A0A096NRY3_PAPAN Loading...

Zinc finger protein 84

May be involved in transcriptional regulation.

AlphaFold DB (A0A1D5RDM0), UniProt , Accession A0A096NRY3, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF84, Length 738 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36	Very low	48.6	Very low	242 Å²	242	130.6 Å²	130.6	100%	1.192	68%	0.683	S	S	*	*				0	118.7	0	-158.3	166.2	-170.8	0	0	106.8
2	T	33.5	Very low	50.5	Low	135 Å²	135	127.8 Å²	127.8	83%	0.828	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-77.6	123.4	-177.9	30	0	0	0	0	110.2	L4	T2-L4 PolarHBondContact O-N 2.93Å
3	M	31.8	Very low	51.8	Low	183 Å²	183	122.5 Å²	122.5	90%	0.901	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-75	116.8	161.7	-70.6	-65.9	-174.3	0	0	107.4	Q5	M3-Q5 PolarHBondContact O-N 2.99Å
4	L	35.4	Very low	53.3	Low	164 Å²	164	115.3 Å²	115.3	86%	0.859	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-70.9	116.8	161.6	-77.4	164.9	0	0	0	106.8	T2 E6	T2-L4 PolarHBondContact O-N 2.93Å; L4-E6 PolarHBondContact O-N 3.43Å
5	Q	39	Very low	54.6	Low	164 Å²	164	113.4 Å²	113.4	77%	0.766	60%	0.601	S	S	*	*			trans	-81.5	109.1	170.5	-179	173.5	-16.7	0	0	107.4	M3 S7	M3-Q5 PolarHBondContact O-N 2.99Å; Q5-S7 PolarHBondContact O-N 2.99Å
6	E	44.5	Very low	55.7	Low	180 Å²	180	112 Å²	112	84%	0.841	59%	0.594	S	S	*	*			trans	-59.4	135.7	175.7	-67.7	173.9	141.8	0	0	110	L4 F8	L4-E6 PolarHBondContact O-N 3.43Å; E6-F8 PolarHBondContact O-N 3.15Å
7	S	50.5	Low	56.8	Low	113 Å²	113	108.7 Å²	108.7	79%	0.79	57%	0.573	S	S	*	*			trans	-80.1	83.6	-174	54	0	0	0	0	110.7	Q5 S9	Q5-S7 PolarHBondContact O-N 2.99Å; S7-S9 PolarHBondContact O-N 3.36Å
8	F	54.7	Low	57.7	Low	95 Å²	95	106.9 Å²	106.9	42%	0.417	57%	0.568	S	S	.	*			trans	-57.4	125.4	177.1	-157.9	-103.3	0	0	0	111.4	E6 D12 L13 L44 Y49	E6-F8 PolarHBondContact O-N 3.15Å; F8-D12 HydrophobicContact CD2-CB 4.31Å; F8-D12 HydrophobicContact CE2-CB 3.94Å; F8-D12 HydrophobicContact CZ-CB 4.07Å; F8-L13 HydrophobicContact CE1-CD1 3.82Å; F8-L13 HydrophobicContact CE1-CD2 4.22Å; F8-L13 HydrophobicContact CE1-CG 3.76Å; F8-L13 HydrophobicContact CZ-CD1 4.37Å; F8-L13 HydrophobicContact CZ-CD2 3.92Å; F8-L13 HydrophobicContact CZ-CG 3.9Å; F8-L44 HydrophobicContact CD1-CD2 3.88Å; F8-L44 HydrophobicContact CE1-CD2 4.1Å; F8-Y49 HydrophobicContact CB-CE1 3.99Å
9	S	67.1	Low	58.2	Low	37 Å²	37	106.8 Å²	106.8	26%	0.259	56%	0.563	S	S	.	*			trans	-107.7	-178.6	-172.2	75	0	0	0	0	112.5	S7 D11 D12	S7-S9 PolarHBondContact O-N 3.36Å; S9-D11 PolarHBondContact OG-N 3.12Å; S9-D12 WeakPolarHBondContact CA-OD2 3.28Å; S9-D12 VanDerWaalsContact CB-OD2 3.31Å; S9-D12 WeakPolarHBondContact CB-OD2 3.25Å; S9-D12 PolarHBondContact N-OD2 3.15Å; S9-D12 PolarHBondContact OG-N 3.07Å; S9-D12 PolarHBondContact OG-OD2 3.48Å
10	F	71.4	Confident	58.5	Low	8 Å²	8	110.2 Å²	110.2	4%	0.035	57%	0.573	C	S	.	*	S	Bend	trans	-74.8	-33	167.6	179.8	-93.2	0	0	0	111.7	D12 L13 S14 M37 Y41 L44 V51 P54 I57	F10-D12 PolarHBondContact O-N 3.04Å; F10-L13 CarbonylContact O-C 3.55Å; F10-L13 WeakPolarHBondContact O-CA 3.39Å; F10-L13 PolarHBondContact O-N 3.19Å; F10-S14 PolarHBondContact O-N 2.88Å; F10-M37 HydrophobicContact CZ-SD 4.12Å; F10-Y41 HydrophobicContact CD2-CD2 4.25Å; F10-L44 HydrophobicContact CB-CD1 4.19Å; F10-L44 HydrophobicContact CD2-CD1 3.92Å; F10-V51 HydrophobicContact CB-CG1 4.07Å; F10-P54 HydrophobicContact CB-CG 4.01Å; F10-P54 HydrophobicContact CD1-CB 4.02Å; F10-P54 HydrophobicContact CD1-CG 3.48Å; F10-P54 VanDerWaalsContact CD1-CG 3.48Å; F10-P54 HydrophobicContact CD2-CG 4.13Å; F10-P54 HydrophobicContact CE1-CB 4.22Å; F10-P54 HydrophobicContact CE1-CG 3.97Å; F10-P54 HydrophobicContact CG-CG 3.58Å; F10-I57 HydrophobicContact CE1-CG1 4.36Å; F10-I57 HydrophobicContact CE2-CD1 3.96Å; F10-I57 HydrophobicContact CE2-CG1 4.02Å; F10-I57 HydrophobicContact CZ-CD1 3.68Å; F10-I57 HydrophobicContact CZ-CG1 3.76Å
11	D	70.4	Confident	59.2	Low	116 Å²	116	109.5 Å²	109.5	62%	0.62	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-20.4	-174	-46.2	-25.1	0	0	0	111.4	S9 L13 S14	S9-D11 PolarHBondContact OG-N 3.12Å; D11-L13 PolarHBondContact O-N 3.35Å; D11-S14 PolarHBondContact O-OG 3.46Å
12	D	71.4	Confident	61.2	Low	97 Å²	97	98.3 Å²	98.3	52%	0.519	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.8	166.9	-61.8	-68.6	0	0	0	113.5	F8 S9 F10	F8-D12 HydrophobicContact CD2-CB 4.31Å; F8-D12 HydrophobicContact CE2-CB 3.94Å; F8-D12 HydrophobicContact CZ-CB 4.07Å; S9-D12 WeakPolarHBondContact CA-OD2 3.28Å; S9-D12 VanDerWaalsContact CB-OD2 3.31Å; S9-D12 WeakPolarHBondContact CB-OD2 3.25Å; S9-D12 PolarHBondContact N-OD2 3.15Å; S9-D12 PolarHBondContact OG-N 3.07Å; S9-D12 PolarHBondContact OG-OD2 3.48Å; F10-D12 PolarHBondContact O-N 3.04Å
13	L	67.9	Low	63	Low	59 Å²	59	97.1 Å²	97.1	31%	0.309	50%	0.496	S	S	.	.	S	Bend	trans	-126.2	1.1	179.2	-68.7	-172.5	0	0	0	114	F8 F10 D11 N40 L44	F8-L13 HydrophobicContact CE1-CD1 3.82Å; F8-L13 HydrophobicContact CE1-CD2 4.22Å; F8-L13 HydrophobicContact CE1-CG 3.76Å; F8-L13 HydrophobicContact CZ-CD1 4.37Å; F8-L13 HydrophobicContact CZ-CD2 3.92Å; F8-L13 HydrophobicContact CZ-CG 3.9Å; F10-L13 CarbonylContact O-C 3.55Å; F10-L13 WeakPolarHBondContact O-CA 3.39Å; F10-L13 PolarHBondContact O-N 3.19Å; D11-L13 PolarHBondContact O-N 3.35Å; L13-N40 PolarHBondContact O-ND2 3Å; L13-N40 VanDerWaalsContact O-ND2 3.12Å; L13-L44 HydrophobicContact CD1-CD1 4.11Å; L13-L44 HydrophobicContact CD1-CD2 4.22Å; L13-L44 HydrophobicContact CD1-CG 4.15Å
14	S	72.9	Confident	64.9	Low	21 Å²	21	95.5 Å²	95.5	15%	0.147	49%	0.491	C	S	.	.			trans	-80.9	164	171.6	76.2	0	0	0	0	111.1	F10 D11 D16	F10-S14 PolarHBondContact O-N 2.88Å; D11-S14 PolarHBondContact O-OG 3.46Å; S14-D16 PolarHBondContact OG-OD2 3.43Å
15	V	71.9	Confident	66.7	Low	87 Å²	87	89.3 Å²	89.3	53%	0.527	46%	0.459	S	S	.	.			trans	-144.2	82.1	172.7	-178.7	0	0	0	0	106.8	F17 Y33 M37	V15-F17 HydrophobicContact CG1-CE2 4.28Å; V15-F17 HydrophobicContact CG1-CZ 4.41Å; V15-F17 WeakPolarHBondContact O-CD2 3.37Å; V15-Y33 HydrophobicContact CB-CE2 4.5Å; V15-Y33 VanDerWaalsContact O-CE2 3.23Å; V15-Y33 WeakPolarHBondContact O-CE2 3.4Å; V15-Y33 PolarHBondContact O-OH 2.94Å; V15-M37 HydrophobicContact CB-CE 3.85Å; V15-M37 HydrophobicContact CG2-CE 4.01Å; V15-M37 VanDerWaalsContact N-CE 3.28Å
16	D	73.1	Confident	68.3	Low	91 Å²	91	84.5 Å²	84.5	49%	0.487	44%	0.438	S	S	.	.			trans	-72.6	139.3	-173.6	-61	-66.4	0	0	0	111.9	S14	S14-D16 PolarHBondContact OG-OD2 3.43Å
17	F	73.8	Confident	69.4	Low	56 Å²	56	80.8 Å²	80.8	25%	0.246	43%	0.43	C	S	.	.			trans	-112.2	135.3	-179.4	-75.7	-82	0	0	0	110.8	V15 E21 W22 L25 Y33	V15-F17 HydrophobicContact CG1-CE2 4.28Å; V15-F17 HydrophobicContact CG1-CZ 4.41Å; V15-F17 WeakPolarHBondContact O-CD2 3.37Å; F17-E21 HydrophobicContact CD1-CB 3.89Å; F17-W22 HydrophobicContact CB-CB 4.27Å; F17-W22 HydrophobicContact CB-CE3 4.08Å; F17-W22 AromaticContact CD2-CE3 3.97Å; F17-W22 HydrophobicContact CD2-CE3 3.97Å; F17-W22 HydrophobicContact CD2-CZ3 4.18Å; F17-W22 HydrophobicContact CG-CE3 4.14Å; F17-L25 HydrophobicContact CD1-CD1 4.26Å; F17-L25 HydrophobicContact CD2-CD1 4.33Å; F17-L25 HydrophobicContact CE1-CD1 4.01Å; F17-L25 HydrophobicContact CE1-CD2 4.3Å; F17-L25 HydrophobicContact CE2-CD1 4.09Å; F17-L25 HydrophobicContact CG-CD1 4.41Å; F17-L25 HydrophobicContact CZ-CD1 3.92Å; F17-L25 HydrophobicContact CZ-CD2 4.47Å; F17-Y33 HydrophobicContact CD2-CD2 4.11Å; F17-Y33 AromaticContact CD2-CE2 3.79Å; F17-Y33 HydrophobicContact CD2-CE2 3.79Å; F17-Y33 AromaticContact CE2-CD2 3.62Å; F17-Y33 HydrophobicContact CE2-CD2 3.62Å; F17-Y33 AromaticContact CE2-CE2 3.63Å; F17-Y33 HydrophobicContact CE2-CE2 3.63Å; F17-Y33 HydrophobicContact CE2-CG 4.45Å
18	T	73.6	Confident	69.9	Low	77 Å²	77	79.2 Å²	79.2	47%	0.472	42%	0.419	S	S	.	.			trans	-67.6	157.3	165.6	67.4	0	0	0	0	110.3	K20 E21 W22	T18-K20 PolarHBondContact O-N 3.11Å; T18-K20 VanDerWaalsContact O-N 3.13Å; T18-E21 VanDerWaalsContact CB-OE2 3.29Å; T18-E21 WeakPolarHBondContact CB-OE2 3.21Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.49Å; T18-E21 PolarHBondContact N-OE2 2.86Å; T18-E21 PolarHBondContact O-N 3.08Å; T18-E21 VanDerWaalsContact O-N 3.11Å; T18-E21 VanDerWaalsContact OG1-CD 3.3Å; T18-E21 WeakPolarHBondContact OG1-CG 3.21Å; T18-E21 PolarHBondContact OG1-N 3.15Å; T18-E21 PolarHBondContact OG1-OE2 2.8Å; T18-W22 WeakPolarHBondContact O-CB 3.31Å; T18-W22 PolarHBondContact O-N 3.43Å
19	Q	67.3	Low	70.5	Confident	104 Å²	104	78.7 Å²	78.7	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-54.8	-34.5	177.7	-170.3	-176.7	40.4	0	0	112.5	Q23 W67	Q19-Q23 WeakPolarHBondContact O-CG 3.32Å; Q19-Q23 PolarHBondContact O-N 3.2Å; Q19-W67 HydrophobicContact CB-CB 4.43Å; Q19-W67 HydrophobicContact CB-CD2 4.09Å; Q19-W67 HydrophobicContact CB-CG 3.94Å; Q19-W67 HydrophobicContact CG-CD2 3.8Å; Q19-W67 HydrophobicContact CG-CE3 4.14Å; Q19-W67 HydrophobicContact CG-CG 4.18Å; Q19-W67 HydrophobicContact CG-CZ2 4.17Å; Q19-W67 HydrophobicContact CG-CZ3 4.45Å; Q19-W67 VanDerWaalsContact NE2-CZ2 3.27Å
20	K	64.9	Low	71.1	Confident	175 Å²	175	78.8 Å²	78.8	76%	0.761	41%	0.413	S	S	*	.	H	α-helix	trans	-70.1	-40	179.5	-69.9	171.8	-177	162.6	0	112.4	T18 L24	T18-K20 PolarHBondContact O-N 3.11Å; T18-K20 VanDerWaalsContact O-N 3.13Å; K20-L24 WeakPolarHBondContact O-CG 3.49Å
21	E	71.6	Confident	71.1	Confident	95 Å²	95	83.1 Å²	83.1	44%	0.444	44%	0.437	S	S	.	.	H	α-helix	trans	-73.7	-38.7	176.9	-65.1	159	131.9	0	0	111.3	F17 T18 Q23 L24	F17-E21 HydrophobicContact CD1-CB 3.89Å; T18-E21 VanDerWaalsContact CB-OE2 3.29Å; T18-E21 WeakPolarHBondContact CB-OE2 3.21Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.49Å; T18-E21 PolarHBondContact N-OE2 2.86Å; T18-E21 PolarHBondContact O-N 3.08Å; T18-E21 VanDerWaalsContact O-N 3.11Å; T18-E21 VanDerWaalsContact OG1-CD 3.3Å; T18-E21 WeakPolarHBondContact OG1-CG 3.21Å; T18-E21 PolarHBondContact OG1-N 3.15Å; T18-E21 PolarHBondContact OG1-OE2 2.8Å; E21-Q23 VanDerWaalsContact C-N 3.26Å; E21-Q23 PolarHBondContact O-N 3.39Å; E21-L24 WeakPolarHBondContact O-CB 3.48Å; E21-L24 PolarHBondContact O-N 3.3Å
22	W	78.8	Confident	71.1	Confident	8 Å²	8	82.8 Å²	82.8	3%	0.03	43%	0.434	C	S	.	.	H	α-helix	trans	-61	-33	177.2	-172.5	-101.1	0	0	0	112.9	F17 T18 L24 L25 K30 Y33 E65 P66 W67	F17-W22 HydrophobicContact CB-CB 4.27Å; F17-W22 HydrophobicContact CB-CE3 4.08Å; F17-W22 AromaticContact CD2-CE3 3.97Å; F17-W22 HydrophobicContact CD2-CE3 3.97Å; F17-W22 HydrophobicContact CD2-CZ3 4.18Å; F17-W22 HydrophobicContact CG-CE3 4.14Å; T18-W22 WeakPolarHBondContact O-CB 3.31Å; T18-W22 PolarHBondContact O-N 3.43Å; W22-L24 VanDerWaalsContact C-N 3.27Å; W22-L24 PolarHBondContact O-N 3.47Å; W22-L25 HydrophobicContact CD2-CD1 4.42Å; W22-L25 HydrophobicContact CE3-CD1 3.66Å; W22-L25 HydrophobicContact CZ3-CD1 3.88Å; W22-L25 PolarHBondContact O-N 2.87Å; W22-K30 HydrophobicContact CH2-CB 4.11Å; W22-K30 HydrophobicContact CH2-CG 4.01Å; W22-K30 HydrophobicContact CZ2-CB 4.02Å; W22-K30 HydrophobicContact CZ2-CD 3.83Å; W22-K30 HydrophobicContact CZ2-CG 3.73Å; W22-K30 WeakPolarHBondContact O-CE 3.45Å; W22-K30 PolarHBondContact O-NZ 2.86Å; W22-Y33 AromaticContact CH2-CD1 3.52Å; W22-Y33 HydrophobicContact CH2-CD1 3.52Å; W22-Y33 HydrophobicContact CH2-CE1 4.15Å; W22-Y33 HydrophobicContact CH2-CG 4.12Å; W22-Y33 AromaticContact CZ3-CD1 3.43Å; W22-Y33 HydrophobicContact CZ3-CD1 3.43Å; W22-Y33 VanDerWaalsContact CZ3-CD1 3.43Å; W22-Y33 HydrophobicContact CZ3-CD2 4.48Å; W22-Y33 AromaticContact CZ3-CE1 3.84Å; W22-Y33 HydrophobicContact CZ3-CE1 3.84Å; W22-Y33 AromaticContact CZ3-CG 3.78Å; W22-Y33 HydrophobicContact CZ3-CG 3.78Å; W22-E65 VanDerWaalsContact NE1-CD 3.34Å; W22-E65 PolarHBondContact NE1-OE1 3.16Å; W22-P66 HydrophobicContact CD2-CG 4.26Å; W22-P66 HydrophobicContact CE3-CG 4.16Å; W22-P66 HydrophobicContact CH2-CG 3.92Å; W22-P66 HydrophobicContact CZ2-CG 3.99Å; W22-P66 HydrophobicContact CZ3-CG 4Å; W22-W67 HydrophobicContact CB-CE3 4.49Å; W22-W67 AromaticContact CD1-CE3 3.61Å; W22-W67 AromaticContact CD1-CZ3 3.69Å; W22-W67 HydrophobicContact CG-CE3 4.17Å
23	Q	70.1	Confident	71.8	Confident	109 Å²	109	79.1 Å²	79.1	51%	0.509	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.7	174.1	-64.3	-58.8	-16.9	0	0	114.3	Q19 E21	Q19-Q23 WeakPolarHBondContact O-CG 3.32Å; Q19-Q23 PolarHBondContact O-N 3.2Å; E21-Q23 VanDerWaalsContact C-N 3.26Å; E21-Q23 PolarHBondContact O-N 3.39Å
24	L	73.6	Confident	72.3	Confident	149 Å²	149	79.3 Å²	79.3	78%	0.78	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-9.2	173.2	-64.1	171.7	0	0	0	113.1	K20 E21 W22	K20-L24 WeakPolarHBondContact O-CG 3.49Å; E21-L24 WeakPolarHBondContact O-CB 3.48Å; E21-L24 PolarHBondContact O-N 3.3Å; W22-L24 VanDerWaalsContact C-N 3.27Å; W22-L24 PolarHBondContact O-N 3.47Å
25	L	72.4	Confident	72.3	Confident	35 Å²	35	83.2 Å²	83.2	18%	0.183	43%	0.431	C	S	.	.	S	Bend	trans	-81.6	133	177.6	-61.5	179.7	0	0	0	111.6	F17 W22 Q29 K30	F17-L25 HydrophobicContact CD1-CD1 4.26Å; F17-L25 HydrophobicContact CD2-CD1 4.33Å; F17-L25 HydrophobicContact CE1-CD1 4.01Å; F17-L25 HydrophobicContact CE1-CD2 4.3Å; F17-L25 HydrophobicContact CE2-CD1 4.09Å; F17-L25 HydrophobicContact CG-CD1 4.41Å; F17-L25 HydrophobicContact CZ-CD1 3.92Å; F17-L25 HydrophobicContact CZ-CD2 4.47Å; W22-L25 HydrophobicContact CD2-CD1 4.42Å; W22-L25 HydrophobicContact CE3-CD1 3.66Å; W22-L25 HydrophobicContact CZ3-CD1 3.88Å; W22-L25 PolarHBondContact O-N 2.87Å; L25-Q29 HydrophobicContact CB-CB 4.19Å; L25-Q29 HydrophobicContact CD2-CB 4.41Å; L25-Q29 VanDerWaalsContact CD2-OE1 3.31Å; L25-K30 HydrophobicContact CB-CG 3.88Å
26	D	72.1	Confident	72.6	Confident	63 Å²	63	81.7 Å²	81.7	34%	0.337	42%	0.422	S	S	.	.			trans	-71.7	161.6	174.7	81.1	58.4	0	0	0	112.2	S28 Q29 K30	D26-S28 PolarHBondContact O-N 3.18Å; D26-S28 VanDerWaalsContact O-N 3.16Å; D26-S28 WeakPolarHBondContact OD1-CA 3.37Å; D26-S28 VanDerWaalsContact OD1-CB 3.27Å; D26-S28 WeakPolarHBondContact OD1-CB 3.26Å; D26-S28 PolarHBondContact OD1-N 3.48Å; D26-S28 PolarHBondContact OD1-OG 3.32Å; D26-Q29 WeakPolarHBondContact O-CB 3.43Å; D26-Q29 PolarHBondContact O-N 3.37Å; D26-Q29 PolarHBondContact OD1-N 2.89Å; D26-Q29 VanDerWaalsContact OD1-N 3.08Å; D26-Q29 VanDerWaalsContact OD2-CG 3.32Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.31Å; D26-Q29 PolarHBondContact OD2-NE2 2.79Å; D26-K30 PolarHBondContact O-N 3.27Å
27	P	67.1	Low	73	Confident	102 Å²	102	77.6 Å²	77.6	66%	0.662	40%	0.4	S	S	*	.	H	α-helix	trans	-59.6	-27.6	-176.8	-26.3	36	0	0	0	115	N31	P27-N31 WeakPolarHBondContact O-CB 3.44Å; P27-N31 VanDerWaalsContact O-CG 3.26Å; P27-N31 PolarHBondContact O-N 3.47Å; P27-N31 VanDerWaalsContact O-N 3.14Å; P27-N31 PolarHBondContact O-ND2 3.22Å; P27-N31 VanDerWaalsContact O-ND2 3.1Å
28	S	62.3	Low	73.2	Confident	80 Å²	80	77 Å²	77	56%	0.559	40%	0.399	S	S	*	.	H	α-helix	trans	-75.1	-35.8	174.9	77.5	0	0	0	0	111.7	D26 L32	D26-S28 PolarHBondContact O-N 3.18Å; D26-S28 VanDerWaalsContact O-N 3.16Å; D26-S28 WeakPolarHBondContact OD1-CA 3.37Å; D26-S28 VanDerWaalsContact OD1-CB 3.27Å; D26-S28 WeakPolarHBondContact OD1-CB 3.26Å; D26-S28 PolarHBondContact OD1-N 3.48Å; D26-S28 PolarHBondContact OD1-OG 3.32Å; S28-L32 WeakPolarHBondContact O-CB 3.49Å; S28-L32 PolarHBondContact O-N 2.84Å
29	Q	67.1	Low	73.5	Confident	84 Å²	84	79.8 Å²	79.8	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-43	173.5	-64.9	170.6	10.7	0	0	111.7	L25 D26 N31 L32 Y33	L25-Q29 HydrophobicContact CB-CB 4.19Å; L25-Q29 HydrophobicContact CD2-CB 4.41Å; L25-Q29 VanDerWaalsContact CD2-OE1 3.31Å; D26-Q29 WeakPolarHBondContact O-CB 3.43Å; D26-Q29 PolarHBondContact O-N 3.37Å; D26-Q29 PolarHBondContact OD1-N 2.89Å; D26-Q29 VanDerWaalsContact OD1-N 3.08Å; D26-Q29 VanDerWaalsContact OD2-CG 3.32Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.31Å; D26-Q29 PolarHBondContact OD2-NE2 2.79Å; Q29-N31 PolarHBondContact O-N 3.02Å; Q29-L32 PolarHBondContact O-N 3.24Å; Q29-Y33 WeakPolarHBondContact O-CB 3.35Å; Q29-Y33 PolarHBondContact O-N 2.83Å
30	K	78.8	Confident	74	Confident	38 Å²	38	76.7 Å²	76.7	17%	0.165	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-41	174.4	-71.2	-170.9	173.4	-172.3	0	112.3	W22 L25 D26 K34 E65	W22-K30 HydrophobicContact CH2-CB 4.11Å; W22-K30 HydrophobicContact CH2-CG 4.01Å; W22-K30 HydrophobicContact CZ2-CB 4.02Å; W22-K30 HydrophobicContact CZ2-CD 3.83Å; W22-K30 HydrophobicContact CZ2-CG 3.73Å; W22-K30 WeakPolarHBondContact O-CE 3.45Å; W22-K30 PolarHBondContact O-NZ 2.86Å; L25-K30 HydrophobicContact CB-CG 3.88Å; D26-K30 PolarHBondContact O-N 3.27Å; K30-K34 PolarHBondContact O-N 3.44Å; K30-K34 VanDerWaalsContact O-N 3.15Å; K30-E65 IonicContact NZ-OE1 3.2Å; K30-E65 PolarHBondContact NZ-OE1 3.17Å
31	N	71.6	Confident	74.6	Confident	100 Å²	100	70.3 Å²	70.3	54%	0.535	37%	0.365	S	S	.	.	H	α-helix	trans	-67.3	-45.1	174.6	-74.9	-28.9	0	0	0	112	P27 Q29 Y33 K34 D35	P27-N31 WeakPolarHBondContact O-CB 3.44Å; P27-N31 VanDerWaalsContact O-CG 3.26Å; P27-N31 PolarHBondContact O-N 3.47Å; P27-N31 VanDerWaalsContact O-N 3.14Å; P27-N31 PolarHBondContact O-ND2 3.22Å; P27-N31 VanDerWaalsContact O-ND2 3.1Å; Q29-N31 PolarHBondContact O-N 3.02Å; N31-Y33 VanDerWaalsContact C-N 3.29Å; N31-Y33 PolarHBondContact O-N 2.61Å; N31-K34 WeakPolarHBondContact O-CB 3.4Å; N31-K34 PolarHBondContact O-N 3.18Å; N31-K34 VanDerWaalsContact O-N 3.14Å; N31-D35 PolarHBondContact O-N 3.39Å
32	L	71.9	Confident	74.7	Confident	109 Å²	109	68.9 Å²	68.9	57%	0.571	37%	0.366	S	S	*	.	H	α-helix	trans	-59.7	-39.6	176.2	179.3	62.7	0	0	0	111.9	S28 Q29 D35 V36	S28-L32 WeakPolarHBondContact O-CB 3.49Å; S28-L32 PolarHBondContact O-N 2.84Å; Q29-L32 PolarHBondContact O-N 3.24Å; L32-D35 PolarHBondContact O-N 3.29Å; L32-V36 HydrophobicContact CD1-CG2 3.99Å; L32-V36 HydrophobicContact CG-CG2 4.36Å; L32-V36 WeakPolarHBondContact O-CB 3.28Å; L32-V36 VanDerWaalsContact O-CG2 3.25Å; L32-V36 WeakPolarHBondContact O-CG2 3.36Å; L32-V36 PolarHBondContact O-N 3.47Å
33	Y	84.4	Confident	74.4	Confident	20 Å²	20	70.9 Å²	70.9	8%	0.078	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-48.3	173.5	177.7	-96.9	0	0	0	111.9	V15 F17 W22 Q29 N31 V36 M37 L60 P66	V15-Y33 HydrophobicContact CB-CE2 4.5Å; V15-Y33 VanDerWaalsContact O-CE2 3.23Å; V15-Y33 WeakPolarHBondContact O-CE2 3.4Å; V15-Y33 PolarHBondContact O-OH 2.94Å; F17-Y33 HydrophobicContact CD2-CD2 4.11Å; F17-Y33 AromaticContact CD2-CE2 3.79Å; F17-Y33 HydrophobicContact CD2-CE2 3.79Å; F17-Y33 AromaticContact CE2-CD2 3.62Å; F17-Y33 HydrophobicContact CE2-CD2 3.62Å; F17-Y33 AromaticContact CE2-CE2 3.63Å; F17-Y33 HydrophobicContact CE2-CE2 3.63Å; F17-Y33 HydrophobicContact CE2-CG 4.45Å; W22-Y33 AromaticContact CH2-CD1 3.52Å; W22-Y33 HydrophobicContact CH2-CD1 3.52Å; W22-Y33 HydrophobicContact CH2-CE1 4.15Å; W22-Y33 HydrophobicContact CH2-CG 4.12Å; W22-Y33 AromaticContact CZ3-CD1 3.43Å; W22-Y33 HydrophobicContact CZ3-CD1 3.43Å; W22-Y33 VanDerWaalsContact CZ3-CD1 3.43Å; W22-Y33 HydrophobicContact CZ3-CD2 4.48Å; W22-Y33 AromaticContact CZ3-CE1 3.84Å; W22-Y33 HydrophobicContact CZ3-CE1 3.84Å; W22-Y33 AromaticContact CZ3-CG 3.78Å; W22-Y33 HydrophobicContact CZ3-CG 3.78Å; Q29-Y33 WeakPolarHBondContact O-CB 3.35Å; Q29-Y33 PolarHBondContact O-N 2.83Å; N31-Y33 VanDerWaalsContact C-N 3.29Å; N31-Y33 PolarHBondContact O-N 2.61Å; Y33-V36 PolarHBondContact O-N 3.38Å; Y33-M37 HydrophobicContact CD1-CG 4.36Å; Y33-M37 HydrophobicContact CD2-CE 4.15Å; Y33-M37 HydrophobicContact CD2-CG 4.21Å; Y33-M37 HydrophobicContact CE1-CG 3.99Å; Y33-M37 HydrophobicContact CE2-CE 3.54Å; Y33-M37 HydrophobicContact CE2-CG 3.82Å; Y33-M37 HydrophobicContact CE2-SD 4.44Å; Y33-M37 HydrophobicContact CG-CG 4.49Å; Y33-M37 WeakPolarHBondContact O-CB 3.36Å; Y33-M37 WeakPolarHBondContact O-CG 3.47Å; Y33-M37 PolarHBondContact O-N 2.91Å; Y33-L60 HydrophobicContact CD1-CD1 4.43Å; Y33-L60 HydrophobicContact CD1-CD2 4.43Å; Y33-L60 HydrophobicContact CE1-CD1 4.02Å; Y33-L60 HydrophobicContact CE1-CD2 4.43Å; Y33-P66 HydrophobicContact CE1-CG 4.05Å
34	K	78.6	Confident	74.4	Confident	62 Å²	62	65.9 Å²	65.9	27%	0.27	36%	0.357	S	S	.	.	H	α-helix	trans	-59	-48.3	177.3	174.3	164.7	168.5	161	0	111.5	K30 N31 M37 L38 L60	K30-K34 PolarHBondContact O-N 3.44Å; K30-K34 VanDerWaalsContact O-N 3.15Å; N31-K34 WeakPolarHBondContact O-CB 3.4Å; N31-K34 PolarHBondContact O-N 3.18Å; N31-K34 VanDerWaalsContact O-N 3.14Å; K34-M37 PolarHBondContact O-N 3.14Å; K34-L38 HydrophobicContact CG-CD1 3.8Å; K34-L38 WeakPolarHBondContact O-CB 3.35Å; K34-L38 WeakPolarHBondContact O-CD1 3.5Å; K34-L38 WeakPolarHBondContact O-CG 3.44Å; K34-L38 PolarHBondContact O-N 2.85Å; K34-L60 HydrophobicContact CB-CD2 4.06Å; K34-L60 HydrophobicContact CD-CD2 4.37Å; K34-L60 WeakPolarHBondContact CE-O 3.32Å; K34-L60 HydrophobicContact CG-CB 4.46Å; K34-L60 HydrophobicContact CG-CD2 4.2Å; K34-L60 PolarHBondContact NZ-O 3.34Å
35	D	73.8	Confident	74.1	Confident	103 Å²	103	62.1 Å²	62.1	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-62.8	-45.4	179.4	-72.3	-16.1	0	0	0	111.7	N31 L32 L38 E39	N31-D35 PolarHBondContact O-N 3.39Å; L32-D35 PolarHBondContact O-N 3.29Å; D35-L38 PolarHBondContact O-N 3.24Å; D35-E39 WeakPolarHBondContact O-CB 3.37Å; D35-E39 PolarHBondContact O-N 3.41Å
36	V	77.5	Confident	73.9	Confident	56 Å²	56	65.1 Å²	65.1	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-42.8	178.9	168	0	0	0	0	112.1	L32 Y33 E39 N40	L32-V36 HydrophobicContact CD1-CG2 3.99Å; L32-V36 HydrophobicContact CG-CG2 4.36Å; L32-V36 WeakPolarHBondContact O-CB 3.28Å; L32-V36 VanDerWaalsContact O-CG2 3.25Å; L32-V36 WeakPolarHBondContact O-CG2 3.36Å; L32-V36 PolarHBondContact O-N 3.47Å; Y33-V36 PolarHBondContact O-N 3.38Å; V36-E39 PolarHBondContact O-N 2.88Å; V36-N40 WeakPolarHBondContact O-CB 3.45Å; V36-N40 VanDerWaalsContact O-CG 3.25Å; V36-N40 PolarHBondContact O-N 3.46Å
37	M	82.4	Confident	73.6	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.02	38%	0.38	C	S	.	.	H	α-helix	trans	-68.7	-37	179.7	-69.6	-58.6	161.3	0	0	112	F10 V15 Y33 K34 Y41 I57 L60	F10-M37 HydrophobicContact CZ-SD 4.12Å; V15-M37 HydrophobicContact CB-CE 3.85Å; V15-M37 HydrophobicContact CG2-CE 4.01Å; V15-M37 VanDerWaalsContact N-CE 3.28Å; Y33-M37 HydrophobicContact CD1-CG 4.36Å; Y33-M37 HydrophobicContact CD2-CE 4.15Å; Y33-M37 HydrophobicContact CD2-CG 4.21Å; Y33-M37 HydrophobicContact CE1-CG 3.99Å; Y33-M37 HydrophobicContact CE2-CE 3.54Å; Y33-M37 HydrophobicContact CE2-CG 3.82Å; Y33-M37 HydrophobicContact CE2-SD 4.44Å; Y33-M37 HydrophobicContact CG-CG 4.49Å; Y33-M37 WeakPolarHBondContact O-CB 3.36Å; Y33-M37 WeakPolarHBondContact O-CG 3.47Å; Y33-M37 PolarHBondContact O-N 2.91Å; K34-M37 PolarHBondContact O-N 3.14Å; M37-Y41 WeakPolarHBondContact O-CB 3.46Å; M37-Y41 PolarHBondContact O-N 3.49Å; M37-I57 HydrophobicContact CB-CD1 3.91Å; M37-I57 VanDerWaalsContact O-CD1 3.28Å; M37-I57 WeakPolarHBondContact O-CD1 3.43Å; M37-L60 HydrophobicContact CB-CD1 3.93Å
38	L	77.6	Confident	72.9	Confident	44 Å²	44	66.5 Å²	66.5	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-68.2	-39.3	172.9	-67	171	0	0	0	112.1	K34 D35 S42 I57 E61	K34-L38 HydrophobicContact CG-CD1 3.8Å; K34-L38 WeakPolarHBondContact O-CB 3.35Å; K34-L38 WeakPolarHBondContact O-CD1 3.5Å; K34-L38 WeakPolarHBondContact O-CG 3.44Å; K34-L38 PolarHBondContact O-N 2.85Å; D35-L38 PolarHBondContact O-N 3.24Å; L38-S42 WeakPolarHBondContact O-CB 3.36Å; L38-S42 PolarHBondContact O-N 3.09Å; L38-I57 HydrophobicContact CD2-CD1 4.47Å; L38-I57 HydrophobicContact CD2-CG2 4.07Å; L38-E61 HydrophobicContact CD2-CG 3.84Å
39	E	79.1	Confident	73.1	Confident	135 Å²	135	66.5 Å²	66.5	63%	0.631	37%	0.369	S	S	*	.	H	α-helix	trans	-67.7	-38.5	174.6	-171.9	169.5	-159.5	0	0	112	D35 V36 S42 S43	D35-E39 WeakPolarHBondContact O-CB 3.37Å; D35-E39 PolarHBondContact O-N 3.41Å; V36-E39 PolarHBondContact O-N 2.88Å; E39-S42 PolarHBondContact O-N 2.97Å; E39-S43 WeakPolarHBondContact O-CB 3.4Å; E39-S43 PolarHBondContact O-N 2.89Å; E39-S43 PolarHBondContact O-OG 2.95Å
40	N	78.2	Confident	72.5	Confident	40 Å²	40	71.4 Å²	71.4	21%	0.214	39%	0.392	C	S	.	.	H	α-helix	trans	-62.9	-49.3	174.4	-77.4	-5.9	0	0	0	111.4	L13 V36 S43 L44	L13-N40 PolarHBondContact O-ND2 3Å; L13-N40 VanDerWaalsContact O-ND2 3.12Å; V36-N40 WeakPolarHBondContact O-CB 3.45Å; V36-N40 VanDerWaalsContact O-CG 3.25Å; V36-N40 PolarHBondContact O-N 3.46Å; N40-S43 PolarHBondContact O-N 3.42Å; N40-L44 PolarHBondContact O-N 2.9Å
41	Y	77.9	Confident	71.7	Confident	40 Å²	40	71 Å²	71	16%	0.157	39%	0.393	C	S	.	.	H	α-helix	trans	-61.3	-46.5	176.1	179.5	-108.9	0	0	0	111.6	F10 M37 S43 L44 V45 V51 K53 I57	F10-Y41 HydrophobicContact CD2-CD2 4.25Å; M37-Y41 WeakPolarHBondContact O-CB 3.46Å; M37-Y41 PolarHBondContact O-N 3.49Å; Y41-S43 VanDerWaalsContact C-N 3.27Å; Y41-S43 PolarHBondContact O-N 3.41Å; Y41-L44 PolarHBondContact O-N 3.09Å; Y41-V45 HydrophobicContact CD2-CG2 4.44Å; Y41-V45 HydrophobicContact CE1-CG2 4.15Å; Y41-V45 HydrophobicContact CE2-CG2 3.99Å; Y41-V45 WeakPolarHBondContact O-CG2 3.41Å; Y41-V45 PolarHBondContact O-N 3.33Å; Y41-V51 HydrophobicContact CD2-CG1 4.34Å; Y41-V51 HydrophobicContact CE2-CB 4.3Å; Y41-V51 HydrophobicContact CE2-CG1 3.97Å; Y41-K53 HydrophobicContact CE1-CG 4.33Å; Y41-K53 HydrophobicContact CE2-CG 4.46Å; Y41-I57 HydrophobicContact CD1-CG2 3.89Å; Y41-I57 HydrophobicContact CD2-CG1 4.43Å; Y41-I57 HydrophobicContact CE1-CG2 4.34Å; Y41-I57 HydrophobicContact CG-CG1 4.2Å; Y41-I57 HydrophobicContact CG-CG2 4.09Å
42	S	73.8	Confident	71.3	Confident	66 Å²	66	74.3 Å²	74.3	46%	0.462	41%	0.407	S	S	.	.	H	α-helix	trans	-59.8	-37.7	176.4	-168.2	0	0	0	0	112.3	L38 E39 S46	L38-S42 WeakPolarHBondContact O-CB 3.36Å; L38-S42 PolarHBondContact O-N 3.09Å; E39-S42 PolarHBondContact O-N 2.97Å; S42-S46 WeakPolarHBondContact O-CB 3.47Å; S42-S46 PolarHBondContact O-N 3.39Å; S42-S46 PolarHBondContact O-OG 3.36Å
43	S	72.8	Confident	71.4	Confident	50 Å²	50	72.9 Å²	72.9	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-68.5	-45.2	177.2	-64.8	0	0	0	0	112.4	E39 N40 Y41 S46 L47	E39-S43 WeakPolarHBondContact O-CB 3.4Å; E39-S43 PolarHBondContact O-N 2.89Å; E39-S43 PolarHBondContact O-OG 2.95Å; N40-S43 PolarHBondContact O-N 3.42Å; Y41-S43 VanDerWaalsContact C-N 3.27Å; Y41-S43 PolarHBondContact O-N 3.41Å; S43-S46 CarbonylContact O-C 3.39Å; S43-S46 PolarHBondContact O-N 3.01Å; S43-L47 WeakPolarHBondContact O-CB 3.41Å; S43-L47 VanDerWaalsContact O-CG 3.26Å; S43-L47 WeakPolarHBondContact O-CG 3.36Å; S43-L47 PolarHBondContact O-N 3.23Å
44	L	69.4	Low	70.9	Confident	3 Å²	3	73 Å²	73	2%	0.016	40%	0.4	C	S	.	.	H	α-helix	trans	-61.8	-44.2	176.7	-74.6	168.6	0	0	0	111.9	F8 F10 L13 N40 Y41 S46 L47 G48 Y49 V51	F8-L44 HydrophobicContact CD1-CD2 3.88Å; F8-L44 HydrophobicContact CE1-CD2 4.1Å; F10-L44 HydrophobicContact CB-CD1 4.19Å; F10-L44 HydrophobicContact CD2-CD1 3.92Å; L13-L44 HydrophobicContact CD1-CD1 4.11Å; L13-L44 HydrophobicContact CD1-CD2 4.22Å; L13-L44 HydrophobicContact CD1-CG 4.15Å; N40-L44 PolarHBondContact O-N 2.9Å; Y41-L44 PolarHBondContact O-N 3.09Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-S46 PolarHBondContact O-N 3.37Å; L44-L47 PolarHBondContact O-N 3.35Å; L44-G48 PolarHBondContact O-N 2.95Å; L44-Y49 HydrophobicContact CD2-CD2 4.41Å; L44-Y49 PolarHBondContact O-N 3.21Å; L44-V51 HydrophobicContact CB-CG2 4.27Å
45	V	67.7	Low	70.7	Confident	71 Å²	71	76.2 Å²	76.2	43%	0.43	42%	0.42	S	S	.	.	H	α-helix	trans	-63.4	-40.4	174.1	174.3	0	0	0	0	111.1	Y41 L47 G48	Y41-V45 HydrophobicContact CD2-CG2 4.44Å; Y41-V45 HydrophobicContact CE1-CG2 4.15Å; Y41-V45 HydrophobicContact CE2-CG2 3.99Å; Y41-V45 WeakPolarHBondContact O-CG2 3.41Å; Y41-V45 PolarHBondContact O-N 3.33Å; V45-L47 VanDerWaalsContact C-N 3.27Å; V45-L47 PolarHBondContact O-N 3.45Å; V45-G48 PolarHBondContact O-N 3.1Å; V45-G48 VanDerWaalsContact O-N 3.1Å
46	S	67.6	Low	70.6	Confident	97 Å²	97	72.3 Å²	72.3	68%	0.678	40%	0.4	S	S	*	.	H	α-helix	trans	-69.3	-21.5	176.9	-61.7	0	0	0	0	113.9	S42 S43 L44 G48	S42-S46 WeakPolarHBondContact O-CB 3.47Å; S42-S46 PolarHBondContact O-N 3.39Å; S42-S46 PolarHBondContact O-OG 3.36Å; S43-S46 CarbonylContact O-C 3.39Å; S43-S46 PolarHBondContact O-N 3.01Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-S46 PolarHBondContact O-N 3.37Å; S46-G48 VanDerWaalsContact C-N 3.32Å
47	L	66.6	Low	70.7	Confident	129 Å²	129	69.7 Å²	69.7	68%	0.675	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.9	172.5	-71.1	167.8	0	0	0	113	S43 L44 V45 Y49	S43-L47 WeakPolarHBondContact O-CB 3.41Å; S43-L47 VanDerWaalsContact O-CG 3.26Å; S43-L47 WeakPolarHBondContact O-CG 3.36Å; S43-L47 PolarHBondContact O-N 3.23Å; L44-L47 PolarHBondContact O-N 3.35Å; V45-L47 VanDerWaalsContact C-N 3.27Å; V45-L47 PolarHBondContact O-N 3.45Å; L47-Y49 HydrophobicContact CB-CD2 3.84Å; L47-Y49 HydrophobicContact CB-CE2 3.91Å
48	G	53	Low	70.5	Confident	66 Å²	66	74.4 Å²	74.4	68%	0.68	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	14.6	173.3	0	0	0	0	0	115.6	L44 V45 S46	L44-G48 PolarHBondContact O-N 2.95Å; V45-G48 PolarHBondContact O-N 3.1Å; V45-G48 VanDerWaalsContact O-N 3.1Å; S46-G48 VanDerWaalsContact C-N 3.32Å
49	Y	66.4	Low	70.4	Confident	80 Å²	80	75.1 Å²	75.1	31%	0.314	41%	0.406	S	S	.	.			trans	-77.3	129.6	174.4	-68.9	-100.1	0	0	0	110.5	F8 L44 L47 V51	F8-Y49 HydrophobicContact CB-CE1 3.99Å; L44-Y49 HydrophobicContact CD2-CD2 4.41Å; L44-Y49 PolarHBondContact O-N 3.21Å; L47-Y49 HydrophobicContact CB-CD2 3.84Å; L47-Y49 HydrophobicContact CB-CE2 3.91Å; Y49-V51 PolarHBondContact O-N 3.36Å
50	E	54.5	Low	70.3	Confident	186 Å²	186	69 Å²	69	87%	0.869	38%	0.377	S	S	*	.			trans	-78.8	68.5	175.8	-116.4	-171.6	163.2	0	0	110.9
51	V	61.3	Low	70.1	Confident	31 Å²	31	71.6 Å²	71.6	19%	0.188	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-80.4	118.4	-180	-175.8	0	0	0	0	110.2	F10 Y41 L44 Y49 K53	F10-V51 HydrophobicContact CB-CG1 4.07Å; Y41-V51 HydrophobicContact CD2-CG1 4.34Å; Y41-V51 HydrophobicContact CE2-CB 4.3Å; Y41-V51 HydrophobicContact CE2-CG1 3.97Å; L44-V51 HydrophobicContact CB-CG2 4.27Å; Y49-V51 PolarHBondContact O-N 3.36Å; V51-K53 PolarHBondContact O-N 3.05Å
52	M	63.9	Low	69.5	Low	169 Å²	169	75.5 Å²	75.5	83%	0.833	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-61.5	130.6	164.4	-72.6	-86.2	78.1	0	0	108.7	P54	M52-P54 WeakPolarHBondContact O-CD 3.43Å; M52-P54 VanDerWaalsContact O-N 3.15Å
53	K	72.2	Confident	68.9	Low	79 Å²	79	75 Å²	75	34%	0.343	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-60.5	116.3	-173	-171	174.3	-168	169.2	0	110.6	Y41 V51 I57 E61	Y41-K53 HydrophobicContact CE1-CG 4.33Å; Y41-K53 HydrophobicContact CE2-CG 4.46Å; V51-K53 PolarHBondContact O-N 3.05Å; K53-I57 HydrophobicContact CG-CB 4.46Å; K53-I57 HydrophobicContact CG-CG2 4.19Å; K53-E61 WeakPolarHBondContact CE-OE1 3.49Å; K53-E61 IonicContact NZ-OE1 2.78Å; K53-E61 PolarHBondContact NZ-OE1 3.46Å; K53-E61 IonicContact NZ-OE2 2.73Å; K53-E61 PolarHBondContact NZ-OE2 3.45Å
54	P	75.6	Confident	68.6	Low	23 Å²	23	78 Å²	78	15%	0.149	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-67.2	147.2	-177.2	-19.5	31.4	0	0	0	112.2	F10 M52 V56 I57 F58	F10-P54 HydrophobicContact CB-CG 4.01Å; F10-P54 HydrophobicContact CD1-CB 4.02Å; F10-P54 HydrophobicContact CD1-CG 3.48Å; F10-P54 VanDerWaalsContact CD1-CG 3.48Å; F10-P54 HydrophobicContact CD2-CG 4.13Å; F10-P54 HydrophobicContact CE1-CB 4.22Å; F10-P54 HydrophobicContact CE1-CG 3.97Å; F10-P54 HydrophobicContact CG-CG 3.58Å; M52-P54 WeakPolarHBondContact O-CD 3.43Å; M52-P54 VanDerWaalsContact O-N 3.15Å; P54-V56 PolarHBondContact O-N 3.1Å; P54-I57 HydrophobicContact CB-CG1 4.28Å; P54-I57 HydrophobicContact CG-CG1 4.17Å; P54-I57 WeakPolarHBondContact O-CA 3.49Å; P54-I57 WeakPolarHBondContact O-CB 3.22Å; P54-I57 PolarHBondContact O-N 3.1Å; P54-F58 PolarHBondContact O-N 3.16Å
55	D	72.6	Confident	68.5	Low	128 Å²	128	81.7 Å²	81.7	68%	0.684	44%	0.438	S	S	*	.	H	α-helix	trans	-60.3	-33.5	-179.7	-70.8	-18	0	0	0	112.5	I57 F58 K59	D55-I57 VanDerWaalsContact C-N 3.33Å; D55-I57 PolarHBondContact O-N 3.36Å; D55-F58 PolarHBondContact O-N 3.05Å; D55-K59 WeakPolarHBondContact O-CG 3.41Å; D55-K59 PolarHBondContact O-N 3.04Å
56	V	73.3	Confident	68.1	Low	22 Å²	22	78.6 Å²	78.6	13%	0.133	42%	0.42	C	S	.	.	H	α-helix	trans	-58.7	-43.6	172.6	172.8	0	0	0	0	111.2	P54 L60 P66	P54-V56 PolarHBondContact O-N 3.1Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 WeakPolarHBondContact O-CB 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 3.27Å; V56-P66 HydrophobicContact CG1-CB 4.13Å
57	I	79.6	Confident	68.1	Low	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-69.3	-36.5	176.7	-62.3	-62.3	0	0	0	111	F10 M37 L38 Y41 K53 P54 D55 E61	F10-I57 HydrophobicContact CE1-CG1 4.36Å; F10-I57 HydrophobicContact CE2-CD1 3.96Å; F10-I57 HydrophobicContact CE2-CG1 4.02Å; F10-I57 HydrophobicContact CZ-CD1 3.68Å; F10-I57 HydrophobicContact CZ-CG1 3.76Å; M37-I57 HydrophobicContact CB-CD1 3.91Å; M37-I57 VanDerWaalsContact O-CD1 3.28Å; M37-I57 WeakPolarHBondContact O-CD1 3.43Å; L38-I57 HydrophobicContact CD2-CD1 4.47Å; L38-I57 HydrophobicContact CD2-CG2 4.07Å; Y41-I57 HydrophobicContact CD1-CG2 3.89Å; Y41-I57 HydrophobicContact CD2-CG1 4.43Å; Y41-I57 HydrophobicContact CE1-CG2 4.34Å; Y41-I57 HydrophobicContact CG-CG1 4.2Å; Y41-I57 HydrophobicContact CG-CG2 4.09Å; K53-I57 HydrophobicContact CG-CB 4.46Å; K53-I57 HydrophobicContact CG-CG2 4.19Å; P54-I57 HydrophobicContact CB-CG1 4.28Å; P54-I57 HydrophobicContact CG-CG1 4.17Å; P54-I57 WeakPolarHBondContact O-CA 3.49Å; P54-I57 WeakPolarHBondContact O-CB 3.22Å; P54-I57 PolarHBondContact O-N 3.1Å; D55-I57 VanDerWaalsContact C-N 3.33Å; D55-I57 PolarHBondContact O-N 3.36Å; I57-E61 PolarHBondContact O-N 2.77Å; I57-E61 VanDerWaalsContact O-N 3.09Å
58	F	78.4	Confident	67.2	Low	104 Å²	104	76.1 Å²	76.1	46%	0.456	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-50.6	175.4	-174.4	-93.3	0	0	0	111.9	P54 D55 L60 E61 Q62	P54-F58 PolarHBondContact O-N 3.16Å; D55-F58 PolarHBondContact O-N 3.05Å; F58-L60 PolarHBondContact O-N 2.97Å; F58-E61 PolarHBondContact O-N 3.17Å; F58-Q62 HydrophobicContact CE1-CG 4.2Å; F58-Q62 HydrophobicContact CZ-CG 4.46Å; F58-Q62 PolarHBondContact O-N 2.95Å
59	K	73.9	Confident	66.6	Low	59 Å²	59	75.9 Å²	75.9	26%	0.257	40%	0.396	S	S	.	.	H	α-helix	trans	-56.5	-49.7	174.7	-71.7	179.7	-176.8	179.6	0	111.9	D55 E61 Q62 G63 E64 P66 W67	D55-K59 WeakPolarHBondContact O-CG 3.41Å; D55-K59 PolarHBondContact O-N 3.04Å; K59-E61 VanDerWaalsContact C-N 3.29Å; K59-E61 PolarHBondContact O-N 3.48Å; K59-Q62 PolarHBondContact O-N 3.08Å; K59-Q62 VanDerWaalsContact O-N 3.12Å; K59-G63 PolarHBondContact O-N 3Å; K59-E64 HydrophobicContact CB-CB 4.07Å; K59-E64 HydrophobicContact CG-CB 4.42Å; K59-E64 PolarHBondContact O-N 3.19Å; K59-P66 PolarHBondContact NZ-O 3.32Å; K59-W67 PolarHBondContact NZ-O 2.91Å
60	L	76.8	Confident	65.1	Low	6 Å²	6	80.3 Å²	80.3	3%	0.031	43%	0.425	C	S	.	.	H	α-helix	trans	-60.3	-36.1	-178.8	-75.1	172.6	0	0	0	112.6	Y33 K34 M37 V56 F58 G63 P66	Y33-L60 HydrophobicContact CD1-CD1 4.43Å; Y33-L60 HydrophobicContact CD1-CD2 4.43Å; Y33-L60 HydrophobicContact CE1-CD1 4.02Å; Y33-L60 HydrophobicContact CE1-CD2 4.43Å; K34-L60 HydrophobicContact CB-CD2 4.06Å; K34-L60 HydrophobicContact CD-CD2 4.37Å; K34-L60 WeakPolarHBondContact CE-O 3.32Å; K34-L60 HydrophobicContact CG-CB 4.46Å; K34-L60 HydrophobicContact CG-CD2 4.2Å; K34-L60 PolarHBondContact NZ-O 3.34Å; M37-L60 HydrophobicContact CB-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 WeakPolarHBondContact O-CB 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 3.27Å; F58-L60 PolarHBondContact O-N 2.97Å; L60-G63 PolarHBondContact O-N 3.32Å; L60-P66 HydrophobicContact CD2-CB 4.31Å; L60-P66 HydrophobicContact CD2-CG 4.31Å; L60-P66 HydrophobicContact CG-CB 4.36Å
61	E	75.2	Confident	64	Low	95 Å²	95	75.1 Å²	75.1	44%	0.444	42%	0.421	S	S	.	.	H	α-helix	trans	-67.9	-41.1	174	-81.2	-177.8	-151.7	0	0	113	L38 K53 I57 F58 K59 G63	L38-E61 HydrophobicContact CD2-CG 3.84Å; K53-E61 WeakPolarHBondContact CE-OE1 3.49Å; K53-E61 IonicContact NZ-OE1 2.78Å; K53-E61 PolarHBondContact NZ-OE1 3.46Å; K53-E61 IonicContact NZ-OE2 2.73Å; K53-E61 PolarHBondContact NZ-OE2 3.45Å; I57-E61 PolarHBondContact O-N 2.77Å; I57-E61 VanDerWaalsContact O-N 3.09Å; F58-E61 PolarHBondContact O-N 3.17Å; K59-E61 VanDerWaalsContact C-N 3.29Å; K59-E61 PolarHBondContact O-N 3.48Å; E61-G63 PolarHBondContact O-N 3.4Å
62	Q	65.6	Low	62.6	Low	122 Å²	122	83 Å²	83	57%	0.57	46%	0.455	S	S	*	.	H	α-helix	trans	-70.1	-17.3	175.3	-57.4	-59.2	-11.9	0	0	113	F58 K59 E64	F58-Q62 HydrophobicContact CE1-CG 4.2Å; F58-Q62 HydrophobicContact CZ-CG 4.46Å; F58-Q62 PolarHBondContact O-N 2.95Å; K59-Q62 PolarHBondContact O-N 3.08Å; K59-Q62 VanDerWaalsContact O-N 3.12Å; Q62-E64 HydrophobicContact CB-CG 4.25Å
63	G	61.5	Low	60.8	Low	54 Å²	54	82.6 Å²	82.6	56%	0.557	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	13.4	-176.2	0	0	0	0	0	114.1	K59 L60 E61	K59-G63 PolarHBondContact O-N 3Å; L60-G63 PolarHBondContact O-N 3.32Å; E61-G63 PolarHBondContact O-N 3.4Å
64	E	65.6	Low	58.8	Low	113 Å²	113	84.8 Å²	84.8	53%	0.528	48%	0.477	S	S	.	.			trans	-79.4	147.7	174.5	-63.2	176.4	-176.7	0	0	110.9	K59 Q62	K59-E64 HydrophobicContact CB-CB 4.07Å; K59-E64 HydrophobicContact CG-CB 4.42Å; K59-E64 PolarHBondContact O-N 3.19Å; Q62-E64 HydrophobicContact CB-CG 4.25Å
65	E	67.3	Low	56.7	Low	81 Å²	81	89.3 Å²	89.3	38%	0.379	51%	0.51	S	S	.	.			trans	-74.8	137.6	177.4	-62.9	-160.9	106.2	0	0	111	W22 K30 W67	W22-E65 VanDerWaalsContact NE1-CD 3.34Å; W22-E65 PolarHBondContact NE1-OE1 3.16Å; K30-E65 IonicContact NZ-OE1 3.2Å; K30-E65 PolarHBondContact NZ-OE1 3.17Å; E65-W67 HydrophobicContact CB-CE3 3.8Å; E65-W67 HydrophobicContact CB-CH2 3.89Å; E65-W67 HydrophobicContact CB-CZ3 3.31Å; E65-W67 HydrophobicContact CG-CZ3 4.09Å; E65-W67 PolarHBondContact O-N 2.89Å; E65-W67 VanDerWaalsContact OE2-CZ3 3.28Å; E65-W67 WeakPolarHBondContact OE2-CZ3 3.41Å
66	P	59.7	Low	54.5	Low	7 Å²	7	88.1 Å²	88.1	5%	0.045	51%	0.511	C	S	.	.			trans	-86	-10.7	-153	31.5	-37.2	0	0	0	116.9	W22 Y33 V56 K59 L60	W22-P66 HydrophobicContact CD2-CG 4.26Å; W22-P66 HydrophobicContact CE3-CG 4.16Å; W22-P66 HydrophobicContact CH2-CG 3.92Å; W22-P66 HydrophobicContact CZ2-CG 3.99Å; W22-P66 HydrophobicContact CZ3-CG 4Å; Y33-P66 HydrophobicContact CE1-CG 4.05Å; V56-P66 HydrophobicContact CG1-CB 4.13Å; K59-P66 PolarHBondContact NZ-O 3.32Å; L60-P66 HydrophobicContact CD2-CB 4.31Å; L60-P66 HydrophobicContact CD2-CG 4.31Å; L60-P66 HydrophobicContact CG-CB 4.36Å
67	W	66.9	Low	52.1	Low	68 Å²	68	94.3 Å²	94.3	26%	0.258	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-59.4	158.8	-162.8	65.2	76.3	0	0	0	115.5	Q19 W22 K59 E65	Q19-W67 HydrophobicContact CB-CB 4.43Å; Q19-W67 HydrophobicContact CB-CD2 4.09Å; Q19-W67 HydrophobicContact CB-CG 3.94Å; Q19-W67 HydrophobicContact CG-CD2 3.8Å; Q19-W67 HydrophobicContact CG-CE3 4.14Å; Q19-W67 HydrophobicContact CG-CG 4.18Å; Q19-W67 HydrophobicContact CG-CZ2 4.17Å; Q19-W67 HydrophobicContact CG-CZ3 4.45Å; Q19-W67 VanDerWaalsContact NE2-CZ2 3.27Å; W22-W67 HydrophobicContact CB-CE3 4.49Å; W22-W67 AromaticContact CD1-CE3 3.61Å; W22-W67 AromaticContact CD1-CZ3 3.69Å; W22-W67 HydrophobicContact CG-CE3 4.17Å; K59-W67 PolarHBondContact NZ-O 2.91Å; E65-W67 HydrophobicContact CB-CE3 3.8Å; E65-W67 HydrophobicContact CB-CH2 3.89Å; E65-W67 HydrophobicContact CB-CZ3 3.31Å; E65-W67 HydrophobicContact CG-CZ3 4.09Å; E65-W67 PolarHBondContact O-N 2.89Å; E65-W67 VanDerWaalsContact OE2-CZ3 3.28Å; E65-W67 WeakPolarHBondContact OE2-CZ3 3.41Å
68	V	47.8	Very low	49.5	Very low	106 Å²	106	99.8 Å²	99.8	64%	0.642	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-88.6	148.3	173.3	-175.6	0	0	0	0	109.7
69	G	41.3	Very low	47.6	Very low	61 Å²	61	100.1 Å²	100.1	63%	0.629	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-99.1	140.2	172.8	0	0	0	0	0	111.5	G71	G69-G71 PolarHBondContact O-N 3.14Å
70	D	33.9	Very low	45.3	Very low	173 Å²	173	104.9 Å²	104.9	93%	0.925	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-65.8	123.3	179	-65	-48.4	0	0	0	111.1
71	G	30.7	Very low	42.9	Very low	76 Å²	76	109.4 Å²	109.4	78%	0.784	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-95.7	123.9	176.4	0	0	0	0	0	112	G69	G69-G71 PolarHBondContact O-N 3.14Å
72	E	32.7	Very low	40.4	Very low	196 Å²	196	114.7 Å²	114.7	92%	0.916	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-71.9	139.4	-179.6	-57.9	-179.6	143.1	0	0	112.9
73	I	27.3	Very low	38.4	Very low	161 Å²	161	114.8 Å²	114.8	83%	0.826	67%	0.666	S	S	*	*			trans	-136.2	143.2	162.3	-67.3	-173.7	0	0	0	108.5
74	P	28.2	Very low	36.6	Very low	125 Å²	125	117.4 Å²	117.4	81%	0.812	67%	0.671	S	S	*	*			trans	-84.5	176.9	-157.5	-15.3	33.6	0	0	0	117.9
75	S	31.6	Very low	34.7	Very low	118 Å²	118	119.3 Å²	119.3	83%	0.825	69%	0.685	S	S	*	*			trans	-76.6	142.5	-172.8	54.1	0	0	0	0	117.4
76	S	26.5	Very low	32.6	Very low	103 Å²	103	119 Å²	119	72%	0.72	70%	0.703	S	S	*	*			trans	173.1	136.8	151.1	169.7	0	0	0	0	108.2
77	D	24.1	Very low	30.9	Very low	152 Å²	152	126.3 Å²	126.3	81%	0.813	74%	0.742	S	S	*	*			cis	-154	169	-15.2	-95.9	-50.9	0	0	0	109.8
78	S	23.9	Very low	28.8	Very low	116 Å²	116	130.4 Å²	130.4	81%	0.811	77%	0.766	S	S	*	*			trans	-93.3	177.7	171.2	-115.7	0	0	0	0	111.5
79	P	38.6	Very low	27.5	Very low	111 Å²	111	132.8 Å²	132.8	72%	0.721	77%	0.771	S	S	*	*			cis	-144	-157.9	31.9	50.4	-30.4	0	0	0	112.9
80	E	26.5	Very low	26.5	Very low	158 Å²	158	139.4 Å²	139.4	74%	0.738	78%	0.777	S	S	*	*			cis	-162.8	-179.9	-14.4	-134.5	-170.6	133.4	0	0	111
81	V	25.9	Very low	26	Very low	101 Å²	101	138.1 Å²	138.1	61%	0.612	77%	0.766	S	S	*	*			trans	60.8	131.1	141.6	165.8	0	0	0	0	120.7
82	W	22.6	Very low	25.7	Very low	207 Å²	207	140.5 Å²	140.5	78%	0.784	76%	0.757	S	S	*	*			cis	-169.8	153.2	-2.9	-116.3	16.8	0	0	0	113.2
83	N	24.4	Very low	25.3	Very low	123 Å²	123	137.3 Å²	137.3	66%	0.658	75%	0.746	S	S	*	*			trans	48	153.9	132.5	-65.3	-16.6	0	0	0	122.9
84	V	23.7	Very low	25	Very low	110 Å²	110	136.3 Å²	136.3	67%	0.667	74%	0.742	S	S	*	*			cis	-164	161.5	1.7	112.3	0	0	0	0	113
85	N	24.5	Very low	24.9	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	74%	0.743	S	S	*	*			trans	10.3	160	157.3	-44	-20.8	0	0	0	122.9
86	G	23.5	Very low	24.6	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	74%	0.737	S	S	*	*			cis	170.3	176.1	0.5	0	0	0	0	0	115
87	N	23.4	Very low	24.5	Very low	161 Å²	161	143 Å²	143	86%	0.861	74%	0.74	S	S	*	*			trans	-34.4	167	177.1	-67	-6.2	0	0	0	120.7
88	M	23.2	Very low	24.6	Very low	155 Å²	155	143 Å²	143	76%	0.764	74%	0.739	S	S	*	*			cis	-178.5	167.3	-19.6	-172.1	172.7	78.8	0	0	110
89	M	21.5	Very low	24.7	Very low	155 Å²	155	146.4 Å²	146.4	76%	0.764	74%	0.739	S	S	*	*			trans	75.2	152.3	171.6	-64.3	165	53.8	0	0	118.3
90	W	20.4	Very low	24	Very low	200 Å²	200	148.9 Å²	148.9	76%	0.758	75%	0.745	S	S	*	*			cis	-168.4	165.2	-33.9	-128.3	102.2	0	0	0	109.7
91	H	23.5	Very low	23.8	Very low	147 Å²	147	148.8 Å²	148.8	68%	0.681	75%	0.747	S	S	*	*			trans	70.4	151.1	165.7	-74.7	-64.1	0	0	0	118.5
92	Q	22.8	Very low	23.8	Very low	126 Å²	126	153.2 Å²	153.2	59%	0.589	76%	0.759	S	S	*	*			cis	-161.8	136.8	-10.7	178.3	70.6	21.2	0	0	110.3
93	D	24.5	Very low	23.9	Very low	128 Å²	128	155.2 Å²	155.2	68%	0.684	77%	0.766	S	S	*	*			trans	50.1	155.1	164.2	-64.5	-27.2	0	0	0	120.4
94	N	22.7	Very low	23.8	Very low	141 Å²	141	152.4 Å²	152.4	75%	0.754	77%	0.766	S	S	*	*			cis	-147.9	174.1	6.1	-148.4	-42.5	0	0	0	111.3
95	Q	24.4	Very low	23.9	Very low	176 Å²	176	154.7 Å²	154.7	82%	0.822	77%	0.769	S	S	*	*			trans	78.3	123.2	171.3	-63.2	-167.4	-9.9	0	0	120
96	D	25.6	Very low	23.8	Very low	133 Å²	133	155.5 Å²	155.5	71%	0.711	77%	0.768	S	S	*	*			trans	81.7	122.9	147.7	-112.2	35.9	0	0	0	122.7
97	K	26	Very low	24.1	Very low	177 Å²	177	157.6 Å²	157.6	77%	0.77	77%	0.77	S	S	*	*			trans	81.8	115.7	159.3	-61.9	164.1	-172.1	158.5	0	120.2
98	L	25.1	Very low	24.2	Very low	153 Å²	153	158 Å²	158	80%	0.801	77%	0.772	S	S	*	*			trans	78.8	123	143.5	-80	162.2	0	0	0	121.4
99	K	25.1	Very low	24.2	Very low	187 Å²	187	154.9 Å²	154.9	81%	0.813	77%	0.771	S	S	*	*			trans	71.8	123.7	153.5	-59.6	170.9	-178.2	172.6	0	119.1
100	I	24.1	Very low	24.5	Very low	163 Å²	163	157.1 Å²	157.1	84%	0.836	78%	0.777	S	S	*	*			trans	-176.4	139.6	150	-106.5	157.5	0	0	0	106.7
101	I	23.3	Very low	24.7	Very low	155 Å²	155	151.1 Å²	151.1	80%	0.795	78%	0.777	S	S	*	*			cis	-151.9	170.8	-4.6	-145.5	166.4	0	0	0	111.8
102	K	26.5	Very low	24.9	Very low	195 Å²	195	153.1 Å²	153.1	85%	0.848	78%	0.784	S	S	*	*			trans	-95.2	150.4	168	-65.3	176.3	174.9	-179.7	0	111.8
103	R	24	Very low	24.9	Very low	248 Å²	248	154.9 Å²	154.9	94%	0.936	80%	0.797	S	S	*	*			trans	-172.3	144.9	135	-159.2	169	-70.7	-139	1	109.8
104	G	22.5	Very low	24.7	Very low	64 Å²	64	158 Å²	158	66%	0.66	81%	0.805	S	S	*	*			cis	-131.6	-165.7	-24.4	0	0	0	0	0	107.4
105	H	25.5	Very low	24.8	Very low	159 Å²	159	158.6 Å²	158.6	74%	0.736	81%	0.808	S	S	*	*			cis	-134.8	132.5	-1.2	-83	-94.8	0	0	0	106.1
106	E	23.2	Very low	24.8	Very low	169 Å²	169	157.5 Å²	157.5	79%	0.79	81%	0.807	S	S	*	*				63	99.2	87.8	-71.5	167.8	178.2	0	0	114.1
107	C	28.1	Very low	24.7	Very low	117 Å²	117	157.2 Å²	157.2	79%	0.791	81%	0.806	S	S	*	*			trans	-143.3	140.3	157	-71.1	0	0	0	0	105.3
108	D	25.7	Very low	24.5	Very low	169 Å²	169	156.1 Å²	156.1	90%	0.904	81%	0.805	S	S	*	*			trans	155.6	129.3	147.3	-83.1	-15	0	0	0	112.4
109	A	23.6	Very low	24.5	Very low	90 Å²	90	155.3 Å²	155.3	74%	0.744	80%	0.802	S	S	*	*			trans	-175	131.1	150.6	0	0	0	0	0	107.8
110	F	28	Very low	24.4	Very low	202 Å²	202	156 Å²	156	89%	0.886	81%	0.805	S	S	*	*			cis	-118.6	144.9	-0.5	-85.3	-101.5	0	0	0	111.4
111	G	24.2	Very low	24.4	Very low	75 Å²	75	154.6 Å²	154.6	77%	0.773	80%	0.804	S	S	*	*			trans	-107.8	139.6	157.1	0	0	0	0	0	110.6
112	K	27.4	Very low	24.4	Very low	189 Å²	189	152.9 Å²	152.9	82%	0.822	80%	0.803	S	S	*	*			trans	-126	123.6	158	-78.1	-171.7	177.1	-179	0	107.9
113	N	22.9	Very low	24.2	Very low	162 Å²	162	151.9 Å²	151.9	87%	0.866	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.6	127.7	173	-76.2	-28.4	0	0	0	109.6
114	F	21.4	Very low	24.2	Very low	193 Å²	193	151.3 Å²	151.3	85%	0.846	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-95.6	116.6	154.6	-91	-85.8	0	0	0	108.6
115	N	24	Very low	24.2	Very low	155 Å²	155	157.5 Å²	157.5	83%	0.829	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.1	118	164.1	-87.6	-49.1	0	0	0	108.5
116	L	24.3	Very low	24.2	Very low	153 Å²	153	155.4 Å²	155.4	80%	0.801	82%	0.816	S	S	*	*			trans	-126.8	115.5	160	-83.1	174.8	0	0	0	109.3
117	N	23.3	Very low	24.2	Very low	127 Å²	127	154.1 Å²	154.1	68%	0.679	81%	0.814	S	S	*	*			trans	-73	134.8	174.5	-178.5	15.9	0	0	0	109.7
118	M	23.4	Very low	24.1	Very low	153 Å²	153	156.5 Å²	156.5	75%	0.754	82%	0.819	S	S	*	*			trans	-130.8	106.3	171.9	-82.5	-68.4	167.2	0	0	109.9	F120	M118-F120 PolarHBondContact O-N 3Å
119	N	23.6	Very low	24	Very low	137 Å²	137	158.3 Å²	158.3	73%	0.733	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-70.1	123.5	178.3	-64.9	-51.7	0	0	0	110.4	V121	N119-V121 PolarHBondContact O-N 3.17Å
120	F	23.6	Very low	24	Very low	200 Å²	200	157.7 Å²	157.7	88%	0.877	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-79	116.8	171.8	-84.2	-96.7	0	0	0	111	M118 P122	M118-F120 PolarHBondContact O-N 3Å; F120-P122 WeakPolarHBondContact O-CD 3.48Å
121	V	23.8	Very low	23.7	Very low	135 Å²	135	155.5 Å²	155.5	82%	0.818	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-88.2	117.4	163.9	179.7	0	0	0	0	108.5	N119	N119-V121 PolarHBondContact O-N 3.17Å
122	P	23.7	Very low	23.7	Very low	119 Å²	119	159.7 Å²	159.7	77%	0.773	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.5	126	179.9	-7.8	25.3	0	0	0	111.1	F120	F120-P122 WeakPolarHBondContact O-CD 3.48Å
123	L	22.6	Very low	23.5	Very low	174 Å²	174	158.3 Å²	158.3	91%	0.911	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-97.1	140.4	168.6	-159.9	65	0	0	0	111.4
124	R	23.7	Very low	23.5	Very low	236 Å²	236	153.7 Å²	153.7	89%	0.891	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-57	149.2	-169.2	-84.9	176.9	166.4	167.6	-5.4	115
125	K	23.2	Very low	23.7	Very low	193 Å²	193	152.4 Å²	152.4	84%	0.839	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-71.1	150.5	151	-60.5	177.6	-178.9	177.8	0	110.3
126	S	24.9	Very low	23.6	Very low	115 Å²	115	152.3 Å²	152.3	80%	0.804	82%	0.818	S	S	*	*			trans	-137.8	118.2	154.6	55.9	0	0	0	0	108.5
127	N	23.9	Very low	23.5	Very low	142 Å²	142	152.8 Å²	152.8	76%	0.759	82%	0.82	S	S	*	*			trans	-86.5	153.3	162.1	-63	3.6	0	0	0	108.3
128	N	24.8	Very low	23.5	Very low	168 Å²	168	154.1 Å²	154.1	90%	0.898	82%	0.82	S	S	*	*			trans	-164.1	147.8	143.3	-97.1	-11.7	0	0	0	108.6
129	E	24.4	Very low	23.6	Very low	206 Å²	206	155.5 Å²	155.5	96%	0.963	82%	0.824	S	S	*	*			trans	-112	159.3	174.5	-64.9	174	128.5	0	0	109.1
130	G	22.6	Very low	23.6	Very low	78 Å²	78	154.7 Å²	154.7	80%	0.804	82%	0.816	S	S	*	*			trans	168.4	130.6	175.1	0	0	0	0	0	113.4
131	D	22.5	Very low	23.6	Very low	155 Å²	155	153.4 Å²	153.4	83%	0.829	82%	0.817	S	S	*	*			trans	-76.6	153.2	-179.7	-65.8	-63.6	0	0	0	113.7
132	L	23.6	Very low	23.6	Very low	164 Å²	164	152.2 Å²	152.2	86%	0.859	81%	0.806	S	S	*	*				-177.3	168.9	99.7	-116	113.1	0	0	0	114.3
133	D	23.1	Very low	23.6	Very low	160 Å²	160	154.1 Å²	154.1	86%	0.856	81%	0.809	S	S	*	*			trans	-72.4	165.6	-175.9	-67.5	-75.4	0	0	0	116.6
134	G	22	Very low	23.7	Very low	65 Å²	65	153.3 Å²	153.3	67%	0.67	81%	0.805	S	S	*	*			trans	159	118.7	145.2	0	0	0	0	0	118
135	L	26.1	Very low	23.8	Very low	166 Å²	166	149.1 Å²	149.1	87%	0.869	80%	0.798	S	S	*	*			trans	58.7	121.3	151.3	-53.9	173.2	0	0	0	117.4
136	I	22.4	Very low	23.9	Very low	153 Å²	153	145.9 Å²	145.9	79%	0.785	80%	0.797	S	S	*	*			cis	57.4	99.1	42.1	-47.4	-179.5	0	0	0	114.1
137	L	23	Very low	23.9	Very low	163 Å²	163	149.6 Å²	149.6	85%	0.853	80%	0.799	S	S	*	*			trans	-144	138.5	135.3	-156.7	69	0	0	0	111.2
138	K	22.8	Very low	24	Very low	155 Å²	155	146.6 Å²	146.6	67%	0.674	80%	0.801	S	S	*	*			trans	-73.6	157.7	169.7	-77.7	176.3	168.4	-179.9	0	110.2
139	H	24.9	Very low	23.9	Very low	181 Å²	181	145.5 Å²	145.5	84%	0.838	80%	0.795	S	S	*	*				-138.3	117.2	121.7	-109.8	-80.2	0	0	0	110.2
140	H	23.2	Very low	24	Very low	121 Å²	121	147 Å²	147	56%	0.56	79%	0.794	S	S	*	*			trans	-87.5	152	159.6	-87.9	-113.2	0	0	0	108.4	D142	H140-D142 IonicContact CE1-OD2 3.68Å; H140-D142 IonicContact CG-OD2 3.25Å; H140-D142 IonicContact ND1-OD2 3.03Å; H140-D142 PolarHBondContact ND1-OD2 3.45Å
141	L	24	Very low	24	Very low	173 Å²	173	146.5 Å²	146.5	91%	0.906	79%	0.788	S	S	*	*			trans	-152.8	103.5	144.9	-112.7	161.7	0	0	0	106.9
142	D	23.3	Very low	24	Very low	110 Å²	110	149.2 Å²	149.2	59%	0.588	79%	0.792	S	S	*	*			trans	-93.8	172.5	-179.7	-73.2	-78.5	0	0	0	111.3	H140	H140-D142 IonicContact CE1-OD2 3.68Å; H140-D142 IonicContact CG-OD2 3.25Å; H140-D142 IonicContact ND1-OD2 3.03Å; H140-D142 PolarHBondContact ND1-OD2 3.45Å
143	L	23.9	Very low	24	Very low	158 Å²	158	146.3 Å²	146.3	83%	0.827	79%	0.792	S	S	*	*			trans	76.6	147.9	170.8	-44.2	178.6	0	0	0	114
144	L	25	Very low	23.9	Very low	158 Å²	158	147.6 Å²	147.6	83%	0.827	79%	0.793	S	S	*	*			cis	-125.9	155.1	15.9	-76.1	160.1	0	0	0	113.7
145	I	26	Very low	24.1	Very low	147 Å²	147	149.5 Å²	149.5	75%	0.754	80%	0.796	S	S	*	*			trans	-109.8	132.5	167.5	-65.2	166.2	0	0	0	108.5	K147	I145-K147 HydrophobicContact CG2-CG 4.43Å
146	P	25.1	Very low	23.9	Very low	125 Å²	125	149 Å²	149	81%	0.812	80%	0.795	S	S	*	*			trans	-93.9	128.1	150.4	-8.4	27.5	0	0	0	110.1
147	K	25.9	Very low	24	Very low	194 Å²	194	148.9 Å²	148.9	84%	0.843	80%	0.796	S	S	*	*			trans	-86	146.4	164.4	-76.7	-175.1	174.2	-174.7	0	109.7	I145	I145-K147 HydrophobicContact CG2-CG 4.43Å
148	G	24.6	Very low	24.1	Very low	78 Å²	78	150.2 Å²	150.2	80%	0.804	80%	0.795	S	S	*	*			trans	-147.4	111.9	163.4	0	0	0	0	0	109.5
149	D	23.6	Very low	24.4	Very low	145 Å²	145	149.9 Å²	149.9	78%	0.775	80%	0.8	S	S	*	*			trans	-84.4	145.6	170.2	-67.9	-69.9	0	0	0	109.8
150	Y	26	Very low	24.5	Very low	239 Å²	239	148 Å²	148	94%	0.937	80%	0.801	S	S	*	*			trans	-179.6	135.8	132.9	-102.5	-65.3	0	0	0	113.6
151	G	22.6	Very low	24.6	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	82%	0.816	S	S	*	*				69.8	95.5	129.2	0	0	0	0	0	122
152	K	23.5	Very low	25	Very low	212 Å²	212	150.6 Å²	150.6	92%	0.922	81%	0.811	S	S	*	*			trans	22.7	138.4	133.9	-63.6	180	174.2	-177	0	121.1
153	A	22.4	Very low	25.3	Very low	104 Å²	104	152.7 Å²	152.7	86%	0.86	82%	0.822	S	S	*	*				160.7	171.8	119.1	0	0	0	0	0	111.6
154	E	22.5	Very low	25.4	Very low	186 Å²	186	155 Å²	155	87%	0.869	83%	0.826	S	S	*	*			trans	-101.4	173.2	-161.6	-63.9	165.5	137.6	0	0	114.8
155	S	24.2	Very low	25.5	Very low	105 Å²	105	157 Å²	157	73%	0.734	83%	0.828	S	S	*	*			trans	111.2	138.4	143.8	73.4	0	0	0	0	120.5
156	D	23.2	Very low	25.4	Very low	157 Å²	157	157.6 Å²	157.6	84%	0.84	83%	0.832	S	S	*	*			trans	73.8	146.9	152.1	-56.5	-15.5	0	0	0	123.5
157	D	24.9	Very low	25.4	Very low	150 Å²	150	161 Å²	161	80%	0.802	84%	0.837	S	S	*	*			trans	-66.6	152.3	180	-81.3	-58.8	0	0	0	112.7
158	F	24.3	Very low	25.3	Very low	191 Å²	191	157.8 Å²	157.8	84%	0.838	84%	0.839	S	S	*	*				-172.5	170.1	118.2	-102.2	-63.9	0	0	0	112.5	V160	F158-V160 PolarHBondContact O-N 3.37Å
159	N	30.2	Very low	25.3	Very low	147 Å²	147	164.1 Å²	164.1	79%	0.786	84%	0.844	S	S	*	*			trans	-66	111.5	-172	-71.6	-69.4	0	0	0	113.9	F161	N159-F161 PolarHBondContact O-N 3.42Å
160	V	26.3	Very low	25.7	Very low	141 Å²	141	162.4 Å²	162.4	86%	0.855	84%	0.841	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	70.8	170.3	-169.9	0	0	0	0	111	F158	F158-V160 PolarHBondContact O-N 3.37Å
161	F	26	Very low	25.5	Very low	200 Å²	200	159.9 Å²	159.9	88%	0.877	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.2	16	159.1	-133.7	-86.6	0	0	0	115.9	N159	N159-F161 PolarHBondContact O-N 3.42Å
162	D	31.7	Very low	25.6	Very low	150 Å²	150	163.7 Å²	163.7	80%	0.802	84%	0.843	S	S	*	*			trans	-123.9	85.6	171.6	-83.9	-56.2	0	0	0	110.8
163	N	29.3	Very low	25.7	Very low	153 Å²	153	159.2 Å²	159.2	82%	0.818	83%	0.833	S	S	*	*			trans	180	87.6	150.1	-98.9	-38.1	0	0	0	111
164	F	25.8	Very low	26.2	Very low	207 Å²	207	161.8 Å²	161.8	91%	0.908	83%	0.833	S	S	*	*	S	Bend	trans	-148.8	24.7	161.2	-122.6	-72.2	0	0	0	114
165	F	27	Very low	26.6	Very low	199 Å²	199	159.3 Å²	159.3	87%	0.873	83%	0.83	S	S	*	*			trans	-148.8	102.9	168.4	-92	-77.2	0	0	0	109.9
166	L	24.7	Very low	26.8	Very low	160 Å²	160	163.5 Å²	163.5	84%	0.838	83%	0.83	S	S	*	*			trans	172.3	102.4	140.5	-97.8	170.9	0	0	0	109.2
167	H	24.5	Very low	26.9	Very low	198 Å²	198	162.8 Å²	162.8	92%	0.917	83%	0.825	S	S	*	*			trans	-169.2	93.7	145.7	-96.6	-60.7	0	0	0	109.3
168	S	23.9	Very low	27.2	Very low	126 Å²	126	165.3 Å²	165.3	88%	0.881	83%	0.829	S	S	*	*			trans	-167.9	110.2	152.2	-89.7	0	0	0	0	106.3
169	K	24	Very low	27.4	Very low	210 Å²	210	164.8 Å²	164.8	91%	0.913	82%	0.823	S	S	*	*			trans	-95.7	159.3	164.6	-99.7	-168.8	175.2	-175.2	0	109.1
170	P	32.4	Very low	27.2	Very low	110 Å²	110	168.8 Å²	168.8	71%	0.714	83%	0.829	S	S	*	*			trans	-94.6	148.7	-161.3	36.2	-34.6	0	0	0	113.4
171	E	22.7	Very low	27.2	Very low	186 Å²	186	168.5 Å²	168.5	87%	0.869	82%	0.822	S	S	*	*			trans	-146.2	165.1	157.1	-106	133.6	-141.8	0	0	108.6
172	D	24.1	Very low	27.5	Very low	146 Å²	146	163.9 Å²	163.9	78%	0.781	81%	0.814	S	S	*	*			trans	61.4	72	174.9	-61.3	-4.8	0	0	0	119.1
173	T	25.3	Very low	27.3	Very low	118 Å²	118	163.6 Å²	163.6	72%	0.724	81%	0.812	S	S	*	*				29.2	126.6	123.6	58.2	0	0	0	0	121.6
174	D	33.5	Very low	27.2	Very low	158 Å²	158	165 Å²	165	85%	0.845	81%	0.811	S	S	*	*			trans	37.2	93.8	144.6	-76	-39.3	0	0	0	119.9
175	T	31.6	Very low	27.3	Very low	133 Å²	133	166.3 Å²	166.3	82%	0.816	81%	0.812	S	S	*	*			trans	-150.9	47.4	153.8	-16.9	0	0	0	0	114
176	W	26.7	Very low	27.5	Very low	194 Å²	194	166.4 Å²	166.4	74%	0.735	81%	0.812	S	S	*	*			trans	-118.8	18.4	-177.9	-118.9	80.3	0	0	0	117.3	H254	W176-H254 AromaticContact CH2-CE1 3.11Å; W176-H254 WeakPolarHBondContact CH2-CE1 3.16Å; W176-H254 AromaticContact CH2-ND1 3.88Å; W176-H254 AromaticContact CH2-NE2 3.33Å; W176-H254 VanDerWaalsContact CH2-NE2 3.33Å; W176-H254 WeakPolarHBondContact CH2-NE2 3.38Å; W176-H254 AromaticContact CZ2-CE1 3.59Å; W176-H254 AromaticContact CZ2-NE2 3.9Å; W176-H254 AromaticContact CZ3-CE1 3.74Å
177	L	27.2	Very low	27.7	Very low	142 Å²	142	167.5 Å²	167.5	74%	0.743	81%	0.813	S	S	*	*			trans	-104.7	100.9	151.6	-90.4	80.3	0	0	0	109.2	Y179	L177-Y179 PolarHBondContact O-N 3.22Å
178	K	29.5	Very low	27.7	Very low	202 Å²	202	163.3 Å²	163.3	88%	0.878	81%	0.806	S	S	*	*			trans	-81.9	94.5	153.1	-79.1	-162.9	172.9	-172.7	0	108.8
179	Y	28.8	Very low	28	Very low	181 Å²	181	167 Å²	167	71%	0.71	80%	0.801	S	S	*	*			trans	-53.4	139.1	152.2	-116.9	-116.8	0	0	0	108.4	L177 D181	L177-Y179 PolarHBondContact O-N 3.22Å; Y179-D181 PolarHBondContact O-N 2.89Å; Y179-D181 VanDerWaalsContact O-N 3.16Å
180	Y	27.4	Very low	28.3	Very low	230 Å²	230	166.5 Å²	166.5	90%	0.902	80%	0.799	S	S	*	*			trans	-86.7	62.5	166.8	-113.4	-78.5	0	0	0	108.7	C182	Y180-C182 PolarHBondContact O-N 2.98Å
181	D	25.6	Very low	28.4	Very low	135 Å²	135	169.4 Å²	169.4	72%	0.722	80%	0.801	S	S	*	*			trans	-68.4	123.1	164.3	-89.1	-50.6	0	0	0	108.4	Y179	Y179-D181 PolarHBondContact O-N 2.89Å; Y179-D181 VanDerWaalsContact O-N 3.16Å
182	C	31.8	Very low	29.2	Very low	104 Å²	104	163.5 Å²	163.5	70%	0.703	78%	0.78	S	S	*	*			trans	-101.5	100.1	-169.6	-176.8	0	0	0	0	109.3	Y180	Y180-C182 PolarHBondContact O-N 2.98Å
183	D	26.8	Very low	30.1	Very low	144 Å²	144	163.7 Å²	163.7	77%	0.77	78%	0.776	S	S	*	*			trans	-148.5	153.5	165.7	-144.1	-21.1	0	0	0	113.7
184	K	29.1	Very low	31.4	Very low	181 Å²	181	161 Å²	161	79%	0.787	76%	0.757	S	S	*	*	S	Bend	trans	56	61.5	172.9	-62.1	-174.7	-179	174.3	0	117.7
185	Y	26.1	Very low	32.3	Very low	235 Å²	235	157.3 Å²	157.3	92%	0.922	74%	0.736	S	S	*	*				-138.4	117.8	115.5	-116.7	-86.2	0	0	0	109.7	E187	Y185-E187 PolarHBondContact O-N 2.9Å
186	K	31.7	Very low	33.5	Very low	202 Å²	202	155.7 Å²	155.7	88%	0.878	72%	0.722	S	S	*	*			trans	-80.6	101.8	176.2	-81.5	-177.3	175.2	177.9	0	109.4
187	E	28.3	Very low	34.7	Very low	183 Å²	183	153 Å²	153	86%	0.855	71%	0.712	S	S	*	*	S	Bend		177.9	169.9	125	-98.6	175.9	174.9	0	0	111.1	Y185	Y185-E187 PolarHBondContact O-N 2.9Å
188	S	25.7	Very low	35.7	Very low	110 Å²	110	151.5 Å²	151.5	77%	0.769	70%	0.701	S	S	*	*			trans	62.3	50.7	-178.9	-153.7	0	0	0	0	116.2	K190	S188-K190 PolarHBondContact O-N 3.32Å
189	Y	29.1	Very low	36.7	Very low	202 Å²	202	151 Å²	151	79%	0.792	69%	0.693	S	S	*	*			trans	-60.3	105.2	146.7	-81	-85.1	0	0	0	108.2	K191	Y189-K191 PolarHBondContact O-N 2.75Å
190	K	31.2	Very low	37.8	Very low	200 Å²	200	146.9 Å²	146.9	87%	0.87	68%	0.684	S	S	*	*			trans	-66.1	81.9	159.5	-92.2	-169.3	174.2	-178.1	0	108.8	S188 S192	S188-K190 PolarHBondContact O-N 3.32Å; K190-S192 PolarHBondContact O-N 2.81Å; K190-S192 VanDerWaalsContact O-N 3.11Å
191	K	35	Very low	39	Very low	172 Å²	172	148.4 Å²	148.4	75%	0.748	69%	0.688	S	S	*	*			trans	-53	115.3	161.5	-69.8	173.2	178.1	171.4	0	106.8	Y189 Q193	Y189-K191 PolarHBondContact O-N 2.75Å; K191-Q193 VanDerWaalsContact C-N 3.26Å; K191-Q193 PolarHBondContact O-N 3.38Å
192	S	38.7	Very low	40.4	Very low	61 Å²	61	150 Å²	150	43%	0.427	70%	0.696	S	S	.	*			trans	-64.2	90.5	167.2	51.7	0	0	0	0	108	K190 I194	K190-S192 PolarHBondContact O-N 2.81Å; K190-S192 VanDerWaalsContact O-N 3.11Å; S192-I194 PolarHBondContact O-N 3.37Å
193	Q	43.8	Very low	41.6	Very low	150 Å²	150	146.7 Å²	146.7	70%	0.701	68%	0.679	S	S	*	*			trans	-63.3	118.7	-168.6	-80.7	171.4	-62.3	0	0	110.4	K191 I195	K191-Q193 VanDerWaalsContact C-N 3.26Å; K191-Q193 PolarHBondContact O-N 3.38Å; Q193-I195 PolarHBondContact O-N 2.76Å; Q193-I195 VanDerWaalsContact O-N 3.11Å
194	I	52.2	Low	43.1	Very low	63 Å²	63	146.5 Å²	146.5	32%	0.323	67%	0.673	S	S	.	*			trans	-71.8	104.3	172.2	-61.3	176	0	0	0	107.4	S192 Y207 L222	S192-I194 PolarHBondContact O-N 3.37Å; I194-Y207 HydrophobicContact CG2-CD1 3.81Å; I194-L222 HydrophobicContact CG1-CD2 4.29Å; I194-L222 HydrophobicContact CG2-CD2 4.02Å
195	I	53.1	Low	44.7	Very low	79 Å²	79	143.3 Å²	143.3	41%	0.405	66%	0.66	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.9	120.7	174.6	-59.3	177.5	0	0	0	108	Q193 Y197 E208	Q193-I195 PolarHBondContact O-N 2.76Å; Q193-I195 VanDerWaalsContact O-N 3.11Å; I195-Y197 HydrophobicContact CG2-CD2 4.4Å; I195-E208 PolarHBondContact O-N 3.02Å
196	I	56.5	Low	46.5	Very low	100 Å²	100	134.7 Å²	134.7	51%	0.513	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96	101.8	169.2	-57.4	174.9	0	0	0	105.9	Y207	I196-Y207 HydrophobicContact CG1-CD1 4.45Å
197	Y	51.2	Low	48.2	Very low	137 Å²	137	127 Å²	127	54%	0.537	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.9	-38.4	-167.9	-164.9	-114.6	0	0	0	113.9	I195 R215	I195-Y197 HydrophobicContact CG2-CD2 4.4Å; Y197-R215 VanDerWaalsContact CD1-NH2 3.33Å
198	H	49.3	Very low	50	Low	110 Å²	110	119 Å²	119	51%	0.509	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.5	157.4	176.3	-88.1	-75.2	0	0	0	114
199	R	50	Low	51.8	Low	191 Å²	191	113.8 Å²	113.8	72%	0.721	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.2	168.7	-170.8	-175.7	-163.9	-176.4	1.3	106.7
200	N	52.1	Low	53.1	Low	95 Å²	95	106.7 Å²	106.7	51%	0.508	50%	0.501	S	S	.	.			trans	-73.3	170.3	-177.8	-71.5	-3.2	0	0	0	111	L202 G203	N200-L202 PolarHBondContact O-N 2.61Å; N200-G203 PolarHBondContact O-N 3.22Å
201	R	51.7	Low	54.2	Low	262 Å²	262	102.9 Å²	102.9	99%	0.989	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-14.8	179.5	-81.4	-173.7	173.4	-179.1	-1.9	115
202	L	54.8	Low	55.5	Low	169 Å²	169	96.6 Å²	96.6	89%	0.885	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	10.6	174.8	-68.1	167.8	0	0	0	114	N200 E204	N200-L202 PolarHBondContact O-N 2.61Å; L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 2.83Å
203	G	57.5	Low	56.6	Low	34 Å²	34	103 Å²	103	35%	0.351	48%	0.479	S	S	.	.			trans	83.7	-10.9	167.3	0	0	0	0	0	117.4	N200	N200-G203 PolarHBondContact O-N 3.22Å
204	E	58.5	Low	57.7	Low	140 Å²	140	101.2 Å²	101.2	65%	0.654	47%	0.468	S	S	*	.			trans	-61.5	150.8	179.1	-62.5	-162.3	125	0	0	113.7	L202	L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 2.83Å
205	K	62	Low	58.7	Low	115 Å²	115	105 Å²	105	50%	0.5	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.3	-179.4	-66.4	-178.9	-179	177.8	0	111	Y207	K205-Y207 HydrophobicContact CB-CE2 4.08Å; K205-Y207 WeakPolarHBondContact O-CD2 3.28Å; K205-Y207 WeakPolarHBondContact O-CE2 3.3Å
206	L	63.7	Low	59.6	Low	54 Å²	54	103.4 Å²	103.4	28%	0.283	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.3	169.8	-70.4	165.5	0	0	0	110.6
207	Y	68.8	Low	60	Low	40 Å²	40	102.3 Å²	102.3	16%	0.157	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.2	-178.9	-54.4	-90.7	0	0	0	109.6	I194 I196 K205 R215 F216 K219	I194-Y207 HydrophobicContact CG2-CD1 3.81Å; I196-Y207 HydrophobicContact CG1-CD1 4.45Å; K205-Y207 HydrophobicContact CB-CE2 4.08Å; K205-Y207 WeakPolarHBondContact O-CD2 3.28Å; K205-Y207 WeakPolarHBondContact O-CE2 3.3Å; Y207-R215 CarbonylContact O-C 3.54Å; Y207-R215 WeakPolarHBondContact O-CA 3.46Å; Y207-F216 PolarHBondContact N-O 3.41Å; Y207-F216 PolarHBondContact O-N 3.39Å; Y207-K219 HydrophobicContact CD1-CB 4.21Å; Y207-K219 HydrophobicContact CD1-CG 4.26Å; Y207-K219 HydrophobicContact CD2-CB 4.32Å; Y207-K219 HydrophobicContact CE1-CB 3.9Å; Y207-K219 HydrophobicContact CE1-CD 4.3Å; Y207-K219 HydrophobicContact CE1-CG 4.11Å; Y207-K219 HydrophobicContact CE2-CB 4.03Å; Y207-K219 HydrophobicContact CG-CB 4.42Å
208	E	65.1	Low	60.8	Low	14 Å²	14	102.4 Å²	102.4	7%	0.065	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.4	-178.2	-165.2	169.5	130.4	0	0	111.8	I195 R213 R215	I195-E208 PolarHBondContact O-N 3.02Å; E208-R213 HydrophobicContact CG-CB 4.43Å; E208-R213 WeakPolarHBondContact CG-O 3.32Å; E208-R215 HydrophobicContact CB-CG 4.28Å; E208-R215 HydrophobicContact CG-CG 3.98Å; E208-R215 IonicContact OE2-CZ 2.8Å; E208-R215 IonicContact OE2-NE 3.66Å; E208-R215 PolarHBondContact OE2-NE 3.27Å; E208-R215 IonicContact OE2-NH2 2.71Å; E208-R215 PolarHBondContact OE2-NH2 3.22Å
209	C	63.4	Low	61.6	Low	1 Å²	1	102 Å²	102	1%	0.007	47%	0.47	C	S	.	.			trans	-77.8	122.8	175.4	-172.1	0	0	0	0	111.1	E211 R213 K214 L222	C209-E211 PolarHBondContact O-N 3.1Å; C209-E211 VanDerWaalsContact O-N 3.17Å; C209-R213 WeakPolarHBondContact O-CA 3.31Å; C209-R213 PolarHBondContact O-N 2.89Å; C209-K214 PolarHBondContact N-O 2.87Å; C209-L222 HydrophobicContact CB-CD1 3.62Å
210	S	55.7	Low	62.4	Low	54 Å²	54	97.3 Å²	97.3	38%	0.378	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.9	-178.3	52	0	0	0	0	115
211	E	55.5	Low	63.2	Low	120 Å²	120	95.4 Å²	95.4	56%	0.561	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-35.6	-173.6	-70.7	169.3	-151	0	0	113.4	C209 H229	C209-E211 PolarHBondContact O-N 3.1Å; C209-E211 VanDerWaalsContact O-N 3.17Å; E211-H229 IonicContact OE2-CE1 2.96Å; E211-H229 IonicContact OE2-CG 3.18Å; E211-H229 IonicContact OE2-ND1 3.4Å; E211-H229 PolarHBondContact OE2-ND1 3.19Å
212	C	61.1	Low	63.9	Low	39 Å²	39	82.9 Å²	82.9	26%	0.264	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	12.9	-176.1	74.6	0	0	0	0	114.2	K214 H225	C212-K214 PolarHBondContact O-N 3.45Å; C212-H225 PolarHBondContact SG-NE2 2.96Å
213	R	63.2	Low	64.2	Low	196 Å²	196	79.1 Å²	79.1	74%	0.74	39%	0.391	S	S	*	.			trans	52.9	13.5	176.5	-57.3	-166.9	-173.8	-134.6	7.5	117.5	E208 C209	E208-R213 HydrophobicContact CG-CB 4.43Å; E208-R213 WeakPolarHBondContact CG-O 3.32Å; C209-R213 WeakPolarHBondContact O-CA 3.31Å; C209-R213 PolarHBondContact O-N 2.89Å
214	K	66.8	Low	64.5	Low	112 Å²	112	85.3 Å²	85.3	49%	0.487	41%	0.408	S	S	.	.			trans	-70.3	135.4	176.2	-74.4	168.5	-176.3	161.4	0	110	C209 C212 F216	C209-K214 PolarHBondContact N-O 2.87Å; C212-K214 PolarHBondContact O-N 3.45Å; K214-F216 HydrophobicContact CB-CE2 4.02Å; K214-F216 HydrophobicContact CB-CZ 4.18Å; K214-F216 WeakPolarHBondContact O-CD2 3.19Å; K214-F216 VanDerWaalsContact O-CE2 3.28Å; K214-F216 WeakPolarHBondContact O-CE2 3.41Å
215	R	72.4	Confident	64.6	Low	144 Å²	144	79.8 Å²	79.8	54%	0.543	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143	-172.4	-69	179	172.7	161.6	4.8	111.9	Y197 Y207 E208	Y197-R215 VanDerWaalsContact CD1-NH2 3.33Å; Y207-R215 CarbonylContact O-C 3.54Å; Y207-R215 WeakPolarHBondContact O-CA 3.46Å; E208-R215 HydrophobicContact CB-CG 4.28Å; E208-R215 HydrophobicContact CG-CG 3.98Å; E208-R215 IonicContact OE2-CZ 2.8Å; E208-R215 IonicContact OE2-NE 3.66Å; E208-R215 PolarHBondContact OE2-NE 3.27Å; E208-R215 IonicContact OE2-NH2 2.71Å; E208-R215 PolarHBondContact OE2-NH2 3.22Å
216	F	72.8	Confident	64.2	Low	44 Å²	44	75.2 Å²	75.2	19%	0.193	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.5	-177.2	-59.4	-88.5	0	0	0	110.9	Y207 K214 K218 L222 H225	Y207-F216 PolarHBondContact N-O 3.41Å; Y207-F216 PolarHBondContact O-N 3.39Å; K214-F216 HydrophobicContact CB-CE2 4.02Å; K214-F216 HydrophobicContact CB-CZ 4.18Å; K214-F216 WeakPolarHBondContact O-CD2 3.19Å; K214-F216 VanDerWaalsContact O-CE2 3.28Å; K214-F216 WeakPolarHBondContact O-CE2 3.41Å; F216-K218 VanDerWaalsContact C-N 3.33Å; F216-L222 HydrophobicContact CB-CB 4.21Å; F216-L222 HydrophobicContact CD2-CB 3.88Å; F216-L222 HydrophobicContact CD2-CD1 3.77Å; F216-L222 HydrophobicContact CD2-CG 4.39Å; F216-L222 HydrophobicContact CE2-CD1 3.91Å; F216-L222 HydrophobicContact CG-CB 4.13Å; F216-H225 HydrophobicContact CE1-CB 3.97Å; F216-H225 HydrophobicContact CE2-CB 4.12Å; F216-H225 AromaticContact CE2-CD2 3.29Å; F216-H225 WeakPolarHBondContact CE2-CD2 3.29Å; F216-H225 AromaticContact CE2-CG 3.85Å; F216-H225 HydrophobicContact CZ-CB 3.55Å; F216-H225 AromaticContact CZ-CD2 3.26Å; F216-H225 WeakPolarHBondContact CZ-CD2 3.48Å; F216-H225 AromaticContact CZ-CG 3.34Å; F216-H225 AromaticContact CZ-NE2 3.93Å
217	S	64.3	Low	63.7	Low	77 Å²	77	75.2 Å²	75.2	54%	0.538	37%	0.367	S	S	.	.	S	Bend	trans	-78.1	-13.5	175.7	52.7	0	0	0	0	114.2
218	K	69	Low	62.9	Low	140 Å²	140	81.3 Å²	81.3	61%	0.609	39%	0.39	S	S	*	.	S	Bend	trans	-133.9	127.7	-178.1	-59.8	-174.3	-178.1	-178.1	0	110.7	F216 P220 S221 L222	F216-K218 VanDerWaalsContact C-N 3.33Å; K218-P220 VanDerWaalsContact C-CD 3.48Å; K218-S221 VanDerWaalsContact O-CB 3.31Å; K218-S221 WeakPolarHBondContact O-CB 3.2Å; K218-S221 PolarHBondContact O-N 3.35Å; K218-L222 PolarHBondContact O-N 2.94Å
219	K	64.4	Low	62.3	Low	101 Å²	101	83.9 Å²	83.9	44%	0.439	40%	0.402	S	S	.	.	H	α-helix	trans	-53.3	-40.9	-179	-168	-177.4	178.7	-173.3	0	114	Y207 S221 L222 I223	Y207-K219 HydrophobicContact CD1-CB 4.21Å; Y207-K219 HydrophobicContact CD1-CG 4.26Å; Y207-K219 HydrophobicContact CD2-CB 4.32Å; Y207-K219 HydrophobicContact CE1-CB 3.9Å; Y207-K219 HydrophobicContact CE1-CD 4.3Å; Y207-K219 HydrophobicContact CE1-CG 4.11Å; Y207-K219 HydrophobicContact CE2-CB 4.03Å; Y207-K219 HydrophobicContact CG-CB 4.42Å; K219-S221 VanDerWaalsContact C-N 3.27Å; K219-S221 PolarHBondContact O-N 3.38Å; K219-L222 PolarHBondContact O-N 3.25Å; K219-I223 HydrophobicContact CG-CD1 4.25Å; K219-I223 WeakPolarHBondContact O-CG1 3.24Å; K219-I223 PolarHBondContact O-N 2.8Å; K219-I223 VanDerWaalsContact O-N 3.1Å
220	P	67.3	Low	61.6	Low	92 Å²	92	90.1 Å²	90.1	60%	0.597	43%	0.433	S	S	*	.	H	α-helix	trans	-63	-30.1	175.6	-23.9	35.9	0	0	0	113.8	K218 I223 K224	K218-P220 VanDerWaalsContact C-CD 3.48Å; P220-I223 PolarHBondContact O-N 3.37Å; P220-K224 WeakPolarHBondContact O-CB 3.31Å; P220-K224 PolarHBondContact O-N 3.26Å
221	S	68.8	Low	61.1	Low	55 Å²	55	95.8 Å²	95.8	39%	0.385	45%	0.447	S	S	.	.	H	α-helix	trans	-69.3	-38.9	176.6	-53	0	0	0	0	111.8	K218 K219 K224 H225	K218-S221 VanDerWaalsContact O-CB 3.31Å; K218-S221 WeakPolarHBondContact O-CB 3.2Å; K218-S221 PolarHBondContact O-N 3.35Å; K219-S221 VanDerWaalsContact C-N 3.27Å; K219-S221 PolarHBondContact O-N 3.38Å; S221-K224 PolarHBondContact O-N 2.89Å; S221-H225 WeakPolarHBondContact O-CB 3.49Å; S221-H225 PolarHBondContact O-N 2.83Å
222	L	67.6	Low	60.5	Low	0 Å²	0	96.7 Å²	96.7	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-62.2	-45.1	170.7	173.3	59.5	0	0	0	110.9	I194 C209 F216 K218 K219 K224 H225 Q226	I194-L222 HydrophobicContact CG1-CD2 4.29Å; I194-L222 HydrophobicContact CG2-CD2 4.02Å; C209-L222 HydrophobicContact CB-CD1 3.62Å; F216-L222 HydrophobicContact CB-CB 4.21Å; F216-L222 HydrophobicContact CD2-CB 3.88Å; F216-L222 HydrophobicContact CD2-CD1 3.77Å; F216-L222 HydrophobicContact CD2-CG 4.39Å; F216-L222 HydrophobicContact CE2-CD1 3.91Å; F216-L222 HydrophobicContact CG-CB 4.13Å; K218-L222 PolarHBondContact O-N 2.94Å; K219-L222 PolarHBondContact O-N 3.25Å; L222-K224 PolarHBondContact O-N 3.19Å; L222-H225 CarbonylContact O-C 3.59Å; L222-H225 WeakPolarHBondContact O-CA 3.37Å; L222-H225 WeakPolarHBondContact O-CB 3.32Å; L222-H225 PolarHBondContact O-N 2.76Å; L222-H225 VanDerWaalsContact O-N 3.07Å; L222-Q226 HydrophobicContact CD1-CG 4Å; L222-Q226 HydrophobicContact CG-CG 4.4Å; L222-Q226 WeakPolarHBondContact O-CG 3.45Å; L222-Q226 PolarHBondContact O-N 3.18Å
223	I	60.4	Low	60	Low	89 Å²	89	101 Å²	101	46%	0.456	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-43.1	179.1	-65.1	166.8	0	0	0	111.2	K219 P220 H225 Q226 S227	K219-I223 HydrophobicContact CG-CD1 4.25Å; K219-I223 WeakPolarHBondContact O-CG1 3.24Å; K219-I223 PolarHBondContact O-N 2.8Å; K219-I223 VanDerWaalsContact O-N 3.1Å; P220-I223 PolarHBondContact O-N 3.37Å; I223-H225 PolarHBondContact O-N 3.43Å; I223-Q226 PolarHBondContact O-N 3.37Å; I223-S227 PolarHBondContact O-N 3.16Å
224	K	62.7	Low	59.5	Low	165 Å²	165	93.4 Å²	93.4	72%	0.717	45%	0.453	S	S	*	.	H	α-helix	trans	-66.1	-22.9	174.5	-172	174.9	-178.9	178.7	0	113.2	P220 S221 L222 S227	P220-K224 WeakPolarHBondContact O-CB 3.31Å; P220-K224 PolarHBondContact O-N 3.26Å; S221-K224 PolarHBondContact O-N 2.89Å; L222-K224 PolarHBondContact O-N 3.19Å; K224-S227 PolarHBondContact O-OG 3.24Å; K224-S227 VanDerWaalsContact O-OG 3.05Å
225	H	61	Low	59.1	Low	23 Å²	23	91.1 Å²	91.1	11%	0.106	44%	0.444	C	S	.	.	H	α-helix	trans	-82.5	-41.7	172.1	168.5	58.9	0	0	0	111.9	C212 F216 S221 L222 I223 S227 R228 H229	C212-H225 PolarHBondContact SG-NE2 2.96Å; F216-H225 HydrophobicContact CE1-CB 3.97Å; F216-H225 HydrophobicContact CE2-CB 4.12Å; F216-H225 AromaticContact CE2-CD2 3.29Å; F216-H225 WeakPolarHBondContact CE2-CD2 3.29Å; F216-H225 AromaticContact CE2-CG 3.85Å; F216-H225 HydrophobicContact CZ-CB 3.55Å; F216-H225 AromaticContact CZ-CD2 3.26Å; F216-H225 WeakPolarHBondContact CZ-CD2 3.48Å; F216-H225 AromaticContact CZ-CG 3.34Å; F216-H225 AromaticContact CZ-NE2 3.93Å; S221-H225 WeakPolarHBondContact O-CB 3.49Å; S221-H225 PolarHBondContact O-N 2.83Å; L222-H225 CarbonylContact O-C 3.59Å; L222-H225 WeakPolarHBondContact O-CA 3.37Å; L222-H225 WeakPolarHBondContact O-CB 3.32Å; L222-H225 PolarHBondContact O-N 2.76Å; L222-H225 VanDerWaalsContact O-N 3.07Å; I223-H225 PolarHBondContact O-N 3.43Å; H225-S227 PolarHBondContact O-N 3.42Å; H225-R228 WeakPolarHBondContact O-CA 3.4Å; H225-R228 WeakPolarHBondContact O-CB 3.47Å; H225-R228 PolarHBondContact O-N 3.32Å; H225-H229 AromaticContact CE1-NE2 3.6Å; H225-H229 AromaticContact NE2-NE2 3.78Å
226	Q	53.8	Low	58.2	Low	20 Å²	20	86.6 Å²	86.6	9%	0.093	44%	0.441	C	S	.	.	H	α-helix	trans	-60.2	-34.2	171.5	-71.5	173.7	-51.6	0	0	111.1	L222 I223 R228 H229 I230	L222-Q226 HydrophobicContact CD1-CG 4Å; L222-Q226 HydrophobicContact CG-CG 4.4Å; L222-Q226 WeakPolarHBondContact O-CG 3.45Å; L222-Q226 PolarHBondContact O-N 3.18Å; I223-Q226 PolarHBondContact O-N 3.37Å; Q226-R228 PolarHBondContact O-N 3.44Å; Q226-R228 VanDerWaalsContact O-N 3.07Å; Q226-H229 WeakPolarHBondContact O-CB 3.47Å; Q226-H229 PolarHBondContact O-N 2.67Å; Q226-I230 WeakPolarHBondContact O-CG1 3.49Å; Q226-I230 PolarHBondContact O-N 3.47Å
227	S	53.7	Low	57.8	Low	53 Å²	53	84.6 Å²	84.6	37%	0.371	43%	0.433	S	S	.	.	H	α-helix	trans	-72.2	9	169.6	77.8	0	0	0	0	115	I223 K224 H225	I223-S227 PolarHBondContact O-N 3.16Å; K224-S227 PolarHBondContact O-OG 3.24Å; K224-S227 VanDerWaalsContact O-OG 3.05Å; H225-S227 PolarHBondContact O-N 3.42Å
228	R	52.8	Low	57.4	Low	168 Å²	168	84.7 Å²	84.7	63%	0.634	45%	0.446	S	S	*	.	H	α-helix	trans	-91.5	-36.7	159.9	-63.1	177.2	58.4	163.9	-2.3	111.4	H225 Q226 R231	H225-R228 WeakPolarHBondContact O-CA 3.4Å; H225-R228 WeakPolarHBondContact O-CB 3.47Å; H225-R228 PolarHBondContact O-N 3.32Å; Q226-R228 PolarHBondContact O-N 3.44Å; Q226-R228 VanDerWaalsContact O-N 3.07Å; R228-R231 WeakPolarHBondContact O-CB 3.45Å; R228-R231 PolarHBondContact O-N 3.09Å
229	H	51.3	Low	56.8	Low	68 Å²	68	83.5 Å²	83.5	32%	0.315	45%	0.447	S	S	.	.	H	α-helix	trans	-67.7	-38.9	172.2	-65.5	-112	0	0	0	110.6	E211 H225 Q226 R231	E211-H229 IonicContact OE2-CE1 2.96Å; E211-H229 IonicContact OE2-CG 3.18Å; E211-H229 IonicContact OE2-ND1 3.4Å; E211-H229 PolarHBondContact OE2-ND1 3.19Å; H225-H229 AromaticContact CE1-NE2 3.6Å; H225-H229 AromaticContact NE2-NE2 3.78Å; Q226-H229 WeakPolarHBondContact O-CB 3.47Å; Q226-H229 PolarHBondContact O-N 2.67Å; H229-R231 PolarHBondContact O-N 3.39Å; H229-R231 VanDerWaalsContact O-N 3.12Å
230	I	48.1	Very low	56.6	Low	132 Å²	132	81.3 Å²	81.3	68%	0.677	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	4.1	174.5	-54.3	161.6	0	0	0	112.1	Q226 D232	Q226-I230 WeakPolarHBondContact O-CG1 3.49Å; Q226-I230 PolarHBondContact O-N 3.47Å; I230-D232 VanDerWaalsContact C-N 3.32Å
231	R	45.5	Very low	56.1	Low	173 Å²	173	80.1 Å²	80.1	65%	0.653	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.4	-179.5	-154.4	176.2	-62.8	-168.8	0.7	113.7	R228 H229 I233	R228-R231 WeakPolarHBondContact O-CB 3.45Å; R228-R231 PolarHBondContact O-N 3.09Å; H229-R231 PolarHBondContact O-N 3.39Å; H229-R231 VanDerWaalsContact O-N 3.12Å; R231-I233 PolarHBondContact O-N 3.49Å
232	D	43.4	Very low	55.7	Low	140 Å²	140	83.2 Å²	83.2	75%	0.749	45%	0.454	S	S	*	.			trans	-77.3	65.4	172	-70.1	-36.4	0	0	0	112.1	I230 A234	I230-D232 VanDerWaalsContact C-N 3.32Å; D232-A234 PolarHBondContact O-N 2.95Å
233	I	49.8	Very low	55	Low	130 Å²	130	87.9 Å²	87.9	67%	0.667	48%	0.483	S	S	*	.			trans	-74.4	57.5	154.4	-50.8	177.6	0	0	0	107.8	R231 F235	R231-I233 PolarHBondContact O-N 3.49Å; I233-F235 HydrophobicContact CG2-CE2 4.34Å; I233-F235 HydrophobicContact CG2-CZ 4.22Å; I233-F235 WeakPolarHBondContact O-CD2 3.47Å; I233-F235 PolarHBondContact O-N 3.33Å
234	A	54.3	Low	55.1	Low	35 Å²	35	85.2 Å²	85.2	29%	0.289	47%	0.468	S	S	.	.			trans	-81.1	109.9	174.5	0	0	0	0	0	107.3	D232 G236 T243 F244	D232-A234 PolarHBondContact O-N 2.95Å; A234-G236 PolarHBondContact O-N 3.08Å; A234-T243 HydrophobicContact CB-CG2 4.19Å; A234-F244 CarbonylContact C-O 3.59Å; A234-F244 WeakPolarHBondContact CA-O 3.44Å
235	F	57.9	Low	54.4	Low	65 Å²	65	82.2 Å²	82.2	29%	0.285	47%	0.465	S	S	.	.			trans	-64.7	103	-173.5	-66.9	-94.4	0	0	0	109.7	I233 F244 K247 F250	I233-F235 HydrophobicContact CG2-CE2 4.34Å; I233-F235 HydrophobicContact CG2-CZ 4.22Å; I233-F235 WeakPolarHBondContact O-CD2 3.47Å; I233-F235 PolarHBondContact O-N 3.33Å; F235-F244 PolarHBondContact N-O 3.18Å; F235-F244 PolarHBondContact O-N 3.2Å; F235-F244 VanDerWaalsContact O-N 3.16Å; F235-K247 HydrophobicContact CD1-CG 4.36Å; F235-K247 HydrophobicContact CD2-CB 4.38Å; F235-K247 HydrophobicContact CE1-CB 4.02Å; F235-K247 HydrophobicContact CE1-CD 4.16Å; F235-K247 HydrophobicContact CE1-CG 3.85Å; F235-K247 HydrophobicContact CE2-CB 3.83Å; F235-K247 HydrophobicContact CZ-CB 3.64Å; F235-K247 HydrophobicContact CZ-CD 4.26Å; F235-K247 HydrophobicContact CZ-CG 3.97Å; F235-F250 HydrophobicContact CB-CB 3.5Å; F235-F250 HydrophobicContact CB-CD1 4.04Å; F235-F250 HydrophobicContact CB-CD2 3.58Å; F235-F250 HydrophobicContact CB-CE2 4.29Å; F235-F250 HydrophobicContact CB-CG 3.43Å; F235-F250 VanDerWaalsContact CB-CG 3.43Å; F235-F250 HydrophobicContact CD1-CD1 4.32Å; F235-F250 HydrophobicContact CG-CB 4.08Å; F235-F250 HydrophobicContact CG-CD1 4.46Å; F235-F250 HydrophobicContact CG-CG 4.2Å; F235-F250 VanDerWaalsContact O-CD2 3.3Å; F235-F250 WeakPolarHBondContact O-CD2 3.19Å
236	G	52.9	Low	54.2	Low	48 Å²	48	86 Å²	86	50%	0.495	48%	0.483	S	S	.	.			trans	-83	125.3	-175.6	0	0	0	0	0	112.7	A234 G238	A234-G236 PolarHBondContact O-N 3.08Å; G236-G238 PolarHBondContact O-N 2.77Å
237	C	65.8	Low	54.3	Low	3 Å²	3	90.9 Å²	90.9	2%	0.02	50%	0.504	C	S	.	.	B	Isolated β-bridge	trans	-86.3	101.5	174.7	-174.2	0	0	0	0	110.9	N239 C240 G241 K242 F250 H257	C237-N239 PolarHBondContact O-N 3.02Å; C237-C240 PolarHBondContact O-N 3.08Å; C237-G241 PolarHBondContact O-N 3.47Å; C237-K242 PolarHBondContact N-O 3.33Å; C237-F250 HydrophobicContact CB-CE2 4.02Å; C237-H257 VanDerWaalsContact SG-CD2 3.52Å; C237-H257 PolarHBondContact SG-NE2 3.04Å; C237-H257 VanDerWaalsContact SG-NE2 3.35Å
238	G	54.9	Low	54.8	Low	79 Å²	79	91.7 Å²	91.7	81%	0.814	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.5	-179.7	0	0	0	0	0	114.5	G236 C240	G236-G238 PolarHBondContact O-N 2.77Å; G238-C240 VanDerWaalsContact C-N 3.29Å; G238-C240 PolarHBondContact O-N 3.32Å
239	N	55.4	Low	55.1	Low	115 Å²	115	87.3 Å²	87.3	62%	0.615	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.9	179.7	-62.8	9.8	0	0	0	114.5	C237	C237-N239 PolarHBondContact O-N 3.02Å
240	C	61	Low	55.9	Low	54 Å²	54	85.8 Å²	85.8	37%	0.365	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.6	17.7	-178.9	75.5	0	0	0	0	115.9	C237 G238 K242 H253	C237-C240 PolarHBondContact O-N 3.08Å; G238-C240 VanDerWaalsContact C-N 3.29Å; G238-C240 PolarHBondContact O-N 3.32Å; C240-K242 PolarHBondContact O-N 2.66Å; C240-H253 PolarHBondContact SG-NE2 3.41Å
241	G	56.7	Low	56.7	Low	67 Å²	67	82.5 Å²	82.5	69%	0.691	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	3.3	174.9	0	0	0	0	0	116.8	C237	C237-G241 PolarHBondContact O-N 3.47Å
242	K	60.4	Low	57.7	Low	121 Å²	121	76.2 Å²	76.2	53%	0.526	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-81	127	-174.8	-70.3	-175.9	-178.7	-175.3	0	111.9	C237 C240 F244	C237-K242 PolarHBondContact N-O 3.33Å; C240-K242 PolarHBondContact O-N 2.66Å; K242-F244 HydrophobicContact CB-CE2 3.55Å; K242-F244 HydrophobicContact CB-CZ 3.85Å; K242-F244 HydrophobicContact CD-CZ 4.4Å; K242-F244 WeakPolarHBondContact O-CE2 3.24Å
243	T	52.5	Low	59	Low	97 Å²	97	70.9 Å²	70.9	60%	0.595	42%	0.423	S	S	*	.			trans	-93.4	144.3	174.6	44.7	0	0	0	0	110.8	A234	A234-T243 HydrophobicContact CB-CG2 4.19Å
244	F	62.7	Low	59.7	Low	33 Å²	33	65.7 Å²	65.7	15%	0.145	40%	0.396	C	S	.	.			trans	-134.4	130.8	-179.3	-65.2	-89.5	0	0	0	111.3	A234 F235 K242 Q246 Q249 F250 H253	A234-F244 CarbonylContact C-O 3.59Å; A234-F244 WeakPolarHBondContact CA-O 3.44Å; F235-F244 PolarHBondContact N-O 3.18Å; F235-F244 PolarHBondContact O-N 3.2Å; F235-F244 VanDerWaalsContact O-N 3.16Å; K242-F244 HydrophobicContact CB-CE2 3.55Å; K242-F244 HydrophobicContact CB-CZ 3.85Å; K242-F244 HydrophobicContact CD-CZ 4.4Å; K242-F244 WeakPolarHBondContact O-CE2 3.24Å; F244-Q246 PolarHBondContact O-N 3.02Å; F244-Q249 HydrophobicContact CB-CB 4.31Å; F244-Q249 HydrophobicContact CD1-CB 4Å; F244-F250 HydrophobicContact CB-CB 4.08Å; F244-F250 HydrophobicContact CD2-CB 4.42Å; F244-F250 HydrophobicContact CD2-CD2 4.09Å; F244-F250 HydrophobicContact CG-CB 4.4Å; F244-H253 HydrophobicContact CE1-CB 3.93Å; F244-H253 HydrophobicContact CE2-CB 3.91Å; F244-H253 AromaticContact CE2-CD2 3.22Å; F244-H253 WeakPolarHBondContact CE2-CD2 3.26Å; F244-H253 AromaticContact CE2-CG 3.62Å; F244-H253 HydrophobicContact CZ-CB 3.51Å; F244-H253 AromaticContact CZ-CD2 3.36Å; F244-H253 WeakPolarHBondContact CZ-CD2 3.46Å; F244-H253 AromaticContact CZ-CG 3.27Å; F244-H253 AromaticContact CZ-ND1 3.96Å
245	P	48.2	Very low	60.8	Low	103 Å²	103	66.1 Å²	66.1	67%	0.669	39%	0.391	S	S	*	.	S	Bend	trans	-74	-4.8	-177.1	31	-37	0	0	0	114
246	Q	56.7	Low	61.1	Low	101 Å²	101	67.5 Å²	67.5	47%	0.472	40%	0.404	S	S	.	.	S	Bend	trans	-140.7	136.6	-178.8	-63.5	-178.8	-7.8	0	0	111.6	F244 S248 Q249 F250	F244-Q246 PolarHBondContact O-N 3.02Å; Q246-S248 PolarHBondContact O-N 2.75Å; Q246-Q249 HydrophobicContact CB-CB 4.35Å; Q246-Q249 HydrophobicContact CB-CG 3.96Å; Q246-Q249 VanDerWaalsContact CD-NE2 3.31Å; Q246-Q249 WeakPolarHBondContact O-CB 3.33Å; Q246-Q249 PolarHBondContact O-N 2.85Å; Q246-F250 PolarHBondContact O-N 3.08Å
247	K	56.7	Low	61.6	Low	123 Å²	123	68.5 Å²	68.5	54%	0.535	40%	0.396	S	S	.	.	H	α-helix	trans	-57.3	-33	177.7	-165	175.9	-179.4	178.3	0	112.9	F235 I251	F235-K247 HydrophobicContact CD1-CG 4.36Å; F235-K247 HydrophobicContact CD2-CB 4.38Å; F235-K247 HydrophobicContact CE1-CB 4.02Å; F235-K247 HydrophobicContact CE1-CD 4.16Å; F235-K247 HydrophobicContact CE1-CG 3.85Å; F235-K247 HydrophobicContact CE2-CB 3.83Å; F235-K247 HydrophobicContact CZ-CB 3.64Å; F235-K247 HydrophobicContact CZ-CD 4.26Å; F235-K247 HydrophobicContact CZ-CG 3.97Å; K247-I251 HydrophobicContact CG-CD1 3.94Å; K247-I251 HydrophobicContact CG-CG1 4.46Å; K247-I251 WeakPolarHBondContact O-CB 3.5Å; K247-I251 VanDerWaalsContact O-CG1 3.24Å; K247-I251 WeakPolarHBondContact O-CG1 3.49Å; K247-I251 PolarHBondContact O-N 2.9Å
248	S	63.5	Low	61.5	Low	71 Å²	71	71.7 Å²	71.7	50%	0.497	42%	0.415	S	S	.	.	H	α-helix	trans	-64.6	-43.2	175	50.7	0	0	0	0	112.9	Q246 T252	Q246-S248 PolarHBondContact O-N 2.75Å; S248-T252 WeakPolarHBondContact O-CB 3.36Å; S248-T252 WeakPolarHBondContact O-CG2 3.25Å; S248-T252 PolarHBondContact O-N 2.87Å; S248-T252 PolarHBondContact O-OG1 3.41Å
249	Q	60.5	Low	62.1	Low	76 Å²	76	69.9 Å²	69.9	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-68.4	-42.7	176.5	-61.3	176.8	14.5	0	0	110.4	F244 Q246 T252 H253	F244-Q249 HydrophobicContact CB-CB 4.31Å; F244-Q249 HydrophobicContact CD1-CB 4Å; Q246-Q249 HydrophobicContact CB-CB 4.35Å; Q246-Q249 HydrophobicContact CB-CG 3.96Å; Q246-Q249 VanDerWaalsContact CD-NE2 3.31Å; Q246-Q249 WeakPolarHBondContact O-CB 3.33Å; Q246-Q249 PolarHBondContact O-N 2.85Å; Q249-T252 PolarHBondContact O-N 2.89Å; Q249-T252 PolarHBondContact O-OG1 3.32Å; Q249-H253 WeakPolarHBondContact O-CB 3.44Å; Q249-H253 PolarHBondContact O-N 3.43Å
250	F	66.1	Low	62.7	Low	35 Å²	35	68.4 Å²	68.4	15%	0.154	39%	0.386	C	S	.	.	H	α-helix	trans	-59.1	-51.1	172.8	175.9	-105.9	0	0	0	112.9	F235 C237 F244 Q246 T252 H253 H254	F235-F250 HydrophobicContact CB-CB 3.5Å; F235-F250 HydrophobicContact CB-CD1 4.04Å; F235-F250 HydrophobicContact CB-CD2 3.58Å; F235-F250 HydrophobicContact CB-CE2 4.29Å; F235-F250 HydrophobicContact CB-CG 3.43Å; F235-F250 VanDerWaalsContact CB-CG 3.43Å; F235-F250 HydrophobicContact CD1-CD1 4.32Å; F235-F250 HydrophobicContact CG-CB 4.08Å; F235-F250 HydrophobicContact CG-CD1 4.46Å; F235-F250 HydrophobicContact CG-CG 4.2Å; F235-F250 VanDerWaalsContact O-CD2 3.3Å; F235-F250 WeakPolarHBondContact O-CD2 3.19Å; C237-F250 HydrophobicContact CB-CE2 4.02Å; F244-F250 HydrophobicContact CB-CB 4.08Å; F244-F250 HydrophobicContact CD2-CB 4.42Å; F244-F250 HydrophobicContact CD2-CD2 4.09Å; F244-F250 HydrophobicContact CG-CB 4.4Å; Q246-F250 PolarHBondContact O-N 3.08Å; F250-T252 PolarHBondContact O-N 3.25Å; F250-H253 CarbonylContact O-C 3.6Å; F250-H253 PolarHBondContact O-N 3.07Å; F250-H254 WeakPolarHBondContact O-CB 3.46Å; F250-H254 PolarHBondContact O-N 3.11Å
251	I	66.1	Low	63.4	Low	63 Å²	63	71.5 Å²	71.5	32%	0.323	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-45.9	179.2	-72.3	166.4	0	0	0	110.4	K247 H253 H254 R255	K247-I251 HydrophobicContact CG-CD1 3.94Å; K247-I251 HydrophobicContact CG-CG1 4.46Å; K247-I251 WeakPolarHBondContact O-CB 3.5Å; K247-I251 VanDerWaalsContact O-CG1 3.24Å; K247-I251 WeakPolarHBondContact O-CG1 3.49Å; K247-I251 PolarHBondContact O-N 2.9Å; I251-H253 VanDerWaalsContact C-N 3.27Å; I251-H253 PolarHBondContact O-N 3.49Å; I251-H254 PolarHBondContact O-N 3.12Å; I251-H254 VanDerWaalsContact O-N 3.16Å; I251-R255 WeakPolarHBondContact O-CG 3.49Å; I251-R255 PolarHBondContact O-N 3.29Å; I251-R255 VanDerWaalsContact O-N 3.11Å
252	T	66.3	Low	64.3	Low	41 Å²	41	71.5 Å²	71.5	25%	0.252	38%	0.381	S	S	.	.	H	α-helix	trans	-68.6	-24.2	179.1	54	0	0	0	0	113.6	S248 Q249 F250 Q274	S248-T252 WeakPolarHBondContact O-CB 3.36Å; S248-T252 WeakPolarHBondContact O-CG2 3.25Å; S248-T252 PolarHBondContact O-N 2.87Å; S248-T252 PolarHBondContact O-OG1 3.41Å; Q249-T252 PolarHBondContact O-N 2.89Å; Q249-T252 PolarHBondContact O-OG1 3.32Å; F250-T252 PolarHBondContact O-N 3.25Å; T252-Q274 HydrophobicContact CG2-CG 4.04Å
253	H	69.9	Low	65.2	Low	28 Å²	28	69.7 Å²	69.7	13%	0.13	37%	0.372	C	S	.	.	H	α-helix	trans	-75.6	-42.4	166.3	174.8	56.8	0	0	0	112.6	C240 F244 Q249 F250 I251 R255 T256 H257	C240-H253 PolarHBondContact SG-NE2 3.41Å; F244-H253 HydrophobicContact CE1-CB 3.93Å; F244-H253 HydrophobicContact CE2-CB 3.91Å; F244-H253 AromaticContact CE2-CD2 3.22Å; F244-H253 WeakPolarHBondContact CE2-CD2 3.26Å; F244-H253 AromaticContact CE2-CG 3.62Å; F244-H253 HydrophobicContact CZ-CB 3.51Å; F244-H253 AromaticContact CZ-CD2 3.36Å; F244-H253 WeakPolarHBondContact CZ-CD2 3.46Å; F244-H253 AromaticContact CZ-CG 3.27Å; F244-H253 AromaticContact CZ-ND1 3.96Å; Q249-H253 WeakPolarHBondContact O-CB 3.44Å; Q249-H253 PolarHBondContact O-N 3.43Å; F250-H253 CarbonylContact O-C 3.6Å; F250-H253 PolarHBondContact O-N 3.07Å; I251-H253 VanDerWaalsContact C-N 3.27Å; I251-H253 PolarHBondContact O-N 3.49Å; H253-R255 PolarHBondContact O-N 3.45Å; H253-T256 PolarHBondContact ND1-OG1 2.98Å; H253-T256 WeakPolarHBondContact O-CA 3.37Å; H253-T256 VanDerWaalsContact O-CB 3.3Å; H253-T256 WeakPolarHBondContact O-CB 3.41Å; H253-T256 PolarHBondContact O-N 3.48Å; H253-T256 PolarHBondContact O-OG1 3.22Å; H253-H257 AromaticContact CE1-NE2 3.38Å; H253-H257 PolarHBondContact CE1-NE2 3.07Å; H253-H257 AromaticContact NE2-CD2 3.82Å; H253-H257 AromaticContact NE2-NE2 3.08Å; H253-H257 PolarHBondContact NE2-NE2 3.16Å
254	H	66.1	Low	66.2	Low	21 Å²	21	70.2 Å²	70.2	10%	0.097	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-37	-178.1	-169.5	-106.9	0	0	0	112	W176 F250 I251 T256 H257 T258	W176-H254 AromaticContact CH2-CE1 3.11Å; W176-H254 WeakPolarHBondContact CH2-CE1 3.16Å; W176-H254 AromaticContact CH2-ND1 3.88Å; W176-H254 AromaticContact CH2-NE2 3.33Å; W176-H254 VanDerWaalsContact CH2-NE2 3.33Å; W176-H254 WeakPolarHBondContact CH2-NE2 3.38Å; W176-H254 AromaticContact CZ2-CE1 3.59Å; W176-H254 AromaticContact CZ2-NE2 3.9Å; W176-H254 AromaticContact CZ3-CE1 3.74Å; F250-H254 WeakPolarHBondContact O-CB 3.46Å; F250-H254 PolarHBondContact O-N 3.11Å; I251-H254 PolarHBondContact O-N 3.12Å; I251-H254 VanDerWaalsContact O-N 3.16Å; H254-T256 PolarHBondContact O-N 3.26Å; H254-H257 WeakPolarHBondContact O-CA 3.26Å; H254-H257 WeakPolarHBondContact O-CB 3.41Å; H254-H257 PolarHBondContact O-N 3.08Å; H254-T258 WeakPolarHBondContact CE1-CG2 3.33Å; H254-T258 PolarHBondContact O-N 3.02Å; H254-T258 VanDerWaalsContact O-N 3.11Å
255	R	75.8	Confident	67	Low	45 Å²	45	68.7 Å²	68.7	17%	0.17	37%	0.365	C	S	.	.	H	α-helix	trans	-58.3	-16.2	171	-65.9	-174.4	178.8	144.7	7.2	115	I251 H253 H257 G259 E260 S273	I251-R255 WeakPolarHBondContact O-CG 3.49Å; I251-R255 PolarHBondContact O-N 3.29Å; I251-R255 VanDerWaalsContact O-N 3.11Å; H253-R255 PolarHBondContact O-N 3.45Å; R255-H257 VanDerWaalsContact C-N 3.34Å; R255-G259 WeakPolarHBondContact O-CA 3.37Å; R255-G259 PolarHBondContact O-N 3.28Å; R255-G259 VanDerWaalsContact O-N 3.11Å; R255-E260 HydrophobicContact CB-CB 4.08Å; R255-E260 HydrophobicContact CG-CB 3.7Å; R255-E260 IonicContact NE-OE2 2.64Å; R255-E260 PolarHBondContact NE-OE2 3.26Å; R255-S273 PolarHBondContact NH1-O 3Å
256	T	64.8	Low	68.2	Low	93 Å²	93	69.1 Å²	69.1	57%	0.571	37%	0.37	S	S	*	.	H	α-helix	trans	-78.8	-18.4	172	70.7	0	0	0	0	113	H253 H254	H253-T256 PolarHBondContact ND1-OG1 2.98Å; H253-T256 WeakPolarHBondContact O-CA 3.37Å; H253-T256 VanDerWaalsContact O-CB 3.3Å; H253-T256 WeakPolarHBondContact O-CB 3.41Å; H253-T256 PolarHBondContact O-N 3.48Å; H253-T256 PolarHBondContact O-OG1 3.22Å; H254-T256 PolarHBondContact O-N 3.26Å
257	H	62.8	Low	68.9	Low	70 Å²	70	71.3 Å²	71.3	32%	0.324	38%	0.38	S	S	.	.	H	α-helix	trans	-94.1	-44.9	172.4	-58.7	-75.1	0	0	0	111.9	C237 H253 H254 R255 G259	C237-H257 VanDerWaalsContact SG-CD2 3.52Å; C237-H257 PolarHBondContact SG-NE2 3.04Å; C237-H257 VanDerWaalsContact SG-NE2 3.35Å; H253-H257 AromaticContact CE1-NE2 3.38Å; H253-H257 PolarHBondContact CE1-NE2 3.07Å; H253-H257 AromaticContact NE2-CD2 3.82Å; H253-H257 AromaticContact NE2-NE2 3.08Å; H253-H257 PolarHBondContact NE2-NE2 3.16Å; H254-H257 WeakPolarHBondContact O-CA 3.26Å; H254-H257 WeakPolarHBondContact O-CB 3.41Å; H254-H257 PolarHBondContact O-N 3.08Å; R255-H257 VanDerWaalsContact C-N 3.34Å; H257-G259 VanDerWaalsContact C-N 3.32Å; H257-G259 PolarHBondContact O-N 3.27Å
258	T	64.1	Low	69.7	Low	69 Å²	69	67.6 Å²	67.6	42%	0.423	37%	0.369	S	S	.	.	H	α-helix	trans	-77.5	-14.9	179.3	58.8	0	0	0	0	113.9	H254 E260	H254-T258 WeakPolarHBondContact CE1-CG2 3.33Å; H254-T258 PolarHBondContact O-N 3.02Å; H254-T258 VanDerWaalsContact O-N 3.11Å; T258-E260 WeakPolarHBondContact CB-OE1 3.43Å; T258-E260 PolarHBondContact O-N 3.05Å; T258-E260 WeakPolarHBondContact OG1-CG 3.37Å; T258-E260 PolarHBondContact OG1-OE1 2.85Å
259	G	67.3	Low	70	Confident	41 Å²	41	67.2 Å²	67.2	42%	0.423	38%	0.376	S	S	.	.			trans	74.4	-0.3	-177.5	0	0	0	0	0	114.9	R255 H257 K261	R255-G259 WeakPolarHBondContact O-CA 3.37Å; R255-G259 PolarHBondContact O-N 3.28Å; R255-G259 VanDerWaalsContact O-N 3.11Å; H257-G259 VanDerWaalsContact C-N 3.32Å; H257-G259 PolarHBondContact O-N 3.27Å; G259-K261 WeakPolarHBondContact O-CD 3.11Å; G259-K261 WeakPolarHBondContact O-CG 3.31Å; G259-K261 PolarHBondContact O-N 3.1Å
260	E	68.9	Low	70.5	Confident	84 Å²	84	69.2 Å²	69.2	39%	0.393	38%	0.384	S	S	.	.			trans	-48.9	128.9	176.8	-87.6	169	-110.3	0	0	113.3	R255 T258 S273	R255-E260 HydrophobicContact CB-CB 4.08Å; R255-E260 HydrophobicContact CG-CB 3.7Å; R255-E260 IonicContact NE-OE2 2.64Å; R255-E260 PolarHBondContact NE-OE2 3.26Å; T258-E260 WeakPolarHBondContact CB-OE1 3.43Å; T258-E260 PolarHBondContact O-N 3.05Å; T258-E260 WeakPolarHBondContact OG1-CG 3.37Å; T258-E260 PolarHBondContact OG1-OE1 2.85Å; E260-S273 WeakPolarHBondContact O-CB 3.41Å
261	K	76.5	Confident	70.9	Confident	119 Å²	119	69.2 Å²	69.2	52%	0.517	39%	0.39	S	S	.	.			trans	-134.6	77.4	-178.8	-73.3	154.1	-177.3	171.7	0	111.6	G259 Y263 A271 F272	G259-K261 WeakPolarHBondContact O-CD 3.11Å; G259-K261 WeakPolarHBondContact O-CG 3.31Å; G259-K261 PolarHBondContact O-N 3.1Å; K261-Y263 PolarHBondContact O-N 3.02Å; K261-A271 HydrophobicContact CB-CB 3.46Å; K261-A271 VanDerWaalsContact CB-CB 3.46Å; K261-A271 HydrophobicContact CD-CB 4.07Å; K261-A271 WeakPolarHBondContact CD-O 3.39Å; K261-A271 HydrophobicContact CG-CB 4.29Å; K261-F272 CarbonylContact C-O 3.58Å; K261-F272 VanDerWaalsContact CA-O 3.24Å; K261-F272 WeakPolarHBondContact CA-O 3.24Å
262	P	75.1	Confident	71.6	Confident	68 Å²	68	68.2 Å²	68.2	44%	0.442	38%	0.383	S	S	.	.			trans	-69.8	-11.1	-173.8	-21.4	35.3	0	0	0	115.5
263	Y	77.9	Confident	71.9	Confident	83 Å²	83	67 Å²	67	33%	0.325	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	93.9	-172.4	-58.8	-77.9	0	0	0	110.8	K261 F272 K275	K261-Y263 PolarHBondContact O-N 3.02Å; Y263-F272 WeakPolarHBondContact CB-O 3.38Å; Y263-F272 WeakPolarHBondContact CD2-O 3.25Å; Y263-F272 PolarHBondContact N-O 2.81Å; Y263-F272 PolarHBondContact O-N 3.37Å; Y263-K275 HydrophobicContact CD1-CB 3.92Å; Y263-K275 HydrophobicContact CD1-CG 4.3Å; Y263-K275 HydrophobicContact CE1-CB 3.73Å; Y263-K275 HydrophobicContact CE1-CG 4.28Å; Y263-K275 HydrophobicContact CE2-CB 4.49Å; Y263-K275 HydrophobicContact CG-CB 4.38Å
264	N	74.2	Confident	72.2	Confident	107 Å²	107	68.6 Å²	68.6	57%	0.572	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	142.2	-177.8	-66.7	-25	0	0	0	112.8	A271 L278	N264-A271 WeakPolarHBondContact OD1-CB 3.26Å; N264-L278 WeakPolarHBondContact O-CD2 3.3Å
265	C	80.1	Confident	72.7	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.014	41%	0.409	C	S	.	.			trans	-91.2	111.1	171.6	-165.4	0	0	0	0	110.8	Q267 C268 G269 K270 L278	C265-Q267 PolarHBondContact O-N 2.99Å; C265-Q267 VanDerWaalsContact O-N 3.14Å; C265-C268 PolarHBondContact O-N 3.37Å; C265-G269 WeakPolarHBondContact O-CA 3.41Å; C265-G269 PolarHBondContact O-N 2.93Å; C265-K270 WeakPolarHBondContact CB-O 3.37Å; C265-K270 PolarHBondContact N-O 2.99Å; C265-L278 HydrophobicContact CB-CD1 3.53Å
266	S	73.6	Confident	72.5	Confident	111 Å²	111	75.8 Å²	75.8	78%	0.776	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.4	178.8	48.8	0	0	0	0	114.3
267	Q	70.5	Confident	72.8	Confident	148 Å²	148	74.5 Å²	74.5	69%	0.692	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-10.5	-177.3	-64.7	-66.6	-8.7	0	0	114.5	C265	C265-Q267 PolarHBondContact O-N 2.99Å; C265-Q267 VanDerWaalsContact O-N 3.14Å
268	C	72.8	Confident	73.5	Confident	44 Å²	44	72 Å²	72	30%	0.297	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.1	11.5	-176.8	69.7	0	0	0	0	116.1	C265 K270 H281 H285	C265-C268 PolarHBondContact O-N 3.37Å; C268-K270 PolarHBondContact O-N 3.18Å; C268-H281 PolarHBondContact SG-NE2 3.38Å; C268-H285 WeakPolarHBondContact CB-NE2 3.5Å; C268-H285 PolarHBondContact SG-NE2 2.87Å
269	G	71.4	Confident	74	Confident	63 Å²	63	71.5 Å²	71.5	65%	0.649	40%	0.399	S	S	*	.			trans	68.8	-6.5	-179.4	0	0	0	0	0	116.1	C265 A271	C265-G269 WeakPolarHBondContact O-CA 3.41Å; C265-G269 PolarHBondContact O-N 2.93Å; G269-A271 PolarHBondContact O-N 2.98Å
270	K	70.6	Confident	74.1	Confident	119 Å²	119	70.2 Å²	70.2	52%	0.517	38%	0.384	S	S	.	.			trans	-69.5	127.3	-174	-71.3	174.3	-177.1	164.7	0	112.1	C265 C268 F272	C265-K270 WeakPolarHBondContact CB-O 3.37Å; C265-K270 PolarHBondContact N-O 2.99Å; C268-K270 PolarHBondContact O-N 3.18Å; K270-F272 HydrophobicContact CB-CE2 3.82Å; K270-F272 HydrophobicContact CB-CZ 4.06Å; K270-F272 WeakPolarHBondContact O-CD2 3.29Å; K270-F272 VanDerWaalsContact O-CE2 3.27Å; K270-F272 WeakPolarHBondContact O-CE2 3.5Å
271	A	74.9	Confident	74.4	Confident	35 Å²	35	67.3 Å²	67.3	29%	0.289	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.2	-175.1	0	0	0	0	0	111.9	K261 N264 G269	K261-A271 HydrophobicContact CB-CB 3.46Å; K261-A271 VanDerWaalsContact CB-CB 3.46Å; K261-A271 HydrophobicContact CD-CB 4.07Å; K261-A271 WeakPolarHBondContact CD-O 3.39Å; K261-A271 HydrophobicContact CG-CB 4.29Å; N264-A271 WeakPolarHBondContact OD1-CB 3.26Å; G269-A271 PolarHBondContact O-N 2.98Å
272	F	79.1	Confident	74.2	Confident	41 Å²	41	65.2 Å²	65.2	18%	0.18	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.3	-178.2	-60	-90.4	0	0	0	112.5	K261 Y263 K270 Q277 L278 H281	K261-F272 CarbonylContact C-O 3.58Å; K261-F272 VanDerWaalsContact CA-O 3.24Å; K261-F272 WeakPolarHBondContact CA-O 3.24Å; Y263-F272 WeakPolarHBondContact CB-O 3.38Å; Y263-F272 WeakPolarHBondContact CD2-O 3.25Å; Y263-F272 PolarHBondContact N-O 2.81Å; Y263-F272 PolarHBondContact O-N 3.37Å; K270-F272 HydrophobicContact CB-CE2 3.82Å; K270-F272 HydrophobicContact CB-CZ 4.06Å; K270-F272 WeakPolarHBondContact O-CD2 3.29Å; K270-F272 VanDerWaalsContact O-CE2 3.27Å; K270-F272 WeakPolarHBondContact O-CE2 3.5Å; F272-Q277 HydrophobicContact CB-CB 4.08Å; F272-Q277 HydrophobicContact CD1-CB 3.79Å; F272-Q277 HydrophobicContact CG-CB 4.2Å; F272-L278 HydrophobicContact CB-CB 4.32Å; F272-L278 HydrophobicContact CD2-CB 4Å; F272-L278 HydrophobicContact CD2-CD1 3.96Å; F272-L278 HydrophobicContact CE2-CD1 4.21Å; F272-L278 HydrophobicContact CG-CB 4.31Å; F272-H281 HydrophobicContact CE1-CB 4.12Å; F272-H281 HydrophobicContact CE2-CB 3.96Å; F272-H281 AromaticContact CE2-CD2 3.31Å; F272-H281 WeakPolarHBondContact CE2-CD2 3.45Å; F272-H281 AromaticContact CE2-CG 3.85Å; F272-H281 HydrophobicContact CZ-CB 3.57Å; F272-H281 AromaticContact CZ-CD2 3.27Å; F272-H281 WeakPolarHBondContact CZ-CD2 3.49Å; F272-H281 AromaticContact CZ-CG 3.42Å; F272-H281 VanDerWaalsContact CZ-CG 3.42Å
273	S	74.6	Confident	74.5	Confident	15 Å²	15	64.6 Å²	64.6	11%	0.105	35%	0.351	C	S	.	.	S	Bend	trans	-82.3	-14.1	180	60	0	0	0	0	114.1	R255 E260	R255-S273 PolarHBondContact NH1-O 3Å; E260-S273 WeakPolarHBondContact O-CB 3.41Å
274	Q	75.8	Confident	74	Confident	62 Å²	62	64.7 Å²	64.7	29%	0.29	36%	0.361	S	S	.	.	S	Bend	trans	-137.3	139.8	-179.6	-60.8	175.6	-8.8	0	0	111.7	T252 S276 Q277 L278	T252-Q274 HydrophobicContact CG2-CG 4.04Å; Q274-S276 VanDerWaalsContact C-N 3.3Å; Q274-S276 PolarHBondContact O-N 3.37Å; Q274-Q277 HydrophobicContact CB-CG 4.03Å; Q274-Q277 WeakPolarHBondContact O-CB 3.48Å; Q274-Q277 PolarHBondContact O-N 3.24Å; Q274-Q277 VanDerWaalsContact O-N 3.09Å; Q274-L278 PolarHBondContact O-N 2.86Å
275	K	75	Confident	73.9	Confident	141 Å²	141	64.2 Å²	64.2	61%	0.613	36%	0.355	S	S	*	.	H	α-helix	trans	-57.6	-39.1	178.4	-169.5	175.4	179.7	178.5	0	112.8	Y263 Q277 L278 T279	Y263-K275 HydrophobicContact CD1-CB 3.92Å; Y263-K275 HydrophobicContact CD1-CG 4.3Å; Y263-K275 HydrophobicContact CE1-CB 3.73Å; Y263-K275 HydrophobicContact CE1-CG 4.28Å; Y263-K275 HydrophobicContact CE2-CB 4.49Å; Y263-K275 HydrophobicContact CG-CB 4.38Å; K275-Q277 VanDerWaalsContact C-N 3.27Å; K275-Q277 PolarHBondContact O-N 3.22Å; K275-L278 PolarHBondContact O-N 2.91Å; K275-T279 PolarHBondContact O-N 3.47Å; K275-T279 PolarHBondContact O-OG1 2.79Å
276	S	71.7	Confident	73.4	Confident	77 Å²	77	68.2 Å²	68.2	54%	0.538	38%	0.379	S	S	.	.	H	α-helix	trans	-58.7	-35.1	176.5	51.8	0	0	0	0	113.5	Q274 S280	Q274-S276 VanDerWaalsContact C-N 3.3Å; Q274-S276 PolarHBondContact O-N 3.37Å; S276-S280 WeakPolarHBondContact O-CB 3.37Å; S276-S280 PolarHBondContact O-N 3.15Å
277	Q	71.6	Confident	73.3	Confident	65 Å²	65	65.1 Å²	65.1	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-72.7	-41.3	177.2	-61.9	172.9	17	0	0	111	F272 Q274 K275 S280 H281	F272-Q277 HydrophobicContact CB-CB 4.08Å; F272-Q277 HydrophobicContact CD1-CB 3.79Å; F272-Q277 HydrophobicContact CG-CB 4.2Å; Q274-Q277 HydrophobicContact CB-CG 4.03Å; Q274-Q277 WeakPolarHBondContact O-CB 3.48Å; Q274-Q277 PolarHBondContact O-N 3.24Å; Q274-Q277 VanDerWaalsContact O-N 3.09Å; K275-Q277 VanDerWaalsContact C-N 3.27Å; K275-Q277 PolarHBondContact O-N 3.22Å; Q277-S280 PolarHBondContact O-N 3.22Å; Q277-H281 WeakPolarHBondContact O-CB 3.16Å; Q277-H281 PolarHBondContact O-N 3.15Å
278	L	77.3	Confident	73.4	Confident	17 Å²	17	62.5 Å²	62.5	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-49.4	172.5	172.7	61.2	0	0	0	111.3	N264 C265 F272 Q274 K275 S280 H281 Q282	N264-L278 WeakPolarHBondContact O-CD2 3.3Å; C265-L278 HydrophobicContact CB-CD1 3.53Å; F272-L278 HydrophobicContact CB-CB 4.32Å; F272-L278 HydrophobicContact CD2-CB 4Å; F272-L278 HydrophobicContact CD2-CD1 3.96Å; F272-L278 HydrophobicContact CE2-CD1 4.21Å; F272-L278 HydrophobicContact CG-CB 4.31Å; Q274-L278 PolarHBondContact O-N 2.86Å; K275-L278 PolarHBondContact O-N 2.91Å; L278-S280 VanDerWaalsContact C-N 3.3Å; L278-S280 PolarHBondContact O-N 2.85Å; L278-H281 CarbonylContact O-C 3.59Å; L278-H281 WeakPolarHBondContact O-CA 3.32Å; L278-H281 WeakPolarHBondContact O-CB 3.25Å; L278-H281 PolarHBondContact O-N 3.02Å; L278-Q282 HydrophobicContact CD1-CG 4.07Å; L278-Q282 HydrophobicContact CG-CG 4.42Å; L278-Q282 WeakPolarHBondContact O-CG 3.21Å; L278-Q282 PolarHBondContact O-N 3.23Å
279	T	74.8	Confident	73.6	Confident	59 Å²	59	66.6 Å²	66.6	36%	0.362	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-40.9	176.9	-56.2	0	0	0	0	111.7	K275 H281 Q282	K275-T279 PolarHBondContact O-N 3.47Å; K275-T279 PolarHBondContact O-OG1 2.79Å; T279-H281 PolarHBondContact O-N 3.06Å; T279-Q282 PolarHBondContact O-N 3.35Å
280	S	69.5	Low	73.9	Confident	15 Å²	15	66.9 Å²	66.9	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-23.5	172.4	175	0	0	0	0	113.8	S276 Q277 L278 R302	S276-S280 WeakPolarHBondContact O-CB 3.37Å; S276-S280 PolarHBondContact O-N 3.15Å; Q277-S280 PolarHBondContact O-N 3.22Å; L278-S280 VanDerWaalsContact C-N 3.3Å; L278-S280 PolarHBondContact O-N 2.85Å; S280-R302 PolarHBondContact OG-NE 3.12Å; S280-R302 PolarHBondContact OG-NH2 2.98Å
281	H	74.8	Confident	74.2	Confident	23 Å²	23	65 Å²	65	11%	0.106	35%	0.346	C	S	.	.	H	α-helix	trans	-85.8	-36.2	177	176.7	42.6	0	0	0	112.2	C268 F272 Q277 L278 T279 R283 T284 H285	C268-H281 PolarHBondContact SG-NE2 3.38Å; F272-H281 HydrophobicContact CE1-CB 4.12Å; F272-H281 HydrophobicContact CE2-CB 3.96Å; F272-H281 AromaticContact CE2-CD2 3.31Å; F272-H281 WeakPolarHBondContact CE2-CD2 3.45Å; F272-H281 AromaticContact CE2-CG 3.85Å; F272-H281 HydrophobicContact CZ-CB 3.57Å; F272-H281 AromaticContact CZ-CD2 3.27Å; F272-H281 WeakPolarHBondContact CZ-CD2 3.49Å; F272-H281 AromaticContact CZ-CG 3.42Å; F272-H281 VanDerWaalsContact CZ-CG 3.42Å; Q277-H281 WeakPolarHBondContact O-CB 3.16Å; Q277-H281 PolarHBondContact O-N 3.15Å; L278-H281 CarbonylContact O-C 3.59Å; L278-H281 WeakPolarHBondContact O-CA 3.32Å; L278-H281 WeakPolarHBondContact O-CB 3.25Å; L278-H281 PolarHBondContact O-N 3.02Å; T279-H281 PolarHBondContact O-N 3.06Å; H281-R283 PolarHBondContact O-N 3.31Å; H281-R283 VanDerWaalsContact O-N 3.16Å; H281-T284 PolarHBondContact CE1-OG1 2.85Å; H281-T284 VanDerWaalsContact CE1-OG1 3.23Å; H281-T284 PolarHBondContact ND1-OG1 3.15Å; H281-T284 WeakPolarHBondContact O-CA 3.46Å; H281-T284 WeakPolarHBondContact O-CB 3.37Å; H281-T284 PolarHBondContact O-N 3.06Å; H281-T284 PolarHBondContact O-OG1 2.95Å; H281-H285 AromaticContact CE1-NE2 3.97Å
282	Q	73.9	Confident	73.9	Confident	75 Å²	75	69.2 Å²	69.2	35%	0.35	36%	0.36	S	S	.	.	H	α-helix	trans	-55.4	-34.5	175.6	-72.7	168.6	-59.6	0	0	111.8	L278 T279 T284 H285 T286	L278-Q282 HydrophobicContact CD1-CG 4.07Å; L278-Q282 HydrophobicContact CG-CG 4.42Å; L278-Q282 WeakPolarHBondContact O-CG 3.21Å; L278-Q282 PolarHBondContact O-N 3.23Å; T279-Q282 PolarHBondContact O-N 3.35Å; Q282-T284 PolarHBondContact O-N 2.98Å; Q282-T284 VanDerWaalsContact O-N 3.12Å; Q282-H285 WeakPolarHBondContact O-CA 3.12Å; Q282-H285 WeakPolarHBondContact O-CB 3.21Å; Q282-H285 PolarHBondContact O-N 2.95Å; Q282-T286 PolarHBondContact O-N 2.89Å; Q282-T286 VanDerWaalsContact O-N 3.08Å
283	R	79.4	Confident	73.8	Confident	54 Å²	54	67.4 Å²	67.4	20%	0.204	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-18.4	170.3	-63.9	-172.7	177.9	155	3.2	115.7	H281 H285 T286 G287 E288 S301	H281-R283 PolarHBondContact O-N 3.31Å; H281-R283 VanDerWaalsContact O-N 3.16Å; R283-H285 VanDerWaalsContact C-N 3.32Å; R283-T286 WeakPolarHBondContact CA-OG1 3.14Å; R283-G287 CarbonylContact O-C 3.13Å; R283-G287 WeakPolarHBondContact O-CA 3.39Å; R283-G287 PolarHBondContact O-N 2.84Å; R283-G287 VanDerWaalsContact O-N 3.08Å; R283-E288 HydrophobicContact CB-CB 4.13Å; R283-E288 HydrophobicContact CG-CB 3.88Å; R283-E288 IonicContact NE-OE2 3.4Å; R283-E288 PolarHBondContact O-N 3.4Å; R283-S301 PolarHBondContact NH1-O 3.35Å; R283-S301 VanDerWaalsContact NH1-O 3.12Å
284	T	67.9	Low	73.6	Confident	85 Å²	85	70.9 Å²	70.9	52%	0.521	39%	0.39	S	S	.	.	H	α-helix	trans	-81.5	-13.1	172.7	67.6	0	0	0	0	113.1	H281 Q282	H281-T284 PolarHBondContact CE1-OG1 2.85Å; H281-T284 VanDerWaalsContact CE1-OG1 3.23Å; H281-T284 PolarHBondContact ND1-OG1 3.15Å; H281-T284 WeakPolarHBondContact O-CA 3.46Å; H281-T284 WeakPolarHBondContact O-CB 3.37Å; H281-T284 PolarHBondContact O-N 3.06Å; H281-T284 PolarHBondContact O-OG1 2.95Å; Q282-T284 PolarHBondContact O-N 2.98Å; Q282-T284 VanDerWaalsContact O-N 3.12Å
285	H	72.3	Confident	73.3	Confident	97 Å²	97	73.2 Å²	73.2	45%	0.449	40%	0.401	S	S	.	.	H	α-helix	trans	-97.7	-43.1	171.7	-55.8	-56.4	0	0	0	111.5	C268 H281 Q282 R283 G287	C268-H285 WeakPolarHBondContact CB-NE2 3.5Å; C268-H285 PolarHBondContact SG-NE2 2.87Å; H281-H285 AromaticContact CE1-NE2 3.97Å; Q282-H285 WeakPolarHBondContact O-CA 3.12Å; Q282-H285 WeakPolarHBondContact O-CB 3.21Å; Q282-H285 PolarHBondContact O-N 2.95Å; R283-H285 VanDerWaalsContact C-N 3.32Å; H285-G287 VanDerWaalsContact C-N 3.3Å; H285-G287 PolarHBondContact O-N 3.18Å
286	T	69.9	Low	73	Confident	86 Å²	86	68.7 Å²	68.7	53%	0.528	39%	0.387	S	S	.	.	H	α-helix	trans	-78.5	-12	177.6	61.6	0	0	0	0	113.7	Q282 R283 E288	Q282-T286 PolarHBondContact O-N 2.89Å; Q282-T286 VanDerWaalsContact O-N 3.08Å; R283-T286 WeakPolarHBondContact CA-OG1 3.14Å; T286-E288 WeakPolarHBondContact CB-OE1 3.36Å; T286-E288 PolarHBondContact O-N 3.14Å; T286-E288 VanDerWaalsContact OG1-CD 3.24Å; T286-E288 WeakPolarHBondContact OG1-CG 3.47Å; T286-E288 PolarHBondContact OG1-OE1 3Å
287	G	71.3	Confident	72.9	Confident	47 Å²	47	67.2 Å²	67.2	49%	0.485	38%	0.384	S	S	.	.			trans	76	-3.6	-178.5	0	0	0	0	0	115	R283 H285 K289	R283-G287 CarbonylContact O-C 3.13Å; R283-G287 WeakPolarHBondContact O-CA 3.39Å; R283-G287 PolarHBondContact O-N 2.84Å; R283-G287 VanDerWaalsContact O-N 3.08Å; H285-G287 VanDerWaalsContact C-N 3.3Å; H285-G287 PolarHBondContact O-N 3.18Å; G287-K289 WeakPolarHBondContact O-CG 3.35Å; G287-K289 PolarHBondContact O-N 3.21Å
288	E	72.2	Confident	72.9	Confident	93 Å²	93	69.3 Å²	69.3	44%	0.435	39%	0.392	S	S	.	.			trans	-51.6	129.3	-178.1	-80.5	165.6	-121.2	0	0	113.9	R283 T286 S301	R283-E288 HydrophobicContact CB-CB 4.13Å; R283-E288 HydrophobicContact CG-CB 3.88Å; R283-E288 IonicContact NE-OE2 3.4Å; R283-E288 PolarHBondContact O-N 3.4Å; T286-E288 WeakPolarHBondContact CB-OE1 3.36Å; T286-E288 PolarHBondContact O-N 3.14Å; T286-E288 VanDerWaalsContact OG1-CD 3.24Å; T286-E288 WeakPolarHBondContact OG1-CG 3.47Å; T286-E288 PolarHBondContact OG1-OE1 3Å; E288-S301 WeakPolarHBondContact O-CB 3.35Å
289	K	77.9	Confident	72.8	Confident	130 Å²	130	70 Å²	70	57%	0.565	40%	0.4	S	S	*	.			trans	-131.5	72.8	178.6	-71.9	157.5	175.2	179.6	0	111.4	G287 Y291 A299 F300	G287-K289 WeakPolarHBondContact O-CG 3.35Å; G287-K289 PolarHBondContact O-N 3.21Å; K289-Y291 PolarHBondContact O-N 3.07Å; K289-A299 HydrophobicContact CB-CB 3.52Å; K289-A299 HydrophobicContact CD-CB 4.12Å; K289-A299 WeakPolarHBondContact CD-O 3.44Å; K289-A299 HydrophobicContact CG-CB 4.38Å; K289-F300 CarbonylContact C-O 3.2Å; K289-F300 VanDerWaalsContact CA-O 3.29Å; K289-F300 WeakPolarHBondContact CA-O 3.27Å
290	P	76.9	Confident	73	Confident	69 Å²	69	69.4 Å²	69.4	45%	0.448	39%	0.393	S	S	.	.			trans	-73	8.7	-169.6	-19.5	35.2	0	0	0	116.3
291	Y	76.8	Confident	73.3	Confident	78 Å²	78	70 Å²	70	31%	0.306	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	95.2	-176.7	-52.8	-73.9	0	0	0	109.7	K289 F300 K303	K289-Y291 PolarHBondContact O-N 3.07Å; Y291-F300 WeakPolarHBondContact CD2-O 3.34Å; Y291-F300 PolarHBondContact N-O 3.29Å; Y291-F300 VanDerWaalsContact N-O 3.13Å; Y291-F300 PolarHBondContact O-N 3.36Å; Y291-K303 HydrophobicContact CD1-CB 3.92Å; Y291-K303 HydrophobicContact CD1-CG 4.39Å; Y291-K303 VanDerWaalsContact CD2-N 3.26Å; Y291-K303 HydrophobicContact CE1-CB 3.93Å; Y291-K303 HydrophobicContact CE2-CB 4.5Å; Y291-K303 HydrophobicContact CG-CB 4.23Å
292	E	69.4	Low	73.2	Confident	125 Å²	125	74 Å²	74	58%	0.584	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	145.8	-177.9	-166.2	168.7	163.6	0	0	112.9	G297 A299 L306	E292-G297 WeakPolarHBondContact OE1-CA 3.32Å; E292-A299 HydrophobicContact CB-CB 4.33Å; E292-A299 HydrophobicContact CG-CB 4.28Å; E292-L306 WeakPolarHBondContact O-CD2 3.22Å
293	C	77.8	Confident	73.1	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.02	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.6	173.6	-174.5	0	0	0	0	110.1	E295 C296 G297 K298 L306	C293-E295 PolarHBondContact O-N 2.92Å; C293-E295 VanDerWaalsContact O-N 3.08Å; C293-C296 PolarHBondContact O-N 2.94Å; C293-G297 PolarHBondContact O-N 3.27Å; C293-K298 HydrophobicContact CB-CB 4.47Å; C293-K298 WeakPolarHBondContact CB-O 3.35Å; C293-K298 PolarHBondContact N-O 3.15Å; C293-L306 HydrophobicContact CB-CD1 3.53Å
294	G	69.8	Low	72.6	Confident	87 Å²	87	77.8 Å²	77.8	90%	0.897	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.5	-177.3	0	0	0	0	0	115.3
295	E	68.3	Low	72.9	Confident	111 Å²	111	77.9 Å²	77.9	52%	0.519	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.4	177.3	-66.1	165.9	171.2	0	0	113.6	C293 W310 H313	C293-E295 PolarHBondContact O-N 2.92Å; C293-E295 VanDerWaalsContact O-N 3.08Å; E295-W310 PolarHBondContact OE1-NE1 3.48Å; E295-W310 PolarHBondContact OE2-NE1 3.22Å; E295-H313 WeakPolarHBondContact OE2-CB 3.24Å; E295-H313 IonicContact OE2-CD2 3.69Å; E295-H313 PolarHBondContact OE2-CD2 3.05Å; E295-H313 IonicContact OE2-CG 2.73Å; E295-H313 VanDerWaalsContact OE2-CG 3.25Å
296	C	68.8	Low	73	Confident	46 Å²	46	74.8 Å²	74.8	31%	0.311	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.1	11.3	-174.1	74	0	0	0	0	117	C293 K298 H309 H313	C293-C296 PolarHBondContact O-N 2.94Å; C296-K298 PolarHBondContact O-N 2.82Å; C296-K298 VanDerWaalsContact O-N 3.11Å; C296-H309 PolarHBondContact SG-NE2 2.77Å; C296-H313 PolarHBondContact SG-NE2 3.05Å; C296-H313 VanDerWaalsContact SG-NE2 3.44Å
297	G	71.3	Confident	73.2	Confident	46 Å²	46	74.3 Å²	74.3	47%	0.474	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	9.4	177	0	0	0	0	0	115.5	E292 C293 A299	E292-G297 WeakPolarHBondContact OE1-CA 3.32Å; C293-G297 PolarHBondContact O-N 3.27Å; G297-A299 PolarHBondContact O-N 2.97Å
298	K	71.4	Confident	73	Confident	109 Å²	109	73 Å²	73	47%	0.474	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.6	-178.5	-75	175.1	-174	156.6	0	110.5	C293 C296 F300 H309	C293-K298 HydrophobicContact CB-CB 4.47Å; C293-K298 WeakPolarHBondContact CB-O 3.35Å; C293-K298 PolarHBondContact N-O 3.15Å; C296-K298 PolarHBondContact O-N 2.82Å; C296-K298 VanDerWaalsContact O-N 3.11Å; K298-F300 HydrophobicContact CB-CE2 3.78Å; K298-F300 HydrophobicContact CB-CZ 4.08Å; K298-F300 VanDerWaalsContact O-CD2 3.28Å; K298-F300 WeakPolarHBondContact O-CD2 3.46Å; K298-F300 WeakPolarHBondContact O-CE2 3.47Å; K298-H309 WeakPolarHBondContact CD-NE2 3.2Å
299	A	75.6	Confident	73.1	Confident	32 Å²	32	69.9 Å²	69.9	26%	0.264	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.7	179.5	0	0	0	0	0	113.1	K289 E292 G297	K289-A299 HydrophobicContact CB-CB 3.52Å; K289-A299 HydrophobicContact CD-CB 4.12Å; K289-A299 WeakPolarHBondContact CD-O 3.44Å; K289-A299 HydrophobicContact CG-CB 4.38Å; E292-A299 HydrophobicContact CB-CB 4.33Å; E292-A299 HydrophobicContact CG-CB 4.28Å; G297-A299 PolarHBondContact O-N 2.97Å
300	F	78.9	Confident	72.6	Confident	46 Å²	46	68.5 Å²	68.5	20%	0.202	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.3	-176.8	-61.1	-92.7	0	0	0	112	K289 Y291 K298 R302 H305 L306 H309	K289-F300 CarbonylContact C-O 3.2Å; K289-F300 VanDerWaalsContact CA-O 3.29Å; K289-F300 WeakPolarHBondContact CA-O 3.27Å; Y291-F300 WeakPolarHBondContact CD2-O 3.34Å; Y291-F300 PolarHBondContact N-O 3.29Å; Y291-F300 VanDerWaalsContact N-O 3.13Å; Y291-F300 PolarHBondContact O-N 3.36Å; K298-F300 HydrophobicContact CB-CE2 3.78Å; K298-F300 HydrophobicContact CB-CZ 4.08Å; K298-F300 VanDerWaalsContact O-CD2 3.28Å; K298-F300 WeakPolarHBondContact O-CD2 3.46Å; K298-F300 WeakPolarHBondContact O-CE2 3.47Å; F300-R302 VanDerWaalsContact C-N 3.31Å; F300-R302 PolarHBondContact O-N 3.43Å; F300-H305 HydrophobicContact CB-CB 4.33Å; F300-H305 HydrophobicContact CD1-CB 3.85Å; F300-H305 HydrophobicContact CG-CB 4.34Å; F300-L306 HydrophobicContact CB-CB 4.37Å; F300-L306 HydrophobicContact CD2-CB 3.99Å; F300-L306 HydrophobicContact CD2-CD1 3.94Å; F300-L306 HydrophobicContact CE2-CD1 4.15Å; F300-L306 HydrophobicContact CG-CB 4.34Å; F300-H309 HydrophobicContact CE1-CB 4.12Å; F300-H309 HydrophobicContact CE2-CB 3.98Å; F300-H309 AromaticContact CE2-CD2 3.35Å; F300-H309 WeakPolarHBondContact CE2-CD2 3.23Å; F300-H309 AromaticContact CE2-CG 3.89Å; F300-H309 HydrophobicContact CZ-CB 3.53Å; F300-H309 AromaticContact CZ-CD2 3.31Å; F300-H309 WeakPolarHBondContact CZ-CD2 3.43Å; F300-H309 AromaticContact CZ-CG 3.45Å; F300-H309 VanDerWaalsContact CZ-CG 3.45Å
301	S	74.8	Confident	72.7	Confident	28 Å²	28	67.9 Å²	67.9	20%	0.196	36%	0.36	C	S	.	.	S	Bend	trans	-80.3	-8	176.7	57.6	0	0	0	0	114.4	R283 E288	R283-S301 PolarHBondContact NH1-O 3.35Å; R283-S301 VanDerWaalsContact NH1-O 3.12Å; E288-S301 WeakPolarHBondContact O-CB 3.35Å
302	R	72.8	Confident	72.3	Confident	106 Å²	106	68.2 Å²	68.2	40%	0.4	37%	0.371	S	S	.	.	S	Bend	trans	-139.8	134.1	-179.9	-66.3	-178.3	175.4	170.9	-0.3	112.3	S280 F300 S304 H305 L306	S280-R302 PolarHBondContact OG-NE 3.12Å; S280-R302 PolarHBondContact OG-NH2 2.98Å; F300-R302 VanDerWaalsContact C-N 3.31Å; F300-R302 PolarHBondContact O-N 3.43Å; R302-S304 VanDerWaalsContact C-N 3.27Å; R302-S304 PolarHBondContact O-N 3.38Å; R302-H305 HydrophobicContact CB-CB 4.43Å; R302-H305 PolarHBondContact O-N 3.27Å; R302-L306 PolarHBondContact O-N 2.63Å
303	K	71.6	Confident	72.3	Confident	136 Å²	136	66.8 Å²	66.8	59%	0.591	36%	0.364	S	S	*	.	H	α-helix	trans	-56.4	-36.5	175	-169.8	176.5	-179.9	179.1	0	113	Y291 H305 L306 I307	Y291-K303 HydrophobicContact CD1-CB 3.92Å; Y291-K303 HydrophobicContact CD1-CG 4.39Å; Y291-K303 VanDerWaalsContact CD2-N 3.26Å; Y291-K303 HydrophobicContact CE1-CB 3.93Å; Y291-K303 HydrophobicContact CE2-CB 4.5Å; Y291-K303 HydrophobicContact CG-CB 4.23Å; K303-H305 VanDerWaalsContact C-N 3.32Å; K303-H305 PolarHBondContact O-N 3.34Å; K303-L306 PolarHBondContact O-N 3.48Å; K303-I307 HydrophobicContact CG-CD1 4.05Å; K303-I307 WeakPolarHBondContact O-CG1 3.31Å; K303-I307 PolarHBondContact O-N 2.9Å
304	S	70.3	Confident	71.8	Confident	73 Å²	73	69.5 Å²	69.5	51%	0.51	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-31.5	177.3	53.9	0	0	0	0	113.9	R302 S308	R302-S304 VanDerWaalsContact C-N 3.27Å; R302-S304 PolarHBondContact O-N 3.38Å; S304-S308 PolarHBondContact O-N 3.49Å; S304-S308 VanDerWaalsContact O-N 3.11Å
305	H	72.7	Confident	71.7	Confident	88 Å²	88	67 Å²	67	41%	0.407	36%	0.355	S	S	.	.	H	α-helix	trans	-76.2	-36.7	175.6	-63.6	-173.4	0	0	0	110.9	F300 R302 K303 S308 H309	F300-H305 HydrophobicContact CB-CB 4.33Å; F300-H305 HydrophobicContact CD1-CB 3.85Å; F300-H305 HydrophobicContact CG-CB 4.34Å; R302-H305 HydrophobicContact CB-CB 4.43Å; R302-H305 PolarHBondContact O-N 3.27Å; K303-H305 VanDerWaalsContact C-N 3.32Å; K303-H305 PolarHBondContact O-N 3.34Å; H305-S308 PolarHBondContact O-N 3.46Å; H305-H309 WeakPolarHBondContact O-CB 2.96Å; H305-H309 PolarHBondContact O-N 3.4Å
306	L	74.9	Confident	71.8	Confident	32 Å²	32	65.4 Å²	65.4	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-46.8	170.1	173.3	61.4	0	0	0	111.2	E292 C293 F300 R302 K303 S308 H309 W310	E292-L306 WeakPolarHBondContact O-CD2 3.22Å; C293-L306 HydrophobicContact CB-CD1 3.53Å; F300-L306 HydrophobicContact CB-CB 4.37Å; F300-L306 HydrophobicContact CD2-CB 3.99Å; F300-L306 HydrophobicContact CD2-CD1 3.94Å; F300-L306 HydrophobicContact CE2-CD1 4.15Å; F300-L306 HydrophobicContact CG-CB 4.34Å; R302-L306 PolarHBondContact O-N 2.63Å; K303-L306 PolarHBondContact O-N 3.48Å; L306-S308 PolarHBondContact O-N 3.08Å; L306-H309 CarbonylContact O-C 3.23Å; L306-H309 PolarHBondContact O-N 3.45Å; L306-H309 VanDerWaalsContact O-N 3.15Å; L306-W310 WeakPolarHBondContact O-CB 3.38Å; L306-W310 PolarHBondContact O-N 3.15Å
307	I	73.6	Confident	72.1	Confident	75 Å²	75	69.2 Å²	69.2	39%	0.385	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-45.2	177.9	-68	164	0	0	0	111.5	K303 H309 W310 R311	K303-I307 HydrophobicContact CG-CD1 4.05Å; K303-I307 WeakPolarHBondContact O-CG1 3.31Å; K303-I307 PolarHBondContact O-N 2.9Å; I307-H309 VanDerWaalsContact C-N 3.26Å; I307-H309 PolarHBondContact O-N 2.91Å; I307-W310 PolarHBondContact O-N 2.95Å; I307-R311 WeakPolarHBondContact O-CG 3.41Å; I307-R311 PolarHBondContact O-N 3.29Å
308	S	67.6	Low	72.3	Confident	21 Å²	21	70.4 Å²	70.4	15%	0.147	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-33.1	175.9	-169.8	0	0	0	0	112.2	S304 H305 L306 E330	S304-S308 PolarHBondContact O-N 3.49Å; S304-S308 VanDerWaalsContact O-N 3.11Å; H305-S308 PolarHBondContact O-N 3.46Å; L306-S308 PolarHBondContact O-N 3.08Å; S308-E330 VanDerWaalsContact OG-CG 3.3Å; S308-E330 WeakPolarHBondContact OG-CG 3.49Å; S308-E330 PolarHBondContact OG-OE1 3.24Å
309	H	74.1	Confident	72.6	Confident	26 Å²	26	68.8 Å²	68.8	12%	0.12	35%	0.35	C	S	.	.	H	α-helix	trans	-72.7	-41.4	175	177.5	39.7	0	0	0	112.9	C296 K298 F300 H305 L306 I307 R311 T312 H313	C296-H309 PolarHBondContact SG-NE2 2.77Å; K298-H309 WeakPolarHBondContact CD-NE2 3.2Å; F300-H309 HydrophobicContact CE1-CB 4.12Å; F300-H309 HydrophobicContact CE2-CB 3.98Å; F300-H309 AromaticContact CE2-CD2 3.35Å; F300-H309 WeakPolarHBondContact CE2-CD2 3.23Å; F300-H309 AromaticContact CE2-CG 3.89Å; F300-H309 HydrophobicContact CZ-CB 3.53Å; F300-H309 AromaticContact CZ-CD2 3.31Å; F300-H309 WeakPolarHBondContact CZ-CD2 3.43Å; F300-H309 AromaticContact CZ-CG 3.45Å; F300-H309 VanDerWaalsContact CZ-CG 3.45Å; H305-H309 WeakPolarHBondContact O-CB 2.96Å; H305-H309 PolarHBondContact O-N 3.4Å; L306-H309 CarbonylContact O-C 3.23Å; L306-H309 PolarHBondContact O-N 3.45Å; L306-H309 VanDerWaalsContact O-N 3.15Å; I307-H309 VanDerWaalsContact C-N 3.26Å; I307-H309 PolarHBondContact O-N 2.91Å; H309-R311 PolarHBondContact O-N 3.37Å; H309-T312 PolarHBondContact CE1-OG1 3.38Å; H309-T312 PolarHBondContact ND1-OG1 3.11Å; H309-T312 VanDerWaalsContact ND1-OG1 3.09Å; H309-T312 WeakPolarHBondContact O-CA 3.22Å; H309-T312 VanDerWaalsContact O-CB 3.28Å; H309-T312 WeakPolarHBondContact O-CB 3.3Å; H309-T312 PolarHBondContact O-N 3.15Å; H309-T312 PolarHBondContact O-OG1 3.39Å; H309-H313 AromaticContact CE1-NE2 3.9Å
310	W	68.3	Low	72.1	Confident	102 Å²	102	69.5 Å²	69.5	39%	0.386	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-34.6	-179.7	-178.1	66.9	0	0	0	112.1	E295 L306 I307 T312 H313 T314 E316	E295-W310 PolarHBondContact OE1-NE1 3.48Å; E295-W310 PolarHBondContact OE2-NE1 3.22Å; L306-W310 WeakPolarHBondContact O-CB 3.38Å; L306-W310 PolarHBondContact O-N 3.15Å; I307-W310 PolarHBondContact O-N 2.95Å; W310-T312 PolarHBondContact O-N 3.07Å; W310-H313 WeakPolarHBondContact O-CB 3.39Å; W310-H313 PolarHBondContact O-N 3.33Å; W310-T314 HydrophobicContact CD2-CG2 4.03Å; W310-T314 HydrophobicContact CE3-CG2 4.23Å; W310-T314 HydrophobicContact CH2-CG2 3.67Å; W310-T314 HydrophobicContact CZ2-CG2 3.4Å; W310-T314 VanDerWaalsContact CZ2-CG2 3.4Å; W310-T314 HydrophobicContact CZ3-CG2 4.05Å; W310-T314 PolarHBondContact O-N 2.86Å; W310-E316 WeakPolarHBondContact CZ3-OE1 3.22Å
311	R	78.2	Confident	71.9	Confident	55 Å²	55	67.4 Å²	67.4	21%	0.208	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-15	168.3	-66.4	-177.5	176.2	155.5	5.8	115.2	I307 H309 G315 E316 S329	I307-R311 WeakPolarHBondContact O-CG 3.41Å; I307-R311 PolarHBondContact O-N 3.29Å; H309-R311 PolarHBondContact O-N 3.37Å; R311-G315 CarbonylContact O-C 3.53Å; R311-G315 WeakPolarHBondContact O-CA 3.28Å; R311-G315 PolarHBondContact O-N 3.17Å; R311-G315 VanDerWaalsContact O-N 3.13Å; R311-E316 HydrophobicContact CB-CB 4.12Å; R311-E316 HydrophobicContact CG-CB 3.87Å; R311-E316 IonicContact NE-OE2 3.29Å; R311-E316 PolarHBondContact NE-OE2 3.28Å; R311-E316 PolarHBondContact O-N 2.87Å; R311-S329 PolarHBondContact NH1-O 3.31Å
312	T	68.3	Low	71.8	Confident	85 Å²	85	71.6 Å²	71.6	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-83	-14.4	172.9	71.2	0	0	0	0	113.4	H309 W310	H309-T312 PolarHBondContact CE1-OG1 3.38Å; H309-T312 PolarHBondContact ND1-OG1 3.11Å; H309-T312 VanDerWaalsContact ND1-OG1 3.09Å; H309-T312 WeakPolarHBondContact O-CA 3.22Å; H309-T312 VanDerWaalsContact O-CB 3.28Å; H309-T312 WeakPolarHBondContact O-CB 3.3Å; H309-T312 PolarHBondContact O-N 3.15Å; H309-T312 PolarHBondContact O-OG1 3.39Å; W310-T312 PolarHBondContact O-N 3.07Å
313	H	69.1	Low	71.5	Confident	95 Å²	95	71.7 Å²	71.7	44%	0.44	39%	0.385	S	S	.	.	H	α-helix	trans	-93.2	-51.2	171.3	-57.3	-55.8	0	0	0	111	E295 C296 H309 W310 G315	E295-H313 WeakPolarHBondContact OE2-CB 3.24Å; E295-H313 IonicContact OE2-CD2 3.69Å; E295-H313 PolarHBondContact OE2-CD2 3.05Å; E295-H313 IonicContact OE2-CG 2.73Å; E295-H313 VanDerWaalsContact OE2-CG 3.25Å; C296-H313 PolarHBondContact SG-NE2 3.05Å; C296-H313 VanDerWaalsContact SG-NE2 3.44Å; H309-H313 AromaticContact CE1-NE2 3.9Å; W310-H313 WeakPolarHBondContact O-CB 3.39Å; W310-H313 PolarHBondContact O-N 3.33Å; H313-G315 PolarHBondContact O-N 3.23Å
314	T	67.2	Low	71.2	Confident	61 Å²	61	67.9 Å²	67.9	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-70.3	-15.7	177.3	62.5	0	0	0	0	113.9	W310 E316	W310-T314 HydrophobicContact CD2-CG2 4.03Å; W310-T314 HydrophobicContact CE3-CG2 4.23Å; W310-T314 HydrophobicContact CH2-CG2 3.67Å; W310-T314 HydrophobicContact CZ2-CG2 3.4Å; W310-T314 VanDerWaalsContact CZ2-CG2 3.4Å; W310-T314 HydrophobicContact CZ3-CG2 4.05Å; W310-T314 PolarHBondContact O-N 2.86Å; T314-E316 PolarHBondContact O-N 2.93Å; T314-E316 WeakPolarHBondContact OG1-CG 3.39Å
315	G	68.8	Low	71.1	Confident	35 Å²	35	67.8 Å²	67.8	36%	0.361	39%	0.385	S	S	.	.			trans	75.8	0.7	-179.3	0	0	0	0	0	114.8	R311 H313 K317	R311-G315 CarbonylContact O-C 3.53Å; R311-G315 WeakPolarHBondContact O-CA 3.28Å; R311-G315 PolarHBondContact O-N 3.17Å; R311-G315 VanDerWaalsContact O-N 3.13Å; H313-G315 PolarHBondContact O-N 3.23Å; G315-K317 WeakPolarHBondContact O-CD 3.3Å; G315-K317 WeakPolarHBondContact O-CE 3.12Å; G315-K317 WeakPolarHBondContact O-CG 3.37Å; G315-K317 PolarHBondContact O-N 3.34Å
316	E	69	Low	70.8	Confident	77 Å²	77	71.3 Å²	71.3	36%	0.36	40%	0.395	S	S	.	.			trans	-49	128	178.9	-88.2	178.6	-146	0	0	113.4	W310 R311 T314	W310-E316 WeakPolarHBondContact CZ3-OE1 3.22Å; R311-E316 HydrophobicContact CB-CB 4.12Å; R311-E316 HydrophobicContact CG-CB 3.87Å; R311-E316 IonicContact NE-OE2 3.29Å; R311-E316 PolarHBondContact NE-OE2 3.28Å; R311-E316 PolarHBondContact O-N 2.87Å; T314-E316 PolarHBondContact O-N 2.93Å; T314-E316 WeakPolarHBondContact OG1-CG 3.39Å
317	K	75.3	Confident	70.7	Confident	126 Å²	126	71.7 Å²	71.7	55%	0.548	40%	0.403	S	S	.	.			trans	-134.2	75.3	178.7	-72	151.2	-169.2	151.4	0	110.9	G315 Y319 A327 F328	G315-K317 WeakPolarHBondContact O-CD 3.3Å; G315-K317 WeakPolarHBondContact O-CE 3.12Å; G315-K317 WeakPolarHBondContact O-CG 3.37Å; G315-K317 PolarHBondContact O-N 3.34Å; K317-Y319 PolarHBondContact O-N 3.41Å; K317-A327 HydrophobicContact CB-CB 3.5Å; K317-A327 VanDerWaalsContact CB-CB 3.5Å; K317-A327 HydrophobicContact CD-CB 4.37Å; K317-A327 HydrophobicContact CG-CB 4.41Å; K317-F328 CarbonylContact C-O 3.57Å; K317-F328 VanDerWaalsContact C-O 3.23Å; K317-F328 VanDerWaalsContact CA-O 3.29Å; K317-F328 WeakPolarHBondContact CA-O 3.36Å
318	P	76.1	Confident	70.8	Confident	70 Å²	70	70.3 Å²	70.3	46%	0.455	39%	0.394	S	S	.	.			trans	-65.6	-10.4	-174	-22.5	35.2	0	0	0	115.2
319	Y	77.3	Confident	71.1	Confident	76 Å²	76	70.8 Å²	70.8	30%	0.298	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	86.9	-172.9	-52.5	-68.4	0	0	0	111.1	K317 A327 F328 S329 K331	K317-Y319 PolarHBondContact O-N 3.41Å; Y319-A327 CarbonylContact O-C 3.53Å; Y319-A327 WeakPolarHBondContact O-CA 3.49Å; Y319-F328 WeakPolarHBondContact CD2-O 3.48Å; Y319-F328 PolarHBondContact N-O 3.37Å; Y319-F328 VanDerWaalsContact N-O 3.09Å; Y319-F328 PolarHBondContact O-N 2.83Å; Y319-S329 WeakPolarHBondContact CE2-O 3.48Å; Y319-K331 HydrophobicContact CD1-CB 3.91Å; Y319-K331 HydrophobicContact CD1-CG 4.34Å; Y319-K331 HydrophobicContact CD2-CB 4.31Å; Y319-K331 HydrophobicContact CE1-CB 3.93Å; Y319-K331 HydrophobicContact CE1-CD 4.46Å; Y319-K331 HydrophobicContact CE2-CB 4.3Å; Y319-K331 HydrophobicContact CG-CB 4.1Å
320	G	66.5	Low	71	Confident	47 Å²	47	73 Å²	73	49%	0.485	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	146.3	177	0	0	0	0	0	114.3	L334	G320-L334 WeakPolarHBondContact O-CD2 3.45Å
321	C	74.9	Confident	71.2	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.014	42%	0.417	C	S	.	.			trans	-100.2	108.6	169.5	-173.6	0	0	0	0	109.8	E323 C324 G325 R326 L334	C321-E323 VanDerWaalsContact C-N 3.27Å; C321-E323 PolarHBondContact O-N 3Å; C321-C324 PolarHBondContact O-N 3.28Å; C321-C324 VanDerWaalsContact SG-SG 3.69Å; C321-G325 WeakPolarHBondContact O-CA 3.25Å; C321-G325 PolarHBondContact O-N 3.15Å; C321-R326 WeakPolarHBondContact CB-O 2.99Å; C321-R326 PolarHBondContact N-O 2.92Å; C321-L334 HydrophobicContact CB-CD1 3.6Å
322	S	72	Confident	71	Confident	115 Å²	115	74.4 Å²	74.4	80%	0.804	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-39.6	179.7	45.4	0	0	0	0	113.5	C324	S322-C324 VanDerWaalsContact C-N 3.29Å; S322-C324 PolarHBondContact O-N 2.92Å
323	E	66.3	Low	71.4	Confident	109 Å²	109	73.1 Å²	73.1	51%	0.509	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.1	-175.4	-60.9	168	114.4	0	0	114.9	C321 H341	C321-E323 VanDerWaalsContact C-N 3.27Å; C321-E323 PolarHBondContact O-N 3Å; E323-H341 IonicContact OE2-CD2 3.99Å; E323-H341 PolarHBondContact OE2-CD2 3.38Å; E323-H341 IonicContact OE2-CG 3.55Å
324	C	65.7	Low	71.8	Confident	56 Å²	56	69.5 Å²	69.5	38%	0.378	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	12.2	-175.3	71.2	0	0	0	0	116.1	C321 S322 R326 H337 H341	C321-C324 PolarHBondContact O-N 3.28Å; C321-C324 VanDerWaalsContact SG-SG 3.69Å; S322-C324 VanDerWaalsContact C-N 3.29Å; S322-C324 PolarHBondContact O-N 2.92Å; C324-R326 PolarHBondContact O-N 3.12Å; C324-H337 PolarHBondContact SG-NE2 3.14Å; C324-H341 PolarHBondContact SG-NE2 3.21Å; C324-H341 VanDerWaalsContact SG-NE2 3.35Å
325	G	68.4	Low	72.2	Confident	70 Å²	70	70 Å²	70	72%	0.722	40%	0.398	S	S	*	.			trans	67.1	-1	178.7	0	0	0	0	0	116.1	C321 A327	C321-G325 WeakPolarHBondContact O-CA 3.25Å; C321-G325 PolarHBondContact O-N 3.15Å; G325-A327 PolarHBondContact O-N 3.23Å
326	R	65.9	Low	72.5	Confident	162 Å²	162	70.2 Å²	70.2	61%	0.611	39%	0.391	S	S	*	.			trans	-75.1	123.2	-178.7	-72.8	-174.6	169.2	-160.3	-3.1	111.6	C321 C324 F328	C321-R326 WeakPolarHBondContact CB-O 2.99Å; C321-R326 PolarHBondContact N-O 2.92Å; C324-R326 PolarHBondContact O-N 3.12Å; R326-F328 HydrophobicContact CB-CE2 3.94Å; R326-F328 HydrophobicContact CB-CZ 4.09Å; R326-F328 VanDerWaalsContact O-CE2 3.32Å; R326-F328 WeakPolarHBondContact O-CE2 3.33Å
327	A	71.7	Confident	72.8	Confident	40 Å²	40	67.2 Å²	67.2	33%	0.331	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.3	178.7	0	0	0	0	0	112.7	K317 Y319 G325	K317-A327 HydrophobicContact CB-CB 3.5Å; K317-A327 VanDerWaalsContact CB-CB 3.5Å; K317-A327 HydrophobicContact CD-CB 4.37Å; K317-A327 HydrophobicContact CG-CB 4.41Å; Y319-A327 CarbonylContact O-C 3.53Å; Y319-A327 WeakPolarHBondContact O-CA 3.49Å; G325-A327 PolarHBondContact O-N 3.23Å
328	F	76.8	Confident	72.7	Confident	47 Å²	47	64.3 Å²	64.3	21%	0.206	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.7	-174.9	-58.8	-91.1	0	0	0	112	K317 Y319 R326 E330 N333 L334 H337	K317-F328 CarbonylContact C-O 3.57Å; K317-F328 VanDerWaalsContact C-O 3.23Å; K317-F328 VanDerWaalsContact CA-O 3.29Å; K317-F328 WeakPolarHBondContact CA-O 3.36Å; Y319-F328 WeakPolarHBondContact CD2-O 3.48Å; Y319-F328 PolarHBondContact N-O 3.37Å; Y319-F328 VanDerWaalsContact N-O 3.09Å; Y319-F328 PolarHBondContact O-N 2.83Å; R326-F328 HydrophobicContact CB-CE2 3.94Å; R326-F328 HydrophobicContact CB-CZ 4.09Å; R326-F328 VanDerWaalsContact O-CE2 3.32Å; R326-F328 WeakPolarHBondContact O-CE2 3.33Å; F328-E330 VanDerWaalsContact C-N 3.34Å; F328-N333 HydrophobicContact CB-CB 4.25Å; F328-N333 HydrophobicContact CD1-CB 3.93Å; F328-N333 HydrophobicContact CG-CB 4.32Å; F328-L334 HydrophobicContact CB-CB 4.46Å; F328-L334 HydrophobicContact CD2-CB 3.98Å; F328-L334 HydrophobicContact CD2-CD1 3.97Å; F328-L334 HydrophobicContact CE2-CD1 4.15Å; F328-L334 HydrophobicContact CG-CB 4.42Å; F328-H337 HydrophobicContact CE1-CB 4.17Å; F328-H337 HydrophobicContact CE2-CB 3.91Å; F328-H337 AromaticContact CE2-CD2 3.34Å; F328-H337 WeakPolarHBondContact CE2-CD2 3.43Å; F328-H337 AromaticContact CE2-CG 3.76Å; F328-H337 HydrophobicContact CZ-CB 3.55Å; F328-H337 AromaticContact CZ-CD2 3.36Å; F328-H337 WeakPolarHBondContact CZ-CD2 3.38Å; F328-H337 AromaticContact CZ-CG 3.36Å
329	S	73	Confident	73	Confident	31 Å²	31	63.3 Å²	63.3	22%	0.217	35%	0.352	C	S	.	.	S	Bend	trans	-76.8	-17.2	176.8	53	0	0	0	0	114.1	R311 Y319	R311-S329 PolarHBondContact NH1-O 3.31Å; Y319-S329 WeakPolarHBondContact CE2-O 3.48Å
330	E	72.9	Confident	72.7	Confident	72 Å²	72	65.2 Å²	65.2	34%	0.336	37%	0.366	S	S	.	.	S	Bend	trans	-132.6	138.7	176.6	-52.5	-177.5	159.6	0	0	112.4	S308 F328 S332 N333 L334	S308-E330 VanDerWaalsContact OG-CG 3.3Å; S308-E330 WeakPolarHBondContact OG-CG 3.49Å; S308-E330 PolarHBondContact OG-OE1 3.24Å; F328-E330 VanDerWaalsContact C-N 3.34Å; E330-S332 WeakPolarHBondContact CB-OG 3.41Å; E330-S332 PolarHBondContact O-N 2.81Å; E330-S332 PolarHBondContact OE2-OG 3.28Å; E330-N333 PolarHBondContact O-N 3.3Å; E330-N333 PolarHBondContact OE2-ND2 2.99Å; E330-L334 PolarHBondContact O-N 3.01Å
331	K	73	Confident	72.9	Confident	135 Å²	135	66.5 Å²	66.5	59%	0.587	36%	0.36	S	S	*	.	H	α-helix	trans	-61	-31.3	176.4	-172.1	169.1	-178.4	169.1	0	113	Y319 N333 L334 I335	Y319-K331 HydrophobicContact CD1-CB 3.91Å; Y319-K331 HydrophobicContact CD1-CG 4.34Å; Y319-K331 HydrophobicContact CD2-CB 4.31Å; Y319-K331 HydrophobicContact CE1-CB 3.93Å; Y319-K331 HydrophobicContact CE1-CD 4.46Å; Y319-K331 HydrophobicContact CE2-CB 4.3Å; Y319-K331 HydrophobicContact CG-CB 4.1Å; K331-N333 VanDerWaalsContact C-N 3.27Å; K331-N333 PolarHBondContact O-N 3.24Å; K331-L334 PolarHBondContact O-N 2.87Å; K331-I335 HydrophobicContact CG-CD1 4.09Å; K331-I335 WeakPolarHBondContact O-CG1 3.27Å; K331-I335 PolarHBondContact O-N 3.26Å
332	S	72.5	Confident	72.7	Confident	52 Å²	52	70.1 Å²	70.1	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-53.4	-41.3	169.9	49.2	0	0	0	0	112.6	E330 N336	E330-S332 WeakPolarHBondContact CB-OG 3.41Å; E330-S332 PolarHBondContact O-N 2.81Å; E330-S332 PolarHBondContact OE2-OG 3.28Å; S332-N336 WeakPolarHBondContact O-CB 3.44Å; S332-N336 PolarHBondContact O-N 3.05Å; S332-N336 VanDerWaalsContact O-N 3.11Å; S332-N336 PolarHBondContact O-ND2 3.12Å
333	N	77.1	Confident	72.7	Confident	57 Å²	57	66.6 Å²	66.6	31%	0.305	36%	0.364	S	S	.	.	H	α-helix	trans	-81.7	-33.3	-175.8	-67.6	-48.2	0	0	0	111.8	F328 E330 K331 N336 H337	F328-N333 HydrophobicContact CB-CB 4.25Å; F328-N333 HydrophobicContact CD1-CB 3.93Å; F328-N333 HydrophobicContact CG-CB 4.32Å; E330-N333 PolarHBondContact O-N 3.3Å; E330-N333 PolarHBondContact OE2-ND2 2.99Å; K331-N333 VanDerWaalsContact C-N 3.27Å; K331-N333 PolarHBondContact O-N 3.24Å; N333-N336 CarbonylContact O-C 3.56Å; N333-N336 PolarHBondContact O-N 2.92Å; N333-H337 VanDerWaalsContact O-CB 3.32Å; N333-H337 WeakPolarHBondContact O-CB 3.41Å; N333-H337 PolarHBondContact O-N 3.15Å
334	L	77.6	Confident	73	Confident	19 Å²	19	66.1 Å²	66.1	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-60.4	-50.8	168.1	175.1	61.1	0	0	0	111.5	G320 C321 F328 E330 K331 N336 H337 Q338	G320-L334 WeakPolarHBondContact O-CD2 3.45Å; C321-L334 HydrophobicContact CB-CD1 3.6Å; F328-L334 HydrophobicContact CB-CB 4.46Å; F328-L334 HydrophobicContact CD2-CB 3.98Å; F328-L334 HydrophobicContact CD2-CD1 3.97Å; F328-L334 HydrophobicContact CE2-CD1 4.15Å; F328-L334 HydrophobicContact CG-CB 4.42Å; E330-L334 PolarHBondContact O-N 3.01Å; K331-L334 PolarHBondContact O-N 2.87Å; L334-N336 VanDerWaalsContact C-N 3.32Å; L334-N336 PolarHBondContact O-N 2.97Å; L334-H337 CarbonylContact O-C 3.56Å; L334-H337 WeakPolarHBondContact O-CA 3.37Å; L334-H337 WeakPolarHBondContact O-CB 3.45Å; L334-H337 PolarHBondContact O-N 2.95Å; L334-Q338 HydrophobicContact CD1-CG 4.04Å; L334-Q338 HydrophobicContact CG-CG 4.42Å; L334-Q338 WeakPolarHBondContact O-CG 3.47Å; L334-Q338 PolarHBondContact O-N 3.14Å
335	I	76.7	Confident	73.7	Confident	72 Å²	72	69.6 Å²	69.6	37%	0.369	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-42.2	178.8	-66.7	164.9	0	0	0	111	K331 H337	K331-I335 HydrophobicContact CG-CD1 4.09Å; K331-I335 WeakPolarHBondContact O-CG1 3.27Å; K331-I335 PolarHBondContact O-N 3.26Å; I335-H337 PolarHBondContact O-N 2.65Å
336	N	73.7	Confident	74.3	Confident	40 Å²	40	69.7 Å²	69.7	21%	0.214	36%	0.359	C	S	.	.	H	α-helix	trans	-71.6	-5.7	174.5	-77.8	-60.7	0	0	0	114.3	S332 N333 L334 R339	S332-N336 WeakPolarHBondContact O-CB 3.44Å; S332-N336 PolarHBondContact O-N 3.05Å; S332-N336 VanDerWaalsContact O-N 3.11Å; S332-N336 PolarHBondContact O-ND2 3.12Å; N333-N336 CarbonylContact O-C 3.56Å; N333-N336 PolarHBondContact O-N 2.92Å; L334-N336 VanDerWaalsContact C-N 3.32Å; L334-N336 PolarHBondContact O-N 2.97Å; N336-R339 PolarHBondContact OD1-NH1 3.13Å
337	H	76.2	Confident	75.1	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.065	34%	0.342	C	S	.	.	H	α-helix	trans	-99.1	-41.3	173.6	174.5	51.5	0	0	0	111.9	C324 F328 N333 L334 I335 R339 I340 H341	C324-H337 PolarHBondContact SG-NE2 3.14Å; F328-H337 HydrophobicContact CE1-CB 4.17Å; F328-H337 HydrophobicContact CE2-CB 3.91Å; F328-H337 AromaticContact CE2-CD2 3.34Å; F328-H337 WeakPolarHBondContact CE2-CD2 3.43Å; F328-H337 AromaticContact CE2-CG 3.76Å; F328-H337 HydrophobicContact CZ-CB 3.55Å; F328-H337 AromaticContact CZ-CD2 3.36Å; F328-H337 WeakPolarHBondContact CZ-CD2 3.38Å; F328-H337 AromaticContact CZ-CG 3.36Å; N333-H337 VanDerWaalsContact O-CB 3.32Å; N333-H337 WeakPolarHBondContact O-CB 3.41Å; N333-H337 PolarHBondContact O-N 3.15Å; L334-H337 CarbonylContact O-C 3.56Å; L334-H337 WeakPolarHBondContact O-CA 3.37Å; L334-H337 WeakPolarHBondContact O-CB 3.45Å; L334-H337 PolarHBondContact O-N 2.95Å; I335-H337 PolarHBondContact O-N 2.65Å; H337-R339 PolarHBondContact O-N 3.09Å; H337-I340 WeakPolarHBondContact O-CB 3.46Å; H337-I340 WeakPolarHBondContact O-CG1 3.44Å; H337-I340 PolarHBondContact O-N 2.79Å; H337-H341 AromaticContact CD2-NE2 3.98Å; H337-H341 AromaticContact CE1-CE1 3.84Å; H337-H341 AromaticContact CE1-NE2 3.54Å; H337-H341 AromaticContact NE2-CE1 3.93Å; H337-H341 AromaticContact NE2-NE2 3.26Å; H337-H341 PolarHBondContact NE2-NE2 3.22Å
338	Q	73.6	Confident	75.1	Confident	65 Å²	65	68.7 Å²	68.7	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-56.5	-33.4	177.3	-71.4	170.2	-62.8	0	0	112.4	L334 I340 H341 T342	L334-Q338 HydrophobicContact CD1-CG 4.04Å; L334-Q338 HydrophobicContact CG-CG 4.42Å; L334-Q338 WeakPolarHBondContact O-CG 3.47Å; L334-Q338 PolarHBondContact O-N 3.14Å; Q338-I340 PolarHBondContact O-N 2.91Å; Q338-H341 PolarHBondContact O-N 3.38Å; Q338-T342 PolarHBondContact O-N 2.84Å; Q338-T342 PolarHBondContact O-OG1 2.95Å
339	R	81.1	Confident	75.3	Confident	48 Å²	48	66.7 Å²	66.7	18%	0.181	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-10.5	170.7	-63.5	-166.8	-176.2	125.8	13.8	115.7	N336 H337 G343 E344 S357	N336-R339 PolarHBondContact OD1-NH1 3.13Å; H337-R339 PolarHBondContact O-N 3.09Å; R339-G343 CarbonylContact O-C 3.56Å; R339-G343 WeakPolarHBondContact O-CA 3.49Å; R339-G343 PolarHBondContact O-N 3.22Å; R339-E344 HydrophobicContact CB-CB 4.16Å; R339-E344 HydrophobicContact CG-CB 3.84Å; R339-E344 IonicContact NE-OE2 3.78Å; R339-S357 PolarHBondContact NH1-O 3.33Å
340	I	71.1	Confident	75.5	Confident	116 Å²	116	77 Å²	77	60%	0.595	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-33.9	171.9	-61.4	176.1	0	0	0	110.4	H337 Q338	H337-I340 WeakPolarHBondContact O-CB 3.46Å; H337-I340 WeakPolarHBondContact O-CG1 3.44Å; H337-I340 PolarHBondContact O-N 2.79Å; Q338-I340 PolarHBondContact O-N 2.91Å
341	H	70	Confident	75.6	Confident	74 Å²	74	78.9 Å²	78.9	34%	0.343	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-48.5	179.9	-50.4	-48.5	0	0	0	111	E323 C324 H337 Q338 G343	E323-H341 IonicContact OE2-CD2 3.99Å; E323-H341 PolarHBondContact OE2-CD2 3.38Å; E323-H341 IonicContact OE2-CG 3.55Å; C324-H341 PolarHBondContact SG-NE2 3.21Å; C324-H341 VanDerWaalsContact SG-NE2 3.35Å; H337-H341 AromaticContact CD2-NE2 3.98Å; H337-H341 AromaticContact CE1-CE1 3.84Å; H337-H341 AromaticContact CE1-NE2 3.54Å; H337-H341 AromaticContact NE2-CE1 3.93Å; H337-H341 AromaticContact NE2-NE2 3.26Å; H337-H341 PolarHBondContact NE2-NE2 3.22Å; Q338-H341 PolarHBondContact O-N 3.38Å; H341-G343 PolarHBondContact O-N 2.97Å
342	T	71	Confident	75.7	Confident	78 Å²	78	74.9 Å²	74.9	48%	0.479	38%	0.376	S	S	.	.	S	Bend	trans	-72	-12.1	176.1	67.9	0	0	0	0	113.7	Q338 E344	Q338-T342 PolarHBondContact O-N 2.84Å; Q338-T342 PolarHBondContact O-OG1 2.95Å; T342-E344 PolarHBondContact O-N 3.05Å; T342-E344 VanDerWaalsContact O-N 3.14Å; T342-E344 WeakPolarHBondContact OG1-CG 3.35Å
343	G	72.4	Confident	75.8	Confident	42 Å²	42	74.7 Å²	74.7	43%	0.433	38%	0.382	S	S	.	.			trans	70.4	0.6	-177.9	0	0	0	0	0	115.3	R339 H341 K345	R339-G343 CarbonylContact O-C 3.56Å; R339-G343 WeakPolarHBondContact O-CA 3.49Å; R339-G343 PolarHBondContact O-N 3.22Å; H341-G343 PolarHBondContact O-N 2.97Å; G343-K345 PolarHBondContact O-N 3.29Å
344	E	73.6	Confident	75.6	Confident	98 Å²	98	77.4 Å²	77.4	46%	0.458	39%	0.392	S	S	.	.			trans	-52.2	129.4	-176.3	-88.3	178.6	-147.7	0	0	113.9	R339 T342 S357	R339-E344 HydrophobicContact CB-CB 4.16Å; R339-E344 HydrophobicContact CG-CB 3.84Å; R339-E344 IonicContact NE-OE2 3.78Å; T342-E344 PolarHBondContact O-N 3.05Å; T342-E344 VanDerWaalsContact O-N 3.14Å; T342-E344 WeakPolarHBondContact OG1-CG 3.35Å; E344-S357 WeakPolarHBondContact O-CB 3.48Å
345	K	79.9	Confident	75.7	Confident	129 Å²	129	78.3 Å²	78.3	56%	0.561	40%	0.401	S	S	*	.			trans	-131.7	74.5	178.1	-71.9	156	179.6	174.1	0	111.5	G343 F347 A355 F356	G343-K345 PolarHBondContact O-N 3.29Å; K345-F347 PolarHBondContact O-N 3.42Å; K345-A355 HydrophobicContact CB-CB 3.52Å; K345-A355 HydrophobicContact CD-CB 4.21Å; K345-A355 WeakPolarHBondContact CD-O 3.41Å; K345-A355 HydrophobicContact CG-CB 4.41Å; K345-F356 CarbonylContact C-O 3.52Å; K345-F356 VanDerWaalsContact CA-O 3.23Å; K345-F356 WeakPolarHBondContact CA-O 3.3Å
346	P	80.1	Confident	75.9	Confident	73 Å²	73	77 Å²	77	47%	0.474	39%	0.393	S	S	.	.			trans	-70	1.5	-172.1	-20.1	34.5	0	0	0	115.9
347	F	82.3	Confident	76.1	Confident	58 Å²	58	76.3 Å²	76.3	25%	0.254	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	90.1	-173.6	-55.5	-75.1	0	0	0	110.5	K345 F356 R358 K359 L362	K345-F347 PolarHBondContact O-N 3.42Å; F347-F356 HydrophobicContact CB-CB 4.41Å; F347-F356 WeakPolarHBondContact CB-O 3.2Å; F347-F356 WeakPolarHBondContact CD2-O 3.37Å; F347-F356 PolarHBondContact N-O 3.38Å; F347-F356 VanDerWaalsContact N-O 3.1Å; F347-F356 PolarHBondContact O-N 2.73Å; F347-R358 VanDerWaalsContact CD2-C 3.41Å; F347-K359 HydrophobicContact CD1-CB 3.8Å; F347-K359 HydrophobicContact CD1-CG 4.23Å; F347-K359 VanDerWaalsContact CD2-N 3.33Å; F347-K359 HydrophobicContact CE1-CB 3.72Å; F347-K359 HydrophobicContact CE1-CG 4.33Å; F347-K359 HydrophobicContact CE2-CB 4.49Å; F347-K359 HydrophobicContact CG-CB 4.24Å; F347-K359 HydrophobicContact CZ-CB 4.08Å; F347-L362 HydrophobicContact CB-CB 4.11Å; F347-L362 HydrophobicContact CB-CD2 3.91Å
348	E	72.9	Confident	76.1	Confident	122 Å²	122	80.3 Å²	80.3	57%	0.57	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	140.9	-178.6	-165.8	-179.3	165.6	0	0	113.7	G353 A355	E348-G353 WeakPolarHBondContact OE1-CA 3.5Å; E348-A355 HydrophobicContact CB-CB 4.44Å; E348-A355 HydrophobicContact CG-CB 4.42Å
349	C	81.1	Confident	76.1	Confident	5 Å²	5	84.1 Å²	84.1	3%	0.034	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	103.8	171.8	-170.2	0	0	0	0	111	E351 C352 G353 K354 F356 L362 H369	C349-E351 PolarHBondContact O-N 2.78Å; C349-E351 VanDerWaalsContact O-N 3.07Å; C349-C352 PolarHBondContact O-N 2.62Å; C349-G353 PolarHBondContact O-N 3.4Å; C349-K354 HydrophobicContact CB-CB 4.47Å; C349-K354 WeakPolarHBondContact CB-O 3.4Å; C349-K354 PolarHBondContact N-O 2.96Å; C349-F356 HydrophobicContact CB-CE2 4.49Å; C349-L362 HydrophobicContact CB-CD1 3.54Å; C349-H369 PolarHBondContact SG-NE2 3.44Å; C349-H369 VanDerWaalsContact SG-NE2 3.41Å
350	R	76.7	Confident	75.7	Confident	249 Å²	249	85.4 Å²	85.4	94%	0.94	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26	-179.5	-68.2	-176.2	174.8	-173.8	-3.5	114.5
351	E	75.4	Confident	75.9	Confident	111 Å²	111	83.5 Å²	83.5	52%	0.519	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.8	-179.8	-59	176.3	123.5	0	0	114	C349 H366 H369	C349-E351 PolarHBondContact O-N 2.78Å; C349-E351 VanDerWaalsContact O-N 3.07Å; E351-H366 IonicContact OE1-NE2 3.77Å; E351-H366 IonicContact OE2-CD2 3.39Å; E351-H366 PolarHBondContact OE2-CD2 2.86Å; E351-H366 IonicContact OE2-NE2 3.54Å; E351-H369 WeakPolarHBondContact OE2-CB 3.36Å; E351-H369 IonicContact OE2-CD2 3.96Å; E351-H369 PolarHBondContact OE2-CD2 3.47Å; E351-H369 IonicContact OE2-CG 3.89Å; E351-H369 IonicContact OE2-NE2 3.36Å
352	C	74.4	Confident	76.4	Confident	50 Å²	50	81.7 Å²	81.7	34%	0.338	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.3	14.7	-174.9	77.4	0	0	0	0	116.2	C349 K354 H365 H369	C349-C352 PolarHBondContact O-N 2.62Å; C352-K354 PolarHBondContact O-N 3.14Å; C352-H365 PolarHBondContact SG-NE2 3.33Å; C352-H369 VanDerWaalsContact SG-CE1 3.54Å; C352-H369 PolarHBondContact SG-NE2 3.41Å
353	G	74.8	Confident	76.7	Confident	48 Å²	48	81.5 Å²	81.5	50%	0.495	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	11.3	178.2	0	0	0	0	0	116	E348 C349 A355	E348-G353 WeakPolarHBondContact OE1-CA 3.5Å; C349-G353 PolarHBondContact O-N 3.4Å; G353-A355 PolarHBondContact O-N 3.35Å
354	K	72.7	Confident	76.7	Confident	115 Å²	115	81 Å²	81	50%	0.5	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.1	-177.3	-74.3	176.5	-171.4	157.9	0	110.5	C349 C352 F356	C349-K354 HydrophobicContact CB-CB 4.47Å; C349-K354 WeakPolarHBondContact CB-O 3.4Å; C349-K354 PolarHBondContact N-O 2.96Å; C352-K354 PolarHBondContact O-N 3.14Å; K354-F356 HydrophobicContact CB-CE2 3.79Å; K354-F356 HydrophobicContact CB-CZ 4.04Å; K354-F356 WeakPolarHBondContact O-CD2 3.46Å; K354-F356 WeakPolarHBondContact O-CE2 3.49Å
355	A	80.1	Confident	76.9	Confident	37 Å²	37	77.3 Å²	77.3	31%	0.306	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.4	179.9	0	0	0	0	0	112.8	K345 E348 G353	K345-A355 HydrophobicContact CB-CB 3.52Å; K345-A355 HydrophobicContact CD-CB 4.21Å; K345-A355 WeakPolarHBondContact CD-O 3.41Å; K345-A355 HydrophobicContact CG-CB 4.41Å; E348-A355 HydrophobicContact CB-CB 4.44Å; E348-A355 HydrophobicContact CG-CB 4.42Å; G353-A355 PolarHBondContact O-N 3.35Å
356	F	81.8	Confident	76.6	Confident	45 Å²	45	75.4 Å²	75.4	20%	0.197	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.4	-177	-60.2	-90.6	0	0	0	111.7	K345 F347 C349 K354 Q361 L362 H365	K345-F356 CarbonylContact C-O 3.52Å; K345-F356 VanDerWaalsContact CA-O 3.23Å; K345-F356 WeakPolarHBondContact CA-O 3.3Å; F347-F356 HydrophobicContact CB-CB 4.41Å; F347-F356 WeakPolarHBondContact CB-O 3.2Å; F347-F356 WeakPolarHBondContact CD2-O 3.37Å; F347-F356 PolarHBondContact N-O 3.38Å; F347-F356 VanDerWaalsContact N-O 3.1Å; F347-F356 PolarHBondContact O-N 2.73Å; C349-F356 HydrophobicContact CB-CE2 4.49Å; K354-F356 HydrophobicContact CB-CE2 3.79Å; K354-F356 HydrophobicContact CB-CZ 4.04Å; K354-F356 WeakPolarHBondContact O-CD2 3.46Å; K354-F356 WeakPolarHBondContact O-CE2 3.49Å; F356-Q361 HydrophobicContact CB-CB 4.04Å; F356-Q361 HydrophobicContact CD1-CB 3.75Å; F356-Q361 HydrophobicContact CG-CB 4.12Å; F356-L362 HydrophobicContact CD2-CB 4.11Å; F356-L362 HydrophobicContact CD2-CD1 4.05Å; F356-L362 HydrophobicContact CE2-CD1 4.27Å; F356-L362 HydrophobicContact CG-CB 4.5Å; F356-H365 HydrophobicContact CE1-CB 4.11Å; F356-H365 HydrophobicContact CE2-CB 3.9Å; F356-H365 AromaticContact CE2-CD2 3.3Å; F356-H365 WeakPolarHBondContact CE2-CD2 3.27Å; F356-H365 AromaticContact CE2-CG 3.76Å; F356-H365 HydrophobicContact CZ-CB 3.53Å; F356-H365 AromaticContact CZ-CD2 3.31Å; F356-H365 WeakPolarHBondContact CZ-CD2 3.42Å; F356-H365 AromaticContact CZ-CG 3.36Å
357	S	76.7	Confident	76.5	Confident	25 Å²	25	75.2 Å²	75.2	18%	0.175	37%	0.372	C	S	.	.	S	Bend	trans	-85.7	-8.7	179.9	61.3	0	0	0	0	113.9	R339 E344	R339-S357 PolarHBondContact NH1-O 3.33Å; E344-S357 WeakPolarHBondContact O-CB 3.48Å
358	R	75.6	Confident	76	Confident	98 Å²	98	75.4 Å²	75.4	37%	0.37	38%	0.378	S	S	.	.	S	Bend	trans	-137.9	135.6	177	-56.5	-177.1	-177.1	-168	-1.5	111.9	F347 S360 Q361 L362	F347-R358 VanDerWaalsContact CD2-C 3.41Å; R358-S360 PolarHBondContact O-N 2.94Å; R358-S360 VanDerWaalsContact O-N 3.16Å; R358-Q361 HydrophobicContact CB-CG 4.21Å; R358-Q361 WeakPolarHBondContact O-CB 3.47Å; R358-Q361 PolarHBondContact O-N 2.81Å; R358-L362 PolarHBondContact O-N 2.89Å
359	K	74.1	Confident	76	Confident	145 Å²	145	73.1 Å²	73.1	63%	0.63	37%	0.367	S	S	*	.	H	α-helix	trans	-55.1	-34.3	177.7	-170.7	171.7	-180	174.6	0	113.5	F347 Q361 L362 V363	F347-K359 HydrophobicContact CD1-CB 3.8Å; F347-K359 HydrophobicContact CD1-CG 4.23Å; F347-K359 VanDerWaalsContact CD2-N 3.33Å; F347-K359 HydrophobicContact CE1-CB 3.72Å; F347-K359 HydrophobicContact CE1-CG 4.33Å; F347-K359 HydrophobicContact CE2-CB 4.49Å; F347-K359 HydrophobicContact CG-CB 4.24Å; F347-K359 HydrophobicContact CZ-CB 4.08Å; K359-Q361 VanDerWaalsContact C-N 3.32Å; K359-Q361 PolarHBondContact O-N 3.46Å; K359-L362 PolarHBondContact O-N 3.04Å; K359-V363 WeakPolarHBondContact O-CG2 3.34Å; K359-V363 PolarHBondContact O-N 3.43Å
360	S	72.9	Confident	75.4	Confident	76 Å²	76	76.5 Å²	76.5	53%	0.531	39%	0.388	S	S	.	.	H	α-helix	trans	-63.1	-35.2	177	50	0	0	0	0	113.3	R358 V363 T364	R358-S360 PolarHBondContact O-N 2.94Å; R358-S360 VanDerWaalsContact O-N 3.16Å; S360-V363 PolarHBondContact O-N 3.19Å; S360-T364 PolarHBondContact O-N 3.2Å; S360-T364 PolarHBondContact O-OG1 3Å
361	Q	75.9	Confident	75	Confident	76 Å²	76	66.8 Å²	66.8	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-71.8	-35.9	177.2	-64.4	168.6	-25.5	0	0	111.7	F356 R358 K359 T364 H365	F356-Q361 HydrophobicContact CB-CB 4.04Å; F356-Q361 HydrophobicContact CD1-CB 3.75Å; F356-Q361 HydrophobicContact CG-CB 4.12Å; R358-Q361 HydrophobicContact CB-CG 4.21Å; R358-Q361 WeakPolarHBondContact O-CB 3.47Å; R358-Q361 PolarHBondContact O-N 2.81Å; K359-Q361 VanDerWaalsContact C-N 3.32Å; K359-Q361 PolarHBondContact O-N 3.46Å; Q361-T364 PolarHBondContact O-N 3.33Å; Q361-T364 PolarHBondContact O-OG1 3.25Å; Q361-H365 VanDerWaalsContact O-CB 3.24Å; Q361-H365 WeakPolarHBondContact O-CB 3.47Å; Q361-H365 PolarHBondContact O-N 3.48Å
362	L	79.5	Confident	74.8	Confident	35 Å²	35	64.8 Å²	64.8	18%	0.183	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-42	170.8	175.8	60.6	0	0	0	111	F347 C349 F356 R358 K359 H365 H366	F347-L362 HydrophobicContact CB-CB 4.11Å; F347-L362 HydrophobicContact CB-CD2 3.91Å; C349-L362 HydrophobicContact CB-CD1 3.54Å; F356-L362 HydrophobicContact CD2-CB 4.11Å; F356-L362 HydrophobicContact CD2-CD1 4.05Å; F356-L362 HydrophobicContact CE2-CD1 4.27Å; F356-L362 HydrophobicContact CG-CB 4.5Å; R358-L362 PolarHBondContact O-N 2.89Å; K359-L362 PolarHBondContact O-N 3.04Å; L362-H365 PolarHBondContact O-N 2.95Å; L362-H366 WeakPolarHBondContact O-CB 3.42Å; L362-H366 PolarHBondContact O-N 3.41Å
363	V	77.7	Confident	74.9	Confident	74 Å²	74	67.3 Å²	67.3	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-40.6	177.1	171.2	0	0	0	0	112.2	K359 S360	K359-V363 WeakPolarHBondContact O-CG2 3.34Å; K359-V363 PolarHBondContact O-N 3.43Å; S360-V363 PolarHBondContact O-N 3.19Å
364	T	73.1	Confident	75	Confident	31 Å²	31	68.7 Å²	68.7	19%	0.19	37%	0.366	C	S	.	.	H	α-helix	trans	-73.5	-27.9	174.3	56.3	0	0	0	0	112.5	S360 Q361 R367 E386	S360-T364 PolarHBondContact O-N 3.2Å; S360-T364 PolarHBondContact O-OG1 3Å; Q361-T364 PolarHBondContact O-N 3.33Å; Q361-T364 PolarHBondContact O-OG1 3.25Å; T364-R367 WeakPolarHBondContact O-CB 3.44Å; T364-E386 HydrophobicContact CG2-CG 3.96Å
365	H	77.8	Confident	75.4	Confident	22 Å²	22	66 Å²	66	10%	0.102	35%	0.354	C	S	.	.	H	α-helix	trans	-70.6	-40.2	172.6	179.6	41.8	0	0	0	113.4	C352 F356 Q361 L362 R367 T368 H369	C352-H365 PolarHBondContact SG-NE2 3.33Å; F356-H365 HydrophobicContact CE1-CB 4.11Å; F356-H365 HydrophobicContact CE2-CB 3.9Å; F356-H365 AromaticContact CE2-CD2 3.3Å; F356-H365 WeakPolarHBondContact CE2-CD2 3.27Å; F356-H365 AromaticContact CE2-CG 3.76Å; F356-H365 HydrophobicContact CZ-CB 3.53Å; F356-H365 AromaticContact CZ-CD2 3.31Å; F356-H365 WeakPolarHBondContact CZ-CD2 3.42Å; F356-H365 AromaticContact CZ-CG 3.36Å; Q361-H365 VanDerWaalsContact O-CB 3.24Å; Q361-H365 WeakPolarHBondContact O-CB 3.47Å; Q361-H365 PolarHBondContact O-N 3.48Å; L362-H365 PolarHBondContact O-N 2.95Å; H365-R367 PolarHBondContact O-N 2.88Å; H365-R367 VanDerWaalsContact O-N 3.14Å; H365-T368 PolarHBondContact CE1-OG1 3.33Å; H365-T368 VanDerWaalsContact CE1-OG1 3.24Å; H365-T368 PolarHBondContact ND1-OG1 2.74Å; H365-T368 WeakPolarHBondContact O-CA 3.32Å; H365-T368 VanDerWaalsContact O-CB 3.31Å; H365-T368 WeakPolarHBondContact O-CB 3.48Å; H365-T368 PolarHBondContact O-N 3.18Å; H365-T368 PolarHBondContact O-OG1 2.91Å; H365-H369 AromaticContact CD2-NE2 3.98Å; H365-H369 AromaticContact CE1-CE1 3.87Å; H365-H369 AromaticContact CE1-NE2 3.5Å; H365-H369 PolarHBondContact CE1-NE2 3.47Å; H365-H369 AromaticContact NE2-CE1 3.88Å; H365-H369 AromaticContact NE2-NE2 3.2Å; H365-H369 PolarHBondContact NE2-NE2 3.03Å; H365-H369 VanDerWaalsContact NE2-NE2 3.2Å
366	H	72.9	Confident	75.3	Confident	89 Å²	89	66.4 Å²	66.4	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-59.5	-26.3	178.4	-172.8	-163.6	0	0	0	112.5	E351 L362 T368 H369 T370	E351-H366 IonicContact OE1-NE2 3.77Å; E351-H366 IonicContact OE2-CD2 3.39Å; E351-H366 PolarHBondContact OE2-CD2 2.86Å; E351-H366 IonicContact OE2-NE2 3.54Å; L362-H366 WeakPolarHBondContact O-CB 3.42Å; L362-H366 PolarHBondContact O-N 3.41Å; H366-T368 PolarHBondContact O-N 3.18Å; H366-H369 PolarHBondContact O-N 2.88Å; H366-T370 PolarHBondContact O-N 2.85Å; H366-T370 PolarHBondContact O-OG1 2.89Å
367	R	78.9	Confident	75.4	Confident	68 Å²	68	65 Å²	65	26%	0.257	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.9	169.5	-62.1	-178.9	-179.8	159	2.8	113.9	T364 H365 T370 G371 T372 F385	T364-R367 WeakPolarHBondContact O-CB 3.44Å; H365-R367 PolarHBondContact O-N 2.88Å; H365-R367 VanDerWaalsContact O-N 3.14Å; R367-T370 WeakPolarHBondContact CA-OG1 3.36Å; R367-G371 CarbonylContact O-C 3.54Å; R367-G371 WeakPolarHBondContact O-CA 3.29Å; R367-G371 PolarHBondContact O-N 3.4Å; R367-G371 VanDerWaalsContact O-N 3.07Å; R367-T372 PolarHBondContact O-N 3.49Å; R367-F385 HydrophobicContact CB-CD1 3.69Å; R367-F385 HydrophobicContact CB-CE1 4.23Å; R367-F385 PolarHBondContact NH1-O 2.87Å; R367-F385 VanDerWaalsContact O-CE1 3.32Å; R367-F385 WeakPolarHBondContact O-CE1 3.31Å
368	T	71.9	Confident	75.5	Confident	63 Å²	63	68.5 Å²	68.5	39%	0.387	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.9	178.3	71	0	0	0	0	113.4	H365 H366 F385	H365-T368 PolarHBondContact CE1-OG1 3.33Å; H365-T368 VanDerWaalsContact CE1-OG1 3.24Å; H365-T368 PolarHBondContact ND1-OG1 2.74Å; H365-T368 WeakPolarHBondContact O-CA 3.32Å; H365-T368 VanDerWaalsContact O-CB 3.31Å; H365-T368 WeakPolarHBondContact O-CB 3.48Å; H365-T368 PolarHBondContact O-N 3.18Å; H365-T368 PolarHBondContact O-OG1 2.91Å; H366-T368 PolarHBondContact O-N 3.18Å; T368-F385 HydrophobicContact CG2-CD1 4.44Å; T368-F385 HydrophobicContact CG2-CD2 4.18Å; T368-F385 HydrophobicContact CG2-CE1 4.19Å; T368-F385 HydrophobicContact CG2-CE2 3.91Å; T368-F385 HydrophobicContact CG2-CG 4.43Å; T368-F385 HydrophobicContact CG2-CZ 3.9Å
369	H	71.6	Confident	75.5	Confident	73 Å²	73	68 Å²	68	34%	0.338	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-48.5	173.6	-59.7	-54.2	0	0	0	111.1	C349 E351 C352 H365 H366 G371	C349-H369 PolarHBondContact SG-NE2 3.44Å; C349-H369 VanDerWaalsContact SG-NE2 3.41Å; E351-H369 WeakPolarHBondContact OE2-CB 3.36Å; E351-H369 IonicContact OE2-CD2 3.96Å; E351-H369 PolarHBondContact OE2-CD2 3.47Å; E351-H369 IonicContact OE2-CG 3.89Å; E351-H369 IonicContact OE2-NE2 3.36Å; C352-H369 VanDerWaalsContact SG-CE1 3.54Å; C352-H369 PolarHBondContact SG-NE2 3.41Å; H365-H369 AromaticContact CD2-NE2 3.98Å; H365-H369 AromaticContact CE1-CE1 3.87Å; H365-H369 AromaticContact CE1-NE2 3.5Å; H365-H369 PolarHBondContact CE1-NE2 3.47Å; H365-H369 AromaticContact NE2-CE1 3.88Å; H365-H369 AromaticContact NE2-NE2 3.2Å; H365-H369 PolarHBondContact NE2-NE2 3.03Å; H365-H369 VanDerWaalsContact NE2-NE2 3.2Å; H366-H369 PolarHBondContact O-N 2.88Å; H369-G371 PolarHBondContact O-N 3.39Å; H369-G371 VanDerWaalsContact O-N 3.12Å
370	T	68.8	Low	75.7	Confident	76 Å²	76	62.7 Å²	62.7	47%	0.466	37%	0.368	S	S	.	.	S	Bend	trans	-68.6	-5	174.2	56.5	0	0	0	0	114.3	H366 R367 T372	H366-T370 PolarHBondContact O-N 2.85Å; H366-T370 PolarHBondContact O-OG1 2.89Å; R367-T370 WeakPolarHBondContact CA-OG1 3.36Å; T370-T372 PolarHBondContact O-N 2.99Å; T370-T372 PolarHBondContact OG1-OG1 3.22Å
371	G	69.3	Low	75.8	Confident	45 Å²	45	71.7 Å²	71.7	46%	0.464	39%	0.39	S	S	.	.			trans	66.4	-4.3	-176.2	0	0	0	0	0	115.4	R367 H369 K373	R367-G371 CarbonylContact O-C 3.54Å; R367-G371 WeakPolarHBondContact O-CA 3.29Å; R367-G371 PolarHBondContact O-N 3.4Å; R367-G371 VanDerWaalsContact O-N 3.07Å; H369-G371 PolarHBondContact O-N 3.39Å; H369-G371 VanDerWaalsContact O-N 3.12Å; G371-K373 PolarHBondContact O-N 3.42Å
372	T	70.8	Confident	75.8	Confident	69 Å²	69	74 Å²	74	42%	0.423	40%	0.399	S	S	.	.			trans	-65.1	121.5	-170.5	52.3	0	0	0	0	112.1	R367 T370 F385	R367-T372 PolarHBondContact O-N 3.49Å; T370-T372 PolarHBondContact O-N 2.99Å; T370-T372 PolarHBondContact OG1-OG1 3.22Å; T372-F385 VanDerWaalsContact O-CD1 3.25Å; T372-F385 WeakPolarHBondContact O-CD1 3.48Å; T372-F385 WeakPolarHBondContact O-CE1 3.42Å
373	K	77.3	Confident	75.8	Confident	104 Å²	104	73.9 Å²	73.9	45%	0.452	40%	0.403	S	S	.	.			trans	-125.5	81.7	-178.2	-74.8	166.8	164.7	-164.9	0	110.3	G371 F375 A383 F384 F385	G371-K373 PolarHBondContact O-N 3.42Å; K373-F375 PolarHBondContact O-N 2.89Å; K373-A383 HydrophobicContact CB-CB 3.59Å; K373-A383 HydrophobicContact CD-CB 4.3Å; K373-A383 WeakPolarHBondContact CD-O 3.47Å; K373-F384 CarbonylContact C-O 3.59Å; K373-F384 WeakPolarHBondContact CA-O 3.27Å; K373-F385 HydrophobicContact CD-CE1 4.26Å; K373-F385 HydrophobicContact CD-CZ 4.29Å; K373-F385 HydrophobicContact CG-CD1 3.76Å; K373-F385 HydrophobicContact CG-CE1 3.46Å; K373-F385 VanDerWaalsContact CG-CE1 3.46Å; K373-F385 HydrophobicContact CG-CG 4.46Å; K373-F385 HydrophobicContact CG-CZ 3.94Å
374	P	76.8	Confident	76	Confident	77 Å²	77	72.2 Å²	72.2	50%	0.5	39%	0.39	S	S	.	.			trans	-66.9	-12.4	-169.7	-20.9	33.7	0	0	0	114.7
375	F	80.1	Confident	76.1	Confident	58 Å²	58	73.1 Å²	73.1	25%	0.254	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	80.9	-172	-54.4	-70.3	0	0	0	110.2	K373 A383 F384 K387 L390	K373-F375 PolarHBondContact O-N 2.89Å; F375-A383 CarbonylContact O-C 3.19Å; F375-A383 WeakPolarHBondContact O-CA 3.32Å; F375-F384 HydrophobicContact CB-CB 4.4Å; F375-F384 PolarHBondContact N-O 3Å; F375-F384 PolarHBondContact O-N 2.74Å; F375-K387 HydrophobicContact CD1-CB 3.82Å; F375-K387 HydrophobicContact CD1-CG 4.25Å; F375-K387 HydrophobicContact CE1-CB 3.8Å; F375-K387 HydrophobicContact CE1-CG 4.41Å; F375-K387 HydrophobicContact CG-CB 4.24Å; F375-K387 HydrophobicContact CZ-CB 4.19Å; F375-L390 HydrophobicContact CB-CB 4.07Å; F375-L390 HydrophobicContact CB-CD2 3.9Å
376	G	78.9	Confident	76	Confident	46 Å²	46	75.9 Å²	75.9	47%	0.474	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	145.9	172.3	0	0	0	0	0	112.8	L390	G376-L390 VanDerWaalsContact O-CD2 3.26Å; G376-L390 WeakPolarHBondContact O-CD2 3.36Å
377	C	82.5	Confident	76.1	Confident	15 Å²	15	78 Å²	78	10%	0.101	41%	0.412	C	S	.	.			trans	-87	138.2	167.3	179.1	0	0	0	0	109.8	D379 C380 K382 L390	C377-D379 PolarHBondContact SG-N 3.32Å; C377-D379 VanDerWaalsContact SG-N 3.44Å; C377-C380 WeakPolarHBondContact CB-O 3.19Å; C377-K382 WeakPolarHBondContact CB-O 3.41Å; C377-K382 PolarHBondContact N-O 3.03Å; C377-L390 HydrophobicContact CB-CD1 3.67Å
378	S	78.9	Confident	75.9	Confident	98 Å²	98	77.7 Å²	77.7	69%	0.685	42%	0.421	S	S	*	.	S	Bend	trans	-66	-43.8	171.8	38.2	0	0	0	0	111.7	C380	S378-C380 PolarHBondContact O-N 3.16Å
379	D	75.4	Confident	76.2	Confident	88 Å²	88	77.5 Å²	77.5	47%	0.471	42%	0.415	S	S	.	.	S	Bend	trans	-86	-12.9	-163.2	-25.5	-48.6	0	0	0	112.3	C377 H397	C377-D379 PolarHBondContact SG-N 3.32Å; C377-D379 VanDerWaalsContact SG-N 3.44Å; D379-H397 HydrophobicContact CB-CB 4.3Å; D379-H397 IonicContact OD2-CD2 3.17Å; D379-H397 PolarHBondContact OD2-CD2 3.32Å; D379-H397 VanDerWaalsContact OD2-CD2 3.25Å; D379-H397 IonicContact OD2-CG 3.45Å
380	C	79.6	Confident	76.6	Confident	34 Å²	34	74.9 Å²	74.9	23%	0.23	40%	0.404	C	S	.	.	S	Bend	trans	-156.3	156.7	168.8	76.8	0	0	0	0	111.4	C377 S378 K382 H393 H397	C377-C380 WeakPolarHBondContact CB-O 3.19Å; S378-C380 PolarHBondContact O-N 3.16Å; C380-K382 PolarHBondContact O-N 3.34Å; C380-H393 PolarHBondContact SG-NE2 3.33Å; C380-H397 PolarHBondContact SG-NE2 2.85Å
381	R	74.9	Confident	77.1	Confident	264 Å²	264	75.9 Å²	75.9	100%	0.996	41%	0.405	S	S	*	.	S	Bend	trans	-70.3	39.9	-177.4	-57.4	-176.9	-178.1	-178.8	-0.1	114.8
382	K	74.6	Confident	77.5	Confident	124 Å²	124	79.2 Å²	79.2	54%	0.539	40%	0.404	S	S	.	.			trans	-107.4	134.8	175.8	-70	177.7	-178.6	167.6	0	110.1	C377 C380 F384	C377-K382 WeakPolarHBondContact CB-O 3.41Å; C377-K382 PolarHBondContact N-O 3.03Å; C380-K382 PolarHBondContact O-N 3.34Å; K382-F384 HydrophobicContact CB-CE2 3.95Å; K382-F384 HydrophobicContact CB-CZ 4.04Å
383	A	81.3	Confident	78	Confident	33 Å²	33	76.7 Å²	76.7	27%	0.273	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151	176.2	0	0	0	0	0	111.3	K373 F375	K373-A383 HydrophobicContact CB-CB 3.59Å; K373-A383 HydrophobicContact CD-CB 4.3Å; K373-A383 WeakPolarHBondContact CD-O 3.47Å; F375-A383 CarbonylContact O-C 3.19Å; F375-A383 WeakPolarHBondContact O-CA 3.32Å
384	F	81.8	Confident	78.1	Confident	39 Å²	39	74.7 Å²	74.7	17%	0.171	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	161.1	-167.2	-60.7	-87.8	0	0	0	112.3	K373 F375 K382 E389 L390 H393	K373-F384 CarbonylContact C-O 3.59Å; K373-F384 WeakPolarHBondContact CA-O 3.27Å; F375-F384 HydrophobicContact CB-CB 4.4Å; F375-F384 PolarHBondContact N-O 3Å; F375-F384 PolarHBondContact O-N 2.74Å; K382-F384 HydrophobicContact CB-CE2 3.95Å; K382-F384 HydrophobicContact CB-CZ 4.04Å; F384-E389 HydrophobicContact CB-CB 3.93Å; F384-E389 HydrophobicContact CD1-CB 3.78Å; F384-E389 HydrophobicContact CG-CB 4.06Å; F384-L390 HydrophobicContact CD2-CB 4.07Å; F384-L390 HydrophobicContact CD2-CD1 4.03Å; F384-L390 HydrophobicContact CE2-CD1 4.24Å; F384-L390 HydrophobicContact CG-CB 4.48Å; F384-H393 HydrophobicContact CE1-CB 4.13Å; F384-H393 HydrophobicContact CE2-CB 3.84Å; F384-H393 AromaticContact CE2-CD2 3.32Å; F384-H393 WeakPolarHBondContact CE2-CD2 3.16Å; F384-H393 AromaticContact CE2-CG 3.66Å; F384-H393 HydrophobicContact CZ-CB 3.55Å; F384-H393 AromaticContact CZ-CD2 3.34Å; F384-H393 WeakPolarHBondContact CZ-CD2 3.24Å; F384-H393 AromaticContact CZ-CG 3.29Å; F384-H393 AromaticContact CZ-ND1 3.96Å
385	F	73.9	Confident	78.3	Confident	50 Å²	50	71.8 Å²	71.8	22%	0.219	36%	0.36	C	S	.	.	S	Bend	trans	-86.2	-23	-177.7	-61.6	-66.4	0	0	0	112.6	R367 T368 T372 K373 E389	R367-F385 HydrophobicContact CB-CD1 3.69Å; R367-F385 HydrophobicContact CB-CE1 4.23Å; R367-F385 PolarHBondContact NH1-O 2.87Å; R367-F385 VanDerWaalsContact O-CE1 3.32Å; R367-F385 WeakPolarHBondContact O-CE1 3.31Å; T368-F385 HydrophobicContact CG2-CD1 4.44Å; T368-F385 HydrophobicContact CG2-CD2 4.18Å; T368-F385 HydrophobicContact CG2-CE1 4.19Å; T368-F385 HydrophobicContact CG2-CE2 3.91Å; T368-F385 HydrophobicContact CG2-CG 4.43Å; T368-F385 HydrophobicContact CG2-CZ 3.9Å; T372-F385 VanDerWaalsContact O-CD1 3.25Å; T372-F385 WeakPolarHBondContact O-CD1 3.48Å; T372-F385 WeakPolarHBondContact O-CE1 3.42Å; K373-F385 HydrophobicContact CD-CE1 4.26Å; K373-F385 HydrophobicContact CD-CZ 4.29Å; K373-F385 HydrophobicContact CG-CD1 3.76Å; K373-F385 HydrophobicContact CG-CE1 3.46Å; K373-F385 VanDerWaalsContact CG-CE1 3.46Å; K373-F385 HydrophobicContact CG-CG 4.46Å; K373-F385 HydrophobicContact CG-CZ 3.94Å; F385-E389 PolarHBondContact N-OE2 3.48Å
386	E	75.6	Confident	78.2	Confident	80 Å²	80	73.2 Å²	73.2	37%	0.374	37%	0.37	S	S	.	.	S	Bend	trans	-131.1	149.2	174.1	-59.6	-174	-178.1	0	0	112.7	T364 S388 E389 L390	T364-E386 HydrophobicContact CG2-CG 3.96Å; E386-S388 WeakPolarHBondContact CB-OG 3.35Å; E386-S388 PolarHBondContact O-N 3.43Å; E386-S388 PolarHBondContact OE2-OG 3.24Å; E386-E389 HydrophobicContact CB-CG 4.29Å; E386-E389 WeakPolarHBondContact O-CB 3.31Å; E386-E389 PolarHBondContact O-N 3.5Å; E386-E389 VanDerWaalsContact O-N 3.16Å; E386-L390 PolarHBondContact O-N 3.01Å
387	K	75.6	Confident	78.1	Confident	133 Å²	133	74.8 Å²	74.8	58%	0.578	37%	0.365	S	S	*	.	H	α-helix	trans	-62.7	-30	174.6	-168.4	176.2	-179.2	176.7	0	112.6	F375 E389 L390 I391	F375-K387 HydrophobicContact CD1-CB 3.82Å; F375-K387 HydrophobicContact CD1-CG 4.25Å; F375-K387 HydrophobicContact CE1-CB 3.8Å; F375-K387 HydrophobicContact CE1-CG 4.41Å; F375-K387 HydrophobicContact CG-CB 4.24Å; F375-K387 HydrophobicContact CZ-CB 4.19Å; K387-E389 VanDerWaalsContact C-N 3.32Å; K387-E389 PolarHBondContact O-N 3.1Å; K387-L390 PolarHBondContact O-N 3.43Å; K387-I391 HydrophobicContact CG-CD1 4.02Å; K387-I391 HydrophobicContact CG-CG1 4.43Å; K387-I391 WeakPolarHBondContact O-CG1 3.45Å; K387-I391 PolarHBondContact O-N 3.48Å
388	S	74.6	Confident	77.8	Confident	63 Å²	63	78 Å²	78	44%	0.441	38%	0.384	S	S	.	.	H	α-helix	trans	-56.4	-43.1	172.8	52.8	0	0	0	0	112.1	E386 R392	E386-S388 WeakPolarHBondContact CB-OG 3.35Å; E386-S388 PolarHBondContact O-N 3.43Å; E386-S388 PolarHBondContact OE2-OG 3.24Å; S388-R392 WeakPolarHBondContact O-CB 3.48Å; S388-R392 PolarHBondContact O-N 3.37Å; S388-R392 VanDerWaalsContact O-N 3.15Å
389	E	77.9	Confident	77.6	Confident	58 Å²	58	75 Å²	75	27%	0.271	37%	0.369	S	S	.	.	H	α-helix	trans	-71.1	-40	178.2	-61.4	-171.1	118.2	0	0	112.2	F384 F385 E386 K387 R392 H393	F384-E389 HydrophobicContact CB-CB 3.93Å; F384-E389 HydrophobicContact CD1-CB 3.78Å; F384-E389 HydrophobicContact CG-CB 4.06Å; F385-E389 PolarHBondContact N-OE2 3.48Å; E386-E389 HydrophobicContact CB-CG 4.29Å; E386-E389 WeakPolarHBondContact O-CB 3.31Å; E386-E389 PolarHBondContact O-N 3.5Å; E386-E389 VanDerWaalsContact O-N 3.16Å; K387-E389 VanDerWaalsContact C-N 3.32Å; K387-E389 PolarHBondContact O-N 3.1Å; E389-R392 PolarHBondContact O-N 3.25Å; E389-R392 IonicContact OE1-NH2 3.81Å; E389-H393 VanDerWaalsContact O-CB 3.31Å; E389-H393 WeakPolarHBondContact O-CB 3.49Å; E389-H393 PolarHBondContact O-N 3.35Å
390	L	80.9	Confident	77.7	Confident	19 Å²	19	76.2 Å²	76.2	10%	0.099	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-49.1	175.8	173	60.6	0	0	0	111.7	F375 G376 C377 F384 E386 K387 R392 H393 Q394	F375-L390 HydrophobicContact CB-CB 4.07Å; F375-L390 HydrophobicContact CB-CD2 3.9Å; G376-L390 VanDerWaalsContact O-CD2 3.26Å; G376-L390 WeakPolarHBondContact O-CD2 3.36Å; C377-L390 HydrophobicContact CB-CD1 3.67Å; F384-L390 HydrophobicContact CD2-CB 4.07Å; F384-L390 HydrophobicContact CD2-CD1 4.03Å; F384-L390 HydrophobicContact CE2-CD1 4.24Å; F384-L390 HydrophobicContact CG-CB 4.48Å; E386-L390 PolarHBondContact O-N 3.01Å; K387-L390 PolarHBondContact O-N 3.43Å; L390-R392 VanDerWaalsContact C-N 3.32Å; L390-R392 PolarHBondContact O-N 2.97Å; L390-H393 CarbonylContact O-C 3.56Å; L390-H393 WeakPolarHBondContact O-CA 3.24Å; L390-H393 WeakPolarHBondContact O-CB 3.29Å; L390-H393 PolarHBondContact O-N 2.92Å; L390-Q394 HydrophobicContact CD1-CG 4.2Å; L390-Q394 WeakPolarHBondContact O-CG 3.23Å; L390-Q394 PolarHBondContact O-N 2.96Å
391	I	79	Confident	77.8	Confident	96 Å²	96	80.1 Å²	80.1	49%	0.492	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-45.4	178.1	-68.2	164.9	0	0	0	110.3	K387 H393 Q394	K387-I391 HydrophobicContact CG-CD1 4.02Å; K387-I391 HydrophobicContact CG-CG1 4.43Å; K387-I391 WeakPolarHBondContact O-CG1 3.45Å; K387-I391 PolarHBondContact O-N 3.48Å; I391-H393 VanDerWaalsContact C-N 3.27Å; I391-H393 PolarHBondContact O-N 3.23Å; I391-Q394 PolarHBondContact O-N 2.62Å
392	R	78.1	Confident	78.1	Confident	116 Å²	116	71.6 Å²	71.6	44%	0.438	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-36.1	173.3	179	175.9	57.6	149.6	-7.8	112.2	S388 E389 L390 T395 E414	S388-R392 WeakPolarHBondContact O-CB 3.48Å; S388-R392 PolarHBondContact O-N 3.37Å; S388-R392 VanDerWaalsContact O-N 3.15Å; E389-R392 PolarHBondContact O-N 3.25Å; E389-R392 IonicContact OE1-NH2 3.81Å; L390-R392 VanDerWaalsContact C-N 3.32Å; L390-R392 PolarHBondContact O-N 2.97Å; R392-T395 PolarHBondContact O-OG1 3.11Å; R392-E414 WeakPolarHBondContact CD-OE1 3.41Å; R392-E414 IonicContact CZ-OE1 3.02Å; R392-E414 IonicContact NE-OE1 3.85Å; R392-E414 IonicContact NH1-OE1 3.3Å; R392-E414 PolarHBondContact NH1-OE1 3.44Å
393	H	81.4	Confident	78.5	Confident	15 Å²	15	70.2 Å²	70.2	7%	0.069	36%	0.355	C	S	.	.	H	α-helix	trans	-69.3	-36.4	177.2	-179.8	48.8	0	0	0	113	C380 F384 E389 L390 I391 T395 I396 H397	C380-H393 PolarHBondContact SG-NE2 3.33Å; F384-H393 HydrophobicContact CE1-CB 4.13Å; F384-H393 HydrophobicContact CE2-CB 3.84Å; F384-H393 AromaticContact CE2-CD2 3.32Å; F384-H393 WeakPolarHBondContact CE2-CD2 3.16Å; F384-H393 AromaticContact CE2-CG 3.66Å; F384-H393 HydrophobicContact CZ-CB 3.55Å; F384-H393 AromaticContact CZ-CD2 3.34Å; F384-H393 WeakPolarHBondContact CZ-CD2 3.24Å; F384-H393 AromaticContact CZ-CG 3.29Å; F384-H393 AromaticContact CZ-ND1 3.96Å; E389-H393 VanDerWaalsContact O-CB 3.31Å; E389-H393 WeakPolarHBondContact O-CB 3.49Å; E389-H393 PolarHBondContact O-N 3.35Å; L390-H393 CarbonylContact O-C 3.56Å; L390-H393 WeakPolarHBondContact O-CA 3.24Å; L390-H393 WeakPolarHBondContact O-CB 3.29Å; L390-H393 PolarHBondContact O-N 2.92Å; I391-H393 VanDerWaalsContact C-N 3.27Å; I391-H393 PolarHBondContact O-N 3.23Å; H393-T395 PolarHBondContact O-N 2.85Å; H393-I396 WeakPolarHBondContact O-CB 3.29Å; H393-I396 VanDerWaalsContact O-CG1 3.31Å; H393-I396 WeakPolarHBondContact O-CG1 3.23Å; H393-I396 PolarHBondContact O-N 3.42Å; H393-H397 AromaticContact CE1-NE2 3.87Å; H393-H397 AromaticContact NE2-NE2 3.41Å; H393-H397 PolarHBondContact NE2-NE2 2.97Å
394	Q	78.6	Confident	78.6	Confident	63 Å²	63	73.9 Å²	73.9	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-28	179.6	-72.4	171.9	-69.9	0	0	112.6	L390 I391 I396 H397 T398	L390-Q394 HydrophobicContact CD1-CG 4.2Å; L390-Q394 WeakPolarHBondContact O-CG 3.23Å; L390-Q394 PolarHBondContact O-N 2.96Å; I391-Q394 PolarHBondContact O-N 2.62Å; Q394-I396 PolarHBondContact O-N 3.04Å; Q394-H397 PolarHBondContact O-N 3.24Å; Q394-T398 PolarHBondContact O-N 3.16Å; Q394-T398 PolarHBondContact O-OG1 3.41Å
395	T	79.9	Confident	78.8	Confident	16 Å²	16	72 Å²	72	10%	0.098	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-17.3	169.4	74.7	0	0	0	0	114.1	R392 H393 T398 G399 R413	R392-T395 PolarHBondContact O-OG1 3.11Å; H393-T395 PolarHBondContact O-N 2.85Å; T395-T398 WeakPolarHBondContact CA-OG1 3.32Å; T395-G399 PolarHBondContact O-N 3.18Å; T395-R413 PolarHBondContact O-NE 3.18Å; T395-R413 PolarHBondContact O-NH2 3.37Å
396	I	78.4	Confident	79.2	Confident	87 Å²	87	74.3 Å²	74.3	45%	0.446	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-39.6	172.6	-59	-168.9	0	0	0	111.3	H393 Q394 R413	H393-I396 WeakPolarHBondContact O-CB 3.29Å; H393-I396 VanDerWaalsContact O-CG1 3.31Å; H393-I396 WeakPolarHBondContact O-CG1 3.23Å; H393-I396 PolarHBondContact O-N 3.42Å; Q394-I396 PolarHBondContact O-N 3.04Å; I396-R413 PolarHBondContact O-NH2 3.14Å
397	H	77.1	Confident	79.5	Confident	80 Å²	80	75.6 Å²	75.6	37%	0.37	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-44.6	-176.2	-54	-57.2	0	0	0	112.2	D379 C380 H393 Q394 G399	D379-H397 HydrophobicContact CB-CB 4.3Å; D379-H397 IonicContact OD2-CD2 3.17Å; D379-H397 PolarHBondContact OD2-CD2 3.32Å; D379-H397 VanDerWaalsContact OD2-CD2 3.25Å; D379-H397 IonicContact OD2-CG 3.45Å; C380-H397 PolarHBondContact SG-NE2 2.85Å; H393-H397 AromaticContact CE1-NE2 3.87Å; H393-H397 AromaticContact NE2-NE2 3.41Å; H393-H397 PolarHBondContact NE2-NE2 2.97Å; Q394-H397 PolarHBondContact O-N 3.24Å; H397-G399 PolarHBondContact O-N 3.33Å
398	T	76.1	Confident	79.8	Confident	83 Å²	83	71.4 Å²	71.4	51%	0.509	37%	0.374	S	S	.	.	S	Bend	trans	-67.3	-14.7	175.4	63	0	0	0	0	113	Q394 T395 E400	Q394-T398 PolarHBondContact O-N 3.16Å; Q394-T398 PolarHBondContact O-OG1 3.41Å; T395-T398 WeakPolarHBondContact CA-OG1 3.32Å; T398-E400 WeakPolarHBondContact CB-OE2 3.36Å; T398-E400 PolarHBondContact O-N 3.26Å; T398-E400 VanDerWaalsContact O-N 3.14Å; T398-E400 VanDerWaalsContact OG1-CD 3.31Å; T398-E400 WeakPolarHBondContact OG1-CG 3.48Å; T398-E400 PolarHBondContact OG1-N 2.94Å; T398-E400 PolarHBondContact OG1-OE2 2.84Å
399	G	75.6	Confident	80.2	Confident	35 Å²	35	78.1 Å²	78.1	36%	0.361	39%	0.389	S	S	.	.			trans	76.6	-11.3	-177.7	0	0	0	0	0	114.5	T395 H397 K401	T395-G399 PolarHBondContact O-N 3.18Å; H397-G399 PolarHBondContact O-N 3.33Å; G399-K401 WeakPolarHBondContact O-CG 3.27Å
400	E	77.6	Confident	80.3	Confident	113 Å²	113	81 Å²	81	53%	0.528	40%	0.401	S	S	.	.			trans	-55.2	147	-174.9	-67.7	168.2	129.8	0	0	113.2	T398 R413	T398-E400 WeakPolarHBondContact CB-OE2 3.36Å; T398-E400 PolarHBondContact O-N 3.26Å; T398-E400 VanDerWaalsContact O-N 3.14Å; T398-E400 VanDerWaalsContact OG1-CD 3.31Å; T398-E400 WeakPolarHBondContact OG1-CG 3.48Å; T398-E400 PolarHBondContact OG1-N 2.94Å; T398-E400 PolarHBondContact OG1-OE2 2.84Å; E400-R413 WeakPolarHBondContact O-CG 3.45Å
401	K	81.1	Confident	80.4	Confident	115 Å²	115	81.8 Å²	81.8	50%	0.5	41%	0.41	S	S	.	.			trans	-141.3	77.2	-179.3	-59.2	-175.9	-158.4	159.8	0	109.8	G399 Y403 A411 F412 R413	G399-K401 WeakPolarHBondContact O-CG 3.27Å; K401-Y403 PolarHBondContact O-N 3.26Å; K401-A411 HydrophobicContact CB-CB 3.54Å; K401-A411 HydrophobicContact CD-CB 4.15Å; K401-A411 VanDerWaalsContact CD-O 3.23Å; K401-A411 WeakPolarHBondContact CD-O 3.46Å; K401-A411 HydrophobicContact CG-CB 4.48Å; K401-F412 CarbonylContact C-O 3.16Å; K401-F412 WeakPolarHBondContact CA-O 3.45Å; K401-R413 HydrophobicContact CG-CG 4.16Å
402	P	80.8	Confident	80.7	Confident	86 Å²	86	79.4 Å²	79.4	56%	0.558	40%	0.396	S	S	*	.			trans	-66.2	-0.2	-167.4	-23.7	35.7	0	0	0	116.6
403	Y	83.5	Confident	80.7	Confident	94 Å²	94	78.2 Å²	78.2	37%	0.369	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	90.2	-174.3	-55.2	-70.6	0	0	0	110.6	K401 F412 R415	K401-Y403 PolarHBondContact O-N 3.26Å; Y403-F412 PolarHBondContact N-O 3.02Å; Y403-F412 VanDerWaalsContact N-O 3.17Å; Y403-F412 PolarHBondContact O-N 3.16Å; Y403-R415 HydrophobicContact CD1-CB 3.93Å; Y403-R415 HydrophobicContact CD1-CG 4.35Å; Y403-R415 HydrophobicContact CD2-CB 4.47Å; Y403-R415 VanDerWaalsContact CD2-N 3.27Å; Y403-R415 HydrophobicContact CE1-CB 3.87Å; Y403-R415 HydrophobicContact CE1-CG 4.45Å; Y403-R415 HydrophobicContact CE2-CB 4.4Å; Y403-R415 HydrophobicContact CG-CB 4.23Å
404	E	83.7	Confident	80.5	Confident	111 Å²	111	80.6 Å²	80.6	52%	0.519	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.8	177.8	-165.4	174.8	149.5	0	0	113.1	R409 A411 L418	E404-R409 VanDerWaalsContact OE1-CA 3.27Å; E404-R409 WeakPolarHBondContact OE1-CA 3.31Å; E404-R409 WeakPolarHBondContact OE1-CB 3.35Å; E404-R409 WeakPolarHBondContact OE1-CG 3.5Å; E404-A411 HydrophobicContact CB-CB 4.43Å; E404-A411 HydrophobicContact CG-CB 4.45Å; E404-L418 WeakPolarHBondContact O-CD2 3.44Å
405	C	85.2	Confident	80.6	Confident	0 Å²	0	85.9 Å²	85.9	0%	0	42%	0.42	C	S	.	.			trans	-86.6	110.9	169.5	178.7	0	0	0	0	110.5	E407 C408 R409 K410 F412 L418 H425	C405-E407 PolarHBondContact O-N 2.87Å; C405-E407 VanDerWaalsContact O-N 3.16Å; C405-C408 PolarHBondContact O-N 3.37Å; C405-R409 VanDerWaalsContact O-CA 3.27Å; C405-R409 WeakPolarHBondContact O-CA 3.42Å; C405-R409 PolarHBondContact O-N 2.9Å; C405-K410 WeakPolarHBondContact CB-O 3.34Å; C405-K410 PolarHBondContact N-O 3.09Å; C405-F412 HydrophobicContact CB-CE2 4.48Å; C405-L418 HydrophobicContact CB-CD1 3.56Å; C405-H425 PolarHBondContact SG-NE2 3.07Å
406	S	83.4	Confident	80.5	Confident	97 Å²	97	87.6 Å²	87.6	68%	0.678	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-38.2	177.8	44.8	0	0	0	0	114.3
407	E	80.9	Confident	80.7	Confident	108 Å²	108	85.7 Å²	85.7	51%	0.505	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-28.7	-173.5	-66.5	158.7	-124.4	0	0	114.2	C405 H425	C405-E407 PolarHBondContact O-N 2.87Å; C405-E407 VanDerWaalsContact O-N 3.16Å; E407-H425 WeakPolarHBondContact OE2-CB 3.34Å; E407-H425 IonicContact OE2-CD2 3.49Å; E407-H425 PolarHBondContact OE2-CD2 3.41Å; E407-H425 IonicContact OE2-CG 3.99Å; E407-H425 VanDerWaalsContact OE2-CG 3.27Å
408	C	83.3	Confident	81.1	Confident	44 Å²	44	82.8 Å²	82.8	30%	0.297	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	11.6	-174.6	74.2	0	0	0	0	115.2	C405 K410 H421 H425	C405-C408 PolarHBondContact O-N 3.37Å; C408-K410 PolarHBondContact O-N 3.25Å; C408-H421 PolarHBondContact SG-NE2 3.07Å; C408-H425 PolarHBondContact SG-NE2 3.5Å; C408-H425 VanDerWaalsContact SG-NE2 3.36Å
409	R	82.3	Confident	81.4	Confident	204 Å²	204	82 Å²	82	77%	0.77	41%	0.407	S	S	*	.			trans	54.1	20.8	177.6	-55.4	-170.4	-174.2	165.5	1.3	115.6	E404 C405 A411	E404-R409 VanDerWaalsContact OE1-CA 3.27Å; E404-R409 WeakPolarHBondContact OE1-CA 3.31Å; E404-R409 WeakPolarHBondContact OE1-CB 3.35Å; E404-R409 WeakPolarHBondContact OE1-CG 3.5Å; C405-R409 VanDerWaalsContact O-CA 3.27Å; C405-R409 WeakPolarHBondContact O-CA 3.42Å; C405-R409 PolarHBondContact O-N 2.9Å; R409-A411 PolarHBondContact O-N 2.84Å
410	K	79.1	Confident	81.7	Confident	119 Å²	119	82.7 Å²	82.7	52%	0.517	40%	0.402	S	S	.	.			trans	-78.6	118.5	172.9	-72.9	175.9	-174	162.3	0	109.3	C405 C408 F412	C405-K410 WeakPolarHBondContact CB-O 3.34Å; C405-K410 PolarHBondContact N-O 3.09Å; C408-K410 PolarHBondContact O-N 3.25Å; K410-F412 HydrophobicContact CB-CE2 3.79Å; K410-F412 HydrophobicContact CB-CZ 4.06Å; K410-F412 WeakPolarHBondContact O-CD2 3.48Å; K410-F412 WeakPolarHBondContact O-CE2 3.36Å
411	A	84.8	Confident	82	Confident	35 Å²	35	78.4 Å²	78.4	29%	0.289	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.6	178.4	0	0	0	0	0	112.7	K401 E404 R409	K401-A411 HydrophobicContact CB-CB 3.54Å; K401-A411 HydrophobicContact CD-CB 4.15Å; K401-A411 VanDerWaalsContact CD-O 3.23Å; K401-A411 WeakPolarHBondContact CD-O 3.46Å; K401-A411 HydrophobicContact CG-CB 4.48Å; E404-A411 HydrophobicContact CB-CB 4.43Å; E404-A411 HydrophobicContact CG-CB 4.45Å; R409-A411 PolarHBondContact O-N 2.84Å
412	F	83.8	Confident	82	Confident	47 Å²	47	75.8 Å²	75.8	21%	0.206	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151.8	-176.1	-62.4	-91.4	0	0	0	112.3	K401 Y403 C405 K410 L418 H421	K401-F412 CarbonylContact C-O 3.16Å; K401-F412 WeakPolarHBondContact CA-O 3.45Å; Y403-F412 PolarHBondContact N-O 3.02Å; Y403-F412 VanDerWaalsContact N-O 3.17Å; Y403-F412 PolarHBondContact O-N 3.16Å; C405-F412 HydrophobicContact CB-CE2 4.48Å; K410-F412 HydrophobicContact CB-CE2 3.79Å; K410-F412 HydrophobicContact CB-CZ 4.06Å; K410-F412 WeakPolarHBondContact O-CD2 3.48Å; K410-F412 WeakPolarHBondContact O-CE2 3.36Å; F412-L418 HydrophobicContact CB-CB 4.36Å; F412-L418 HydrophobicContact CD2-CB 4.1Å; F412-L418 HydrophobicContact CD2-CD1 4.03Å; F412-L418 HydrophobicContact CE2-CD1 4.3Å; F412-L418 HydrophobicContact CG-CB 4.39Å; F412-H421 HydrophobicContact CE1-CB 4.07Å; F412-H421 HydrophobicContact CE2-CB 3.97Å; F412-H421 AromaticContact CE2-CD2 3.27Å; F412-H421 WeakPolarHBondContact CE2-CD2 3.44Å; F412-H421 AromaticContact CE2-CG 3.8Å; F412-H421 HydrophobicContact CZ-CB 3.54Å; F412-H421 AromaticContact CZ-CD2 3.29Å; F412-H421 WeakPolarHBondContact CZ-CD2 3.41Å; F412-H421 AromaticContact CZ-CG 3.38Å
413	R	78.3	Confident	82.2	Confident	91 Å²	91	74.2 Å²	74.2	34%	0.343	35%	0.354	S	S	.	.	S	Bend	trans	-78.5	-19.7	176.2	-72.6	178.7	172.1	152.1	-5.7	114.2	T395 I396 E400 K401	T395-R413 PolarHBondContact O-NE 3.18Å; T395-R413 PolarHBondContact O-NH2 3.37Å; I396-R413 PolarHBondContact O-NH2 3.14Å; E400-R413 WeakPolarHBondContact O-CG 3.45Å; K401-R413 HydrophobicContact CG-CG 4.16Å
414	E	78	Confident	82.1	Confident	64 Å²	64	74 Å²	74	30%	0.299	36%	0.362	S	S	.	.	S	Bend	trans	-132.9	139.9	178.5	-55.8	-170.4	158.1	0	0	111.4	R392 S416 S417 L418	R392-E414 WeakPolarHBondContact CD-OE1 3.41Å; R392-E414 IonicContact CZ-OE1 3.02Å; R392-E414 IonicContact NE-OE1 3.85Å; R392-E414 IonicContact NH1-OE1 3.3Å; R392-E414 PolarHBondContact NH1-OE1 3.44Å; E414-S416 WeakPolarHBondContact CB-OG 3.42Å; E414-S416 PolarHBondContact O-N 3.25Å; E414-S416 PolarHBondContact OE2-OG 2.88Å; E414-S417 WeakPolarHBondContact O-CB 3.28Å; E414-S417 PolarHBondContact O-N 3.03Å; E414-L418 PolarHBondContact O-N 2.89Å; E414-L418 VanDerWaalsContact O-N 3.13Å
415	R	79.9	Confident	81.8	Confident	174 Å²	174	72.3 Å²	72.3	66%	0.657	36%	0.355	S	S	*	.	H	α-helix	trans	-58	-33.6	173	-169.8	-179.8	179.8	-174	1.9	112.7	Y403 S417 L418 I419	Y403-R415 HydrophobicContact CD1-CB 3.93Å; Y403-R415 HydrophobicContact CD1-CG 4.35Å; Y403-R415 HydrophobicContact CD2-CB 4.47Å; Y403-R415 VanDerWaalsContact CD2-N 3.27Å; Y403-R415 HydrophobicContact CE1-CB 3.87Å; Y403-R415 HydrophobicContact CE1-CG 4.45Å; Y403-R415 HydrophobicContact CE2-CB 4.4Å; Y403-R415 HydrophobicContact CG-CB 4.23Å; R415-S417 VanDerWaalsContact C-N 3.29Å; R415-S417 PolarHBondContact O-N 2.89Å; R415-L418 PolarHBondContact O-N 3.06Å; R415-I419 HydrophobicContact CG-CD1 4.02Å; R415-I419 VanDerWaalsContact O-CG1 3.31Å; R415-I419 WeakPolarHBondContact O-CG1 3.39Å; R415-I419 PolarHBondContact O-N 3.11Å
416	S	77.9	Confident	81.6	Confident	52 Å²	52	76.1 Å²	76.1	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-55.6	-41.3	171.1	54.5	0	0	0	0	112.4	E414 N420	E414-S416 WeakPolarHBondContact CB-OG 3.42Å; E414-S416 PolarHBondContact O-N 3.25Å; E414-S416 PolarHBondContact OE2-OG 2.88Å; S416-N420 WeakPolarHBondContact O-CB 3.45Å; S416-N420 VanDerWaalsContact O-CG 3.29Å; S416-N420 PolarHBondContact O-N 2.99Å; S416-N420 PolarHBondContact O-ND2 3.26Å
417	S	83.5	Confident	81.4	Confident	48 Å²	48	73.4 Å²	73.4	34%	0.336	37%	0.365	S	S	.	.	H	α-helix	trans	-76.3	-38.1	-178.7	-64.6	0	0	0	0	111.4	E414 R415 N420 H421	E414-S417 WeakPolarHBondContact O-CB 3.28Å; E414-S417 PolarHBondContact O-N 3.03Å; R415-S417 VanDerWaalsContact C-N 3.29Å; R415-S417 PolarHBondContact O-N 2.89Å; S417-N420 PolarHBondContact O-N 3.4Å; S417-H421 WeakPolarHBondContact O-CB 3.47Å; S417-H421 PolarHBondContact O-N 2.89Å
418	L	84.9	Confident	81.4	Confident	19 Å²	19	73 Å²	73	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-59.9	-50.9	170.7	173.2	59.2	0	0	0	111.5	E404 C405 F412 E414 R415 N420 H421 Q422	E404-L418 WeakPolarHBondContact O-CD2 3.44Å; C405-L418 HydrophobicContact CB-CD1 3.56Å; F412-L418 HydrophobicContact CB-CB 4.36Å; F412-L418 HydrophobicContact CD2-CB 4.1Å; F412-L418 HydrophobicContact CD2-CD1 4.03Å; F412-L418 HydrophobicContact CE2-CD1 4.3Å; F412-L418 HydrophobicContact CG-CB 4.39Å; E414-L418 PolarHBondContact O-N 2.89Å; E414-L418 VanDerWaalsContact O-N 3.13Å; R415-L418 PolarHBondContact O-N 3.06Å; L418-N420 VanDerWaalsContact C-N 3.34Å; L418-N420 PolarHBondContact O-N 3.45Å; L418-H421 CarbonylContact O-C 3.59Å; L418-H421 WeakPolarHBondContact O-CA 3.35Å; L418-H421 WeakPolarHBondContact O-CB 3.5Å; L418-H421 PolarHBondContact O-N 3.37Å; L418-Q422 HydrophobicContact CD1-CG 4.01Å; L418-Q422 HydrophobicContact CG-CG 4.46Å; L418-Q422 PolarHBondContact O-N 3.22Å
419	I	82.4	Confident	81.4	Confident	67 Å²	67	76.9 Å²	76.9	34%	0.344	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-44	179.1	-68.5	164.9	0	0	0	111	R415 H421 Q422 R423	R415-I419 HydrophobicContact CG-CD1 4.02Å; R415-I419 VanDerWaalsContact O-CG1 3.31Å; R415-I419 WeakPolarHBondContact O-CG1 3.39Å; R415-I419 PolarHBondContact O-N 3.11Å; I419-H421 PolarHBondContact O-N 3.37Å; I419-Q422 PolarHBondContact O-N 3.26Å; I419-R423 WeakPolarHBondContact O-CG 3.45Å; I419-R423 PolarHBondContact O-N 3.31Å
420	N	80.8	Confident	81.4	Confident	48 Å²	48	70.5 Å²	70.5	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-21.8	175.1	-77.9	-41.6	0	0	0	113.5	S416 S417 L418	S416-N420 WeakPolarHBondContact O-CB 3.45Å; S416-N420 VanDerWaalsContact O-CG 3.29Å; S416-N420 PolarHBondContact O-N 2.99Å; S416-N420 PolarHBondContact O-ND2 3.26Å; S417-N420 PolarHBondContact O-N 3.4Å; L418-N420 VanDerWaalsContact C-N 3.34Å; L418-N420 PolarHBondContact O-N 3.45Å
421	H	83.8	Confident	81.7	Confident	24 Å²	24	67.2 Å²	67.2	11%	0.111	35%	0.346	C	S	.	.	H	α-helix	trans	-86.6	-38.3	174.5	173.5	47.5	0	0	0	112.9	C408 F412 S417 L418 I419 R423 T424 H425	C408-H421 PolarHBondContact SG-NE2 3.07Å; F412-H421 HydrophobicContact CE1-CB 4.07Å; F412-H421 HydrophobicContact CE2-CB 3.97Å; F412-H421 AromaticContact CE2-CD2 3.27Å; F412-H421 WeakPolarHBondContact CE2-CD2 3.44Å; F412-H421 AromaticContact CE2-CG 3.8Å; F412-H421 HydrophobicContact CZ-CB 3.54Å; F412-H421 AromaticContact CZ-CD2 3.29Å; F412-H421 WeakPolarHBondContact CZ-CD2 3.41Å; F412-H421 AromaticContact CZ-CG 3.38Å; S417-H421 WeakPolarHBondContact O-CB 3.47Å; S417-H421 PolarHBondContact O-N 2.89Å; L418-H421 CarbonylContact O-C 3.59Å; L418-H421 WeakPolarHBondContact O-CA 3.35Å; L418-H421 WeakPolarHBondContact O-CB 3.5Å; L418-H421 PolarHBondContact O-N 3.37Å; I419-H421 PolarHBondContact O-N 3.37Å; H421-R423 PolarHBondContact O-N 2.8Å; H421-T424 PolarHBondContact CE1-OG1 3.16Å; H421-T424 PolarHBondContact ND1-OG1 2.9Å; H421-T424 WeakPolarHBondContact O-CA 3.18Å; H421-T424 WeakPolarHBondContact O-CB 3.26Å; H421-T424 PolarHBondContact O-N 3.14Å; H421-T424 PolarHBondContact O-OG1 3.45Å; H421-H425 AromaticContact CE1-CE1 3.54Å; H421-H425 AromaticContact CE1-NE2 3.39Å; H421-H425 PolarHBondContact CE1-NE2 3.17Å; H421-H425 AromaticContact NE2-CE1 3.76Å; H421-H425 AromaticContact NE2-NE2 3.23Å; H421-H425 PolarHBondContact NE2-NE2 3.12Å
422	Q	81.2	Confident	81.5	Confident	60 Å²	60	67.6 Å²	67.6	28%	0.28	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-35.1	175.8	-70.8	172.7	-70.4	0	0	111.6	L418 I419 T424 H425 T426	L418-Q422 HydrophobicContact CD1-CG 4.01Å; L418-Q422 HydrophobicContact CG-CG 4.46Å; L418-Q422 PolarHBondContact O-N 3.22Å; I419-Q422 PolarHBondContact O-N 3.26Å; Q422-T424 PolarHBondContact O-N 2.97Å; Q422-H425 PolarHBondContact O-N 2.63Å; Q422-T426 PolarHBondContact O-N 2.7Å; Q422-T426 VanDerWaalsContact O-N 3.09Å
423	R	84.9	Confident	81.5	Confident	53 Å²	53	65.5 Å²	65.5	20%	0.2	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.4	169.3	-65.5	-177.3	178.6	155.6	6.7	115.6	I419 H421 G427 E428 S441	I419-R423 WeakPolarHBondContact O-CG 3.45Å; I419-R423 PolarHBondContact O-N 3.31Å; H421-R423 PolarHBondContact O-N 2.8Å; R423-G427 CarbonylContact O-C 3.12Å; R423-G427 WeakPolarHBondContact O-CA 3.46Å; R423-G427 PolarHBondContact O-N 3.27Å; R423-E428 HydrophobicContact CB-CB 4.14Å; R423-E428 HydrophobicContact CG-CB 3.83Å; R423-E428 IonicContact NE-OE2 2.9Å; R423-E428 PolarHBondContact O-N 3.21Å; R423-S441 PolarHBondContact NH1-O 2.99Å
424	T	81.5	Confident	81.6	Confident	88 Å²	88	69.4 Å²	69.4	54%	0.54	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-17.8	173.4	67.3	0	0	0	0	113	H421 Q422	H421-T424 PolarHBondContact CE1-OG1 3.16Å; H421-T424 PolarHBondContact ND1-OG1 2.9Å; H421-T424 WeakPolarHBondContact O-CA 3.18Å; H421-T424 WeakPolarHBondContact O-CB 3.26Å; H421-T424 PolarHBondContact O-N 3.14Å; H421-T424 PolarHBondContact O-OG1 3.45Å; Q422-T424 PolarHBondContact O-N 2.97Å
425	H	78.9	Confident	81.5	Confident	77 Å²	77	72 Å²	72	36%	0.356	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-49.5	172.4	-51.2	-49.7	0	0	0	110.9	C405 E407 C408 H421 Q422 G427	C405-H425 PolarHBondContact SG-NE2 3.07Å; E407-H425 WeakPolarHBondContact OE2-CB 3.34Å; E407-H425 IonicContact OE2-CD2 3.49Å; E407-H425 PolarHBondContact OE2-CD2 3.41Å; E407-H425 IonicContact OE2-CG 3.99Å; E407-H425 VanDerWaalsContact OE2-CG 3.27Å; C408-H425 PolarHBondContact SG-NE2 3.5Å; C408-H425 VanDerWaalsContact SG-NE2 3.36Å; H421-H425 AromaticContact CE1-CE1 3.54Å; H421-H425 AromaticContact CE1-NE2 3.39Å; H421-H425 PolarHBondContact CE1-NE2 3.17Å; H421-H425 AromaticContact NE2-CE1 3.76Å; H421-H425 AromaticContact NE2-NE2 3.23Å; H421-H425 PolarHBondContact NE2-NE2 3.12Å; Q422-H425 PolarHBondContact O-N 2.63Å; H425-G427 PolarHBondContact O-N 2.89Å
426	T	79.7	Confident	81.5	Confident	80 Å²	80	66.1 Å²	66.1	49%	0.491	37%	0.368	S	S	.	.	S	Bend	trans	-71	-12	177.3	67	0	0	0	0	113.8	Q422 E428	Q422-T426 PolarHBondContact O-N 2.7Å; Q422-T426 VanDerWaalsContact O-N 3.09Å; T426-E428 PolarHBondContact O-N 3.22Å; T426-E428 VanDerWaalsContact O-N 3.16Å; T426-E428 WeakPolarHBondContact OG1-CB 3.32Å; T426-E428 WeakPolarHBondContact OG1-CG 3.31Å
427	G	80.1	Confident	81.6	Confident	39 Å²	39	66.8 Å²	66.8	40%	0.402	38%	0.384	S	S	.	.			trans	71.4	0.6	-177.3	0	0	0	0	0	115.1	R423 H425 K429	R423-G427 CarbonylContact O-C 3.12Å; R423-G427 WeakPolarHBondContact O-CA 3.46Å; R423-G427 PolarHBondContact O-N 3.27Å; H425-G427 PolarHBondContact O-N 2.89Å; G427-K429 WeakPolarHBondContact O-CG 3.34Å; G427-K429 PolarHBondContact O-N 3.36Å
428	E	79.6	Confident	81.5	Confident	99 Å²	99	70.6 Å²	70.6	46%	0.463	39%	0.394	S	S	.	.			trans	-51.2	127.9	-176.6	-93.5	-179.6	-139.6	0	0	113.7	R423 T426 S441	R423-E428 HydrophobicContact CB-CB 4.14Å; R423-E428 HydrophobicContact CG-CB 3.83Å; R423-E428 IonicContact NE-OE2 2.9Å; R423-E428 PolarHBondContact O-N 3.21Å; T426-E428 PolarHBondContact O-N 3.22Å; T426-E428 VanDerWaalsContact O-N 3.16Å; T426-E428 WeakPolarHBondContact OG1-CB 3.32Å; T426-E428 WeakPolarHBondContact OG1-CG 3.31Å; E428-S441 WeakPolarHBondContact O-CB 3.47Å
429	K	83.8	Confident	81.5	Confident	126 Å²	126	71.7 Å²	71.7	55%	0.548	41%	0.406	S	S	.	.			trans	-130.7	73.5	178.7	-72.6	152.9	-173.9	166	0	111	G427 H431 A439 F440	G427-K429 WeakPolarHBondContact O-CG 3.34Å; G427-K429 PolarHBondContact O-N 3.36Å; K429-H431 PolarHBondContact O-N 2.85Å; K429-A439 HydrophobicContact CB-CB 3.57Å; K429-A439 HydrophobicContact CD-CB 4.42Å; K429-A439 WeakPolarHBondContact CD-O 3.37Å; K429-A439 HydrophobicContact CG-CB 4.48Å; K429-F440 CarbonylContact C-O 3.5Å; K429-F440 VanDerWaalsContact C-O 3.26Å; K429-F440 WeakPolarHBondContact CA-O 3.43Å
430	P	82.8	Confident	81.6	Confident	70 Å²	70	70.9 Å²	70.9	46%	0.455	40%	0.4	S	S	.	.			trans	-68.3	1.2	-172.4	-21	35.2	0	0	0	115.7
431	H	85.2	Confident	81.7	Confident	50 Å²	50	70 Å²	70	23%	0.231	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	84.3	-174.3	-54.2	-56.3	0	0	0	110.4	K429 A439 F440 K443 L446	K429-H431 PolarHBondContact O-N 2.85Å; H431-A439 WeakPolarHBondContact O-CA 3.31Å; H431-F440 WeakPolarHBondContact CB-O 3.46Å; H431-F440 PolarHBondContact N-O 3.15Å; H431-F440 VanDerWaalsContact N-O 3.13Å; H431-F440 PolarHBondContact O-N 3.47Å; H431-K443 PolarHBondContact CD2-N 2.65Å; H431-K443 PolarHBondContact NE2-N 3.27Å; H431-L446 HydrophobicContact CB-CB 3.99Å; H431-L446 HydrophobicContact CB-CD2 3.78Å; H431-L446 HydrophobicContact CB-CG 4.49Å
432	G	80.1	Confident	81.7	Confident	44 Å²	44	71.6 Å²	71.6	45%	0.454	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.4	176.6	0	0	0	0	0	113.7	L446	G432-L446 WeakPolarHBondContact O-CD2 3.3Å
433	C	85.4	Confident	81.6	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.014	42%	0.42	C	S	.	.			trans	-94.8	107	170.2	-173.9	0	0	0	0	110.4	Q435 C436 G437 K438 F440 L446 H453	C433-Q435 PolarHBondContact O-N 2.98Å; C433-C436 PolarHBondContact O-N 3.39Å; C433-C436 VanDerWaalsContact O-N 3.17Å; C433-G437 WeakPolarHBondContact O-CA 3.4Å; C433-G437 PolarHBondContact O-N 2.97Å; C433-K438 WeakPolarHBondContact CB-O 3.33Å; C433-K438 PolarHBondContact N-O 2.83Å; C433-F440 HydrophobicContact CB-CE2 4.43Å; C433-L446 HydrophobicContact CB-CD1 3.54Å; C433-H453 VanDerWaalsContact SG-CD2 3.6Å; C433-H453 PolarHBondContact SG-NE2 3.35Å; C433-H453 VanDerWaalsContact SG-NE2 3.38Å
434	I	79.1	Confident	81.3	Confident	173 Å²	173	75.9 Å²	75.9	89%	0.887	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-40	-176.9	-56.8	173.2	0	0	0	111.6	C436	I434-C436 VanDerWaalsContact C-N 3.28Å; I434-C436 PolarHBondContact O-N 3.34Å
435	Q	76.7	Confident	81.3	Confident	118 Å²	118	75.3 Å²	75.3	55%	0.551	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.1	-176.1	-69.7	169.5	-51.7	0	0	115.4	C433 H453	C433-Q435 PolarHBondContact O-N 2.98Å; Q435-H453 PolarHBondContact OE1-CD2 2.77Å; Q435-H453 VanDerWaalsContact OE1-CD2 3.3Å
436	C	79.4	Confident	81.6	Confident	51 Å²	51	72.5 Å²	72.5	35%	0.345	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157	18	-177.9	76.6	0	0	0	0	115.4	C433 I434 K438 H449 H453	C433-C436 PolarHBondContact O-N 3.39Å; C433-C436 VanDerWaalsContact O-N 3.17Å; I434-C436 VanDerWaalsContact C-N 3.28Å; I434-C436 PolarHBondContact O-N 3.34Å; C436-K438 PolarHBondContact O-N 3.34Å; C436-H449 PolarHBondContact SG-NE2 3.5Å; C436-H453 VanDerWaalsContact SG-CE1 3.5Å; C436-H453 PolarHBondContact SG-NE2 3.4Å; C436-H453 VanDerWaalsContact SG-NE2 3.37Å
437	G	79.4	Confident	81.6	Confident	67 Å²	67	72.6 Å²	72.6	69%	0.691	41%	0.408	S	S	*	.			trans	66.6	-11.6	179.9	0	0	0	0	0	117	C433 A439	C433-G437 WeakPolarHBondContact O-CA 3.4Å; C433-G437 PolarHBondContact O-N 2.97Å; G437-A439 PolarHBondContact O-N 3.46Å
438	K	81.1	Confident	81.4	Confident	127 Å²	127	71.6 Å²	71.6	55%	0.552	39%	0.394	S	S	*	.			trans	-66.9	122.4	-174.1	-71.1	176.1	-176	168.4	0	111	C433 C436 F440	C433-K438 WeakPolarHBondContact CB-O 3.33Å; C433-K438 PolarHBondContact N-O 2.83Å; C436-K438 PolarHBondContact O-N 3.34Å; K438-F440 HydrophobicContact CB-CE2 3.96Å; K438-F440 HydrophobicContact CB-CZ 4.15Å; K438-F440 VanDerWaalsContact O-CE2 3.25Å; K438-F440 WeakPolarHBondContact O-CE2 3.32Å
439	A	85.4	Confident	81.5	Confident	42 Å²	42	68 Å²	68	35%	0.347	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.8	-177.3	0	0	0	0	0	112.7	K429 H431 G437	K429-A439 HydrophobicContact CB-CB 3.57Å; K429-A439 HydrophobicContact CD-CB 4.42Å; K429-A439 WeakPolarHBondContact CD-O 3.37Å; K429-A439 HydrophobicContact CG-CB 4.48Å; H431-A439 WeakPolarHBondContact O-CA 3.31Å; G437-A439 PolarHBondContact O-N 3.46Å
440	F	85.5	Confident	81.2	Confident	50 Å²	50	65.7 Å²	65.7	22%	0.219	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.6	-174.1	-59.3	-92.7	0	0	0	112	K429 H431 C433 K438 Q442 H445 L446 H449	K429-F440 CarbonylContact C-O 3.5Å; K429-F440 VanDerWaalsContact C-O 3.26Å; K429-F440 WeakPolarHBondContact CA-O 3.43Å; H431-F440 WeakPolarHBondContact CB-O 3.46Å; H431-F440 PolarHBondContact N-O 3.15Å; H431-F440 VanDerWaalsContact N-O 3.13Å; H431-F440 PolarHBondContact O-N 3.47Å; C433-F440 HydrophobicContact CB-CE2 4.43Å; K438-F440 HydrophobicContact CB-CE2 3.96Å; K438-F440 HydrophobicContact CB-CZ 4.15Å; K438-F440 VanDerWaalsContact O-CE2 3.25Å; K438-F440 WeakPolarHBondContact O-CE2 3.32Å; F440-Q442 VanDerWaalsContact C-N 3.29Å; F440-Q442 PolarHBondContact O-N 3.36Å; F440-H445 HydrophobicContact CB-CB 4.18Å; F440-H445 HydrophobicContact CD1-CB 3.82Å; F440-H445 HydrophobicContact CG-CB 4.24Å; F440-L446 HydrophobicContact CB-CB 4.39Å; F440-L446 HydrophobicContact CD2-CB 4.06Å; F440-L446 HydrophobicContact CD2-CD1 4.02Å; F440-L446 HydrophobicContact CE2-CD1 4.29Å; F440-L446 HydrophobicContact CG-CB 4.42Å; F440-H449 HydrophobicContact CE1-CB 4.24Å; F440-H449 HydrophobicContact CE2-CB 3.99Å; F440-H449 AromaticContact CE2-CD2 3.29Å; F440-H449 WeakPolarHBondContact CE2-CD2 3.25Å; F440-H449 AromaticContact CE2-CG 3.81Å; F440-H449 HydrophobicContact CZ-CB 3.63Å; F440-H449 AromaticContact CZ-CD2 3.35Å; F440-H449 WeakPolarHBondContact CZ-CD2 3.41Å; F440-H449 AromaticContact CZ-CG 3.45Å; F440-H449 VanDerWaalsContact CZ-CG 3.45Å
441	S	83.2	Confident	81.1	Confident	30 Å²	30	64 Å²	64	21%	0.21	36%	0.355	C	S	.	.	S	Bend	trans	-76.7	-11.1	176.8	55.9	0	0	0	0	114.2	R423 E428	R423-S441 PolarHBondContact NH1-O 2.99Å; E428-S441 WeakPolarHBondContact O-CB 3.47Å
442	Q	82.4	Confident	80.6	Confident	57 Å²	57	65.9 Å²	65.9	27%	0.266	37%	0.37	S	S	.	.	S	Bend	trans	-138.8	136	179.1	-57.1	-177.8	11	0	0	111.8	F440 S444 H445 L446	F440-Q442 VanDerWaalsContact C-N 3.29Å; F440-Q442 PolarHBondContact O-N 3.36Å; Q442-S444 VanDerWaalsContact C-N 3.26Å; Q442-S444 WeakPolarHBondContact CB-OG 3.36Å; Q442-S444 PolarHBondContact O-N 3.16Å; Q442-S444 PolarHBondContact OE1-OG 3.01Å; Q442-H445 PolarHBondContact O-N 2.82Å; Q442-H445 PolarHBondContact OE1-CE1 2.9Å; Q442-L446 PolarHBondContact O-N 3.14Å
443	K	79.3	Confident	80.3	Confident	138 Å²	138	67.1 Å²	67.1	60%	0.6	36%	0.364	S	S	*	.	H	α-helix	trans	-60.4	-32.5	179.3	-173.8	173.8	179.7	174.9	0	113.1	H431 H445 L446 I447	H431-K443 PolarHBondContact CD2-N 2.65Å; H431-K443 PolarHBondContact NE2-N 3.27Å; K443-H445 VanDerWaalsContact C-N 3.3Å; K443-H445 PolarHBondContact O-N 2.86Å; K443-L446 PolarHBondContact O-N 2.88Å; K443-I447 HydrophobicContact CG-CD1 3.98Å; K443-I447 HydrophobicContact CG-CG1 4.37Å; K443-I447 WeakPolarHBondContact O-CG1 3.31Å; K443-I447 PolarHBondContact O-N 3.13Å
444	S	78.6	Confident	79.7	Confident	65 Å²	65	70.5 Å²	70.5	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-58.3	-38.6	173.1	49	0	0	0	0	113.1	Q442 S448	Q442-S444 VanDerWaalsContact C-N 3.26Å; Q442-S444 WeakPolarHBondContact CB-OG 3.36Å; Q442-S444 PolarHBondContact O-N 3.16Å; Q442-S444 PolarHBondContact OE1-OG 3.01Å; S444-S448 WeakPolarHBondContact O-CB 3.43Å; S444-S448 PolarHBondContact O-N 3.24Å; S444-S448 VanDerWaalsContact O-N 3.11Å
445	H	82.6	Confident	79.4	Confident	76 Å²	76	64 Å²	64	35%	0.352	36%	0.36	S	S	.	.	H	α-helix	trans	-75.2	-38	177.2	-64.1	148.8	0	0	0	112	F440 Q442 K443 H449	F440-H445 HydrophobicContact CB-CB 4.18Å; F440-H445 HydrophobicContact CD1-CB 3.82Å; F440-H445 HydrophobicContact CG-CB 4.24Å; Q442-H445 PolarHBondContact O-N 2.82Å; Q442-H445 PolarHBondContact OE1-CE1 2.9Å; K443-H445 VanDerWaalsContact C-N 3.3Å; K443-H445 PolarHBondContact O-N 2.86Å; H445-H449 WeakPolarHBondContact O-CB 3.45Å; H445-H449 PolarHBondContact O-N 2.82Å
446	L	84	Confident	79.3	Confident	19 Å²	19	63.1 Å²	63.1	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-59.8	-52.7	171.3	173.1	61.2	0	0	0	111.3	H431 G432 C433 F440 Q442 K443 S448 H449 Q450	H431-L446 HydrophobicContact CB-CB 3.99Å; H431-L446 HydrophobicContact CB-CD2 3.78Å; H431-L446 HydrophobicContact CB-CG 4.49Å; G432-L446 WeakPolarHBondContact O-CD2 3.3Å; C433-L446 HydrophobicContact CB-CD1 3.54Å; F440-L446 HydrophobicContact CB-CB 4.39Å; F440-L446 HydrophobicContact CD2-CB 4.06Å; F440-L446 HydrophobicContact CD2-CD1 4.02Å; F440-L446 HydrophobicContact CE2-CD1 4.29Å; F440-L446 HydrophobicContact CG-CB 4.42Å; Q442-L446 PolarHBondContact O-N 3.14Å; K443-L446 PolarHBondContact O-N 2.88Å; L446-S448 VanDerWaalsContact C-N 3.33Å; L446-S448 PolarHBondContact O-N 3.41Å; L446-H449 CarbonylContact O-C 3.56Å; L446-H449 WeakPolarHBondContact O-CA 3.43Å; L446-H449 WeakPolarHBondContact O-CB 3.33Å; L446-H449 PolarHBondContact O-N 3.34Å; L446-Q450 HydrophobicContact CD1-CG 4.08Å; L446-Q450 HydrophobicContact CG-CG 4.43Å; L446-Q450 WeakPolarHBondContact O-CG 3.34Å; L446-Q450 PolarHBondContact O-N 2.98Å
447	I	80.1	Confident	79.3	Confident	82 Å²	82	66.2 Å²	66.2	42%	0.421	36%	0.364	S	S	.	.	H	α-helix	trans	-56.3	-49.5	179.2	-68.1	165.5	0	0	0	110.1	K443 H449 Q450 M451	K443-I447 HydrophobicContact CG-CD1 3.98Å; K443-I447 HydrophobicContact CG-CG1 4.37Å; K443-I447 WeakPolarHBondContact O-CG1 3.31Å; K443-I447 PolarHBondContact O-N 3.13Å; I447-H449 PolarHBondContact O-N 3.2Å; I447-H449 VanDerWaalsContact O-N 3.11Å; I447-Q450 PolarHBondContact O-N 3.31Å; I447-Q450 VanDerWaalsContact O-N 3.12Å; I447-M451 VanDerWaalsContact O-CG 3.3Å; I447-M451 WeakPolarHBondContact O-CG 3.44Å; I447-M451 PolarHBondContact O-N 2.63Å
448	S	75.9	Confident	79.3	Confident	18 Å²	18	66.8 Å²	66.8	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-19.3	177	177	0	0	0	0	114.4	S444 L446 R470	S444-S448 WeakPolarHBondContact O-CB 3.43Å; S444-S448 PolarHBondContact O-N 3.24Å; S444-S448 VanDerWaalsContact O-N 3.11Å; L446-S448 VanDerWaalsContact C-N 3.33Å; L446-S448 PolarHBondContact O-N 3.41Å; S448-R470 VanDerWaalsContact OG-CZ 3.26Å; S448-R470 PolarHBondContact OG-NE 2.99Å; S448-R470 PolarHBondContact OG-NH2 3.48Å
449	H	81.2	Confident	79.4	Confident	24 Å²	24	64.1 Å²	64.1	11%	0.111	34%	0.344	C	S	.	.	H	α-helix	trans	-89.7	-32.6	174.9	172.4	49.9	0	0	0	112.2	C436 F440 H445 L446 I447 M451 T452 H453	C436-H449 PolarHBondContact SG-NE2 3.5Å; F440-H449 HydrophobicContact CE1-CB 4.24Å; F440-H449 HydrophobicContact CE2-CB 3.99Å; F440-H449 AromaticContact CE2-CD2 3.29Å; F440-H449 WeakPolarHBondContact CE2-CD2 3.25Å; F440-H449 AromaticContact CE2-CG 3.81Å; F440-H449 HydrophobicContact CZ-CB 3.63Å; F440-H449 AromaticContact CZ-CD2 3.35Å; F440-H449 WeakPolarHBondContact CZ-CD2 3.41Å; F440-H449 AromaticContact CZ-CG 3.45Å; F440-H449 VanDerWaalsContact CZ-CG 3.45Å; H445-H449 WeakPolarHBondContact O-CB 3.45Å; H445-H449 PolarHBondContact O-N 2.82Å; L446-H449 CarbonylContact O-C 3.56Å; L446-H449 WeakPolarHBondContact O-CA 3.43Å; L446-H449 WeakPolarHBondContact O-CB 3.33Å; L446-H449 PolarHBondContact O-N 3.34Å; I447-H449 PolarHBondContact O-N 3.2Å; I447-H449 VanDerWaalsContact O-N 3.11Å; H449-M451 PolarHBondContact O-N 2.85Å; H449-T452 PolarHBondContact CE1-OG1 3.11Å; H449-T452 PolarHBondContact ND1-OG1 3.07Å; H449-T452 WeakPolarHBondContact O-CA 3.47Å; H449-T452 WeakPolarHBondContact O-CB 3.23Å; H449-T452 PolarHBondContact O-N 3.06Å; H449-T452 PolarHBondContact O-OG1 2.88Å; H449-H453 AromaticContact CD2-NE2 3.84Å; H449-H453 AromaticContact CE1-CE1 3.53Å; H449-H453 AromaticContact CE1-NE2 3.24Å; H449-H453 PolarHBondContact CE1-NE2 2.9Å; H449-H453 AromaticContact NE2-CE1 3.72Å; H449-H453 AromaticContact NE2-NE2 3.07Å; H449-H453 PolarHBondContact NE2-NE2 3.43Å
450	Q	78.4	Confident	79.2	Confident	76 Å²	76	67.4 Å²	67.4	36%	0.355	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-36.3	172.6	-68.8	172.2	-76.2	0	0	111.1	L446 I447 T452 H453 T454	L446-Q450 HydrophobicContact CD1-CG 4.08Å; L446-Q450 HydrophobicContact CG-CG 4.43Å; L446-Q450 WeakPolarHBondContact O-CG 3.34Å; L446-Q450 PolarHBondContact O-N 2.98Å; I447-Q450 PolarHBondContact O-N 3.31Å; I447-Q450 VanDerWaalsContact O-N 3.12Å; Q450-T452 PolarHBondContact O-N 3.07Å; Q450-H453 PolarHBondContact O-N 3.46Å; Q450-T454 PolarHBondContact O-N 2.99Å; Q450-T454 VanDerWaalsContact O-N 3.14Å
451	M	79.4	Confident	79.3	Confident	36 Å²	36	65 Å²	65	18%	0.177	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-13.8	171.1	-35.5	-50	-77.5	0	0	114.5	I447 H449 G455 E456 P458	I447-M451 VanDerWaalsContact O-CG 3.3Å; I447-M451 WeakPolarHBondContact O-CG 3.44Å; I447-M451 PolarHBondContact O-N 2.63Å; H449-M451 PolarHBondContact O-N 2.85Å; M451-G455 PolarHBondContact O-N 3.02Å; M451-E456 HydrophobicContact CE-CB 3.63Å; M451-E456 WeakPolarHBondContact CE-OE2 3.5Å; M451-P458 HydrophobicContact CE-CG 3.97Å
452	T	76	Confident	79.3	Confident	88 Å²	88	69 Å²	69	54%	0.54	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-15.1	173.8	66.8	0	0	0	0	113.3	H449 Q450	H449-T452 PolarHBondContact CE1-OG1 3.11Å; H449-T452 PolarHBondContact ND1-OG1 3.07Å; H449-T452 WeakPolarHBondContact O-CA 3.47Å; H449-T452 WeakPolarHBondContact O-CB 3.23Å; H449-T452 PolarHBondContact O-N 3.06Å; H449-T452 PolarHBondContact O-OG1 2.88Å; Q450-T452 PolarHBondContact O-N 3.07Å
453	H	73.9	Confident	79.2	Confident	71 Å²	71	73.1 Å²	73.1	33%	0.329	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-43.8	174.1	-56.5	-53.4	0	0	0	111.6	C433 Q435 C436 H449 Q450 G455	C433-H453 VanDerWaalsContact SG-CD2 3.6Å; C433-H453 PolarHBondContact SG-NE2 3.35Å; C433-H453 VanDerWaalsContact SG-NE2 3.38Å; Q435-H453 PolarHBondContact OE1-CD2 2.77Å; Q435-H453 VanDerWaalsContact OE1-CD2 3.3Å; C436-H453 VanDerWaalsContact SG-CE1 3.5Å; C436-H453 PolarHBondContact SG-NE2 3.4Å; C436-H453 VanDerWaalsContact SG-NE2 3.37Å; H449-H453 AromaticContact CD2-NE2 3.84Å; H449-H453 AromaticContact CE1-CE1 3.53Å; H449-H453 AromaticContact CE1-NE2 3.24Å; H449-H453 PolarHBondContact CE1-NE2 2.9Å; H449-H453 AromaticContact NE2-CE1 3.72Å; H449-H453 AromaticContact NE2-NE2 3.07Å; H449-H453 PolarHBondContact NE2-NE2 3.43Å; Q450-H453 PolarHBondContact O-N 3.46Å; H453-G455 PolarHBondContact O-N 3.17Å
454	T	72.4	Confident	79.3	Confident	72 Å²	72	69.1 Å²	69.1	44%	0.442	38%	0.378	S	S	.	.	S	Bend	trans	-75.1	-12.9	175.6	64.2	0	0	0	0	113	Q450 E456	Q450-T454 PolarHBondContact O-N 2.99Å; Q450-T454 VanDerWaalsContact O-N 3.14Å; T454-E456 WeakPolarHBondContact CB-OE1 3.41Å; T454-E456 PolarHBondContact O-N 2.83Å; T454-E456 VanDerWaalsContact O-N 3.11Å; T454-E456 WeakPolarHBondContact OG1-CB 3.39Å; T454-E456 WeakPolarHBondContact OG1-CG 3.39Å; T454-E456 PolarHBondContact OG1-OE1 3.01Å
455	G	73.1	Confident	79.3	Confident	37 Å²	37	68.6 Å²	68.6	38%	0.381	38%	0.383	S	S	.	.			trans	71.3	-3.6	-176.4	0	0	0	0	0	114.5	M451 H453 K457	M451-G455 PolarHBondContact O-N 3.02Å; H453-G455 PolarHBondContact O-N 3.17Å; G455-K457 WeakPolarHBondContact O-CD 3.34Å; G455-K457 WeakPolarHBondContact O-CG 3.44Å; G455-K457 PolarHBondContact O-N 2.9Å
456	E	73.6	Confident	79.1	Confident	100 Å²	100	71.2 Å²	71.2	47%	0.467	39%	0.393	S	S	.	.			trans	-56.2	129.6	-176.6	-78.4	170.2	-111.9	0	0	112.6	M451 T454	M451-E456 HydrophobicContact CE-CB 3.63Å; M451-E456 WeakPolarHBondContact CE-OE2 3.5Å; T454-E456 WeakPolarHBondContact CB-OE1 3.41Å; T454-E456 PolarHBondContact O-N 2.83Å; T454-E456 VanDerWaalsContact O-N 3.11Å; T454-E456 WeakPolarHBondContact OG1-CB 3.39Å; T454-E456 WeakPolarHBondContact OG1-CG 3.39Å; T454-E456 PolarHBondContact OG1-OE1 3.01Å
457	K	79.6	Confident	79.1	Confident	115 Å²	115	72 Å²	72	50%	0.5	40%	0.403	S	S	.	.			trans	-133.2	73.5	-178.5	-73	151.2	-174.4	162.1	0	110	G455 F459 A467 F468	G455-K457 WeakPolarHBondContact O-CD 3.34Å; G455-K457 WeakPolarHBondContact O-CG 3.44Å; G455-K457 PolarHBondContact O-N 2.9Å; K457-F459 PolarHBondContact O-N 3.23Å; K457-A467 HydrophobicContact CB-CB 3.44Å; K457-A467 VanDerWaalsContact CB-CB 3.44Å; K457-A467 HydrophobicContact CD-CB 4.13Å; K457-A467 HydrophobicContact CG-CB 4.32Å; K457-F468 CarbonylContact C-O 3.13Å; K457-F468 VanDerWaalsContact C-O 3.23Å; K457-F468 VanDerWaalsContact CA-O 3.3Å; K457-F468 WeakPolarHBondContact CA-O 3.3Å
458	P	79.4	Confident	79.2	Confident	79 Å²	79	70.2 Å²	70.2	51%	0.513	39%	0.392	S	S	.	.			trans	-62.6	-13.4	-172.1	-23.8	35.4	0	0	0	114.9	M451	M451-P458 HydrophobicContact CE-CG 3.97Å
459	F	83.6	Confident	79.4	Confident	72 Å²	72	70.8 Å²	70.8	32%	0.316	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	81.9	-176.9	-53.5	-73.8	0	0	0	110.2	K457 F468 R470 K471 L474	K457-F459 PolarHBondContact O-N 3.23Å; F459-F468 HydrophobicContact CB-CB 4.36Å; F459-F468 WeakPolarHBondContact CB-O 3.24Å; F459-F468 WeakPolarHBondContact CD2-O 3.37Å; F459-F468 PolarHBondContact N-O 3.27Å; F459-F468 VanDerWaalsContact N-O 3.14Å; F459-F468 PolarHBondContact O-N 3.2Å; F459-R470 VanDerWaalsContact CD2-C 3.4Å; F459-K471 HydrophobicContact CD1-CB 3.74Å; F459-K471 HydrophobicContact CD1-CG 4.14Å; F459-K471 VanDerWaalsContact CD2-N 3.29Å; F459-K471 HydrophobicContact CE1-CB 3.68Å; F459-K471 HydrophobicContact CE1-CD 4.48Å; F459-K471 HydrophobicContact CE1-CG 4.27Å; F459-K471 HydrophobicContact CG-CB 4.2Å; F459-K471 HydrophobicContact CZ-CB 4.09Å; F459-L474 HydrophobicContact CB-CB 3.92Å; F459-L474 HydrophobicContact CB-CD2 3.82Å; F459-L474 HydrophobicContact CB-CG 4.49Å
460	I	81.6	Confident	79.2	Confident	110 Å²	110	74.7 Å²	74.7	56%	0.564	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.1	-179.5	-52.9	-180	0	0	0	111.1	A467	I460-A467 HydrophobicContact CG1-CB 3.96Å
461	C	87	Confident	79.3	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.007	42%	0.422	C	S	.	.			trans	-89	109.6	173.9	-166	0	0	0	0	111.7	K463 C464 G465 K466 F468 L474 H481	C461-K463 PolarHBondContact O-N 3.33Å; C461-K463 VanDerWaalsContact O-N 3.12Å; C461-C464 PolarHBondContact O-N 2.96Å; C461-C464 VanDerWaalsContact O-N 3.13Å; C461-G465 PolarHBondContact O-N 3.42Å; C461-K466 VanDerWaalsContact CB-O 3.24Å; C461-K466 WeakPolarHBondContact CB-O 3.31Å; C461-K466 PolarHBondContact N-O 3.39Å; C461-F468 HydrophobicContact CB-CE2 4.5Å; C461-L474 HydrophobicContact CB-CD1 3.53Å; C461-H481 VanDerWaalsContact SG-CD2 3.59Å
462	S	84	Confident	79.4	Confident	114 Å²	114	80 Å²	80	80%	0.797	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.8	-179.9	50.3	0	0	0	0	115.1
463	K	79.6	Confident	79.7	Confident	143 Å²	143	78.8 Å²	78.8	62%	0.622	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.5	179.7	-76.3	-168.2	170.9	-169.1	0	115.2	C461 H481	C461-K463 PolarHBondContact O-N 3.33Å; C461-K463 VanDerWaalsContact O-N 3.12Å; K463-H481 HydrophobicContact CD-CB 3.62Å; K463-H481 PolarHBondContact NZ-O 3.34Å
464	C	81.4	Confident	80.3	Confident	53 Å²	53	76.3 Å²	76.3	36%	0.358	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.5	14.8	-174.2	75.2	0	0	0	0	115.8	C461 K466 H477 H481	C461-C464 PolarHBondContact O-N 2.96Å; C461-C464 VanDerWaalsContact O-N 3.13Å; C464-K466 PolarHBondContact O-N 3.42Å; C464-H477 PolarHBondContact SG-NE2 2.97Å; C464-H481 VanDerWaalsContact SG-CE1 3.5Å; C464-H481 PolarHBondContact SG-NE2 3.29Å
465	G	79.2	Confident	80.8	Confident	54 Å²	54	76 Å²	76	56%	0.557	42%	0.416	S	S	*	.			trans	66.6	-10.6	-179.9	0	0	0	0	0	116.6	C461 A467	C461-G465 PolarHBondContact O-N 3.42Å; G465-A467 PolarHBondContact O-N 3.13Å
466	K	78.6	Confident	81.4	Confident	132 Å²	132	79.8 Å²	79.8	57%	0.574	42%	0.419	S	S	*	.			trans	-65.1	123.7	-175.4	-70.8	-176.6	-179.4	179.4	0	110.8	C461 C464 F468	C461-K466 VanDerWaalsContact CB-O 3.24Å; C461-K466 WeakPolarHBondContact CB-O 3.31Å; C461-K466 PolarHBondContact N-O 3.39Å; C464-K466 PolarHBondContact O-N 3.42Å; K466-F468 HydrophobicContact CB-CE2 4Å; K466-F468 HydrophobicContact CB-CZ 4.18Å; K466-F468 VanDerWaalsContact O-CE2 3.24Å; K466-F468 WeakPolarHBondContact O-CE2 3.3Å
467	A	82.8	Confident	81.9	Confident	36 Å²	36	76.2 Å²	76.2	30%	0.298	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.5	-173.1	0	0	0	0	0	112.1	K457 I460 G465	K457-A467 HydrophobicContact CB-CB 3.44Å; K457-A467 VanDerWaalsContact CB-CB 3.44Å; K457-A467 HydrophobicContact CD-CB 4.13Å; K457-A467 HydrophobicContact CG-CB 4.32Å; I460-A467 HydrophobicContact CG1-CB 3.96Å; G465-A467 PolarHBondContact O-N 3.13Å
468	F	82.9	Confident	82.1	Confident	43 Å²	43	74.2 Å²	74.2	19%	0.189	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.6	-176.1	-58.5	-90.5	0	0	0	111.9	K457 F459 C461 K466 Q473 L474 H477	K457-F468 CarbonylContact C-O 3.13Å; K457-F468 VanDerWaalsContact C-O 3.23Å; K457-F468 VanDerWaalsContact CA-O 3.3Å; K457-F468 WeakPolarHBondContact CA-O 3.3Å; F459-F468 HydrophobicContact CB-CB 4.36Å; F459-F468 WeakPolarHBondContact CB-O 3.24Å; F459-F468 WeakPolarHBondContact CD2-O 3.37Å; F459-F468 PolarHBondContact N-O 3.27Å; F459-F468 VanDerWaalsContact N-O 3.14Å; F459-F468 PolarHBondContact O-N 3.2Å; C461-F468 HydrophobicContact CB-CE2 4.5Å; K466-F468 HydrophobicContact CB-CE2 4Å; K466-F468 HydrophobicContact CB-CZ 4.18Å; K466-F468 VanDerWaalsContact O-CE2 3.24Å; K466-F468 WeakPolarHBondContact O-CE2 3.3Å; F468-Q473 HydrophobicContact CB-CB 4.03Å; F468-Q473 HydrophobicContact CD1-CB 3.74Å; F468-Q473 HydrophobicContact CG-CB 4.11Å; F468-L474 HydrophobicContact CB-CB 4.41Å; F468-L474 HydrophobicContact CD2-CB 4.02Å; F468-L474 HydrophobicContact CD2-CD1 4.03Å; F468-L474 HydrophobicContact CE2-CD1 4.27Å; F468-L474 HydrophobicContact CG-CB 4.4Å; F468-H477 HydrophobicContact CE1-CB 4.17Å; F468-H477 HydrophobicContact CE2-CB 3.9Å; F468-H477 AromaticContact CE2-CD2 3.31Å; F468-H477 WeakPolarHBondContact CE2-CD2 3.32Å; F468-H477 AromaticContact CE2-CG 3.81Å; F468-H477 HydrophobicContact CZ-CB 3.54Å; F468-H477 AromaticContact CZ-CD2 3.35Å; F468-H477 WeakPolarHBondContact CZ-CD2 3.29Å; F468-H477 AromaticContact CZ-CG 3.44Å; F468-H477 VanDerWaalsContact CZ-CG 3.44Å
469	S	79.5	Confident	82.5	Confident	31 Å²	31	73 Å²	73	22%	0.217	38%	0.38	C	S	.	.	S	Bend	trans	-85.7	-5.8	176.6	58.8	0	0	0	0	113.8
470	R	78	Confident	82.4	Confident	105 Å²	105	74 Å²	74	40%	0.396	39%	0.392	S	S	.	.	S	Bend	trans	-137.2	134.4	174.7	-60.9	-176.2	-179.8	-178.8	1.5	112.1	S448 F459 S472 Q473 L474	S448-R470 VanDerWaalsContact OG-CZ 3.26Å; S448-R470 PolarHBondContact OG-NE 2.99Å; S448-R470 PolarHBondContact OG-NH2 3.48Å; F459-R470 VanDerWaalsContact CD2-C 3.4Å; R470-S472 PolarHBondContact O-N 2.72Å; R470-S472 VanDerWaalsContact O-N 3.16Å; R470-Q473 HydrophobicContact CB-CG 4.1Å; R470-Q473 WeakPolarHBondContact O-CB 3.39Å; R470-Q473 PolarHBondContact O-N 2.65Å; R470-L474 PolarHBondContact O-N 2.95Å
471	K	78.9	Confident	82.4	Confident	142 Å²	142	71.7 Å²	71.7	62%	0.617	38%	0.378	S	S	*	.	H	α-helix	trans	-52.8	-37.3	175.3	-168.6	173	-178.7	174.9	0	113.3	F459 Q473 L474 V475	F459-K471 HydrophobicContact CD1-CB 3.74Å; F459-K471 HydrophobicContact CD1-CG 4.14Å; F459-K471 VanDerWaalsContact CD2-N 3.29Å; F459-K471 HydrophobicContact CE1-CB 3.68Å; F459-K471 HydrophobicContact CE1-CD 4.48Å; F459-K471 HydrophobicContact CE1-CG 4.27Å; F459-K471 HydrophobicContact CG-CB 4.2Å; F459-K471 HydrophobicContact CZ-CB 4.09Å; K471-Q473 VanDerWaalsContact C-N 3.31Å; K471-Q473 PolarHBondContact O-N 3.02Å; K471-L474 PolarHBondContact O-N 2.76Å; K471-V475 HydrophobicContact CG-CG2 4.47Å; K471-V475 WeakPolarHBondContact O-CG2 3.37Å; K471-V475 PolarHBondContact O-N 3.38Å
472	S	81.2	Confident	82.1	Confident	83 Å²	83	75.2 Å²	75.2	58%	0.58	40%	0.4	S	S	*	.	H	α-helix	trans	-66.3	-29	177.5	53.2	0	0	0	0	113.7	R470 R476	R470-S472 PolarHBondContact O-N 2.72Å; R470-S472 VanDerWaalsContact O-N 3.16Å; S472-R476 VanDerWaalsContact O-CB 3.27Å; S472-R476 WeakPolarHBondContact O-CB 3.47Å; S472-R476 PolarHBondContact O-N 3.28Å; S472-R476 VanDerWaalsContact O-N 3.14Å
473	Q	83.8	Confident	81.9	Confident	62 Å²	62	72.1 Å²	72.1	29%	0.29	39%	0.386	S	S	.	.	H	α-helix	trans	-73.5	-40.9	172.8	-65.7	170.3	-12.1	0	0	111	F468 R470 K471 R476 H477	F468-Q473 HydrophobicContact CB-CB 4.03Å; F468-Q473 HydrophobicContact CD1-CB 3.74Å; F468-Q473 HydrophobicContact CG-CB 4.11Å; R470-Q473 HydrophobicContact CB-CG 4.1Å; R470-Q473 WeakPolarHBondContact O-CB 3.39Å; R470-Q473 PolarHBondContact O-N 2.65Å; K471-Q473 VanDerWaalsContact C-N 3.31Å; K471-Q473 PolarHBondContact O-N 3.02Å; Q473-R476 PolarHBondContact O-N 3.25Å; Q473-H477 WeakPolarHBondContact O-CB 3.48Å; Q473-H477 PolarHBondContact O-N 3.34Å
474	L	85.9	Confident	82	Confident	18 Å²	18	69.9 Å²	69.9	9%	0.094	38%	0.378	C	S	.	.	H	α-helix	trans	-60.1	-50	173.5	172.2	61.7	0	0	0	111.5	F459 C461 F468 R470 K471 R476 H477 Q478	F459-L474 HydrophobicContact CB-CB 3.92Å; F459-L474 HydrophobicContact CB-CD2 3.82Å; F459-L474 HydrophobicContact CB-CG 4.49Å; C461-L474 HydrophobicContact CB-CD1 3.53Å; F468-L474 HydrophobicContact CB-CB 4.41Å; F468-L474 HydrophobicContact CD2-CB 4.02Å; F468-L474 HydrophobicContact CD2-CD1 4.03Å; F468-L474 HydrophobicContact CE2-CD1 4.27Å; F468-L474 HydrophobicContact CG-CB 4.4Å; R470-L474 PolarHBondContact O-N 2.95Å; K471-L474 PolarHBondContact O-N 2.76Å; L474-R476 VanDerWaalsContact C-N 3.3Å; L474-R476 PolarHBondContact O-N 3.32Å; L474-H477 CarbonylContact O-C 3.54Å; L474-H477 WeakPolarHBondContact O-CA 3.33Å; L474-H477 WeakPolarHBondContact O-CB 3.37Å; L474-H477 PolarHBondContact O-N 3.49Å; L474-Q478 HydrophobicContact CD1-CG 4.1Å; L474-Q478 HydrophobicContact CG-CG 4.44Å; L474-Q478 WeakPolarHBondContact O-CG 3.38Å; L474-Q478 PolarHBondContact O-N 3.35Å
475	V	84	Confident	82.3	Confident	65 Å²	65	73.5 Å²	73.5	39%	0.394	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-41.5	178.2	171.2	0	0	0	0	111.4	K471 H477 Q478	K471-V475 HydrophobicContact CG-CG2 4.47Å; K471-V475 WeakPolarHBondContact O-CG2 3.37Å; K471-V475 PolarHBondContact O-N 3.38Å; V475-H477 VanDerWaalsContact C-N 3.32Å; V475-H477 PolarHBondContact O-N 3.43Å; V475-Q478 PolarHBondContact O-N 3.06Å
476	R	84.1	Confident	82.6	Confident	117 Å²	117	74.3 Å²	74.3	44%	0.442	38%	0.383	S	S	.	.	H	α-helix	trans	-66	-33.5	175.4	-168	176.3	74.6	146.1	-1.8	112.6	S472 Q473 L474 E498	S472-R476 VanDerWaalsContact O-CB 3.27Å; S472-R476 WeakPolarHBondContact O-CB 3.47Å; S472-R476 PolarHBondContact O-N 3.28Å; S472-R476 VanDerWaalsContact O-N 3.14Å; Q473-R476 PolarHBondContact O-N 3.25Å; L474-R476 VanDerWaalsContact C-N 3.3Å; L474-R476 PolarHBondContact O-N 3.32Å; R476-E498 VanDerWaalsContact CD-CD 3.44Å; R476-E498 VanDerWaalsContact CD-OE1 3.29Å; R476-E498 WeakPolarHBondContact CD-OE1 3.38Å; R476-E498 HydrophobicContact CG-CG 4.17Å; R476-E498 IonicContact CZ-OE1 3.65Å; R476-E498 VanDerWaalsContact CZ-OE1 3.29Å; R476-E498 IonicContact CZ-OE2 3.14Å; R476-E498 IonicContact NE-OE1 3.6Å; R476-E498 PolarHBondContact NE-OE1 3.14Å; R476-E498 IonicContact NE-OE2 3.72Å; R476-E498 IonicContact NH1-OE1 3.33Å; R476-E498 PolarHBondContact NH1-OE1 3.32Å; R476-E498 IonicContact NH1-OE2 3.27Å; R476-E498 PolarHBondContact NH1-OE2 2.96Å
477	H	85.4	Confident	83.2	Confident	26 Å²	26	71.6 Å²	71.6	12%	0.12	37%	0.37	C	S	.	.	H	α-helix	trans	-73.9	-35.9	173.3	175.9	44.2	0	0	0	112.9	C464 F468 Q473 L474 V475 R479 T480 H481	C464-H477 PolarHBondContact SG-NE2 2.97Å; F468-H477 HydrophobicContact CE1-CB 4.17Å; F468-H477 HydrophobicContact CE2-CB 3.9Å; F468-H477 AromaticContact CE2-CD2 3.31Å; F468-H477 WeakPolarHBondContact CE2-CD2 3.32Å; F468-H477 AromaticContact CE2-CG 3.81Å; F468-H477 HydrophobicContact CZ-CB 3.54Å; F468-H477 AromaticContact CZ-CD2 3.35Å; F468-H477 WeakPolarHBondContact CZ-CD2 3.29Å; F468-H477 AromaticContact CZ-CG 3.44Å; F468-H477 VanDerWaalsContact CZ-CG 3.44Å; Q473-H477 WeakPolarHBondContact O-CB 3.48Å; Q473-H477 PolarHBondContact O-N 3.34Å; L474-H477 CarbonylContact O-C 3.54Å; L474-H477 WeakPolarHBondContact O-CA 3.33Å; L474-H477 WeakPolarHBondContact O-CB 3.37Å; L474-H477 PolarHBondContact O-N 3.49Å; V475-H477 VanDerWaalsContact C-N 3.32Å; V475-H477 PolarHBondContact O-N 3.43Å; H477-R479 PolarHBondContact O-N 3.31Å; H477-R479 VanDerWaalsContact O-N 3.12Å; H477-T480 PolarHBondContact CE1-OG1 3.03Å; H477-T480 VanDerWaalsContact CE1-OG1 3.26Å; H477-T480 PolarHBondContact ND1-OG1 3.3Å; H477-T480 WeakPolarHBondContact O-CB 3.35Å; H477-T480 PolarHBondContact O-N 3.41Å; H477-T480 PolarHBondContact O-OG1 3.11Å; H477-H481 AromaticContact CD2-NE2 3.82Å; H477-H481 AromaticContact CE1-CE1 3.74Å; H477-H481 AromaticContact CE1-NE2 3.24Å; H477-H481 PolarHBondContact CE1-NE2 3.12Å; H477-H481 AromaticContact NE2-CD2 3.92Å; H477-H481 AromaticContact NE2-CE1 3.81Å; H477-H481 AromaticContact NE2-NE2 3.01Å; H477-H481 PolarHBondContact NE2-NE2 2.88Å
478	Q	84	Confident	83.4	Confident	73 Å²	73	76.1 Å²	76.1	34%	0.341	39%	0.385	S	S	.	.	H	α-helix	trans	-56.8	-31.4	178.3	-76.2	170.1	-53.3	0	0	112.1	L474 V475 T480 H481 T482	L474-Q478 HydrophobicContact CD1-CG 4.1Å; L474-Q478 HydrophobicContact CG-CG 4.44Å; L474-Q478 WeakPolarHBondContact O-CG 3.38Å; L474-Q478 PolarHBondContact O-N 3.35Å; V475-Q478 PolarHBondContact O-N 3.06Å; Q478-T480 PolarHBondContact O-N 3.03Å; Q478-H481 WeakPolarHBondContact O-CA 3.14Å; Q478-H481 WeakPolarHBondContact O-CB 3.27Å; Q478-H481 PolarHBondContact O-N 3.41Å; Q478-T482 PolarHBondContact O-N 3.11Å; Q478-T482 VanDerWaalsContact O-N 3.15Å; Q478-T482 PolarHBondContact O-OG1 2.92Å
479	R	86.1	Confident	83.8	Confident	54 Å²	54	74 Å²	74	20%	0.204	38%	0.376	C	S	.	.	H	α-helix	trans	-58.1	-26.9	170.8	-62.1	-172.6	178	152.8	4.6	114.8	H477 H481 T482 G483 E484 S497	H477-R479 PolarHBondContact O-N 3.31Å; H477-R479 VanDerWaalsContact O-N 3.12Å; R479-H481 PolarHBondContact O-N 2.92Å; R479-T482 WeakPolarHBondContact CA-OG1 3.39Å; R479-G483 WeakPolarHBondContact O-CA 3.38Å; R479-G483 PolarHBondContact O-N 3.07Å; R479-E484 HydrophobicContact CB-CB 4.15Å; R479-E484 HydrophobicContact CG-CB 3.94Å; R479-E484 IonicContact NE-OE2 3.99Å; R479-E484 PolarHBondContact O-N 3.24Å; R479-S497 PolarHBondContact NH1-O 3.49Å
480	T	82.8	Confident	84.2	Confident	92 Å²	92	77.9 Å²	77.9	56%	0.564	40%	0.403	S	S	*	.	H	α-helix	trans	-73.2	-13.5	174.3	72.6	0	0	0	0	112.7	H477 Q478	H477-T480 PolarHBondContact CE1-OG1 3.03Å; H477-T480 VanDerWaalsContact CE1-OG1 3.26Å; H477-T480 PolarHBondContact ND1-OG1 3.3Å; H477-T480 WeakPolarHBondContact O-CB 3.35Å; H477-T480 PolarHBondContact O-N 3.41Å; H477-T480 PolarHBondContact O-OG1 3.11Å; Q478-T480 PolarHBondContact O-N 3.03Å
481	H	80.3	Confident	84.6	Confident	61 Å²	61	77.8 Å²	77.8	28%	0.282	41%	0.407	S	S	.	.	H	α-helix	trans	-106.4	-16.6	177.3	-56.6	-59.8	0	0	0	114.1	C461 K463 C464 H477 Q478 R479	C461-H481 VanDerWaalsContact SG-CD2 3.59Å; K463-H481 HydrophobicContact CD-CB 3.62Å; K463-H481 PolarHBondContact NZ-O 3.34Å; C464-H481 VanDerWaalsContact SG-CE1 3.5Å; C464-H481 PolarHBondContact SG-NE2 3.29Å; H477-H481 AromaticContact CD2-NE2 3.82Å; H477-H481 AromaticContact CE1-CE1 3.74Å; H477-H481 AromaticContact CE1-NE2 3.24Å; H477-H481 PolarHBondContact CE1-NE2 3.12Å; H477-H481 AromaticContact NE2-CD2 3.92Å; H477-H481 AromaticContact NE2-CE1 3.81Å; H477-H481 AromaticContact NE2-NE2 3.01Å; H477-H481 PolarHBondContact NE2-NE2 2.88Å; Q478-H481 WeakPolarHBondContact O-CA 3.14Å; Q478-H481 WeakPolarHBondContact O-CB 3.27Å; Q478-H481 PolarHBondContact O-N 3.41Å; R479-H481 PolarHBondContact O-N 2.92Å
482	T	81	Confident	84.9	Confident	75 Å²	75	73.2 Å²	73.2	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-100.5	-14.6	172.2	56.1	0	0	0	0	112.5	Q478 R479 E484	Q478-T482 PolarHBondContact O-N 3.11Å; Q478-T482 VanDerWaalsContact O-N 3.15Å; Q478-T482 PolarHBondContact O-OG1 2.92Å; R479-T482 WeakPolarHBondContact CA-OG1 3.39Å; T482-E484 VanDerWaalsContact CB-OE1 3.27Å; T482-E484 WeakPolarHBondContact CB-OE1 3.07Å; T482-E484 PolarHBondContact O-N 3.38Å; T482-E484 VanDerWaalsContact OG1-CD 3.24Å; T482-E484 WeakPolarHBondContact OG1-CG 3.4Å; T482-E484 PolarHBondContact OG1-OE1 3.36Å
483	G	80.5	Confident	85	Confident	50 Å²	50	71.3 Å²	71.3	52%	0.515	39%	0.386	S	S	.	.			trans	76.2	0.5	-174.7	0	0	0	0	0	113.9	R479 K485	R479-G483 WeakPolarHBondContact O-CA 3.38Å; R479-G483 PolarHBondContact O-N 3.07Å; G483-K485 WeakPolarHBondContact O-CG 3.09Å; G483-K485 PolarHBondContact O-N 3.37Å
484	E	82	Confident	85	Confident	96 Å²	96	74.1 Å²	74.1	45%	0.449	40%	0.397	S	S	.	.			trans	-52.7	123.5	-178.6	-83.3	165.9	-115	0	0	112.7	R479 T482	R479-E484 HydrophobicContact CB-CB 4.15Å; R479-E484 HydrophobicContact CG-CB 3.94Å; R479-E484 IonicContact NE-OE2 3.99Å; R479-E484 PolarHBondContact O-N 3.24Å; T482-E484 VanDerWaalsContact CB-OE1 3.27Å; T482-E484 WeakPolarHBondContact CB-OE1 3.07Å; T482-E484 PolarHBondContact O-N 3.38Å; T482-E484 VanDerWaalsContact OG1-CD 3.24Å; T482-E484 WeakPolarHBondContact OG1-CG 3.4Å; T482-E484 PolarHBondContact OG1-OE1 3.36Å
485	K	86.4	Confident	85.1	Confident	128 Å²	128	74.6 Å²	74.6	56%	0.557	40%	0.404	S	S	*	.			trans	-128.8	74.6	179	-75	158.7	164.3	-170.4	0	110.6	G483 Y487 A495 F496	G483-K485 WeakPolarHBondContact O-CG 3.09Å; G483-K485 PolarHBondContact O-N 3.37Å; K485-Y487 PolarHBondContact O-N 3.3Å; K485-A495 HydrophobicContact CB-CB 3.55Å; K485-A495 HydrophobicContact CD-CB 4.18Å; K485-A495 VanDerWaalsContact CD-O 3.25Å; K485-A495 WeakPolarHBondContact CD-O 3.19Å; K485-A495 WeakPolarHBondContact CE-O 3.38Å; K485-A495 HydrophobicContact CG-CB 4.42Å; K485-F496 CarbonylContact C-O 3.53Å; K485-F496 WeakPolarHBondContact CA-O 3.49Å
486	P	87.3	Confident	85.3	Confident	72 Å²	72	73.9 Å²	73.9	47%	0.468	40%	0.395	S	S	.	.			trans	-71.9	6.6	-171.3	-18.3	34	0	0	0	115.6
487	Y	89.4	Confident	85.4	Confident	75 Å²	75	70.1 Å²	70.1	29%	0.294	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	91.2	-175.1	-55.2	-72.7	0	0	0	109.7	K485 A495 F496 E498 K499	K485-Y487 PolarHBondContact O-N 3.3Å; Y487-A495 WeakPolarHBondContact O-CA 3.35Å; Y487-F496 PolarHBondContact N-O 3.49Å; Y487-F496 VanDerWaalsContact N-O 3.15Å; Y487-F496 PolarHBondContact O-N 3.28Å; Y487-E498 VanDerWaalsContact CD2-C 3.4Å; Y487-K499 HydrophobicContact CD1-CB 3.91Å; Y487-K499 HydrophobicContact CD1-CG 4.36Å; Y487-K499 HydrophobicContact CD2-CB 4.49Å; Y487-K499 VanDerWaalsContact CD2-N 3.34Å; Y487-K499 HydrophobicContact CE1-CB 3.78Å; Y487-K499 HydrophobicContact CE1-CG 4.42Å; Y487-K499 HydrophobicContact CE2-CB 4.37Å; Y487-K499 HydrophobicContact CG-CB 4.26Å
488	E	88.6	Confident	85.3	Confident	130 Å²	130	71.7 Å²	71.7	61%	0.607	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	145.2	-179.9	-166.7	169.8	167.1	0	0	112.8	G493 A495 L502	E488-G493 WeakPolarHBondContact OE1-CA 3.48Å; E488-A495 HydrophobicContact CB-CB 4.31Å; E488-A495 HydrophobicContact CG-CB 4.31Å; E488-L502 WeakPolarHBondContact O-CD2 3.49Å
489	C	90.6	Very high	85.4	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	41%	0.407	C	S	.	.			trans	-90.3	109.4	172	-167.5	0	0	0	0	110.3	E491 C492 G493 K494 L502	C489-E491 PolarHBondContact O-N 2.85Å; C489-C492 PolarHBondContact O-N 3.46Å; C489-C492 VanDerWaalsContact O-N 3.16Å; C489-G493 PolarHBondContact O-N 2.93Å; C489-K494 WeakPolarHBondContact CB-O 3.35Å; C489-K494 PolarHBondContact N-O 3.23Å; C489-L502 HydrophobicContact CB-CD1 3.58Å
490	S	88.1	Confident	85.3	Confident	112 Å²	112	77.7 Å²	77.7	78%	0.783	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.8	179.3	46.4	0	0	0	0	114.5
491	E	85.2	Confident	85.5	Confident	102 Å²	102	75.6 Å²	75.6	48%	0.477	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-14	-175.9	-65	163.5	-115.4	0	0	113.6	C489 H509	C489-E491 PolarHBondContact O-N 2.85Å; E491-H509 WeakPolarHBondContact OE2-CB 3.41Å; E491-H509 IonicContact OE2-CD2 3.6Å; E491-H509 IonicContact OE2-CG 3.13Å
492	C	85.6	Confident	86	Confident	46 Å²	46	73.5 Å²	73.5	31%	0.311	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.4	13.4	-179	70	0	0	0	0	116.6	C489 K494 H505 H509	C489-C492 PolarHBondContact O-N 3.46Å; C489-C492 VanDerWaalsContact O-N 3.16Å; C492-K494 PolarHBondContact O-N 3.16Å; C492-H505 PolarHBondContact SG-NE2 3.14Å; C492-H509 WeakPolarHBondContact CB-NE2 3.49Å; C492-H509 PolarHBondContact SG-NE2 3.37Å
493	G	83.4	Confident	86.2	Confident	44 Å²	44	72.4 Å²	72.4	45%	0.454	40%	0.399	S	S	.	.			trans	65.7	6.5	178.3	0	0	0	0	0	115.4	E488 C489 A495	E488-G493 WeakPolarHBondContact OE1-CA 3.48Å; C489-G493 PolarHBondContact O-N 2.93Å; G493-A495 PolarHBondContact O-N 2.79Å
494	K	84.3	Confident	86.5	Confident	120 Å²	120	71.8 Å²	71.8	52%	0.522	38%	0.384	S	S	.	.			trans	-78.7	113.6	-177.5	-74.2	177.5	-176.7	165.4	0	110.4	C489 C492 F496	C489-K494 WeakPolarHBondContact CB-O 3.35Å; C489-K494 PolarHBondContact N-O 3.23Å; C492-K494 PolarHBondContact O-N 3.16Å; K494-F496 HydrophobicContact CB-CE2 3.92Å; K494-F496 HydrophobicContact CB-CZ 4.16Å; K494-F496 VanDerWaalsContact O-CD2 3.3Å; K494-F496 WeakPolarHBondContact O-CD2 3.37Å; K494-F496 WeakPolarHBondContact O-CE2 3.4Å
495	A	88.9	Confident	86.8	Confident	29 Å²	29	68.1 Å²	68.1	24%	0.24	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.5	-179.8	0	0	0	0	0	113.5	K485 Y487 E488 G493	K485-A495 HydrophobicContact CB-CB 3.55Å; K485-A495 HydrophobicContact CD-CB 4.18Å; K485-A495 VanDerWaalsContact CD-O 3.25Å; K485-A495 WeakPolarHBondContact CD-O 3.19Å; K485-A495 WeakPolarHBondContact CE-O 3.38Å; K485-A495 HydrophobicContact CG-CB 4.42Å; Y487-A495 WeakPolarHBondContact O-CA 3.35Å; E488-A495 HydrophobicContact CB-CB 4.31Å; E488-A495 HydrophobicContact CG-CB 4.31Å; G493-A495 PolarHBondContact O-N 2.79Å
496	F	87.3	Confident	86.8	Confident	49 Å²	49	65 Å²	65	22%	0.215	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.7	-176	-60	-90.3	0	0	0	112.2	K485 Y487 K494 L502 H505	K485-F496 CarbonylContact C-O 3.53Å; K485-F496 WeakPolarHBondContact CA-O 3.49Å; Y487-F496 PolarHBondContact N-O 3.49Å; Y487-F496 VanDerWaalsContact N-O 3.15Å; Y487-F496 PolarHBondContact O-N 3.28Å; K494-F496 HydrophobicContact CB-CE2 3.92Å; K494-F496 HydrophobicContact CB-CZ 4.16Å; K494-F496 VanDerWaalsContact O-CD2 3.3Å; K494-F496 WeakPolarHBondContact O-CD2 3.37Å; K494-F496 WeakPolarHBondContact O-CE2 3.4Å; F496-L502 HydrophobicContact CB-CB 4.43Å; F496-L502 HydrophobicContact CD2-CB 4.01Å; F496-L502 HydrophobicContact CD2-CD1 4.01Å; F496-L502 HydrophobicContact CE2-CD1 4.22Å; F496-L502 HydrophobicContact CG-CB 4.42Å; F496-H505 HydrophobicContact CE1-CB 4.18Å; F496-H505 HydrophobicContact CE2-CB 3.88Å; F496-H505 AromaticContact CE2-CD2 3.28Å; F496-H505 WeakPolarHBondContact CE2-CD2 3.43Å; F496-H505 AromaticContact CE2-CG 3.68Å; F496-H505 HydrophobicContact CZ-CB 3.54Å; F496-H505 AromaticContact CZ-CD2 3.39Å; F496-H505 WeakPolarHBondContact CZ-CD2 3.15Å; F496-H505 AromaticContact CZ-CG 3.34Å
497	S	85.4	Confident	86.8	Confident	38 Å²	38	63.5 Å²	63.5	27%	0.266	34%	0.339	S	S	.	.	S	Bend	trans	-81.1	-14.4	177.9	53.4	0	0	0	0	114.1	R479	R479-S497 PolarHBondContact NH1-O 3.49Å
498	E	85.1	Confident	86.6	Confident	59 Å²	59	65.4 Å²	65.4	28%	0.276	35%	0.353	S	S	.	.	S	Bend	trans	-134.7	136.4	-179.8	-59.4	-163	-148.6	0	0	112.3	R476 Y487 L500 S501 L502	R476-E498 VanDerWaalsContact CD-CD 3.44Å; R476-E498 VanDerWaalsContact CD-OE1 3.29Å; R476-E498 WeakPolarHBondContact CD-OE1 3.38Å; R476-E498 HydrophobicContact CG-CG 4.17Å; R476-E498 IonicContact CZ-OE1 3.65Å; R476-E498 VanDerWaalsContact CZ-OE1 3.29Å; R476-E498 IonicContact CZ-OE2 3.14Å; R476-E498 IonicContact NE-OE1 3.6Å; R476-E498 PolarHBondContact NE-OE1 3.14Å; R476-E498 IonicContact NE-OE2 3.72Å; R476-E498 IonicContact NH1-OE1 3.33Å; R476-E498 PolarHBondContact NH1-OE1 3.32Å; R476-E498 IonicContact NH1-OE2 3.27Å; R476-E498 PolarHBondContact NH1-OE2 2.96Å; Y487-E498 VanDerWaalsContact CD2-C 3.4Å; E498-L500 VanDerWaalsContact C-N 3.29Å; E498-L500 PolarHBondContact O-N 3.36Å; E498-S501 WeakPolarHBondContact O-CB 3.48Å; E498-S501 PolarHBondContact O-N 3.14Å; E498-L502 PolarHBondContact O-N 3.27Å
499	K	85.4	Confident	86.4	Confident	137 Å²	137	63.5 Å²	63.5	60%	0.596	34%	0.344	S	S	*	.	H	α-helix	trans	-58.8	-37.2	179.4	-174.7	171.2	179.2	172.7	0	112.9	Y487 S501 L502 T503	Y487-K499 HydrophobicContact CD1-CB 3.91Å; Y487-K499 HydrophobicContact CD1-CG 4.36Å; Y487-K499 HydrophobicContact CD2-CB 4.49Å; Y487-K499 VanDerWaalsContact CD2-N 3.34Å; Y487-K499 HydrophobicContact CE1-CB 3.78Å; Y487-K499 HydrophobicContact CE1-CG 4.42Å; Y487-K499 HydrophobicContact CE2-CB 4.37Å; Y487-K499 HydrophobicContact CG-CB 4.26Å; K499-S501 VanDerWaalsContact C-N 3.27Å; K499-S501 PolarHBondContact O-N 3.39Å; K499-L502 WeakPolarHBondContact O-CB 3.18Å; K499-L502 PolarHBondContact O-N 3.37Å; K499-T503 PolarHBondContact O-N 2.94Å; K499-T503 PolarHBondContact O-OG1 2.61Å
500	L	84.6	Confident	86.1	Confident	116 Å²	116	67.4 Å²	67.4	61%	0.607	37%	0.368	S	S	*	.	H	α-helix	trans	-63.7	-33.2	177.6	-178.9	61.2	0	0	0	112.1	E498 N504	E498-L500 VanDerWaalsContact C-N 3.29Å; E498-L500 PolarHBondContact O-N 3.36Å; L500-N504 VanDerWaalsContact O-CB 3.32Å; L500-N504 WeakPolarHBondContact O-CB 3.41Å; L500-N504 VanDerWaalsContact O-CG 3.29Å; L500-N504 PolarHBondContact O-N 2.8Å; L500-N504 PolarHBondContact O-ND2 2.85Å
501	S	86.7	Confident	85.9	Confident	48 Å²	48	64.1 Å²	64.1	34%	0.336	35%	0.352	S	S	.	.	H	α-helix	trans	-68.8	-40.6	174.8	-57.1	0	0	0	0	111.4	E498 K499 H505	E498-S501 WeakPolarHBondContact O-CB 3.48Å; E498-S501 PolarHBondContact O-N 3.14Å; K499-S501 VanDerWaalsContact C-N 3.27Å; K499-S501 PolarHBondContact O-N 3.39Å; S501-H505 VanDerWaalsContact O-CB 3.3Å; S501-H505 WeakPolarHBondContact O-CB 3.27Å; S501-H505 PolarHBondContact O-N 3.04Å
502	L	89.5	Confident	85.9	Confident	18 Å²	18	64 Å²	64	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-50.8	171.7	173.4	61.3	0	0	0	111.3	E488 C489 F496 E498 K499 N504 H505 Q506	E488-L502 WeakPolarHBondContact O-CD2 3.49Å; C489-L502 HydrophobicContact CB-CD1 3.58Å; F496-L502 HydrophobicContact CB-CB 4.43Å; F496-L502 HydrophobicContact CD2-CB 4.01Å; F496-L502 HydrophobicContact CD2-CD1 4.01Å; F496-L502 HydrophobicContact CE2-CD1 4.22Å; F496-L502 HydrophobicContact CG-CB 4.42Å; E498-L502 PolarHBondContact O-N 3.27Å; K499-L502 WeakPolarHBondContact O-CB 3.18Å; K499-L502 PolarHBondContact O-N 3.37Å; L502-N504 VanDerWaalsContact C-N 3.33Å; L502-N504 PolarHBondContact O-N 2.95Å; L502-H505 CarbonylContact O-C 3.56Å; L502-H505 WeakPolarHBondContact O-CA 3.33Å; L502-H505 WeakPolarHBondContact O-CB 3.22Å; L502-H505 PolarHBondContact O-N 3.4Å; L502-Q506 HydrophobicContact CD1-CG 4Å; L502-Q506 HydrophobicContact CG-CG 4.38Å; L502-Q506 WeakPolarHBondContact O-CG 3.31Å; L502-Q506 PolarHBondContact O-N 3.39Å
503	T	86.8	Confident	86	Confident	51 Å²	51	67.8 Å²	67.8	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-38.8	179.4	-56.5	0	0	0	0	112.5	K499 H505	K499-T503 PolarHBondContact O-N 2.94Å; K499-T503 PolarHBondContact O-OG1 2.61Å; T503-H505 VanDerWaalsContact C-N 3.25Å; T503-H505 PolarHBondContact O-N 3.22Å
504	N	85.9	Confident	86.2	Confident	37 Å²	37	69 Å²	69	20%	0.198	36%	0.362	C	S	.	.	H	α-helix	trans	-69.7	-21.2	173.2	-75.6	-21.9	0	0	0	113.3	L500 L502 R507	L500-N504 VanDerWaalsContact O-CB 3.32Å; L500-N504 WeakPolarHBondContact O-CB 3.41Å; L500-N504 VanDerWaalsContact O-CG 3.29Å; L500-N504 PolarHBondContact O-N 2.8Å; L500-N504 PolarHBondContact O-ND2 2.85Å; L502-N504 VanDerWaalsContact C-N 3.33Å; L502-N504 PolarHBondContact O-N 2.95Å; N504-R507 PolarHBondContact OD1-NH1 3Å
505	H	87.5	Confident	86.6	Confident	20 Å²	20	66.8 Å²	66.8	9%	0.093	35%	0.351	C	S	.	.	H	α-helix	trans	-83.4	-40.5	175.3	173	55.3	0	0	0	112.4	C492 F496 S501 L502 T503 R507 I508	C492-H505 PolarHBondContact SG-NE2 3.14Å; F496-H505 HydrophobicContact CE1-CB 4.18Å; F496-H505 HydrophobicContact CE2-CB 3.88Å; F496-H505 AromaticContact CE2-CD2 3.28Å; F496-H505 WeakPolarHBondContact CE2-CD2 3.43Å; F496-H505 AromaticContact CE2-CG 3.68Å; F496-H505 HydrophobicContact CZ-CB 3.54Å; F496-H505 AromaticContact CZ-CD2 3.39Å; F496-H505 WeakPolarHBondContact CZ-CD2 3.15Å; F496-H505 AromaticContact CZ-CG 3.34Å; S501-H505 VanDerWaalsContact O-CB 3.3Å; S501-H505 WeakPolarHBondContact O-CB 3.27Å; S501-H505 PolarHBondContact O-N 3.04Å; L502-H505 CarbonylContact O-C 3.56Å; L502-H505 WeakPolarHBondContact O-CA 3.33Å; L502-H505 WeakPolarHBondContact O-CB 3.22Å; L502-H505 PolarHBondContact O-N 3.4Å; T503-H505 VanDerWaalsContact C-N 3.25Å; T503-H505 PolarHBondContact O-N 3.22Å; H505-R507 PolarHBondContact O-N 2.87Å; H505-I508 VanDerWaalsContact O-CB 3.22Å; H505-I508 WeakPolarHBondContact O-CB 3.41Å; H505-I508 WeakPolarHBondContact O-CG1 3.27Å; H505-I508 PolarHBondContact O-N 3.17Å
506	Q	86.9	Confident	86.6	Confident	61 Å²	61	69.6 Å²	69.6	29%	0.285	37%	0.365	S	S	.	.	H	α-helix	trans	-56.5	-32.7	177.6	-70.9	173.8	-72.6	0	0	112.3	L502 I508 H509 T510	L502-Q506 HydrophobicContact CD1-CG 4Å; L502-Q506 HydrophobicContact CG-CG 4.38Å; L502-Q506 WeakPolarHBondContact O-CG 3.31Å; L502-Q506 PolarHBondContact O-N 3.39Å; Q506-I508 PolarHBondContact O-N 3.06Å; Q506-H509 PolarHBondContact O-N 2.93Å; Q506-T510 PolarHBondContact O-N 3.48Å
507	R	88.4	Confident	86.8	Confident	41 Å²	41	67.3 Å²	67.3	16%	0.155	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-15.7	171.1	-66.2	-169.1	179.2	134.4	9.5	115.6	N504 H505 G511 E512 C525	N504-R507 PolarHBondContact OD1-NH1 3Å; H505-R507 PolarHBondContact O-N 2.87Å; R507-G511 CarbonylContact O-C 3.26Å; R507-G511 WeakPolarHBondContact O-CA 3.45Å; R507-G511 PolarHBondContact O-N 3.45Å; R507-E512 HydrophobicContact CB-CB 4.14Å; R507-E512 HydrophobicContact CG-CB 3.85Å; R507-E512 IonicContact NE-OE2 2.72Å; R507-E512 PolarHBondContact O-N 2.88Å; R507-C525 HydrophobicContact CB-CB 4.13Å; R507-C525 PolarHBondContact NH1-O 3.22Å
508	I	84.7	Confident	87	Confident	116 Å²	116	70.7 Å²	70.7	60%	0.595	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-33.1	173.4	-60.6	176.5	0	0	0	110.4	H505 Q506	H505-I508 VanDerWaalsContact O-CB 3.22Å; H505-I508 WeakPolarHBondContact O-CB 3.41Å; H505-I508 WeakPolarHBondContact O-CG1 3.27Å; H505-I508 PolarHBondContact O-N 3.17Å; Q506-I508 PolarHBondContact O-N 3.06Å
509	H	84	Confident	87	Confident	90 Å²	90	72.8 Å²	72.8	42%	0.417	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-48.3	177.7	-52.8	-59.8	0	0	0	111.6	E491 C492 Q506 G511	E491-H509 WeakPolarHBondContact OE2-CB 3.41Å; E491-H509 IonicContact OE2-CD2 3.6Å; E491-H509 IonicContact OE2-CG 3.13Å; C492-H509 WeakPolarHBondContact CB-NE2 3.49Å; C492-H509 PolarHBondContact SG-NE2 3.37Å; Q506-H509 PolarHBondContact O-N 2.93Å; H509-G511 PolarHBondContact O-N 3.44Å
510	T	84.3	Confident	87.1	Confident	82 Å²	82	68.8 Å²	68.8	50%	0.503	38%	0.377	S	S	.	.	S	Bend	trans	-71.5	-10.2	178	66.5	0	0	0	0	113.6	Q506 E512	Q506-T510 PolarHBondContact O-N 3.48Å; T510-E512 PolarHBondContact O-N 3.14Å; T510-E512 VanDerWaalsContact O-N 3.15Å; T510-E512 WeakPolarHBondContact OG1-CG 3.32Å
511	G	83.1	Confident	87.1	Confident	42 Å²	42	65.8 Å²	65.8	43%	0.433	37%	0.374	S	S	.	.			trans	70.7	-0.3	-176.6	0	0	0	0	0	115	R507 H509 K513	R507-G511 CarbonylContact O-C 3.26Å; R507-G511 WeakPolarHBondContact O-CA 3.45Å; R507-G511 PolarHBondContact O-N 3.45Å; H509-G511 PolarHBondContact O-N 3.44Å; G511-K513 WeakPolarHBondContact O-CG 3.47Å; G511-K513 PolarHBondContact O-N 3.13Å
512	E	85.6	Confident	87.1	Confident	101 Å²	101	69.2 Å²	69.2	47%	0.472	38%	0.383	S	S	.	.			trans	-52.9	124.4	-176.5	-89.1	-177.4	-153.2	0	0	113.2	R507 T510	R507-E512 HydrophobicContact CB-CB 4.14Å; R507-E512 HydrophobicContact CG-CB 3.85Å; R507-E512 IonicContact NE-OE2 2.72Å; R507-E512 PolarHBondContact O-N 2.88Å; T510-E512 PolarHBondContact O-N 3.14Å; T510-E512 VanDerWaalsContact O-N 3.15Å; T510-E512 WeakPolarHBondContact OG1-CG 3.32Å
513	K	88.3	Confident	87.1	Confident	124 Å²	124	70.1 Å²	70.1	54%	0.539	39%	0.393	S	S	.	.			trans	-128.5	72.8	176.9	-72.1	157.5	179.8	172.6	0	111.1	G511 Y515 A523 F524	G511-K513 WeakPolarHBondContact O-CG 3.47Å; G511-K513 PolarHBondContact O-N 3.13Å; K513-Y515 PolarHBondContact O-N 3.43Å; K513-A523 HydrophobicContact CB-CB 3.57Å; K513-A523 HydrophobicContact CD-CB 4.24Å; K513-A523 WeakPolarHBondContact CD-O 3.41Å; K513-A523 HydrophobicContact CG-CB 4.43Å; K513-F524 CarbonylContact C-O 3.57Å; K513-F524 VanDerWaalsContact CA-O 3.27Å; K513-F524 WeakPolarHBondContact CA-O 3.49Å
514	P	88.1	Confident	87.2	Confident	70 Å²	70	70 Å²	70	46%	0.455	39%	0.388	S	S	.	.			trans	-68.3	-5.9	-171.8	-20.3	34.4	0	0	0	115.3
515	Y	91.4	Very high	87.2	Confident	74 Å²	74	69.7 Å²	69.7	29%	0.29	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	90.6	-174.4	-53	-71.8	0	0	0	109.8	K513 F524 K527	K513-Y515 PolarHBondContact O-N 3.43Å; Y515-F524 WeakPolarHBondContact CD2-O 3.43Å; Y515-F524 PolarHBondContact N-O 2.88Å; Y515-F524 VanDerWaalsContact N-O 3.14Å; Y515-F524 PolarHBondContact O-N 3.19Å; Y515-K527 HydrophobicContact CD1-CB 3.86Å; Y515-K527 HydrophobicContact CD1-CG 4.33Å; Y515-K527 HydrophobicContact CD2-CB 4.48Å; Y515-K527 VanDerWaalsContact CD2-N 3.31Å; Y515-K527 HydrophobicContact CE1-CB 3.83Å; Y515-K527 HydrophobicContact CE1-CG 4.49Å; Y515-K527 HydrophobicContact CE2-CB 4.43Å; Y515-K527 HydrophobicContact CG-CB 4.19Å
516	V	89.2	Confident	87.1	Confident	88 Å²	88	71.4 Å²	71.4	53%	0.533	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.6	-179.7	-172	0	0	0	0	110.8	A523	V516-A523 HydrophobicContact CG2-CB 4.01Å
517	C	91.9	Very high	87.1	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.007	41%	0.41	C	S	.	.			trans	-82	120.8	169.3	175.9	0	0	0	0	110.2	E519 G521 K522 L530 H537	C517-E519 VanDerWaalsContact C-N 3.28Å; C517-E519 PolarHBondContact O-N 3.01Å; C517-G521 VanDerWaalsContact O-CA 3.29Å; C517-G521 WeakPolarHBondContact O-CA 3.36Å; C517-G521 PolarHBondContact O-N 3.1Å; C517-K522 VanDerWaalsContact CB-O 3.32Å; C517-K522 WeakPolarHBondContact CB-O 3.45Å; C517-K522 PolarHBondContact N-O 3.22Å; C517-L530 HydrophobicContact CB-CD1 3.6Å; C517-H537 PolarHBondContact SG-NE2 3.16Å; C517-H537 VanDerWaalsContact SG-NE2 3.4Å
518	S	88.9	Confident	87	Confident	108 Å²	108	75.7 Å²	75.7	76%	0.755	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.3	178.4	44.9	0	0	0	0	113.7
519	E	86.9	Confident	87.1	Confident	103 Å²	103	74.6 Å²	74.6	48%	0.481	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-21.5	-171.7	-62.4	151.8	123.3	0	0	113.4	C517 H537	C517-E519 VanDerWaalsContact C-N 3.28Å; C517-E519 PolarHBondContact O-N 3.01Å; E519-H537 IonicContact OE2-CD2 3.87Å; E519-H537 PolarHBondContact OE2-CD2 3.23Å; E519-H537 VanDerWaalsContact OE2-CD2 3.25Å; E519-H537 IonicContact OE2-CG 3.86Å
520	C	87	Confident	87.4	Confident	53 Å²	53	71.2 Å²	71.2	36%	0.358	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.6	13	-178.2	74.9	0	0	0	0	115.6	K522 H533 H537	C520-K522 PolarHBondContact O-N 3.17Å; C520-H533 PolarHBondContact SG-NE2 3.28Å; C520-H537 PolarHBondContact SG-CE1 2.83Å; C520-H537 PolarHBondContact SG-NE2 2.9Å; C520-H537 VanDerWaalsContact SG-NE2 3.42Å
521	G	85	Confident	87.5	Confident	53 Å²	53	70.9 Å²	70.9	55%	0.546	40%	0.395	S	S	.	.			trans	68.3	-5.1	177.7	0	0	0	0	0	116.2	C517 A523	C517-G521 VanDerWaalsContact O-CA 3.29Å; C517-G521 WeakPolarHBondContact O-CA 3.36Å; C517-G521 PolarHBondContact O-N 3.1Å; G521-A523 PolarHBondContact O-N 2.85Å
522	K	86.4	Confident	87.6	Confident	121 Å²	121	70 Å²	70	53%	0.526	38%	0.382	S	S	.	.			trans	-66.1	126.4	-177.2	-70.9	175.9	-171.3	165	0	111.1	C517 C520 F524	C517-K522 VanDerWaalsContact CB-O 3.32Å; C517-K522 WeakPolarHBondContact CB-O 3.45Å; C517-K522 PolarHBondContact N-O 3.22Å; C520-K522 PolarHBondContact O-N 3.17Å; K522-F524 HydrophobicContact CB-CE2 3.89Å; K522-F524 HydrophobicContact CB-CZ 4.12Å; K522-F524 WeakPolarHBondContact O-CD2 3.43Å; K522-F524 VanDerWaalsContact O-CE2 3.27Å; K522-F524 WeakPolarHBondContact O-CE2 3.36Å
523	A	89.1	Confident	87.7	Confident	37 Å²	37	66.3 Å²	66.3	31%	0.306	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140	-175.1	0	0	0	0	0	112.6	K513 V516 G521	K513-A523 HydrophobicContact CB-CB 3.57Å; K513-A523 HydrophobicContact CD-CB 4.24Å; K513-A523 WeakPolarHBondContact CD-O 3.41Å; K513-A523 HydrophobicContact CG-CB 4.43Å; V516-A523 HydrophobicContact CG2-CB 4.01Å; G521-A523 PolarHBondContact O-N 2.85Å
524	F	88.4	Confident	87.6	Confident	47 Å²	47	63.5 Å²	63.5	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.1	-174.3	-59.2	-92.7	0	0	0	111.9	K513 Y515 K522 Q526 H529 L530 H533	K513-F524 CarbonylContact C-O 3.57Å; K513-F524 VanDerWaalsContact CA-O 3.27Å; K513-F524 WeakPolarHBondContact CA-O 3.49Å; Y515-F524 WeakPolarHBondContact CD2-O 3.43Å; Y515-F524 PolarHBondContact N-O 2.88Å; Y515-F524 VanDerWaalsContact N-O 3.14Å; Y515-F524 PolarHBondContact O-N 3.19Å; K522-F524 HydrophobicContact CB-CE2 3.89Å; K522-F524 HydrophobicContact CB-CZ 4.12Å; K522-F524 WeakPolarHBondContact O-CD2 3.43Å; K522-F524 VanDerWaalsContact O-CE2 3.27Å; K522-F524 WeakPolarHBondContact O-CE2 3.36Å; F524-Q526 VanDerWaalsContact C-N 3.33Å; F524-H529 HydrophobicContact CB-CB 4.26Å; F524-H529 HydrophobicContact CD1-CB 3.77Å; F524-H529 HydrophobicContact CG-CB 4.26Å; F524-L530 HydrophobicContact CB-CB 4.45Å; F524-L530 HydrophobicContact CD2-CB 4.08Å; F524-L530 HydrophobicContact CD2-CD1 4.03Å; F524-L530 HydrophobicContact CE2-CD1 4.24Å; F524-L530 HydrophobicContact CG-CB 4.43Å; F524-H533 HydrophobicContact CE1-CB 4.12Å; F524-H533 HydrophobicContact CE2-CB 3.97Å; F524-H533 AromaticContact CE2-CD2 3.36Å; F524-H533 WeakPolarHBondContact CE2-CD2 3.44Å; F524-H533 AromaticContact CE2-CG 3.85Å; F524-H533 HydrophobicContact CZ-CB 3.54Å; F524-H533 AromaticContact CZ-CD2 3.36Å; F524-H533 WeakPolarHBondContact CZ-CD2 3.49Å; F524-H533 AromaticContact CZ-CG 3.42Å; F524-H533 VanDerWaalsContact CZ-CG 3.42Å
525	C	85.4	Confident	87.6	Confident	31 Å²	31	62.7 Å²	62.7	21%	0.209	34%	0.342	C	S	.	.	S	Bend	trans	-79.3	-10.9	177	58.5	0	0	0	0	114.2	R507	R507-C525 HydrophobicContact CB-CB 4.13Å; R507-C525 PolarHBondContact NH1-O 3.22Å
526	Q	86.6	Confident	87.3	Confident	56 Å²	56	63.9 Å²	63.9	26%	0.262	36%	0.357	S	S	.	.	S	Bend	trans	-140.5	139.1	179.3	-58.5	-176.7	18.7	0	0	111.8	F524 S528 H529 L530	F524-Q526 VanDerWaalsContact C-N 3.33Å; Q526-S528 VanDerWaalsContact C-N 3.27Å; Q526-S528 WeakPolarHBondContact CB-OG 3.25Å; Q526-S528 PolarHBondContact O-N 2.99Å; Q526-S528 PolarHBondContact OE1-OG 3.24Å; Q526-H529 PolarHBondContact O-N 3.08Å; Q526-H529 VanDerWaalsContact O-N 3.16Å; Q526-L530 PolarHBondContact O-N 2.66Å
527	K	86.5	Confident	87.1	Confident	129 Å²	129	63.3 Å²	63.3	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-62.3	-31.2	179.6	-172.7	172.3	179.7	173.9	0	113.3	Y515 H529 L530 I531	Y515-K527 HydrophobicContact CD1-CB 3.86Å; Y515-K527 HydrophobicContact CD1-CG 4.33Å; Y515-K527 HydrophobicContact CD2-CB 4.48Å; Y515-K527 VanDerWaalsContact CD2-N 3.31Å; Y515-K527 HydrophobicContact CE1-CB 3.83Å; Y515-K527 HydrophobicContact CE1-CG 4.49Å; Y515-K527 HydrophobicContact CE2-CB 4.43Å; Y515-K527 HydrophobicContact CG-CB 4.19Å; K527-H529 VanDerWaalsContact C-N 3.34Å; K527-H529 PolarHBondContact O-N 3.08Å; K527-L530 PolarHBondContact O-N 3.44Å; K527-I531 HydrophobicContact CG-CD1 3.99Å; K527-I531 HydrophobicContact CG-CG1 4.4Å; K527-I531 WeakPolarHBondContact O-CG1 3.29Å; K527-I531 PolarHBondContact O-N 2.95Å
528	S	85.4	Confident	86.7	Confident	64 Å²	64	66.9 Å²	66.9	45%	0.448	37%	0.37	S	S	.	.	H	α-helix	trans	-56.7	-44.8	173.2	41.3	0	0	0	0	112.5	Q526 I531 S532	Q526-S528 VanDerWaalsContact C-N 3.27Å; Q526-S528 WeakPolarHBondContact CB-OG 3.25Å; Q526-S528 PolarHBondContact O-N 2.99Å; Q526-S528 PolarHBondContact OE1-OG 3.24Å; S528-I531 PolarHBondContact O-N 3.12Å; S528-S532 PolarHBondContact O-N 2.8Å
529	H	87.4	Confident	86.4	Confident	92 Å²	92	64 Å²	64	43%	0.426	36%	0.357	S	S	.	.	H	α-helix	trans	-71.4	-36.1	179.4	-57.3	155.4	0	0	0	111.9	F524 Q526 K527 S532 H533	F524-H529 HydrophobicContact CB-CB 4.26Å; F524-H529 HydrophobicContact CD1-CB 3.77Å; F524-H529 HydrophobicContact CG-CB 4.26Å; Q526-H529 PolarHBondContact O-N 3.08Å; Q526-H529 VanDerWaalsContact O-N 3.16Å; K527-H529 VanDerWaalsContact C-N 3.34Å; K527-H529 PolarHBondContact O-N 3.08Å; H529-S532 PolarHBondContact O-N 3.47Å; H529-H533 VanDerWaalsContact O-CB 3.31Å; H529-H533 WeakPolarHBondContact O-CB 3.49Å; H529-H533 PolarHBondContact O-N 3.45Å
530	L	89.8	Confident	86.2	Confident	19 Å²	19	64.1 Å²	64.1	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-49	171	173.9	60.5	0	0	0	111.2	C517 F524 Q526 K527 S532 H533 Q534	C517-L530 HydrophobicContact CB-CD1 3.6Å; F524-L530 HydrophobicContact CB-CB 4.45Å; F524-L530 HydrophobicContact CD2-CB 4.08Å; F524-L530 HydrophobicContact CD2-CD1 4.03Å; F524-L530 HydrophobicContact CE2-CD1 4.24Å; F524-L530 HydrophobicContact CG-CB 4.43Å; Q526-L530 PolarHBondContact O-N 2.66Å; K527-L530 PolarHBondContact O-N 3.44Å; L530-S532 PolarHBondContact O-N 2.89Å; L530-H533 CarbonylContact O-C 3.08Å; L530-H533 WeakPolarHBondContact O-CB 3.23Å; L530-H533 PolarHBondContact O-N 2.65Å; L530-H533 VanDerWaalsContact O-N 3.1Å; L530-Q534 HydrophobicContact CD1-CG 4.04Å; L530-Q534 HydrophobicContact CG-CG 4.45Å; L530-Q534 WeakPolarHBondContact O-CG 3.17Å; L530-Q534 PolarHBondContact O-N 3.23Å
531	I	86.6	Confident	86.3	Confident	75 Å²	75	67.8 Å²	67.8	39%	0.385	37%	0.368	S	S	.	.	H	α-helix	trans	-61.8	-42.7	179.6	-67.8	166	0	0	0	111.3	K527 S528 H533 Q534	K527-I531 HydrophobicContact CG-CD1 3.99Å; K527-I531 HydrophobicContact CG-CG1 4.4Å; K527-I531 WeakPolarHBondContact O-CG1 3.29Å; K527-I531 PolarHBondContact O-N 2.95Å; S528-I531 PolarHBondContact O-N 3.12Å; I531-H533 VanDerWaalsContact C-N 3.29Å; I531-H533 PolarHBondContact O-N 2.84Å; I531-Q534 PolarHBondContact O-N 3.25Å
532	S	85.7	Confident	86.4	Confident	24 Å²	24	68.5 Å²	68.5	17%	0.168	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-36.3	175.3	-161.5	0	0	0	0	111.9	S528 H529 L530 R535 E554	S528-S532 PolarHBondContact O-N 2.8Å; H529-S532 PolarHBondContact O-N 3.47Å; L530-S532 PolarHBondContact O-N 2.89Å; S532-R535 WeakPolarHBondContact O-CB 3.47Å; S532-E554 VanDerWaalsContact OG-CG 3.32Å; S532-E554 WeakPolarHBondContact OG-CG 3.49Å; S532-E554 PolarHBondContact OG-OE1 2.8Å
533	H	87.8	Confident	86.6	Confident	24 Å²	24	66.3 Å²	66.3	11%	0.111	35%	0.352	C	S	.	.	H	α-helix	trans	-69.1	-38.6	175.5	177	44.4	0	0	0	113.4	C520 F524 H529 L530 I531 R535 T536 H537	C520-H533 PolarHBondContact SG-NE2 3.28Å; F524-H533 HydrophobicContact CE1-CB 4.12Å; F524-H533 HydrophobicContact CE2-CB 3.97Å; F524-H533 AromaticContact CE2-CD2 3.36Å; F524-H533 WeakPolarHBondContact CE2-CD2 3.44Å; F524-H533 AromaticContact CE2-CG 3.85Å; F524-H533 HydrophobicContact CZ-CB 3.54Å; F524-H533 AromaticContact CZ-CD2 3.36Å; F524-H533 WeakPolarHBondContact CZ-CD2 3.49Å; F524-H533 AromaticContact CZ-CG 3.42Å; F524-H533 VanDerWaalsContact CZ-CG 3.42Å; H529-H533 VanDerWaalsContact O-CB 3.31Å; H529-H533 WeakPolarHBondContact O-CB 3.49Å; H529-H533 PolarHBondContact O-N 3.45Å; L530-H533 CarbonylContact O-C 3.08Å; L530-H533 WeakPolarHBondContact O-CB 3.23Å; L530-H533 PolarHBondContact O-N 2.65Å; L530-H533 VanDerWaalsContact O-N 3.1Å; I531-H533 VanDerWaalsContact C-N 3.29Å; I531-H533 PolarHBondContact O-N 2.84Å; H533-R535 PolarHBondContact O-N 3.16Å; H533-T536 PolarHBondContact CE1-OG1 3.09Å; H533-T536 PolarHBondContact ND1-OG1 3.16Å; H533-T536 WeakPolarHBondContact O-CA 3.47Å; H533-T536 WeakPolarHBondContact O-CB 3.39Å; H533-T536 PolarHBondContact O-N 2.86Å; H533-T536 PolarHBondContact O-OG1 3.46Å; H533-H537 AromaticContact CD2-NE2 3.83Å; H533-H537 AromaticContact CE1-CE1 3.5Å; H533-H537 PolarHBondContact CE1-CE1 3.11Å; H533-H537 VanDerWaalsContact CE1-CE1 3.5Å; H533-H537 AromaticContact CE1-NE2 3.24Å; H533-H537 PolarHBondContact CE1-NE2 3.48Å; H533-H537 AromaticContact NE2-CE1 3.63Å; H533-H537 AromaticContact NE2-NE2 3.03Å; H533-H537 PolarHBondContact NE2-NE2 3.23Å
534	Q	86.8	Confident	86.6	Confident	64 Å²	64	70.5 Å²	70.5	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-59.8	-33	179	-72.4	178.2	-79.2	0	0	112.2	L530 I531 T536 H537 T538	L530-Q534 HydrophobicContact CD1-CG 4.04Å; L530-Q534 HydrophobicContact CG-CG 4.45Å; L530-Q534 WeakPolarHBondContact O-CG 3.17Å; L530-Q534 PolarHBondContact O-N 3.23Å; I531-Q534 PolarHBondContact O-N 3.25Å; Q534-T536 PolarHBondContact O-N 2.94Å; Q534-T536 VanDerWaalsContact O-N 3.11Å; Q534-H537 PolarHBondContact O-N 3.31Å; Q534-T538 PolarHBondContact O-N 3Å; Q534-T538 VanDerWaalsContact O-N 3.11Å
535	R	87.8	Confident	86.7	Confident	54 Å²	54	68.3 Å²	68.3	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-59.5	-19.8	170.8	-63.2	-179.4	177.2	153.2	3.7	114.5	S532 H533 H537 G539 E540 G553	S532-R535 WeakPolarHBondContact O-CB 3.47Å; H533-R535 PolarHBondContact O-N 3.16Å; R535-H537 VanDerWaalsContact C-N 3.33Å; R535-G539 CarbonylContact O-C 3.55Å; R535-G539 WeakPolarHBondContact O-CA 3.42Å; R535-G539 PolarHBondContact O-N 2.84Å; R535-E540 HydrophobicContact CB-CB 4.2Å; R535-E540 HydrophobicContact CG-CB 3.98Å; R535-E540 PolarHBondContact O-N 3.42Å; R535-G553 WeakPolarHBondContact CD-O 3.48Å; R535-G553 PolarHBondContact NH1-O 3.07Å
536	T	85.4	Confident	86.9	Confident	99 Å²	99	73 Å²	73	61%	0.607	38%	0.384	S	S	*	.	H	α-helix	trans	-79.2	-15.3	174.8	69.5	0	0	0	0	113.5	H533 Q534	H533-T536 PolarHBondContact CE1-OG1 3.09Å; H533-T536 PolarHBondContact ND1-OG1 3.16Å; H533-T536 WeakPolarHBondContact O-CA 3.47Å; H533-T536 WeakPolarHBondContact O-CB 3.39Å; H533-T536 PolarHBondContact O-N 2.86Å; H533-T536 PolarHBondContact O-OG1 3.46Å; Q534-T536 PolarHBondContact O-N 2.94Å; Q534-T536 VanDerWaalsContact O-N 3.11Å
537	H	83.6	Confident	86.9	Confident	75 Å²	75	75.4 Å²	75.4	35%	0.347	39%	0.394	S	S	.	.	H	α-helix	trans	-95.5	-47.1	171.2	-52.3	-56.2	0	0	0	111.3	C517 E519 C520 H533 Q534 R535 G539	C517-H537 PolarHBondContact SG-NE2 3.16Å; C517-H537 VanDerWaalsContact SG-NE2 3.4Å; E519-H537 IonicContact OE2-CD2 3.87Å; E519-H537 PolarHBondContact OE2-CD2 3.23Å; E519-H537 VanDerWaalsContact OE2-CD2 3.25Å; E519-H537 IonicContact OE2-CG 3.86Å; C520-H537 PolarHBondContact SG-CE1 2.83Å; C520-H537 PolarHBondContact SG-NE2 2.9Å; C520-H537 VanDerWaalsContact SG-NE2 3.42Å; H533-H537 AromaticContact CD2-NE2 3.83Å; H533-H537 AromaticContact CE1-CE1 3.5Å; H533-H537 PolarHBondContact CE1-CE1 3.11Å; H533-H537 VanDerWaalsContact CE1-CE1 3.5Å; H533-H537 AromaticContact CE1-NE2 3.24Å; H533-H537 PolarHBondContact CE1-NE2 3.48Å; H533-H537 AromaticContact NE2-CE1 3.63Å; H533-H537 AromaticContact NE2-NE2 3.03Å; H533-H537 PolarHBondContact NE2-NE2 3.23Å; Q534-H537 PolarHBondContact O-N 3.31Å; R535-H537 VanDerWaalsContact C-N 3.33Å; H537-G539 PolarHBondContact O-N 3.14Å
538	T	83.7	Confident	86.9	Confident	77 Å²	77	71.4 Å²	71.4	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-72	-15	178.4	65	0	0	0	0	113.7	Q534 E540	Q534-T538 PolarHBondContact O-N 3Å; Q534-T538 VanDerWaalsContact O-N 3.11Å; T538-E540 PolarHBondContact O-N 3.34Å; T538-E540 WeakPolarHBondContact OG1-CG 3.5Å; T538-E540 PolarHBondContact OG1-N 3.45Å
539	G	82.5	Confident	86.8	Confident	46 Å²	46	70.6 Å²	70.6	47%	0.474	38%	0.384	S	S	.	.			trans	74.1	0.5	-175.8	0	0	0	0	0	114.6	R535 H537 K541	R535-G539 CarbonylContact O-C 3.55Å; R535-G539 WeakPolarHBondContact O-CA 3.42Å; R535-G539 PolarHBondContact O-N 2.84Å; H537-G539 PolarHBondContact O-N 3.14Å; G539-K541 PolarHBondContact O-N 3.33Å
540	E	84.4	Confident	86.8	Confident	106 Å²	106	71.7 Å²	71.7	50%	0.495	39%	0.388	S	S	.	.			trans	-53.2	127.3	-178.5	-86.1	-179.3	-154.3	0	0	112.8	R535 T538	R535-E540 HydrophobicContact CB-CB 4.2Å; R535-E540 HydrophobicContact CG-CB 3.98Å; R535-E540 PolarHBondContact O-N 3.42Å; T538-E540 PolarHBondContact O-N 3.34Å; T538-E540 WeakPolarHBondContact OG1-CG 3.5Å; T538-E540 PolarHBondContact OG1-N 3.45Å
541	K	87.1	Confident	86.7	Confident	130 Å²	130	72.5 Å²	72.5	57%	0.565	40%	0.397	S	S	*	.			trans	-129.4	73.4	178.1	-74.1	158.2	175	175.4	0	111.1	G539 Y543 A551 F552	G539-K541 PolarHBondContact O-N 3.33Å; K541-Y543 PolarHBondContact O-N 3.34Å; K541-A551 HydrophobicContact CB-CB 3.55Å; K541-A551 HydrophobicContact CD-CB 4.24Å; K541-A551 WeakPolarHBondContact CD-O 3.33Å; K541-A551 HydrophobicContact CG-CB 4.44Å; K541-F552 CarbonylContact C-O 3.56Å; K541-F552 VanDerWaalsContact CA-O 3.28Å; K541-F552 WeakPolarHBondContact CA-O 3.45Å
542	P	87.9	Confident	86.8	Confident	69 Å²	69	71.3 Å²	71.3	45%	0.448	39%	0.389	S	S	.	.			trans	-71.8	4.4	-170.3	-18.5	34	0	0	0	115.6
543	Y	90.1	Very high	86.7	Confident	75 Å²	75	71.3 Å²	71.3	29%	0.294	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	91.9	-175.5	-52.8	-69.4	0	0	0	109.9	K541 F552 K555	K541-Y543 PolarHBondContact O-N 3.34Å; Y543-F552 WeakPolarHBondContact CD2-O 3.49Å; Y543-F552 PolarHBondContact N-O 3.34Å; Y543-F552 PolarHBondContact O-N 3.19Å; Y543-K555 HydrophobicContact CD1-CB 3.96Å; Y543-K555 HydrophobicContact CD1-CG 4.44Å; Y543-K555 HydrophobicContact CD2-CB 4.38Å; Y543-K555 VanDerWaalsContact CD2-N 3.28Å; Y543-K555 HydrophobicContact CE1-CB 3.93Å; Y543-K555 HydrophobicContact CE2-CB 4.33Å; Y543-K555 HydrophobicContact CG-CB 4.19Å
544	E	89.2	Confident	86.6	Confident	125 Å²	125	73.9 Å²	73.9	58%	0.584	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	144.3	179.7	-165.8	173.6	165.4	0	0	112.7	G549 A551 L558	E544-G549 WeakPolarHBondContact OE1-CA 3.4Å; E544-A551 HydrophobicContact CB-CB 4.46Å; E544-A551 HydrophobicContact CG-CB 4.43Å; E544-L558 WeakPolarHBondContact O-CD2 3.42Å
545	C	91.3	Very high	86.6	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	42%	0.421	C	S	.	.			trans	-88.7	108.7	171.9	-170	0	0	0	0	110.4	E547 C548 G549 K550 L558	C545-E547 PolarHBondContact O-N 2.94Å; C545-E547 VanDerWaalsContact O-N 3.09Å; C545-C548 PolarHBondContact O-N 2.9Å; C545-C548 VanDerWaalsContact O-N 3.16Å; C545-G549 WeakPolarHBondContact O-CA 3Å; C545-G549 PolarHBondContact O-N 2.9Å; C545-K550 HydrophobicContact CB-CB 4.45Å; C545-K550 WeakPolarHBondContact CB-O 3.45Å; C545-K550 PolarHBondContact N-O 3.38Å; C545-L558 HydrophobicContact CB-CD1 3.62Å
546	T	88.5	Confident	86.5	Confident	131 Å²	131	78.4 Å²	78.4	80%	0.804	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.9	-179.9	48.5	0	0	0	0	114.3
547	E	86.8	Confident	86.6	Confident	105 Å²	105	75.8 Å²	75.8	49%	0.491	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.1	-177.1	-62.2	167.1	118.4	0	0	113.2	C545 H565	C545-E547 PolarHBondContact O-N 2.94Å; C545-E547 VanDerWaalsContact O-N 3.09Å; E547-H565 IonicContact OE2-CD2 3.81Å; E547-H565 PolarHBondContact OE2-CD2 2.84Å; E547-H565 IonicContact OE2-CG 3.24Å
548	C	87.1	Confident	87	Confident	46 Å²	46	73.1 Å²	73.1	31%	0.311	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156	13.9	-176.7	80.2	0	0	0	0	116.5	C545 K550 H561 H565	C545-C548 PolarHBondContact O-N 2.9Å; C545-C548 VanDerWaalsContact O-N 3.16Å; C548-K550 PolarHBondContact O-N 3.36Å; C548-K550 VanDerWaalsContact SG-CG 3.57Å; C548-H561 PolarHBondContact SG-NE2 2.85Å; C548-H565 WeakPolarHBondContact CB-NE2 3.4Å; C548-H565 PolarHBondContact SG-NE2 3.08Å
549	G	84.4	Confident	87.2	Confident	46 Å²	46	71.4 Å²	71.4	47%	0.474	40%	0.401	S	S	.	.			trans	65	9	178.2	0	0	0	0	0	116	E544 C545 A551	E544-G549 WeakPolarHBondContact OE1-CA 3.4Å; C545-G549 WeakPolarHBondContact O-CA 3Å; C545-G549 PolarHBondContact O-N 2.9Å; G549-A551 PolarHBondContact O-N 2.99Å
550	K	85.7	Confident	87.4	Confident	116 Å²	116	71.3 Å²	71.3	50%	0.504	39%	0.391	S	S	.	.			trans	-80.6	117.5	-177.8	-74.8	177.4	-173.7	163.6	0	110.2	C545 C548 F552	C545-K550 HydrophobicContact CB-CB 4.45Å; C545-K550 WeakPolarHBondContact CB-O 3.45Å; C545-K550 PolarHBondContact N-O 3.38Å; C548-K550 PolarHBondContact O-N 3.36Å; C548-K550 VanDerWaalsContact SG-CG 3.57Å; K550-F552 HydrophobicContact CB-CE2 3.8Å; K550-F552 HydrophobicContact CB-CZ 4.16Å; K550-F552 VanDerWaalsContact O-CD2 3.31Å; K550-F552 WeakPolarHBondContact O-CD2 3.5Å; K550-F552 WeakPolarHBondContact O-CE2 3.37Å
551	A	89	Confident	87.6	Confident	36 Å²	36	67.4 Å²	67.4	30%	0.298	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.6	-179.4	0	0	0	0	0	113.1	K541 E544 G549	K541-A551 HydrophobicContact CB-CB 3.55Å; K541-A551 HydrophobicContact CD-CB 4.24Å; K541-A551 WeakPolarHBondContact CD-O 3.33Å; K541-A551 HydrophobicContact CG-CB 4.44Å; E544-A551 HydrophobicContact CB-CB 4.46Å; E544-A551 HydrophobicContact CG-CB 4.43Å; G549-A551 PolarHBondContact O-N 2.99Å
552	F	87.3	Confident	87.6	Confident	50 Å²	50	64.6 Å²	64.6	22%	0.219	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.8	-175.9	-61.8	-94.6	0	0	0	112.2	K541 Y543 K550 E554 L558 H561	K541-F552 CarbonylContact C-O 3.56Å; K541-F552 VanDerWaalsContact CA-O 3.28Å; K541-F552 WeakPolarHBondContact CA-O 3.45Å; Y543-F552 WeakPolarHBondContact CD2-O 3.49Å; Y543-F552 PolarHBondContact N-O 3.34Å; Y543-F552 PolarHBondContact O-N 3.19Å; K550-F552 HydrophobicContact CB-CE2 3.8Å; K550-F552 HydrophobicContact CB-CZ 4.16Å; K550-F552 VanDerWaalsContact O-CD2 3.31Å; K550-F552 WeakPolarHBondContact O-CD2 3.5Å; K550-F552 WeakPolarHBondContact O-CE2 3.37Å; F552-E554 VanDerWaalsContact C-N 3.31Å; F552-L558 HydrophobicContact CB-CB 4.42Å; F552-L558 HydrophobicContact CD2-CB 4.15Å; F552-L558 HydrophobicContact CD2-CD1 4.01Å; F552-L558 HydrophobicContact CE2-CD1 4.25Å; F552-L558 HydrophobicContact CG-CB 4.42Å; F552-H561 HydrophobicContact CE1-CB 4.21Å; F552-H561 HydrophobicContact CE2-CB 4.07Å; F552-H561 AromaticContact CE2-CD2 3.23Å; F552-H561 WeakPolarHBondContact CE2-CD2 3.06Å; F552-H561 AromaticContact CE2-CG 3.85Å; F552-H561 HydrophobicContact CZ-CB 3.65Å; F552-H561 AromaticContact CZ-CD2 3.29Å; F552-H561 WeakPolarHBondContact CZ-CD2 3.47Å; F552-H561 AromaticContact CZ-CG 3.47Å; F552-H561 VanDerWaalsContact CZ-CG 3.47Å
553	G	84.9	Confident	87.7	Confident	23 Å²	23	64 Å²	64	24%	0.237	35%	0.35	C	S	.	.	S	Bend	trans	-74.8	-16.2	175.2	0	0	0	0	0	114.6	R535	R535-G553 WeakPolarHBondContact CD-O 3.48Å; R535-G553 PolarHBondContact NH1-O 3.07Å
554	E	86.3	Confident	87.5	Confident	78 Å²	78	64.6 Å²	64.6	36%	0.364	36%	0.362	S	S	.	.			trans	-133.6	143	178	-54.3	-165.3	157.5	0	0	113.3	S532 F552 S556 S557 L558	S532-E554 VanDerWaalsContact OG-CG 3.32Å; S532-E554 WeakPolarHBondContact OG-CG 3.49Å; S532-E554 PolarHBondContact OG-OE1 2.8Å; F552-E554 VanDerWaalsContact C-N 3.31Å; E554-S556 VanDerWaalsContact C-N 3.3Å; E554-S556 WeakPolarHBondContact CB-OG 3.48Å; E554-S556 PolarHBondContact O-N 3Å; E554-S556 PolarHBondContact OE2-OG 3.18Å; E554-S557 WeakPolarHBondContact O-CB 3.42Å; E554-S557 PolarHBondContact O-N 2.82Å; E554-L558 PolarHBondContact O-N 2.79Å
555	K	86.4	Confident	87.3	Confident	147 Å²	147	62.8 Å²	62.8	64%	0.639	35%	0.354	S	S	*	.	H	α-helix	trans	-66.6	-30.2	176.2	-173.5	171.4	-178.5	172.2	0	112.9	Y543 A559	Y543-K555 HydrophobicContact CD1-CB 3.96Å; Y543-K555 HydrophobicContact CD1-CG 4.44Å; Y543-K555 HydrophobicContact CD2-CB 4.38Å; Y543-K555 VanDerWaalsContact CD2-N 3.28Å; Y543-K555 HydrophobicContact CE1-CB 3.93Å; Y543-K555 HydrophobicContact CE2-CB 4.33Å; Y543-K555 HydrophobicContact CG-CB 4.19Å; K555-A559 WeakPolarHBondContact O-CB 3.44Å; K555-A559 PolarHBondContact O-N 2.89Å
556	S	85.5	Confident	87	Confident	67 Å²	67	66.6 Å²	66.6	47%	0.469	38%	0.377	S	S	.	.	H	α-helix	trans	-52.6	-53.1	168.5	22.3	0	0	0	0	111	E554 A559 T560	E554-S556 VanDerWaalsContact C-N 3.3Å; E554-S556 WeakPolarHBondContact CB-OG 3.48Å; E554-S556 PolarHBondContact O-N 3Å; E554-S556 PolarHBondContact OE2-OG 3.18Å; S556-A559 PolarHBondContact O-N 3.09Å; S556-T560 PolarHBondContact O-N 2.98Å; S556-T560 PolarHBondContact O-OG1 3.48Å
557	S	87.9	Confident	86.8	Confident	44 Å²	44	62.5 Å²	62.5	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-45.9	-179.1	-56.7	0	0	0	0	111.9	E554 A559 T560 H561	E554-S557 WeakPolarHBondContact O-CB 3.42Å; E554-S557 PolarHBondContact O-N 2.82Å; S557-A559 PolarHBondContact O-N 3.02Å; S557-T560 WeakPolarHBondContact CA-OG1 3.4Å; S557-T560 PolarHBondContact O-N 2.89Å; S557-T560 PolarHBondContact O-OG1 3.36Å; S557-H561 WeakPolarHBondContact O-CB 3.37Å; S557-H561 PolarHBondContact O-N 2.86Å
558	L	90.8	Very high	86.7	Confident	18 Å²	18	62.5 Å²	62.5	9%	0.094	36%	0.36	C	S	.	.	H	α-helix	trans	-57.3	-49.2	173.9	175.5	62	0	0	0	111.5	E544 C545 F552 E554 T560 H561 Q562	E544-L558 WeakPolarHBondContact O-CD2 3.42Å; C545-L558 HydrophobicContact CB-CD1 3.62Å; F552-L558 HydrophobicContact CB-CB 4.42Å; F552-L558 HydrophobicContact CD2-CB 4.15Å; F552-L558 HydrophobicContact CD2-CD1 4.01Å; F552-L558 HydrophobicContact CE2-CD1 4.25Å; F552-L558 HydrophobicContact CG-CB 4.42Å; E554-L558 PolarHBondContact O-N 2.79Å; L558-T560 VanDerWaalsContact C-N 3.28Å; L558-T560 PolarHBondContact O-N 3.24Å; L558-H561 CarbonylContact O-C 3.14Å; L558-H561 WeakPolarHBondContact O-CA 3.47Å; L558-H561 WeakPolarHBondContact O-CB 3.27Å; L558-H561 PolarHBondContact O-N 3.2Å; L558-Q562 HydrophobicContact CD1-CG 4.07Å; L558-Q562 HydrophobicContact CG-CG 4.38Å; L558-Q562 WeakPolarHBondContact O-CG 3.31Å; L558-Q562 PolarHBondContact O-N 3.11Å
559	A	87.5	Confident	86.8	Confident	41 Å²	41	66.1 Å²	66.1	34%	0.339	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-31.9	179.9	0	0	0	0	0	113.1	K555 S556 S557 H561	K555-A559 WeakPolarHBondContact O-CB 3.44Å; K555-A559 PolarHBondContact O-N 2.89Å; S556-A559 PolarHBondContact O-N 3.09Å; S557-A559 PolarHBondContact O-N 3.02Å; A559-H561 VanDerWaalsContact C-N 3.34Å
560	T	87.8	Confident	87	Confident	45 Å²	45	67.2 Å²	67.2	28%	0.276	37%	0.37	S	S	.	.	H	α-helix	trans	-75.4	-21.7	170.8	55.2	0	0	0	0	113.9	S556 S557 L558 Q582	S556-T560 PolarHBondContact O-N 2.98Å; S556-T560 PolarHBondContact O-OG1 3.48Å; S557-T560 WeakPolarHBondContact CA-OG1 3.4Å; S557-T560 PolarHBondContact O-N 2.89Å; S557-T560 PolarHBondContact O-OG1 3.36Å; L558-T560 VanDerWaalsContact C-N 3.28Å; L558-T560 PolarHBondContact O-N 3.24Å; T560-Q582 HydrophobicContact CG2-CG 4.41Å
561	H	88.8	Confident	87.2	Confident	23 Å²	23	65.2 Å²	65.2	11%	0.106	36%	0.36	C	S	.	.	H	α-helix	trans	-82.9	-37.9	176.4	172.6	42	0	0	0	112.6	C548 F552 S557 L558 A559 R563 T564 H565	C548-H561 PolarHBondContact SG-NE2 2.85Å; F552-H561 HydrophobicContact CE1-CB 4.21Å; F552-H561 HydrophobicContact CE2-CB 4.07Å; F552-H561 AromaticContact CE2-CD2 3.23Å; F552-H561 WeakPolarHBondContact CE2-CD2 3.06Å; F552-H561 AromaticContact CE2-CG 3.85Å; F552-H561 HydrophobicContact CZ-CB 3.65Å; F552-H561 AromaticContact CZ-CD2 3.29Å; F552-H561 WeakPolarHBondContact CZ-CD2 3.47Å; F552-H561 AromaticContact CZ-CG 3.47Å; F552-H561 VanDerWaalsContact CZ-CG 3.47Å; S557-H561 WeakPolarHBondContact O-CB 3.37Å; S557-H561 PolarHBondContact O-N 2.86Å; L558-H561 CarbonylContact O-C 3.14Å; L558-H561 WeakPolarHBondContact O-CA 3.47Å; L558-H561 WeakPolarHBondContact O-CB 3.27Å; L558-H561 PolarHBondContact O-N 3.2Å; A559-H561 VanDerWaalsContact C-N 3.34Å; H561-R563 PolarHBondContact O-N 2.9Å; H561-R563 VanDerWaalsContact O-N 3.15Å; H561-T564 PolarHBondContact CE1-OG1 2.67Å; H561-T564 PolarHBondContact ND1-OG1 3.33Å; H561-T564 WeakPolarHBondContact O-CA 3.42Å; H561-T564 WeakPolarHBondContact O-CB 3.47Å; H561-T564 PolarHBondContact O-N 3.11Å; H561-T564 PolarHBondContact O-OG1 3.27Å; H561-H565 AromaticContact CE1-NE2 3.75Å
562	Q	87.1	Confident	87.2	Confident	72 Å²	72	70.7 Å²	70.7	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-56.4	-33.2	177.3	-69.7	174.7	-71.8	0	0	112	L558 T564 H565 T566	L558-Q562 HydrophobicContact CD1-CG 4.07Å; L558-Q562 HydrophobicContact CG-CG 4.38Å; L558-Q562 WeakPolarHBondContact O-CG 3.31Å; L558-Q562 PolarHBondContact O-N 3.11Å; Q562-T564 PolarHBondContact O-N 2.86Å; Q562-T564 VanDerWaalsContact O-N 3.09Å; Q562-H565 PolarHBondContact O-N 3.11Å; Q562-T566 PolarHBondContact O-N 3.05Å; Q562-T566 VanDerWaalsContact O-N 3.14Å
563	R	89.4	Confident	87.3	Confident	56 Å²	56	69 Å²	69	21%	0.211	37%	0.373	C	S	.	.	H	α-helix	trans	-59.7	-17.1	170.4	-63.4	-168.7	-175.8	126	15	115.5	H561 H565 G567 E568 S581	H561-R563 PolarHBondContact O-N 2.9Å; H561-R563 VanDerWaalsContact O-N 3.15Å; R563-H565 VanDerWaalsContact C-N 3.34Å; R563-G567 CarbonylContact O-C 3.33Å; R563-G567 WeakPolarHBondContact O-CA 3.27Å; R563-G567 PolarHBondContact O-N 2.99Å; R563-G567 VanDerWaalsContact O-N 3.11Å; R563-E568 HydrophobicContact CB-CB 4.16Å; R563-E568 HydrophobicContact CG-CB 3.93Å; R563-E568 IonicContact NE-OE2 2.98Å; R563-E568 PolarHBondContact O-N 3.01Å; R563-S581 PolarHBondContact NH1-O 3.48Å
564	T	86.9	Confident	87.5	Confident	88 Å²	88	79.2 Å²	79.2	54%	0.54	41%	0.405	S	S	.	.	H	α-helix	trans	-81.5	-15.4	173.8	67.9	0	0	0	0	113	H561 Q562	H561-T564 PolarHBondContact CE1-OG1 2.67Å; H561-T564 PolarHBondContact ND1-OG1 3.33Å; H561-T564 WeakPolarHBondContact O-CA 3.42Å; H561-T564 WeakPolarHBondContact O-CB 3.47Å; H561-T564 PolarHBondContact O-N 3.11Å; H561-T564 PolarHBondContact O-OG1 3.27Å; Q562-T564 PolarHBondContact O-N 2.86Å; Q562-T564 VanDerWaalsContact O-N 3.09Å
565	H	85.1	Confident	87.4	Confident	87 Å²	87	80 Å²	80	40%	0.403	41%	0.411	S	S	.	.	H	α-helix	trans	-93.7	-49.3	172.3	-56.2	-57	0	0	0	110.9	E547 C548 H561 Q562 R563 G567	E547-H565 IonicContact OE2-CD2 3.81Å; E547-H565 PolarHBondContact OE2-CD2 2.84Å; E547-H565 IonicContact OE2-CG 3.24Å; C548-H565 WeakPolarHBondContact CB-NE2 3.4Å; C548-H565 PolarHBondContact SG-NE2 3.08Å; H561-H565 AromaticContact CE1-NE2 3.75Å; Q562-H565 PolarHBondContact O-N 3.11Å; R563-H565 VanDerWaalsContact C-N 3.34Å; H565-G567 PolarHBondContact O-N 3.04Å
566	T	84.6	Confident	87.6	Confident	80 Å²	80	75 Å²	75	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-72	-13.1	177.6	64.9	0	0	0	0	113.9	Q562 E568	Q562-T566 PolarHBondContact O-N 3.05Å; Q562-T566 VanDerWaalsContact O-N 3.14Å; T566-E568 PolarHBondContact O-N 2.93Å; T566-E568 WeakPolarHBondContact OG1-CG 3.4Å; T566-E568 PolarHBondContact OG1-N 3.44Å
567	G	83.6	Confident	87.5	Confident	45 Å²	45	81.5 Å²	81.5	46%	0.464	42%	0.417	S	S	.	.			trans	72.9	0.2	-176.1	0	0	0	0	0	114.8	R563 H565 K569	R563-G567 CarbonylContact O-C 3.33Å; R563-G567 WeakPolarHBondContact O-CA 3.27Å; R563-G567 PolarHBondContact O-N 2.99Å; R563-G567 VanDerWaalsContact O-N 3.11Å; H565-G567 PolarHBondContact O-N 3.04Å; G567-K569 PolarHBondContact O-N 3.28Å
568	E	85.4	Confident	87.5	Confident	104 Å²	104	85.3 Å²	85.3	49%	0.486	43%	0.428	S	S	.	.			trans	-52.6	127.1	-176.8	-86.4	-179.4	-155.7	0	0	113.4	R563 T566 P570 S581	R563-E568 HydrophobicContact CB-CB 4.16Å; R563-E568 HydrophobicContact CG-CB 3.93Å; R563-E568 IonicContact NE-OE2 2.98Å; R563-E568 PolarHBondContact O-N 3.01Å; T566-E568 PolarHBondContact O-N 2.93Å; T566-E568 WeakPolarHBondContact OG1-CG 3.4Å; T566-E568 PolarHBondContact OG1-N 3.44Å; E568-P570 HydrophobicContact CB-CG 4.45Å; E568-S581 WeakPolarHBondContact O-CB 3.48Å
569	K	88.3	Confident	87.4	Confident	123 Å²	123	85.9 Å²	85.9	54%	0.535	44%	0.435	S	S	.	.			trans	-127.8	70	176.6	-71.9	158.7	176.2	176.9	0	111.7	G567 Y571 A579 F580	G567-K569 PolarHBondContact O-N 3.28Å; K569-Y571 PolarHBondContact O-N 3.13Å; K569-A579 HydrophobicContact CB-CB 3.56Å; K569-A579 HydrophobicContact CD-CB 4.17Å; K569-A579 WeakPolarHBondContact CD-O 3.49Å; K569-A579 HydrophobicContact CG-CB 4.42Å; K569-F580 CarbonylContact C-O 3.52Å; K569-F580 WeakPolarHBondContact CA-O 3.36Å
570	P	88.6	Confident	87.5	Confident	69 Å²	69	85.9 Å²	85.9	45%	0.448	43%	0.428	S	S	.	.			trans	-71.1	11.1	-171.1	-17.6	33.6	0	0	0	115.5	E568	E568-P570 HydrophobicContact CB-CG 4.45Å
571	Y	90.4	Very high	87.4	Confident	74 Å²	74	84.8 Å²	84.8	29%	0.29	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	78.7	-177	-55.5	-73.7	0	0	0	109.2	K569 F580 Q582 K583	K569-Y571 PolarHBondContact O-N 3.13Å; Y571-F580 WeakPolarHBondContact CB-O 3.43Å; Y571-F580 WeakPolarHBondContact CD2-O 3.38Å; Y571-F580 PolarHBondContact N-O 3.48Å; Y571-F580 PolarHBondContact O-N 3.42Å; Y571-Q582 VanDerWaalsContact CD2-C 3.43Å; Y571-K583 HydrophobicContact CD1-CB 3.74Å; Y571-K583 HydrophobicContact CD1-CG 4.19Å; Y571-K583 HydrophobicContact CE1-CB 3.67Å; Y571-K583 HydrophobicContact CE1-CD 4.36Å; Y571-K583 HydrophobicContact CE1-CG 4.32Å; Y571-K583 HydrophobicContact CE2-CB 4.47Å; Y571-K583 HydrophobicContact CG-CB 4.18Å
572	E	88.1	Confident	87.4	Confident	151 Å²	151	86.8 Å²	86.8	71%	0.706	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	142.2	175.2	-70.7	164.2	-174.7	0	0	111.4	A579 L586	E572-A579 HydrophobicContact CG-CB 3.78Å; E572-L586 WeakPolarHBondContact O-CD2 3.36Å
573	C	90.5	Very high	87.4	Confident	13 Å²	13	89.3 Å²	89.3	9%	0.088	44%	0.441	C	S	.	.			trans	-81	144.5	167.2	-164.8	0	0	0	0	109.8	C576 K578 L586	C573-C576 WeakPolarHBondContact CB-O 3.47Å; C573-C576 VanDerWaalsContact O-O 3.12Å; C573-K578 VanDerWaalsContact CB-O 3.26Å; C573-K578 WeakPolarHBondContact CB-O 3.29Å; C573-K578 PolarHBondContact N-O 2.97Å; C573-L586 HydrophobicContact CB-CD1 3.76Å
574	R	87.9	Confident	87.2	Confident	239 Å²	239	89.9 Å²	89.9	90%	0.902	45%	0.454	S	S	*	.	S	Bend	trans	-85.2	-23.1	176.1	-70.1	-176.9	172	-171.4	-6.1	112.4
575	D	85.5	Confident	87.2	Confident	94 Å²	94	89 Å²	89	50%	0.503	44%	0.444	S	S	.	.	S	Bend	trans	-100.3	-6.8	-168.7	-34.2	-71.8	0	0	0	111.8	H593	D575-H593 HydrophobicContact CB-CB 4.23Å; D575-H593 IonicContact OD2-CD2 3.97Å
576	C	89.8	Confident	87.5	Confident	42 Å²	42	85.7 Å²	85.7	28%	0.284	43%	0.429	S	S	.	.	S	Bend	trans	-164.5	168.1	163.4	69	0	0	0	0	111.8	C573 K578 H589 H593	C573-C576 WeakPolarHBondContact CB-O 3.47Å; C573-C576 VanDerWaalsContact O-O 3.12Å; C576-K578 PolarHBondContact O-N 2.81Å; C576-H589 PolarHBondContact SG-NE2 3.31Å; C576-H593 PolarHBondContact SG-NE2 2.83Å; C576-H593 VanDerWaalsContact SG-NE2 3.37Å
577	E	84.6	Confident	87.5	Confident	203 Å²	203	85.6 Å²	85.6	95%	0.949	43%	0.425	S	S	*	.	S	Bend	trans	-63.3	12.6	-177	-58	169.2	177.7	0	0	116.1	A579	E577-A579 PolarHBondContact O-N 3.03Å
578	K	86.1	Confident	87.6	Confident	125 Å²	125	85.5 Å²	85.5	54%	0.543	42%	0.415	S	S	.	.			trans	-88.9	113.2	-175	-69.2	180	-177.2	171.6	0	111.6	C573 C576 F580	C573-K578 VanDerWaalsContact CB-O 3.26Å; C573-K578 WeakPolarHBondContact CB-O 3.29Å; C573-K578 PolarHBondContact N-O 2.97Å; C576-K578 PolarHBondContact O-N 2.81Å; K578-F580 HydrophobicContact CB-CE2 3.77Å; K578-F580 HydrophobicContact CB-CZ 3.95Å; K578-F580 VanDerWaalsContact O-CE2 3.25Å; K578-F580 WeakPolarHBondContact O-CE2 3.31Å
579	A	89.5	Confident	87.7	Confident	29 Å²	29	81.2 Å²	81.2	24%	0.24	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	144.8	173.3	0	0	0	0	0	112.7	K569 E572 E577	K569-A579 HydrophobicContact CB-CB 3.56Å; K569-A579 HydrophobicContact CD-CB 4.17Å; K569-A579 WeakPolarHBondContact CD-O 3.49Å; K569-A579 HydrophobicContact CG-CB 4.42Å; E572-A579 HydrophobicContact CG-CB 3.78Å; E577-A579 PolarHBondContact O-N 3.03Å
580	F	89.3	Confident	87.5	Confident	41 Å²	41	78.5 Å²	78.5	18%	0.18	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.8	-174.7	-60.1	-91.9	0	0	0	112.3	K569 Y571 K578 Q585 L586 H589	K569-F580 CarbonylContact C-O 3.52Å; K569-F580 WeakPolarHBondContact CA-O 3.36Å; Y571-F580 WeakPolarHBondContact CB-O 3.43Å; Y571-F580 WeakPolarHBondContact CD2-O 3.38Å; Y571-F580 PolarHBondContact N-O 3.48Å; Y571-F580 PolarHBondContact O-N 3.42Å; K578-F580 HydrophobicContact CB-CE2 3.77Å; K578-F580 HydrophobicContact CB-CZ 3.95Å; K578-F580 VanDerWaalsContact O-CE2 3.25Å; K578-F580 WeakPolarHBondContact O-CE2 3.31Å; F580-Q585 HydrophobicContact CB-CB 4.05Å; F580-Q585 HydrophobicContact CD1-CB 3.65Å; F580-Q585 HydrophobicContact CE1-CB 4.49Å; F580-Q585 HydrophobicContact CG-CB 4.07Å; F580-L586 HydrophobicContact CB-CB 4.49Å; F580-L586 HydrophobicContact CD2-CB 4.12Å; F580-L586 HydrophobicContact CD2-CD1 4.14Å; F580-L586 HydrophobicContact CE2-CD1 4.38Å; F580-L586 HydrophobicContact CG-CB 4.49Å; F580-H589 HydrophobicContact CE1-CB 4.16Å; F580-H589 HydrophobicContact CE2-CB 3.89Å; F580-H589 AromaticContact CE2-CD2 3.26Å; F580-H589 WeakPolarHBondContact CE2-CD2 3.38Å; F580-H589 AromaticContact CE2-CG 3.68Å; F580-H589 HydrophobicContact CZ-CB 3.53Å; F580-H589 AromaticContact CZ-CD2 3.44Å; F580-H589 VanDerWaalsContact CZ-CD2 3.44Å; F580-H589 WeakPolarHBondContact CZ-CD2 3.21Å; F580-H589 AromaticContact CZ-CG 3.4Å
581	S	87	Confident	87.4	Confident	23 Å²	23	77.8 Å²	77.8	16%	0.161	37%	0.373	C	S	.	.	S	Bend	trans	-84.3	-10	178.5	62.6	0	0	0	0	113.7	R563 E568	R563-S581 PolarHBondContact NH1-O 3.48Å; E568-S581 WeakPolarHBondContact O-CB 3.48Å
582	Q	87.9	Confident	87.1	Confident	65 Å²	65	79.3 Å²	79.3	30%	0.304	39%	0.385	S	S	.	.	S	Bend	trans	-136.8	136.6	177.4	-53.3	-176.8	6.2	0	0	112.1	T560 Y571 S584 Q585 L586	T560-Q582 HydrophobicContact CG2-CG 4.41Å; Y571-Q582 VanDerWaalsContact CD2-C 3.43Å; Q582-S584 WeakPolarHBondContact CB-OG 3.33Å; Q582-S584 PolarHBondContact O-N 3.24Å; Q582-S584 PolarHBondContact OE1-OG 3.28Å; Q582-Q585 HydrophobicContact CB-CG 4.14Å; Q582-Q585 WeakPolarHBondContact O-CB 3.45Å; Q582-Q585 PolarHBondContact O-N 3.07Å; Q582-L586 PolarHBondContact O-N 3.41Å
583	K	87.3	Confident	86.9	Confident	125 Å²	125	75.9 Å²	75.9	54%	0.543	37%	0.369	S	S	.	.	H	α-helix	trans	-59.7	-31.1	177.7	-171.6	167.1	-178.3	171.9	0	113.6	Y571 Q585 L586 N587	Y571-K583 HydrophobicContact CD1-CB 3.74Å; Y571-K583 HydrophobicContact CD1-CG 4.19Å; Y571-K583 HydrophobicContact CE1-CB 3.67Å; Y571-K583 HydrophobicContact CE1-CD 4.36Å; Y571-K583 HydrophobicContact CE1-CG 4.32Å; Y571-K583 HydrophobicContact CE2-CB 4.47Å; Y571-K583 HydrophobicContact CG-CB 4.18Å; K583-Q585 VanDerWaalsContact C-N 3.28Å; K583-Q585 PolarHBondContact O-N 3.09Å; K583-L586 PolarHBondContact O-N 3.12Å; K583-N587 WeakPolarHBondContact O-CB 3.39Å; K583-N587 PolarHBondContact O-N 3.26Å; K583-N587 PolarHBondContact O-OD1 3.37Å; K583-N587 VanDerWaalsContact O-OD1 3.08Å
584	S	85.2	Confident	86.5	Confident	67 Å²	67	79.5 Å²	79.5	47%	0.469	39%	0.391	S	S	.	.	H	α-helix	trans	-56.4	-41.5	173.7	42.3	0	0	0	0	112.5	Q582 N587 T588	Q582-S584 WeakPolarHBondContact CB-OG 3.33Å; Q582-S584 PolarHBondContact O-N 3.24Å; Q582-S584 PolarHBondContact OE1-OG 3.28Å; S584-N587 PolarHBondContact O-N 2.96Å; S584-T588 PolarHBondContact O-N 3.15Å; S584-T588 VanDerWaalsContact O-N 3.07Å; S584-T588 PolarHBondContact O-OG1 2.82Å
585	Q	87.6	Confident	86.2	Confident	70 Å²	70	70.1 Å²	70.1	33%	0.327	37%	0.369	S	S	.	.	H	α-helix	trans	-73.3	-39.1	-179.8	-60.6	166.6	-7.6	0	0	111.6	F580 Q582 K583 T588 H589	F580-Q585 HydrophobicContact CB-CB 4.05Å; F580-Q585 HydrophobicContact CD1-CB 3.65Å; F580-Q585 HydrophobicContact CE1-CB 4.49Å; F580-Q585 HydrophobicContact CG-CB 4.07Å; Q582-Q585 HydrophobicContact CB-CG 4.14Å; Q582-Q585 WeakPolarHBondContact O-CB 3.45Å; Q582-Q585 PolarHBondContact O-N 3.07Å; K583-Q585 VanDerWaalsContact C-N 3.28Å; K583-Q585 PolarHBondContact O-N 3.09Å; Q585-T588 PolarHBondContact O-N 3.45Å; Q585-T588 PolarHBondContact O-OG1 3.01Å; Q585-H589 VanDerWaalsContact O-CB 3.24Å; Q585-H589 WeakPolarHBondContact O-CB 3.47Å; Q585-H589 PolarHBondContact O-N 3.27Å
586	L	89.5	Confident	86.1	Confident	17 Å²	17	71 Å²	71	9%	0.089	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-48.8	170.8	174.6	60.9	0	0	0	110.5	E572 C573 F580 Q582 K583 T588 H589 Q590	E572-L586 WeakPolarHBondContact O-CD2 3.36Å; C573-L586 HydrophobicContact CB-CD1 3.76Å; F580-L586 HydrophobicContact CB-CB 4.49Å; F580-L586 HydrophobicContact CD2-CB 4.12Å; F580-L586 HydrophobicContact CD2-CD1 4.14Å; F580-L586 HydrophobicContact CE2-CD1 4.38Å; F580-L586 HydrophobicContact CG-CB 4.49Å; Q582-L586 PolarHBondContact O-N 3.41Å; K583-L586 PolarHBondContact O-N 3.12Å; L586-T588 VanDerWaalsContact C-N 3.32Å; L586-T588 PolarHBondContact O-N 2.61Å; L586-H589 WeakPolarHBondContact O-CB 3.46Å; L586-H589 PolarHBondContact O-N 3.18Å; L586-H589 VanDerWaalsContact O-N 3.12Å; L586-Q590 HydrophobicContact CD1-CG 3.94Å; L586-Q590 HydrophobicContact CG-CG 4.36Å; L586-Q590 WeakPolarHBondContact O-CG 3.24Å; L586-Q590 PolarHBondContact O-N 3.32Å
587	N	85.8	Confident	85.9	Confident	79 Å²	79	73.8 Å²	73.8	42%	0.422	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-34.9	179.2	-77.4	31	0	0	0	113.3	K583 S584	K583-N587 WeakPolarHBondContact O-CB 3.39Å; K583-N587 PolarHBondContact O-N 3.26Å; K583-N587 PolarHBondContact O-OD1 3.37Å; K583-N587 VanDerWaalsContact O-OD1 3.08Å; S584-N587 PolarHBondContact O-N 2.96Å
588	T	84.8	Confident	86	Confident	42 Å²	42	67.7 Å²	67.7	26%	0.258	36%	0.355	S	S	.	.	H	α-helix	trans	-79.1	-33.2	173.5	55.7	0	0	0	0	112.3	S584 Q585 L586 R591 E610	S584-T588 PolarHBondContact O-N 3.15Å; S584-T588 VanDerWaalsContact O-N 3.07Å; S584-T588 PolarHBondContact O-OG1 2.82Å; Q585-T588 PolarHBondContact O-N 3.45Å; Q585-T588 PolarHBondContact O-OG1 3.01Å; L586-T588 VanDerWaalsContact C-N 3.32Å; L586-T588 PolarHBondContact O-N 2.61Å; T588-R591 WeakPolarHBondContact O-CB 3.42Å; T588-R591 PolarHBondContact O-N 2.69Å; T588-E610 HydrophobicContact CG2-CG 4.27Å
589	H	87.4	Confident	86.1	Confident	15 Å²	15	65.1 Å²	65.1	7%	0.069	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-42.2	173.9	170.9	44.1	0	0	0	112.9	C576 F580 Q585 L586 R591 I592 H593	C576-H589 PolarHBondContact SG-NE2 3.31Å; F580-H589 HydrophobicContact CE1-CB 4.16Å; F580-H589 HydrophobicContact CE2-CB 3.89Å; F580-H589 AromaticContact CE2-CD2 3.26Å; F580-H589 WeakPolarHBondContact CE2-CD2 3.38Å; F580-H589 AromaticContact CE2-CG 3.68Å; F580-H589 HydrophobicContact CZ-CB 3.53Å; F580-H589 AromaticContact CZ-CD2 3.44Å; F580-H589 VanDerWaalsContact CZ-CD2 3.44Å; F580-H589 WeakPolarHBondContact CZ-CD2 3.21Å; F580-H589 AromaticContact CZ-CG 3.4Å; Q585-H589 VanDerWaalsContact O-CB 3.24Å; Q585-H589 WeakPolarHBondContact O-CB 3.47Å; Q585-H589 PolarHBondContact O-N 3.27Å; L586-H589 WeakPolarHBondContact O-CB 3.46Å; L586-H589 PolarHBondContact O-N 3.18Å; L586-H589 VanDerWaalsContact O-N 3.12Å; H589-R591 PolarHBondContact O-N 3Å; H589-R591 VanDerWaalsContact O-N 3.1Å; H589-I592 VanDerWaalsContact O-CB 3.25Å; H589-I592 WeakPolarHBondContact O-CB 3.32Å; H589-I592 WeakPolarHBondContact O-CG1 3.34Å; H589-I592 PolarHBondContact O-N 3.38Å; H589-H593 AromaticContact CE1-CD2 3.96Å; H589-H593 AromaticContact CE1-NE2 3.41Å; H589-H593 PolarHBondContact CE1-NE2 3.25Å; H589-H593 AromaticContact NE2-CD2 3.87Å; H589-H593 AromaticContact NE2-NE2 3.27Å; H589-H593 PolarHBondContact NE2-NE2 3.02Å
590	Q	85.4	Confident	86	Confident	66 Å²	66	69 Å²	69	31%	0.308	36%	0.355	S	S	.	.	H	α-helix	trans	-58.4	-26	-179.4	-74.9	-178.3	-67.9	0	0	113.2	L586 I592 H593 T594	L586-Q590 HydrophobicContact CD1-CG 3.94Å; L586-Q590 HydrophobicContact CG-CG 4.36Å; L586-Q590 WeakPolarHBondContact O-CG 3.24Å; L586-Q590 PolarHBondContact O-N 3.32Å; Q590-I592 PolarHBondContact O-N 3.29Å; Q590-H593 WeakPolarHBondContact O-CB 3.43Å; Q590-H593 PolarHBondContact O-N 3.31Å; Q590-T594 PolarHBondContact O-N 3.41Å; Q590-T594 VanDerWaalsContact O-N 3.08Å
591	R	85.8	Confident	86.1	Confident	54 Å²	54	67 Å²	67	20%	0.204	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-21.3	172.9	-63.1	-172.8	178.7	132.7	12	114.2	T588 H589 H593 T594 G595 E596 F609	T588-R591 WeakPolarHBondContact O-CB 3.42Å; T588-R591 PolarHBondContact O-N 2.69Å; H589-R591 PolarHBondContact O-N 3Å; H589-R591 VanDerWaalsContact O-N 3.1Å; R591-H593 VanDerWaalsContact C-N 3.28Å; R591-T594 WeakPolarHBondContact CA-OG1 3.36Å; R591-G595 CarbonylContact O-C 3.41Å; R591-G595 WeakPolarHBondContact O-CA 3.3Å; R591-G595 PolarHBondContact O-N 3.35Å; R591-E596 HydrophobicContact CG-CB 4.37Å; R591-E596 PolarHBondContact O-N 3.27Å; R591-F609 HydrophobicContact CB-CD1 3.84Å; R591-F609 HydrophobicContact CB-CE1 4.44Å; R591-F609 PolarHBondContact NH1-O 3.08Å; R591-F609 VanDerWaalsContact O-CE1 3.29Å; R591-F609 WeakPolarHBondContact O-CE1 3.44Å
592	I	84.1	Confident	86.1	Confident	105 Å²	105	70.9 Å²	70.9	54%	0.538	37%	0.374	S	S	.	.	H	α-helix	trans	-68.6	-33.7	173.7	-57.3	179.7	0	0	0	110.1	H589 Q590	H589-I592 VanDerWaalsContact O-CB 3.25Å; H589-I592 WeakPolarHBondContact O-CB 3.32Å; H589-I592 WeakPolarHBondContact O-CG1 3.34Å; H589-I592 PolarHBondContact O-N 3.38Å; Q590-I592 PolarHBondContact O-N 3.29Å
593	H	84.1	Confident	86	Confident	79 Å²	79	73.1 Å²	73.1	37%	0.366	39%	0.387	S	S	.	.	H	α-helix	trans	-82.3	-42	178.8	-61.2	-62.6	0	0	0	112.3	D575 C576 H589 Q590 R591 G595	D575-H593 HydrophobicContact CB-CB 4.23Å; D575-H593 IonicContact OD2-CD2 3.97Å; C576-H593 PolarHBondContact SG-NE2 2.83Å; C576-H593 VanDerWaalsContact SG-NE2 3.37Å; H589-H593 AromaticContact CE1-CD2 3.96Å; H589-H593 AromaticContact CE1-NE2 3.41Å; H589-H593 PolarHBondContact CE1-NE2 3.25Å; H589-H593 AromaticContact NE2-CD2 3.87Å; H589-H593 AromaticContact NE2-NE2 3.27Å; H589-H593 PolarHBondContact NE2-NE2 3.02Å; Q590-H593 WeakPolarHBondContact O-CB 3.43Å; Q590-H593 PolarHBondContact O-N 3.31Å; R591-H593 VanDerWaalsContact C-N 3.28Å; H593-G595 VanDerWaalsContact C-N 3.28Å; H593-G595 PolarHBondContact O-N 3.2Å
594	T	83	Confident	86.1	Confident	89 Å²	89	69.5 Å²	69.5	55%	0.546	38%	0.378	S	S	.	.	H	α-helix	trans	-76.8	-13.5	175.7	63.9	0	0	0	0	113.6	Q590 R591 E596	Q590-T594 PolarHBondContact O-N 3.41Å; Q590-T594 VanDerWaalsContact O-N 3.08Å; R591-T594 WeakPolarHBondContact CA-OG1 3.36Å; T594-E596 PolarHBondContact O-N 3.26Å; T594-E596 WeakPolarHBondContact OG1-CB 3.49Å; T594-E596 WeakPolarHBondContact OG1-CG 3.48Å; T594-E596 PolarHBondContact OG1-N 3.27Å
595	G	81.4	Confident	86.1	Confident	43 Å²	43	76 Å²	76	44%	0.443	39%	0.392	S	S	.	.			trans	71.7	-3.4	-174.2	0	0	0	0	0	114.9	R591 H593 K597	R591-G595 CarbonylContact O-C 3.41Å; R591-G595 WeakPolarHBondContact O-CA 3.3Å; R591-G595 PolarHBondContact O-N 3.35Å; H593-G595 VanDerWaalsContact C-N 3.28Å; H593-G595 PolarHBondContact O-N 3.2Å; G595-K597 PolarHBondContact O-N 3.11Å
596	E	82.2	Confident	86	Confident	111 Å²	111	79 Å²	79	52%	0.519	40%	0.404	S	S	.	.			trans	-57.7	124.4	-176.1	-77.4	-179.7	-179.3	0	0	112.6	R591 T594 P598 F609	R591-E596 HydrophobicContact CG-CB 4.37Å; R591-E596 PolarHBondContact O-N 3.27Å; T594-E596 PolarHBondContact O-N 3.26Å; T594-E596 WeakPolarHBondContact OG1-CB 3.49Å; T594-E596 WeakPolarHBondContact OG1-CG 3.48Å; T594-E596 PolarHBondContact OG1-N 3.27Å; E596-P598 WeakPolarHBondContact O-CD 3.44Å; E596-F609 WeakPolarHBondContact O-CD1 3.28Å
597	K	85.4	Confident	86	Confident	102 Å²	102	80 Å²	80	44%	0.443	41%	0.414	S	S	.	.			trans	-124	78.3	175.6	-70.9	162.7	-179	173.5	0	110.5	G595 Y599 A607 F608 F609	G595-K597 PolarHBondContact O-N 3.11Å; K597-Y599 PolarHBondContact O-N 3.26Å; K597-A607 HydrophobicContact CB-CB 3.54Å; K597-A607 HydrophobicContact CD-CB 4.27Å; K597-A607 HydrophobicContact CG-CB 4.5Å; K597-F608 CarbonylContact C-O 3.23Å; K597-F608 VanDerWaalsContact CA-O 3.31Å; K597-F608 WeakPolarHBondContact CA-O 3.5Å; K597-F609 HydrophobicContact CD-CE1 4.3Å; K597-F609 HydrophobicContact CD-CZ 4.29Å; K597-F609 HydrophobicContact CG-CD1 3.71Å; K597-F609 HydrophobicContact CG-CE1 3.6Å; K597-F609 HydrophobicContact CG-CE2 4.49Å; K597-F609 HydrophobicContact CG-CG 4.22Å; K597-F609 HydrophobicContact CG-CZ 4.05Å
598	P	86.6	Confident	86.1	Confident	74 Å²	74	78 Å²	78	48%	0.481	40%	0.402	S	S	.	.			trans	-68	-1.9	-171.1	-20.7	34.2	0	0	0	115.6	E596	E596-P598 WeakPolarHBondContact O-CD 3.44Å
599	Y	88.3	Confident	86	Confident	71 Å²	71	78.7 Å²	78.7	28%	0.278	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	82.8	-172.9	-56.6	-71.8	0	0	0	110.5	K597 A607 F608 K611	K597-Y599 PolarHBondContact O-N 3.26Å; Y599-A607 WeakPolarHBondContact O-CA 3.38Å; Y599-F608 PolarHBondContact N-O 3.43Å; Y599-F608 PolarHBondContact O-N 3.44Å; Y599-K611 HydrophobicContact CD1-CB 3.85Å; Y599-K611 HydrophobicContact CD1-CG 4.25Å; Y599-K611 HydrophobicContact CE1-CB 3.7Å; Y599-K611 HydrophobicContact CE1-CD 4.47Å; Y599-K611 HydrophobicContact CE1-CG 4.27Å; Y599-K611 HydrophobicContact CE2-CB 4.49Å; Y599-K611 HydrophobicContact CG-CB 4.31Å
600	E	88.8	Confident	85.9	Confident	110 Å²	110	81.6 Å²	81.6	51%	0.514	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	141.1	176.5	-164.8	-179.9	155.6	0	0	112.7	R605 A607 L614	E600-R605 VanDerWaalsContact OE1-CA 3.32Å; E600-R605 WeakPolarHBondContact OE1-CA 3.45Å; E600-R605 WeakPolarHBondContact OE1-CB 3.28Å; E600-R605 VanDerWaalsContact OE1-CG 3.22Å; E600-R605 WeakPolarHBondContact OE1-CG 3.14Å; E600-A607 HydrophobicContact CB-CB 4.44Å; E600-A607 HydrophobicContact CG-CB 4.49Å; E600-L614 WeakPolarHBondContact O-CD2 3.09Å
601	C	90.2	Very high	85.9	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	43%	0.427	C	S	.	.			trans	-85.8	108.9	170.5	-177.6	0	0	0	0	111.2	L603 C604 R605 K606 F608 L614 H617	C601-L603 PolarHBondContact O-N 3.16Å; C601-C604 PolarHBondContact O-N 3.35Å; C601-C604 VanDerWaalsContact O-N 3.16Å; C601-R605 VanDerWaalsContact O-CA 3.31Å; C601-R605 WeakPolarHBondContact O-CA 3.35Å; C601-R605 PolarHBondContact O-N 2.91Å; C601-K606 VanDerWaalsContact CB-O 3.24Å; C601-K606 WeakPolarHBondContact CB-O 3.45Å; C601-K606 PolarHBondContact N-O 3.17Å; C601-F608 HydrophobicContact CB-CE2 4.43Å; C601-L614 HydrophobicContact CB-CD1 3.66Å; C601-H617 PolarHBondContact SG-CD2 3.46Å; C601-H617 PolarHBondContact SG-NE2 2.63Å; C601-H617 VanDerWaalsContact SG-NE2 3.37Å
602	S	87.6	Confident	85.9	Confident	105 Å²	105	85.1 Å²	85.1	73%	0.734	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.5	178.7	52.1	0	0	0	0	114.7
603	L	86.6	Confident	86.1	Confident	111 Å²	111	82.8 Å²	82.8	58%	0.581	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-20.9	-176.2	-63.1	179.3	0	0	0	114.7	C601 H621	C601-L603 PolarHBondContact O-N 3.16Å; L603-H621 HydrophobicContact CD1-CB 3.52Å
604	C	88.6	Confident	86.3	Confident	50 Å²	50	80.1 Å²	80.1	34%	0.338	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	14.9	-178.3	73.6	0	0	0	0	115.5	C601 K606 H617 H621	C601-C604 PolarHBondContact O-N 3.35Å; C601-C604 VanDerWaalsContact O-N 3.16Å; C604-K606 PolarHBondContact O-N 2.75Å; C604-H617 PolarHBondContact SG-NE2 3.11Å; C604-H621 PolarHBondContact SG-NE2 3.04Å
605	R	86.1	Confident	86.5	Confident	204 Å²	204	79.8 Å²	79.8	77%	0.77	41%	0.407	S	S	*	.			trans	53	16.9	178.3	-54.5	-163.4	-176.3	163.9	0.8	116.2	E600 C601 A607	E600-R605 VanDerWaalsContact OE1-CA 3.32Å; E600-R605 WeakPolarHBondContact OE1-CA 3.45Å; E600-R605 WeakPolarHBondContact OE1-CB 3.28Å; E600-R605 VanDerWaalsContact OE1-CG 3.22Å; E600-R605 WeakPolarHBondContact OE1-CG 3.14Å; C601-R605 VanDerWaalsContact O-CA 3.31Å; C601-R605 WeakPolarHBondContact O-CA 3.35Å; C601-R605 PolarHBondContact O-N 2.91Å; R605-A607 PolarHBondContact O-N 3.17Å
606	K	85.4	Confident	86.8	Confident	133 Å²	133	82.5 Å²	82.5	58%	0.578	40%	0.404	S	S	*	.			trans	-76.2	119.8	172.2	-71.2	-173.4	177.8	-178.2	0	109.5	C601 C604 F608	C601-K606 VanDerWaalsContact CB-O 3.24Å; C601-K606 WeakPolarHBondContact CB-O 3.45Å; C601-K606 PolarHBondContact N-O 3.17Å; C604-K606 PolarHBondContact O-N 2.75Å; K606-F608 HydrophobicContact CB-CE2 4.01Å; K606-F608 HydrophobicContact CB-CZ 4.17Å; K606-F608 WeakPolarHBondContact O-CD2 3.4Å; K606-F608 WeakPolarHBondContact O-CE2 3.28Å
607	A	88.7	Confident	87.1	Confident	36 Å²	36	78.4 Å²	78.4	30%	0.298	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145.5	-179.5	0	0	0	0	0	112.5	K597 Y599 E600 R605	K597-A607 HydrophobicContact CB-CB 3.54Å; K597-A607 HydrophobicContact CD-CB 4.27Å; K597-A607 HydrophobicContact CG-CB 4.5Å; Y599-A607 WeakPolarHBondContact O-CA 3.38Å; E600-A607 HydrophobicContact CB-CB 4.44Å; E600-A607 HydrophobicContact CG-CB 4.49Å; R605-A607 PolarHBondContact O-N 3.17Å
608	F	87.1	Confident	87.2	Confident	39 Å²	39	76.1 Å²	76.1	17%	0.171	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.1	-174	-62.8	-87.3	0	0	0	112.5	K597 Y599 C601 K606 E613 L614 H617	K597-F608 CarbonylContact C-O 3.23Å; K597-F608 VanDerWaalsContact CA-O 3.31Å; K597-F608 WeakPolarHBondContact CA-O 3.5Å; Y599-F608 PolarHBondContact N-O 3.43Å; Y599-F608 PolarHBondContact O-N 3.44Å; C601-F608 HydrophobicContact CB-CE2 4.43Å; K606-F608 HydrophobicContact CB-CE2 4.01Å; K606-F608 HydrophobicContact CB-CZ 4.17Å; K606-F608 WeakPolarHBondContact O-CD2 3.4Å; K606-F608 WeakPolarHBondContact O-CE2 3.28Å; F608-E613 HydrophobicContact CB-CB 4Å; F608-E613 HydrophobicContact CD1-CB 3.75Å; F608-E613 HydrophobicContact CG-CB 4.09Å; F608-L614 HydrophobicContact CB-CB 4.48Å; F608-L614 HydrophobicContact CD2-CB 4.12Å; F608-L614 HydrophobicContact CD2-CD1 4.04Å; F608-L614 HydrophobicContact CE2-CD1 4.29Å; F608-H617 HydrophobicContact CE1-CB 4.07Å; F608-H617 HydrophobicContact CE2-CB 3.7Å; F608-H617 AromaticContact CE2-CD2 3.47Å; F608-H617 VanDerWaalsContact CE2-CD2 3.47Å; F608-H617 WeakPolarHBondContact CE2-CD2 3.48Å; F608-H617 AromaticContact CE2-CG 3.51Å; F608-H617 HydrophobicContact CZ-CB 3.45Å; F608-H617 VanDerWaalsContact CZ-CB 3.45Å; F608-H617 AromaticContact CZ-CD2 3.69Å; F608-H617 AromaticContact CZ-CG 3.26Å; F608-H617 AromaticContact CZ-ND1 3.71Å
609	F	83.1	Confident	87.3	Confident	56 Å²	56	74.9 Å²	74.9	25%	0.246	36%	0.363	C	S	.	.	S	Bend	trans	-77.2	-26.1	179.6	-63	-70.7	0	0	0	112.9	R591 E596 K597	R591-F609 HydrophobicContact CB-CD1 3.84Å; R591-F609 HydrophobicContact CB-CE1 4.44Å; R591-F609 PolarHBondContact NH1-O 3.08Å; R591-F609 VanDerWaalsContact O-CE1 3.29Å; R591-F609 WeakPolarHBondContact O-CE1 3.44Å; E596-F609 WeakPolarHBondContact O-CD1 3.28Å; K597-F609 HydrophobicContact CD-CE1 4.3Å; K597-F609 HydrophobicContact CD-CZ 4.29Å; K597-F609 HydrophobicContact CG-CD1 3.71Å; K597-F609 HydrophobicContact CG-CE1 3.6Å; K597-F609 HydrophobicContact CG-CE2 4.49Å; K597-F609 HydrophobicContact CG-CG 4.22Å; K597-F609 HydrophobicContact CG-CZ 4.05Å
610	E	85.1	Confident	87.3	Confident	76 Å²	76	74.8 Å²	74.8	36%	0.355	37%	0.37	S	S	.	.	S	Bend	trans	-131.8	149.6	177.5	-61.7	-168.3	172.6	0	0	113.4	T588 S612 E613 L614	T588-E610 HydrophobicContact CG2-CG 4.27Å; E610-S612 WeakPolarHBondContact CB-OG 3.3Å; E610-S612 PolarHBondContact O-N 3.32Å; E610-S612 PolarHBondContact OE2-OG 2.99Å; E610-E613 HydrophobicContact CB-CG 4.34Å; E610-E613 PolarHBondContact O-N 3.38Å; E610-L614 PolarHBondContact O-N 3.35Å
611	K	85.9	Confident	87.1	Confident	131 Å²	131	73.4 Å²	73.4	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-62.7	-29.8	173.4	-167.5	175.1	-178.9	175.6	0	112.7	Y599 E613 L614 I615	Y599-K611 HydrophobicContact CD1-CB 3.85Å; Y599-K611 HydrophobicContact CD1-CG 4.25Å; Y599-K611 HydrophobicContact CE1-CB 3.7Å; Y599-K611 HydrophobicContact CE1-CD 4.47Å; Y599-K611 HydrophobicContact CE1-CG 4.27Å; Y599-K611 HydrophobicContact CE2-CB 4.49Å; Y599-K611 HydrophobicContact CG-CB 4.31Å; K611-E613 VanDerWaalsContact C-N 3.31Å; K611-E613 PolarHBondContact O-N 3.26Å; K611-L614 PolarHBondContact O-N 3.29Å; K611-I615 HydrophobicContact CG-CD1 4.03Å; K611-I615 HydrophobicContact CG-CG1 4.44Å; K611-I615 VanDerWaalsContact O-CG1 3.31Å; K611-I615 WeakPolarHBondContact O-CG1 3.36Å; K611-I615 PolarHBondContact O-N 3.06Å
612	S	85.5	Confident	86.9	Confident	62 Å²	62	77.2 Å²	77.2	43%	0.434	39%	0.387	S	S	.	.	H	α-helix	trans	-56	-45.9	173.4	56.5	0	0	0	0	111.2	E610 R616	E610-S612 WeakPolarHBondContact CB-OG 3.3Å; E610-S612 PolarHBondContact O-N 3.32Å; E610-S612 PolarHBondContact OE2-OG 2.99Å; S612-R616 VanDerWaalsContact O-CB 3.3Å; S612-R616 WeakPolarHBondContact O-CB 3.32Å; S612-R616 PolarHBondContact O-N 3.03Å
613	E	87.6	Confident	86.7	Confident	56 Å²	56	74.3 Å²	74.3	26%	0.262	37%	0.373	S	S	.	.	H	α-helix	trans	-71.5	-41.1	178.4	-60.3	-157.6	108.8	0	0	112.5	F608 E610 K611 R616 H617	F608-E613 HydrophobicContact CB-CB 4Å; F608-E613 HydrophobicContact CD1-CB 3.75Å; F608-E613 HydrophobicContact CG-CB 4.09Å; E610-E613 HydrophobicContact CB-CG 4.34Å; E610-E613 PolarHBondContact O-N 3.38Å; K611-E613 VanDerWaalsContact C-N 3.31Å; K611-E613 PolarHBondContact O-N 3.26Å; E613-R616 CarbonylContact O-C 3.54Å; E613-R616 PolarHBondContact O-N 3.21Å; E613-R616 IonicContact OE1-NH2 3.25Å; E613-R616 PolarHBondContact OE1-NH2 3.36Å; E613-H617 VanDerWaalsContact O-CB 3.24Å; E613-H617 WeakPolarHBondContact O-CB 3.15Å; E613-H617 PolarHBondContact O-N 2.87Å
614	L	89.4	Confident	86.7	Confident	23 Å²	23	73.4 Å²	73.4	12%	0.12	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-46.6	174	174.8	59.7	0	0	0	111.4	E600 C601 F608 E610 K611 R616 H617 L618	E600-L614 WeakPolarHBondContact O-CD2 3.09Å; C601-L614 HydrophobicContact CB-CD1 3.66Å; F608-L614 HydrophobicContact CB-CB 4.48Å; F608-L614 HydrophobicContact CD2-CB 4.12Å; F608-L614 HydrophobicContact CD2-CD1 4.04Å; F608-L614 HydrophobicContact CE2-CD1 4.29Å; E610-L614 PolarHBondContact O-N 3.35Å; K611-L614 PolarHBondContact O-N 3.29Å; L614-R616 PolarHBondContact O-N 3.27Å; L614-H617 CarbonylContact O-C 3.6Å; L614-H617 WeakPolarHBondContact O-CA 3.34Å; L614-H617 WeakPolarHBondContact O-CB 3.4Å; L614-H617 PolarHBondContact O-N 2.93Å; L614-H617 VanDerWaalsContact O-N 3.08Å; L614-L618 HydrophobicContact CD1-CD1 4.35Å; L614-L618 HydrophobicContact CD1-CG 4.12Å; L614-L618 HydrophobicContact CG-CD1 4.22Å; L614-L618 HydrophobicContact CG-CG 4.46Å; L614-L618 WeakPolarHBondContact O-CG 3.35Å; L614-L618 PolarHBondContact O-N 3.32Å
615	I	86.6	Confident	86.7	Confident	82 Å²	82	77.2 Å²	77.2	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-45	176.8	-68.8	166	0	0	0	110.7	K611 H617 L618	K611-I615 HydrophobicContact CG-CD1 4.03Å; K611-I615 HydrophobicContact CG-CG1 4.44Å; K611-I615 VanDerWaalsContact O-CG1 3.31Å; K611-I615 WeakPolarHBondContact O-CG1 3.36Å; K611-I615 PolarHBondContact O-N 3.06Å; I615-H617 PolarHBondContact O-N 3.48Å; I615-L618 PolarHBondContact O-N 3.33Å
616	R	87.8	Confident	86.8	Confident	101 Å²	101	70.8 Å²	70.8	38%	0.381	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-34.5	173.9	-177.8	171	71	131.8	-13.3	112.1	S612 E613 L614 R637 E638	S612-R616 VanDerWaalsContact O-CB 3.3Å; S612-R616 WeakPolarHBondContact O-CB 3.32Å; S612-R616 PolarHBondContact O-N 3.03Å; E613-R616 CarbonylContact O-C 3.54Å; E613-R616 PolarHBondContact O-N 3.21Å; E613-R616 IonicContact OE1-NH2 3.25Å; E613-R616 PolarHBondContact OE1-NH2 3.36Å; L614-R616 PolarHBondContact O-N 3.27Å; R616-R637 PolarHBondContact O-NE 3.19Å; R616-R637 VanDerWaalsContact O-NE 3.08Å; R616-R637 PolarHBondContact O-NH2 2.88Å; R616-E638 VanDerWaalsContact CD-OE1 3.26Å; R616-E638 WeakPolarHBondContact CD-OE1 3.33Å; R616-E638 HydrophobicContact CG-CG 4.36Å; R616-E638 IonicContact CZ-OE1 3.96Å; R616-E638 IonicContact NE-OE1 3.38Å; R616-E638 IonicContact NH1-OE1 3.68Å; R616-E638 PolarHBondContact NH1-OE1 3.37Å; R616-E638 IonicContact NH1-OE2 3.88Å
617	H	88.7	Confident	87	Confident	24 Å²	24	68 Å²	68	11%	0.111	35%	0.348	C	S	.	.	H	α-helix	trans	-75.9	-37.9	177	174.3	66.5	0	0	0	113.4	C601 C604 F608 E613 L614 I615 R619 T620 H621 R637	C601-H617 PolarHBondContact SG-CD2 3.46Å; C601-H617 PolarHBondContact SG-NE2 2.63Å; C601-H617 VanDerWaalsContact SG-NE2 3.37Å; C604-H617 PolarHBondContact SG-NE2 3.11Å; F608-H617 HydrophobicContact CE1-CB 4.07Å; F608-H617 HydrophobicContact CE2-CB 3.7Å; F608-H617 AromaticContact CE2-CD2 3.47Å; F608-H617 VanDerWaalsContact CE2-CD2 3.47Å; F608-H617 WeakPolarHBondContact CE2-CD2 3.48Å; F608-H617 AromaticContact CE2-CG 3.51Å; F608-H617 HydrophobicContact CZ-CB 3.45Å; F608-H617 VanDerWaalsContact CZ-CB 3.45Å; F608-H617 AromaticContact CZ-CD2 3.69Å; F608-H617 AromaticContact CZ-CG 3.26Å; F608-H617 AromaticContact CZ-ND1 3.71Å; E613-H617 VanDerWaalsContact O-CB 3.24Å; E613-H617 WeakPolarHBondContact O-CB 3.15Å; E613-H617 PolarHBondContact O-N 2.87Å; L614-H617 CarbonylContact O-C 3.6Å; L614-H617 WeakPolarHBondContact O-CA 3.34Å; L614-H617 WeakPolarHBondContact O-CB 3.4Å; L614-H617 PolarHBondContact O-N 2.93Å; L614-H617 VanDerWaalsContact O-N 3.08Å; I615-H617 PolarHBondContact O-N 3.48Å; H617-R619 PolarHBondContact O-N 3.27Å; H617-T620 PolarHBondContact ND1-OG1 3.05Å; H617-T620 WeakPolarHBondContact O-CB 3.33Å; H617-T620 PolarHBondContact O-N 3.46Å; H617-T620 PolarHBondContact O-OG1 3.13Å; H617-H621 AromaticContact CD2-NE2 3.95Å; H617-H621 AromaticContact CE1-NE2 3.55Å; H617-H621 AromaticContact NE2-CD2 3.93Å; H617-H621 AromaticContact NE2-CE1 3.92Å; H617-H621 AromaticContact NE2-NE2 3.04Å; H617-H621 PolarHBondContact NE2-NE2 3.42Å; H617-R637 PolarHBondContact O-NH2 3.38Å
618	L	86.8	Confident	87	Confident	54 Å²	54	71 Å²	71	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-58.2	-33.2	179	-74.9	167	0	0	0	112	L614 I615 T620 H621 T622	L614-L618 HydrophobicContact CD1-CD1 4.35Å; L614-L618 HydrophobicContact CD1-CG 4.12Å; L614-L618 HydrophobicContact CG-CD1 4.22Å; L614-L618 HydrophobicContact CG-CG 4.46Å; L614-L618 WeakPolarHBondContact O-CG 3.35Å; L614-L618 PolarHBondContact O-N 3.32Å; I615-L618 PolarHBondContact O-N 3.33Å; L618-T620 PolarHBondContact O-N 2.81Å; L618-H621 PolarHBondContact O-N 3.09Å; L618-T622 PolarHBondContact O-N 3.01Å
619	R	89.3	Confident	87.2	Confident	48 Å²	48	69.1 Å²	69.1	18%	0.181	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-4.3	169.7	-56.2	-177.1	-174.5	156.2	3.8	115.4	H617 E624 R637	H617-R619 PolarHBondContact O-N 3.27Å; R619-E624 HydrophobicContact CB-CB 4.13Å; R619-E624 HydrophobicContact CG-CB 3.9Å; R619-E624 IonicContact NE-OE2 3.88Å; R619-R637 HydrophobicContact CB-CG 3.71Å; R619-R637 PolarHBondContact NH1-O 3.45Å; R619-R637 VanDerWaalsContact NH1-O 3.1Å; R619-R637 WeakPolarHBondContact O-CD 3.5Å
620	T	87.9	Confident	87.5	Confident	70 Å²	70	73.5 Å²	73.5	43%	0.429	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-38.3	166.3	-32.7	0	0	0	0	110.5	H617 L618 R637	H617-T620 PolarHBondContact ND1-OG1 3.05Å; H617-T620 WeakPolarHBondContact O-CB 3.33Å; H617-T620 PolarHBondContact O-N 3.46Å; H617-T620 PolarHBondContact O-OG1 3.13Å; L618-T620 PolarHBondContact O-N 2.81Å; T620-R637 VanDerWaalsContact N-CZ 3.26Å; T620-R637 PolarHBondContact OG1-NH1 3.45Å; T620-R637 PolarHBondContact OG1-NH2 3.16Å
621	H	86.1	Confident	87.6	Confident	80 Å²	80	75.1 Å²	75.1	37%	0.37	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-39.5	-169.3	-51.3	-57	0	0	0	111.1	L603 C604 H617 L618 G623	L603-H621 HydrophobicContact CD1-CB 3.52Å; C604-H621 PolarHBondContact SG-NE2 3.04Å; H617-H621 AromaticContact CD2-NE2 3.95Å; H617-H621 AromaticContact CE1-NE2 3.55Å; H617-H621 AromaticContact NE2-CD2 3.93Å; H617-H621 AromaticContact NE2-CE1 3.92Å; H617-H621 AromaticContact NE2-NE2 3.04Å; H617-H621 PolarHBondContact NE2-NE2 3.42Å; L618-H621 PolarHBondContact O-N 3.09Å; H621-G623 VanDerWaalsContact C-N 3.27Å; H621-G623 PolarHBondContact O-N 2.88Å
622	T	84.9	Confident	87.7	Confident	80 Å²	80	71 Å²	71	49%	0.491	37%	0.368	S	S	.	.	S	Bend	trans	-77.5	-10.3	174.5	64	0	0	0	0	113.6	L618 E624	L618-T622 PolarHBondContact O-N 3.01Å; T622-E624 WeakPolarHBondContact CB-OE1 3.11Å; T622-E624 PolarHBondContact O-N 2.85Å; T622-E624 VanDerWaalsContact O-N 3.09Å; T622-E624 VanDerWaalsContact OG1-CD 3.26Å; T622-E624 WeakPolarHBondContact OG1-CG 3.22Å; T622-E624 PolarHBondContact OG1-OE1 3.01Å
623	G	83.7	Confident	87.9	Confident	44 Å²	44	77.6 Å²	77.6	45%	0.454	38%	0.384	S	S	.	.			trans	68.8	-0.3	-177.3	0	0	0	0	0	115.5	H621 K625	H621-G623 VanDerWaalsContact C-N 3.27Å; H621-G623 PolarHBondContact O-N 2.88Å; G623-K625 PolarHBondContact O-N 3.17Å
624	E	86.3	Confident	87.9	Confident	92 Å²	92	80.9 Å²	80.9	43%	0.43	40%	0.397	S	S	.	.			trans	-50.4	131	-176.3	-84	166.4	-117.8	0	0	113.9	R619 T622 P626	R619-E624 HydrophobicContact CB-CB 4.13Å; R619-E624 HydrophobicContact CG-CB 3.9Å; R619-E624 IonicContact NE-OE2 3.88Å; T622-E624 WeakPolarHBondContact CB-OE1 3.11Å; T622-E624 PolarHBondContact O-N 2.85Å; T622-E624 VanDerWaalsContact O-N 3.09Å; T622-E624 VanDerWaalsContact OG1-CD 3.26Å; T622-E624 WeakPolarHBondContact OG1-CG 3.22Å; T622-E624 PolarHBondContact OG1-OE1 3.01Å; E624-P626 HydrophobicContact CB-CG 4.47Å
625	K	88.2	Confident	87.9	Confident	131 Å²	131	81.6 Å²	81.6	57%	0.57	41%	0.406	S	S	*	.			trans	-128.8	73.4	177.6	-70.8	156.2	179.2	175	0	111.3	G623 Y627 A635 F636 R637	G623-K625 PolarHBondContact O-N 3.17Å; K625-Y627 PolarHBondContact O-N 3.26Å; K625-A635 HydrophobicContact CB-CB 3.57Å; K625-A635 HydrophobicContact CD-CB 4.19Å; K625-A635 WeakPolarHBondContact CD-O 3.49Å; K625-A635 HydrophobicContact CG-CB 4.44Å; K625-F636 CarbonylContact C-O 3.53Å; K625-F636 VanDerWaalsContact CA-O 3.25Å; K625-F636 WeakPolarHBondContact CA-O 3.46Å; K625-R637 HydrophobicContact CG-CB 4.5Å
626	P	88.1	Confident	88	Confident	68 Å²	68	79.9 Å²	79.9	44%	0.442	40%	0.396	S	S	.	.			trans	-73.2	5.8	-170	-18.6	34.5	0	0	0	116.1	E624	E624-P626 HydrophobicContact CB-CG 4.47Å
627	Y	90.2	Very high	88	Confident	76 Å²	76	78.5 Å²	78.5	30%	0.298	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	89.7	-175.6	-51.7	-72.6	0	0	0	110	K625 F636 R637 K639	K625-Y627 PolarHBondContact O-N 3.26Å; Y627-F636 WeakPolarHBondContact CB-O 3.39Å; Y627-F636 WeakPolarHBondContact CD2-O 3.4Å; Y627-F636 PolarHBondContact N-O 3.16Å; Y627-F636 PolarHBondContact O-N 3.03Å; Y627-R637 WeakPolarHBondContact CE2-O 3.42Å; Y627-K639 HydrophobicContact CD1-CB 4.02Å; Y627-K639 HydrophobicContact CD2-CB 4.48Å; Y627-K639 VanDerWaalsContact CD2-N 3.28Å; Y627-K639 HydrophobicContact CE1-CB 4Å; Y627-K639 HydrophobicContact CE2-CB 4.44Å; Y627-K639 HydrophobicContact CG-CB 4.27Å
628	E	89.4	Confident	87.9	Confident	98 Å²	98	80 Å²	80	46%	0.458	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	147.3	177	-163.3	173.1	150.1	0	0	112.2	R633 L642	E628-R633 WeakPolarHBondContact OE1-CA 3.47Å; E628-R633 VanDerWaalsContact OE1-CB 3.23Å; E628-R633 WeakPolarHBondContact OE1-CB 3.5Å; E628-R633 VanDerWaalsContact OE1-CG 3.3Å; E628-R633 WeakPolarHBondContact OE1-CG 3.47Å; E628-L642 WeakPolarHBondContact O-CD2 3.15Å
629	C	91.3	Very high	88	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	41%	0.411	C	S	.	.			trans	-92	110.8	168.9	179.7	0	0	0	0	110	E631 C632 R633 K634 F636 L642	C629-E631 PolarHBondContact O-N 2.89Å; C629-C632 PolarHBondContact O-N 2.88Å; C629-R633 VanDerWaalsContact O-CA 3.24Å; C629-R633 WeakPolarHBondContact O-CA 3.35Å; C629-R633 PolarHBondContact O-N 3.2Å; C629-K634 WeakPolarHBondContact CB-O 3.47Å; C629-K634 PolarHBondContact N-O 2.85Å; C629-F636 HydrophobicContact CB-CE2 4.42Å; C629-L642 HydrophobicContact CB-CD1 3.53Å
630	N	87.9	Confident	87.9	Confident	147 Å²	147	83.8 Å²	83.8	79%	0.786	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.6	-177.1	-61.4	7.8	0	0	0	113.8
631	E	87.9	Confident	87.9	Confident	111 Å²	111	82.8 Å²	82.8	52%	0.519	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-33.7	-173.9	-63.3	158.3	-107.2	0	0	113.5	C629 H649	C629-E631 PolarHBondContact O-N 2.89Å; E631-H649 IonicContact OE1-CD2 3.84Å; E631-H649 WeakPolarHBondContact OE2-CB 3.39Å; E631-H649 IonicContact OE2-CD2 3.92Å; E631-H649 PolarHBondContact OE2-CD2 3.26Å; E631-H649 IonicContact OE2-CG 2.89Å; E631-H649 VanDerWaalsContact OE2-CG 3.3Å
632	C	89.2	Confident	88.2	Confident	43 Å²	43	79.9 Å²	79.9	29%	0.291	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	9.2	-175.4	73.7	0	0	0	0	114.8	C629 K634 H645 H649	C629-C632 PolarHBondContact O-N 2.88Å; C632-K634 PolarHBondContact O-N 3.4Å; C632-H645 PolarHBondContact SG-NE2 2.99Å; C632-H649 PolarHBondContact SG-NE2 3.06Å; C632-H649 VanDerWaalsContact SG-NE2 3.37Å
633	R	87.9	Confident	88.3	Confident	202 Å²	202	79.4 Å²	79.4	76%	0.762	40%	0.396	S	S	*	.			trans	53.8	17.1	179.9	-56.9	-168.3	-175	162.3	1.7	115.7	E628 C629 A635	E628-R633 WeakPolarHBondContact OE1-CA 3.47Å; E628-R633 VanDerWaalsContact OE1-CB 3.23Å; E628-R633 WeakPolarHBondContact OE1-CB 3.5Å; E628-R633 VanDerWaalsContact OE1-CG 3.3Å; E628-R633 WeakPolarHBondContact OE1-CG 3.47Å; C629-R633 VanDerWaalsContact O-CA 3.24Å; C629-R633 WeakPolarHBondContact O-CA 3.35Å; C629-R633 PolarHBondContact O-N 3.2Å; R633-A635 PolarHBondContact O-N 2.83Å
634	K	88.1	Confident	88.4	Confident	125 Å²	125	79.7 Å²	79.7	54%	0.543	39%	0.387	S	S	.	.			trans	-73.7	117.2	174.4	-72.9	177	-177	168.7	0	109.4	C629 C632 F636	C629-K634 WeakPolarHBondContact CB-O 3.47Å; C629-K634 PolarHBondContact N-O 2.85Å; C632-K634 PolarHBondContact O-N 3.4Å; K634-F636 HydrophobicContact CB-CE2 3.77Å; K634-F636 HydrophobicContact CB-CZ 4.04Å; K634-F636 WeakPolarHBondContact O-CD2 3.47Å; K634-F636 WeakPolarHBondContact O-CE2 3.49Å
635	A	90.2	Very high	88.5	Confident	37 Å²	37	76.3 Å²	76.3	31%	0.306	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.3	-179.9	0	0	0	0	0	112.2	K625 R633	K625-A635 HydrophobicContact CB-CB 3.57Å; K625-A635 HydrophobicContact CD-CB 4.19Å; K625-A635 WeakPolarHBondContact CD-O 3.49Å; K625-A635 HydrophobicContact CG-CB 4.44Å; R633-A635 PolarHBondContact O-N 2.83Å
636	F	89	Confident	88.5	Confident	46 Å²	46	73.2 Å²	73.2	20%	0.202	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.1	-179.2	-62.5	-89.7	0	0	0	111.9	K625 Y627 C629 K634 L642 H645	K625-F636 CarbonylContact C-O 3.53Å; K625-F636 VanDerWaalsContact CA-O 3.25Å; K625-F636 WeakPolarHBondContact CA-O 3.46Å; Y627-F636 WeakPolarHBondContact CB-O 3.39Å; Y627-F636 WeakPolarHBondContact CD2-O 3.4Å; Y627-F636 PolarHBondContact N-O 3.16Å; Y627-F636 PolarHBondContact O-N 3.03Å; C629-F636 HydrophobicContact CB-CE2 4.42Å; K634-F636 HydrophobicContact CB-CE2 3.77Å; K634-F636 HydrophobicContact CB-CZ 4.04Å; K634-F636 WeakPolarHBondContact O-CD2 3.47Å; K634-F636 WeakPolarHBondContact O-CE2 3.49Å; F636-L642 HydrophobicContact CB-CB 4.27Å; F636-L642 HydrophobicContact CD2-CB 4.13Å; F636-L642 HydrophobicContact CD2-CD1 3.97Å; F636-L642 HydrophobicContact CE2-CD1 4.31Å; F636-L642 HydrophobicContact CG-CB 4.36Å; F636-H645 HydrophobicContact CE1-CB 4.11Å; F636-H645 HydrophobicContact CE2-CB 4Å; F636-H645 AromaticContact CE2-CD2 3.21Å; F636-H645 WeakPolarHBondContact CE2-CD2 3.29Å; F636-H645 AromaticContact CE2-CG 3.74Å; F636-H645 AromaticContact CE2-NE2 3.98Å; F636-H645 HydrophobicContact CZ-CB 3.6Å; F636-H645 AromaticContact CZ-CD2 3.27Å; F636-H645 WeakPolarHBondContact CZ-CD2 3.49Å; F636-H645 AromaticContact CZ-CG 3.35Å; F636-H645 AromaticContact CZ-NE2 3.91Å
637	R	86.9	Confident	88.5	Confident	72 Å²	72	72 Å²	72	27%	0.272	35%	0.345	S	S	.	.	S	Bend	trans	-84	-21.2	-179	173.9	174	156.3	-163.2	0.1	114.4	R616 H617 R619 T620 K625 Y627	R616-R637 PolarHBondContact O-NE 3.19Å; R616-R637 VanDerWaalsContact O-NE 3.08Å; R616-R637 PolarHBondContact O-NH2 2.88Å; H617-R637 PolarHBondContact O-NH2 3.38Å; R619-R637 HydrophobicContact CB-CG 3.71Å; R619-R637 PolarHBondContact NH1-O 3.45Å; R619-R637 VanDerWaalsContact NH1-O 3.1Å; R619-R637 WeakPolarHBondContact O-CD 3.5Å; T620-R637 VanDerWaalsContact N-CZ 3.26Å; T620-R637 PolarHBondContact OG1-NH1 3.45Å; T620-R637 PolarHBondContact OG1-NH2 3.16Å; K625-R637 HydrophobicContact CG-CB 4.5Å; Y627-R637 WeakPolarHBondContact CE2-O 3.42Å
638	E	87.8	Confident	88.3	Confident	56 Å²	56	73.9 Å²	73.9	26%	0.262	36%	0.359	S	S	.	.	S	Bend	trans	-130	138.5	175.7	-59.5	-168.7	-176	0	0	111.1	R616 S640 S641 L642	R616-E638 VanDerWaalsContact CD-OE1 3.26Å; R616-E638 WeakPolarHBondContact CD-OE1 3.33Å; R616-E638 HydrophobicContact CG-CG 4.36Å; R616-E638 IonicContact CZ-OE1 3.96Å; R616-E638 IonicContact NE-OE1 3.38Å; R616-E638 IonicContact NH1-OE1 3.68Å; R616-E638 PolarHBondContact NH1-OE1 3.37Å; R616-E638 IonicContact NH1-OE2 3.88Å; E638-S640 WeakPolarHBondContact CB-OG 3.42Å; E638-S640 PolarHBondContact O-N 2.92Å; E638-S640 PolarHBondContact OE2-OG 3.47Å; E638-S641 WeakPolarHBondContact O-CB 3.24Å; E638-S641 PolarHBondContact O-N 2.89Å; E638-L642 PolarHBondContact O-N 3.44Å
639	K	87.8	Confident	88.2	Confident	131 Å²	131	72.9 Å²	72.9	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-58.9	-31.2	174.3	-172.8	175	-179.1	176.1	0	112.4	Y627 S641 L642 I643	Y627-K639 HydrophobicContact CD1-CB 4.02Å; Y627-K639 HydrophobicContact CD2-CB 4.48Å; Y627-K639 VanDerWaalsContact CD2-N 3.28Å; Y627-K639 HydrophobicContact CE1-CB 4Å; Y627-K639 HydrophobicContact CE2-CB 4.44Å; Y627-K639 HydrophobicContact CG-CB 4.27Å; K639-S641 VanDerWaalsContact C-N 3.26Å; K639-S641 PolarHBondContact O-N 3.37Å; K639-L642 PolarHBondContact O-N 3.27Å; K639-I643 HydrophobicContact CG-CD1 4Å; K639-I643 HydrophobicContact CG-CG1 4.44Å; K639-I643 WeakPolarHBondContact O-CG1 3.48Å; K639-I643 PolarHBondContact O-N 2.87Å
640	S	87.4	Confident	87.9	Confident	50 Å²	50	76.5 Å²	76.5	35%	0.35	38%	0.377	S	S	.	.	H	α-helix	trans	-56	-39.1	171.1	60.2	0	0	0	0	112.3	E638 N644	E638-S640 WeakPolarHBondContact CB-OG 3.42Å; E638-S640 PolarHBondContact O-N 2.92Å; E638-S640 PolarHBondContact OE2-OG 3.47Å; S640-N644 WeakPolarHBondContact O-CB 3.3Å; S640-N644 PolarHBondContact O-N 2.83Å; S640-N644 VanDerWaalsContact O-N 3.15Å; S640-N644 PolarHBondContact O-ND2 2.7Å
641	S	88.7	Confident	87.7	Confident	50 Å²	50	71.6 Å²	71.6	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-78.1	-38.2	-178.5	-61.3	0	0	0	0	111.3	E638 K639 N644 H645	E638-S641 WeakPolarHBondContact O-CB 3.24Å; E638-S641 PolarHBondContact O-N 2.89Å; K639-S641 VanDerWaalsContact C-N 3.26Å; K639-S641 PolarHBondContact O-N 3.37Å; S641-N644 CarbonylContact O-C 3.55Å; S641-N644 PolarHBondContact O-N 3.44Å; S641-H645 WeakPolarHBondContact O-CB 3.4Å; S641-H645 PolarHBondContact O-N 3.01Å
642	L	90.6	Very high	87.6	Confident	19 Å²	19	71 Å²	71	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-51.3	172.1	174.2	59.4	0	0	0	111.4	E628 C629 F636 E638 K639 N644 H645 Q646	E628-L642 WeakPolarHBondContact O-CD2 3.15Å; C629-L642 HydrophobicContact CB-CD1 3.53Å; F636-L642 HydrophobicContact CB-CB 4.27Å; F636-L642 HydrophobicContact CD2-CB 4.13Å; F636-L642 HydrophobicContact CD2-CD1 3.97Å; F636-L642 HydrophobicContact CE2-CD1 4.31Å; F636-L642 HydrophobicContact CG-CB 4.36Å; E638-L642 PolarHBondContact O-N 3.44Å; K639-L642 PolarHBondContact O-N 3.27Å; L642-N644 VanDerWaalsContact C-N 3.33Å; L642-N644 PolarHBondContact O-N 2.58Å; L642-H645 CarbonylContact O-C 3.57Å; L642-H645 WeakPolarHBondContact O-CA 3.41Å; L642-H645 WeakPolarHBondContact O-CB 3.38Å; L642-H645 PolarHBondContact O-N 3.35Å; L642-Q646 HydrophobicContact CD1-CG 3.99Å; L642-Q646 HydrophobicContact CG-CG 4.4Å; L642-Q646 WeakPolarHBondContact O-CG 3.36Å; L642-Q646 PolarHBondContact O-N 2.82Å
643	I	87.6	Confident	87.6	Confident	70 Å²	70	75.1 Å²	75.1	36%	0.359	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-44	178.5	-66.3	165.2	0	0	0	110.9	K639 H645 Q646 R647	K639-I643 HydrophobicContact CG-CD1 4Å; K639-I643 HydrophobicContact CG-CG1 4.44Å; K639-I643 WeakPolarHBondContact O-CG1 3.48Å; K639-I643 PolarHBondContact O-N 2.87Å; I643-H645 PolarHBondContact O-N 2.91Å; I643-H645 VanDerWaalsContact O-N 3.15Å; I643-Q646 PolarHBondContact O-N 3.35Å; I643-R647 PolarHBondContact O-N 3.25Å
644	N	86.9	Confident	87.6	Confident	50 Å²	50	69 Å²	69	27%	0.267	36%	0.358	S	S	.	.	H	α-helix	trans	-71.8	-0.2	175.6	-74.4	-51.5	0	0	0	114.2	S640 S641 L642 R647 R666	S640-N644 WeakPolarHBondContact O-CB 3.3Å; S640-N644 PolarHBondContact O-N 2.83Å; S640-N644 VanDerWaalsContact O-N 3.15Å; S640-N644 PolarHBondContact O-ND2 2.7Å; S641-N644 CarbonylContact O-C 3.55Å; S641-N644 PolarHBondContact O-N 3.44Å; L642-N644 VanDerWaalsContact C-N 3.33Å; L642-N644 PolarHBondContact O-N 2.58Å; N644-R647 PolarHBondContact OD1-NH1 2.89Å; N644-R666 PolarHBondContact O-NH2 2.91Å
645	H	88.6	Confident	87.7	Confident	20 Å²	20	66 Å²	66	9%	0.093	35%	0.345	C	S	.	.	H	α-helix	trans	-104.9	-39.7	170.8	172.6	52.4	0	0	0	111.9	C632 F636 S641 L642 I643 R647 I648 H649	C632-H645 PolarHBondContact SG-NE2 2.99Å; F636-H645 HydrophobicContact CE1-CB 4.11Å; F636-H645 HydrophobicContact CE2-CB 4Å; F636-H645 AromaticContact CE2-CD2 3.21Å; F636-H645 WeakPolarHBondContact CE2-CD2 3.29Å; F636-H645 AromaticContact CE2-CG 3.74Å; F636-H645 AromaticContact CE2-NE2 3.98Å; F636-H645 HydrophobicContact CZ-CB 3.6Å; F636-H645 AromaticContact CZ-CD2 3.27Å; F636-H645 WeakPolarHBondContact CZ-CD2 3.49Å; F636-H645 AromaticContact CZ-CG 3.35Å; F636-H645 AromaticContact CZ-NE2 3.91Å; S641-H645 WeakPolarHBondContact O-CB 3.4Å; S641-H645 PolarHBondContact O-N 3.01Å; L642-H645 CarbonylContact O-C 3.57Å; L642-H645 WeakPolarHBondContact O-CA 3.41Å; L642-H645 WeakPolarHBondContact O-CB 3.38Å; L642-H645 PolarHBondContact O-N 3.35Å; I643-H645 PolarHBondContact O-N 2.91Å; I643-H645 VanDerWaalsContact O-N 3.15Å; H645-R647 PolarHBondContact O-N 2.73Å; H645-I648 WeakPolarHBondContact O-CB 3.44Å; H645-I648 WeakPolarHBondContact O-CG1 3.46Å; H645-I648 PolarHBondContact O-N 2.97Å; H645-H649 AromaticContact CE1-NE2 3.8Å; H645-H649 AromaticContact NE2-NE2 3.56Å
646	Q	87.2	Confident	87.6	Confident	66 Å²	66	70.4 Å²	70.4	31%	0.308	36%	0.359	S	S	.	.	H	α-helix	trans	-56.7	-34.1	175.6	-70.2	176.4	-78.1	0	0	112.2	L642 I643 I648 H649 T650	L642-Q646 HydrophobicContact CD1-CG 3.99Å; L642-Q646 HydrophobicContact CG-CG 4.4Å; L642-Q646 WeakPolarHBondContact O-CG 3.36Å; L642-Q646 PolarHBondContact O-N 2.82Å; I643-Q646 PolarHBondContact O-N 3.35Å; Q646-I648 PolarHBondContact O-N 3.21Å; Q646-H649 PolarHBondContact O-N 3.49Å; Q646-T650 PolarHBondContact O-N 3.12Å
647	R	88.9	Confident	87.8	Confident	42 Å²	42	68.2 Å²	68.2	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-11.9	170.6	-63.1	-161.1	-172.3	113.2	13.6	115.8	I643 N644 H645 G651 E652 S665	I643-R647 PolarHBondContact O-N 3.25Å; N644-R647 PolarHBondContact OD1-NH1 2.89Å; H645-R647 PolarHBondContact O-N 2.73Å; R647-G651 CarbonylContact O-C 3.24Å; R647-G651 PolarHBondContact O-N 3.38Å; R647-E652 HydrophobicContact CB-CB 4.09Å; R647-E652 HydrophobicContact CG-CB 3.78Å; R647-E652 IonicContact NE-OE2 3.02Å; R647-E652 PolarHBondContact NE-OE2 3.23Å; R647-S665 PolarHBondContact NH1-O 3.49Å
648	I	86.1	Confident	87.8	Confident	116 Å²	116	70 Å²	70	60%	0.595	37%	0.373	S	S	*	.	H	α-helix	trans	-79.5	-32.8	172.1	-56.6	-179.8	0	0	0	110.1	H645 Q646	H645-I648 WeakPolarHBondContact O-CB 3.44Å; H645-I648 WeakPolarHBondContact O-CG1 3.46Å; H645-I648 PolarHBondContact O-N 2.97Å; Q646-I648 PolarHBondContact O-N 3.21Å
649	H	85.9	Confident	87.8	Confident	77 Å²	77	72.2 Å²	72.2	36%	0.356	38%	0.384	S	S	.	.	H	α-helix	trans	-82.9	-47.9	175.6	-54.7	-56.5	0	0	0	111.7	E631 C632 H645 Q646 G651	E631-H649 IonicContact OE1-CD2 3.84Å; E631-H649 WeakPolarHBondContact OE2-CB 3.39Å; E631-H649 IonicContact OE2-CD2 3.92Å; E631-H649 PolarHBondContact OE2-CD2 3.26Å; E631-H649 IonicContact OE2-CG 2.89Å; E631-H649 VanDerWaalsContact OE2-CG 3.3Å; C632-H649 PolarHBondContact SG-NE2 3.06Å; C632-H649 VanDerWaalsContact SG-NE2 3.37Å; H645-H649 AromaticContact CE1-NE2 3.8Å; H645-H649 AromaticContact NE2-NE2 3.56Å; Q646-H649 PolarHBondContact O-N 3.49Å; H649-G651 PolarHBondContact O-N 3.1Å
650	T	85.2	Confident	87.8	Confident	77 Å²	77	68.4 Å²	68.4	47%	0.472	37%	0.372	S	S	.	.	S	Bend	trans	-74.4	-8.2	179.5	67.2	0	0	0	0	113.9	Q646 E652	Q646-T650 PolarHBondContact O-N 3.12Å; T650-E652 PolarHBondContact O-N 3.12Å; T650-E652 VanDerWaalsContact O-N 3.08Å; T650-E652 WeakPolarHBondContact OG1-CG 3.48Å; T650-E652 PolarHBondContact OG1-OE1 3.34Å; T650-E652 VanDerWaalsContact OG1-OE1 3.12Å
651	G	83.9	Confident	87.8	Confident	44 Å²	44	68.1 Å²	68.1	45%	0.454	38%	0.377	S	S	.	.			trans	68.9	-1.5	-177.1	0	0	0	0	0	115.3	R647 H649 K653	R647-G651 CarbonylContact O-C 3.24Å; R647-G651 PolarHBondContact O-N 3.38Å; H649-G651 PolarHBondContact O-N 3.1Å; G651-K653 PolarHBondContact O-N 2.99Å
652	E	86.2	Confident	87.8	Confident	97 Å²	97	71.6 Å²	71.6	45%	0.453	39%	0.386	S	S	.	.			trans	-51.4	127.9	-175.4	-88.4	173.7	-129.4	0	0	113.8	R647 T650 P654 S665	R647-E652 HydrophobicContact CB-CB 4.09Å; R647-E652 HydrophobicContact CG-CB 3.78Å; R647-E652 IonicContact NE-OE2 3.02Å; R647-E652 PolarHBondContact NE-OE2 3.23Å; T650-E652 PolarHBondContact O-N 3.12Å; T650-E652 VanDerWaalsContact O-N 3.08Å; T650-E652 WeakPolarHBondContact OG1-CG 3.48Å; T650-E652 PolarHBondContact OG1-OE1 3.34Å; T650-E652 VanDerWaalsContact OG1-OE1 3.12Å; E652-P654 HydrophobicContact CB-CG 4.38Å; E652-S665 WeakPolarHBondContact O-CB 3.27Å
653	K	88.4	Confident	87.7	Confident	130 Å²	130	72.6 Å²	72.6	57%	0.565	40%	0.397	S	S	*	.			trans	-127.1	69.1	175.7	-69	160.3	-174.9	174.1	0	111.8	G651 F655 A663 F664	G651-K653 PolarHBondContact O-N 2.99Å; K653-F655 PolarHBondContact O-N 3.02Å; K653-A663 HydrophobicContact CB-CB 3.61Å; K653-A663 HydrophobicContact CD-CB 4.26Å; K653-F664 CarbonylContact C-O 3.5Å; K653-F664 VanDerWaalsContact CA-O 3.31Å; K653-F664 WeakPolarHBondContact CA-O 3.34Å
654	P	87.9	Confident	87.8	Confident	74 Å²	74	71.5 Å²	71.5	48%	0.481	39%	0.39	S	S	.	.			trans	-73	8.6	-170.2	-17	33.4	0	0	0	115.7	E652	E652-P654 HydrophobicContact CB-CG 4.38Å
655	F	89.9	Confident	87.8	Confident	62 Å²	62	70.7 Å²	70.7	27%	0.272	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	86.2	-176.5	-56.5	-74.8	0	0	0	109.5	K653 F664 K667 L670	K653-F655 PolarHBondContact O-N 3.02Å; F655-F664 HydrophobicContact CB-CB 4.43Å; F655-F664 WeakPolarHBondContact CB-O 3.22Å; F655-F664 WeakPolarHBondContact CD2-O 3.49Å; F655-F664 PolarHBondContact N-O 3.1Å; F655-F664 VanDerWaalsContact N-O 3.15Å; F655-F664 PolarHBondContact O-N 3.08Å; F655-K667 HydrophobicContact CD1-CB 3.8Å; F655-K667 HydrophobicContact CD1-CG 4.29Å; F655-K667 VanDerWaalsContact CD2-N 3.33Å; F655-K667 HydrophobicContact CE1-CB 3.81Å; F655-K667 HydrophobicContact CE1-CD 4.5Å; F655-K667 HydrophobicContact CE1-CG 4.49Å; F655-K667 HydrophobicContact CG-CB 4.17Å; F655-K667 HydrophobicContact CZ-CB 4.18Å; F655-L670 HydrophobicContact CB-CB 4.29Å; F655-L670 HydrophobicContact CB-CD2 3.91Å
656	E	89.4	Confident	87.7	Confident	129 Å²	129	74 Å²	74	60%	0.603	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	147.9	179.6	-164.6	172.2	164.8	0	0	112.8	G661 A663 L670	E656-G661 WeakPolarHBondContact OE1-CA 3.39Å; E656-A663 HydrophobicContact CB-CB 4.48Å; E656-A663 HydrophobicContact CG-CB 4.41Å; E656-L670 WeakPolarHBondContact O-CD2 3.32Å
657	C	91.8	Very high	87.7	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.411	C	S	.	.			trans	-93.6	107	172.5	-172.7	0	0	0	0	110.3	E659 C660 G661 K662 L670 H677	C657-E659 PolarHBondContact O-N 3.49Å; C657-C660 PolarHBondContact O-N 3.11Å; C657-G661 PolarHBondContact O-N 2.78Å; C657-K662 HydrophobicContact CB-CB 4.46Å; C657-K662 WeakPolarHBondContact CB-O 3.26Å; C657-K662 PolarHBondContact N-O 2.77Å; C657-L670 HydrophobicContact CB-CD1 3.66Å; C657-H677 PolarHBondContact SG-NE2 2.88Å; C657-H677 VanDerWaalsContact SG-NE2 3.44Å
658	S	88.4	Confident	87.6	Confident	109 Å²	109	78.3 Å²	78.3	76%	0.762	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.6	180	49.8	0	0	0	0	114.7
659	E	86.8	Confident	87.7	Confident	104 Å²	104	77.1 Å²	77.1	49%	0.486	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.5	-177.7	-62.8	161.5	126.9	0	0	113.9	C657 H677	C657-E659 PolarHBondContact O-N 3.49Å; E659-H677 IonicContact OE2-CD2 3.25Å; E659-H677 PolarHBondContact OE2-CD2 3.42Å; E659-H677 VanDerWaalsContact OE2-CD2 3.24Å; E659-H677 IonicContact OE2-CG 3.79Å
660	C	88.8	Confident	87.8	Confident	50 Å²	50	74 Å²	74	34%	0.338	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.8	13.9	-176.7	70	0	0	0	0	116.6	C657 K662 H673 H677	C657-C660 PolarHBondContact O-N 3.11Å; C660-K662 PolarHBondContact O-N 3.16Å; C660-H673 PolarHBondContact SG-NE2 3.49Å; C660-H677 PolarHBondContact SG-NE2 3.31Å
661	G	85.8	Confident	87.9	Confident	44 Å²	44	73.7 Å²	73.7	45%	0.454	40%	0.4	S	S	.	.			trans	66.4	0.7	178.2	0	0	0	0	0	116	E656 C657 A663	E656-G661 WeakPolarHBondContact OE1-CA 3.39Å; C657-G661 PolarHBondContact O-N 2.78Å; G661-A663 PolarHBondContact O-N 2.77Å; G661-A663 VanDerWaalsContact O-N 3.14Å
662	K	88.9	Confident	88	Confident	124 Å²	124	72.9 Å²	72.9	54%	0.539	39%	0.387	S	S	.	.			trans	-72.1	112.3	-176.9	-72.5	177.8	-177	170.3	0	110.6	C657 C660 F664	C657-K662 HydrophobicContact CB-CB 4.46Å; C657-K662 WeakPolarHBondContact CB-O 3.26Å; C657-K662 PolarHBondContact N-O 2.77Å; C660-K662 PolarHBondContact O-N 3.16Å; K662-F664 HydrophobicContact CB-CE2 3.92Å; K662-F664 HydrophobicContact CB-CZ 4.29Å; K662-F664 VanDerWaalsContact O-CD2 3.29Å; K662-F664 WeakPolarHBondContact O-CD2 3.21Å; K662-F664 WeakPolarHBondContact O-CE2 3.45Å
663	A	90.1	Very high	88.2	Confident	39 Å²	39	69.5 Å²	69.5	32%	0.322	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.9	-178.2	0	0	0	0	0	113.3	K653 E656 G661	K653-A663 HydrophobicContact CB-CB 3.61Å; K653-A663 HydrophobicContact CD-CB 4.26Å; E656-A663 HydrophobicContact CB-CB 4.48Å; E656-A663 HydrophobicContact CG-CB 4.41Å; G661-A663 PolarHBondContact O-N 2.77Å; G661-A663 VanDerWaalsContact O-N 3.14Å
664	F	88.8	Confident	88.1	Confident	48 Å²	48	66.3 Å²	66.3	21%	0.211	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.7	-177.2	-60.8	-96.1	0	0	0	111.8	K653 F655 K662 R666 H669 L670 H673	K653-F664 CarbonylContact C-O 3.5Å; K653-F664 VanDerWaalsContact CA-O 3.31Å; K653-F664 WeakPolarHBondContact CA-O 3.34Å; F655-F664 HydrophobicContact CB-CB 4.43Å; F655-F664 WeakPolarHBondContact CB-O 3.22Å; F655-F664 WeakPolarHBondContact CD2-O 3.49Å; F655-F664 PolarHBondContact N-O 3.1Å; F655-F664 VanDerWaalsContact N-O 3.15Å; F655-F664 PolarHBondContact O-N 3.08Å; K662-F664 HydrophobicContact CB-CE2 3.92Å; K662-F664 HydrophobicContact CB-CZ 4.29Å; K662-F664 VanDerWaalsContact O-CD2 3.29Å; K662-F664 WeakPolarHBondContact O-CD2 3.21Å; K662-F664 WeakPolarHBondContact O-CE2 3.45Å; F664-R666 VanDerWaalsContact C-N 3.27Å; F664-R666 PolarHBondContact O-N 3.33Å; F664-H669 HydrophobicContact CB-CB 4.38Å; F664-H669 HydrophobicContact CD1-CB 3.64Å; F664-H669 HydrophobicContact CE1-CB 4.33Å; F664-H669 HydrophobicContact CG-CB 4.26Å; F664-L670 HydrophobicContact CD2-CB 4.13Å; F664-L670 HydrophobicContact CD2-CD1 3.95Å; F664-L670 HydrophobicContact CE2-CD1 4.13Å; F664-L670 HydrophobicContact CG-CB 4.45Å; F664-H673 HydrophobicContact CE1-CB 4.45Å; F664-H673 HydrophobicContact CE2-CB 4.21Å; F664-H673 AromaticContact CE2-CD2 3.32Å; F664-H673 WeakPolarHBondContact CE2-CD2 3.48Å; F664-H673 AromaticContact CE2-CG 3.95Å; F664-H673 HydrophobicContact CZ-CB 3.78Å; F664-H673 AromaticContact CZ-CD2 3.41Å; F664-H673 VanDerWaalsContact CZ-CD2 3.41Å; F664-H673 WeakPolarHBondContact CZ-CD2 3.22Å; F664-H673 AromaticContact CZ-CG 3.6Å
665	S	86.6	Confident	88.2	Confident	33 Å²	33	65.2 Å²	65.2	23%	0.231	35%	0.345	C	S	.	.	S	Bend	trans	-77.9	-7.9	175.9	58.8	0	0	0	0	114.2	R647 E652	R647-S665 PolarHBondContact NH1-O 3.49Å; E652-S665 WeakPolarHBondContact O-CB 3.27Å
666	R	86.8	Confident	88.1	Confident	89 Å²	89	66.5 Å²	66.5	34%	0.336	36%	0.358	S	S	.	.	S	Bend	trans	-146.1	130.8	-179	-57.7	-177.8	-176	179.2	-1.3	111.9	N644 F664 S668 H669 L670	N644-R666 PolarHBondContact O-NH2 2.91Å; F664-R666 VanDerWaalsContact C-N 3.27Å; F664-R666 PolarHBondContact O-N 3.33Å; R666-S668 PolarHBondContact O-N 2.93Å; R666-S668 VanDerWaalsContact O-N 3.11Å; R666-H669 PolarHBondContact O-N 2.89Å; R666-L670 PolarHBondContact O-N 3.45Å
667	K	86.5	Confident	87.9	Confident	124 Å²	124	64 Å²	64	54%	0.539	35%	0.346	S	S	.	.	H	α-helix	trans	-56	-27.8	174.7	-166.7	171.1	-175.1	173.8	0	113.6	F655 H669 L670 I671	F655-K667 HydrophobicContact CD1-CB 3.8Å; F655-K667 HydrophobicContact CD1-CG 4.29Å; F655-K667 VanDerWaalsContact CD2-N 3.33Å; F655-K667 HydrophobicContact CE1-CB 3.81Å; F655-K667 HydrophobicContact CE1-CD 4.5Å; F655-K667 HydrophobicContact CE1-CG 4.49Å; F655-K667 HydrophobicContact CG-CB 4.17Å; F655-K667 HydrophobicContact CZ-CB 4.18Å; K667-H669 PolarHBondContact O-N 3.02Å; K667-L670 PolarHBondContact O-N 3.48Å; K667-I671 HydrophobicContact CD-CD1 4.49Å; K667-I671 HydrophobicContact CG-CD1 4.04Å; K667-I671 HydrophobicContact CG-CG1 4.27Å; K667-I671 PolarHBondContact O-N 3.14Å; K667-I671 VanDerWaalsContact O-N 3.08Å
668	S	86.6	Confident	87.6	Confident	75 Å²	75	67.8 Å²	67.8	52%	0.524	37%	0.369	S	S	.	.	H	α-helix	trans	-65.2	-16	174.7	57.8	0	0	0	0	114.6	R666 P672	R666-S668 PolarHBondContact O-N 2.93Å; R666-S668 VanDerWaalsContact O-N 3.11Å; S668-P672 WeakPolarHBondContact O-CD 3.46Å; S668-P672 WeakPolarHBondContact O-CG 3.45Å
669	H	88.4	Confident	87.4	Confident	90 Å²	90	64.7 Å²	64.7	42%	0.417	36%	0.355	S	S	.	.	H	α-helix	trans	-99.6	-31.9	173.5	-55.7	166.2	0	0	0	111.5	F664 R666 K667 H673	F664-H669 HydrophobicContact CB-CB 4.38Å; F664-H669 HydrophobicContact CD1-CB 3.64Å; F664-H669 HydrophobicContact CE1-CB 4.33Å; F664-H669 HydrophobicContact CG-CB 4.26Å; R666-H669 PolarHBondContact O-N 2.89Å; K667-H669 PolarHBondContact O-N 3.02Å; H669-H673 WeakPolarHBondContact O-CB 3.32Å; H669-H673 PolarHBondContact O-N 2.93Å
670	L	89.1	Confident	87.5	Confident	13 Å²	13	64.2 Å²	64.2	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-48.6	173.9	177.5	61.7	0	0	0	112.1	F655 E656 C657 F664 R666 K667 H673 Q674	F655-L670 HydrophobicContact CB-CB 4.29Å; F655-L670 HydrophobicContact CB-CD2 3.91Å; E656-L670 WeakPolarHBondContact O-CD2 3.32Å; C657-L670 HydrophobicContact CB-CD1 3.66Å; F664-L670 HydrophobicContact CD2-CB 4.13Å; F664-L670 HydrophobicContact CD2-CD1 3.95Å; F664-L670 HydrophobicContact CE2-CD1 4.13Å; F664-L670 HydrophobicContact CG-CB 4.45Å; R666-L670 PolarHBondContact O-N 3.45Å; K667-L670 PolarHBondContact O-N 3.48Å; L670-H673 CarbonylContact O-C 3.14Å; L670-H673 WeakPolarHBondContact O-CA 3.33Å; L670-H673 WeakPolarHBondContact O-CB 3.44Å; L670-H673 PolarHBondContact O-N 2.92Å; L670-Q674 HydrophobicContact CD1-CG 3.93Å; L670-Q674 HydrophobicContact CG-CG 4.2Å; L670-Q674 PolarHBondContact O-N 3.05Å
671	I	87.6	Confident	87.4	Confident	69 Å²	69	68.3 Å²	68.3	35%	0.354	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-48.2	-175.9	-67.5	168.5	0	0	0	112.5	K667 H673 Q674 R675	K667-I671 HydrophobicContact CD-CD1 4.49Å; K667-I671 HydrophobicContact CG-CD1 4.04Å; K667-I671 HydrophobicContact CG-CG1 4.27Å; K667-I671 PolarHBondContact O-N 3.14Å; K667-I671 VanDerWaalsContact O-N 3.08Å; I671-H673 PolarHBondContact O-N 3.14Å; I671-Q674 PolarHBondContact O-N 3.37Å; I671-R675 PolarHBondContact O-N 3.15Å
672	P	86.3	Confident	87.6	Confident	28 Å²	28	69.6 Å²	69.6	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-64.6	-19.9	173.7	-23.8	35.5	0	0	0	114.8	S668 Q694	S668-P672 WeakPolarHBondContact O-CD 3.46Å; S668-P672 WeakPolarHBondContact O-CG 3.45Å; P672-Q694 HydrophobicContact CB-CG 4.1Å
673	H	88.6	Confident	87.6	Confident	25 Å²	25	67.4 Å²	67.4	12%	0.116	35%	0.354	C	S	.	.	H	α-helix	trans	-82.3	-39.5	174.7	172.1	46.7	0	0	0	112.5	C660 F664 H669 L670 I671 R675 T676 H677	C660-H673 PolarHBondContact SG-NE2 3.49Å; F664-H673 HydrophobicContact CE1-CB 4.45Å; F664-H673 HydrophobicContact CE2-CB 4.21Å; F664-H673 AromaticContact CE2-CD2 3.32Å; F664-H673 WeakPolarHBondContact CE2-CD2 3.48Å; F664-H673 AromaticContact CE2-CG 3.95Å; F664-H673 HydrophobicContact CZ-CB 3.78Å; F664-H673 AromaticContact CZ-CD2 3.41Å; F664-H673 VanDerWaalsContact CZ-CD2 3.41Å; F664-H673 WeakPolarHBondContact CZ-CD2 3.22Å; F664-H673 AromaticContact CZ-CG 3.6Å; H669-H673 WeakPolarHBondContact O-CB 3.32Å; H669-H673 PolarHBondContact O-N 2.93Å; L670-H673 CarbonylContact O-C 3.14Å; L670-H673 WeakPolarHBondContact O-CA 3.33Å; L670-H673 WeakPolarHBondContact O-CB 3.44Å; L670-H673 PolarHBondContact O-N 2.92Å; I671-H673 PolarHBondContact O-N 3.14Å; H673-R675 PolarHBondContact O-N 2.87Å; H673-T676 PolarHBondContact ND1-OG1 2.98Å; H673-T676 WeakPolarHBondContact O-CB 3.25Å; H673-T676 PolarHBondContact O-N 2.92Å; H673-T676 PolarHBondContact O-OG1 3.44Å; H673-H677 AromaticContact CE1-CE1 3.42Å; H673-H677 PolarHBondContact CE1-CE1 3.07Å; H673-H677 VanDerWaalsContact CE1-CE1 3.42Å; H673-H677 AromaticContact CE1-NE2 3.16Å; H673-H677 PolarHBondContact CE1-NE2 3.42Å; H673-H677 AromaticContact ND1-NE2 3.96Å; H673-H677 AromaticContact NE2-CE1 3.86Å; H673-H677 AromaticContact NE2-NE2 3.22Å; H673-H677 PolarHBondContact NE2-NE2 2.94Å
674	Q	87.2	Confident	87.5	Confident	64 Å²	64	67.8 Å²	67.8	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-56.8	-35.2	173.6	-66.9	176.8	-79.5	0	0	111.1	L670 I671 T676 H677 T678	L670-Q674 HydrophobicContact CD1-CG 3.93Å; L670-Q674 HydrophobicContact CG-CG 4.2Å; L670-Q674 PolarHBondContact O-N 3.05Å; I671-Q674 PolarHBondContact O-N 3.37Å; Q674-T676 PolarHBondContact O-N 3Å; Q674-H677 PolarHBondContact O-N 3.2Å; Q674-T678 PolarHBondContact O-N 3.35Å; Q674-T678 VanDerWaalsContact O-N 3.14Å
675	R	89.8	Confident	87.5	Confident	50 Å²	50	66.2 Å²	66.2	19%	0.189	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-14.4	171.5	-63.4	-163.9	175.9	125.6	10.6	116	I671 H673 H677 G679 E680 S693	I671-R675 PolarHBondContact O-N 3.15Å; H673-R675 PolarHBondContact O-N 2.87Å; R675-H677 VanDerWaalsContact C-N 3.31Å; R675-G679 WeakPolarHBondContact O-CA 3.35Å; R675-G679 PolarHBondContact O-N 3.23Å; R675-E680 HydrophobicContact CB-CB 4.09Å; R675-E680 HydrophobicContact CG-CB 3.76Å; R675-E680 IonicContact CZ-OE2 3.18Å; R675-E680 IonicContact NE-OE2 3.54Å; R675-E680 PolarHBondContact NE-OE2 3.32Å; R675-E680 IonicContact NH2-OE2 3.59Å; R675-S693 PolarHBondContact NH1-O 2.85Å
676	T	87.4	Confident	87.5	Confident	90 Å²	90	69.6 Å²	69.6	55%	0.552	38%	0.38	S	S	*	.	H	α-helix	trans	-78.8	-19.4	171.6	66	0	0	0	0	112.4	H673 Q674	H673-T676 PolarHBondContact ND1-OG1 2.98Å; H673-T676 WeakPolarHBondContact O-CB 3.25Å; H673-T676 PolarHBondContact O-N 2.92Å; H673-T676 PolarHBondContact O-OG1 3.44Å; Q674-T676 PolarHBondContact O-N 3Å
677	H	86.4	Confident	87.4	Confident	77 Å²	77	70.5 Å²	70.5	36%	0.356	39%	0.388	S	S	.	.	H	α-helix	trans	-91.4	-48.3	175.4	-50.9	-49.6	0	0	0	110.8	C657 E659 C660 H673 Q674 R675 G679	C657-H677 PolarHBondContact SG-NE2 2.88Å; C657-H677 VanDerWaalsContact SG-NE2 3.44Å; E659-H677 IonicContact OE2-CD2 3.25Å; E659-H677 PolarHBondContact OE2-CD2 3.42Å; E659-H677 VanDerWaalsContact OE2-CD2 3.24Å; E659-H677 IonicContact OE2-CG 3.79Å; C660-H677 PolarHBondContact SG-NE2 3.31Å; H673-H677 AromaticContact CE1-CE1 3.42Å; H673-H677 PolarHBondContact CE1-CE1 3.07Å; H673-H677 VanDerWaalsContact CE1-CE1 3.42Å; H673-H677 AromaticContact CE1-NE2 3.16Å; H673-H677 PolarHBondContact CE1-NE2 3.42Å; H673-H677 AromaticContact ND1-NE2 3.96Å; H673-H677 AromaticContact NE2-CE1 3.86Å; H673-H677 AromaticContact NE2-NE2 3.22Å; H673-H677 PolarHBondContact NE2-NE2 2.94Å; Q674-H677 PolarHBondContact O-N 3.2Å; R675-H677 VanDerWaalsContact C-N 3.31Å; H677-G679 PolarHBondContact O-N 3.21Å
678	T	85.5	Confident	87.4	Confident	78 Å²	78	66 Å²	66	48%	0.479	37%	0.372	S	S	.	.	S	Bend	trans	-75	-10.2	178.3	65	0	0	0	0	114.3	Q674 E680	Q674-T678 PolarHBondContact O-N 3.35Å; Q674-T678 VanDerWaalsContact O-N 3.14Å; T678-E680 PolarHBondContact O-N 2.91Å; T678-E680 VanDerWaalsContact O-N 3.16Å; T678-E680 WeakPolarHBondContact OG1-CG 3.5Å
679	G	84.1	Confident	87.2	Confident	45 Å²	45	74.8 Å²	74.8	46%	0.464	39%	0.394	S	S	.	.			trans	70.8	1.1	-177.5	0	0	0	0	0	115.3	R675 H677 K681	R675-G679 WeakPolarHBondContact O-CA 3.35Å; R675-G679 PolarHBondContact O-N 3.23Å; H677-G679 PolarHBondContact O-N 3.21Å; G679-K681 PolarHBondContact O-N 2.6Å
680	E	87.4	Confident	87.1	Confident	94 Å²	94	76.7 Å²	76.7	44%	0.439	40%	0.401	S	S	.	.			trans	-51.3	126.3	-176.7	-89	-174.6	-157.6	0	0	113.4	R675 T678 S693	R675-E680 HydrophobicContact CB-CB 4.09Å; R675-E680 HydrophobicContact CG-CB 3.76Å; R675-E680 IonicContact CZ-OE2 3.18Å; R675-E680 IonicContact NE-OE2 3.54Å; R675-E680 PolarHBondContact NE-OE2 3.32Å; R675-E680 IonicContact NH2-OE2 3.59Å; T678-E680 PolarHBondContact O-N 2.91Å; T678-E680 VanDerWaalsContact O-N 3.16Å; T678-E680 WeakPolarHBondContact OG1-CG 3.5Å; E680-S693 VanDerWaalsContact O-CB 3.3Å; E680-S693 WeakPolarHBondContact O-CB 3.49Å
681	K	87.7	Confident	87.1	Confident	135 Å²	135	78 Å²	78	59%	0.587	41%	0.414	S	S	*	.			trans	-127.1	72.2	175.7	-72.7	159.1	-177.8	170.4	0	111.5	G679 Y683 A691 F692	G679-K681 PolarHBondContact O-N 2.6Å; K681-Y683 PolarHBondContact O-N 3.38Å; K681-Y683 VanDerWaalsContact O-N 3.1Å; K681-A691 HydrophobicContact CB-CB 3.76Å; K681-A691 WeakPolarHBondContact CD-O 3.35Å; K681-F692 CarbonylContact C-O 3.18Å; K681-F692 VanDerWaalsContact C-O 3.24Å; K681-F692 VanDerWaalsContact CA-O 3.28Å; K681-F692 WeakPolarHBondContact CA-O 3.46Å
682	P	89.1	Confident	87.2	Confident	71 Å²	71	76.8 Å²	76.8	46%	0.461	41%	0.406	S	S	.	.			trans	-69.5	-8.4	-173	-19.7	34.4	0	0	0	115
683	Y	88.9	Confident	87.2	Confident	79 Å²	79	76.5 Å²	76.5	31%	0.31	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	81.2	-175	-56	-74	0	0	0	110.3	K681 A691 F692 Q694 K695	K681-Y683 PolarHBondContact O-N 3.38Å; K681-Y683 VanDerWaalsContact O-N 3.1Å; Y683-A691 WeakPolarHBondContact O-CA 3.41Å; Y683-F692 WeakPolarHBondContact CB-O 3.23Å; Y683-F692 WeakPolarHBondContact CD2-O 3.4Å; Y683-F692 PolarHBondContact N-O 3.07Å; Y683-F692 VanDerWaalsContact N-O 3.1Å; Y683-F692 PolarHBondContact O-N 2.98Å; Y683-Q694 VanDerWaalsContact CD2-C 3.42Å; Y683-K695 HydrophobicContact CD1-CB 3.92Å; Y683-K695 HydrophobicContact CD1-CG 4.34Å; Y683-K695 HydrophobicContact CE1-CB 3.76Å; Y683-K695 HydrophobicContact CE1-CD 4.47Å; Y683-K695 HydrophobicContact CE1-CG 4.35Å; Y683-K695 HydrophobicContact CE2-CB 4.38Å; Y683-K695 HydrophobicContact CG-CB 4.3Å
684	G	88.3	Confident	87.2	Confident	46 Å²	46	78.7 Å²	78.7	47%	0.474	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	146.1	170.5	0	0	0	0	0	112.5	L698	G684-L698 WeakPolarHBondContact O-CD2 3.21Å
685	C	90	Very high	87.2	Confident	15 Å²	15	82.1 Å²	82.1	10%	0.101	43%	0.429	C	S	.	.			trans	-84.1	144.1	164.1	-172.3	0	0	0	0	109.9	C688 K690 L698	C685-C688 CarbonylContact C-O 3.48Å; C685-C688 WeakPolarHBondContact CB-O 3.21Å; C685-K690 WeakPolarHBondContact CB-O 3.19Å; C685-K690 PolarHBondContact N-O 3.05Å; C685-L698 HydrophobicContact CB-CD1 3.68Å
686	S	86.3	Confident	87.1	Confident	105 Å²	105	82.8 Å²	82.8	73%	0.734	44%	0.441	S	S	*	.	S	Bend	trans	-80.1	-34	175.8	43.9	0	0	0	0	112.5
687	E	84.6	Confident	87.1	Confident	107 Å²	107	82 Å²	82	50%	0.5	43%	0.431	S	S	.	.	S	Bend	trans	-85.4	-21.4	-173.1	-68.4	148.5	-172.3	0	0	112.8	H705	E687-H705 WeakPolarHBondContact OE2-CB 3.21Å; E687-H705 IonicContact OE2-CD2 3.07Å; E687-H705 PolarHBondContact OE2-CD2 3.49Å; E687-H705 IonicContact OE2-CG 3.36Å
688	C	85.4	Confident	87.2	Confident	31 Å²	31	79.3 Å²	79.3	21%	0.209	42%	0.419	C	S	.	.	S	Bend	trans	-149.2	156.6	167.6	78.7	0	0	0	0	111.6	C685 K690 H701 H705	C685-C688 CarbonylContact C-O 3.48Å; C685-C688 WeakPolarHBondContact CB-O 3.21Å; C688-K690 PolarHBondContact O-N 2.8Å; C688-H701 PolarHBondContact SG-NE2 3.09Å; C688-H705 WeakPolarHBondContact CB-NE2 3.18Å; C688-H705 PolarHBondContact SG-NE2 2.9Å
689	R	82.3	Confident	87.3	Confident	259 Å²	259	78.2 Å²	78.2	98%	0.977	41%	0.412	S	S	*	.	S	Bend	trans	-70.3	24.4	-173.9	-58.6	-178.4	-178.1	171.9	0.4	115.1
690	K	87.7	Confident	87.4	Confident	129 Å²	129	78.3 Å²	78.3	56%	0.561	40%	0.402	S	S	*	.			trans	-88.1	133	177	-68.5	-179.8	-179.5	175.7	0	110.4	C685 C688 F692	C685-K690 WeakPolarHBondContact CB-O 3.19Å; C685-K690 PolarHBondContact N-O 3.05Å; C688-K690 PolarHBondContact O-N 2.8Å; K690-F692 HydrophobicContact CB-CE2 3.97Å; K690-F692 HydrophobicContact CB-CZ 4.04Å
691	A	88.4	Confident	87.4	Confident	42 Å²	42	74.6 Å²	74.6	35%	0.347	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148	178.8	0	0	0	0	0	111.9	K681 Y683	K681-A691 HydrophobicContact CB-CB 3.76Å; K681-A691 WeakPolarHBondContact CD-O 3.35Å; Y683-A691 WeakPolarHBondContact O-CA 3.41Å
692	F	89.4	Confident	87.4	Confident	43 Å²	43	71 Å²	71	19%	0.189	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.7	-170.1	-57.1	-90.1	0	0	0	111.7	K681 Y683 K690 Q697 L698 H701	K681-F692 CarbonylContact C-O 3.18Å; K681-F692 VanDerWaalsContact C-O 3.24Å; K681-F692 VanDerWaalsContact CA-O 3.28Å; K681-F692 WeakPolarHBondContact CA-O 3.46Å; Y683-F692 WeakPolarHBondContact CB-O 3.23Å; Y683-F692 WeakPolarHBondContact CD2-O 3.4Å; Y683-F692 PolarHBondContact N-O 3.07Å; Y683-F692 VanDerWaalsContact N-O 3.1Å; Y683-F692 PolarHBondContact O-N 2.98Å; K690-F692 HydrophobicContact CB-CE2 3.97Å; K690-F692 HydrophobicContact CB-CZ 4.04Å; F692-Q697 HydrophobicContact CB-CB 3.93Å; F692-Q697 HydrophobicContact CD1-CB 3.73Å; F692-Q697 HydrophobicContact CG-CB 4.03Å; F692-L698 HydrophobicContact CD2-CB 4.04Å; F692-L698 HydrophobicContact CD2-CD1 4.09Å; F692-L698 HydrophobicContact CE2-CD1 4.25Å; F692-L698 HydrophobicContact CG-CB 4.5Å; F692-H701 HydrophobicContact CE1-CB 4.27Å; F692-H701 HydrophobicContact CE2-CB 4.01Å; F692-H701 AromaticContact CE2-CD2 3.28Å; F692-H701 WeakPolarHBondContact CE2-CD2 2.9Å; F692-H701 AromaticContact CE2-CG 3.8Å; F692-H701 HydrophobicContact CZ-CB 3.64Å; F692-H701 AromaticContact CZ-CD2 3.4Å; F692-H701 VanDerWaalsContact CZ-CD2 3.4Å; F692-H701 WeakPolarHBondContact CZ-CD2 3.45Å; F692-H701 AromaticContact CZ-CG 3.47Å; F692-H701 VanDerWaalsContact CZ-CG 3.47Å
693	S	86.4	Confident	87.3	Confident	21 Å²	21	69.3 Å²	69.3	15%	0.147	35%	0.354	C	S	.	.	S	Bend	trans	-82.6	-14.8	178.6	61.1	0	0	0	0	113.2	R675 E680	R675-S693 PolarHBondContact NH1-O 2.85Å; E680-S693 VanDerWaalsContact O-CB 3.3Å; E680-S693 WeakPolarHBondContact O-CB 3.49Å
694	Q	88	Confident	87.1	Confident	71 Å²	71	71 Å²	71	33%	0.332	37%	0.368	S	S	.	.	S	Bend	trans	-131.5	137.7	178.1	-52.6	-175.6	16.2	0	0	112.9	P672 Y683 S696 Q697 L698	P672-Q694 HydrophobicContact CB-CG 4.1Å; Y683-Q694 VanDerWaalsContact CD2-C 3.42Å; Q694-S696 WeakPolarHBondContact CB-OG 3.39Å; Q694-S696 PolarHBondContact O-N 2.83Å; Q694-S696 PolarHBondContact OE1-OG 3.4Å; Q694-Q697 HydrophobicContact CB-CG 4.12Å; Q694-Q697 WeakPolarHBondContact O-CB 3.28Å; Q694-Q697 PolarHBondContact O-N 3.34Å; Q694-L698 PolarHBondContact O-N 3.48Å
695	K	87.9	Confident	87	Confident	137 Å²	137	73.7 Å²	73.7	60%	0.596	37%	0.368	S	S	*	.	H	α-helix	trans	-59.1	-32.2	177.2	-172.9	170.7	-179.4	172.4	0	113.4	Y683 Q697 L698 V699	Y683-K695 HydrophobicContact CD1-CB 3.92Å; Y683-K695 HydrophobicContact CD1-CG 4.34Å; Y683-K695 HydrophobicContact CE1-CB 3.76Å; Y683-K695 HydrophobicContact CE1-CD 4.47Å; Y683-K695 HydrophobicContact CE1-CG 4.35Å; Y683-K695 HydrophobicContact CE2-CB 4.38Å; Y683-K695 HydrophobicContact CG-CB 4.3Å; K695-Q697 VanDerWaalsContact C-N 3.3Å; K695-Q697 PolarHBondContact O-N 2.92Å; K695-L698 PolarHBondContact O-N 2.9Å; K695-V699 HydrophobicContact CG-CG2 4.4Å; K695-V699 WeakPolarHBondContact O-CG2 3.47Å; K695-V699 PolarHBondContact O-N 3.44Å
696	S	87.3	Confident	86.7	Confident	63 Å²	63	77 Å²	77	44%	0.441	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-36.5	175	46.3	0	0	0	0	113	Q694 N700	Q694-S696 WeakPolarHBondContact CB-OG 3.39Å; Q694-S696 PolarHBondContact O-N 2.83Å; Q694-S696 PolarHBondContact OE1-OG 3.4Å; S696-N700 WeakPolarHBondContact O-CB 3.31Å; S696-N700 VanDerWaalsContact O-CG 3.3Å; S696-N700 PolarHBondContact O-N 3.3Å; S696-N700 VanDerWaalsContact O-N 3.09Å; S696-N700 PolarHBondContact O-ND2 2.92Å
697	Q	87.9	Confident	86.5	Confident	75 Å²	75	74.1 Å²	74.1	35%	0.35	38%	0.375	S	S	.	.	H	α-helix	trans	-71.1	-44.1	176.8	-64.1	166.2	-19.4	0	0	110.6	F692 Q694 K695 N700 H701	F692-Q697 HydrophobicContact CB-CB 3.93Å; F692-Q697 HydrophobicContact CD1-CB 3.73Å; F692-Q697 HydrophobicContact CG-CB 4.03Å; Q694-Q697 HydrophobicContact CB-CG 4.12Å; Q694-Q697 WeakPolarHBondContact O-CB 3.28Å; Q694-Q697 PolarHBondContact O-N 3.34Å; K695-Q697 VanDerWaalsContact C-N 3.3Å; K695-Q697 PolarHBondContact O-N 2.92Å; Q697-N700 PolarHBondContact O-N 2.7Å; Q697-H701 WeakPolarHBondContact O-CB 3.48Å; Q697-H701 PolarHBondContact O-N 2.64Å
698	L	89.5	Confident	86.6	Confident	20 Å²	20	74 Å²	74	11%	0.105	37%	0.374	C	S	.	.	H	α-helix	trans	-58	-49.7	174.2	174.2	60.7	0	0	0	111.5	G684 C685 F692 Q694 K695 N700 H701 Q702	G684-L698 WeakPolarHBondContact O-CD2 3.21Å; C685-L698 HydrophobicContact CB-CD1 3.68Å; F692-L698 HydrophobicContact CD2-CB 4.04Å; F692-L698 HydrophobicContact CD2-CD1 4.09Å; F692-L698 HydrophobicContact CE2-CD1 4.25Å; F692-L698 HydrophobicContact CG-CB 4.5Å; Q694-L698 PolarHBondContact O-N 3.48Å; K695-L698 PolarHBondContact O-N 2.9Å; L698-N700 VanDerWaalsContact C-N 3.34Å; L698-N700 PolarHBondContact O-N 3.38Å; L698-H701 CarbonylContact O-C 3.55Å; L698-H701 WeakPolarHBondContact O-CA 3.49Å; L698-H701 WeakPolarHBondContact O-CB 3.43Å; L698-H701 PolarHBondContact O-N 2.73Å; L698-Q702 HydrophobicContact CD1-CG 4.07Å; L698-Q702 HydrophobicContact CG-CG 4.46Å; L698-Q702 WeakPolarHBondContact O-CG 3.49Å; L698-Q702 PolarHBondContact O-N 3.27Å
699	V	86.9	Confident	86.7	Confident	55 Å²	55	78.8 Å²	78.8	33%	0.333	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-41	178.9	171.2	0	0	0	0	111.7	K695 H701 Q702	K695-V699 HydrophobicContact CG-CG2 4.4Å; K695-V699 WeakPolarHBondContact O-CG2 3.47Å; K695-V699 PolarHBondContact O-N 3.44Å; V699-H701 VanDerWaalsContact C-N 3.26Å; V699-H701 PolarHBondContact O-N 2.96Å; V699-Q702 PolarHBondContact O-N 3Å
700	N	86.3	Confident	86.9	Confident	47 Å²	47	70 Å²	70	25%	0.251	37%	0.367	S	S	.	.	H	α-helix	trans	-68.8	-23.6	174.7	-74.6	-13.8	0	0	0	113.2	S696 Q697 L698 R703	S696-N700 WeakPolarHBondContact O-CB 3.31Å; S696-N700 VanDerWaalsContact O-CG 3.3Å; S696-N700 PolarHBondContact O-N 3.3Å; S696-N700 VanDerWaalsContact O-N 3.09Å; S696-N700 PolarHBondContact O-ND2 2.92Å; Q697-N700 PolarHBondContact O-N 2.7Å; L698-N700 VanDerWaalsContact C-N 3.34Å; L698-N700 PolarHBondContact O-N 3.38Å; N700-R703 PolarHBondContact OD1-NH1 3.46Å
701	H	87.8	Confident	86.9	Confident	15 Å²	15	67.3 Å²	67.3	7%	0.069	35%	0.354	C	S	.	.	H	α-helix	trans	-80.2	-38.9	174.3	168	48	0	0	0	112.5	C688 F692 Q697 L698 V699 R703 I704	C688-H701 PolarHBondContact SG-NE2 3.09Å; F692-H701 HydrophobicContact CE1-CB 4.27Å; F692-H701 HydrophobicContact CE2-CB 4.01Å; F692-H701 AromaticContact CE2-CD2 3.28Å; F692-H701 WeakPolarHBondContact CE2-CD2 2.9Å; F692-H701 AromaticContact CE2-CG 3.8Å; F692-H701 HydrophobicContact CZ-CB 3.64Å; F692-H701 AromaticContact CZ-CD2 3.4Å; F692-H701 VanDerWaalsContact CZ-CD2 3.4Å; F692-H701 WeakPolarHBondContact CZ-CD2 3.45Å; F692-H701 AromaticContact CZ-CG 3.47Å; F692-H701 VanDerWaalsContact CZ-CG 3.47Å; Q697-H701 WeakPolarHBondContact O-CB 3.48Å; Q697-H701 PolarHBondContact O-N 2.64Å; L698-H701 CarbonylContact O-C 3.55Å; L698-H701 WeakPolarHBondContact O-CA 3.49Å; L698-H701 WeakPolarHBondContact O-CB 3.43Å; L698-H701 PolarHBondContact O-N 2.73Å; V699-H701 VanDerWaalsContact C-N 3.26Å; V699-H701 PolarHBondContact O-N 2.96Å; H701-R703 PolarHBondContact O-N 3.01Å; H701-I704 WeakPolarHBondContact O-CB 3.14Å; H701-I704 WeakPolarHBondContact O-CG1 3.41Å; H701-I704 PolarHBondContact O-N 3.44Å
702	Q	86.5	Confident	86.9	Confident	61 Å²	61	71.3 Å²	71.3	29%	0.285	37%	0.366	S	S	.	.	H	α-helix	trans	-60.1	-27.6	176.3	-70.8	175.1	-71.6	0	0	112.5	L698 V699 I704 H705 T706	L698-Q702 HydrophobicContact CD1-CG 4.07Å; L698-Q702 HydrophobicContact CG-CG 4.46Å; L698-Q702 WeakPolarHBondContact O-CG 3.49Å; L698-Q702 PolarHBondContact O-N 3.27Å; V699-Q702 PolarHBondContact O-N 3Å; Q702-I704 PolarHBondContact O-N 3.45Å; Q702-H705 PolarHBondContact O-N 2.96Å; Q702-H705 VanDerWaalsContact O-N 3.12Å; Q702-T706 PolarHBondContact O-N 3.46Å; Q702-T706 PolarHBondContact O-OG1 3.32Å
703	R	88.3	Confident	86.9	Confident	34 Å²	34	69.3 Å²	69.3	13%	0.128	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-14.5	169.7	-63.9	-157	-167.9	98.7	17.3	115.1	N700 H701 T706 G707 E708 S721	N700-R703 PolarHBondContact OD1-NH1 3.46Å; H701-R703 PolarHBondContact O-N 3.01Å; R703-T706 WeakPolarHBondContact CA-OG1 3.34Å; R703-G707 CarbonylContact O-C 3.44Å; R703-G707 WeakPolarHBondContact O-CA 3.36Å; R703-G707 PolarHBondContact O-N 2.8Å; R703-G707 VanDerWaalsContact O-N 3.15Å; R703-E708 HydrophobicContact CB-CB 4.19Å; R703-E708 HydrophobicContact CG-CB 3.91Å; R703-E708 IonicContact NE-OE2 3.69Å; R703-E708 PolarHBondContact O-N 3Å; R703-S721 PolarHBondContact NH1-O 3.34Å
704	I	84.9	Confident	86.8	Confident	116 Å²	116	76.2 Å²	76.2	60%	0.595	39%	0.391	S	S	*	.	H	α-helix	trans	-77.9	-37.8	173.5	-55.3	178.1	0	0	0	109.9	H701 Q702	H701-I704 WeakPolarHBondContact O-CB 3.14Å; H701-I704 WeakPolarHBondContact O-CG1 3.41Å; H701-I704 PolarHBondContact O-N 3.44Å; Q702-I704 PolarHBondContact O-N 3.45Å
705	H	84.7	Confident	86.7	Confident	102 Å²	102	78.3 Å²	78.3	47%	0.472	40%	0.4	S	S	.	.	H	α-helix	trans	-77.1	-44.2	178.2	-58.4	-55.1	0	0	0	112.1	E687 C688 Q702 G707	E687-H705 WeakPolarHBondContact OE2-CB 3.21Å; E687-H705 IonicContact OE2-CD2 3.07Å; E687-H705 PolarHBondContact OE2-CD2 3.49Å; E687-H705 IonicContact OE2-CG 3.36Å; C688-H705 WeakPolarHBondContact CB-NE2 3.18Å; C688-H705 PolarHBondContact SG-NE2 2.9Å; Q702-H705 PolarHBondContact O-N 2.96Å; Q702-H705 VanDerWaalsContact O-N 3.12Å; H705-G707 VanDerWaalsContact C-N 3.31Å; H705-G707 PolarHBondContact O-N 3.07Å
706	T	84.3	Confident	86.7	Confident	84 Å²	84	74 Å²	74	52%	0.515	39%	0.387	S	S	.	.	S	Bend	trans	-79.4	-9.9	178	54.7	0	0	0	0	114.1	Q702 R703 E708	Q702-T706 PolarHBondContact O-N 3.46Å; Q702-T706 PolarHBondContact O-OG1 3.32Å; R703-T706 WeakPolarHBondContact CA-OG1 3.34Å; T706-E708 PolarHBondContact O-N 3.28Å; T706-E708 VanDerWaalsContact O-N 3.15Å
707	G	82.4	Confident	86.6	Confident	45 Å²	45	72.9 Å²	72.9	46%	0.464	39%	0.385	S	S	.	.			trans	69.1	1.8	-176.5	0	0	0	0	0	115.5	R703 H705 K709	R703-G707 CarbonylContact O-C 3.44Å; R703-G707 WeakPolarHBondContact O-CA 3.36Å; R703-G707 PolarHBondContact O-N 2.8Å; R703-G707 VanDerWaalsContact O-N 3.15Å; H705-G707 VanDerWaalsContact C-N 3.31Å; H705-G707 PolarHBondContact O-N 3.07Å; G707-K709 PolarHBondContact O-N 3.2Å
708	E	86.3	Confident	86.6	Confident	104 Å²	104	75.2 Å²	75.2	49%	0.486	40%	0.395	S	S	.	.			trans	-55.2	129.1	-175.7	-81	-169.2	172.3	0	0	113.4	R703 T706 P710 S721	R703-E708 HydrophobicContact CB-CB 4.19Å; R703-E708 HydrophobicContact CG-CB 3.91Å; R703-E708 IonicContact NE-OE2 3.69Å; R703-E708 PolarHBondContact O-N 3Å; T706-E708 PolarHBondContact O-N 3.28Å; T706-E708 VanDerWaalsContact O-N 3.15Å; E708-P710 HydrophobicContact CB-CG 4.39Å; E708-S721 WeakPolarHBondContact O-CB 3.32Å
709	K	86.6	Confident	86.5	Confident	132 Å²	132	76.3 Å²	76.3	57%	0.574	41%	0.406	S	S	*	.			trans	-126.7	71.7	174.4	-66.7	171.9	-169.5	175.3	0	111.6	G707 Y711 A719 F720	G707-K709 PolarHBondContact O-N 3.2Å; K709-Y711 PolarHBondContact O-N 3.1Å; K709-Y711 VanDerWaalsContact O-N 3.08Å; K709-A719 HydrophobicContact CB-CB 3.7Å; K709-A719 HydrophobicContact CD-CB 4.43Å; K709-F720 CarbonylContact C-O 3.19Å; K709-F720 VanDerWaalsContact CA-O 3.26Å; K709-F720 WeakPolarHBondContact CA-O 3.29Å
710	P	87.3	Confident	86.6	Confident	73 Å²	73	75.7 Å²	75.7	47%	0.474	40%	0.399	S	S	.	.			trans	-71.1	-4.9	-170.6	-18.4	33.6	0	0	0	115.2	E708	E708-P710 HydrophobicContact CB-CG 4.39Å
711	Y	87.6	Confident	86.5	Confident	74 Å²	74	74.7 Å²	74.7	29%	0.29	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	88.8	-173.4	-57.4	-69.5	0	0	0	110.4	K709 F720 Q722 K723	K709-Y711 PolarHBondContact O-N 3.1Å; K709-Y711 VanDerWaalsContact O-N 3.08Å; Y711-F720 WeakPolarHBondContact CB-O 3.37Å; Y711-F720 PolarHBondContact N-O 3.17Å; Y711-F720 VanDerWaalsContact N-O 3.15Å; Y711-F720 PolarHBondContact O-N 3.12Å; Y711-Q722 VanDerWaalsContact CD2-C 3.43Å; Y711-K723 HydrophobicContact CD1-CB 3.93Å; Y711-K723 HydrophobicContact CD1-CG 4.32Å; Y711-K723 HydrophobicContact CD2-CB 4.4Å; Y711-K723 VanDerWaalsContact CD2-N 3.33Å; Y711-K723 HydrophobicContact CE1-CB 3.83Å; Y711-K723 HydrophobicContact CE1-CD 4.43Å; Y711-K723 HydrophobicContact CE1-CG 4.39Å; Y711-K723 HydrophobicContact CE2-CB 4.29Å; Y711-K723 HydrophobicContact CG-CB 4.22Å
712	Q	88.4	Confident	86.4	Confident	126 Å²	126	76.9 Å²	76.9	59%	0.589	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	138.8	177.9	-159.5	174.5	16.3	0	0	112.1	G717 A719	Q712-G717 VanDerWaalsContact CG-O 3.25Å; Q712-G717 WeakPolarHBondContact CG-O 3.4Å; Q712-G717 PolarHBondContact NE2-O 2.78Å; Q712-A719 HydrophobicContact CG-CB 4.49Å
713	C	90.1	Very high	86.4	Confident	1 Å²	1	80 Å²	80	1%	0.007	42%	0.418	C	S	.	.			trans	-81.2	121.5	169	-169	0	0	0	0	109.9	E715 G717 K718 L726	C713-E715 VanDerWaalsContact C-N 3.31Å; C713-E715 PolarHBondContact O-N 2.89Å; C713-G717 VanDerWaalsContact O-CA 3.28Å; C713-G717 WeakPolarHBondContact O-CA 3.21Å; C713-G717 PolarHBondContact O-N 2.88Å; C713-K718 WeakPolarHBondContact CB-O 3.26Å; C713-K718 PolarHBondContact N-O 3.23Å; C713-L726 HydrophobicContact CB-CD1 3.58Å
714	I	85.2	Confident	86.3	Confident	166 Å²	166	81.2 Å²	81.2	85%	0.851	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-34.8	-179.2	-57	174.1	0	0	0	110.9	C716	I714-C716 PolarHBondContact O-N 3.11Å
715	E	85.1	Confident	86.4	Confident	114 Å²	114	79.3 Å²	79.3	53%	0.533	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.6	-174.3	-61	178.8	113.3	0	0	114.3	C713 H733	C713-E715 VanDerWaalsContact C-N 3.31Å; C713-E715 PolarHBondContact O-N 2.89Å; E715-H733 WeakPolarHBondContact OE2-CB 3.43Å; E715-H733 IonicContact OE2-CD2 2.74Å; E715-H733 PolarHBondContact OE2-CD2 3.19Å; E715-H733 IonicContact OE2-CG 3.72Å
716	C	88.5	Confident	86.6	Confident	47 Å²	47	75.2 Å²	75.2	32%	0.318	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.8	8.5	-173.4	73.3	0	0	0	0	115.1	I714 K718 H729 H733	I714-C716 PolarHBondContact O-N 3.11Å; C716-K718 PolarHBondContact O-N 2.71Å; C716-H729 PolarHBondContact SG-NE2 3.24Å; C716-H733 VanDerWaalsContact CB-NE2 3.31Å; C716-H733 WeakPolarHBondContact CB-NE2 3.49Å
717	G	84.1	Confident	86.7	Confident	39 Å²	39	74.4 Å²	74.4	40%	0.402	39%	0.394	S	S	.	.			trans	69.4	-10	178.6	0	0	0	0	0	116.6	Q712 C713 A719	Q712-G717 VanDerWaalsContact CG-O 3.25Å; Q712-G717 WeakPolarHBondContact CG-O 3.4Å; Q712-G717 PolarHBondContact NE2-O 2.78Å; C713-G717 VanDerWaalsContact O-CA 3.28Å; C713-G717 WeakPolarHBondContact O-CA 3.21Å; C713-G717 PolarHBondContact O-N 2.88Å; G717-A719 PolarHBondContact O-N 3.23Å
718	K	88.2	Confident	86.9	Confident	125 Å²	125	76.7 Å²	76.7	54%	0.543	40%	0.396	S	S	.	.			trans	-66.2	128.7	-174.4	-68.2	-174.7	179.6	-175.5	0	112.4	C713 C716 F720	C713-K718 WeakPolarHBondContact CB-O 3.26Å; C713-K718 PolarHBondContact N-O 3.23Å; C716-K718 PolarHBondContact O-N 2.71Å; K718-F720 HydrophobicContact CB-CE2 3.82Å; K718-F720 HydrophobicContact CB-CZ 4.06Å; K718-F720 WeakPolarHBondContact O-CD2 3.29Å; K718-F720 WeakPolarHBondContact O-CE2 3.42Å
719	A	88	Confident	86.9	Confident	42 Å²	42	73 Å²	73	35%	0.347	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.7	-178.8	0	0	0	0	0	112.9	K709 Q712 G717	K709-A719 HydrophobicContact CB-CB 3.7Å; K709-A719 HydrophobicContact CD-CB 4.43Å; Q712-A719 HydrophobicContact CG-CB 4.49Å; G717-A719 PolarHBondContact O-N 3.23Å
720	F	87.5	Confident	86.9	Confident	43 Å²	43	70 Å²	70	19%	0.189	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.1	-176.5	-60.2	-90.7	0	0	0	111.9	K709 Y711 K718 Q725 L726 H729	K709-F720 CarbonylContact C-O 3.19Å; K709-F720 VanDerWaalsContact CA-O 3.26Å; K709-F720 WeakPolarHBondContact CA-O 3.29Å; Y711-F720 WeakPolarHBondContact CB-O 3.37Å; Y711-F720 PolarHBondContact N-O 3.17Å; Y711-F720 VanDerWaalsContact N-O 3.15Å; Y711-F720 PolarHBondContact O-N 3.12Å; K718-F720 HydrophobicContact CB-CE2 3.82Å; K718-F720 HydrophobicContact CB-CZ 4.06Å; K718-F720 WeakPolarHBondContact O-CD2 3.29Å; K718-F720 WeakPolarHBondContact O-CE2 3.42Å; F720-Q725 HydrophobicContact CB-CB 4.08Å; F720-Q725 HydrophobicContact CD1-CB 3.73Å; F720-Q725 HydrophobicContact CG-CB 4.15Å; F720-L726 HydrophobicContact CB-CB 4.45Å; F720-L726 HydrophobicContact CD2-CB 4.1Å; F720-L726 HydrophobicContact CD2-CD1 4.02Å; F720-L726 HydrophobicContact CE2-CD1 4.23Å; F720-L726 HydrophobicContact CG-CB 4.44Å; F720-H729 HydrophobicContact CE1-CB 4.25Å; F720-H729 HydrophobicContact CE2-CB 4.11Å; F720-H729 AromaticContact CE2-CD2 3.37Å; F720-H729 WeakPolarHBondContact CE2-CD2 3.47Å; F720-H729 AromaticContact CE2-CG 3.97Å; F720-H729 HydrophobicContact CZ-CB 3.68Å; F720-H729 AromaticContact CZ-CD2 3.31Å; F720-H729 WeakPolarHBondContact CZ-CD2 3.46Å; F720-H729 AromaticContact CZ-CG 3.53Å
721	S	84.4	Confident	86.9	Confident	25 Å²	25	73.6 Å²	73.6	18%	0.175	37%	0.371	C	S	.	.	S	Bend	trans	-83.4	-14.9	178.7	60.8	0	0	0	0	113.4	R703 E708 Q725	R703-S721 PolarHBondContact NH1-O 3.34Å; E708-S721 WeakPolarHBondContact O-CB 3.32Å; S721-Q725 PolarHBondContact OG-OE1 3.11Å
722	Q	85.6	Confident	86.7	Confident	61 Å²	61	73.5 Å²	73.5	29%	0.285	38%	0.378	S	S	.	.	S	Bend	trans	-133	139	176.9	-53.4	-175.6	14.2	0	0	112.6	Y711 S724 Q725 L726	Y711-Q722 VanDerWaalsContact CD2-C 3.43Å; Q722-S724 WeakPolarHBondContact CB-OG 3.47Å; Q722-S724 PolarHBondContact O-N 2.98Å; Q722-S724 PolarHBondContact OE1-OG 3.3Å; Q722-Q725 HydrophobicContact CB-CG 4.13Å; Q722-Q725 WeakPolarHBondContact O-CB 3.46Å; Q722-Q725 PolarHBondContact O-N 2.99Å; Q722-Q725 VanDerWaalsContact O-N 3.09Å; Q722-L726 PolarHBondContact O-N 3.13Å
723	K	86.3	Confident	86.3	Confident	126 Å²	126	70.2 Å²	70.2	55%	0.548	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-29.5	178	-172.5	170.8	179.7	173.2	0	113.4	Y711 L726 I727	Y711-K723 HydrophobicContact CD1-CB 3.93Å; Y711-K723 HydrophobicContact CD1-CG 4.32Å; Y711-K723 HydrophobicContact CD2-CB 4.4Å; Y711-K723 VanDerWaalsContact CD2-N 3.33Å; Y711-K723 HydrophobicContact CE1-CB 3.83Å; Y711-K723 HydrophobicContact CE1-CD 4.43Å; Y711-K723 HydrophobicContact CE1-CG 4.39Å; Y711-K723 HydrophobicContact CE2-CB 4.29Å; Y711-K723 HydrophobicContact CG-CB 4.22Å; K723-L726 PolarHBondContact O-N 2.61Å; K723-I727 HydrophobicContact CG-CD1 3.99Å; K723-I727 HydrophobicContact CG-CG1 4.39Å; K723-I727 WeakPolarHBondContact O-CG1 3.44Å; K723-I727 PolarHBondContact O-N 3.01Å
724	S	86.6	Confident	85.3	Confident	60 Å²	60	74.5 Å²	74.5	42%	0.42	39%	0.388	S	S	.	.	H	α-helix	trans	-60.7	-41.9	173.3	43.2	0	0	0	0	112.4	Q722 I727 N728	Q722-S724 WeakPolarHBondContact CB-OG 3.47Å; Q722-S724 PolarHBondContact O-N 2.98Å; Q722-S724 PolarHBondContact OE1-OG 3.3Å; S724-I727 PolarHBondContact O-N 2.88Å; S724-N728 WeakPolarHBondContact O-CB 3.28Å; S724-N728 PolarHBondContact O-N 3.23Å
725	Q	87.4	Confident	84.2	Confident	77 Å²	77	72 Å²	72	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-66.3	-43.9	176.6	-62.9	165.8	-20.6	0	0	110.7	F720 S721 Q722 N728 H729	F720-Q725 HydrophobicContact CB-CB 4.08Å; F720-Q725 HydrophobicContact CD1-CB 3.73Å; F720-Q725 HydrophobicContact CG-CB 4.15Å; S721-Q725 PolarHBondContact OG-OE1 3.11Å; Q722-Q725 HydrophobicContact CB-CG 4.13Å; Q722-Q725 WeakPolarHBondContact O-CB 3.46Å; Q722-Q725 PolarHBondContact O-N 2.99Å; Q722-Q725 VanDerWaalsContact O-N 3.09Å; Q725-N728 PolarHBondContact O-N 3.45Å; Q725-H729 WeakPolarHBondContact O-CB 3.37Å; Q725-H729 PolarHBondContact O-N 3.4Å
726	L	88.4	Confident	82.7	Confident	16 Å²	16	75 Å²	75	8%	0.084	39%	0.392	C	S	.	.	H	α-helix	trans	-59.6	-47.7	174.5	174.8	60.5	0	0	0	111.8	C713 F720 Q722 K723 N728 H729 Q730	C713-L726 HydrophobicContact CB-CD1 3.58Å; F720-L726 HydrophobicContact CB-CB 4.45Å; F720-L726 HydrophobicContact CD2-CB 4.1Å; F720-L726 HydrophobicContact CD2-CD1 4.02Å; F720-L726 HydrophobicContact CE2-CD1 4.23Å; F720-L726 HydrophobicContact CG-CB 4.44Å; Q722-L726 PolarHBondContact O-N 3.13Å; K723-L726 PolarHBondContact O-N 2.61Å; L726-N728 PolarHBondContact O-N 3.32Å; L726-H729 WeakPolarHBondContact O-CB 3.47Å; L726-H729 PolarHBondContact O-N 3.49Å; L726-H729 VanDerWaalsContact O-N 3.14Å; L726-Q730 HydrophobicContact CD1-CG 3.98Å; L726-Q730 HydrophobicContact CG-CG 4.39Å; L726-Q730 WeakPolarHBondContact O-CG 3.44Å; L726-Q730 PolarHBondContact O-N 3.26Å
727	I	86.7	Confident	81	Confident	67 Å²	67	81 Å²	81	34%	0.344	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-43.5	178.9	-70.3	165.8	0	0	0	111.2	K723 S724 H729 Q730 R731	K723-I727 HydrophobicContact CG-CD1 3.99Å; K723-I727 HydrophobicContact CG-CG1 4.39Å; K723-I727 WeakPolarHBondContact O-CG1 3.44Å; K723-I727 PolarHBondContact O-N 3.01Å; S724-I727 PolarHBondContact O-N 2.88Å; I727-H729 VanDerWaalsContact C-N 3.3Å; I727-H729 PolarHBondContact O-N 3.19Å; I727-Q730 PolarHBondContact O-N 3.38Å; I727-R731 WeakPolarHBondContact O-CG 3.21Å; I727-R731 PolarHBondContact O-N 3.34Å
728	N	86.9	Confident	78.8	Confident	92 Å²	92	87.7 Å²	87.7	49%	0.492	45%	0.453	S	S	.	.	H	α-helix	trans	-65.7	-34	176.3	-76.2	-7.3	0	0	0	112.1	S724 Q725 L726 R731	S724-N728 WeakPolarHBondContact O-CB 3.28Å; S724-N728 PolarHBondContact O-N 3.23Å; Q725-N728 PolarHBondContact O-N 3.45Å; L726-N728 PolarHBondContact O-N 3.32Å; N728-R731 PolarHBondContact OD1-NH1 2.97Å
729	H	87.2	Confident	78.3	Confident	27 Å²	27	85.8 Å²	85.8	13%	0.125	45%	0.449	C	S	.	.	H	α-helix	trans	-70.2	-42.1	173.6	178.4	41.8	0	0	0	112.7	C716 F720 Q725 L726 I727 R731 T732 H733	C716-H729 PolarHBondContact SG-NE2 3.24Å; F720-H729 HydrophobicContact CE1-CB 4.25Å; F720-H729 HydrophobicContact CE2-CB 4.11Å; F720-H729 AromaticContact CE2-CD2 3.37Å; F720-H729 WeakPolarHBondContact CE2-CD2 3.47Å; F720-H729 AromaticContact CE2-CG 3.97Å; F720-H729 HydrophobicContact CZ-CB 3.68Å; F720-H729 AromaticContact CZ-CD2 3.31Å; F720-H729 WeakPolarHBondContact CZ-CD2 3.46Å; F720-H729 AromaticContact CZ-CG 3.53Å; Q725-H729 WeakPolarHBondContact O-CB 3.37Å; Q725-H729 PolarHBondContact O-N 3.4Å; L726-H729 WeakPolarHBondContact O-CB 3.47Å; L726-H729 PolarHBondContact O-N 3.49Å; L726-H729 VanDerWaalsContact O-N 3.14Å; I727-H729 VanDerWaalsContact C-N 3.3Å; I727-H729 PolarHBondContact O-N 3.19Å; H729-R731 PolarHBondContact O-N 3.01Å; H729-T732 PolarHBondContact ND1-OG1 3.03Å; H729-T732 WeakPolarHBondContact O-CA 3.31Å; H729-T732 WeakPolarHBondContact O-CB 3.28Å; H729-T732 PolarHBondContact O-N 3.35Å; H729-T732 PolarHBondContact O-OG1 2.95Å; H729-H733 AromaticContact CE1-NE2 3.8Å
730	Q	85.5	Confident	77.8	Confident	69 Å²	69	88.1 Å²	88.1	32%	0.322	45%	0.454	S	S	.	.	H	α-helix	trans	-58.6	-34.6	176.3	-72.9	174.2	-55.1	0	0	112	L726 I727 T732 H733 T734	L726-Q730 HydrophobicContact CD1-CG 3.98Å; L726-Q730 HydrophobicContact CG-CG 4.39Å; L726-Q730 WeakPolarHBondContact O-CG 3.44Å; L726-Q730 PolarHBondContact O-N 3.26Å; I727-Q730 PolarHBondContact O-N 3.38Å; Q730-T732 PolarHBondContact O-N 2.84Å; Q730-H733 WeakPolarHBondContact O-CB 3.43Å; Q730-H733 PolarHBondContact O-N 2.8Å; Q730-T734 PolarHBondContact O-N 3.39Å
731	R	86.6	Confident	77.3	Confident	149 Å²	149	90.6 Å²	90.6	56%	0.562	47%	0.469	S	S	*	.	H	α-helix	trans	-60.3	-26	171.2	-68.5	169.5	175.6	177.9	-8.8	113.8	I727 N728 H729 H733 T734 V735	I727-R731 WeakPolarHBondContact O-CG 3.21Å; I727-R731 PolarHBondContact O-N 3.34Å; N728-R731 PolarHBondContact OD1-NH1 2.97Å; H729-R731 PolarHBondContact O-N 3.01Å; R731-H733 VanDerWaalsContact C-N 3.31Å; R731-T734 WeakPolarHBondContact CA-OG1 3.43Å; R731-T734 PolarHBondContact O-N 2.88Å; R731-T734 PolarHBondContact O-OG1 3.27Å; R731-V735 VanDerWaalsContact O-CG2 3.29Å; R731-V735 WeakPolarHBondContact O-CG2 3.2Å; R731-V735 PolarHBondContact O-N 2.85Å; R731-V735 VanDerWaalsContact O-N 3.1Å
732	T	84.6	Confident	76.8	Confident	71 Å²	71	94.5 Å²	94.5	44%	0.436	49%	0.486	S	S	.	.	H	α-helix	trans	-75.9	-18.4	175.1	70.8	0	0	0	0	113.2	H729 Q730	H729-T732 PolarHBondContact ND1-OG1 3.03Å; H729-T732 WeakPolarHBondContact O-CA 3.31Å; H729-T732 WeakPolarHBondContact O-CB 3.28Å; H729-T732 PolarHBondContact O-N 3.35Å; H729-T732 PolarHBondContact O-OG1 2.95Å; Q730-T732 PolarHBondContact O-N 2.84Å
733	H	79.8	Confident	76.3	Confident	58 Å²	58	96.6 Å²	96.6	27%	0.269	50%	0.499	S	S	.	.	H	α-helix	trans	-81.1	-38.8	169.5	-62.7	-52.2	0	0	0	111.3	E715 C716 H729 Q730 R731 K736	E715-H733 WeakPolarHBondContact OE2-CB 3.43Å; E715-H733 IonicContact OE2-CD2 2.74Å; E715-H733 PolarHBondContact OE2-CD2 3.19Å; E715-H733 IonicContact OE2-CG 3.72Å; C716-H733 VanDerWaalsContact CB-NE2 3.31Å; C716-H733 WeakPolarHBondContact CB-NE2 3.49Å; H729-H733 AromaticContact CE1-NE2 3.8Å; Q730-H733 WeakPolarHBondContact O-CB 3.43Å; Q730-H733 PolarHBondContact O-N 2.8Å; R731-H733 VanDerWaalsContact C-N 3.31Å; H733-K736 PolarHBondContact O-N 2.88Å
734	T	69.2	Low	75.6	Confident	90 Å²	90	94.6 Å²	94.6	55%	0.552	50%	0.495	S	S	*	.	H	α-helix	trans	-68.6	-34.5	177	58	0	0	0	0	113.2	Q730 R731 K736 K737	Q730-T734 PolarHBondContact O-N 3.39Å; R731-T734 WeakPolarHBondContact CA-OG1 3.43Å; R731-T734 PolarHBondContact O-N 2.88Å; R731-T734 PolarHBondContact O-OG1 3.27Å; T734-K736 VanDerWaalsContact C-N 3.26Å; T734-K736 PolarHBondContact O-N 2.71Å; T734-K737 PolarHBondContact O-N 2.94Å
735	V	61.5	Low	74.9	Confident	115 Å²	115	97.1 Å²	97.1	70%	0.697	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.2	177.4	173.1	0	0	0	0	112.9	R731	R731-V735 VanDerWaalsContact O-CG2 3.29Å; R731-V735 WeakPolarHBondContact O-CG2 3.2Å; R731-V735 PolarHBondContact O-N 2.85Å; R731-V735 VanDerWaalsContact O-N 3.1Å
736	K	54.6	Low	73.9	Confident	177 Å²	177	98.6 Å²	98.6	77%	0.77	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	17.5	174.9	-77.6	-165.4	169.7	-159.2	0	113.9	H733 T734	H733-K736 PolarHBondContact O-N 2.88Å; T734-K736 VanDerWaalsContact C-N 3.26Å; T734-K736 PolarHBondContact O-N 2.71Å
737	K	51.7	Low	72.7	Confident	172 Å²	172	105.5 Å²	105.5	75%	0.748	55%	0.547	S	S	*	.			trans	-131.4	45.4	178.5	-76.1	-175	170.3	176.8	0	111.3	T734	T734-K737 PolarHBondContact O-N 2.94Å
738	S	38	Very low	71.4	Confident	179 Å²	179	109 Å²	109	100%	1.252	57%	0.566	S	S	*	*			trans	-147	0	174.9	-59.7	0	0	0	0	108.5

Retrieved 738 of 738 residues in 261.4 ms (Link to these results)

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