PolarHBondContact SG-O 2.63Å; L596-L617 HydrophobicContact CB-CB 4.17Å; L596-L617 HydrophobicContact CD2-CB 4.49Å; L596-L617 HydrophobicContact CD2-CD1 4.01Å; L596-L617 PolarHBondContact N-O 3.33Å; L596-L617 PolarHBondContact O-N 3.41Å; L598-L617 HydrophobicContact CD1-CD1 3.95Å; L617-E638 HydrophobicContact CD2-CB 4.08Å; L617-E638 WeakPolarHBondContact CD2-O 3.37Å; L617-L641 HydrophobicContact CD2-CB 4.09Å; L617-L641 HydrophobicContact CD2-CD2 3.94Å; L617-L641 HydrophobicContact CD2-CG 4.34Å; L617-W642 HydrophobicContact CB-CE3 3.89Å; L617-W642 HydrophobicContact CB-CZ3 4.44Å; L617-L657 HydrophobicContact CD1-CD1 3.87Å; L617-L657 HydrophobicContact CD2-CD1 3.75Å; L617-L657 HydrophobicContact CD2-CD2 4.21Å; L617-L657 HydrophobicContact CG-CD1 4.1Å
618	G	88.4	Confident	77.1	Confident	0 Å²	0	45 Å²	45	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-165	-173.2	-171.8	0	0	0	0	0	110.9	G620 S634	G618-G620 VanDerWaalsContact C-N 3.31Å; G618-G620 PolarHBondContact O-N 3.48Å; G618-S634 WeakPolarHBondContact CA-OG 3.2Å; G618-S634 PolarHBondContact N-OG 3.06Å; G618-S634 VanDerWaalsContact N-OG 3.17Å
619	V	84.6	Confident	77.6	Confident	29 Å²	29	42.5 Å²	42.5	18%	0.176	26%	0.257	C	S	.	.			trans	-79.7	-12.2	-176	-166.1	0	0	0	0	112.9	Q592 T621	Q592-V619 WeakPolarHBondContact O-CG2 3.26Å; V619-T621 VanDerWaalsContact C-N 3.33Å; V619-T621 HydrophobicContact CB-CG2 4.04Å; V619-T621 HydrophobicContact CG1-CG2 3.84Å; V619-T621 PolarHBondContact O-N 3.37Å
620	G	78	Confident	77.3	Confident	30 Å²	30	43.9 Å²	43.9	31%	0.309	26%	0.264	S	S	.	.			trans	73.1	20.4	177.5	0	0	0	0	0	114.8	G618 G622 M632 S634	G618-G620 VanDerWaalsContact C-N 3.31Å; G618-G620 PolarHBondContact O-N 3.48Å; G620-G622 VanDerWaalsContact C-N 3.3Å; G620-G622 PolarHBondContact O-N 2.73Å; G620-M632 CarbonylContact C-O 3.55Å; G620-M632 VanDerWaalsContact CA-O 3.32Å; G620-M632 WeakPolarHBondContact CA-O 3.37Å; G620-S634 VanDerWaalsContact CA-O 3.3Å; G620-S634 WeakPolarHBondContact CA-O 3.01Å
621	T	72.2	Confident	77	Confident	73 Å²	73	41.2 Å²	41.2	45%	0.448	25%	0.248	S	C	.	.			trans	-74.5	-9.5	-170.5	46	0	0	0	0	115.4	V619 N623 M632	V619-T621 VanDerWaalsContact C-N 3.33Å; V619-T621 HydrophobicContact CB-CG2 4.04Å; V619-T621 HydrophobicContact CG1-CG2 3.84Å; V619-T621 PolarHBondContact O-N 3.37Å; T621-N623 PolarHBondContact O-N 3.02Å; T621-N623 PolarHBondContact OG1-O 3.06Å; T621-M632 PolarHBondContact N-O 3.27Å
622	G	65.2	Low	76.7	Confident	25 Å²	25	38.7 Å²	38.7	26%	0.258	24%	0.237	S	C	.	.	S	Bend	trans	66.6	-25.5	-169.2	0	0	0	0	0	115.1	G620 V629 M632	G620-G622 VanDerWaalsContact C-N 3.3Å; G620-G622 PolarHBondContact O-N 2.73Å; G622-V629 PolarHBondContact O-N 3.48Å; G622-M632 PolarHBondContact N-O 3.46Å
623	N	69.4	Low	76.6	Confident	68 Å²	68	40.1 Å²	40.1	36%	0.364	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.1	-176.7	-67.2	57	0	0	0	112.3	T621 G626 E627 V628	T621-N623 PolarHBondContact O-N 3.02Å; T621-N623 PolarHBondContact OG1-O 3.06Å; N623-G626 PolarHBondContact ND2-O 2.94Å; N623-E627 CarbonylContact C-O 3.47Å; N623-E627 WeakPolarHBondContact CA-O 3.47Å; N623-E627 WeakPolarHBondContact CB-O 3.35Å; N623-V628 WeakPolarHBondContact ND2-CG2 3.38Å
624	S	71.3	Confident	76.5	Confident	11 Å²	11	40.3 Å²	40.3	8%	0.077	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.3	167.3	-170.8	0	0	0	0	109.1	G626 E627	S624-G626 PolarHBondContact O-N 2.79Å; S624-E627 PolarHBondContact N-O 3.24Å; S624-E627 PolarHBondContact O-N 3.29Å
625	N	65.5	Low	76	Confident	137 Å²	137	44.8 Å²	44.8	73%	0.733	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	30.1	-176.4	-59	-6	0	0	0	115
626	G	64.4	Low	75.7	Confident	64 Å²	64	47.4 Å²	47.4	66%	0.66	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-29.3	-177	0	0	0	0	0	114.5	N623 S624	N623-G626 PolarHBondContact ND2-O 2.94Å; S624-G626 PolarHBondContact O-N 2.79Å
627	E	65.8	Low	75.5	Confident	148 Å²	148	52.6 Å²	52.6	69%	0.692	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	143.4	179.7	-60.6	-168.2	142.5	0	0	112.2	N623 S624 V629	N623-E627 CarbonylContact C-O 3.47Å; N623-E627 WeakPolarHBondContact CA-O 3.47Å; N623-E627 WeakPolarHBondContact CB-O 3.35Å; S624-E627 PolarHBondContact N-O 3.24Å; S624-E627 PolarHBondContact O-N 3.29Å; E627-V629 PolarHBondContact O-N 2.93Å
628	V	71	Confident	75.4	Confident	97 Å²	97	53.1 Å²	53.1	59%	0.588	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.4	172.8	179.2	0	0	0	0	109.2	N623	N623-V628 WeakPolarHBondContact ND2-CG2 3.38Å
629	V	72.6	Confident	75.4	Confident	24 Å²	24	54.1 Å²	54.1	15%	0.145	33%	0.333	C	S	.	.			trans	-113.9	146.3	-172.6	-65.4	0	0	0	0	112.6	G622 E627 W631 M632	G622-V629 PolarHBondContact O-N 3.48Å; E627-V629 PolarHBondContact O-N 2.93Å; V629-W631 HydrophobicContact CB-CD2 4.36Å; V629-W631 HydrophobicContact CB-CG 4.41Å; V629-W631 HydrophobicContact CB-CZ2 4.33Å; V629-W631 HydrophobicContact CG1-CZ2 4.26Å; V629-W631 HydrophobicContact CG2-CD2 4.04Å; V629-W631 HydrophobicContact CG2-CE3 4.47Å; V629-W631 HydrophobicContact CG2-CG 4.4Å; V629-W631 HydrophobicContact CG2-CZ2 4.11Å; V629-W631 PolarHBondContact O-N 3.48Å; V629-W631 VanDerWaalsContact O-N 3.13Å; V629-M632 HydrophobicContact CG2-CB 3.7Å; V629-M632 HydrophobicContact CG2-CG 3.57Å
630	D	69.1	Low	75.6	Confident	73 Å²	73	56.2 Å²	56.2	39%	0.39	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	10.8	-176.4	70.5	-39	0	0	0	114.6	R616 K665	R616-D630 PolarHBondContact NH1-O 3.49Å; D630-K665 HydrophobicContact CB-CB 4.28Å; D630-K665 HydrophobicContact CB-CD 4.46Å
631	W	72.5	Confident	76.3	Confident	24 Å²	24	55.1 Å²	55.1	9%	0.091	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	0.3	-172.6	56.6	-96.5	0	0	0	115.8	L555 P556 H593 C595 V629 D633	L555-W631 HydrophobicContact CB-CD2 4.16Å; L555-W631 HydrophobicContact CB-CE3 3.98Å; L555-W631 HydrophobicContact CB-CZ3 4.32Å; L555-W631 HydrophobicContact CD1-CB 3.55Å; L555-W631 HydrophobicContact CD1-CD2 4.2Å; L555-W631 HydrophobicContact CD1-CE3 4.41Å; L555-W631 HydrophobicContact CD1-CG 3.86Å; P556-W631 HydrophobicContact CB-CH2 4.29Å; P556-W631 HydrophobicContact CB-CZ2 4.04Å; H593-W631 VanDerWaalsContact O-CH2 3.25Å; H593-W631 WeakPolarHBondContact O-CH2 3.36Å; H593-W631 WeakPolarHBondContact O-CZ3 3.46Å; C595-W631 HydrophobicContact CB-CE3 3.63Å; C595-W631 HydrophobicContact CB-CZ3 3.96Å; C595-W631 PolarHBondContact SG-O 2.85Å; V629-W631 HydrophobicContact CB-CD2 4.36Å; V629-W631 HydrophobicContact CB-CG 4.41Å; V629-W631 HydrophobicContact CB-CZ2 4.33Å; V629-W631 HydrophobicContact CG1-CZ2 4.26Å; V629-W631 HydrophobicContact CG2-CD2 4.04Å; V629-W631 HydrophobicContact CG2-CE3 4.47Å; V629-W631 HydrophobicContact CG2-CG 4.4Å; V629-W631 HydrophobicContact CG2-CZ2 4.11Å; V629-W631 PolarHBondContact O-N 3.48Å; V629-W631 VanDerWaalsContact O-N 3.13Å; W631-D633 VanDerWaalsContact C-N 3.26Å; W631-D633 WeakPolarHBondContact CA-OD1 3.5Å
632	M	76.7	Confident	77.2	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	32%	0.315	C	S	.	.			trans	-96.5	33.5	168.6	-75.7	-64.4	-127.5	0	0	111.3	Q592 C595 G620 T621 G622 V629	Q592-M632 WeakPolarHBondContact O-CE 3.42Å; C595-M632 HydrophobicContact CB-SD 4.13Å; G620-M632 CarbonylContact C-O 3.55Å; G620-M632 VanDerWaalsContact CA-O 3.32Å; G620-M632 WeakPolarHBondContact CA-O 3.37Å; T621-M632 PolarHBondContact N-O 3.27Å; G622-M632 PolarHBondContact N-O 3.46Å; V629-M632 HydrophobicContact CG2-CB 3.7Å; V629-M632 HydrophobicContact CG2-CG 3.57Å
633	D	78	Confident	78.4	Confident	36 Å²	36	54.4 Å²	54.4	19%	0.193	32%	0.321	C	S	.	.			trans	-97.2	21.8	-174.7	65.4	-51	0	0	0	113.3	R616 W631 R660	R616-D633 WeakPolarHBondContact CD-OD1 3.48Å; R616-D633 IonicContact CZ-OD1 2.73Å; R616-D633 IonicContact NE-OD1 2.72Å; R616-D633 VanDerWaalsContact NH1-CG 3.31Å; R616-D633 IonicContact NH1-OD1 3.26Å; R616-D633 PolarHBondContact NH1-OD1 2.8Å; R616-D633 IonicContact NH1-OD2 3.17Å; R616-D633 PolarHBondContact NH1-OD2 3.46Å; W631-D633 VanDerWaalsContact C-N 3.26Å; W631-D633 WeakPolarHBondContact CA-OD1 3.5Å; D633-R660 PolarHBondContact O-NH2 3.22Å; D633-R660 IonicContact OD2-CZ 2.69Å; D633-R660 IonicContact OD2-NH1 3.98Å; D633-R660 PolarHBondContact OD2-NH1 3.47Å; D633-R660 IonicContact OD2-NH2 2.66Å
634	S	81.5	Confident	79.3	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.028	33%	0.325	C	S	.	.			trans	-57	138.1	173.1	-53	0	0	0	0	111.8	R616 G618 G620 E638 V639	R616-S634 WeakPolarHBondContact O-CB 3.44Å; R616-S634 PolarHBondContact O-OG 3.07Å; G618-S634 WeakPolarHBondContact CA-OG 3.2Å; G618-S634 PolarHBondContact N-OG 3.06Å; G618-S634 VanDerWaalsContact N-OG 3.17Å; G620-S634 VanDerWaalsContact CA-O 3.3Å; G620-S634 WeakPolarHBondContact CA-O 3.01Å; S634-E638 WeakPolarHBondContact CA-OE2 3.17Å; S634-V639 VanDerWaalsContact O-CG2 3.27Å; S634-V639 WeakPolarHBondContact O-CG2 3.47Å
635	T	78.7	Confident	80.4	Confident	94 Å²	94	55.6 Å²	55.6	58%	0.577	32%	0.322	S	S	*	.			trans	-136.3	159.2	177	59.2	0	0	0	0	113	E637 E638	T635-E637 PolarHBondContact O-N 2.92Å; T635-E637 VanDerWaalsContact O-N 3.15Å; T635-E638 PolarHBondContact N-OE2 2.91Å; T635-E638 WeakPolarHBondContact O-CB 3.43Å; T635-E638 PolarHBondContact O-N 3Å
636	G	84.7	Confident	81.5	Confident	55 Å²	55	51.8 Å²	51.8	57%	0.567	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	-114.1	170.1	0	0	0	0	0	115.2	E638 V639 S640	G636-E638 VanDerWaalsContact C-N 3.31Å; G636-E638 PolarHBondContact O-N 2.7Å; G636-V639 PolarHBondContact O-N 3.28Å; G636-S640 WeakPolarHBondContact O-CB 3.26Å; G636-S640 PolarHBondContact O-N 2.89Å; G636-S640 PolarHBondContact O-OG 3.04Å
637	E	86.3	Confident	82.6	Confident	112 Å²	112	54.5 Å²	54.5	52%	0.523	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-34.2	-179.1	-59.7	-178.1	133.9	0	0	112.6	T635 S640 L641 L657	T635-E637 PolarHBondContact O-N 2.92Å; T635-E637 VanDerWaalsContact O-N 3.15Å; E637-S640 PolarHBondContact O-N 3.26Å; E637-L641 VanDerWaalsContact O-CB 3.32Å; E637-L641 WeakPolarHBondContact O-CB 3.34Å; E637-L641 PolarHBondContact O-N 3Å; E637-L657 HydrophobicContact CB-CD2 4.1Å
638	E	88.4	Confident	83.6	Confident	11 Å²	11	54.2 Å²	54.2	5%	0.051	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-44.8	179.9	-61.8	171.6	132.7	0	0	111.4	V615 R616 L617 S634 T635 G636 W642 L657 R660	V615-E638 WeakPolarHBondContact CA-OE1 3.42Å; V615-E638 WeakPolarHBondContact CB-OE1 3.26Å; R616-E638 PolarHBondContact N-OE1 3.25Å; R616-E638 WeakPolarHBondContact O-CB 3.31Å; L617-E638 HydrophobicContact CD2-CB 4.08Å; L617-E638 WeakPolarHBondContact CD2-O 3.37Å; S634-E638 WeakPolarHBondContact CA-OE2 3.17Å; T635-E638 PolarHBondContact N-OE2 2.91Å; T635-E638 WeakPolarHBondContact O-CB 3.43Å; T635-E638 PolarHBondContact O-N 3Å; G636-E638 VanDerWaalsContact C-N 3.31Å; G636-E638 PolarHBondContact O-N 2.7Å; E638-W642 WeakPolarHBondContact O-CB 3.4Å; E638-W642 PolarHBondContact O-N 2.87Å; E638-W642 VanDerWaalsContact O-N 3.12Å; E638-L657 HydrophobicContact CG-CD2 4.23Å; E638-R660 IonicContact OE1-CZ 3.92Å; E638-R660 IonicContact OE1-NE 2.79Å; E638-R660 PolarHBondContact OE1-NE 3.08Å; E638-R660 IonicContact OE1-NH2 3.09Å; E638-R660 PolarHBondContact OE1-NH2 3.41Å; E638-R660 IonicContact OE2-CZ 2.63Å; E638-R660 IonicContact OE2-NE 2.8Å; E638-R660 IonicContact OE2-NH2 2.67Å; E638-R660 PolarHBondContact OE2-NH2 3.15Å
639	V	88.1	Confident	84.3	Confident	21 Å²	21	52.2 Å²	52.2	13%	0.127	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-44.5	177.2	178.3	0	0	0	0	110	S634 G636 L641 W642 Q643	S634-V639 VanDerWaalsContact O-CG2 3.27Å; S634-V639 WeakPolarHBondContact O-CG2 3.47Å; G636-V639 PolarHBondContact O-N 3.28Å; V639-L641 VanDerWaalsContact C-N 3.31Å; V639-L641 PolarHBondContact O-N 2.86Å; V639-W642 PolarHBondContact O-N 3.45Å; V639-Q643 HydrophobicContact CG1-CG 4.17Å; V639-Q643 WeakPolarHBondContact O-CB 3.44Å; V639-Q643 VanDerWaalsContact O-CG 3.29Å; V639-Q643 WeakPolarHBondContact O-CG 3.43Å; V639-Q643 PolarHBondContact O-N 2.68Å
640	S	89.2	Confident	84.9	Confident	72 Å²	72	52.7 Å²	52.7	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-57.2	-43.5	177.9	-58.8	0	0	0	0	112	G636 E637 K644	G636-S640 WeakPolarHBondContact O-CB 3.26Å; G636-S640 PolarHBondContact O-N 2.89Å; G636-S640 PolarHBondContact O-OG 3.04Å; E637-S640 PolarHBondContact O-N 3.26Å; S640-K644 VanDerWaalsContact O-CB 3.3Å; S640-K644 WeakPolarHBondContact O-CB 3.37Å; S640-K644 PolarHBondContact O-N 2.92Å
641	L	91.3	Very high	85.9	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-69.4	-41.8	179.3	-171.8	60.8	0	0	0	112.3	V500 L502 L617 E637 V639 K644 M645 A653 E654 L657	V500-L641 HydrophobicContact CG2-CD2 3.74Å; L502-L641 HydrophobicContact CD1-CD2 4.31Å; L502-L641 HydrophobicContact CD1-CG 3.94Å; L502-L641 HydrophobicContact CG-CD2 4.37Å; L502-L641 HydrophobicContact CG-CG 4.27Å; L617-L641 HydrophobicContact CD2-CB 4.09Å; L617-L641 HydrophobicContact CD2-CD2 3.94Å; L617-L641 HydrophobicContact CD2-CG 4.34Å; E637-L641 VanDerWaalsContact O-CB 3.32Å; E637-L641 WeakPolarHBondContact O-CB 3.34Å; E637-L641 PolarHBondContact O-N 3Å; V639-L641 VanDerWaalsContact C-N 3.31Å; V639-L641 PolarHBondContact O-N 2.86Å; L641-K644 PolarHBondContact O-N 2.84Å; L641-M645 PolarHBondContact O-N 3.47Å; L641-M645 VanDerWaalsContact O-N 3.11Å; L641-A653 HydrophobicContact CD1-CB 4.08Å; L641-A653 WeakPolarHBondContact CD1-O 3.39Å; L641-E654 VanDerWaalsContact CD1-C 3.43Å; L641-E654 WeakPolarHBondContact CD1-O 3.31Å; L641-L657 HydrophobicContact CD2-CD1 4Å; L641-L657 HydrophobicContact CD2-CD2 4.05Å; L641-L657 HydrophobicContact CD2-CG 4.22Å
642	W	91.8	Very high	86.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-42.5	175.7	-170.1	-106.8	0	0	0	112.1	L502 L527 L554 L591 L596 L617 E638 V639 M645 R646	L502-W642 HydrophobicContact CD1-CE3 4.01Å; L527-W642 HydrophobicContact CD2-CH2 3.89Å; L527-W642 HydrophobicContact CD2-CZ3 4.05Å; L554-W642 HydrophobicContact CD1-CH2 4.42Å; L591-W642 HydrophobicContact CB-CZ2 4.28Å; L591-W642 HydrophobicContact CD2-CH2 3.73Å; L591-W642 HydrophobicContact CD2-CZ2 3.6Å; L591-W642 PolarHBondContact O-NE1 3.45Å; L596-W642 HydrophobicContact CB-CH2 4.25Å; L596-W642 HydrophobicContact CB-CZ3 3.78Å; L596-W642 HydrophobicContact CD2-CZ3 4.45Å; L617-W642 HydrophobicContact CB-CE3 3.89Å; L617-W642 HydrophobicContact CB-CZ3 4.44Å; E638-W642 WeakPolarHBondContact O-CB 3.4Å; E638-W642 PolarHBondContact O-N 2.87Å; E638-W642 VanDerWaalsContact O-N 3.12Å; V639-W642 PolarHBondContact O-N 3.45Å; W642-M645 HydrophobicContact CD2-CE 3.58Å; W642-M645 HydrophobicContact CE3-CE 3.31Å; W642-M645 HydrophobicContact CG-CE 4.33Å; W642-M645 HydrophobicContact CH2-CE 3.9Å; W642-M645 HydrophobicContact CZ2-CE 4.12Å; W642-M645 HydrophobicContact CZ3-CE 3.48Å; W642-M645 VanDerWaalsContact CZ3-CE 3.48Å; W642-M645 PolarHBondContact O-N 2.9Å; W642-R646 WeakPolarHBondContact O-CG 3.16Å; W642-R646 PolarHBondContact O-N 3.19Å; W642-R646 VanDerWaalsContact O-N 3.16Å
643	Q	89.4	Confident	87.6	Confident	82 Å²	82	56.3 Å²	56.3	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-45.9	175.2	-73.1	179.8	1	0	0	111.9	V639 M645 R646 Q647	V639-Q643 HydrophobicContact CG1-CG 4.17Å; V639-Q643 WeakPolarHBondContact O-CB 3.44Å; V639-Q643 VanDerWaalsContact O-CG 3.29Å; V639-Q643 WeakPolarHBondContact O-CG 3.43Å; V639-Q643 PolarHBondContact O-N 2.68Å; Q643-M645 VanDerWaalsContact C-N 3.31Å; Q643-M645 PolarHBondContact O-N 2.84Å; Q643-R646 PolarHBondContact O-N 3.27Å; Q643-R646 VanDerWaalsContact O-N 3.08Å; Q643-Q647 WeakPolarHBondContact O-CG 3.4Å; Q643-Q647 PolarHBondContact O-N 2.88Å
644	K	89.9	Confident	88.4	Confident	104 Å²	104	59 Å²	59	45%	0.452	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-40.8	178	-170.7	178.8	-178.8	-179.4	0	112	S640 L641 Q647 Y648 A653	S640-K644 VanDerWaalsContact O-CB 3.3Å; S640-K644 WeakPolarHBondContact O-CB 3.37Å; S640-K644 PolarHBondContact O-N 2.92Å; L641-K644 PolarHBondContact O-N 2.84Å; K644-Q647 PolarHBondContact O-N 3.35Å; K644-Y648 HydrophobicContact CG-CD2 4.37Å; K644-Y648 WeakPolarHBondContact O-CD2 3.25Å; K644-Y648 PolarHBondContact O-N 3.24Å; K644-A653 HydrophobicContact CB-CB 4.04Å; K644-A653 HydrophobicContact CD-CB 4.04Å; K644-A653 HydrophobicContact CG-CB 3.83Å
645	M	93	Very high	88.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-40	173.8	170.4	-87.1	-67.8	0	0	113	L502 Y504 L527 L591 L641 W642 Q643 A653	L502-M645 HydrophobicContact CB-CB 3.84Å; L502-M645 HydrophobicContact CB-CG 3.76Å; L502-M645 HydrophobicContact CD1-CB 4.33Å; L502-M645 HydrophobicContact CD1-CE 4.43Å; Y504-M645 VanDerWaalsContact CB-SD 3.57Å; L527-M645 HydrophobicContact CD1-CE 4Å; L527-M645 HydrophobicContact CD1-CG 4.4Å; L527-M645 HydrophobicContact CD1-SD 4.06Å; L591-M645 HydrophobicContact CD1-CE 4.5Å; L591-M645 HydrophobicContact CD1-SD 4.1Å; L591-M645 HydrophobicContact CD2-CE 4.49Å; L641-M645 PolarHBondContact O-N 3.47Å; L641-M645 VanDerWaalsContact O-N 3.11Å; W642-M645 HydrophobicContact CD2-CE 3.58Å; W642-M645 HydrophobicContact CE3-CE 3.31Å; W642-M645 HydrophobicContact CG-CE 4.33Å; W642-M645 HydrophobicContact CH2-CE 3.9Å; W642-M645 HydrophobicContact CZ2-CE 4.12Å; W642-M645 HydrophobicContact CZ3-CE 3.48Å; W642-M645 VanDerWaalsContact CZ3-CE 3.48Å; W642-M645 PolarHBondContact O-N 2.9Å; Q643-M645 VanDerWaalsContact C-N 3.31Å; Q643-M645 PolarHBondContact O-N 2.84Å; M645-A653 HydrophobicContact CB-CB 4.03Å
646	R	88.6	Confident	89.5	Confident	56 Å²	56	58 Å²	58	21%	0.211	31%	0.313	C	S	.	.	H	α-helix	trans	-71.9	-32.5	177.6	-69.4	179.2	71.8	-145.9	2.7	113.1	L591 W642 Q643	L591-R646 HydrophobicContact CB-CG 4.21Å; L591-R646 HydrophobicContact CD1-CG 4.22Å; W642-R646 WeakPolarHBondContact O-CG 3.16Å; W642-R646 PolarHBondContact O-N 3.19Å; W642-R646 VanDerWaalsContact O-N 3.16Å; Q643-R646 PolarHBondContact O-N 3.27Å; Q643-R646 VanDerWaalsContact O-N 3.08Å
647	Q	87.3	Confident	89.8	Confident	121 Å²	121	55.5 Å²	55.5	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-73	-33.1	178.9	-74.3	172.8	5.8	0	0	113.2	Q643 K644 P649	Q643-Q647 WeakPolarHBondContact O-CG 3.4Å; Q643-Q647 PolarHBondContact O-N 2.88Å; K644-Q647 PolarHBondContact O-N 3.35Å; Q647-P649 VanDerWaalsContact C-CD 3.44Å; Q647-P649 WeakPolarHBondContact O-CD 3.45Å
648	Y	87.6	Confident	89.8	Confident	143 Å²	143	54.3 Å²	54.3	56%	0.561	28%	0.281	S	S	*	.	S	Bend	trans	-122.2	69.3	-176.8	-57.2	-81.6	0	0	0	112.6	K644 S651	K644-Y648 HydrophobicContact CG-CD2 4.37Å; K644-Y648 WeakPolarHBondContact O-CD2 3.25Å; K644-Y648 PolarHBondContact O-N 3.24Å; Y648-S651 WeakPolarHBondContact O-CB 3.36Å; Y648-S651 PolarHBondContact O-N 2.78Å
649	P	85.9	Confident	89.7	Confident	54 Å²	54	54 Å²	54	35%	0.351	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	143.8	174.3	-22.3	33.2	0	0	0	112.4	Y504 P506 Q647 S651	Y504-P649 HydrophobicContact CD1-CB 4.27Å; Y504-P649 CarbonylContact O-C 3.46Å; Y504-P649 WeakPolarHBondContact O-CA 3.49Å; P506-P649 HydrophobicContact CG-CB 3.69Å; P506-P649 HydrophobicContact CG-CG 4.49Å; Q647-P649 VanDerWaalsContact C-CD 3.44Å; Q647-P649 WeakPolarHBondContact O-CD 3.45Å; P649-S651 PolarHBondContact O-N 3.45Å
650	G	84.5	Confident	89.5	Confident	35 Å²	35	55.1 Å²	55.1	36%	0.361	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-21.8	-174.6	0	0	0	0	0	114.7	K503 Y504	K503-G650 WeakPolarHBondContact CD-O 3.48Å; K503-G650 WeakPolarHBondContact CE-O 3.32Å; K503-G650 PolarHBondContact NZ-O 3.48Å; Y504-G650 PolarHBondContact O-N 3Å
651	S	91.2	Very high	88.6	Confident	64 Å²	64	55.2 Å²	55.2	45%	0.448	28%	0.282	S	S	.	.	S	Bend	trans	-89.9	158.3	175.9	-58.5	0	0	0	0	112.4	K503 Y648 P649	K503-S651 WeakPolarHBondContact CA-O 3.28Å; K503-S651 WeakPolarHBondContact CB-O 3.31Å; K503-S651 WeakPolarHBondContact CG-O 3.39Å; Y648-S651 WeakPolarHBondContact O-CB 3.36Å; Y648-S651 PolarHBondContact O-N 2.78Å; P649-S651 PolarHBondContact O-N 3.45Å
652	W	92.3	Very high	87.9	Confident	105 Å²	105	57.8 Å²	57.8	40%	0.398	30%	0.301	S	S	.	.			trans	-89.6	119.2	169.2	-72.6	108.7	0	0	0	110.2	S501 K503 Q528 W530 T580	S501-W652 WeakPolarHBondContact O-CZ3 3.47Å; K503-W652 HydrophobicContact CB-CD2 3.64Å; K503-W652 HydrophobicContact CB-CE3 3.37Å; K503-W652 HydrophobicContact CB-CG 4.29Å; K503-W652 HydrophobicContact CB-CH2 4.12Å; K503-W652 HydrophobicContact CB-CZ2 4.34Å; K503-W652 HydrophobicContact CB-CZ3 3.63Å; K503-W652 HydrophobicContact CD-CD2 3.93Å; K503-W652 HydrophobicContact CD-CE3 4.48Å; K503-W652 HydrophobicContact CD-CG 4.23Å; K503-W652 HydrophobicContact CD-CZ2 4.09Å; K503-W652 HydrophobicContact CG-CD2 4.44Å; Q528-W652 HydrophobicContact CB-CH2 3.71Å; Q528-W652 HydrophobicContact CB-CZ3 4.13Å; W530-W652 HydrophobicContact CB-CH2 3.92Å; W530-W652 HydrophobicContact CB-CZ3 3.81Å; T580-W652 HydrophobicContact CG2-CH2 4.35Å
653	A	93	Very high	87.2	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.033	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.8	166	0	0	0	0	0	108.7	S501 L502 L641 K644 M645	S501-A653 CarbonylContact C-O 3.53Å; S501-A653 VanDerWaalsContact CA-O 3.31Å; S501-A653 WeakPolarHBondContact CA-O 3.4Å; L502-A653 PolarHBondContact N-O 3.44Å; L502-A653 PolarHBondContact O-N 3.25Å; L641-A653 HydrophobicContact CD1-CB 4.08Å; L641-A653 WeakPolarHBondContact CD1-O 3.39Å; K644-A653 HydrophobicContact CB-CB 4.04Å; K644-A653 HydrophobicContact CD-CB 4.04Å; K644-A653 HydrophobicContact CG-CB 3.83Å; M645-A653 HydrophobicContact CB-CB 4.03Å
654	E	93.7	Very high	86	Confident	93 Å²	93	58.2 Å²	58.2	44%	0.435	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.9	177	-179.3	162.9	-176	0	0	112.1	V500 K532 L641	V500-E654 WeakPolarHBondContact O-CA 3.37Å; K532-E654 WeakPolarHBondContact CE-OE1 3.37Å; K532-E654 IonicContact NZ-OE1 2.79Å; K532-E654 PolarHBondContact NZ-OE1 3.18Å; K532-E654 IonicContact NZ-OE2 2.72Å; K532-E654 PolarHBondContact NZ-OE2 2.75Å; L641-E654 VanDerWaalsContact CD1-C 3.43Å; L641-E654 WeakPolarHBondContact CD1-O 3.31Å
655	G	90.5	Very high	84.2	Confident	18 Å²	18	59.4 Å²	59.4	19%	0.186	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	146.6	172.5	0	0	0	0	0	113.1	V500	V500-G655 PolarHBondContact N-O 3.43Å; V500-G655 PolarHBondContact O-N 2.91Å
656	T	92.4	Very high	81.9	Confident	59 Å²	59	66.3 Å²	66.3	36%	0.362	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.9	161	-55.2	0	0	0	0	108.1	E497 V499	E497-T656 HydrophobicContact CB-CG2 3.87Å; E497-T656 HydrophobicContact CG-CG2 4.14Å; V499-T656 HydrophobicContact CG2-CG2 4.25Å
657	L	90.9	Very high	79.4	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.01	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.8	-179.5	-56	166	0	0	0	109.9	E497 L498 V500 V615 L617 E637 E638 L641	E497-L657 CarbonylContact C-O 3.55Å; E497-L657 WeakPolarHBondContact CA-O 3.47Å; L498-L657 PolarHBondContact N-O 2.79Å; L498-L657 PolarHBondContact O-N 2.72Å; V500-L657 HydrophobicContact CG2-CD1 3.78Å; V615-L657 HydrophobicContact CB-CD1 4.42Å; V615-L657 HydrophobicContact CG1-CB 3.89Å; V615-L657 HydrophobicContact CG2-CD1 3.96Å; L617-L657 HydrophobicContact CD1-CD1 3.87Å; L617-L657 HydrophobicContact CD2-CD1 3.75Å; L617-L657 HydrophobicContact CD2-CD2 4.21Å; L617-L657 HydrophobicContact CG-CD1 4.1Å; E637-L657 HydrophobicContact CB-CD2 4.1Å; E638-L657 HydrophobicContact CG-CD2 4.23Å; L641-L657 HydrophobicContact CD2-CD1 4Å; L641-L657 HydrophobicContact CD2-CD2 4.05Å; L641-L657 HydrophobicContact CD2-CG 4.22Å
658	Q	87.6	Confident	76.9	Confident	88 Å²	88	75 Å²	75	41%	0.411	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.8	178.1	-62.3	-176.5	-17.7	0	0	111.6	H494 V615 R660	H494-Q658 VanDerWaalsContact CE1-CD 3.42Å; H494-Q658 PolarHBondContact CE1-NE2 2.92Å; H494-Q658 PolarHBondContact CE1-OE1 3.29Å; H494-Q658 PolarHBondContact ND1-OE1 3.18Å; H494-Q658 VanDerWaalsContact ND1-OE1 3.09Å; V615-Q658 WeakPolarHBondContact CG1-O 3.22Å; Q658-R660 PolarHBondContact O-N 2.82Å
659	L	85.6	Confident	74.1	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.026	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-75.2	116.3	-178.1	-69.9	177.3	0	0	0	111.7	G496 L498 L537 V600 V615	G496-L659 WeakPolarHBondContact O-CB 3.46Å; G496-L659 PolarHBondContact O-N 3.2Å; L498-L659 HydrophobicContact CB-CD2 3.86Å; L498-L659 HydrophobicContact CB-CG 4.36Å; L498-L659 HydrophobicContact CD2-CD2 4.49Å; L537-L659 HydrophobicContact CD2-CD1 3.43Å; L537-L659 VanDerWaalsContact CD2-CD1 3.43Å; V600-L659 HydrophobicContact CB-CD1 4.43Å; V600-L659 HydrophobicContact CG2-CD1 3.97Å; V600-L659 HydrophobicContact CG2-CD2 3.76Å; V615-L659 HydrophobicContact CG1-CD2 4.29Å
660	R	84.6	Confident	71.4	Confident	44 Å²	44	81.2 Å²	81.2	17%	0.166	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-61.2	136.8	171.8	-57.2	160.2	168.3	-116.7	1.5	109.9	G613 G614 D633 E638 Q658 S662 M663	G613-R660 VanDerWaalsContact CA-O 3.24Å; G613-R660 WeakPolarHBondContact CA-O 3.47Å; G614-R660 PolarHBondContact N-O 2.92Å; G614-R660 WeakPolarHBondContact O-CB 3.25Å; G614-R660 WeakPolarHBondContact O-CD 3.15Å; G614-R660 VanDerWaalsContact O-CG 3.28Å; G614-R660 WeakPolarHBondContact O-CG 3.48Å; G614-R660 PolarHBondContact O-N 2.94Å; D633-R660 PolarHBondContact O-NH2 3.22Å; D633-R660 IonicContact OD2-CZ 2.69Å; D633-R660 IonicContact OD2-NH1 3.98Å; D633-R660 PolarHBondContact OD2-NH1 3.47Å; D633-R660 IonicContact OD2-NH2 2.66Å; E638-R660 IonicContact OE1-CZ 3.92Å; E638-R660 IonicContact OE1-NE 2.79Å; E638-R660 PolarHBondContact OE1-NE 3.08Å; E638-R660 IonicContact OE1-NH2 3.09Å; E638-R660 PolarHBondContact OE1-NH2 3.41Å; E638-R660 IonicContact OE2-CZ 2.63Å; E638-R660 IonicContact OE2-NE 2.8Å; E638-R660 IonicContact OE2-NH2 2.67Å; E638-R660 PolarHBondContact OE2-NH2 3.15Å; Q658-R660 PolarHBondContact O-N 2.82Å; R660-S662 PolarHBondContact O-N 3.36Å; R660-M663 HydrophobicContact CB-SD 4.21Å
661	S	70	Confident	70.7	Confident	73 Å²	73	83.6 Å²	83.6	51%	0.51	46%	0.457	S	S	.	.	S	Bend	trans	-69.7	-17.5	179	60.7	0	0	0	0	114
662	S	75.6	Confident	69.6	Low	63 Å²	63	84.6 Å²	84.6	44%	0.441	46%	0.458	S	S	.	.			trans	-154	155.2	177.4	-175.6	0	0	0	0	110.7	R660 A664	R660-S662 PolarHBondContact O-N 3.36Å; S662-A664 WeakPolarHBondContact OG-CB 3.06Å; S662-A664 PolarHBondContact OG-N 3.09Å
663	M	76.9	Confident	68.4	Low	27 Å²	27	83.4 Å²	83.4	13%	0.133	46%	0.461	C	S	.	.			trans	-106.5	18.2	172	-50.7	-51.1	-63.1	0	0	112.5	T599 F611 G614 R616 R660	T599-M663 HydrophobicContact CG2-CG 4.14Å; F611-M663 HydrophobicContact CE2-CG 4.19Å; F611-M663 HydrophobicContact CZ-CG 3.7Å; F611-M663 HydrophobicContact CZ-SD 4.1Å; G614-M663 VanDerWaalsContact C-SD 3.56Å; R616-M663 HydrophobicContact CB-CE 4.5Å; R616-M663 HydrophobicContact CG-CE 3.64Å; R616-M663 PolarHBondContact NH2-O 2.7Å; R660-M663 HydrophobicContact CB-SD 4.21Å
664	A	64.1	Low	66.9	Low	64 Å²	64	88.1 Å²	88.1	53%	0.529	49%	0.486	S	S	.	.	S	Bend	trans	-85	151.4	178.3	0	0	0	0	0	111.7	S662 Q666	S662-A664 WeakPolarHBondContact OG-CB 3.06Å; S662-A664 PolarHBondContact OG-N 3.09Å; A664-Q666 PolarHBondContact O-N 3.07Å; A664-Q666 VanDerWaalsContact O-N 3.14Å
665	K	53.5	Low	65.2	Low	129 Å²	129	87.8 Å²	87.8	56%	0.561	49%	0.489	S	S	*	.			trans	-56.8	115.3	-178.9	-179.1	169.1	-177	167.1	0	111.8	D630 K667	D630-K665 HydrophobicContact CB-CB 4.28Å; D630-K665 HydrophobicContact CB-CD 4.46Å; K665-K667 PolarHBondContact O-N 2.77Å
666	Q	44.6	Very low	63.6	Low	145 Å²	145	92.5 Å²	92.5	68%	0.678	51%	0.509	S	S	*	.			trans	-61.8	124.2	163.4	-71.7	179.2	-33	0	0	109.1	A664 L668	A664-Q666 PolarHBondContact O-N 3.07Å; A664-Q666 VanDerWaalsContact O-N 3.14Å; Q666-L668 PolarHBondContact O-N 3.43Å
667	K	36.2	Very low	61.5	Low	195 Å²	195	94.9 Å²	94.9	85%	0.848	52%	0.52	S	S	*	.			trans	-83.7	101	159.5	-80.7	-173.4	174.2	-176	0	107	K665 G669	K665-K667 PolarHBondContact O-N 2.77Å; K667-G669 PolarHBondContact O-N 3Å
668	L	33.3	Very low	59.2	Low	164 Å²	164	102 Å²	102	86%	0.859	56%	0.559	S	S	*	*			trans	-57.6	123.4	156.8	-77.8	160.6	0	0	0	107.4	Q666	Q666-L668 PolarHBondContact O-N 3.43Å
669	G	30.5	Very low	56.9	Low	76 Å²	76	103.2 Å²	103.2	78%	0.784	57%	0.572	S	S	*	*			trans	-72.4	141.3	173.4	0	0	0	0	0	110.7	K667	K667-G669 PolarHBondContact O-N 3Å
670	L	27.5	Very low	54.3	Low	253 Å²	253	112.1 Å²	112.1	100%	1.325	62%	0.621	S	S	*	*			trans	-110.8	0	157.8	-81.8	165.8	0	0	0	107

Retrieved 670 of 670 residues in 129.4 ms (Link to these results)

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