A0A087WXT3_HUMAN Loading...

Zinc finger protein 33B

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WXT3, Species HUMAN (Homo sapiens, Human), Gene ZNF33B, Length 778 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	38.1	Very low	234 Å²	234	154.3 Å²	154.3	100%	1.153	86%	0.862	S	S	*	*				0	132.1	0	-79	165.8	71	0	0	108.2
2	S	32.2	Very low	39.9	Very low	113 Å²	113	148.2 Å²	148.2	79%	0.79	83%	0.831	S	S	*	*			trans	67.1	92.5	164.2	-11	0	0	0	0	117.1
3	A	33.2	Very low	42.1	Very low	102 Å²	102	139.5 Å²	139.5	84%	0.843	79%	0.786	S	S	*	*				85	95	81.7	0	0	0	0	0	112.4
4	V	32.8	Very low	44.3	Very low	141 Å²	141	130.4 Å²	130.4	86%	0.855	73%	0.734	S	S	*	*			trans	-100.4	116.1	167.2	174	0	0	0	0	106.8	Q6	V4-Q6 PolarHBondContact O-N 2.89Å
5	D	31.6	Very low	46	Very low	164 Å²	164	133.9 Å²	133.9	88%	0.877	74%	0.737	S	S	*	*			trans	-66.2	115.5	176.1	-103	-28.4	0	0	0	110.7
6	Q	39	Very low	47.7	Very low	168 Å²	168	132.6 Å²	132.6	79%	0.785	73%	0.729	S	S	*	*			trans	-89.2	100.9	176.9	-165.8	166.1	5.9	0	0	108.2	V4 F8	V4-Q6 PolarHBondContact O-N 2.89Å; Q6-F8 PolarHBondContact O-N 3.34Å
7	K	32.8	Very low	49.1	Very low	202 Å²	202	127.5 Å²	127.5	88%	0.878	70%	0.703	S	S	*	*			trans	-74.4	111.2	168.3	-86.8	-175.6	175.7	179.3	0	109.3	Q9	K7-Q9 PolarHBondContact O-N 3Å
8	F	38.5	Very low	50.4	Low	198 Å²	198	122.8 Å²	122.8	87%	0.868	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-55.6	116.7	168	-92.2	-99.6	0	0	0	110.3	Q6	Q6-F8 PolarHBondContact O-N 3.34Å
9	Q	43.3	Very low	51.5	Low	188 Å²	188	120.8 Å²	120.8	88%	0.879	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-88.7	127	167.2	-149.6	157.3	-1.2	0	0	106.7	K7 S11	K7-Q9 PolarHBondContact O-N 3Å; Q9-S11 PolarHBondContact O-N 3.03Å
10	G	46	Very low	52.4	Low	73 Å²	73	117.8 Å²	117.8	75%	0.753	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-49.2	127.8	-169	0	0	0	0	0	113.1	V12	G10-V12 PolarHBondContact O-N 3.17Å
11	S	54.2	Low	53.5	Low	114 Å²	114	115.4 Å²	115.4	80%	0.797	65%	0.65	S	S	*	*			trans	-71.8	114.7	178.5	55.2	0	0	0	0	109.7	Q9 S13	Q9-S11 PolarHBondContact O-N 3.03Å; S11-S13 PolarHBondContact O-N 3.37Å
12	V	59.7	Low	55.2	Low	81 Å²	81	107.4 Å²	107.4	49%	0.491	61%	0.614	S	S	.	*			trans	-66.7	124.9	171.5	179.1	0	0	0	0	108.8	G10 D16 V17 L48	G10-V12 PolarHBondContact O-N 3.17Å; V12-D16 HydrophobicContact CG1-CB 4.22Å; V12-V17 HydrophobicContact CG1-CG1 3.72Å; V12-L48 HydrophobicContact CB-CD2 4.43Å; V12-L48 HydrophobicContact CG1-CD2 4.07Å
13	S	68.8	Low	56.9	Low	35 Å²	35	106.7 Å²	106.7	25%	0.245	60%	0.598	C	S	.	*			trans	-95.3	161.1	177.5	80.1	0	0	0	0	111.4	S11 K15 D16	S11-S13 PolarHBondContact O-N 3.37Å; S13-K15 PolarHBondContact O-N 3.4Å; S13-D16 WeakPolarHBondContact CA-OD2 3.37Å; S13-D16 VanDerWaalsContact CB-OD2 3.32Å; S13-D16 WeakPolarHBondContact CB-OD2 2.91Å; S13-D16 PolarHBondContact N-OD2 3.05Å; S13-D16 WeakPolarHBondContact O-CB 3.23Å; S13-D16 PolarHBondContact O-N 3.43Å; S13-D16 VanDerWaalsContact OG-CG 3.29Å; S13-D16 PolarHBondContact OG-OD2 3.3Å
14	F	73.3	Confident	58.6	Low	13 Å²	13	107.6 Å²	107.6	6%	0.057	59%	0.585	C	S	.	*	G	3₁₀ helix	trans	-57.7	-31.7	177.3	-174.7	-102	0	0	0	112.8	D16 V17 T18 M41 Y45 L48 P58 I61	F14-D16 VanDerWaalsContact C-N 3.26Å; F14-D16 PolarHBondContact O-N 3.34Å; F14-V17 WeakPolarHBondContact O-CG2 3.49Å; F14-V17 PolarHBondContact O-N 3.36Å; F14-T18 VanDerWaalsContact CD1-OG1 3.22Å; F14-T18 WeakPolarHBondContact CD1-OG1 3.13Å; F14-T18 HydrophobicContact CE1-CG2 4.43Å; F14-T18 WeakPolarHBondContact CE1-OG1 3.45Å; F14-T18 VanDerWaalsContact CZ-OG1 3.27Å; F14-T18 WeakPolarHBondContact CZ-OG1 3.32Å; F14-T18 VanDerWaalsContact O-CB 3.31Å; F14-T18 WeakPolarHBondContact O-CB 3.5Å; F14-T18 PolarHBondContact O-N 3.44Å; F14-T18 VanDerWaalsContact O-N 3.13Å; F14-T18 PolarHBondContact O-OG1 3.05Å; F14-M41 HydrophobicContact CE1-CE 4.34Å; F14-M41 HydrophobicContact CZ-CE 3.87Å; F14-Y45 AromaticContact CD2-CD2 3.96Å; F14-Y45 HydrophobicContact CD2-CD2 3.96Å; F14-Y45 HydrophobicContact CE2-CD2 4.12Å; F14-Y45 HydrophobicContact CE2-CG 4.42Å; F14-L48 HydrophobicContact CB-CD1 4.02Å; F14-L48 HydrophobicContact CD2-CD1 3.72Å; F14-L48 HydrophobicContact CG-CD1 4.35Å; F14-P58 HydrophobicContact CB-CG 4.12Å; F14-P58 HydrophobicContact CD1-CB 3.69Å; F14-P58 HydrophobicContact CD1-CG 3.37Å; F14-P58 HydrophobicContact CD2-CG 4.23Å; F14-P58 HydrophobicContact CE1-CB 3.76Å; F14-P58 HydrophobicContact CE1-CG 3.81Å; F14-P58 HydrophobicContact CG-CB 4.43Å; F14-P58 HydrophobicContact CG-CG 3.63Å; F14-P58 HydrophobicContact CZ-CG 4.46Å; F14-I61 HydrophobicContact CE1-CD1 4.35Å; F14-I61 HydrophobicContact CE1-CG1 3.98Å; F14-I61 HydrophobicContact CE2-CD1 3.87Å; F14-I61 HydrophobicContact CE2-CG1 3.82Å; F14-I61 HydrophobicContact CZ-CD1 3.4Å; F14-I61 HydrophobicContact CZ-CG1 3.38Å
15	K	69.4	Low	60.6	Low	182 Å²	182	105.8 Å²	105.8	79%	0.791	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-65.7	-27.9	177.1	-69	-173.8	177.9	-177.1	0	113	S13 V17	S13-K15 PolarHBondContact O-N 3.4Å; K15-V17 VanDerWaalsContact C-N 3.28Å; K15-V17 PolarHBondContact O-N 3.02Å
16	D	73.4	Confident	62.8	Low	114 Å²	114	98.5 Å²	98.5	61%	0.61	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-78	-16.4	-177.3	-54.4	-47.6	0	0	0	112.9	V12 S13 F14	V12-D16 HydrophobicContact CG1-CB 4.22Å; S13-D16 WeakPolarHBondContact CA-OD2 3.37Å; S13-D16 VanDerWaalsContact CB-OD2 3.32Å; S13-D16 WeakPolarHBondContact CB-OD2 2.91Å; S13-D16 PolarHBondContact N-OD2 3.05Å; S13-D16 WeakPolarHBondContact O-CB 3.23Å; S13-D16 PolarHBondContact O-N 3.43Å; S13-D16 VanDerWaalsContact OG-CG 3.29Å; S13-D16 PolarHBondContact OG-OD2 3.3Å; F14-D16 VanDerWaalsContact C-N 3.26Å; F14-D16 PolarHBondContact O-N 3.34Å
17	V	70.3	Confident	64.4	Low	46 Å²	46	97.1 Å²	97.1	28%	0.279	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-120	7.4	-179.9	-58.5	0	0	0	0	112.6	V12 F14 K15 N44 L48	V12-V17 HydrophobicContact CG1-CG1 3.72Å; F14-V17 WeakPolarHBondContact O-CG2 3.49Å; F14-V17 PolarHBondContact O-N 3.36Å; K15-V17 VanDerWaalsContact C-N 3.28Å; K15-V17 PolarHBondContact O-N 3.02Å; V17-N44 HydrophobicContact CG2-CB 4.44Å; V17-N44 PolarHBondContact O-ND2 2.9Å; V17-L48 HydrophobicContact CG2-CD1 3.3Å; V17-L48 HydrophobicContact CG2-CG 4.1Å
18	T	73.7	Confident	66.4	Low	42 Å²	42	95 Å²	95	26%	0.258	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-94.1	129.7	176.4	-69.6	0	0	0	0	109.5	F14 M41	F14-T18 VanDerWaalsContact CD1-OG1 3.22Å; F14-T18 WeakPolarHBondContact CD1-OG1 3.13Å; F14-T18 HydrophobicContact CE1-CG2 4.43Å; F14-T18 WeakPolarHBondContact CE1-OG1 3.45Å; F14-T18 VanDerWaalsContact CZ-OG1 3.27Å; F14-T18 WeakPolarHBondContact CZ-OG1 3.32Å; F14-T18 VanDerWaalsContact O-CB 3.31Å; F14-T18 WeakPolarHBondContact O-CB 3.5Å; F14-T18 PolarHBondContact O-N 3.44Å; F14-T18 VanDerWaalsContact O-N 3.13Å; F14-T18 PolarHBondContact O-OG1 3.05Å; T18-M41 HydrophobicContact CG2-CE 3.3Å; T18-M41 HydrophobicContact CG2-SD 4.44Å
19	V	71.3	Confident	68.3	Low	86 Å²	86	87 Å²	87	52%	0.521	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-93.7	119.8	164.8	-178.7	0	0	0	0	106.5	F21 Y37	V19-F21 HydrophobicContact CG1-CE2 4.16Å; V19-F21 HydrophobicContact CG1-CZ 4.38Å; V19-Y37 HydrophobicContact CB-CE2 4.48Å; V19-Y37 WeakPolarHBondContact O-CE2 3.32Å; V19-Y37 PolarHBondContact O-OH 3.48Å
20	G	69.7	Low	70	Confident	59 Å²	59	81.2 Å²	81.2	61%	0.608	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-93.9	141.3	173.6	0	0	0	0	0	110.2
21	F	74.9	Confident	71.4	Confident	69 Å²	69	83.1 Å²	83.1	30%	0.303	45%	0.454	S	S	.	.			trans	-111.3	143	169.4	-76.1	-78.8	0	0	0	109.7	V19 E25 W26 L29 Y37	V19-F21 HydrophobicContact CG1-CE2 4.16Å; V19-F21 HydrophobicContact CG1-CZ 4.38Å; F21-E25 HydrophobicContact CD1-CB 3.97Å; F21-W26 HydrophobicContact CB-CB 4.38Å; F21-W26 HydrophobicContact CB-CE3 3.95Å; F21-W26 AromaticContact CD2-CE3 3.83Å; F21-W26 HydrophobicContact CD2-CE3 3.83Å; F21-W26 AromaticContact CD2-CZ3 3.94Å; F21-W26 HydrophobicContact CD2-CZ3 3.94Å; F21-W26 HydrophobicContact CG-CE3 4.01Å; F21-L29 HydrophobicContact CD1-CD1 4.18Å; F21-L29 HydrophobicContact CD2-CD1 4.29Å; F21-L29 HydrophobicContact CE1-CD1 4Å; F21-L29 HydrophobicContact CE1-CD2 4.48Å; F21-L29 HydrophobicContact CE2-CD1 4.12Å; F21-L29 HydrophobicContact CG-CD1 4.31Å; F21-L29 HydrophobicContact CZ-CD1 3.97Å; F21-Y37 AromaticContact CD2-CD2 3.79Å; F21-Y37 HydrophobicContact CD2-CD2 3.79Å; F21-Y37 AromaticContact CD2-CE2 3.51Å; F21-Y37 HydrophobicContact CD2-CE2 3.51Å; F21-Y37 AromaticContact CE2-CD2 3.42Å; F21-Y37 HydrophobicContact CE2-CD2 3.42Å; F21-Y37 VanDerWaalsContact CE2-CD2 3.42Å; F21-Y37 AromaticContact CE2-CE2 3.55Å; F21-Y37 HydrophobicContact CE2-CE2 3.55Å; F21-Y37 HydrophobicContact CE2-CG 4.27Å
22	T	71.9	Confident	72.3	Confident	66 Å²	66	81.7 Å²	81.7	41%	0.405	44%	0.444	S	S	.	.			trans	-75.6	164.2	164.9	81.3	0	0	0	0	110.4	E24 E25 W26	T22-E24 VanDerWaalsContact C-N 3.25Å; T22-E24 VanDerWaalsContact CB-OE2 3.27Å; T22-E24 WeakPolarHBondContact CB-OE2 3.39Å; T22-E24 PolarHBondContact O-N 2.98Å; T22-E24 PolarHBondContact OG1-OE2 3.02Å; T22-E25 PolarHBondContact N-OE2 3.07Å; T22-E25 VanDerWaalsContact N-OE2 3.13Å; T22-E25 PolarHBondContact O-N 3.07Å; T22-E25 WeakPolarHBondContact OG1-CG 3.14Å; T22-E25 PolarHBondContact OG1-N 3.43Å; T22-W26 PolarHBondContact O-N 3.05Å
23	Q	66.4	Low	73.2	Confident	98 Å²	98	82 Å²	82	46%	0.458	44%	0.44	S	S	.	.	H	α-helix	trans	-61.1	-37.9	-178.9	-173.9	176	2	0	0	111.5	Q27 W71	Q23-Q27 WeakPolarHBondContact O-CG 3.44Å; Q23-Q27 PolarHBondContact O-N 3.28Å; Q23-W71 HydrophobicContact CG-CZ2 4.11Å
24	E	68.8	Low	73.9	Confident	121 Å²	121	83.9 Å²	83.9	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-66.6	-45.5	178.4	-55.1	74.9	-160.8	0	0	111	T22 W26 Q27 H28	T22-E24 VanDerWaalsContact C-N 3.25Å; T22-E24 VanDerWaalsContact CB-OE2 3.27Å; T22-E24 WeakPolarHBondContact CB-OE2 3.39Å; T22-E24 PolarHBondContact O-N 2.98Å; T22-E24 PolarHBondContact OG1-OE2 3.02Å; E24-W26 VanDerWaalsContact C-N 3.33Å; E24-W26 PolarHBondContact O-N 3.34Å; E24-Q27 PolarHBondContact O-N 2.94Å; E24-H28 PolarHBondContact O-CD2 2.87Å; E24-H28 PolarHBondContact O-N 3.17Å
25	E	75.9	Confident	74.1	Confident	102 Å²	102	85.6 Å²	85.6	48%	0.477	46%	0.458	S	S	.	.	H	α-helix	trans	-64.8	-38	179.6	-67.6	175.6	150.4	0	0	112	F21 T22 H28 L29	F21-E25 HydrophobicContact CD1-CB 3.97Å; T22-E25 PolarHBondContact N-OE2 3.07Å; T22-E25 VanDerWaalsContact N-OE2 3.13Å; T22-E25 PolarHBondContact O-N 3.07Å; T22-E25 WeakPolarHBondContact OG1-CG 3.14Å; T22-E25 PolarHBondContact OG1-N 3.43Å; E25-H28 PolarHBondContact O-N 2.73Å; E25-L29 PolarHBondContact O-N 2.91Å
26	W	78	Confident	74.6	Confident	12 Å²	12	82 Å²	82	5%	0.045	45%	0.448	C	S	.	.	H	α-helix	trans	-70.9	-32.9	178.9	-173.4	-90.1	0	0	0	113.3	F21 T22 E24 H28 L29 R34 Y37 P70 W71	F21-W26 HydrophobicContact CB-CB 4.38Å; F21-W26 HydrophobicContact CB-CE3 3.95Å; F21-W26 AromaticContact CD2-CE3 3.83Å; F21-W26 HydrophobicContact CD2-CE3 3.83Å; F21-W26 AromaticContact CD2-CZ3 3.94Å; F21-W26 HydrophobicContact CD2-CZ3 3.94Å; F21-W26 HydrophobicContact CG-CE3 4.01Å; T22-W26 PolarHBondContact O-N 3.05Å; E24-W26 VanDerWaalsContact C-N 3.33Å; E24-W26 PolarHBondContact O-N 3.34Å; W26-H28 PolarHBondContact O-N 3.12Å; W26-L29 HydrophobicContact CD2-CD1 4.2Å; W26-L29 HydrophobicContact CE3-CD1 3.67Å; W26-L29 HydrophobicContact CZ3-CD1 4.1Å; W26-L29 WeakPolarHBondContact O-CB 3.42Å; W26-L29 PolarHBondContact O-N 2.95Å; W26-R34 HydrophobicContact CD2-CG 4.38Å; W26-R34 HydrophobicContact CH2-CB 4.24Å; W26-R34 HydrophobicContact CH2-CG 4.28Å; W26-R34 HydrophobicContact CZ2-CB 3.9Å; W26-R34 HydrophobicContact CZ2-CG 3.79Å; W26-R34 PolarHBondContact O-NE 3.47Å; W26-R34 PolarHBondContact O-NH2 3.5Å; W26-Y37 AromaticContact CH2-CD1 3.24Å; W26-Y37 HydrophobicContact CH2-CD1 3.24Å; W26-Y37 AromaticContact CH2-CE1 3.71Å; W26-Y37 HydrophobicContact CH2-CE1 3.71Å; W26-Y37 AromaticContact CH2-CG 3.83Å; W26-Y37 HydrophobicContact CH2-CG 3.83Å; W26-Y37 AromaticContact CZ3-CD1 3.26Å; W26-Y37 HydrophobicContact CZ3-CD1 3.26Å; W26-Y37 HydrophobicContact CZ3-CD2 4.18Å; W26-Y37 AromaticContact CZ3-CE1 3.51Å; W26-Y37 HydrophobicContact CZ3-CE1 3.51Å; W26-Y37 HydrophobicContact CZ3-CE2 4.4Å; W26-Y37 AromaticContact CZ3-CG 3.55Å; W26-Y37 HydrophobicContact CZ3-CG 3.55Å; W26-P70 HydrophobicContact CH2-CG 4Å; W26-P70 HydrophobicContact CZ2-CG 4.03Å; W26-P70 HydrophobicContact CZ3-CG 4.26Å; W26-W71 HydrophobicContact CB-CH2 3.38Å; W26-W71 HydrophobicContact CB-CZ3 3.75Å; W26-W71 AromaticContact CD1-CH2 3.24Å; W26-W71 AromaticContact CD2-CH2 3.91Å; W26-W71 HydrophobicContact CD2-CH2 3.91Å; W26-W71 AromaticContact CD2-CZ3 3.98Å; W26-W71 HydrophobicContact CD2-CZ3 3.98Å; W26-W71 HydrophobicContact CE3-CZ3 4.49Å; W26-W71 AromaticContact CG-CH2 3.23Å; W26-W71 HydrophobicContact CG-CH2 3.23Å; W26-W71 HydrophobicContact CG-CZ2 4.35Å; W26-W71 AromaticContact CG-CZ3 3.69Å; W26-W71 HydrophobicContact CG-CZ3 3.69Å; W26-W71 AromaticContact NE1-CH2 3.78Å
27	Q	72.1	Confident	75.3	Confident	138 Å²	138	77.7 Å²	77.7	65%	0.645	42%	0.423	S	S	*	.	H	α-helix	trans	-62.5	-27.3	173.6	-75.5	-157.7	-2	0	0	112.4	Q23 E24 L29 R34	Q23-Q27 WeakPolarHBondContact O-CG 3.44Å; Q23-Q27 PolarHBondContact O-N 3.28Å; E24-Q27 PolarHBondContact O-N 2.94Å; Q27-L29 VanDerWaalsContact C-N 3.33Å; Q27-R34 PolarHBondContact O-NH2 3.14Å
28	H	75.1	Confident	75.8	Confident	158 Å²	158	79.7 Å²	79.7	73%	0.731	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.4	174.5	-66.4	-57.4	0	0	0	114.3	E24 E25 W26	E24-H28 PolarHBondContact O-CD2 2.87Å; E24-H28 PolarHBondContact O-N 3.17Å; E25-H28 PolarHBondContact O-N 2.73Å; W26-H28 PolarHBondContact O-N 3.12Å
29	L	77.7	Confident	76.2	Confident	31 Å²	31	82.5 Å²	82.5	16%	0.162	44%	0.439	C	S	.	.	S	Bend	trans	-80.7	131.2	175.4	-62.1	179.1	0	0	0	111.3	F21 E25 W26 Q27 Q33 R34	F21-L29 HydrophobicContact CD1-CD1 4.18Å; F21-L29 HydrophobicContact CD2-CD1 4.29Å; F21-L29 HydrophobicContact CE1-CD1 4Å; F21-L29 HydrophobicContact CE1-CD2 4.48Å; F21-L29 HydrophobicContact CE2-CD1 4.12Å; F21-L29 HydrophobicContact CG-CD1 4.31Å; F21-L29 HydrophobicContact CZ-CD1 3.97Å; E25-L29 PolarHBondContact O-N 2.91Å; W26-L29 HydrophobicContact CD2-CD1 4.2Å; W26-L29 HydrophobicContact CE3-CD1 3.67Å; W26-L29 HydrophobicContact CZ3-CD1 4.1Å; W26-L29 WeakPolarHBondContact O-CB 3.42Å; W26-L29 PolarHBondContact O-N 2.95Å; Q27-L29 VanDerWaalsContact C-N 3.33Å; L29-Q33 HydrophobicContact CB-CB 4.15Å; L29-Q33 HydrophobicContact CD2-CB 4.2Å; L29-R34 HydrophobicContact CB-CG 3.81Å; L29-R34 PolarHBondContact O-NE 3.06Å; L29-R34 PolarHBondContact O-NH2 3.1Å
30	D	79.3	Confident	76.8	Confident	66 Å²	66	81.1 Å²	81.1	35%	0.353	43%	0.43	S	S	.	.			trans	-72.7	163.6	173.4	74.7	56.9	0	0	0	111.8	S32 Q33 R34	D30-S32 PolarHBondContact O-N 3.01Å; D30-S32 VanDerWaalsContact O-N 3.13Å; D30-S32 WeakPolarHBondContact OD1-CA 3.11Å; D30-S32 VanDerWaalsContact OD1-CB 3.32Å; D30-S32 WeakPolarHBondContact OD1-CB 3.21Å; D30-S32 PolarHBondContact OD1-N 3.13Å; D30-S32 PolarHBondContact OD1-OG 3.06Å; D30-Q33 PolarHBondContact O-N 3.33Å; D30-Q33 VanDerWaalsContact O-N 3.07Å; D30-Q33 PolarHBondContact OD1-N 3.35Å; D30-Q33 VanDerWaalsContact OD2-CD 3.23Å; D30-Q33 WeakPolarHBondContact OD2-CG 3.06Å; D30-Q33 PolarHBondContact OD2-OE1 3.4Å; D30-R34 PolarHBondContact O-N 3.16Å
31	P	75.7	Confident	77.5	Confident	113 Å²	113	78.4 Å²	78.4	73%	0.734	40%	0.402	S	S	*	.	H	α-helix	trans	-58.2	-29.5	-176.5	-26.5	35.6	0	0	0	114.7	A35	P31-A35 WeakPolarHBondContact O-CB 3.39Å; P31-A35 PolarHBondContact O-N 3.46Å; P31-A35 VanDerWaalsContact O-N 3.07Å
32	S	73.8	Confident	77.8	Confident	84 Å²	84	77.3 Å²	77.3	59%	0.587	40%	0.399	S	S	*	.	H	α-helix	trans	-75.6	-34.9	178.6	75.2	0	0	0	0	111.9	D30 L36	D30-S32 PolarHBondContact O-N 3.01Å; D30-S32 VanDerWaalsContact O-N 3.13Å; D30-S32 WeakPolarHBondContact OD1-CA 3.11Å; D30-S32 VanDerWaalsContact OD1-CB 3.32Å; D30-S32 WeakPolarHBondContact OD1-CB 3.21Å; D30-S32 PolarHBondContact OD1-N 3.13Å; D30-S32 PolarHBondContact OD1-OG 3.06Å; S32-L36 WeakPolarHBondContact O-CB 3.48Å; S32-L36 PolarHBondContact O-N 3.22Å
33	Q	77.9	Confident	78.4	Confident	87 Å²	87	79.9 Å²	79.9	41%	0.407	41%	0.406	S	S	.	.	H	α-helix	trans	-70.2	-39.6	173.9	-67.2	174.5	-31.6	0	0	111.9	L29 D30 L36 Y37	L29-Q33 HydrophobicContact CB-CB 4.15Å; L29-Q33 HydrophobicContact CD2-CB 4.2Å; D30-Q33 PolarHBondContact O-N 3.33Å; D30-Q33 VanDerWaalsContact O-N 3.07Å; D30-Q33 PolarHBondContact OD1-N 3.35Å; D30-Q33 VanDerWaalsContact OD2-CD 3.23Å; D30-Q33 WeakPolarHBondContact OD2-CG 3.06Å; D30-Q33 PolarHBondContact OD2-OE1 3.4Å; Q33-L36 PolarHBondContact O-N 3.3Å; Q33-Y37 PolarHBondContact O-N 3.03Å
34	R	82.8	Confident	79.1	Confident	74 Å²	74	77.4 Å²	77.4	28%	0.279	40%	0.396	S	S	.	.	H	α-helix	trans	-65.5	-38.7	174.2	-64.2	-178.5	-169.9	-172.8	5.3	112.1	W26 Q27 L29 D30 Y37 R38 E69	W26-R34 HydrophobicContact CD2-CG 4.38Å; W26-R34 HydrophobicContact CH2-CB 4.24Å; W26-R34 HydrophobicContact CH2-CG 4.28Å; W26-R34 HydrophobicContact CZ2-CB 3.9Å; W26-R34 HydrophobicContact CZ2-CG 3.79Å; W26-R34 PolarHBondContact O-NE 3.47Å; W26-R34 PolarHBondContact O-NH2 3.5Å; Q27-R34 PolarHBondContact O-NH2 3.14Å; L29-R34 HydrophobicContact CB-CG 3.81Å; L29-R34 PolarHBondContact O-NE 3.06Å; L29-R34 PolarHBondContact O-NH2 3.1Å; D30-R34 PolarHBondContact O-N 3.16Å; R34-Y37 PolarHBondContact O-N 2.92Å; R34-R38 PolarHBondContact O-N 3.14Å; R34-E69 IonicContact NH1-OE1 3.25Å
35	A	77.3	Confident	79.7	Confident	49 Å²	49	73.4 Å²	73.4	41%	0.405	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-44.4	173.5	0	0	0	0	0	111.6	P31 Y37 R38 D39	P31-A35 WeakPolarHBondContact O-CB 3.39Å; P31-A35 PolarHBondContact O-N 3.46Å; P31-A35 VanDerWaalsContact O-N 3.07Å; A35-Y37 VanDerWaalsContact C-N 3.33Å; A35-Y37 PolarHBondContact O-N 3.1Å; A35-R38 WeakPolarHBondContact O-CB 3.43Å; A35-R38 PolarHBondContact O-N 3.17Å; A35-D39 PolarHBondContact O-N 3.49Å
36	L	81.4	Confident	79.9	Confident	108 Å²	108	71.6 Å²	71.6	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-61	-42.2	175.6	-178.7	63.6	0	0	0	111.8	S32 Q33 R38 D39 V40	S32-L36 WeakPolarHBondContact O-CB 3.48Å; S32-L36 PolarHBondContact O-N 3.22Å; Q33-L36 PolarHBondContact O-N 3.3Å; L36-R38 PolarHBondContact O-N 2.79Å; L36-D39 PolarHBondContact O-N 3.37Å; L36-V40 HydrophobicContact CD1-CG2 4.1Å; L36-V40 HydrophobicContact CG-CG2 4.34Å; L36-V40 WeakPolarHBondContact O-CB 3.39Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.37Å; L36-V40 PolarHBondContact O-N 2.86Å
37	Y	87.3	Confident	80	Confident	23 Å²	23	75 Å²	75	9%	0.09	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-45.6	175	175.6	-94.6	0	0	0	112	V19 F21 W26 Q33 R34 A35 D39 V40 M41 L64 P70	V19-Y37 HydrophobicContact CB-CE2 4.48Å; V19-Y37 WeakPolarHBondContact O-CE2 3.32Å; V19-Y37 PolarHBondContact O-OH 3.48Å; F21-Y37 AromaticContact CD2-CD2 3.79Å; F21-Y37 HydrophobicContact CD2-CD2 3.79Å; F21-Y37 AromaticContact CD2-CE2 3.51Å; F21-Y37 HydrophobicContact CD2-CE2 3.51Å; F21-Y37 AromaticContact CE2-CD2 3.42Å; F21-Y37 HydrophobicContact CE2-CD2 3.42Å; F21-Y37 VanDerWaalsContact CE2-CD2 3.42Å; F21-Y37 AromaticContact CE2-CE2 3.55Å; F21-Y37 HydrophobicContact CE2-CE2 3.55Å; F21-Y37 HydrophobicContact CE2-CG 4.27Å; W26-Y37 AromaticContact CH2-CD1 3.24Å; W26-Y37 HydrophobicContact CH2-CD1 3.24Å; W26-Y37 AromaticContact CH2-CE1 3.71Å; W26-Y37 HydrophobicContact CH2-CE1 3.71Å; W26-Y37 AromaticContact CH2-CG 3.83Å; W26-Y37 HydrophobicContact CH2-CG 3.83Å; W26-Y37 AromaticContact CZ3-CD1 3.26Å; W26-Y37 HydrophobicContact CZ3-CD1 3.26Å; W26-Y37 HydrophobicContact CZ3-CD2 4.18Å; W26-Y37 AromaticContact CZ3-CE1 3.51Å; W26-Y37 HydrophobicContact CZ3-CE1 3.51Å; W26-Y37 HydrophobicContact CZ3-CE2 4.4Å; W26-Y37 AromaticContact CZ3-CG 3.55Å; W26-Y37 HydrophobicContact CZ3-CG 3.55Å; Q33-Y37 PolarHBondContact O-N 3.03Å; R34-Y37 PolarHBondContact O-N 2.92Å; A35-Y37 VanDerWaalsContact C-N 3.33Å; A35-Y37 PolarHBondContact O-N 3.1Å; Y37-D39 VanDerWaalsContact C-N 3.34Å; Y37-D39 PolarHBondContact O-N 3.42Å; Y37-V40 PolarHBondContact O-N 3.18Å; Y37-M41 HydrophobicContact CD1-CG 4.03Å; Y37-M41 HydrophobicContact CD2-CG 3.9Å; Y37-M41 HydrophobicContact CE1-CG 3.81Å; Y37-M41 HydrophobicContact CE2-CG 3.64Å; Y37-M41 HydrophobicContact CE2-SD 4.05Å; Y37-M41 HydrophobicContact CG-CG 4.16Å; Y37-M41 VanDerWaalsContact O-CB 3.31Å; Y37-M41 WeakPolarHBondContact O-CB 3.44Å; Y37-M41 WeakPolarHBondContact O-CG 3.44Å; Y37-M41 PolarHBondContact O-N 3.37Å; Y37-L64 HydrophobicContact CD1-CD1 4.42Å; Y37-L64 HydrophobicContact CD1-CD2 4.46Å; Y37-L64 HydrophobicContact CE1-CD1 4.02Å; Y37-L64 HydrophobicContact CE1-CD2 4.43Å; Y37-P70 HydrophobicContact CE1-CG 4.23Å
38	R	81.5	Confident	80.2	Confident	87 Å²	87	69 Å²	69	33%	0.328	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-49.8	175.8	178	-178.9	-71.5	166.1	0.4	110.7	R34 A35 L36 V40 M41 L42 L64 G67	R34-R38 PolarHBondContact O-N 3.14Å; A35-R38 WeakPolarHBondContact O-CB 3.43Å; A35-R38 PolarHBondContact O-N 3.17Å; L36-R38 PolarHBondContact O-N 2.79Å; R38-V40 PolarHBondContact O-N 3.02Å; R38-M41 PolarHBondContact O-N 3.24Å; R38-L42 HydrophobicContact CG-CD1 3.86Å; R38-L42 HydrophobicContact CG-CG 4.43Å; R38-L42 WeakPolarHBondContact O-CB 3.48Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.5Å; R38-L42 PolarHBondContact O-N 3.05Å; R38-L64 HydrophobicContact CB-CD2 4.19Å; R38-L64 WeakPolarHBondContact CD-O 3.23Å; R38-L64 HydrophobicContact CG-CB 4.3Å; R38-L64 HydrophobicContact CG-CD2 4.25Å; R38-L64 PolarHBondContact NE-O 3.22Å; R38-L64 VanDerWaalsContact NE-O 3.16Å; R38-G67 PolarHBondContact NH2-O 2.94Å
39	D	81.4	Confident	80.2	Confident	101 Å²	101	64.8 Å²	64.8	54%	0.54	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-45.9	-177.9	-70.8	-13.2	0	0	0	111.6	A35 L36 Y37 E43	A35-D39 PolarHBondContact O-N 3.49Å; L36-D39 PolarHBondContact O-N 3.37Å; Y37-D39 VanDerWaalsContact C-N 3.34Å; Y37-D39 PolarHBondContact O-N 3.42Å; D39-E43 VanDerWaalsContact O-CB 3.27Å; D39-E43 WeakPolarHBondContact O-CB 3.49Å; D39-E43 PolarHBondContact O-N 3.07Å
40	V	83.7	Confident	80	Confident	58 Å²	58	67.8 Å²	67.8	35%	0.352	38%	0.375	S	S	.	.	H	α-helix	trans	-65.4	-42.2	179.9	171.2	0	0	0	0	111.6	L36 Y37 R38 E43 N44	L36-V40 HydrophobicContact CD1-CG2 4.1Å; L36-V40 HydrophobicContact CG-CG2 4.34Å; L36-V40 WeakPolarHBondContact O-CB 3.39Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.37Å; L36-V40 PolarHBondContact O-N 2.86Å; Y37-V40 PolarHBondContact O-N 3.18Å; R38-V40 PolarHBondContact O-N 3.02Å; V40-E43 PolarHBondContact O-N 3.42Å; V40-N44 WeakPolarHBondContact O-CB 3.48Å; V40-N44 PolarHBondContact O-N 2.83Å; V40-N44 PolarHBondContact O-OD1 2.9Å
41	M	84.7	Confident	79.7	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	39%	0.393	C	S	.	.	H	α-helix	trans	-69.3	-39.1	-178.7	-70.6	-62.4	-74.9	0	0	112.3	F14 T18 Y37 R38 Y45 I61 L64	F14-M41 HydrophobicContact CE1-CE 4.34Å; F14-M41 HydrophobicContact CZ-CE 3.87Å; T18-M41 HydrophobicContact CG2-CE 3.3Å; T18-M41 HydrophobicContact CG2-SD 4.44Å; Y37-M41 HydrophobicContact CD1-CG 4.03Å; Y37-M41 HydrophobicContact CD2-CG 3.9Å; Y37-M41 HydrophobicContact CE1-CG 3.81Å; Y37-M41 HydrophobicContact CE2-CG 3.64Å; Y37-M41 HydrophobicContact CE2-SD 4.05Å; Y37-M41 HydrophobicContact CG-CG 4.16Å; Y37-M41 VanDerWaalsContact O-CB 3.31Å; Y37-M41 WeakPolarHBondContact O-CB 3.44Å; Y37-M41 WeakPolarHBondContact O-CG 3.44Å; Y37-M41 PolarHBondContact O-N 3.37Å; R38-M41 PolarHBondContact O-N 3.24Å; M41-Y45 PolarHBondContact O-N 2.78Å; M41-Y45 VanDerWaalsContact O-N 3.07Å; M41-I61 HydrophobicContact CB-CD1 4.17Å; M41-I61 WeakPolarHBondContact O-CD1 3.48Å; M41-L64 HydrophobicContact CB-CD1 3.82Å; M41-L64 HydrophobicContact CG-CD1 4.4Å
42	L	82.1	Confident	79.3	Confident	46 Å²	46	67.6 Å²	67.6	24%	0.241	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-39.6	173.7	-66	176.9	0	0	0	111.8	R38 Y45 S46 I61 L64 E65	R38-L42 HydrophobicContact CG-CD1 3.86Å; R38-L42 HydrophobicContact CG-CG 4.43Å; R38-L42 WeakPolarHBondContact O-CB 3.48Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.5Å; R38-L42 PolarHBondContact O-N 3.05Å; L42-Y45 PolarHBondContact O-N 3.05Å; L42-S46 WeakPolarHBondContact O-CB 3.43Å; L42-S46 PolarHBondContact O-N 3.16Å; L42-I61 HydrophobicContact CD2-CD1 4.36Å; L42-I61 HydrophobicContact CD2-CG2 3.94Å; L42-L64 HydrophobicContact CD2-CB 4.33Å; L42-E65 HydrophobicContact CD2-CG 3.53Å
43	E	83.3	Confident	79.1	Confident	120 Å²	120	67.1 Å²	67.1	56%	0.561	37%	0.371	S	S	*	.	H	α-helix	trans	-65.1	-42	175.8	-174.2	170	-167.1	0	0	111.5	D39 V40 Y45 S46 N47	D39-E43 VanDerWaalsContact O-CB 3.27Å; D39-E43 WeakPolarHBondContact O-CB 3.49Å; D39-E43 PolarHBondContact O-N 3.07Å; V40-E43 PolarHBondContact O-N 3.42Å; E43-Y45 PolarHBondContact O-N 3.49Å; E43-S46 PolarHBondContact O-N 3.33Å; E43-N47 WeakPolarHBondContact O-CB 3.38Å; E43-N47 PolarHBondContact O-N 3.42Å; E43-N47 PolarHBondContact O-ND2 3.18Å; E43-N47 VanDerWaalsContact O-ND2 3.13Å
44	N	81.6	Confident	78	Confident	47 Å²	47	69.3 Å²	69.3	25%	0.251	40%	0.395	S	S	.	.	H	α-helix	trans	-61.8	-43.5	175.1	-75.3	-7	0	0	0	112	V17 V40 N47 L48	V17-N44 HydrophobicContact CG2-CB 4.44Å; V17-N44 PolarHBondContact O-ND2 2.9Å; V40-N44 WeakPolarHBondContact O-CB 3.48Å; V40-N44 PolarHBondContact O-N 2.83Å; V40-N44 PolarHBondContact O-OD1 2.9Å; N44-N47 PolarHBondContact O-N 3.27Å; N44-L48 WeakPolarHBondContact O-CG 3.36Å; N44-L48 PolarHBondContact O-N 3.14Å
45	Y	82.1	Confident	77	Confident	36 Å²	36	68.3 Å²	68.3	14%	0.141	40%	0.402	C	S	.	.	H	α-helix	trans	-63.2	-45.7	174.8	-178.7	-109.6	0	0	0	112	F14 M41 L42 E43 N47 L48 V49 K57 P58 I61	F14-Y45 AromaticContact CD2-CD2 3.96Å; F14-Y45 HydrophobicContact CD2-CD2 3.96Å; F14-Y45 HydrophobicContact CE2-CD2 4.12Å; F14-Y45 HydrophobicContact CE2-CG 4.42Å; M41-Y45 PolarHBondContact O-N 2.78Å; M41-Y45 VanDerWaalsContact O-N 3.07Å; L42-Y45 PolarHBondContact O-N 3.05Å; E43-Y45 PolarHBondContact O-N 3.49Å; Y45-N47 VanDerWaalsContact C-N 3.29Å; Y45-N47 PolarHBondContact O-N 3.42Å; Y45-L48 PolarHBondContact O-N 2.77Å; Y45-L48 VanDerWaalsContact O-N 3.14Å; Y45-V49 HydrophobicContact CD1-CG2 4.25Å; Y45-V49 HydrophobicContact CD2-CG2 4.4Å; Y45-V49 HydrophobicContact CE1-CG2 3.81Å; Y45-V49 HydrophobicContact CE2-CG2 3.95Å; Y45-V49 WeakPolarHBondContact O-CG2 3.19Å; Y45-V49 PolarHBondContact O-N 3.45Å; Y45-K57 HydrophobicContact CE1-CD 4.4Å; Y45-K57 HydrophobicContact CE1-CG 4.21Å; Y45-P58 HydrophobicContact CD2-CG 4.35Å; Y45-P58 VanDerWaalsContact CE2-CD 3.45Å; Y45-P58 HydrophobicContact CE2-CG 4.27Å; Y45-I61 HydrophobicContact CD1-CG2 3.65Å; Y45-I61 HydrophobicContact CD2-CG1 4.23Å; Y45-I61 HydrophobicContact CE1-CG2 4.12Å; Y45-I61 HydrophobicContact CG-CB 4.5Å; Y45-I61 HydrophobicContact CG-CG1 4.02Å; Y45-I61 HydrophobicContact CG-CG2 3.88Å
46	S	79.9	Confident	76.2	Confident	65 Å²	65	74.6 Å²	74.6	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-40	177.3	-180	0	0	0	0	112.3	L42 E43 S50	L42-S46 WeakPolarHBondContact O-CB 3.43Å; L42-S46 PolarHBondContact O-N 3.16Å; E43-S46 PolarHBondContact O-N 3.33Å; S46-S50 WeakPolarHBondContact O-CB 3.29Å; S46-S50 PolarHBondContact O-N 3.25Å; S46-S50 PolarHBondContact O-OG 3.38Å
47	N	78.8	Confident	75.9	Confident	84 Å²	84	72.8 Å²	72.8	45%	0.449	41%	0.41	S	S	.	.	H	α-helix	trans	-67.2	-39.7	176.2	-71.5	-29.6	0	0	0	111.5	E43 N44 Y45 S50 V51	E43-N47 WeakPolarHBondContact O-CB 3.38Å; E43-N47 PolarHBondContact O-N 3.42Å; E43-N47 PolarHBondContact O-ND2 3.18Å; E43-N47 VanDerWaalsContact O-ND2 3.13Å; N44-N47 PolarHBondContact O-N 3.27Å; Y45-N47 VanDerWaalsContact C-N 3.29Å; Y45-N47 PolarHBondContact O-N 3.42Å; N47-S50 WeakPolarHBondContact O-CB 3.28Å; N47-S50 PolarHBondContact O-N 3.49Å; N47-V51 PolarHBondContact O-N 2.88Å
48	L	77.3	Confident	75.4	Confident	12 Å²	12	73 Å²	73	6%	0.063	41%	0.414	C	S	.	.	H	α-helix	trans	-66.1	-40.7	175.7	-77.4	176.2	0	0	0	113.3	V12 F14 V17 N44 Y45 S50 V51 G52 Y53	V12-L48 HydrophobicContact CB-CD2 4.43Å; V12-L48 HydrophobicContact CG1-CD2 4.07Å; F14-L48 HydrophobicContact CB-CD1 4.02Å; F14-L48 HydrophobicContact CD2-CD1 3.72Å; F14-L48 HydrophobicContact CG-CD1 4.35Å; V17-L48 HydrophobicContact CG2-CD1 3.3Å; V17-L48 HydrophobicContact CG2-CG 4.1Å; N44-L48 WeakPolarHBondContact O-CG 3.36Å; N44-L48 PolarHBondContact O-N 3.14Å; Y45-L48 PolarHBondContact O-N 2.77Å; Y45-L48 VanDerWaalsContact O-N 3.14Å; L48-S50 VanDerWaalsContact C-N 3.27Å; L48-S50 PolarHBondContact O-N 3.25Å; L48-V51 HydrophobicContact CD2-CG2 4.34Å; L48-V51 WeakPolarHBondContact O-CG2 3.4Å; L48-V51 PolarHBondContact O-N 3.46Å; L48-G52 PolarHBondContact O-N 3.4Å; L48-Y53 WeakPolarHBondContact O-CB 3.36Å; L48-Y53 PolarHBondContact O-N 2.96Å
49	V	75.3	Confident	75	Confident	68 Å²	68	73.5 Å²	73.5	41%	0.412	42%	0.421	S	S	.	.	H	α-helix	trans	-62.7	-38.4	172.8	174.7	0	0	0	0	110.5	Y45 V51 G52	Y45-V49 HydrophobicContact CD1-CG2 4.25Å; Y45-V49 HydrophobicContact CD2-CG2 4.4Å; Y45-V49 HydrophobicContact CE1-CG2 3.81Å; Y45-V49 HydrophobicContact CE2-CG2 3.95Å; Y45-V49 WeakPolarHBondContact O-CG2 3.19Å; Y45-V49 PolarHBondContact O-N 3.45Å; V49-V51 VanDerWaalsContact C-N 3.26Å; V49-V51 PolarHBondContact O-N 2.98Å; V49-G52 PolarHBondContact O-N 3.2Å; V49-G52 VanDerWaalsContact O-N 3.11Å
50	S	72.8	Confident	74.7	Confident	94 Å²	94	70.8 Å²	70.8	66%	0.657	41%	0.408	S	S	*	.	H	α-helix	trans	-67.3	-22.1	178.9	-60.2	0	0	0	0	114.1	S46 N47 L48	S46-S50 WeakPolarHBondContact O-CB 3.29Å; S46-S50 PolarHBondContact O-N 3.25Å; S46-S50 PolarHBondContact O-OG 3.38Å; N47-S50 WeakPolarHBondContact O-CB 3.28Å; N47-S50 PolarHBondContact O-N 3.49Å; L48-S50 VanDerWaalsContact C-N 3.27Å; L48-S50 PolarHBondContact O-N 3.25Å
51	V	73.3	Confident	74.6	Confident	119 Å²	119	68 Å²	68	72%	0.721	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	11	174.5	-60.5	0	0	0	0	113.4	N47 L48 V49	N47-V51 PolarHBondContact O-N 2.88Å; L48-V51 HydrophobicContact CD2-CG2 4.34Å; L48-V51 WeakPolarHBondContact O-CG2 3.4Å; L48-V51 PolarHBondContact O-N 3.46Å; V49-V51 VanDerWaalsContact C-N 3.26Å; V49-V51 PolarHBondContact O-N 2.98Å
52	G	66.7	Low	74.4	Confident	57 Å²	57	72.4 Å²	72.4	59%	0.588	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	21.3	169.1	0	0	0	0	0	115.6	L48 V49 C54	L48-G52 PolarHBondContact O-N 3.4Å; V49-G52 PolarHBondContact O-N 3.2Å; V49-G52 VanDerWaalsContact O-N 3.11Å; G52-C54 PolarHBondContact O-N 3.46Å
53	Y	70.1	Confident	74	Confident	73 Å²	73	71.5 Å²	71.5	29%	0.286	40%	0.404	S	S	.	.			trans	-70.2	113.7	174.8	-169.3	-100.8	0	0	0	111.7	L48 A55	L48-Y53 WeakPolarHBondContact O-CB 3.36Å; L48-Y53 PolarHBondContact O-N 2.96Å; Y53-A55 HydrophobicContact CD1-CB 4.42Å; Y53-A55 HydrophobicContact CE1-CB 3.64Å; Y53-A55 HydrophobicContact CE2-CB 4.5Å
54	C	55.7	Low	73.8	Confident	134 Å²	134	66 Å²	66	91%	0.905	38%	0.378	S	S	*	.			trans	-114.6	60.7	179.4	-77.4	0	0	0	0	112.5	G52	G52-C54 PolarHBondContact O-N 3.46Å
55	A	61.2	Low	73.7	Confident	52 Å²	52	68.6 Å²	68.6	43%	0.43	39%	0.388	S	S	.	.	S	Bend	trans	-124.9	163.4	167.9	0	0	0	0	0	111.6	Y53 K57	Y53-A55 HydrophobicContact CD1-CB 4.42Å; Y53-A55 HydrophobicContact CE1-CB 3.64Å; Y53-A55 HydrophobicContact CE2-CB 4.5Å; A55-K57 PolarHBondContact O-N 3.38Å
56	H	60.2	Low	73.2	Confident	182 Å²	182	71.9 Å²	71.9	84%	0.843	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-48.9	134.5	-178.8	-137	-60.6	0	0	0	111.1
57	K	74.3	Confident	72.5	Confident	69 Å²	69	70.8 Å²	70.8	30%	0.3	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-55	126.2	-179.1	-172.9	169.3	-167	164.2	0	110.7	Y45 A55 E59 I61 E65	Y45-K57 HydrophobicContact CE1-CD 4.4Å; Y45-K57 HydrophobicContact CE1-CG 4.21Å; A55-K57 PolarHBondContact O-N 3.38Å; K57-E59 PolarHBondContact O-N 3.05Å; K57-I61 HydrophobicContact CD-CG2 4.5Å; K57-I61 VanDerWaalsContact CE-CG2 3.41Å; K57-I61 HydrophobicContact CG-CG2 4.3Å; K57-E65 WeakPolarHBondContact CE-OE1 3.34Å; K57-E65 WeakPolarHBondContact CE-OE2 3.36Å; K57-E65 IonicContact NZ-OE1 2.89Å; K57-E65 PolarHBondContact NZ-OE1 2.96Å; K57-E65 IonicContact NZ-OE2 3.19Å; K57-E65 PolarHBondContact NZ-OE2 2.75Å
58	P	78.2	Confident	72	Confident	27 Å²	27	71.3 Å²	71.3	18%	0.175	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-61.3	133.8	178.9	-22	31.8	0	0	0	111.5	F14 Y45 V60 I61 F62	F14-P58 HydrophobicContact CB-CG 4.12Å; F14-P58 HydrophobicContact CD1-CB 3.69Å; F14-P58 HydrophobicContact CD1-CG 3.37Å; F14-P58 HydrophobicContact CD2-CG 4.23Å; F14-P58 HydrophobicContact CE1-CB 3.76Å; F14-P58 HydrophobicContact CE1-CG 3.81Å; F14-P58 HydrophobicContact CG-CB 4.43Å; F14-P58 HydrophobicContact CG-CG 3.63Å; F14-P58 HydrophobicContact CZ-CG 4.46Å; Y45-P58 HydrophobicContact CD2-CG 4.35Å; Y45-P58 VanDerWaalsContact CE2-CD 3.45Å; Y45-P58 HydrophobicContact CE2-CG 4.27Å; P58-V60 PolarHBondContact O-N 3.44Å; P58-V60 VanDerWaalsContact O-N 3.15Å; P58-I61 HydrophobicContact CB-CG1 4.27Å; P58-I61 HydrophobicContact CG-CG1 4.42Å; P58-I61 WeakPolarHBondContact O-CB 3.35Å; P58-I61 PolarHBondContact O-N 3.23Å; P58-F62 PolarHBondContact O-N 2.89Å; P58-F62 VanDerWaalsContact O-N 3.14Å
59	E	73.5	Confident	71.5	Confident	98 Å²	98	75.4 Å²	75.4	46%	0.458	42%	0.423	S	S	.	.	H	α-helix	trans	-54	-36.4	-178	179.5	64.3	-171.6	0	0	112.8	K57 I61 F62 R63	K57-E59 PolarHBondContact O-N 3.05Å; E59-I61 VanDerWaalsContact C-N 3.32Å; E59-I61 PolarHBondContact O-N 3.24Å; E59-F62 WeakPolarHBondContact O-CB 3.41Å; E59-F62 PolarHBondContact O-N 2.8Å; E59-R63 WeakPolarHBondContact O-CG 3.35Å; E59-R63 PolarHBondContact O-N 3.37Å; E59-R63 IonicContact OE1-CZ 3.06Å; E59-R63 IonicContact OE1-NE 3.16Å; E59-R63 PolarHBondContact OE1-NE 3.42Å; E59-R63 IonicContact OE1-NH2 3.14Å; E59-R63 PolarHBondContact OE1-NH2 2.82Å
60	V	74.8	Confident	70.9	Confident	44 Å²	44	72.9 Å²	72.9	27%	0.267	41%	0.408	S	S	.	.	H	α-helix	trans	-61.3	-39.6	176.2	175.9	0	0	0	0	111.8	P58 L64 P70	P58-V60 PolarHBondContact O-N 3.44Å; P58-V60 VanDerWaalsContact O-N 3.15Å; V60-L64 HydrophobicContact CG1-CD1 3.95Å; V60-L64 HydrophobicContact CG1-CG 4.47Å; V60-L64 WeakPolarHBondContact O-CB 3.38Å; V60-L64 WeakPolarHBondContact O-CG 3.39Å; V60-L64 PolarHBondContact O-N 3.33Å; V60-P70 HydrophobicContact CG1-CB 4.23Å
61	I	81.3	Confident	70.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-70.5	-41.1	176.6	-64.8	-55	0	0	0	110.5	F14 M41 L42 Y45 K57 P58 E59 R63 L64 E65	F14-I61 HydrophobicContact CE1-CD1 4.35Å; F14-I61 HydrophobicContact CE1-CG1 3.98Å; F14-I61 HydrophobicContact CE2-CD1 3.87Å; F14-I61 HydrophobicContact CE2-CG1 3.82Å; F14-I61 HydrophobicContact CZ-CD1 3.4Å; F14-I61 HydrophobicContact CZ-CG1 3.38Å; M41-I61 HydrophobicContact CB-CD1 4.17Å; M41-I61 WeakPolarHBondContact O-CD1 3.48Å; L42-I61 HydrophobicContact CD2-CD1 4.36Å; L42-I61 HydrophobicContact CD2-CG2 3.94Å; Y45-I61 HydrophobicContact CD1-CG2 3.65Å; Y45-I61 HydrophobicContact CD2-CG1 4.23Å; Y45-I61 HydrophobicContact CE1-CG2 4.12Å; Y45-I61 HydrophobicContact CG-CB 4.5Å; Y45-I61 HydrophobicContact CG-CG1 4.02Å; Y45-I61 HydrophobicContact CG-CG2 3.88Å; K57-I61 HydrophobicContact CD-CG2 4.5Å; K57-I61 VanDerWaalsContact CE-CG2 3.41Å; K57-I61 HydrophobicContact CG-CG2 4.3Å; P58-I61 HydrophobicContact CB-CG1 4.27Å; P58-I61 HydrophobicContact CG-CG1 4.42Å; P58-I61 WeakPolarHBondContact O-CB 3.35Å; P58-I61 PolarHBondContact O-N 3.23Å; E59-I61 VanDerWaalsContact C-N 3.32Å; E59-I61 PolarHBondContact O-N 3.24Å; I61-R63 VanDerWaalsContact C-N 3.32Å; I61-R63 PolarHBondContact O-N 3.41Å; I61-L64 PolarHBondContact O-N 3.18Å; I61-E65 WeakPolarHBondContact O-CG 3.43Å; I61-E65 PolarHBondContact O-N 3.03Å
62	F	80.9	Confident	68.7	Low	94 Å²	94	75.4 Å²	75.4	41%	0.412	39%	0.39	S	S	.	.	H	α-helix	trans	-59	-42	177.2	-179.2	-106.3	0	0	0	112.3	P58 E59 Q66	P58-F62 PolarHBondContact O-N 2.89Å; P58-F62 VanDerWaalsContact O-N 3.14Å; E59-F62 WeakPolarHBondContact O-CB 3.41Å; E59-F62 PolarHBondContact O-N 2.8Å; F62-Q66 VanDerWaalsContact CE2-NE2 3.32Å; F62-Q66 WeakPolarHBondContact O-CG 3.27Å; F62-Q66 PolarHBondContact O-N 3.43Å
63	R	72.9	Confident	67.2	Low	27 Å²	27	79.6 Å²	79.6	10%	0.102	40%	0.398	C	S	.	.	H	α-helix	trans	-70.4	-43.1	176.7	-70.6	175	-179.4	-117.7	-16.5	113.2	E59 I61 E65 Q66 G67 E68 W71	E59-R63 WeakPolarHBondContact O-CG 3.35Å; E59-R63 PolarHBondContact O-N 3.37Å; E59-R63 IonicContact OE1-CZ 3.06Å; E59-R63 IonicContact OE1-NE 3.16Å; E59-R63 PolarHBondContact OE1-NE 3.42Å; E59-R63 IonicContact OE1-NH2 3.14Å; E59-R63 PolarHBondContact OE1-NH2 2.82Å; I61-R63 VanDerWaalsContact C-N 3.32Å; I61-R63 PolarHBondContact O-N 3.41Å; R63-E65 PolarHBondContact O-N 3.39Å; R63-Q66 PolarHBondContact O-N 2.94Å; R63-G67 PolarHBondContact O-N 3.2Å; R63-G67 VanDerWaalsContact O-N 3.12Å; R63-E68 HydrophobicContact CB-CB 4.2Å; R63-E68 PolarHBondContact O-N 3.32Å; R63-W71 VanDerWaalsContact NH1-C 3.26Å; R63-W71 PolarHBondContact NH1-O 3.09Å
64	L	79.1	Confident	65.2	Low	4 Å²	4	85.1 Å²	85.1	2%	0.021	43%	0.427	C	S	.	.	H	α-helix	trans	-62.1	-32.5	178.4	-76	174.5	0	0	0	112.4	Y37 R38 M41 L42 V60 I61 G67 P70	Y37-L64 HydrophobicContact CD1-CD1 4.42Å; Y37-L64 HydrophobicContact CD1-CD2 4.46Å; Y37-L64 HydrophobicContact CE1-CD1 4.02Å; Y37-L64 HydrophobicContact CE1-CD2 4.43Å; R38-L64 HydrophobicContact CB-CD2 4.19Å; R38-L64 WeakPolarHBondContact CD-O 3.23Å; R38-L64 HydrophobicContact CG-CB 4.3Å; R38-L64 HydrophobicContact CG-CD2 4.25Å; R38-L64 PolarHBondContact NE-O 3.22Å; R38-L64 VanDerWaalsContact NE-O 3.16Å; M41-L64 HydrophobicContact CB-CD1 3.82Å; M41-L64 HydrophobicContact CG-CD1 4.4Å; L42-L64 HydrophobicContact CD2-CB 4.33Å; V60-L64 HydrophobicContact CG1-CD1 3.95Å; V60-L64 HydrophobicContact CG1-CG 4.47Å; V60-L64 WeakPolarHBondContact O-CB 3.38Å; V60-L64 WeakPolarHBondContact O-CG 3.39Å; V60-L64 PolarHBondContact O-N 3.33Å; I61-L64 PolarHBondContact O-N 3.18Å; L64-G67 PolarHBondContact O-N 3.3Å; L64-P70 HydrophobicContact CD2-CG 4.33Å
65	E	79.5	Confident	64	Low	101 Å²	101	86 Å²	86	47%	0.472	42%	0.417	S	S	.	.	H	α-helix	trans	-70.8	-33.1	172.5	-73.4	179.1	176	0	0	113.5	L42 K57 I61 R63 G67	L42-E65 HydrophobicContact CD2-CG 3.53Å; K57-E65 WeakPolarHBondContact CE-OE1 3.34Å; K57-E65 WeakPolarHBondContact CE-OE2 3.36Å; K57-E65 IonicContact NZ-OE1 2.89Å; K57-E65 PolarHBondContact NZ-OE1 2.96Å; K57-E65 IonicContact NZ-OE2 3.19Å; K57-E65 PolarHBondContact NZ-OE2 2.75Å; I61-E65 WeakPolarHBondContact O-CG 3.43Å; I61-E65 PolarHBondContact O-N 3.03Å; R63-E65 PolarHBondContact O-N 3.39Å; E65-G67 PolarHBondContact O-N 2.82Å
66	Q	71.2	Confident	62.5	Low	105 Å²	105	92.9 Å²	92.9	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-80	-5.2	176.3	-68.5	-178.2	23.4	0	0	113.4	F62 R63 E68	F62-Q66 VanDerWaalsContact CE2-NE2 3.32Å; F62-Q66 WeakPolarHBondContact O-CG 3.27Å; F62-Q66 PolarHBondContact O-N 3.43Å; R63-Q66 PolarHBondContact O-N 2.94Å; Q66-E68 VanDerWaalsContact C-N 3.35Å; Q66-E68 HydrophobicContact CB-CG 4.18Å
67	G	65.3	Low	60.8	Low	42 Å²	42	92.2 Å²	92.2	43%	0.433	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	4.3	-178.7	0	0	0	0	0	114.2	R38 R63 L64 E65	R38-G67 PolarHBondContact NH2-O 2.94Å; R63-G67 PolarHBondContact O-N 3.2Å; R63-G67 VanDerWaalsContact O-N 3.12Å; L64-G67 PolarHBondContact O-N 3.3Å; E65-G67 PolarHBondContact O-N 2.82Å
68	E	69	Low	58.6	Low	96 Å²	96	93.9 Å²	93.9	45%	0.449	45%	0.454	S	S	.	.			trans	-84.4	165.1	-175.9	-60.3	-172.5	168	0	0	112.9	R63 Q66	R63-E68 HydrophobicContact CB-CB 4.2Å; R63-E68 PolarHBondContact O-N 3.32Å; Q66-E68 VanDerWaalsContact C-N 3.35Å; Q66-E68 HydrophobicContact CB-CG 4.18Å
69	E	66.3	Low	56.6	Low	97 Å²	97	97.9 Å²	97.9	45%	0.453	48%	0.482	S	S	.	.			trans	-74.9	151.1	175.9	-65.9	-162.9	149.5	0	0	112	R34 W71	R34-E69 IonicContact NH1-OE1 3.25Å; E69-W71 VanDerWaalsContact C-N 3.26Å; E69-W71 HydrophobicContact CB-CZ2 4.38Å; E69-W71 PolarHBondContact O-N 3.49Å; E69-W71 WeakPolarHBondContact OE2-CZ2 3.47Å
70	P	63.3	Low	54.3	Low	16 Å²	16	102 Å²	102	10%	0.104	50%	0.501	C	S	.	.	S	Bend	trans	-67	-10.8	-166.1	-22.1	34	0	0	0	117	W26 Y37 V60 L64	W26-P70 HydrophobicContact CH2-CG 4Å; W26-P70 HydrophobicContact CZ2-CG 4.03Å; W26-P70 HydrophobicContact CZ3-CG 4.26Å; Y37-P70 HydrophobicContact CE1-CG 4.23Å; V60-P70 HydrophobicContact CG1-CB 4.23Å; L64-P70 HydrophobicContact CD2-CG 4.33Å
71	W	61.9	Low	51.9	Low	66 Å²	66	104.7 Å²	104.7	25%	0.25	52%	0.522	C	S	.	.	S	Bend	trans	-124.8	165.5	-173.7	51.9	78.6	0	0	0	112.9	Q23 W26 R63 E69	Q23-W71 HydrophobicContact CG-CZ2 4.11Å; W26-W71 HydrophobicContact CB-CH2 3.38Å; W26-W71 HydrophobicContact CB-CZ3 3.75Å; W26-W71 AromaticContact CD1-CH2 3.24Å; W26-W71 AromaticContact CD2-CH2 3.91Å; W26-W71 HydrophobicContact CD2-CH2 3.91Å; W26-W71 AromaticContact CD2-CZ3 3.98Å; W26-W71 HydrophobicContact CD2-CZ3 3.98Å; W26-W71 HydrophobicContact CE3-CZ3 4.49Å; W26-W71 AromaticContact CG-CH2 3.23Å; W26-W71 HydrophobicContact CG-CH2 3.23Å; W26-W71 HydrophobicContact CG-CZ2 4.35Å; W26-W71 AromaticContact CG-CZ3 3.69Å; W26-W71 HydrophobicContact CG-CZ3 3.69Å; W26-W71 AromaticContact NE1-CH2 3.78Å; R63-W71 VanDerWaalsContact NH1-C 3.26Å; R63-W71 PolarHBondContact NH1-O 3.09Å; E69-W71 VanDerWaalsContact C-N 3.26Å; E69-W71 HydrophobicContact CB-CZ2 4.38Å; E69-W71 PolarHBondContact O-N 3.49Å; E69-W71 WeakPolarHBondContact OE2-CZ2 3.47Å
72	R	37	Very low	49.4	Very low	200 Å²	200	114 Å²	114	76%	0.755	56%	0.563	S	S	*	*			trans	-107.6	138.3	174.7	-152.8	-166.2	-108.8	-158	-3.1	108.8	E74	R72-E74 PolarHBondContact O-N 2.76Å
73	L	35.2	Very low	47.1	Very low	145 Å²	145	114.8 Å²	114.8	76%	0.759	58%	0.577	S	S	*	*			trans	-65.4	122.7	160.5	-92.5	145.8	0	0	0	107.8	E75	L73-E75 PolarHBondContact O-N 3.28Å
74	E	28.8	Very low	44.9	Very low	189 Å²	189	121.7 Å²	121.7	88%	0.883	61%	0.611	S	S	*	*			trans	-73.3	100.9	150.2	-78.9	-177.8	168.4	0	0	105.7	R72 E76	R72-E74 PolarHBondContact O-N 2.76Å; E74-E76 PolarHBondContact O-N 3.49Å
75	E	30.2	Very low	42.5	Very low	152 Å²	152	125.7 Å²	125.7	71%	0.71	64%	0.635	S	S	*	*			trans	-61.9	119	158	-77	-178.9	158.2	0	0	106.9	L73 F77	L73-E75 PolarHBondContact O-N 3.28Å; E75-F77 HydrophobicContact CB-CD2 4.32Å; E75-F77 HydrophobicContact CB-CE2 4.44Å; E75-F77 PolarHBondContact O-N 3.01Å
76	E	30.2	Very low	39.9	Very low	197 Å²	197	131.2 Å²	131.2	92%	0.921	65%	0.652	S	S	*	*			trans	-56.9	105.3	162.2	-73.6	-176.2	158.9	0	0	108.1	E74	E74-E76 PolarHBondContact O-N 3.49Å
77	F	24.9	Very low	37.8	Very low	167 Å²	167	131.4 Å²	131.4	73%	0.732	66%	0.66	S	S	*	*			trans	-102.8	141.6	152.6	-89	-81.6	0	0	0	109.6	E75	E75-F77 HydrophobicContact CB-CD2 4.32Å; E75-F77 HydrophobicContact CB-CE2 4.44Å; E75-F77 PolarHBondContact O-N 3.01Å
78	P	27.5	Very low	35.9	Very low	105 Å²	105	132.8 Å²	132.8	68%	0.682	67%	0.668	S	S	*	*			trans	-71.6	139.5	-169.4	-5.2	21.9	0	0	0	110.8	Q80	P78-Q80 PolarHBondContact O-N 2.97Å
79	S	36	Very low	33.9	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	68%	0.681	S	S	*	*			trans	9.2	104.6	149.1	56.4	0	0	0	0	116.7
80	Q	25.8	Very low	32	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	69%	0.693	S	S	*	*			trans	-156.5	105.9	147.9	-121.9	164.8	-8.1	0	0	112.9	P78	P78-Q80 PolarHBondContact O-N 2.97Å
81	S	24.3	Very low	30.2	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	72%	0.719	S	S	*	*			trans	43.2	112.6	141.5	57.9	0	0	0	0	119.4
82	F	28.9	Very low	28.6	Very low	196 Å²	196	146.3 Å²	146.3	86%	0.86	74%	0.738	S	S	*	*			trans	-50.4	153.3	141.5	-78.8	-85.5	0	0	0	110.6
83	P	31.5	Very low	28	Very low	110 Å²	110	142.8 Å²	142.8	71%	0.714	73%	0.73	S	S	*	*				-135.3	132.5	95.2	9.9	13.2	0	0	0	115.1
84	E	27.9	Very low	27.5	Very low	172 Å²	172	146.3 Å²	146.3	80%	0.804	73%	0.733	S	S	*	*				55	141.3	103.2	-86.2	-159.4	156.6	0	0	119
85	V	27.1	Very low	27.5	Very low	88 Å²	88	141.3 Å²	141.3	53%	0.533	72%	0.719	S	S	.	*			cis	-159.7	155.5	3	-177	0	0	0	0	103.5	T87	V85-T87 HydrophobicContact CG1-CG2 4.43Å
86	W	26.4	Very low	27.2	Very low	217 Å²	217	141.9 Å²	141.9	82%	0.822	72%	0.721	S	S	*	*				-171.8	111.6	83.3	-95.4	67.1	0	0	0	108.9
87	T	26.1	Very low	26.9	Very low	109 Å²	109	140.6 Å²	140.6	67%	0.669	72%	0.715	S	S	*	*				85.7	134.4	108.8	57.8	0	0	0	0	113.1	V85	V85-T87 HydrophobicContact CG1-CG2 4.43Å
88	A	25.7	Very low	26.9	Very low	72 Å²	72	139.8 Å²	139.8	60%	0.595	72%	0.719	S	S	*	*			cis	-170.5	146.9	3.3	0	0	0	0	0	107.5
89	D	26.8	Very low	26.7	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	73%	0.727	S	S	*	*			trans	59.6	137.1	131.8	-59.6	-18.8	0	0	0	120
90	H	25.7	Very low	26.2	Very low	155 Å²	155	142.7 Å²	142.7	72%	0.718	72%	0.722	S	S	*	*			cis	-154.9	126	13.9	-117.4	-75	0	0	0	104.8
91	L	27	Very low	26.3	Very low	125 Å²	125	142.8 Å²	142.8	65%	0.654	72%	0.719	S	S	*	*				47.9	136.9	83.3	-66.2	170.8	0	0	0	112.2
92	K	27.1	Very low	26.3	Very low	145 Å²	145	146.3 Å²	146.3	63%	0.63	72%	0.724	S	S	*	*			cis	173	169.4	22	-118.7	170	169.4	-133	0	104
93	E	25.2	Very low	26	Very low	127 Å²	127	144.4 Å²	144.4	59%	0.593	72%	0.722	S	S	*	*			cis	-166.2	141.8	2.1	-131.1	150.8	-172.1	0	0	102.2
94	R	25.2	Very low	25.5	Very low	219 Å²	219	151.4 Å²	151.4	83%	0.826	74%	0.735	S	S	*	*				51.7	138.6	90.1	-124.9	-167.1	-173.6	165.4	-0	112.2
95	S	27	Very low	25.2	Very low	84 Å²	84	151.1 Å²	151.1	59%	0.587	73%	0.733	S	S	*	*			cis	-176.1	149.2	26.5	0.4	0	0	0	0	104.8
96	Q	24.3	Very low	25.1	Very low	163 Å²	163	152.8 Å²	152.8	76%	0.762	74%	0.744	S	S	*	*				155.8	144.4	99	-110.3	149.5	-38.6	0	0	102.8
97	E	24.5	Very low	24.8	Very low	170 Å²	170	148.3 Å²	148.3	79%	0.794	74%	0.74	S	S	*	*			cis	-166.1	153.7	29.9	-143.8	155.7	-145.7	0	0	108.8
98	N	24.9	Very low	24.8	Very low	150 Å²	150	151.2 Å²	151.2	80%	0.802	74%	0.743	S	S	*	*			trans	-69.1	145.6	175.5	-75	-50.6	0	0	0	112.3
99	Q	23.9	Very low	24.7	Very low	181 Å²	181	155.6 Å²	155.6	85%	0.846	76%	0.755	S	S	*	*				159	106.6	109.1	-81.8	-170.3	2	0	0	112.7
100	S	25.3	Very low	24.6	Very low	97 Å²	97	155.2 Å²	155.2	68%	0.678	75%	0.753	S	S	*	*			trans	-1.4	133.4	142.9	57	0	0	0	0	121.4
101	K	27.3	Very low	24.5	Very low	186 Å²	186	154.2 Å²	154.2	81%	0.809	75%	0.753	S	S	*	*				163.8	134.3	102.2	-88.5	-177.9	-179.5	171.9	0	112.9
102	H	25.1	Very low	24.4	Very low	173 Å²	173	156.5 Å²	156.5	80%	0.801	76%	0.761	S	S	*	*			trans	19.1	132.3	149.3	-67.3	-89.1	0	0	0	122
103	L	22.6	Very low	24.3	Very low	157 Å²	157	157.6 Å²	157.6	82%	0.822	77%	0.77	S	S	*	*				164.9	124.9	118	-94.1	144.9	0	0	0	109.3
104	W	21.4	Very low	24.3	Very low	257 Å²	257	159.8 Å²	159.8	97%	0.973	79%	0.785	S	S	*	*			trans	-105.2	106.8	162.2	-89.5	73	0	0	0	108.1
105	E	20	Very low	24.2	Very low	166 Å²	166	154.6 Å²	154.6	78%	0.776	78%	0.777	S	S	*	*			trans	-91.1	143	162.4	-96.5	-179.6	158.6	0	0	109.9
106	V	24.7	Very low	24.1	Very low	123 Å²	123	160 Å²	160	75%	0.745	79%	0.79	S	S	*	*			trans	-89	126.9	165.4	172.1	0	0	0	0	107.8	F108	V106-F108 HydrophobicContact CG1-CD2 4.23Å; V106-F108 HydrophobicContact CG1-CE2 4.31Å
107	V	20.8	Very low	24.1	Very low	122 Å²	122	161 Å²	161	74%	0.739	80%	0.795	S	S	*	*			trans	-138.8	122.3	156.2	177.1	0	0	0	0	109.5
108	F	25.8	Very low	24	Very low	170 Å²	170	162.2 Å²	162.2	75%	0.746	80%	0.801	S	S	*	*			trans	-71.1	153.8	165.2	-80.4	-98.1	0	0	0	110.7	V106	V106-F108 HydrophobicContact CG1-CD2 4.23Å; V106-F108 HydrophobicContact CG1-CE2 4.31Å
109	I	24.6	Very low	24	Very low	164 Å²	164	158.9 Å²	158.9	84%	0.841	80%	0.801	S	S	*	*			trans	-153.1	140.8	135.5	-91.2	138.6	0	0	0	109.5
110	N	23.6	Very low	24	Very low	126 Å²	126	157.8 Å²	157.8	67%	0.674	80%	0.802	S	S	*	*			trans	-81	-176.6	-172.7	-65.5	-42.2	0	0	0	114.8
111	N	24.2	Very low	23.9	Very low	134 Å²	134	159.4 Å²	159.4	72%	0.717	81%	0.807	S	S	*	*			trans	77.3	139.9	155.5	-70.8	11.1	0	0	0	115.3
112	E	24.6	Very low	23.8	Very low	173 Å²	173	158.3 Å²	158.3	81%	0.808	81%	0.808	S	S	*	*			cis	-164.3	167.1	25.2	-131.9	160.3	-140.9	0	0	110.9
113	M	26	Very low	23.7	Very low	168 Å²	168	153.4 Å²	153.4	83%	0.828	81%	0.805	S	S	*	*			trans	-67.4	145.1	173.5	-71	-161.6	82.4	0	0	112.9
114	L	24	Very low	24	Very low	173 Å²	173	153.3 Å²	153.3	91%	0.906	80%	0.804	S	S	*	*			trans	-142.2	139.3	151.2	-96.9	166	0	0	0	111.6
115	T	22.9	Very low	24.1	Very low	109 Å²	109	146.4 Å²	146.4	67%	0.669	79%	0.792	S	S	*	*			trans	-90.2	150	-174.4	46	0	0	0	0	113.3
116	K	25.1	Very low	24.2	Very low	198 Å²	198	148.7 Å²	148.7	86%	0.861	80%	0.799	S	S	*	*			trans	51.4	130.9	152.8	-78.4	-179.9	171.6	-179.4	0	117.6
117	E	23.8	Very low	24.2	Very low	185 Å²	185	150 Å²	150	86%	0.864	80%	0.802	S	S	*	*				-165.9	169.1	79.7	-88.1	-160.1	161.4	0	0	114
118	Q	24.5	Very low	24.4	Very low	195 Å²	195	153.2 Å²	153.2	91%	0.911	81%	0.812	S	S	*	*			trans	-68.8	154.9	-170.7	-67.4	161.5	-55.9	0	0	115.6
119	G	23.8	Very low	24.2	Very low	79 Å²	79	151.3 Å²	151.3	81%	0.814	81%	0.809	S	S	*	*			trans	173.1	86.7	161	0	0	0	0	0	113.9
120	N	24	Very low	24.3	Very low	159 Å²	159	149.2 Å²	149.2	85%	0.85	80%	0.803	S	S	*	*			trans	-61.8	149.5	170.3	-76.3	-36.6	0	0	0	112.1
121	V	23.7	Very low	24.3	Very low	131 Å²	131	148.8 Å²	148.8	79%	0.794	81%	0.811	S	S	*	*				-165.4	106.4	114.4	171.6	0	0	0	0	110.5
122	I	24.4	Very low	24.3	Very low	162 Å²	162	146.4 Å²	146.4	83%	0.831	80%	0.804	S	S	*	*				44.6	119.6	129.3	-51	171.9	0	0	0	120.2
123	G	23.6	Very low	24.2	Very low	71 Å²	71	146.5 Å²	146.5	73%	0.732	80%	0.802	S	S	*	*			trans	-173.5	76.7	159.6	0	0	0	0	0	114.5
124	I	27.7	Very low	24.3	Very low	155 Å²	155	144.6 Å²	144.6	80%	0.795	80%	0.803	S	S	*	*			trans	61.4	128.5	152.3	-52.1	178.8	0	0	0	119.5
125	P	23.8	Very low	24.2	Very low	111 Å²	111	140.9 Å²	140.9	72%	0.721	79%	0.791	S	S	*	*			trans	-93.7	150.4	-174.4	37.6	-33.2	0	0	0	113.8
126	F	22.7	Very low	24.3	Very low	214 Å²	214	147.7 Å²	147.7	94%	0.939	80%	0.804	S	S	*	*			trans	-124.5	108.4	154.1	-94.9	-86.2	0	0	0	109.1
127	N	23.8	Very low	24.2	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	80%	0.804	S	S	*	*			trans	-94.1	135.8	162	-111.5	-27.7	0	0	0	107.2
128	M	25.6	Very low	24	Very low	189 Å²	189	146.9 Å²	146.9	93%	0.931	80%	0.803	S	S	*	*			trans	-140.7	133.9	145.5	-109.1	-155.1	70.5	0	0	110.5
129	D	22.1	Very low	23.9	Very low	130 Å²	130	146.6 Å²	146.6	70%	0.695	80%	0.799	S	S	*	*			trans	-99.9	165.7	-153.3	-161.9	3	0	0	0	111.6
130	V	25.7	Very low	23.7	Very low	119 Å²	119	148.2 Å²	148.2	72%	0.721	80%	0.797	S	S	*	*			trans	-38.4	134.4	160.3	176.4	0	0	0	0	112
131	S	23.6	Very low	23.6	Very low	118 Å²	118	149.8 Å²	149.8	83%	0.825	80%	0.799	S	S	*	*			trans	-144.2	126.7	148.7	50.4	0	0	0	0	111.6
132	S	24.1	Very low	23.4	Very low	83 Å²	83	152.6 Å²	152.6	58%	0.58	80%	0.796	S	S	*	*			trans	-80.4	173.4	167	-61.9	0	0	0	0	110.8
133	F	23.6	Very low	23.4	Very low	176 Å²	176	152.5 Å²	152.5	77%	0.772	80%	0.798	S	S	*	*			trans	96.9	148.9	154.2	-65.3	-61.4	0	0	0	118.5
134	P	28.1	Very low	23.5	Very low	128 Å²	128	152.9 Å²	152.9	83%	0.831	79%	0.789	S	S	*	*			cis	-133.5	139.9	34.9	34.5	-13.3	0	0	0	120.1
135	S	22.8	Very low	23.5	Very low	95 Å²	95	157.7 Å²	157.7	66%	0.664	80%	0.797	S	S	*	*			trans	-67.8	132.8	150	-49.3	0	0	0	0	109.9
136	R	24.3	Very low	23.5	Very low	251 Å²	251	156 Å²	156	95%	0.947	80%	0.8	S	S	*	*			trans	-98.8	111.7	164.9	-151.6	176.3	-165.9	-156.3	3.2	108.8
137	K	22.3	Very low	23.6	Very low	197 Å²	197	154.6 Å²	154.6	86%	0.857	80%	0.799	S	S	*	*			trans	-67.8	140	167.1	-78.7	174.9	173.4	175.3	0	109.8
138	M	20.6	Very low	23.6	Very low	170 Å²	170	152.1 Å²	152.1	84%	0.837	79%	0.793	S	S	*	*			trans	-144	118.5	136	-98.4	-173.5	75.9	0	0	110.2
139	F	21.2	Very low	23.5	Very low	189 Å²	189	151.8 Å²	151.8	83%	0.829	79%	0.787	S	S	*	*			trans	44.2	114.4	153.8	-68.8	-84.2	0	0	0	121.9
140	C	19.7	Very low	23.5	Very low	113 Å²	113	151.9 Å²	151.9	76%	0.764	79%	0.787	S	S	*	*			trans	-73.6	127.2	152.9	-174.2	0	0	0	0	109
141	Q	22.4	Very low	23.4	Very low	191 Å²	191	152.6 Å²	152.6	89%	0.893	79%	0.792	S	S	*	*			trans	-115.6	117.5	151	-106.9	179.7	-11.7	0	0	106.9
142	Y	20.4	Very low	23.6	Very low	190 Å²	190	153 Å²	153	75%	0.745	79%	0.789	S	S	*	*			trans	-83.1	121.4	171.5	-158.8	-97.2	0	0	0	106.5	S144	Y142-S144 WeakPolarHBondContact CE1-OG 3.39Å
143	D	23.1	Very low	23.7	Very low	161 Å²	161	155.1 Å²	155.1	86%	0.861	80%	0.804	S	S	*	*			trans	-129.8	123.2	156.7	-100.8	-28.2	0	0	0	109
144	S	26.3	Very low	23.8	Very low	79 Å²	79	154.4 Å²	154.4	55%	0.552	80%	0.803	S	S	*	*			trans	-82.5	127.3	-175.5	-34.8	0	0	0	0	109	Y142	Y142-S144 WeakPolarHBondContact CE1-OG 3.39Å
145	R	27.6	Very low	23.8	Very low	255 Å²	255	156.5 Å²	156.5	96%	0.962	81%	0.806	S	S	*	*			trans	-179.9	125.3	147.5	-99.3	154.2	-155.2	-145.7	8.5	112.6
146	G	23.8	Very low	24.1	Very low	75 Å²	75	158.8 Å²	158.8	77%	0.773	82%	0.816	S	S	*	*			trans	91	91.5	134.5	0	0	0	0	0	120
147	M	23.9	Very low	24.4	Very low	186 Å²	186	154.9 Å²	154.9	92%	0.916	81%	0.812	S	S	*	*			trans	42.9	121.6	138.3	-66.1	-157.8	175.3	0	0	123.6
148	S	24.6	Very low	24.5	Very low	100 Å²	100	151 Å²	151	70%	0.699	81%	0.81	S	S	*	*				76.2	128.3	123.1	89.4	0	0	0	0	123.8
149	F	22.8	Very low	24.9	Very low	182 Å²	182	151.7 Å²	151.7	80%	0.798	81%	0.808	S	S	*	*			trans	75.2	124.9	150	-82.5	-73	0	0	0	122.9
150	N	23	Very low	25.2	Very low	132 Å²	132	149.9 Å²	149.9	71%	0.706	81%	0.805	S	S	*	*			trans	75.5	142.8	142.1	-73.3	-24.7	0	0	0	121.4
151	T	23.6	Very low	25.4	Very low	133 Å²	133	151 Å²	151	82%	0.816	80%	0.804	S	S	*	*			trans	70.5	117.6	172.3	54	0	0	0	0	114.7
152	V	26.9	Very low	25.5	Very low	126 Å²	126	152.4 Å²	152.4	76%	0.764	80%	0.803	S	S	*	*				-145.4	104.8	50.5	174.2	0	0	0	0	109.9	E154	V152-E154 HydrophobicContact CG1-CB 4.19Å
153	S	27.1	Very low	25.8	Very low	128 Å²	128	151 Å²	151	90%	0.895	81%	0.807	S	S	*	*			trans	-107.2	67.7	156.5	-153.9	0	0	0	0	106.4
154	E	26.1	Very low	25.8	Very low	161 Å²	161	146.4 Å²	146.4	75%	0.752	80%	0.798	S	S	*	*			trans	-136.6	96.9	175.5	-75.3	-164.2	158.9	0	0	110	V152	V152-E154 HydrophobicContact CG1-CB 4.19Å
155	L	27.5	Very low	25.9	Very low	172 Å²	172	152.6 Å²	152.6	90%	0.901	82%	0.815	S	S	*	*	S	Bend	trans	-171.3	25.9	140	-104	156.4	0	0	0	114.6
156	V	30.1	Very low	25.7	Very low	144 Å²	144	150.3 Å²	150.3	87%	0.873	81%	0.812	S	S	*	*	S	Bend	trans	-141.1	49.4	164	-165	0	0	0	0	110.9
157	I	29.3	Very low	26	Very low	168 Å²	168	151.2 Å²	151.2	86%	0.862	81%	0.806	S	S	*	*			trans	-145.3	93	157.9	-56.2	-177.8	0	0	0	108.3
158	S	24.2	Very low	26.1	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	80%	0.799	S	S	*	*			trans	-155.7	80.9	153.1	68.9	0	0	0	0	111.5
159	K	28.7	Very low	26.3	Very low	186 Å²	186	152.9 Å²	152.9	81%	0.809	81%	0.805	S	S	*	*	S	Bend	trans	-178.8	77.9	142.6	-107.4	172.6	-179.4	169.4	0	109.4
160	I	27.6	Very low	26.3	Very low	150 Å²	150	153.5 Å²	153.5	77%	0.769	81%	0.808	S	S	*	*	S	Bend	trans	-167.1	128.5	146.8	-92.8	144.2	0	0	0	106.2
161	N	24.6	Very low	26.4	Very low	138 Å²	138	154.8 Å²	154.8	74%	0.738	82%	0.815	S	S	*	*			trans	85	101.5	172.2	-56	-24.2	0	0	0	118.1
162	Y	25.1	Very low	26.4	Very low	220 Å²	220	152.7 Å²	152.7	86%	0.863	81%	0.811	S	S	*	*				-177	135.1	113.6	-91	-71.6	0	0	0	105.5
163	L	26.4	Very low	26.2	Very low	161 Å²	161	153 Å²	153	84%	0.843	82%	0.818	S	S	*	*			cis	-142.7	147	24	-84.8	102.9	0	0	0	111.7
164	G	22.9	Very low	26.2	Very low	64 Å²	64	150 Å²	150	66%	0.66	81%	0.807	S	S	*	*			trans	-93.8	157.5	153.2	0	0	0	0	0	111.7
165	K	29	Very low	26.2	Very low	208 Å²	208	151.3 Å²	151.3	90%	0.904	81%	0.81	S	S	*	*			trans	86.2	111.8	165.3	-59.2	-176.2	177.4	-178.2	0	116.9
166	K	23.1	Very low	26	Very low	207 Å²	207	151.7 Å²	151.7	90%	0.9	81%	0.812	S	S	*	*				-145.4	148.4	74.7	-90	-177.8	176	-178.4	0	111.7
167	S	28.8	Very low	25.8	Very low	95 Å²	95	150.3 Å²	150.3	66%	0.664	80%	0.799	S	S	*	*			trans	-71.8	140.8	165.5	53.6	0	0	0	0	109.9
168	D	27	Very low	25.6	Very low	143 Å²	143	149.9 Å²	149.9	77%	0.765	80%	0.798	S	S	*	*				166.1	144.6	120.9	-75	-21.3	0	0	0	108.5
169	E	27.8	Very low	25.5	Very low	177 Å²	177	150.9 Å²	150.9	83%	0.827	79%	0.794	S	S	*	*			trans	76.4	79.5	171.9	-56	-178.3	172	0	0	118.7
170	F	23.8	Very low	25.4	Very low	196 Å²	196	149.6 Å²	149.6	86%	0.86	80%	0.795	S	S	*	*				-171.5	117.4	93.4	-115.3	-88.4	0	0	0	111.6
171	N	24.6	Very low	25.2	Very low	158 Å²	158	151.8 Å²	151.8	85%	0.845	80%	0.798	S	S	*	*			trans	-102.7	142.7	163.9	-170.3	13.6	0	0	0	106.2
172	A	23.3	Very low	25.3	Very low	90 Å²	90	153.3 Å²	153.3	74%	0.744	80%	0.801	S	S	*	*			trans	121.9	105.9	175.3	0	0	0	0	0	109.5
173	C	24.3	Very low	25.1	Very low	132 Å²	132	151 Å²	151	89%	0.892	80%	0.804	S	S	*	*			cis	-148.2	135.5	42.1	-159.8	0	0	0	0	107.9
174	G	25.7	Very low	25.2	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	80%	0.802	S	S	*	*			cis	111.8	93.9	29.3	0	0	0	0	0	108.7
175	K	26.4	Very low	25.2	Very low	188 Å²	188	154.8 Å²	154.8	82%	0.817	81%	0.809	S	S	*	*			trans	-19.7	143.7	167.2	-66.1	165.6	173.9	175.3	0	116.8
176	L	23.5	Very low	25	Very low	180 Å²	180	153.1 Å²	153.1	94%	0.942	80%	0.804	S	S	*	*			trans	-121.9	111.4	138.2	-96.3	165	0	0	0	109.6
177	L	25.6	Very low	25.1	Very low	114 Å²	114	149.2 Å²	149.2	60%	0.597	80%	0.797	S	S	*	*			trans	-71.4	144.4	158.6	-90.7	146.9	0	0	0	109
178	L	24.8	Very low	24.8	Very low	160 Å²	160	155.3 Å²	155.3	84%	0.838	81%	0.806	S	S	*	*			trans	-125.3	100.2	141.7	-85	171.7	0	0	0	108.1
179	N	22.8	Very low	24.8	Very low	135 Å²	135	156.1 Å²	156.1	72%	0.722	81%	0.805	S	S	*	*			trans	-77.8	127.7	149.2	-86.8	-22.7	0	0	0	106.8
180	I	25.6	Very low	24.7	Very low	159 Å²	159	156.4 Å²	156.4	82%	0.815	80%	0.804	S	S	*	*			trans	-119.1	134	149.5	-64.2	-179.3	0	0	0	106.7
181	K	24.6	Very low	24.7	Very low	196 Å²	196	154.3 Å²	154.3	85%	0.852	80%	0.801	S	S	*	*			trans	-64.4	151.6	-160.4	-66.8	171.9	171.6	179.9	0	114.3
182	H	25.4	Very low	24.7	Very low	171 Å²	171	155 Å²	155	79%	0.792	80%	0.8	S	S	*	*			trans	-61.9	142.6	152.5	-87.6	-92.3	0	0	0	110.6
183	D	22.6	Very low	24.8	Very low	172 Å²	172	156 Å²	156	92%	0.92	80%	0.796	S	S	*	*			trans	-132.5	128	142.5	-102.4	-21.7	0	0	0	108.1
184	E	28.5	Very low	24.9	Very low	174 Å²	174	156.6 Å²	156.6	81%	0.813	79%	0.79	S	S	*	*			trans	-92.6	132.7	169.1	-71.8	178.8	141.8	0	0	108.8
185	T	22.8	Very low	24.9	Very low	130 Å²	130	161.3 Å²	161.3	80%	0.798	79%	0.791	S	S	*	*			trans	-162.1	121.5	140.1	42.6	0	0	0	0	111.9
186	H	24.1	Very low	24.9	Very low	173 Å²	173	159.3 Å²	159.3	80%	0.801	79%	0.79	S	S	*	*			trans	50.8	118.4	138	-75.5	-74.4	0	0	0	123.7
187	T	24.3	Very low	25	Very low	124 Å²	124	161 Å²	161	76%	0.761	78%	0.784	S	S	*	*				15.3	122.4	129.7	48.8	0	0	0	0	119.4
188	R	23	Very low	25	Very low	223 Å²	223	160.8 Å²	160.8	84%	0.842	78%	0.783	S	S	*	*				162.2	129.1	111.2	-170.6	165.7	79.5	179.4	6.2	112.7
189	E	27	Very low	25.1	Very low	160 Å²	160	158.5 Å²	158.5	75%	0.748	78%	0.776	S	S	*	*			trans	14.2	131.4	154.7	-55.5	173.4	143.5	0	0	122.3
190	K	26	Very low	25.1	Very low	184 Å²	184	159.5 Å²	159.5	80%	0.8	78%	0.78	S	S	*	*				149	107.9	121.8	-82.9	-179.1	-178.2	179.5	0	108.5
191	N	23.1	Very low	25	Very low	152 Å²	152	156.5 Å²	156.5	81%	0.813	77%	0.774	S	S	*	*				76.3	131.7	86.7	-94.1	-9.5	0	0	0	114.4
192	E	25.9	Very low	25.2	Very low	173 Å²	173	156.1 Å²	156.1	81%	0.808	77%	0.774	S	S	*	*			trans	86	104.9	160.1	-57.7	-142.2	148.6	0	0	117.7
193	V	25.2	Very low	25	Very low	110 Å²	110	158.2 Å²	158.2	67%	0.667	78%	0.775	S	S	*	*				98.8	109.2	65.4	162.7	0	0	0	0	110
194	L	25.9	Very low	25.4	Very low	145 Å²	145	158.4 Å²	158.4	76%	0.759	77%	0.771	S	S	*	*				-179.4	95.9	123.1	-137.3	61.1	0	0	0	107.6
195	K	26.5	Very low	25.1	Very low	164 Å²	164	155.6 Å²	155.6	71%	0.713	76%	0.761	S	S	*	*				67.8	104.2	96.1	-81.6	-175.5	-178.9	174.3	0	114.4
196	N	26.7	Very low	25.4	Very low	146 Å²	146	156 Å²	156	78%	0.781	76%	0.764	S	S	*	*				169.9	98	106.1	-82.1	-18.4	0	0	0	107.1
197	R	24.8	Very low	25.4	Very low	217 Å²	217	156 Å²	156	82%	0.819	77%	0.768	S	S	*	*				32.8	126.8	77.5	-85.5	-156.9	135.7	158.7	-1.2	112
198	N	26.6	Very low	25.4	Very low	109 Å²	109	157.9 Å²	157.9	58%	0.583	77%	0.769	S	S	*	*			cis	-168.5	134.7	20.3	-102.1	-17.7	0	0	0	107
199	T	25.1	Very low	25.5	Very low	112 Å²	112	154.3 Å²	154.3	69%	0.687	76%	0.761	S	S	*	*				35.4	125.7	106.1	51.1	0	0	0	0	117.6
200	L	23.3	Very low	25.4	Very low	155 Å²	155	155.8 Å²	155.8	81%	0.812	77%	0.768	S	S	*	*				-173.4	114.5	118.3	-120.4	82.8	0	0	0	107.3
201	S	22.8	Very low	25.4	Very low	97 Å²	97	156 Å²	156	68%	0.678	77%	0.769	S	S	*	*				88.2	136.5	83.6	77.4	0	0	0	0	114.3
202	H	28.8	Very low	25.6	Very low	187 Å²	187	155.9 Å²	155.9	87%	0.866	77%	0.767	S	S	*	*			trans	-28.4	140	165.6	-101.7	-62.3	0	0	0	115.7
203	R	21.9	Very low	25.7	Very low	215 Å²	215	156.7 Å²	156.7	81%	0.811	77%	0.771	S	S	*	*			trans	-134.1	110.6	152	-144.9	178	-172.3	-173.1	2.2	109.2
204	E	30.2	Very low	25.7	Very low	177 Å²	177	157.2 Å²	157.2	83%	0.827	77%	0.774	S	S	*	*			trans	-61.8	137.1	151	-73.1	174.3	140.6	0	0	107.9
205	N	24.1	Very low	25.7	Very low	115 Å²	115	157.8 Å²	157.8	62%	0.615	78%	0.777	S	S	*	*			trans	-157.7	115.9	155.2	-94.1	-23.9	0	0	0	109.5
206	T	27.2	Very low	25.5	Very low	139 Å²	139	157.1 Å²	157.1	85%	0.853	78%	0.781	S	S	*	*			trans	-45.8	132.1	147.8	22.5	0	0	0	0	111.6
207	L	24.9	Very low	25.4	Very low	171 Å²	171	157 Å²	157	90%	0.895	78%	0.776	S	S	*	*			trans	-145.7	127.5	157.5	-104.6	162.2	0	0	0	109.5
208	Q	25.3	Very low	25.3	Very low	164 Å²	164	153.7 Å²	153.7	77%	0.766	77%	0.774	S	S	*	*			trans	-77.3	154	169.7	-85.2	-152.7	-20.2	0	0	111.7
209	H	25.2	Very low	25.2	Very low	149 Å²	149	157.2 Å²	157.2	69%	0.69	79%	0.785	S	S	*	*			trans	60.1	112	154.6	-86.1	-69.1	0	0	0	119.6
210	E	23.4	Very low	25.2	Very low	190 Å²	190	160.7 Å²	160.7	89%	0.888	79%	0.793	S	S	*	*				-152.4	130.6	118.6	-112.5	172.4	-173.5	0	0	111	I212	E210-I212 PolarHBondContact O-N 3.2Å
211	K	25.9	Very low	25.2	Very low	190 Å²	190	161.8 Å²	161.8	83%	0.826	79%	0.788	S	S	*	*			trans	-69.4	121.6	175.9	-80.4	171.7	171.8	174.8	0	108.4
212	I	28.4	Very low	25.3	Very low	148 Å²	148	161.5 Å²	161.5	76%	0.759	79%	0.786	S	S	*	*			trans	-114.9	114.4	155.7	-63.4	178.4	0	0	0	107.2	E210 T214	E210-I212 PolarHBondContact O-N 3.2Å; I212-T214 HydrophobicContact CG2-CG2 4.13Å
213	Q	27.6	Very low	25.1	Very low	191 Å²	191	159.9 Å²	159.9	89%	0.893	78%	0.782	S	S	*	*			trans	-79.7	109.2	176.3	-168.1	175.7	18.3	0	0	107.5
214	T	26.1	Very low	25.3	Very low	120 Å²	120	154 Å²	154	74%	0.736	77%	0.773	S	S	*	*			trans	-135	99.6	168.1	47.9	0	0	0	0	110	I212	I212-T214 HydrophobicContact CG2-CG2 4.13Å
215	L	24.2	Very low	25.2	Very low	158 Å²	158	154.6 Å²	154.6	83%	0.827	78%	0.776	S	S	*	*			trans	27.2	110.2	146.9	-127	77	0	0	0	117.9	H217	L215-H217 PolarHBondContact O-N 3.37Å
216	D	23.1	Very low	25.3	Very low	149 Å²	149	156.3 Å²	156.3	80%	0.797	78%	0.78	S	S	*	*			trans	-52.6	121.6	158	-91	-38.5	0	0	0	110.6
217	H	25	Very low	25.2	Very low	144 Å²	144	156.2 Å²	156.2	67%	0.667	78%	0.78	S	S	*	*			trans	-130.5	100	157	-119	51.6	0	0	0	109	L215 F219	L215-H217 PolarHBondContact O-N 3.37Å; H217-F219 HydrophobicContact CB-CD2 4.45Å; H217-F219 HydrophobicContact CB-CE2 4.31Å; H217-F219 PolarHBondContact O-N 2.93Å; H217-F219 VanDerWaalsContact O-N 3.15Å
218	N	22.9	Very low	25.3	Very low	147 Å²	147	154.5 Å²	154.5	79%	0.786	77%	0.771	S	S	*	*			trans	-58.4	108.3	166.4	-71.6	-44.9	0	0	0	109
219	F	24.8	Very low	25.3	Very low	184 Å²	184	154 Å²	154	81%	0.807	77%	0.772	S	S	*	*			trans	-95	100	168.5	-92.5	-83.1	0	0	0	109.8	H217 Y221	H217-F219 HydrophobicContact CB-CD2 4.45Å; H217-F219 HydrophobicContact CB-CE2 4.31Å; H217-F219 PolarHBondContact O-N 2.93Å; H217-F219 VanDerWaalsContact O-N 3.15Å; F219-Y221 PolarHBondContact O-N 3.3Å
220	E	24.1	Very low	25.3	Very low	184 Å²	184	155.8 Å²	155.8	86%	0.86	78%	0.781	S	S	*	*			trans	-65	122.5	167.1	-75.3	-174.3	149.7	0	0	110.7	S222	E220-S222 PolarHBondContact O-N 3.1Å; E220-S222 VanDerWaalsContact O-N 3.1Å
221	Y	22.7	Very low	25.4	Very low	178 Å²	178	156.2 Å²	156.2	70%	0.698	78%	0.78	S	S	*	*			trans	-77.7	91.8	177.7	-164.2	-96.1	0	0	0	110.3	F219 I223	F219-Y221 PolarHBondContact O-N 3.3Å; Y221-I223 HydrophobicContact CD1-CG1 4.17Å; Y221-I223 HydrophobicContact CE1-CG1 4Å
222	S	25.4	Very low	25.3	Very low	91 Å²	91	151.3 Å²	151.3	64%	0.636	78%	0.775	S	S	*	*			trans	-85.7	120.8	168.3	95.8	0	0	0	0	110.5	E220 C224	E220-S222 PolarHBondContact O-N 3.1Å; E220-S222 VanDerWaalsContact O-N 3.1Å; S222-C224 PolarHBondContact O-N 3.32Å
223	I	25.1	Very low	25.1	Very low	154 Å²	154	150.5 Å²	150.5	79%	0.79	78%	0.777	S	S	*	*			trans	-73	94.7	172.2	-63	170.9	0	0	0	107.5	Y221	Y221-I223 HydrophobicContact CD1-CG1 4.17Å; Y221-I223 HydrophobicContact CE1-CG1 4Å
224	C	26.2	Very low	24.9	Very low	91 Å²	91	150.8 Å²	150.8	62%	0.615	78%	0.775	S	S	*	*			trans	-104.6	128.5	168.2	-79.7	0	0	0	0	110.9	S222 E226	S222-C224 PolarHBondContact O-N 3.32Å; C224-E226 PolarHBondContact O-N 3.24Å
225	Q	28.4	Very low	24.7	Very low	189 Å²	189	152.6 Å²	152.6	88%	0.883	78%	0.78	S	S	*	*			trans	-56.3	118.4	172.1	-81.5	167.3	-52.3	0	0	110.8	T227	Q225-T227 PolarHBondContact O-N 3.47Å; Q225-T227 VanDerWaalsContact O-N 3.09Å
226	E	25.7	Very low	24.8	Very low	152 Å²	152	151.1 Å²	151.1	71%	0.71	78%	0.778	S	S	*	*			trans	-71.6	98.7	170.4	-76.2	177.2	166.6	0	0	110.9	C224	C224-E226 PolarHBondContact O-N 3.24Å
227	T	25.1	Very low	24.8	Very low	137 Å²	137	155.9 Å²	155.9	84%	0.84	79%	0.785	S	S	*	*			trans	-98.1	90.5	147.9	45.6	0	0	0	0	108	Q225	Q225-T227 PolarHBondContact O-N 3.47Å; Q225-T227 VanDerWaalsContact O-N 3.09Å
228	L	26.5	Very low	24.7	Very low	135 Å²	135	158.5 Å²	158.5	71%	0.707	79%	0.794	S	S	*	*			trans	-104.4	117.5	163.9	-77.9	172.6	0	0	0	109.4
229	L	25.5	Very low	24.8	Very low	153 Å²	153	162.8 Å²	162.8	80%	0.801	80%	0.799	S	S	*	*			trans	-86.3	115	170.3	-172	88.1	0	0	0	106.6
230	E	25.6	Very low	24.7	Very low	187 Å²	187	161.4 Å²	161.4	87%	0.874	80%	0.795	S	S	*	*			trans	-106.8	120.7	169	-82.2	-179	163	0	0	110.1
231	K	24.5	Very low	24.7	Very low	198 Å²	198	160 Å²	160	86%	0.861	79%	0.794	S	S	*	*			trans	-90.8	113.5	158.1	-81	176.3	171.2	177.9	0	107
232	A	23.8	Very low	24.7	Very low	88 Å²	88	155.9 Å²	155.9	73%	0.727	80%	0.797	S	S	*	*			trans	-165.8	107.4	152	0	0	0	0	0	112
233	V	24.6	Very low	24.7	Very low	131 Å²	131	160.4 Å²	160.4	79%	0.794	81%	0.808	S	S	*	*			trans	43.4	99.8	135.3	-166.2	0	0	0	0	118.7
234	F	22.9	Very low	24.7	Very low	197 Å²	197	162.5 Å²	162.5	86%	0.864	81%	0.814	S	S	*	*			trans	-86.8	119.6	155.8	-96.1	-88.9	0	0	0	109.9
235	N	22.4	Very low	24.6	Very low	158 Å²	158	165.2 Å²	165.2	85%	0.845	82%	0.823	S	S	*	*			trans	-85.1	106.7	162.9	-106.6	-41.3	0	0	0	108.4
236	T	25.5	Very low	24.4	Very low	126 Å²	126	163.7 Å²	163.7	77%	0.773	82%	0.821	S	S	*	*			trans	-97.6	112.8	167.4	47.1	0	0	0	0	109.8
237	R	24.3	Very low	24.2	Very low	250 Å²	250	161 Å²	161	94%	0.943	82%	0.818	S	S	*	*			trans	-82.5	115.1	168.3	-145	176.6	-166.8	-178.2	3.4	108.2
238	K	23	Very low	24.1	Very low	199 Å²	199	162.3 Å²	162.3	87%	0.865	82%	0.819	S	S	*	*			trans	-65.2	142.9	167	-84.2	179.7	171.2	-177.9	0	110.2
239	R	23.8	Very low	23.9	Very low	237 Å²	237	166 Å²	166	89%	0.894	83%	0.825	S	S	*	*			trans	-145.6	138.7	142	-153.5	174.2	-153	175.3	5.4	110.2
240	E	23.6	Very low	23.9	Very low	154 Å²	154	166.1 Å²	166.1	72%	0.72	83%	0.827	S	S	*	*			trans	-71.8	157.1	-170.3	-62.9	129	159	0	0	113.5
241	N	23.5	Very low	23.8	Very low	156 Å²	156	164.5 Å²	164.5	83%	0.834	82%	0.819	S	S	*	*				179.9	134.1	110.4	-84	-18.6	0	0	0	113.1
242	A	24	Very low	23.9	Very low	91 Å²	91	164.5 Å²	164.5	75%	0.752	82%	0.82	S	S	*	*			trans	34	114.8	147.9	0	0	0	0	0	119.4
243	E	24.1	Very low	24	Very low	186 Å²	186	163.7 Å²	163.7	87%	0.869	82%	0.819	S	S	*	*				57.5	100.5	77.1	-72.8	-171.5	178.9	0	0	113.9
244	E	25.1	Very low	24	Very low	198 Å²	198	169.6 Å²	169.6	93%	0.925	83%	0.827	S	S	*	*			trans	-155.3	132.8	133.6	-124.3	174.5	-168.4	0	0	110.7
245	N	23.7	Very low	24	Very low	148 Å²	148	165.8 Å²	165.8	79%	0.791	82%	0.821	S	S	*	*			trans	-83.1	145	-175.2	-66.7	-61.8	0	0	0	111.3
246	N	24.4	Very low	24	Very low	157 Å²	157	168.4 Å²	168.4	84%	0.84	83%	0.825	S	S	*	*				-171.2	145.2	114.3	-104.7	-36.1	0	0	0	113.2
247	C	21.9	Very low	23.8	Very low	96 Å²	96	167.2 Å²	167.2	65%	0.649	82%	0.82	S	S	*	*			trans	-72.3	152.2	-174.8	44.7	0	0	0	0	114.8
248	D	23.4	Very low	23.8	Very low	164 Å²	164	162 Å²	162	88%	0.877	81%	0.812	S	S	*	*				-164.7	135.1	118.7	-96.6	-18.9	0	0	0	112.2
249	Y	21.6	Very low	23.8	Very low	211 Å²	211	157.8 Å²	157.8	83%	0.827	81%	0.807	S	S	*	*			trans	-87.7	145.4	180	-113.3	-102	0	0	0	110.5
250	N	26.1	Very low	23.8	Very low	156 Å²	156	152.2 Å²	152.2	83%	0.834	80%	0.804	S	S	*	*				-175.5	102.7	128.2	-89.8	-15.7	0	0	0	112.3
251	E	23.8	Very low	23.8	Very low	154 Å²	154	150.7 Å²	150.7	72%	0.72	81%	0.811	S	S	*	*			trans	35.8	108.5	131.3	-129.1	172.4	-167.9	0	0	121.5
252	F	25.4	Very low	23.9	Very low	198 Å²	198	151.4 Å²	151.4	87%	0.868	81%	0.814	S	S	*	*				167.9	134.2	108.8	-104.2	-89.3	0	0	0	111.3
253	G	26.2	Very low	23.9	Very low	70 Å²	70	155.3 Å²	155.3	72%	0.722	82%	0.821	S	S	*	*			trans	118	67.3	162.7	0	0	0	0	0	116.8	T255	G253-T255 PolarHBondContact O-N 3.12Å; G253-T255 VanDerWaalsContact O-N 3.12Å
254	R	24.6	Very low	23.9	Very low	255 Å²	255	156 Å²	156	96%	0.962	82%	0.821	S	S	*	*			trans	-57.8	106	176.7	-81.2	-176.3	-97.6	-132.4	-6.1	113.5
255	T	24.5	Very low	23.8	Very low	118 Å²	118	155.5 Å²	155.5	72%	0.724	82%	0.819	S	S	*	*			trans	-93	141.4	131	46.2	0	0	0	0	106.9	G253	G253-T255 PolarHBondContact O-N 3.12Å; G253-T255 VanDerWaalsContact O-N 3.12Å
256	F	21.4	Very low	23.8	Very low	212 Å²	212	157.4 Å²	157.4	93%	0.93	82%	0.823	S	S	*	*			trans	-162.5	137.8	143.7	-105.6	-70.7	0	0	0	112.2
257	C	22.2	Very low	23.8	Very low	101 Å²	101	157.9 Å²	157.9	68%	0.682	82%	0.824	S	S	*	*			trans	-77.8	157.2	165.9	-100.5	0	0	0	0	111.4
258	D	23.3	Very low	24.1	Very low	142 Å²	142	158.8 Å²	158.8	76%	0.759	83%	0.828	S	S	*	*			trans	78	131.7	136.7	-74.5	-5.1	0	0	0	122.6
259	S	22.6	Very low	24.1	Very low	109 Å²	109	157.1 Å²	157.1	76%	0.762	83%	0.827	S	S	*	*			trans	64.8	110.5	139.1	-53.8	0	0	0	0	118.1
260	S	24.3	Very low	24.3	Very low	120 Å²	120	152.4 Å²	152.4	84%	0.839	82%	0.824	S	S	*	*			trans	-126.7	108.4	157.3	-66.4	0	0	0	0	109.7
261	S	23.8	Very low	24.2	Very low	123 Å²	123	153.6 Å²	153.6	86%	0.86	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-83	127.3	149.5	-60.8	0	0	0	0	107
262	L	25	Very low	24.3	Very low	170 Å²	170	152.8 Å²	152.8	89%	0.89	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-103	136	164.6	-78.4	173.7	0	0	0	109.9
263	L	25.6	Very low	24.2	Very low	174 Å²	174	148.5 Å²	148.5	91%	0.911	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.6	144.3	-179.5	-80.5	155	0	0	0	112.3
264	F	22.2	Very low	24	Very low	199 Å²	199	153.7 Å²	153.7	87%	0.873	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-69.5	143.3	162.7	-98.5	-97.5	0	0	0	111.5
265	H	24.4	Very low	24	Very low	188 Å²	188	152.6 Å²	152.6	87%	0.87	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-88.6	141.8	153	-97.2	-74.5	0	0	0	110.1
266	Q	23.7	Very low	23.8	Very low	188 Å²	188	154.4 Å²	154.4	88%	0.879	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-85	143.3	-173.7	-63.9	170.8	-5.2	0	0	113.2
267	I	24.4	Very low	23.9	Very low	167 Å²	167	152.9 Å²	152.9	86%	0.856	81%	0.814	S	S	*	*			trans	-143.1	137.2	148.1	-60.9	-174	0	0	0	107
268	P	27.2	Very low	23.9	Very low	115 Å²	115	152.7 Å²	152.7	75%	0.747	81%	0.813	S	S	*	*			trans	-83.3	169.7	-158.8	32.9	-36	0	0	0	115.7
269	P	24.8	Very low	23.8	Very low	130 Å²	130	153.3 Å²	153.3	84%	0.844	82%	0.816	S	S	*	*			trans	-91.9	145.9	-171	35.8	-31	0	0	0	112.9
270	S	24.3	Very low	23.8	Very low	111 Å²	111	153.6 Å²	153.6	78%	0.776	82%	0.817	S	S	*	*			trans	-137.2	111.5	162.6	64.2	0	0	0	0	111.6
271	K	25.7	Very low	23.8	Very low	182 Å²	182	155 Å²	155	79%	0.791	81%	0.811	S	S	*	*			trans	57.1	121.5	136.5	-71.3	-172.2	177.7	-174.4	0	121.2
272	D	24.4	Very low	23.9	Very low	137 Å²	137	157.4 Å²	157.4	73%	0.733	81%	0.805	S	S	*	*				88.6	133.5	126.1	-63.8	-19.8	0	0	0	121.8
273	S	24.4	Very low	23.7	Very low	107 Å²	107	158.6 Å²	158.6	75%	0.748	80%	0.804	S	S	*	*			trans	91.6	97.4	148.3	68	0	0	0	0	119.3
274	H	22.1	Very low	23.6	Very low	180 Å²	180	158.7 Å²	158.7	83%	0.833	80%	0.804	S	S	*	*				17.9	123	122.6	-65.5	-82.2	0	0	0	118.1
275	Y	23.1	Very low	23.5	Very low	231 Å²	231	154.2 Å²	154.2	91%	0.906	80%	0.797	S	S	*	*				-171.6	136.4	112.1	-126.1	-102.4	0	0	0	111.4
276	E	21.9	Very low	23.4	Very low	156 Å²	156	151.6 Å²	151.6	73%	0.729	79%	0.793	S	S	*	*			trans	-89	163.9	170.7	-69.7	-175.1	140.7	0	0	112
277	F	22.9	Very low	23.3	Very low	181 Å²	181	151.7 Å²	151.7	79%	0.794	79%	0.791	S	S	*	*			trans	93	127.8	150.4	-86.3	-78	0	0	0	122
278	S	21.5	Very low	23.3	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	78%	0.784	S	S	*	*				85.5	106.7	126.8	-176.8	0	0	0	0	120.6
279	D	21.8	Very low	23.1	Very low	154 Å²	154	149.5 Å²	149.5	82%	0.824	79%	0.788	S	S	*	*			trans	27.9	141.9	131.2	-67.9	-28.1	0	0	0	123.8
280	C	23	Very low	23.1	Very low	116 Å²	116	150.9 Å²	150.9	78%	0.784	79%	0.787	S	S	*	*			trans	102.9	110.7	149.4	-78.8	0	0	0	0	121.1
281	E	23.5	Very low	23.1	Very low	149 Å²	149	151.2 Å²	151.2	70%	0.696	79%	0.79	S	S	*	*				50.7	110	127.3	-79.3	-164.7	171.9	0	0	121.4
282	K	25.5	Very low	23.1	Very low	173 Å²	173	150.4 Å²	150.4	75%	0.752	79%	0.786	S	S	*	*				157.5	143.4	99.1	-98.8	156.2	-175	155	0	113.9
283	F	21.9	Very low	23.2	Very low	195 Å²	195	153 Å²	153	86%	0.855	79%	0.794	S	S	*	*			trans	-24	142.2	170.5	-71.1	-95.3	0	0	0	120.1
284	L	22.5	Very low	23.4	Very low	176 Å²	176	155.1 Å²	155.1	92%	0.921	80%	0.797	S	S	*	*			trans	-144.7	130.3	134.7	-95.2	169	0	0	0	110.7
285	C	20	Very low	23.6	Very low	105 Å²	105	149.9 Å²	149.9	71%	0.709	79%	0.791	S	S	*	*			trans	-91.9	134.2	176.9	175	0	0	0	0	109.3
286	V	23	Very low	23.7	Very low	133 Å²	133	146.2 Å²	146.2	81%	0.806	79%	0.792	S	S	*	*			trans	-134.3	116.8	161.8	-179.3	0	0	0	0	108.8
287	K	21.4	Very low	24.4	Very low	190 Å²	190	144.2 Å²	144.2	83%	0.826	79%	0.793	S	S	*	*			trans	-82	144.5	167.2	-79.5	177.3	173.7	175.6	0	109.7
288	S	23.6	Very low	24.5	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	80%	0.798	S	S	*	*			trans	-160.3	97.2	153	-65.1	0	0	0	0	107.8
289	T	24.2	Very low	24.7	Very low	135 Å²	135	147.2 Å²	147.2	83%	0.828	81%	0.805	S	S	*	*				75.5	96.1	103.4	48.7	0	0	0	0	116.5
290	L	24.8	Very low	25	Very low	159 Å²	159	147.6 Å²	147.6	83%	0.832	80%	0.802	S	S	*	*				33.8	124.3	125.3	-138.1	83.4	0	0	0	120.2
291	S	23.6	Very low	25	Very low	118 Å²	118	153.5 Å²	153.5	83%	0.825	81%	0.809	S	S	*	*				-157	136.1	126.4	-162	0	0	0	0	111.3
292	K	26.6	Very low	25.2	Very low	164 Å²	164	153.8 Å²	153.8	71%	0.713	82%	0.816	S	S	*	*			trans	-100.1	152.8	178.9	-70.2	177.7	173.6	-178.9	0	109.3
293	H	26.7	Very low	25	Very low	192 Å²	192	151.6 Å²	151.6	89%	0.889	82%	0.821	S	S	*	*			trans	-149	143.8	140.9	-101.2	-73.3	0	0	0	110.9
294	D	28.2	Very low	25.5	Very low	152 Å²	152	145.8 Å²	145.8	81%	0.813	82%	0.816	S	S	*	*			trans	-82.7	157.2	-165.2	-65.2	-65.1	0	0	0	116
295	G	25.3	Very low	25.7	Very low	69 Å²	69	146.6 Å²	146.6	71%	0.711	82%	0.815	S	S	*	*				111.6	113.6	118	0	0	0	0	0	121.4
296	V	27	Very low	26.1	Very low	154 Å²	154	147.8 Å²	147.8	93%	0.933	82%	0.824	S	S	*	*			trans	100.2	139.5	140.5	-174.8	0	0	0	0	118.5
297	P	34.9	Very low	26.2	Very low	114 Å²	114	144 Å²	144	74%	0.74	81%	0.813	S	S	*	*			trans	-112.6	159.1	-145.4	40.9	-29.9	0	0	0	115.3
298	V	26	Very low	26.5	Very low	149 Å²	149	142.3 Å²	142.3	90%	0.903	81%	0.813	S	S	*	*			trans	-134.4	136.9	168.7	-179.9	0	0	0	0	111
299	K	25	Very low	26.7	Very low	193 Å²	193	144.5 Å²	144.5	84%	0.839	82%	0.816	S	S	*	*			trans	-78.4	146.8	-175.6	-71.8	177.2	175.1	177	0	113.4
300	H	27.5	Very low	27	Very low	162 Å²	162	147.6 Å²	147.6	75%	0.75	82%	0.819	S	S	*	*			trans	2.8	126.2	156.6	-77.5	-88.7	0	0	0	120.6
301	Y	23.4	Very low	27.3	Very low	240 Å²	240	151.6 Å²	151.6	94%	0.941	82%	0.823	S	S	*	*			trans	-142.5	133.1	130.6	-87	-80.8	0	0	0	109.7
302	D	29.1	Very low	27.5	Very low	154 Å²	154	155.9 Å²	155.9	82%	0.824	82%	0.821	S	S	*	*			trans	-78.1	131	171.7	-83.3	-48.5	0	0	0	110.8
303	C	21.4	Very low	28	Very low	127 Å²	127	157.5 Å²	157.5	86%	0.858	83%	0.828	S	S	*	*			trans	-169.2	120.5	135.3	-157.5	0	0	0	0	112.3
304	G	31.9	Very low	28.2	Very low	73 Å²	73	155.7 Å²	155.7	75%	0.753	82%	0.824	S	S	*	*			trans	51.4	96.6	136.7	0	0	0	0	0	120.2
305	E	25.9	Very low	28.4	Very low	193 Å²	193	154.2 Å²	154.2	90%	0.902	82%	0.824	S	S	*	*			trans	-115.9	102.9	159.5	-77.3	-171.1	159	0	0	112
306	S	27.9	Very low	28.7	Very low	130 Å²	130	158.2 Å²	158.2	91%	0.909	83%	0.828	S	S	*	*			trans	-62.9	128.2	140.4	178	0	0	0	0	108.4
307	G	26.7	Very low	28.9	Very low	55 Å²	55	155.5 Å²	155.5	57%	0.567	82%	0.817	S	S	*	*			trans	142.2	113.1	167.5	0	0	0	0	0	115.7
308	N	27.1	Very low	28.9	Very low	153 Å²	153	159 Å²	159	82%	0.818	82%	0.823	S	S	*	*			trans	68.8	65.6	146.5	-57.9	-27.4	0	0	0	119.6	F310	N308-F310 PolarHBondContact O-N 3.37Å
309	N	28.5	Very low	29.1	Very low	149 Å²	149	159.1 Å²	159.1	80%	0.797	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	44.2	159.6	-86.9	-49.8	0	0	0	113.8
310	F	29.6	Very low	29.4	Very low	199 Å²	199	157.8 Å²	157.8	87%	0.873	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-7.5	173.2	-122.4	-89.1	0	0	0	114.1	N308	N308-F310 PolarHBondContact O-N 3.37Å
311	R	30.2	Very low	29.9	Very low	244 Å²	244	160.9 Å²	160.9	92%	0.921	83%	0.826	S	S	*	*	S	Bend	trans	-108.3	10	178.8	-109	-171	-175	-150.1	3.4	115.7
312	R	28.9	Very low	30.1	Very low	208 Å²	208	151.5 Å²	151.5	79%	0.785	80%	0.802	S	S	*	*	S	Bend	trans	-101.7	11.9	177.5	-144.9	173.8	-170.9	162.7	2.7	114.5
313	K	36.3	Very low	30.9	Very low	198 Å²	198	152.2 Å²	152.2	86%	0.861	81%	0.806	S	S	*	*	S	Bend	trans	-112.9	8.6	179.4	-112.7	-177.2	-177.9	-178.7	0	115.4
314	L	31.9	Very low	31.8	Very low	153 Å²	153	155.9 Å²	155.9	80%	0.801	81%	0.808	S	S	*	*	S	Bend	trans	-118.8	10.8	174.5	-119.2	98.4	0	0	0	115.4
315	C	31.9	Very low	32.2	Very low	122 Å²	122	155.2 Å²	155.2	82%	0.824	80%	0.8	S	S	*	*	S	Bend	trans	-134.1	51.7	169	-79.8	0	0	0	0	111.8
316	L	30.9	Very low	33.3	Very low	152 Å²	152	153.2 Å²	153.2	80%	0.796	79%	0.791	S	S	*	*	S	Bend	trans	-134.1	23.3	164	-94	167.7	0	0	0	111.8
317	S	31.3	Very low	34.4	Very low	98 Å²	98	154.1 Å²	154.1	69%	0.685	78%	0.778	S	S	*	*	S	Bend	trans	-114.2	17	176.5	55.6	0	0	0	0	113.6
318	Q	35.6	Very low	36	Very low	188 Å²	188	157.6 Å²	157.6	88%	0.879	78%	0.78	S	S	*	*			trans	-162.8	68.5	170.2	-108.8	161.3	14.9	0	0	111.3
319	L	30.8	Very low	37.9	Very low	150 Å²	150	153.9 Å²	153.9	79%	0.785	76%	0.756	S	S	*	*	S	Bend	trans	-127.8	101	153	-118.8	143.1	0	0	0	105.6
320	Q	31.2	Very low	39.7	Very low	165 Å²	165	152.1 Å²	152.1	77%	0.771	74%	0.743	S	S	*	*			trans	40.7	104.3	165	-70.5	169.8	-18.8	0	0	116.3	G322	Q320-G322 PolarHBondContact O-N 2.57Å
321	K	37.3	Very low	41.9	Very low	227 Å²	227	142.7 Å²	142.7	99%	0.987	70%	0.702	S	S	*	*			trans	-61	77.2	135.3	-74.8	-178.2	177.4	-179.4	0	107.1
322	G	28.3	Very low	43.7	Very low	44 Å²	44	138.5 Å²	138.5	45%	0.454	70%	0.698	S	S	.	*			trans	-91.3	137.4	149.6	0	0	0	0	0	105.9	Q320 K324	Q320-G322 PolarHBondContact O-N 2.57Å; G322-K324 PolarHBondContact O-N 2.99Å
323	D	45.4	Very low	45.3	Very low	169 Å²	169	134.6 Å²	134.6	90%	0.904	69%	0.689	S	S	*	*			trans	-29.2	109	-178.1	-74.5	-47.5	0	0	0	113.4	G325	D323-G325 PolarHBondContact O-N 3.33Å
324	K	40.7	Very low	47.1	Very low	204 Å²	204	127.5 Å²	127.5	89%	0.887	66%	0.664	S	S	*	*			trans	-90.9	97.5	161.7	-70.9	-169	179.4	-176.4	0	105.5	G322	G322-K324 PolarHBondContact O-N 2.99Å
325	G	40.7	Very low	48.7	Very low	58 Å²	58	122.4 Å²	122.4	60%	0.598	65%	0.648	S	S	*	*			trans	-45.5	155.7	-168.8	0	0	0	0	0	115.2	D323 K327	D323-G325 PolarHBondContact O-N 3.33Å; G325-K327 PolarHBondContact O-N 3.11Å
326	E	48.2	Very low	50.6	Low	152 Å²	152	122.4 Å²	122.4	71%	0.71	63%	0.634	S	S	*	*			trans	-36.2	132.5	171.5	-68.7	173	172.3	0	0	111.2	H328	E326-H328 VanDerWaalsContact CB-CE1 3.42Å; E326-H328 WeakPolarHBondContact CB-CE1 3.37Å; E326-H328 PolarHBondContact O-CD2 3Å; E326-H328 PolarHBondContact O-N 3.12Å; E326-H328 IonicContact OE2-CE1 3.09Å; E326-H328 PolarHBondContact OE2-CE1 3.41Å; E326-H328 IonicContact OE2-ND1 3.62Å; E326-H328 PolarHBondContact OE2-ND1 3.45Å; E326-H328 IonicContact OE2-NE2 2.99Å
327	K	50.7	Low	52.4	Low	148 Å²	148	117 Å²	117	64%	0.643	61%	0.611	S	S	*	*			trans	-69.9	83.2	170.9	-62.3	177.9	-176.6	172.8	0	107.9	G325 F329 A337	G325-K327 PolarHBondContact O-N 3.11Å; K327-F329 VanDerWaalsContact C-N 3.26Å; K327-F329 PolarHBondContact O-N 3.21Å; K327-A337 HydrophobicContact CB-CB 3.73Å; K327-A337 HydrophobicContact CD-CB 3.78Å; K327-A337 HydrophobicContact CG-CB 4.43Å
328	H	61.2	Low	54.7	Low	128 Å²	128	114.3 Å²	114.3	59%	0.593	59%	0.587	S	S	*	*			trans	-74.3	-11	-172.3	-63	-76.9	0	0	0	114.7	E326	E326-H328 VanDerWaalsContact CB-CE1 3.42Å; E326-H328 WeakPolarHBondContact CB-CE1 3.37Å; E326-H328 PolarHBondContact O-CD2 3Å; E326-H328 PolarHBondContact O-N 3.12Å; E326-H328 IonicContact OE2-CE1 3.09Å; E326-H328 PolarHBondContact OE2-CE1 3.41Å; E326-H328 IonicContact OE2-ND1 3.62Å; E326-H328 PolarHBondContact OE2-ND1 3.45Å; E326-H328 IonicContact OE2-NE2 2.99Å
329	F	66.4	Low	56.4	Low	75 Å²	75	114.1 Å²	114.1	33%	0.329	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.8	86.3	-172.7	-60.1	-68.4	0	0	0	110.9	K327 F338 K341 L344	K327-F329 VanDerWaalsContact C-N 3.26Å; K327-F329 PolarHBondContact O-N 3.21Å; F329-F338 PolarHBondContact O-N 3.15Å; F329-K341 HydrophobicContact CD1-CB 4.02Å; F329-K341 HydrophobicContact CD1-CG 4.15Å; F329-K341 HydrophobicContact CD2-CB 4.22Å; F329-K341 HydrophobicContact CE1-CB 3.92Å; F329-K341 HydrophobicContact CE1-CD 4.06Å; F329-K341 HydrophobicContact CE1-CG 4.12Å; F329-K341 HydrophobicContact CE2-CB 4.12Å; F329-K341 HydrophobicContact CG-CB 4.18Å; F329-K341 HydrophobicContact CZ-CB 3.97Å; F329-L344 HydrophobicContact CB-CB 4Å; F329-L344 HydrophobicContact CB-CD2 3.68Å; F329-L344 HydrophobicContact CB-CG 4.43Å
330	E	66.9	Low	58.4	Low	112 Å²	112	110.7 Å²	110.7	52%	0.523	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.9	139.4	176.4	-169.1	169	-178.8	0	0	111.8	N332 G335	E330-N332 PolarHBondContact O-N 3.28Å; E330-G335 WeakPolarHBondContact OE1-CA 3.49Å
331	C	74.7	Confident	60.2	Low	1 Å²	1	109.3 Å²	109.3	1%	0.007	55%	0.55	C	S	.	.			trans	-81.2	108.6	172.6	-176.7	0	0	0	0	109.9	E333 C334 G335 K336 L344 H351	C331-E333 PolarHBondContact O-N 3.34Å; C331-C334 PolarHBondContact O-N 3.06Å; C331-C334 VanDerWaalsContact O-N 3.14Å; C331-G335 WeakPolarHBondContact O-CA 3.32Å; C331-G335 PolarHBondContact O-N 3.33Å; C331-K336 PolarHBondContact N-O 2.86Å; C331-L344 HydrophobicContact CB-CD1 3.49Å; C331-L344 VanDerWaalsContact CB-CD1 3.49Å; C331-H351 PolarHBondContact SG-CD2 3.39Å; C331-H351 PolarHBondContact SG-NE2 3.43Å
332	N	67.8	Low	61.8	Low	157 Å²	157	101.4 Å²	101.4	84%	0.84	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.3	179.6	-62.8	-9	0	0	0	114	E330	E330-N332 PolarHBondContact O-N 3.28Å
333	E	63.2	Low	63.9	Low	126 Å²	126	101.1 Å²	101.1	59%	0.589	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-18.9	-178.7	-67	173.2	147.7	0	0	113.9	C331 H351	C331-E333 PolarHBondContact O-N 3.34Å; E333-H351 WeakPolarHBondContact OE2-CB 3.39Å; E333-H351 IonicContact OE2-CD2 3.03Å; E333-H351 PolarHBondContact OE2-CD2 3.07Å; E333-H351 IonicContact OE2-CG 2.96Å
334	C	73.5	Confident	65.3	Low	49 Å²	49	93.6 Å²	93.6	33%	0.331	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.9	12.5	-179.4	80.6	0	0	0	0	115.5	C331 K336 H347 H351	C331-C334 PolarHBondContact O-N 3.06Å; C331-C334 VanDerWaalsContact O-N 3.14Å; C334-K336 PolarHBondContact O-N 3.22Å; C334-K336 VanDerWaalsContact O-N 3.07Å; C334-H347 PolarHBondContact SG-NE2 3.34Å; C334-H351 PolarHBondContact SG-NE2 3.03Å
335	G	65.9	Low	66.6	Low	45 Å²	45	86.5 Å²	86.5	46%	0.464	44%	0.444	S	S	.	.			trans	63.7	13.8	175.8	0	0	0	0	0	115.5	E330 C331 A337	E330-G335 WeakPolarHBondContact OE1-CA 3.49Å; C331-G335 WeakPolarHBondContact O-CA 3.32Å; C331-G335 PolarHBondContact O-N 3.33Å; G335-A337 PolarHBondContact O-N 3.07Å
336	K	71.6	Confident	67.9	Low	122 Å²	122	88.9 Å²	88.9	53%	0.53	44%	0.435	S	S	.	.			trans	-83.8	120	-178.9	-75.1	177.3	-175.1	165.3	0	110.2	C331 C334 F338	C331-K336 PolarHBondContact N-O 2.86Å; C334-K336 PolarHBondContact O-N 3.22Å; C334-K336 VanDerWaalsContact O-N 3.07Å; K336-F338 HydrophobicContact CB-CE2 3.65Å; K336-F338 HydrophobicContact CB-CZ 3.91Å; K336-F338 VanDerWaalsContact O-CD2 3.25Å; K336-F338 WeakPolarHBondContact O-CD2 3.48Å; K336-F338 WeakPolarHBondContact O-CE2 3.28Å
337	A	69.2	Low	69	Low	40 Å²	40	82.9 Å²	82.9	33%	0.331	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.3	-179.9	0	0	0	0	0	112.3	K327 G335	K327-A337 HydrophobicContact CB-CB 3.73Å; K327-A337 HydrophobicContact CD-CB 3.78Å; K327-A337 HydrophobicContact CG-CB 4.43Å; G335-A337 PolarHBondContact O-N 3.07Å
338	F	80.3	Confident	69.8	Low	41 Å²	41	79 Å²	79	18%	0.18	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.5	-179.3	-60.5	-90.3	0	0	0	111	F329 K336 H343 L344 H347	F329-F338 PolarHBondContact O-N 3.15Å; K336-F338 HydrophobicContact CB-CE2 3.65Å; K336-F338 HydrophobicContact CB-CZ 3.91Å; K336-F338 VanDerWaalsContact O-CD2 3.25Å; K336-F338 WeakPolarHBondContact O-CD2 3.48Å; K336-F338 WeakPolarHBondContact O-CE2 3.28Å; F338-H343 HydrophobicContact CB-CB 4.12Å; F338-H343 HydrophobicContact CD1-CB 3.9Å; F338-H343 HydrophobicContact CG-CB 4.28Å; F338-L344 HydrophobicContact CB-CB 4.14Å; F338-L344 HydrophobicContact CD2-CB 3.92Å; F338-L344 HydrophobicContact CD2-CD1 3.72Å; F338-L344 HydrophobicContact CD2-CG 4.44Å; F338-L344 HydrophobicContact CE2-CD1 4.03Å; F338-L344 HydrophobicContact CG-CB 4.25Å; F338-H347 HydrophobicContact CD2-CB 4.48Å; F338-H347 HydrophobicContact CE1-CB 4Å; F338-H347 HydrophobicContact CE2-CB 3.67Å; F338-H347 AromaticContact CE2-CD2 3.31Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.33Å; F338-H347 AromaticContact CE2-CG 3.5Å; F338-H347 VanDerWaalsContact CE2-CG 3.5Å; F338-H347 HydrophobicContact CZ-CB 3.39Å; F338-H347 AromaticContact CZ-CD2 3.45Å; F338-H347 VanDerWaalsContact CZ-CD2 3.45Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.39Å; F338-H347 AromaticContact CZ-CG 3.19Å; F338-H347 AromaticContact CZ-ND1 3.71Å
339	W	69.7	Low	70.1	Confident	184 Å²	184	78.2 Å²	78.2	70%	0.697	38%	0.383	S	S	*	.	S	Bend	trans	-85.2	-15.9	-178.3	56	-77.7	0	0	0	113	H343	W339-H343 AromaticContact CE2-CE1 3.58Å; W339-H343 AromaticContact CE2-ND1 3.32Å; W339-H343 VanDerWaalsContact CE2-ND1 3.32Å; W339-H343 AromaticContact CH2-CE1 3.75Å; W339-H343 AromaticContact CZ2-CE1 3.17Å; W339-H343 WeakPolarHBondContact CZ2-CE1 3.49Å; W339-H343 AromaticContact CZ2-ND1 3.47Å; W339-H343 WeakPolarHBondContact CZ2-ND1 3.32Å; W339-H343 AromaticContact NE1-CE1 3.95Å; W339-H343 AromaticContact NE1-ND1 3.35Å; W339-H343 PolarHBondContact NE1-ND1 3.27Å
340	E	73.1	Confident	70	Confident	77 Å²	77	78.9 Å²	78.9	36%	0.36	39%	0.392	S	S	.	.	S	Bend	trans	-132.2	141.8	173.6	-76.4	179.2	-172.5	0	0	110.1	S342 H343 L344	E340-S342 WeakPolarHBondContact CB-OG 3.44Å; E340-S342 PolarHBondContact O-N 3.5Å; E340-S342 PolarHBondContact OE2-OG 3.13Å; E340-H343 HydrophobicContact CB-CB 4.46Å; E340-H343 WeakPolarHBondContact O-CB 3.4Å; E340-H343 PolarHBondContact O-N 3.2Å; E340-H343 IonicContact OE2-CE1 3.09Å; E340-H343 IonicContact OE2-ND1 3.98Å; E340-H343 IonicContact OE2-NE2 2.99Å; E340-L344 PolarHBondContact O-N 2.93Å; E340-L344 VanDerWaalsContact O-N 3.13Å
341	K	70.3	Confident	69.7	Low	136 Å²	136	76.9 Å²	76.9	59%	0.591	38%	0.383	S	S	*	.	H	α-helix	trans	-57.6	-34.8	171.9	-168.1	173.3	-178.1	176.5	0	111.6	F329 H343 L344 T345	F329-K341 HydrophobicContact CD1-CB 4.02Å; F329-K341 HydrophobicContact CD1-CG 4.15Å; F329-K341 HydrophobicContact CD2-CB 4.22Å; F329-K341 HydrophobicContact CE1-CB 3.92Å; F329-K341 HydrophobicContact CE1-CD 4.06Å; F329-K341 HydrophobicContact CE1-CG 4.12Å; F329-K341 HydrophobicContact CE2-CB 4.12Å; F329-K341 HydrophobicContact CG-CB 4.18Å; F329-K341 HydrophobicContact CZ-CB 3.97Å; K341-H343 VanDerWaalsContact C-N 3.27Å; K341-H343 PolarHBondContact O-N 2.92Å; K341-L344 PolarHBondContact O-N 3.07Å; K341-T345 WeakPolarHBondContact O-CB 3.28Å; K341-T345 PolarHBondContact O-N 3.15Å; K341-T345 PolarHBondContact O-OG1 2.77Å
342	S	70.4	Confident	69	Low	62 Å²	62	80.7 Å²	80.7	43%	0.434	41%	0.406	S	S	.	.	H	α-helix	trans	-55.7	-39.2	174.2	69	0	0	0	0	112.6	E340 R346	E340-S342 WeakPolarHBondContact CB-OG 3.44Å; E340-S342 PolarHBondContact O-N 3.5Å; E340-S342 PolarHBondContact OE2-OG 3.13Å; S342-R346 WeakPolarHBondContact O-CB 3.1Å; S342-R346 PolarHBondContact O-N 3.08Å
343	H	72.8	Confident	68.5	Low	37 Å²	37	75.6 Å²	75.6	17%	0.171	39%	0.391	C	S	.	.	H	α-helix	trans	-79.5	-37.5	-179.3	-68.6	155.1	0	0	0	112.4	F338 W339 E340 K341 R346 H347	F338-H343 HydrophobicContact CB-CB 4.12Å; F338-H343 HydrophobicContact CD1-CB 3.9Å; F338-H343 HydrophobicContact CG-CB 4.28Å; W339-H343 AromaticContact CE2-CE1 3.58Å; W339-H343 AromaticContact CE2-ND1 3.32Å; W339-H343 VanDerWaalsContact CE2-ND1 3.32Å; W339-H343 AromaticContact CH2-CE1 3.75Å; W339-H343 AromaticContact CZ2-CE1 3.17Å; W339-H343 WeakPolarHBondContact CZ2-CE1 3.49Å; W339-H343 AromaticContact CZ2-ND1 3.47Å; W339-H343 WeakPolarHBondContact CZ2-ND1 3.32Å; W339-H343 AromaticContact NE1-CE1 3.95Å; W339-H343 AromaticContact NE1-ND1 3.35Å; W339-H343 PolarHBondContact NE1-ND1 3.27Å; E340-H343 HydrophobicContact CB-CB 4.46Å; E340-H343 WeakPolarHBondContact O-CB 3.4Å; E340-H343 PolarHBondContact O-N 3.2Å; E340-H343 IonicContact OE2-CE1 3.09Å; E340-H343 IonicContact OE2-ND1 3.98Å; E340-H343 IonicContact OE2-NE2 2.99Å; K341-H343 VanDerWaalsContact C-N 3.27Å; K341-H343 PolarHBondContact O-N 2.92Å; H343-R346 PolarHBondContact CD2-NH2 3.22Å; H343-R346 PolarHBondContact NE2-NH2 3.41Å; H343-R346 PolarHBondContact O-N 3.19Å; H343-H347 VanDerWaalsContact O-CB 3.29Å; H343-H347 WeakPolarHBondContact O-CB 3.48Å; H343-H347 PolarHBondContact O-N 3.06Å
344	L	74.1	Confident	68.2	Low	12 Å²	12	75 Å²	75	6%	0.063	39%	0.388	C	S	.	.	H	α-helix	trans	-62.8	-47.5	169.1	175.5	62.5	0	0	0	110.8	F329 C331 F338 E340 K341 R346 H347 Q348	F329-L344 HydrophobicContact CB-CB 4Å; F329-L344 HydrophobicContact CB-CD2 3.68Å; F329-L344 HydrophobicContact CB-CG 4.43Å; C331-L344 HydrophobicContact CB-CD1 3.49Å; C331-L344 VanDerWaalsContact CB-CD1 3.49Å; F338-L344 HydrophobicContact CB-CB 4.14Å; F338-L344 HydrophobicContact CD2-CB 3.92Å; F338-L344 HydrophobicContact CD2-CD1 3.72Å; F338-L344 HydrophobicContact CD2-CG 4.44Å; F338-L344 HydrophobicContact CE2-CD1 4.03Å; F338-L344 HydrophobicContact CG-CB 4.25Å; E340-L344 PolarHBondContact O-N 2.93Å; E340-L344 VanDerWaalsContact O-N 3.13Å; K341-L344 PolarHBondContact O-N 3.07Å; L344-R346 VanDerWaalsContact C-N 3.31Å; L344-R346 PolarHBondContact O-N 3.06Å; L344-H347 CarbonylContact O-C 3.52Å; L344-H347 WeakPolarHBondContact O-CA 3.27Å; L344-H347 WeakPolarHBondContact O-CB 3.31Å; L344-H347 PolarHBondContact O-N 2.79Å; L344-Q348 HydrophobicContact CD1-CG 4.06Å; L344-Q348 HydrophobicContact CG-CG 4.27Å; L344-Q348 WeakPolarHBondContact O-CG 3.42Å; L344-Q348 PolarHBondContact O-N 3.23Å
345	T	68.5	Low	67.4	Low	55 Å²	55	78 Å²	78	34%	0.337	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-37.4	177.2	-58.1	0	0	0	0	111.9	K341 H347 R349	K341-T345 WeakPolarHBondContact O-CB 3.28Å; K341-T345 PolarHBondContact O-N 3.15Å; K341-T345 PolarHBondContact O-OG1 2.77Å; T345-H347 VanDerWaalsContact C-N 3.33Å; T345-R349 WeakPolarHBondContact O-CG 3.45Å
346	R	67.4	Low	67.4	Low	108 Å²	108	82.2 Å²	82.2	41%	0.408	40%	0.403	S	S	.	.	H	α-helix	trans	-65.7	-37.2	171	178.1	172.5	59	-166.3	-6.2	112.1	S342 H343 L344 R349 E368	S342-R346 WeakPolarHBondContact O-CB 3.1Å; S342-R346 PolarHBondContact O-N 3.08Å; H343-R346 PolarHBondContact CD2-NH2 3.22Å; H343-R346 PolarHBondContact NE2-NH2 3.41Å; H343-R346 PolarHBondContact O-N 3.19Å; L344-R346 VanDerWaalsContact C-N 3.31Å; L344-R346 PolarHBondContact O-N 3.06Å; R346-R349 WeakPolarHBondContact O-CB 3.49Å; R346-R349 PolarHBondContact O-N 3.04Å; R346-E368 WeakPolarHBondContact CD-OE1 3.39Å; R346-E368 IonicContact NE-OE1 3.51Å; R346-E368 IonicContact NH1-OE1 3.7Å; R346-E368 PolarHBondContact NH1-OE1 2.99Å
347	H	71.7	Confident	67.3	Low	25 Å²	25	80 Å²	80	12%	0.116	39%	0.393	C	S	.	.	H	α-helix	trans	-72.8	-37.7	179.7	178.6	63.9	0	0	0	112.9	C334 F338 H343 L344 T345 R349 V350 H351	C334-H347 PolarHBondContact SG-NE2 3.34Å; F338-H347 HydrophobicContact CD2-CB 4.48Å; F338-H347 HydrophobicContact CE1-CB 4Å; F338-H347 HydrophobicContact CE2-CB 3.67Å; F338-H347 AromaticContact CE2-CD2 3.31Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.33Å; F338-H347 AromaticContact CE2-CG 3.5Å; F338-H347 VanDerWaalsContact CE2-CG 3.5Å; F338-H347 HydrophobicContact CZ-CB 3.39Å; F338-H347 AromaticContact CZ-CD2 3.45Å; F338-H347 VanDerWaalsContact CZ-CD2 3.45Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.39Å; F338-H347 AromaticContact CZ-CG 3.19Å; F338-H347 AromaticContact CZ-ND1 3.71Å; H343-H347 VanDerWaalsContact O-CB 3.29Å; H343-H347 WeakPolarHBondContact O-CB 3.48Å; H343-H347 PolarHBondContact O-N 3.06Å; L344-H347 CarbonylContact O-C 3.52Å; L344-H347 WeakPolarHBondContact O-CA 3.27Å; L344-H347 WeakPolarHBondContact O-CB 3.31Å; L344-H347 PolarHBondContact O-N 2.79Å; T345-H347 VanDerWaalsContact C-N 3.33Å; H347-R349 PolarHBondContact O-N 3.5Å; H347-R349 VanDerWaalsContact O-N 3.16Å; H347-V350 WeakPolarHBondContact O-CB 3.28Å; H347-V350 VanDerWaalsContact O-CG2 3.3Å; H347-V350 WeakPolarHBondContact O-CG2 3.42Å; H347-V350 PolarHBondContact O-N 3.47Å; H347-H351 AromaticContact NE2-NE2 3.49Å; H347-H351 PolarHBondContact NE2-NE2 2.82Å
348	Q	66.5	Low	67.2	Low	68 Å²	68	83.4 Å²	83.4	32%	0.318	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-22	174.3	-73.9	169.8	-33.5	0	0	112.8	L344 V350 H351 T352	L344-Q348 HydrophobicContact CD1-CG 4.06Å; L344-Q348 HydrophobicContact CG-CG 4.27Å; L344-Q348 WeakPolarHBondContact O-CG 3.42Å; L344-Q348 PolarHBondContact O-N 3.23Å; Q348-V350 PolarHBondContact O-N 3.19Å; Q348-H351 PolarHBondContact O-N 3.3Å; Q348-T352 PolarHBondContact O-N 2.89Å; Q348-T352 VanDerWaalsContact O-N 3.14Å; Q348-T352 PolarHBondContact O-OG1 2.91Å
349	R	69	Low	66.9	Low	111 Å²	111	81.5 Å²	81.5	42%	0.419	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-14.9	170.5	-62.8	173.2	-168.5	178.8	0.9	113.9	T345 R346 H347 T352	T345-R349 WeakPolarHBondContact O-CG 3.45Å; R346-R349 WeakPolarHBondContact O-CB 3.49Å; R346-R349 PolarHBondContact O-N 3.04Å; H347-R349 PolarHBondContact O-N 3.5Å; H347-R349 VanDerWaalsContact O-N 3.16Å; R349-T352 WeakPolarHBondContact CA-OG1 3.37Å
350	V	62.8	Low	66.9	Low	88 Å²	88	80.1 Å²	80.1	53%	0.533	40%	0.4	S	S	.	.	H	α-helix	trans	-76.2	-35.5	174.4	-178.4	0	0	0	0	110.6	H347 Q348	H347-V350 WeakPolarHBondContact O-CB 3.28Å; H347-V350 VanDerWaalsContact O-CG2 3.3Å; H347-V350 WeakPolarHBondContact O-CG2 3.42Å; H347-V350 PolarHBondContact O-N 3.47Å; Q348-V350 PolarHBondContact O-N 3.19Å
351	H	62.3	Low	66.5	Low	71 Å²	71	83.1 Å²	83.1	33%	0.329	41%	0.414	S	S	.	.	H	α-helix	trans	-85.6	-38.7	-177.5	-58.9	-48.8	0	0	0	112.8	C331 E333 C334 H347 Q348 G353	C331-H351 PolarHBondContact SG-CD2 3.39Å; C331-H351 PolarHBondContact SG-NE2 3.43Å; E333-H351 WeakPolarHBondContact OE2-CB 3.39Å; E333-H351 IonicContact OE2-CD2 3.03Å; E333-H351 PolarHBondContact OE2-CD2 3.07Å; E333-H351 IonicContact OE2-CG 2.96Å; C334-H351 PolarHBondContact SG-NE2 3.03Å; H347-H351 AromaticContact NE2-NE2 3.49Å; H347-H351 PolarHBondContact NE2-NE2 2.82Å; Q348-H351 PolarHBondContact O-N 3.3Å; H351-G353 PolarHBondContact O-N 3.31Å
352	T	59.8	Low	66.4	Low	81 Å²	81	79 Å²	79	50%	0.497	40%	0.402	S	S	.	.	S	Bend	trans	-72.4	-10.7	176.6	47.3	0	0	0	0	114	Q348 R349 E354	Q348-T352 PolarHBondContact O-N 2.89Å; Q348-T352 VanDerWaalsContact O-N 3.14Å; Q348-T352 PolarHBondContact O-OG1 2.91Å; R349-T352 WeakPolarHBondContact CA-OG1 3.37Å; T352-E354 PolarHBondContact O-N 3.21Å
353	G	56	Low	66	Low	49 Å²	49	78 Å²	78	51%	0.505	40%	0.401	S	S	.	.			trans	67.5	1.4	176.8	0	0	0	0	0	115.8	H351 K355	H351-G353 PolarHBondContact O-N 3.31Å; G353-K355 PolarHBondContact O-N 3.35Å
354	E	56.6	Low	65.8	Low	113 Å²	113	82.2 Å²	82.2	53%	0.528	42%	0.419	S	S	.	.			trans	-73.9	86.6	-174	-65.4	-172.3	155.6	0	0	113	T352 H356	T352-E354 PolarHBondContact O-N 3.21Å; E354-H356 PolarHBondContact O-N 3.16Å; E354-H356 PolarHBondContact O-ND1 2.87Å; E354-H356 VanDerWaalsContact O-ND1 3.07Å; E354-H356 IonicContact OE2-CE1 2.82Å; E354-H356 PolarHBondContact OE2-CE1 3.06Å
355	K	58.3	Low	65.5	Low	114 Å²	114	84 Å²	84	50%	0.496	43%	0.431	S	S	.	.			trans	-92.1	90.1	176.2	-62.3	170.4	178.6	173.6	0	111	G353 F357 T365	G353-K355 PolarHBondContact O-N 3.35Å; K355-F357 PolarHBondContact O-N 3.36Å; K355-T365 HydrophobicContact CB-CG2 4.49Å; K355-T365 WeakPolarHBondContact CB-OG1 3.44Å; K355-T365 WeakPolarHBondContact CD-OG1 2.82Å
356	H	65.9	Low	65.8	Low	132 Å²	132	83.4 Å²	83.4	61%	0.611	42%	0.424	S	S	*	.			trans	-73.1	-20.3	-172.7	-68.9	77.7	0	0	0	115.6	E354	E354-H356 PolarHBondContact O-N 3.16Å; E354-H356 PolarHBondContact O-ND1 2.87Å; E354-H356 VanDerWaalsContact O-ND1 3.07Å; E354-H356 IonicContact OE2-CE1 2.82Å; E354-H356 PolarHBondContact OE2-CE1 3.06Å
357	F	68.4	Low	65.6	Low	76 Å²	76	84.9 Å²	84.9	33%	0.333	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	93.1	-173.5	-60.6	-73.9	0	0	0	111.1	K355 T365 F366 K369 L372	K355-F357 PolarHBondContact O-N 3.36Å; F357-T365 CarbonylContact O-C 3.36Å; F357-T365 WeakPolarHBondContact O-CA 3.17Å; F357-F366 HydrophobicContact CB-CB 4.45Å; F357-F366 PolarHBondContact N-O 3.41Å; F357-F366 VanDerWaalsContact N-O 3.15Å; F357-F366 PolarHBondContact O-N 3.35Å; F357-K369 HydrophobicContact CD1-CB 4.02Å; F357-K369 HydrophobicContact CD1-CG 4.37Å; F357-K369 HydrophobicContact CD2-CB 4.46Å; F357-K369 HydrophobicContact CE1-CB 3.88Å; F357-K369 HydrophobicContact CE1-CD 4.46Å; F357-K369 HydrophobicContact CE1-CG 4.35Å; F357-K369 HydrophobicContact CE2-CB 4.33Å; F357-K369 HydrophobicContact CG-CB 4.3Å; F357-K369 HydrophobicContact CZ-CB 4.05Å; F357-L372 HydrophobicContact CB-CB 4.07Å; F357-L372 HydrophobicContact CB-CD2 3.77Å
358	Q	67.5	Low	65.5	Low	112 Å²	112	86 Å²	86	52%	0.523	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137.4	179.3	-168.1	172.2	2	0	0	112.3	N360 T365	Q358-N360 PolarHBondContact O-N 3.34Å; Q358-T365 HydrophobicContact CB-CG2 3.86Å; Q358-T365 HydrophobicContact CG-CG2 3.76Å
359	C	74.5	Confident	65.7	Low	1 Å²	1	89.6 Å²	89.6	1%	0.007	45%	0.449	C	S	.	.			trans	-80.6	113.6	168.1	-175.6	0	0	0	0	110	Q361 C362 G363 K364 F366 L372	C359-Q361 PolarHBondContact O-N 3.28Å; C359-Q361 VanDerWaalsContact O-N 3.11Å; C359-C362 PolarHBondContact O-N 3.18Å; C359-G363 VanDerWaalsContact O-CA 3.31Å; C359-G363 WeakPolarHBondContact O-CA 3.4Å; C359-G363 PolarHBondContact O-N 3.35Å; C359-K364 WeakPolarHBondContact CB-O 3.44Å; C359-K364 PolarHBondContact N-O 2.9Å; C359-F366 HydrophobicContact CB-CE2 4.39Å; C359-L372 HydrophobicContact CB-CD1 3.59Å
360	N	69.8	Low	65.8	Low	155 Å²	155	86.9 Å²	86.9	83%	0.829	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.5	-179.7	-61.9	-11.9	0	0	0	113.9	Q358	Q358-N360 PolarHBondContact O-N 3.34Å
361	Q	63.6	Low	66.2	Low	139 Å²	139	84.3 Å²	84.3	65%	0.65	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-24.5	-178.1	-65.4	-168.9	3.7	0	0	114.6	C359	C359-Q361 PolarHBondContact O-N 3.28Å; C359-Q361 VanDerWaalsContact O-N 3.11Å
362	C	67.6	Low	66.8	Low	51 Å²	51	81.6 Å²	81.6	35%	0.345	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.1	10.5	-178.9	79.7	0	0	0	0	114.3	C359 K364 H375 H379	C359-C362 PolarHBondContact O-N 3.18Å; C362-K364 PolarHBondContact O-N 3.17Å; C362-K364 VanDerWaalsContact SG-CG 3.58Å; C362-H375 PolarHBondContact SG-NE2 3.16Å; C362-H379 PolarHBondContact SG-NE2 3.17Å
363	G	63.9	Low	67.4	Low	40 Å²	40	80.5 Å²	80.5	41%	0.412	41%	0.412	S	S	.	.			trans	67.1	-1	177	0	0	0	0	0	115.9	C359 T365	C359-G363 VanDerWaalsContact O-CA 3.31Å; C359-G363 WeakPolarHBondContact O-CA 3.4Å; C359-G363 PolarHBondContact O-N 3.35Å; G363-T365 PolarHBondContact O-N 2.84Å
364	K	68.3	Low	68.1	Low	125 Å²	125	82.9 Å²	82.9	54%	0.543	41%	0.408	S	S	.	.			trans	-70.6	129.9	-177.3	-72.3	-179.4	-176.8	-179.5	0	110.7	C359 C362 F366	C359-K364 WeakPolarHBondContact CB-O 3.44Å; C359-K364 PolarHBondContact N-O 2.9Å; C362-K364 PolarHBondContact O-N 3.17Å; C362-K364 VanDerWaalsContact SG-CG 3.58Å; K364-F366 HydrophobicContact CB-CE2 3.76Å; K364-F366 HydrophobicContact CB-CZ 3.98Å; K364-F366 WeakPolarHBondContact O-CD2 3.47Å; K364-F366 VanDerWaalsContact O-CE2 3.31Å; K364-F366 WeakPolarHBondContact O-CE2 3.37Å
365	T	67.6	Low	69	Low	51 Å²	51	78.9 Å²	78.9	31%	0.313	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.3	-177.8	53.6	0	0	0	0	110.9	K355 F357 Q358 G363	K355-T365 HydrophobicContact CB-CG2 4.49Å; K355-T365 WeakPolarHBondContact CB-OG1 3.44Å; K355-T365 WeakPolarHBondContact CD-OG1 2.82Å; F357-T365 CarbonylContact O-C 3.36Å; F357-T365 WeakPolarHBondContact O-CA 3.17Å; Q358-T365 HydrophobicContact CB-CG2 3.86Å; Q358-T365 HydrophobicContact CG-CG2 3.76Å; G363-T365 PolarHBondContact O-N 2.84Å
366	F	75.1	Confident	69.5	Low	42 Å²	42	77.2 Å²	77.2	18%	0.184	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.1	-175.1	-61.7	-91.8	0	0	0	110.9	F357 C359 K364 N371 L372 H375	F357-F366 HydrophobicContact CB-CB 4.45Å; F357-F366 PolarHBondContact N-O 3.41Å; F357-F366 VanDerWaalsContact N-O 3.15Å; F357-F366 PolarHBondContact O-N 3.35Å; C359-F366 HydrophobicContact CB-CE2 4.39Å; K364-F366 HydrophobicContact CB-CE2 3.76Å; K364-F366 HydrophobicContact CB-CZ 3.98Å; K364-F366 WeakPolarHBondContact O-CD2 3.47Å; K364-F366 VanDerWaalsContact O-CE2 3.31Å; K364-F366 WeakPolarHBondContact O-CE2 3.37Å; F366-N371 HydrophobicContact CD1-CB 4.16Å; F366-L372 HydrophobicContact CB-CB 4.19Å; F366-L372 HydrophobicContact CD2-CB 3.95Å; F366-L372 HydrophobicContact CD2-CD1 3.67Å; F366-L372 HydrophobicContact CD2-CG 4.41Å; F366-L372 HydrophobicContact CE2-CD1 3.91Å; F366-L372 HydrophobicContact CG-CB 4.21Å; F366-H375 HydrophobicContact CE1-CB 3.82Å; F366-H375 HydrophobicContact CE2-CB 3.87Å; F366-H375 AromaticContact CE2-CD2 3.24Å; F366-H375 WeakPolarHBondContact CE2-CD2 3.49Å; F366-H375 AromaticContact CE2-CG 3.59Å; F366-H375 AromaticContact CE2-NE2 3.97Å; F366-H375 HydrophobicContact CZ-CB 3.38Å; F366-H375 AromaticContact CZ-CD2 3.29Å; F366-H375 WeakPolarHBondContact CZ-CD2 3.45Å; F366-H375 AromaticContact CZ-CG 3.14Å; F366-H375 AromaticContact CZ-ND1 3.74Å; F366-H375 AromaticContact CZ-NE2 3.91Å
367	W	61.9	Low	70	Confident	138 Å²	138	74 Å²	74	52%	0.523	37%	0.366	S	S	.	.	S	Bend	trans	-79.3	-17.4	179.5	57.1	67.7	0	0	0	113.9	N371	W367-N371 PolarHBondContact NE1-ND2 3.01Å
368	E	70.9	Confident	69.8	Low	49 Å²	49	74.2 Å²	74.2	23%	0.229	38%	0.377	C	S	.	.	S	Bend	trans	-137.6	137.1	-179	-90.6	170.6	-164.4	0	0	109.8	R346 S370 N371 L372	R346-E368 WeakPolarHBondContact CD-OE1 3.39Å; R346-E368 IonicContact NE-OE1 3.51Å; R346-E368 IonicContact NH1-OE1 3.7Å; R346-E368 PolarHBondContact NH1-OE1 2.99Å; E368-S370 PolarHBondContact O-N 3.06Å; E368-S370 PolarHBondContact OE2-OG 3.2Å; E368-S370 VanDerWaalsContact OE2-OG 3.13Å; E368-N371 HydrophobicContact CB-CB 4.48Å; E368-N371 PolarHBondContact O-N 3.01Å; E368-N371 PolarHBondContact OE2-ND2 3.38Å; E368-N371 VanDerWaalsContact OE2-ND2 3.1Å; E368-L372 PolarHBondContact O-N 3.49Å; E368-L372 VanDerWaalsContact O-N 3.12Å
369	K	70.1	Confident	69.8	Low	143 Å²	143	72.2 Å²	72.2	62%	0.622	37%	0.367	S	S	*	.	H	α-helix	trans	-55	-36.7	172.9	-170.3	175.7	-179.1	178.1	0	111.9	F357 N371 L372 T373	F357-K369 HydrophobicContact CD1-CB 4.02Å; F357-K369 HydrophobicContact CD1-CG 4.37Å; F357-K369 HydrophobicContact CD2-CB 4.46Å; F357-K369 HydrophobicContact CE1-CB 3.88Å; F357-K369 HydrophobicContact CE1-CD 4.46Å; F357-K369 HydrophobicContact CE1-CG 4.35Å; F357-K369 HydrophobicContact CE2-CB 4.33Å; F357-K369 HydrophobicContact CG-CB 4.3Å; F357-K369 HydrophobicContact CZ-CB 4.05Å; K369-N371 PolarHBondContact O-N 3.32Å; K369-L372 PolarHBondContact O-N 3.19Å; K369-T373 PolarHBondContact O-N 2.78Å; K369-T373 PolarHBondContact O-OG1 3.36Å
370	S	70.7	Confident	69.3	Low	54 Å²	54	75.8 Å²	75.8	38%	0.378	39%	0.389	S	S	.	.	H	α-helix	trans	-59	-34.7	176.8	79.4	0	0	0	0	112.8	E368 K374	E368-S370 PolarHBondContact O-N 3.06Å; E368-S370 PolarHBondContact OE2-OG 3.2Å; E368-S370 VanDerWaalsContact OE2-OG 3.13Å; S370-K374 VanDerWaalsContact O-CG 3.22Å; S370-K374 WeakPolarHBondContact O-CG 3.48Å; S370-K374 PolarHBondContact O-N 2.74Å; S370-K374 VanDerWaalsContact O-N 3.08Å
371	N	71.4	Confident	69.1	Low	34 Å²	34	70.8 Å²	70.8	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-84.2	-33.8	-179.5	-62.9	-36.8	0	0	0	111.4	F366 W367 E368 K369 K374 H375	F366-N371 HydrophobicContact CD1-CB 4.16Å; W367-N371 PolarHBondContact NE1-ND2 3.01Å; E368-N371 HydrophobicContact CB-CB 4.48Å; E368-N371 PolarHBondContact O-N 3.01Å; E368-N371 PolarHBondContact OE2-ND2 3.38Å; E368-N371 VanDerWaalsContact OE2-ND2 3.1Å; K369-N371 PolarHBondContact O-N 3.32Å; N371-K374 PolarHBondContact O-N 3.31Å; N371-K374 PolarHBondContact OD1-NZ 3.11Å; N371-K374 VanDerWaalsContact OD1-NZ 3.16Å; N371-H375 VanDerWaalsContact O-CB 3.29Å; N371-H375 WeakPolarHBondContact O-CB 3.36Å; N371-H375 PolarHBondContact O-N 3.24Å
372	L	75.3	Confident	69.3	Low	15 Å²	15	69.4 Å²	69.4	8%	0.079	37%	0.368	C	S	.	.	H	α-helix	trans	-60.5	-45.9	166.6	175.4	62	0	0	0	111.1	F357 C359 F366 E368 K369 K374 H375 Q376	F357-L372 HydrophobicContact CB-CB 4.07Å; F357-L372 HydrophobicContact CB-CD2 3.77Å; C359-L372 HydrophobicContact CB-CD1 3.59Å; F366-L372 HydrophobicContact CB-CB 4.19Å; F366-L372 HydrophobicContact CD2-CB 3.95Å; F366-L372 HydrophobicContact CD2-CD1 3.67Å; F366-L372 HydrophobicContact CD2-CG 4.41Å; F366-L372 HydrophobicContact CE2-CD1 3.91Å; F366-L372 HydrophobicContact CG-CB 4.21Å; E368-L372 PolarHBondContact O-N 3.49Å; E368-L372 VanDerWaalsContact O-N 3.12Å; K369-L372 PolarHBondContact O-N 3.19Å; L372-K374 PolarHBondContact O-N 3.27Å; L372-H375 CarbonylContact O-C 3.35Å; L372-H375 WeakPolarHBondContact O-CB 3.26Å; L372-H375 PolarHBondContact O-N 3.01Å; L372-H375 VanDerWaalsContact O-N 3.12Å; L372-Q376 HydrophobicContact CD1-CG 4.12Å; L372-Q376 HydrophobicContact CG-CG 4.34Å; L372-Q376 WeakPolarHBondContact O-CG 3.25Å; L372-Q376 PolarHBondContact O-N 3.37Å
373	T	71.5	Confident	69.7	Low	58 Å²	58	73 Å²	73	36%	0.356	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-39.9	177.6	-56	0	0	0	0	112.1	K369 H375 Q376	K369-T373 PolarHBondContact O-N 2.78Å; K369-T373 PolarHBondContact O-OG1 3.36Å; T373-H375 VanDerWaalsContact C-N 3.31Å; T373-H375 PolarHBondContact O-N 3.04Å; T373-Q376 PolarHBondContact O-N 2.87Å
374	K	70.6	Confident	70.3	Confident	98 Å²	98	74.6 Å²	74.6	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-63.3	-38.5	172.3	-73	167.1	-164.1	162.5	0	111.9	S370 N371 L372	S370-K374 VanDerWaalsContact O-CG 3.22Å; S370-K374 WeakPolarHBondContact O-CG 3.48Å; S370-K374 PolarHBondContact O-N 2.74Å; S370-K374 VanDerWaalsContact O-N 3.08Å; N371-K374 PolarHBondContact O-N 3.31Å; N371-K374 PolarHBondContact OD1-NZ 3.11Å; N371-K374 VanDerWaalsContact OD1-NZ 3.16Å; L372-K374 PolarHBondContact O-N 3.27Å
375	H	75.3	Confident	70.7	Confident	29 Å²	29	71.5 Å²	71.5	13%	0.134	37%	0.367	C	S	.	.	H	α-helix	trans	-70.8	-38.8	177.4	170.7	64	0	0	0	112.6	C362 F366 N371 L372 T373 R377 S378 H379	C362-H375 PolarHBondContact SG-NE2 3.16Å; F366-H375 HydrophobicContact CE1-CB 3.82Å; F366-H375 HydrophobicContact CE2-CB 3.87Å; F366-H375 AromaticContact CE2-CD2 3.24Å; F366-H375 WeakPolarHBondContact CE2-CD2 3.49Å; F366-H375 AromaticContact CE2-CG 3.59Å; F366-H375 AromaticContact CE2-NE2 3.97Å; F366-H375 HydrophobicContact CZ-CB 3.38Å; F366-H375 AromaticContact CZ-CD2 3.29Å; F366-H375 WeakPolarHBondContact CZ-CD2 3.45Å; F366-H375 AromaticContact CZ-CG 3.14Å; F366-H375 AromaticContact CZ-ND1 3.74Å; F366-H375 AromaticContact CZ-NE2 3.91Å; N371-H375 VanDerWaalsContact O-CB 3.29Å; N371-H375 WeakPolarHBondContact O-CB 3.36Å; N371-H375 PolarHBondContact O-N 3.24Å; L372-H375 CarbonylContact O-C 3.35Å; L372-H375 WeakPolarHBondContact O-CB 3.26Å; L372-H375 PolarHBondContact O-N 3.01Å; L372-H375 VanDerWaalsContact O-N 3.12Å; T373-H375 VanDerWaalsContact C-N 3.31Å; T373-H375 PolarHBondContact O-N 3.04Å; H375-R377 PolarHBondContact O-N 3.34Å; H375-R377 VanDerWaalsContact O-N 3.14Å; H375-S378 WeakPolarHBondContact O-CB 3.42Å; H375-S378 PolarHBondContact O-N 3.2Å; H375-S378 PolarHBondContact O-OG 3.41Å; H375-H379 AromaticContact CD2-NE2 3.94Å; H375-H379 AromaticContact CE1-NE2 3.37Å; H375-H379 PolarHBondContact CE1-NE2 3.43Å; H375-H379 AromaticContact NE2-CD2 3.83Å; H375-H379 AromaticContact NE2-NE2 3.05Å; H375-H379 PolarHBondContact NE2-NE2 2.83Å
376	Q	70	Confident	71.1	Confident	79 Å²	79	74.6 Å²	74.6	37%	0.369	38%	0.378	S	S	.	.	H	α-helix	trans	-57.6	-30.9	178.2	-78.3	170.3	-34.8	0	0	112.5	L372 T373 S378 H379 T380	L372-Q376 HydrophobicContact CD1-CG 4.12Å; L372-Q376 HydrophobicContact CG-CG 4.34Å; L372-Q376 WeakPolarHBondContact O-CG 3.25Å; L372-Q376 PolarHBondContact O-N 3.37Å; T373-Q376 PolarHBondContact O-N 2.87Å; Q376-S378 PolarHBondContact O-N 3.21Å; Q376-S378 VanDerWaalsContact O-N 3.17Å; Q376-H379 PolarHBondContact O-N 3.05Å; Q376-T380 PolarHBondContact O-N 3.43Å; Q376-T380 VanDerWaalsContact O-N 3.1Å; Q376-T380 PolarHBondContact O-OG1 2.95Å
377	R	76.7	Confident	71.4	Confident	64 Å²	64	72.6 Å²	72.6	24%	0.242	37%	0.37	C	S	.	.	H	α-helix	trans	-60.7	-21.5	172.8	-62.4	177.2	-172.5	176.7	0.7	113.9	H375 H379 G381 E382 S395	H375-R377 PolarHBondContact O-N 3.34Å; H375-R377 VanDerWaalsContact O-N 3.14Å; R377-H379 VanDerWaalsContact C-N 3.29Å; R377-G381 PolarHBondContact O-N 3.02Å; R377-E382 HydrophobicContact CG-CB 4.47Å; R377-S395 PolarHBondContact NH1-O 2.97Å
378	S	63.5	Low	72	Confident	82 Å²	82	73.7 Å²	73.7	57%	0.573	39%	0.386	S	S	*	.	H	α-helix	trans	-74.1	-22	174	73.7	0	0	0	0	113.1	H375 Q376	H375-S378 WeakPolarHBondContact O-CB 3.42Å; H375-S378 PolarHBondContact O-N 3.2Å; H375-S378 PolarHBondContact O-OG 3.41Å; Q376-S378 PolarHBondContact O-N 3.21Å; Q376-S378 VanDerWaalsContact O-N 3.17Å
379	H	66.8	Low	72.1	Confident	69 Å²	69	77.7 Å²	77.7	32%	0.319	40%	0.404	S	S	.	.	H	α-helix	trans	-96	-39.5	178.4	-57.1	-60.8	0	0	0	112.4	C362 H375 Q376 R377 G381	C362-H379 PolarHBondContact SG-NE2 3.17Å; H375-H379 AromaticContact CD2-NE2 3.94Å; H375-H379 AromaticContact CE1-NE2 3.37Å; H375-H379 PolarHBondContact CE1-NE2 3.43Å; H375-H379 AromaticContact NE2-CD2 3.83Å; H375-H379 AromaticContact NE2-NE2 3.05Å; H375-H379 PolarHBondContact NE2-NE2 2.83Å; Q376-H379 PolarHBondContact O-N 3.05Å; R377-H379 VanDerWaalsContact C-N 3.29Å; H379-G381 VanDerWaalsContact C-N 3.28Å; H379-G381 PolarHBondContact O-N 3.47Å
380	T	64.1	Low	72.2	Confident	77 Å²	77	73.4 Å²	73.4	47%	0.472	39%	0.391	S	S	.	.	H	α-helix	trans	-78.2	-13.8	179.1	59.8	0	0	0	0	113.3	Q376 E382	Q376-T380 PolarHBondContact O-N 3.43Å; Q376-T380 VanDerWaalsContact O-N 3.1Å; Q376-T380 PolarHBondContact O-OG1 2.95Å; T380-E382 PolarHBondContact O-N 3.48Å; T380-E382 WeakPolarHBondContact OG1-CG 3.27Å
381	G	66.3	Low	72.3	Confident	49 Å²	49	72.9 Å²	72.9	51%	0.505	40%	0.395	S	S	.	.			trans	69.5	6.8	-177.2	0	0	0	0	0	113.9	R377 H379 K383	R377-G381 PolarHBondContact O-N 3.02Å; H379-G381 VanDerWaalsContact C-N 3.28Å; H379-G381 PolarHBondContact O-N 3.47Å; G381-K383 WeakPolarHBondContact O-CG 3.45Å; G381-K383 PolarHBondContact O-N 3.43Å
382	E	67.4	Low	72.5	Confident	110 Å²	110	77.2 Å²	77.2	51%	0.514	41%	0.412	S	S	.	.			trans	-58	124.7	178.2	-76.8	176.2	-161.6	0	0	110.8	R377 T380 P384	R377-E382 HydrophobicContact CG-CB 4.47Å; T380-E382 PolarHBondContact O-N 3.48Å; T380-E382 WeakPolarHBondContact OG1-CG 3.27Å; E382-P384 WeakPolarHBondContact O-CD 3.43Å
383	K	75.3	Confident	72.6	Confident	127 Å²	127	78 Å²	78	55%	0.552	42%	0.421	S	S	*	.			trans	-124	75.2	-179.8	-75.8	163	167.5	-170.1	0	109.8	G381 F385 A393 F394	G381-K383 WeakPolarHBondContact O-CG 3.45Å; G381-K383 PolarHBondContact O-N 3.43Å; K383-F385 PolarHBondContact O-N 2.95Å; K383-A393 HydrophobicContact CB-CB 3.47Å; K383-A393 VanDerWaalsContact CB-CB 3.47Å; K383-A393 HydrophobicContact CD-CB 4.18Å; K383-A393 VanDerWaalsContact CD-O 3.23Å; K383-A393 WeakPolarHBondContact CD-O 3.48Å; K383-A393 HydrophobicContact CG-CB 4.4Å; K383-F394 CarbonylContact C-O 3.52Å; K383-F394 VanDerWaalsContact CA-O 3.27Å; K383-F394 WeakPolarHBondContact CA-O 3.22Å
384	P	76.9	Confident	73	Confident	73 Å²	73	77.3 Å²	77.3	47%	0.474	41%	0.413	S	S	.	.			trans	-68.5	-9.7	-171.5	-20.4	34.3	0	0	0	114.7	E382	E382-P384 WeakPolarHBondContact O-CD 3.43Å
385	F	77.4	Confident	73.2	Confident	61 Å²	61	74.4 Å²	74.4	27%	0.268	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	95.7	-174	-57	-76.7	0	0	0	109.9	K383 A393 F394 H396 K397 L400	K383-F385 PolarHBondContact O-N 2.95Å; F385-A393 CarbonylContact O-C 3.54Å; F385-A393 WeakPolarHBondContact O-CA 3.44Å; F385-F394 HydrophobicContact CB-CB 4.48Å; F385-F394 WeakPolarHBondContact CB-O 3.48Å; F385-F394 PolarHBondContact N-O 2.85Å; F385-F394 VanDerWaalsContact N-O 3.09Å; F385-F394 PolarHBondContact O-N 3.07Å; F385-H396 VanDerWaalsContact CD2-C 3.42Å; F385-K397 HydrophobicContact CD1-CB 4Å; F385-K397 HydrophobicContact CD1-CG 4.45Å; F385-K397 HydrophobicContact CE1-CB 3.88Å; F385-K397 HydrophobicContact CE1-CG 4.48Å; F385-K397 HydrophobicContact CE2-CB 4.49Å; F385-K397 HydrophobicContact CG-CB 4.36Å; F385-K397 HydrophobicContact CZ-CB 4.13Å; F385-L400 HydrophobicContact CB-CB 4.11Å; F385-L400 HydrophobicContact CB-CD2 3.82Å
386	E	75.9	Confident	73.3	Confident	115 Å²	115	76.5 Å²	76.5	54%	0.537	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	142.7	179.4	-168	172.9	173.9	0	0	112.5	G391 A393 L400	E386-G391 WeakPolarHBondContact OE1-CA 3.1Å; E386-A393 HydrophobicContact CB-CB 4.49Å; E386-L400 WeakPolarHBondContact O-CD2 3.36Å
387	C	81.9	Confident	73.6	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.007	43%	0.427	C	S	.	.			trans	-86.3	112.4	171.5	-177.4	0	0	0	0	110	E389 C390 G391 K392 F394 L400 H407	C387-E389 PolarHBondContact O-N 2.99Å; C387-E389 VanDerWaalsContact O-N 3.09Å; C387-C390 PolarHBondContact O-N 3.04Å; C387-G391 WeakPolarHBondContact O-CA 3.27Å; C387-G391 PolarHBondContact O-N 3.24Å; C387-K392 WeakPolarHBondContact CB-O 3.45Å; C387-K392 PolarHBondContact N-O 2.99Å; C387-F394 HydrophobicContact CB-CE2 4.43Å; C387-L400 HydrophobicContact CB-CD1 3.57Å; C387-H407 PolarHBondContact SG-NE2 2.61Å; C387-H407 VanDerWaalsContact SG-NE2 3.38Å
388	N	74.4	Confident	73.5	Confident	161 Å²	161	81 Å²	81	86%	0.861	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-21	179.9	-61.6	-12.4	0	0	0	113.9
389	E	73	Confident	74.1	Confident	133 Å²	133	78.6 Å²	78.6	62%	0.621	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-25.6	-177.4	-67.4	175.7	173.3	0	0	113.9	C387 H407	C387-E389 PolarHBondContact O-N 2.99Å; C387-E389 VanDerWaalsContact O-N 3.09Å; E389-H407 WeakPolarHBondContact OE2-CB 3.31Å; E389-H407 IonicContact OE2-CD2 2.67Å; E389-H407 PolarHBondContact OE2-CD2 3.01Å; E389-H407 IonicContact OE2-CG 3.86Å
390	C	72.8	Confident	74.8	Confident	52 Å²	52	76.2 Å²	76.2	35%	0.351	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	11.2	-177.2	80.1	0	0	0	0	114.8	C387 K392 H403 H407	C387-C390 PolarHBondContact O-N 3.04Å; C390-K392 PolarHBondContact O-N 3.02Å; C390-K392 VanDerWaalsContact SG-CG 3.59Å; C390-H403 PolarHBondContact SG-NE2 3.19Å; C390-H407 PolarHBondContact SG-NE2 3.41Å; C390-H407 VanDerWaalsContact SG-NE2 3.4Å
391	G	72.3	Confident	75.4	Confident	43 Å²	43	75.3 Å²	75.3	44%	0.443	42%	0.415	S	S	.	.			trans	63.3	10	178.7	0	0	0	0	0	115.1	E386 C387 A393	E386-G391 WeakPolarHBondContact OE1-CA 3.1Å; C387-G391 WeakPolarHBondContact O-CA 3.27Å; C387-G391 PolarHBondContact O-N 3.24Å; G391-A393 PolarHBondContact O-N 2.83Å
392	K	74.5	Confident	75.9	Confident	125 Å²	125	75.4 Å²	75.4	54%	0.543	40%	0.404	S	S	.	.			trans	-78.6	123.2	-179.1	-76.9	-179.7	-177	171.5	0	110	C387 C390 F394	C387-K392 WeakPolarHBondContact CB-O 3.45Å; C387-K392 PolarHBondContact N-O 2.99Å; C390-K392 PolarHBondContact O-N 3.02Å; C390-K392 VanDerWaalsContact SG-CG 3.59Å; K392-F394 HydrophobicContact CB-CE2 3.82Å; K392-F394 HydrophobicContact CB-CZ 3.98Å; K392-F394 WeakPolarHBondContact O-CD2 3.27Å; K392-F394 WeakPolarHBondContact O-CE2 3.48Å
393	A	78.5	Confident	76.4	Confident	32 Å²	32	71.1 Å²	71.1	26%	0.264	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.8	-179.8	0	0	0	0	0	112.6	K383 F385 E386 G391	K383-A393 HydrophobicContact CB-CB 3.47Å; K383-A393 VanDerWaalsContact CB-CB 3.47Å; K383-A393 HydrophobicContact CD-CB 4.18Å; K383-A393 VanDerWaalsContact CD-O 3.23Å; K383-A393 WeakPolarHBondContact CD-O 3.48Å; K383-A393 HydrophobicContact CG-CB 4.4Å; F385-A393 CarbonylContact O-C 3.54Å; F385-A393 WeakPolarHBondContact O-CA 3.44Å; E386-A393 HydrophobicContact CB-CB 4.49Å; G391-A393 PolarHBondContact O-N 2.83Å
394	F	80.2	Confident	76.4	Confident	44 Å²	44	68.8 Å²	68.8	19%	0.193	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.1	-176.8	-59.6	-89.3	0	0	0	111.7	K383 F385 C387 K392 H396 A399 L400 H403	K383-F394 CarbonylContact C-O 3.52Å; K383-F394 VanDerWaalsContact CA-O 3.27Å; K383-F394 WeakPolarHBondContact CA-O 3.22Å; F385-F394 HydrophobicContact CB-CB 4.48Å; F385-F394 WeakPolarHBondContact CB-O 3.48Å; F385-F394 PolarHBondContact N-O 2.85Å; F385-F394 VanDerWaalsContact N-O 3.09Å; F385-F394 PolarHBondContact O-N 3.07Å; C387-F394 HydrophobicContact CB-CE2 4.43Å; K392-F394 HydrophobicContact CB-CE2 3.82Å; K392-F394 HydrophobicContact CB-CZ 3.98Å; K392-F394 WeakPolarHBondContact O-CD2 3.27Å; K392-F394 WeakPolarHBondContact O-CE2 3.48Å; F394-H396 VanDerWaalsContact C-N 3.31Å; F394-A399 HydrophobicContact CB-CB 4.19Å; F394-A399 HydrophobicContact CD1-CB 4Å; F394-A399 HydrophobicContact CG-CB 4.36Å; F394-L400 HydrophobicContact CB-CB 4.25Å; F394-L400 HydrophobicContact CD2-CB 3.89Å; F394-L400 HydrophobicContact CD2-CD1 3.7Å; F394-L400 HydrophobicContact CD2-CG 4.4Å; F394-L400 HydrophobicContact CE2-CD1 3.93Å; F394-L400 HydrophobicContact CG-CB 4.25Å; F394-H403 HydrophobicContact CE1-CB 3.86Å; F394-H403 HydrophobicContact CE2-CB 3.75Å; F394-H403 AromaticContact CE2-CD2 3.24Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.39Å; F394-H403 AromaticContact CE2-CG 3.55Å; F394-H403 HydrophobicContact CZ-CB 3.32Å; F394-H403 AromaticContact CZ-CD2 3.32Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.49Å; F394-H403 AromaticContact CZ-CG 3.15Å; F394-H403 AromaticContact CZ-ND1 3.8Å; F394-H403 AromaticContact CZ-NE2 3.99Å
395	S	74.6	Confident	76.5	Confident	37 Å²	37	68.4 Å²	68.4	26%	0.259	36%	0.364	S	S	.	.	S	Bend	trans	-75.1	-20	178.6	55.6	0	0	0	0	113.6	R377	R377-S395 PolarHBondContact NH1-O 2.97Å
396	H	77.3	Confident	76.2	Confident	73 Å²	73	68.7 Å²	68.7	34%	0.338	37%	0.371	S	S	.	.	S	Bend	trans	-136.6	142.3	-177.7	-53.6	-57.9	0	0	0	112	F385 F394 S398 A399 L400	F385-H396 VanDerWaalsContact CD2-C 3.42Å; F394-H396 VanDerWaalsContact C-N 3.31Å; H396-S398 VanDerWaalsContact C-N 3.3Å; H396-S398 PolarHBondContact O-N 3.09Å; H396-A399 HydrophobicContact CB-CB 4.45Å; H396-A399 WeakPolarHBondContact O-CB 3.42Å; H396-A399 PolarHBondContact O-N 2.81Å; H396-A399 VanDerWaalsContact O-N 3.12Å; H396-L400 PolarHBondContact O-N 3.27Å; H396-L400 VanDerWaalsContact O-N 3.17Å
397	K	75.3	Confident	76	Confident	146 Å²	146	66.9 Å²	66.9	64%	0.635	36%	0.362	S	S	*	.	H	α-helix	trans	-58.3	-38.4	175.9	-171.2	173.5	-178.6	175.4	0	112.8	F385 A399 L400 T401	F385-K397 HydrophobicContact CD1-CB 4Å; F385-K397 HydrophobicContact CD1-CG 4.45Å; F385-K397 HydrophobicContact CE1-CB 3.88Å; F385-K397 HydrophobicContact CE1-CG 4.48Å; F385-K397 HydrophobicContact CE2-CB 4.49Å; F385-K397 HydrophobicContact CG-CB 4.36Å; F385-K397 HydrophobicContact CZ-CB 4.13Å; K397-A399 VanDerWaalsContact C-N 3.3Å; K397-A399 PolarHBondContact O-N 3.12Å; K397-L400 PolarHBondContact O-N 3.31Å; K397-T401 PolarHBondContact O-N 2.8Å; K397-T401 PolarHBondContact O-OG1 3.08Å; K397-T401 VanDerWaalsContact O-OG1 3.06Å
398	S	75.5	Confident	75.5	Confident	92 Å²	92	70.7 Å²	70.7	64%	0.643	39%	0.386	S	S	*	.	H	α-helix	trans	-62.8	-34.7	176.8	52.7	0	0	0	0	113.2	H396 L402	H396-S398 VanDerWaalsContact C-N 3.3Å; H396-S398 PolarHBondContact O-N 3.09Å; S398-L402 WeakPolarHBondContact O-CB 3.37Å; S398-L402 PolarHBondContact O-N 3.03Å
399	A	75.8	Confident	75.3	Confident	31 Å²	31	65.2 Å²	65.2	26%	0.256	37%	0.367	S	S	.	.	H	α-helix	trans	-72.2	-38.8	175.8	0	0	0	0	0	111.5	F394 H396 K397 L402 H403	F394-A399 HydrophobicContact CB-CB 4.19Å; F394-A399 HydrophobicContact CD1-CB 4Å; F394-A399 HydrophobicContact CG-CB 4.36Å; H396-A399 HydrophobicContact CB-CB 4.45Å; H396-A399 WeakPolarHBondContact O-CB 3.42Å; H396-A399 PolarHBondContact O-N 2.81Å; H396-A399 VanDerWaalsContact O-N 3.12Å; K397-A399 VanDerWaalsContact C-N 3.3Å; K397-A399 PolarHBondContact O-N 3.12Å; A399-L402 PolarHBondContact O-N 2.93Å; A399-H403 WeakPolarHBondContact O-CB 3.42Å; A399-H403 PolarHBondContact O-N 3.39Å
400	L	81	Confident	75.2	Confident	18 Å²	18	64.7 Å²	64.7	9%	0.094	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-46.9	170.9	174.6	62.4	0	0	0	111.4	F385 E386 C387 F394 H396 K397 L402 H403 Q404	F385-L400 HydrophobicContact CB-CB 4.11Å; F385-L400 HydrophobicContact CB-CD2 3.82Å; E386-L400 WeakPolarHBondContact O-CD2 3.36Å; C387-L400 HydrophobicContact CB-CD1 3.57Å; F394-L400 HydrophobicContact CB-CB 4.25Å; F394-L400 HydrophobicContact CD2-CB 3.89Å; F394-L400 HydrophobicContact CD2-CD1 3.7Å; F394-L400 HydrophobicContact CD2-CG 4.4Å; F394-L400 HydrophobicContact CE2-CD1 3.93Å; F394-L400 HydrophobicContact CG-CB 4.25Å; H396-L400 PolarHBondContact O-N 3.27Å; H396-L400 VanDerWaalsContact O-N 3.17Å; K397-L400 PolarHBondContact O-N 3.31Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.22Å; L400-H403 CarbonylContact O-C 3.56Å; L400-H403 WeakPolarHBondContact O-CA 3.49Å; L400-H403 WeakPolarHBondContact O-CB 3.49Å; L400-H403 PolarHBondContact O-N 3.41Å; L400-Q404 HydrophobicContact CD1-CG 4.22Å; L400-Q404 HydrophobicContact CG-CG 4.47Å; L400-Q404 WeakPolarHBondContact O-CG 3.38Å; L400-Q404 PolarHBondContact O-N 3.16Å
401	T	76.8	Confident	75.4	Confident	59 Å²	59	66.3 Å²	66.3	36%	0.362	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-38.5	177.8	-57.9	0	0	0	0	112.4	K397	K397-T401 PolarHBondContact O-N 2.8Å; K397-T401 PolarHBondContact O-OG1 3.08Å; K397-T401 VanDerWaalsContact O-OG1 3.06Å
402	L	76.4	Confident	75.7	Confident	50 Å²	50	67.7 Å²	67.7	26%	0.262	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-42.6	172.4	178.1	74.8	0	0	0	111.6	S398 A399 L400 R405 Q424	S398-L402 WeakPolarHBondContact O-CB 3.37Å; S398-L402 PolarHBondContact O-N 3.03Å; A399-L402 PolarHBondContact O-N 2.93Å; L400-L402 VanDerWaalsContact C-N 3.31Å; L400-L402 PolarHBondContact O-N 3.22Å; L402-R405 WeakPolarHBondContact O-CB 3.49Å; L402-R405 PolarHBondContact O-N 3.44Å; L402-Q424 HydrophobicContact CD1-CG 3.5Å; L402-Q424 HydrophobicContact CD2-CG 4.41Å
403	H	78.8	Confident	75.9	Confident	21 Å²	21	65.6 Å²	65.6	10%	0.097	36%	0.357	C	S	.	.	H	α-helix	trans	-65.8	-37.9	179	171.4	60.1	0	0	0	112.4	C390 F394 A399 L400 R405 T406 H407	C390-H403 PolarHBondContact SG-NE2 3.19Å; F394-H403 HydrophobicContact CE1-CB 3.86Å; F394-H403 HydrophobicContact CE2-CB 3.75Å; F394-H403 AromaticContact CE2-CD2 3.24Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.39Å; F394-H403 AromaticContact CE2-CG 3.55Å; F394-H403 HydrophobicContact CZ-CB 3.32Å; F394-H403 AromaticContact CZ-CD2 3.32Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.49Å; F394-H403 AromaticContact CZ-CG 3.15Å; F394-H403 AromaticContact CZ-ND1 3.8Å; F394-H403 AromaticContact CZ-NE2 3.99Å; A399-H403 WeakPolarHBondContact O-CB 3.42Å; A399-H403 PolarHBondContact O-N 3.39Å; L400-H403 CarbonylContact O-C 3.56Å; L400-H403 WeakPolarHBondContact O-CA 3.49Å; L400-H403 WeakPolarHBondContact O-CB 3.49Å; L400-H403 PolarHBondContact O-N 3.41Å; H403-R405 PolarHBondContact O-N 2.9Å; H403-R405 VanDerWaalsContact O-N 3.17Å; H403-T406 PolarHBondContact ND1-OG1 3.37Å; H403-T406 WeakPolarHBondContact O-CA 3.5Å; H403-T406 VanDerWaalsContact O-CB 3.3Å; H403-T406 WeakPolarHBondContact O-CB 3.35Å; H403-T406 PolarHBondContact O-N 3.42Å; H403-T406 PolarHBondContact O-OG1 3.47Å; H403-H407 AromaticContact CD2-NE2 3.98Å; H403-H407 AromaticContact CE1-CE1 3.97Å; H403-H407 AromaticContact CE1-NE2 3.59Å; H403-H407 AromaticContact NE2-CE1 3.92Å; H403-H407 AromaticContact NE2-NE2 3.19Å; H403-H407 PolarHBondContact NE2-NE2 3.09Å; H403-H407 VanDerWaalsContact NE2-NE2 3.19Å
404	Q	75.6	Confident	75.9	Confident	78 Å²	78	69.4 Å²	69.4	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-57.7	-30.1	175.1	-74.6	172	-41.7	0	0	112.4	L400 T406 H407 T408	L400-Q404 HydrophobicContact CD1-CG 4.22Å; L400-Q404 HydrophobicContact CG-CG 4.47Å; L400-Q404 WeakPolarHBondContact O-CG 3.38Å; L400-Q404 PolarHBondContact O-N 3.16Å; Q404-T406 PolarHBondContact O-N 3.26Å; Q404-T406 VanDerWaalsContact O-N 3.17Å; Q404-H407 PolarHBondContact O-N 3.22Å; Q404-T408 PolarHBondContact O-N 3Å
405	R	78.7	Confident	76	Confident	64 Å²	64	67.4 Å²	67.4	24%	0.242	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-19.2	172.7	-60.9	178.2	-179	173.4	-1.4	113.9	L402 H403 H407 T408 G409 E410 Y423	L402-R405 WeakPolarHBondContact O-CB 3.49Å; L402-R405 PolarHBondContact O-N 3.44Å; H403-R405 PolarHBondContact O-N 2.9Å; H403-R405 VanDerWaalsContact O-N 3.17Å; R405-H407 VanDerWaalsContact C-N 3.33Å; R405-T408 WeakPolarHBondContact CA-OG1 3.46Å; R405-G409 WeakPolarHBondContact O-CA 3.37Å; R405-G409 PolarHBondContact O-N 3.49Å; R405-E410 PolarHBondContact O-N 3.14Å; R405-Y423 HydrophobicContact CB-CD1 3.84Å; R405-Y423 HydrophobicContact CB-CE1 4.28Å; R405-Y423 PolarHBondContact NH1-O 3.49Å; R405-Y423 WeakPolarHBondContact O-CE1 3.49Å
406	T	71.3	Confident	76.1	Confident	68 Å²	68	72.8 Å²	72.8	42%	0.417	39%	0.386	S	S	.	.	H	α-helix	trans	-76	-23.3	175.2	68	0	0	0	0	112.7	H403 Q404	H403-T406 PolarHBondContact ND1-OG1 3.37Å; H403-T406 WeakPolarHBondContact O-CA 3.5Å; H403-T406 VanDerWaalsContact O-CB 3.3Å; H403-T406 WeakPolarHBondContact O-CB 3.35Å; H403-T406 PolarHBondContact O-N 3.42Å; H403-T406 PolarHBondContact O-OG1 3.47Å; Q404-T406 PolarHBondContact O-N 3.26Å; Q404-T406 VanDerWaalsContact O-N 3.17Å
407	H	72.1	Confident	75.8	Confident	76 Å²	76	73 Å²	73	35%	0.352	40%	0.4	S	S	.	.	H	α-helix	trans	-87	-40.3	174.7	-58.3	-51.8	0	0	0	111.5	C387 E389 C390 H403 Q404 R405 G409	C387-H407 PolarHBondContact SG-NE2 2.61Å; C387-H407 VanDerWaalsContact SG-NE2 3.38Å; E389-H407 WeakPolarHBondContact OE2-CB 3.31Å; E389-H407 IonicContact OE2-CD2 2.67Å; E389-H407 PolarHBondContact OE2-CD2 3.01Å; E389-H407 IonicContact OE2-CG 3.86Å; C390-H407 PolarHBondContact SG-NE2 3.41Å; C390-H407 VanDerWaalsContact SG-NE2 3.4Å; H403-H407 AromaticContact CD2-NE2 3.98Å; H403-H407 AromaticContact CE1-CE1 3.97Å; H403-H407 AromaticContact CE1-NE2 3.59Å; H403-H407 AromaticContact NE2-CE1 3.92Å; H403-H407 AromaticContact NE2-NE2 3.19Å; H403-H407 PolarHBondContact NE2-NE2 3.09Å; H403-H407 VanDerWaalsContact NE2-NE2 3.19Å; Q404-H407 PolarHBondContact O-N 3.22Å; R405-H407 VanDerWaalsContact C-N 3.33Å; H407-G409 VanDerWaalsContact C-N 3.29Å; H407-G409 PolarHBondContact O-N 2.85Å
408	T	70.7	Confident	75.8	Confident	82 Å²	82	68.1 Å²	68.1	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-77.6	-13	177.4	65.1	0	0	0	0	113.7	Q404 R405 E410	Q404-T408 PolarHBondContact O-N 3Å; R405-T408 WeakPolarHBondContact CA-OG1 3.46Å; T408-E410 PolarHBondContact O-N 3.36Å; T408-E410 VanDerWaalsContact O-N 3.13Å
409	G	69.9	Low	75.7	Confident	46 Å²	46	65.6 Å²	65.6	47%	0.474	37%	0.372	S	S	.	.			trans	69.2	2.1	-176.7	0	0	0	0	0	114.5	R405 H407 K411	R405-G409 WeakPolarHBondContact O-CA 3.37Å; R405-G409 PolarHBondContact O-N 3.49Å; H407-G409 VanDerWaalsContact C-N 3.29Å; H407-G409 PolarHBondContact O-N 2.85Å; G409-K411 PolarHBondContact O-N 2.79Å
410	E	70.4	Confident	75.6	Confident	121 Å²	121	70.1 Å²	70.1	57%	0.565	39%	0.386	S	S	*	.			trans	-66.3	117	-178.5	-70.6	-175.3	171	0	0	111	R405 T408 P412 Y423	R405-E410 PolarHBondContact O-N 3.14Å; T408-E410 PolarHBondContact O-N 3.36Å; T408-E410 VanDerWaalsContact O-N 3.13Å; E410-P412 WeakPolarHBondContact O-CD 3.34Å; E410-Y423 VanDerWaalsContact O-CD1 3.28Å; E410-Y423 WeakPolarHBondContact O-CD1 3.37Å
411	K	77.9	Confident	75.3	Confident	86 Å²	86	71.9 Å²	71.9	37%	0.374	40%	0.398	S	S	.	.			trans	-119.3	82.1	174.7	-69.8	172	177.1	178.3	0	109.6	G409 Y413 T421 F422 Y423	G409-K411 PolarHBondContact O-N 2.79Å; K411-Y413 PolarHBondContact O-N 3.24Å; K411-Y413 VanDerWaalsContact O-N 3.07Å; K411-T421 VanDerWaalsContact CB-CB 3.44Å; K411-T421 WeakPolarHBondContact CB-OG1 3.34Å; K411-T421 WeakPolarHBondContact CD-OG1 3.49Å; K411-F422 CarbonylContact C-O 3.55Å; K411-F422 WeakPolarHBondContact CA-O 3.46Å; K411-Y423 HydrophobicContact CD-CE1 4.27Å; K411-Y423 WeakPolarHBondContact CE-OH 3.43Å; K411-Y423 HydrophobicContact CG-CD1 3.67Å; K411-Y423 HydrophobicContact CG-CD2 4.48Å; K411-Y423 HydrophobicContact CG-CE1 3.4Å; K411-Y423 HydrophobicContact CG-CE2 4.28Å; K411-Y423 HydrophobicContact CG-CG 4.22Å
412	P	78	Confident	75.5	Confident	73 Å²	73	71 Å²	71	47%	0.474	39%	0.389	S	S	.	.			trans	-66.9	-14.9	-167.3	-22.1	34.5	0	0	0	114.7	E410	E410-P412 WeakPolarHBondContact O-CD 3.34Å
413	Y	78.3	Confident	75.5	Confident	81 Å²	81	72 Å²	72	32%	0.318	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	96.8	-173	-56.4	-74.2	0	0	0	110.1	K411 T421 F422 Y423 K425	K411-Y413 PolarHBondContact O-N 3.24Å; K411-Y413 VanDerWaalsContact O-N 3.07Å; Y413-T421 CarbonylContact O-C 3.52Å; Y413-T421 WeakPolarHBondContact O-CA 3.12Å; Y413-F422 PolarHBondContact N-O 2.84Å; Y413-F422 PolarHBondContact O-N 2.8Å; Y413-Y423 WeakPolarHBondContact CE2-O 3.35Å; Y413-K425 HydrophobicContact CD1-CB 3.92Å; Y413-K425 HydrophobicContact CD1-CG 4.38Å; Y413-K425 HydrophobicContact CE1-CB 3.79Å; Y413-K425 HydrophobicContact CE1-CG 4.41Å; Y413-K425 HydrophobicContact CG-CB 4.35Å
414	Q	78.8	Confident	75.5	Confident	112 Å²	112	74.3 Å²	74.3	52%	0.523	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.1	178.8	-173.7	172.7	-9.9	0	0	111.9	T421	Q414-T421 HydrophobicContact CB-CG2 3.95Å; Q414-T421 HydrophobicContact CG-CG2 3.91Å
415	C	83.7	Confident	75.5	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.014	41%	0.413	C	S	.	.			trans	-83	118	169	-174.8	0	0	0	0	110.2	A417 G419 K420 F422 L428 H435	C415-A417 PolarHBondContact O-N 2.93Å; C415-G419 VanDerWaalsContact O-CA 3.25Å; C415-G419 WeakPolarHBondContact O-CA 3.33Å; C415-G419 PolarHBondContact O-N 3.34Å; C415-K420 WeakPolarHBondContact CB-O 3.39Å; C415-K420 PolarHBondContact N-O 3.09Å; C415-F422 HydrophobicContact CB-CE2 4.29Å; C415-L428 HydrophobicContact CB-CD1 3.56Å; C415-H435 VanDerWaalsContact SG-CD2 3.58Å
416	N	76.8	Confident	75.4	Confident	150 Å²	150	76.8 Å²	76.8	80%	0.802	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.6	179.5	-62.9	-11.8	0	0	0	113.1
417	A	71.3	Confident	75.8	Confident	76 Å²	76	76.2 Å²	76.2	63%	0.628	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-33.6	-176.5	0	0	0	0	0	114.2	C415 H435	C415-A417 PolarHBondContact O-N 2.93Å; A417-H435 HydrophobicContact CB-CB 4.44Å
418	C	73.4	Confident	76.2	Confident	45 Å²	45	73.4 Å²	73.4	30%	0.304	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	8.1	-175.8	78.4	0	0	0	0	114.5	K420 H431 H435	C418-K420 PolarHBondContact O-N 3.44Å; C418-K420 VanDerWaalsContact SG-CG 3.57Å; C418-H431 PolarHBondContact SG-NE2 3.22Å; C418-H435 PolarHBondContact SG-NE2 2.83Å
419	G	74.3	Confident	76.6	Confident	38 Å²	38	72.3 Å²	72.3	39%	0.392	39%	0.393	S	S	.	.			trans	68.2	0	178.2	0	0	0	0	0	115.9	C415	C415-G419 VanDerWaalsContact O-CA 3.25Å; C415-G419 WeakPolarHBondContact O-CA 3.33Å; C415-G419 PolarHBondContact O-N 3.34Å
420	K	73.7	Confident	77	Confident	127 Å²	127	74.1 Å²	74.1	55%	0.552	39%	0.388	S	S	*	.			trans	-69.6	135.2	-179.2	-73.7	179.8	-177.4	176.7	0	110.7	C415 C418 F422	C415-K420 WeakPolarHBondContact CB-O 3.39Å; C415-K420 PolarHBondContact N-O 3.09Å; C418-K420 PolarHBondContact O-N 3.44Å; C418-K420 VanDerWaalsContact SG-CG 3.57Å; K420-F422 HydrophobicContact CB-CE2 3.93Å; K420-F422 HydrophobicContact CB-CZ 4.07Å; K420-F422 WeakPolarHBondContact O-CE2 3.26Å
421	T	75.6	Confident	77.4	Confident	54 Å²	54	69.7 Å²	69.7	33%	0.331	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144	-177.4	57.3	0	0	0	0	111.6	K411 Y413 Q414	K411-T421 VanDerWaalsContact CB-CB 3.44Å; K411-T421 WeakPolarHBondContact CB-OG1 3.34Å; K411-T421 WeakPolarHBondContact CD-OG1 3.49Å; Y413-T421 CarbonylContact O-C 3.52Å; Y413-T421 WeakPolarHBondContact O-CA 3.12Å; Q414-T421 HydrophobicContact CB-CG2 3.95Å; Q414-T421 HydrophobicContact CG-CG2 3.91Å
422	F	80.9	Confident	77.3	Confident	41 Å²	41	69.1 Å²	69.1	18%	0.18	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.9	-174.7	-60	-89.9	0	0	0	111.2	K411 Y413 C415 K420 D427 L428 H431	K411-F422 CarbonylContact C-O 3.55Å; K411-F422 WeakPolarHBondContact CA-O 3.46Å; Y413-F422 PolarHBondContact N-O 2.84Å; Y413-F422 PolarHBondContact O-N 2.8Å; C415-F422 HydrophobicContact CB-CE2 4.29Å; K420-F422 HydrophobicContact CB-CE2 3.93Å; K420-F422 HydrophobicContact CB-CZ 4.07Å; K420-F422 WeakPolarHBondContact O-CE2 3.26Å; F422-D427 HydrophobicContact CB-CB 4.38Å; F422-D427 HydrophobicContact CD1-CB 4.02Å; F422-D427 HydrophobicContact CG-CB 4.48Å; F422-L428 HydrophobicContact CB-CB 4.29Å; F422-L428 HydrophobicContact CD2-CB 3.9Å; F422-L428 HydrophobicContact CD2-CD1 3.76Å; F422-L428 HydrophobicContact CD2-CG 4.44Å; F422-L428 HydrophobicContact CE2-CD1 3.94Å; F422-L428 HydrophobicContact CG-CB 4.23Å; F422-H431 HydrophobicContact CE1-CB 3.82Å; F422-H431 HydrophobicContact CE2-CB 3.91Å; F422-H431 AromaticContact CE2-CD2 3.29Å; F422-H431 WeakPolarHBondContact CE2-CD2 3.29Å; F422-H431 AromaticContact CE2-CG 3.69Å; F422-H431 HydrophobicContact CZ-CB 3.38Å; F422-H431 AromaticContact CZ-CD2 3.24Å; F422-H431 WeakPolarHBondContact CZ-CD2 3.49Å; F422-H431 AromaticContact CZ-CG 3.17Å; F422-H431 AromaticContact CZ-ND1 3.85Å; F422-H431 AromaticContact CZ-NE2 3.92Å
423	Y	76	Confident	77.5	Confident	70 Å²	70	68.4 Å²	68.4	28%	0.275	35%	0.354	S	S	.	.	S	Bend	trans	-78.7	-24.7	178.1	-61	-72.2	0	0	0	113.2	R405 E410 K411 Y413	R405-Y423 HydrophobicContact CB-CD1 3.84Å; R405-Y423 HydrophobicContact CB-CE1 4.28Å; R405-Y423 PolarHBondContact NH1-O 3.49Å; R405-Y423 WeakPolarHBondContact O-CE1 3.49Å; E410-Y423 VanDerWaalsContact O-CD1 3.28Å; E410-Y423 WeakPolarHBondContact O-CD1 3.37Å; K411-Y423 HydrophobicContact CD-CE1 4.27Å; K411-Y423 WeakPolarHBondContact CE-OH 3.43Å; K411-Y423 HydrophobicContact CG-CD1 3.67Å; K411-Y423 HydrophobicContact CG-CD2 4.48Å; K411-Y423 HydrophobicContact CG-CE1 3.4Å; K411-Y423 HydrophobicContact CG-CE2 4.28Å; K411-Y423 HydrophobicContact CG-CG 4.22Å; Y413-Y423 WeakPolarHBondContact CE2-O 3.35Å
424	Q	78.9	Confident	77.2	Confident	71 Å²	71	68.6 Å²	68.6	33%	0.332	36%	0.364	S	S	.	.	S	Bend	trans	-127.3	148.4	178.3	-57.8	-170.2	0.4	0	0	112.2	L402 S426 D427 L428	L402-Q424 HydrophobicContact CD1-CG 3.5Å; L402-Q424 HydrophobicContact CD2-CG 4.41Å; Q424-S426 VanDerWaalsContact C-N 3.33Å; Q424-S426 WeakPolarHBondContact CB-OG 3.41Å; Q424-S426 PolarHBondContact O-N 2.89Å; Q424-S426 PolarHBondContact OE1-OG 3.02Å; Q424-D427 PolarHBondContact O-N 3.44Å; Q424-L428 PolarHBondContact O-N 2.96Å
425	K	75.9	Confident	76.8	Confident	143 Å²	143	67.3 Å²	67.3	62%	0.622	36%	0.358	S	S	*	.	H	α-helix	trans	-63	-38	173	-171.2	177.9	179.2	-179	0	112.2	Y413 D427 L428 T429	Y413-K425 HydrophobicContact CD1-CB 3.92Å; Y413-K425 HydrophobicContact CD1-CG 4.38Å; Y413-K425 HydrophobicContact CE1-CB 3.79Å; Y413-K425 HydrophobicContact CE1-CG 4.41Å; Y413-K425 HydrophobicContact CG-CB 4.35Å; K425-D427 VanDerWaalsContact C-N 3.29Å; K425-D427 PolarHBondContact O-N 3.14Å; K425-L428 WeakPolarHBondContact O-CB 3.27Å; K425-L428 PolarHBondContact O-N 2.92Å; K425-T429 PolarHBondContact O-N 3.11Å; K425-T429 PolarHBondContact O-OG1 3.49Å; K425-T429 VanDerWaalsContact O-OG1 3.08Å
426	S	76.1	Confident	76.2	Confident	51 Å²	51	71.4 Å²	71.4	36%	0.357	38%	0.382	S	S	.	.	H	α-helix	trans	-57.8	-40	176.4	49.9	0	0	0	0	112.3	Q424 T429 K430	Q424-S426 VanDerWaalsContact C-N 3.33Å; Q424-S426 WeakPolarHBondContact CB-OG 3.41Å; Q424-S426 PolarHBondContact O-N 2.89Å; Q424-S426 PolarHBondContact OE1-OG 3.02Å; S426-T429 PolarHBondContact O-N 3.39Å; S426-K430 VanDerWaalsContact O-CG 3.27Å; S426-K430 WeakPolarHBondContact O-CG 3.37Å; S426-K430 PolarHBondContact O-N 2.96Å
427	D	78.4	Confident	75.9	Confident	56 Å²	56	66.6 Å²	66.6	30%	0.299	37%	0.368	S	S	.	.	H	α-helix	trans	-74.7	-36	179.3	-62.1	-33	0	0	0	111.8	F422 Q424 K425 K430 H431	F422-D427 HydrophobicContact CB-CB 4.38Å; F422-D427 HydrophobicContact CD1-CB 4.02Å; F422-D427 HydrophobicContact CG-CB 4.48Å; Q424-D427 PolarHBondContact O-N 3.44Å; K425-D427 VanDerWaalsContact C-N 3.29Å; K425-D427 PolarHBondContact O-N 3.14Å; D427-K430 PolarHBondContact O-N 3.14Å; D427-K430 IonicContact OD1-NZ 2.89Å; D427-K430 PolarHBondContact OD1-NZ 3.1Å; D427-K430 VanDerWaalsContact OD1-NZ 3.16Å; D427-H431 VanDerWaalsContact O-CB 3.29Å; D427-H431 WeakPolarHBondContact O-CB 3.34Å; D427-H431 PolarHBondContact O-N 3.33Å
428	L	81.3	Confident	75.9	Confident	17 Å²	17	68.5 Å²	68.5	9%	0.089	36%	0.364	C	S	.	.	H	α-helix	trans	-60.6	-46.5	168.3	173.2	62.2	0	0	0	111.3	C415 F422 Q424 K425 K430 H431 Q432	C415-L428 HydrophobicContact CB-CD1 3.56Å; F422-L428 HydrophobicContact CB-CB 4.29Å; F422-L428 HydrophobicContact CD2-CB 3.9Å; F422-L428 HydrophobicContact CD2-CD1 3.76Å; F422-L428 HydrophobicContact CD2-CG 4.44Å; F422-L428 HydrophobicContact CE2-CD1 3.94Å; F422-L428 HydrophobicContact CG-CB 4.23Å; Q424-L428 PolarHBondContact O-N 2.96Å; K425-L428 WeakPolarHBondContact O-CB 3.27Å; K425-L428 PolarHBondContact O-N 2.92Å; L428-K430 PolarHBondContact O-N 2.84Å; L428-H431 CarbonylContact O-C 3.58Å; L428-H431 WeakPolarHBondContact O-CB 3.41Å; L428-H431 PolarHBondContact O-N 3Å; L428-H431 VanDerWaalsContact O-N 3.16Å; L428-Q432 HydrophobicContact CD1-CG 4.07Å; L428-Q432 HydrophobicContact CG-CG 4.39Å; L428-Q432 WeakPolarHBondContact O-CG 2.85Å; L428-Q432 PolarHBondContact O-N 3.45Å
429	T	78.7	Confident	76.1	Confident	58 Å²	58	71.8 Å²	71.8	36%	0.356	37%	0.373	S	S	.	.	H	α-helix	trans	-62.6	-41.6	178.4	-59.1	0	0	0	0	111.9	K425 S426 H431 Q432 R433	K425-T429 PolarHBondContact O-N 3.11Å; K425-T429 PolarHBondContact O-OG1 3.49Å; K425-T429 VanDerWaalsContact O-OG1 3.08Å; S426-T429 PolarHBondContact O-N 3.39Å; T429-H431 VanDerWaalsContact C-N 3.33Å; T429-H431 PolarHBondContact O-N 2.98Å; T429-Q432 PolarHBondContact O-N 2.81Å; T429-R433 PolarHBondContact O-N 3.5Å
430	K	78.3	Confident	76.3	Confident	85 Å²	85	73.6 Å²	73.6	37%	0.37	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-40.9	173	-71.8	169.4	-162.1	161.5	0	111.8	S426 D427 L428 R433 M452	S426-K430 VanDerWaalsContact O-CG 3.27Å; S426-K430 WeakPolarHBondContact O-CG 3.37Å; S426-K430 PolarHBondContact O-N 2.96Å; D427-K430 PolarHBondContact O-N 3.14Å; D427-K430 IonicContact OD1-NZ 2.89Å; D427-K430 PolarHBondContact OD1-NZ 3.1Å; D427-K430 VanDerWaalsContact OD1-NZ 3.16Å; L428-K430 PolarHBondContact O-N 2.84Å; K430-R433 WeakPolarHBondContact O-CB 3.49Å; K430-R433 PolarHBondContact O-N 3.09Å; K430-M452 HydrophobicContact CB-CE 4.2Å
431	H	78.7	Confident	76.6	Confident	27 Å²	27	71.1 Å²	71.1	13%	0.125	37%	0.366	C	S	.	.	H	α-helix	trans	-68	-38.2	177.1	172.4	61.1	0	0	0	112.4	C418 F422 D427 L428 T429 R433 T434 H435	C418-H431 PolarHBondContact SG-NE2 3.22Å; F422-H431 HydrophobicContact CE1-CB 3.82Å; F422-H431 HydrophobicContact CE2-CB 3.91Å; F422-H431 AromaticContact CE2-CD2 3.29Å; F422-H431 WeakPolarHBondContact CE2-CD2 3.29Å; F422-H431 AromaticContact CE2-CG 3.69Å; F422-H431 HydrophobicContact CZ-CB 3.38Å; F422-H431 AromaticContact CZ-CD2 3.24Å; F422-H431 WeakPolarHBondContact CZ-CD2 3.49Å; F422-H431 AromaticContact CZ-CG 3.17Å; F422-H431 AromaticContact CZ-ND1 3.85Å; F422-H431 AromaticContact CZ-NE2 3.92Å; D427-H431 VanDerWaalsContact O-CB 3.29Å; D427-H431 WeakPolarHBondContact O-CB 3.34Å; D427-H431 PolarHBondContact O-N 3.33Å; L428-H431 CarbonylContact O-C 3.58Å; L428-H431 WeakPolarHBondContact O-CB 3.41Å; L428-H431 PolarHBondContact O-N 3Å; L428-H431 VanDerWaalsContact O-N 3.16Å; T429-H431 VanDerWaalsContact C-N 3.33Å; T429-H431 PolarHBondContact O-N 2.98Å; H431-R433 PolarHBondContact O-N 2.77Å; H431-R433 VanDerWaalsContact O-N 3.15Å; H431-T434 WeakPolarHBondContact O-CB 3.5Å; H431-T434 PolarHBondContact O-N 2.97Å; H431-T434 PolarHBondContact O-OG1 3.05Å; H431-H435 AromaticContact CD2-NE2 3.85Å; H431-H435 AromaticContact CE1-NE2 3.39Å; H431-H435 PolarHBondContact CE1-NE2 3.45Å; H431-H435 AromaticContact NE2-CD2 3.85Å; H431-H435 AromaticContact NE2-CE1 3.96Å; H431-H435 AromaticContact NE2-NE2 3.01Å; H431-H435 PolarHBondContact NE2-NE2 3.42Å
432	Q	77.3	Confident	76.7	Confident	74 Å²	74	74.4 Å²	74.4	35%	0.346	38%	0.378	S	S	.	.	H	α-helix	trans	-58.4	-29.8	177.5	-78.1	170.7	-35.2	0	0	112.4	L428 T429 T434 H435 T436	L428-Q432 HydrophobicContact CD1-CG 4.07Å; L428-Q432 HydrophobicContact CG-CG 4.39Å; L428-Q432 WeakPolarHBondContact O-CG 2.85Å; L428-Q432 PolarHBondContact O-N 3.45Å; T429-Q432 PolarHBondContact O-N 2.81Å; Q432-T434 PolarHBondContact O-N 3.33Å; Q432-H435 PolarHBondContact O-N 3.14Å; Q432-T436 PolarHBondContact O-N 2.99Å; Q432-T436 VanDerWaalsContact O-N 3.11Å; Q432-T436 PolarHBondContact O-OG1 3.49Å
433	R	81.1	Confident	76.8	Confident	59 Å²	59	72.5 Å²	72.5	22%	0.223	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-21.9	172.8	-61.2	176.6	-174.4	-179.7	-3.1	113.6	T429 K430 H431 H435 G437 Q438 C451	T429-R433 PolarHBondContact O-N 3.5Å; K430-R433 WeakPolarHBondContact O-CB 3.49Å; K430-R433 PolarHBondContact O-N 3.09Å; H431-R433 PolarHBondContact O-N 2.77Å; H431-R433 VanDerWaalsContact O-N 3.15Å; R433-H435 VanDerWaalsContact C-N 3.33Å; R433-G437 PolarHBondContact O-N 3.49Å; R433-Q438 PolarHBondContact O-N 3.28Å; R433-C451 HydrophobicContact CB-CB 4.26Å; R433-C451 PolarHBondContact NH1-O 3.29Å
434	T	71.2	Confident	76.8	Confident	85 Å²	85	80 Å²	80	52%	0.521	40%	0.399	S	S	.	.	H	α-helix	trans	-75.6	-24.2	175	71.3	0	0	0	0	112.7	H431 Q432	H431-T434 WeakPolarHBondContact O-CB 3.5Å; H431-T434 PolarHBondContact O-N 2.97Å; H431-T434 PolarHBondContact O-OG1 3.05Å; Q432-T434 PolarHBondContact O-N 3.33Å
435	H	72	Confident	76.5	Confident	85 Å²	85	82.4 Å²	82.4	39%	0.394	41%	0.41	S	S	.	.	H	α-helix	trans	-89.1	-39.5	177.2	-60.8	-56.6	0	0	0	111.7	C415 A417 C418 H431 Q432 R433 G437	C415-H435 VanDerWaalsContact SG-CD2 3.58Å; A417-H435 HydrophobicContact CB-CB 4.44Å; C418-H435 PolarHBondContact SG-NE2 2.83Å; H431-H435 AromaticContact CD2-NE2 3.85Å; H431-H435 AromaticContact CE1-NE2 3.39Å; H431-H435 PolarHBondContact CE1-NE2 3.45Å; H431-H435 AromaticContact NE2-CD2 3.85Å; H431-H435 AromaticContact NE2-CE1 3.96Å; H431-H435 AromaticContact NE2-NE2 3.01Å; H431-H435 PolarHBondContact NE2-NE2 3.42Å; Q432-H435 PolarHBondContact O-N 3.14Å; R433-H435 VanDerWaalsContact C-N 3.33Å; H435-G437 VanDerWaalsContact C-N 3.28Å; H435-G437 PolarHBondContact O-N 3.31Å
436	T	70.4	Confident	76.3	Confident	87 Å²	87	78 Å²	78	53%	0.534	40%	0.396	S	S	.	.	H	α-helix	trans	-81.8	-7.2	-179.2	59.6	0	0	0	0	113.5	Q432 Q438	Q432-T436 PolarHBondContact O-N 2.99Å; Q432-T436 VanDerWaalsContact O-N 3.11Å; Q432-T436 PolarHBondContact O-OG1 3.49Å; T436-Q438 PolarHBondContact O-N 2.98Å
437	G	71.4	Confident	76.2	Confident	49 Å²	49	77.5 Å²	77.5	51%	0.505	40%	0.399	S	S	.	.			trans	66.8	3.9	-176.5	0	0	0	0	0	114.5	R433 H435 K439	R433-G437 PolarHBondContact O-N 3.49Å; H435-G437 VanDerWaalsContact C-N 3.28Å; H435-G437 PolarHBondContact O-N 3.31Å; G437-K439 PolarHBondContact O-N 3.16Å; G437-K439 VanDerWaalsContact O-N 3.13Å
438	Q	70.1	Confident	76	Confident	116 Å²	116	80.7 Å²	80.7	54%	0.542	41%	0.41	S	S	.	.			trans	-61.4	118.1	-179.6	-74.4	-174.6	-4.2	0	0	110.3	R433 T436 P440	R433-Q438 PolarHBondContact O-N 3.28Å; T436-Q438 PolarHBondContact O-N 2.98Å; Q438-P440 WeakPolarHBondContact O-CD 3.44Å
439	K	77.3	Confident	75.8	Confident	114 Å²	114	81.6 Å²	81.6	50%	0.496	42%	0.418	S	S	.	.			trans	-121.5	76.6	177.8	-73.5	163.7	165.9	-172.3	0	109.4	G437 Y441 S449 F450	G437-K439 PolarHBondContact O-N 3.16Å; G437-K439 VanDerWaalsContact O-N 3.13Å; K439-Y441 PolarHBondContact O-N 3.28Å; K439-Y441 VanDerWaalsContact O-N 3.08Å; K439-S449 VanDerWaalsContact CB-CB 3.43Å; K439-S449 VanDerWaalsContact CD-O 3.23Å; K439-S449 WeakPolarHBondContact CD-O 3.42Å; K439-S449 WeakPolarHBondContact O-CB 3.27Å; K439-F450 CarbonylContact C-O 3.55Å; K439-F450 VanDerWaalsContact C-O 3.23Å; K439-F450 VanDerWaalsContact CA-O 3.28Å; K439-F450 WeakPolarHBondContact CA-O 3.49Å
440	P	78.9	Confident	75.8	Confident	76 Å²	76	81 Å²	81	49%	0.494	41%	0.411	S	S	.	.			trans	-68.5	-9.7	-170.8	-19.3	33.5	0	0	0	114.7	Q438	Q438-P440 WeakPolarHBondContact O-CD 3.44Å
441	Y	80.4	Confident	75.7	Confident	76 Å²	76	78.3 Å²	78.3	30%	0.298	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	96.7	-172.7	-55.1	-75.7	0	0	0	109.4	K439 S449 F450 N453	K439-Y441 PolarHBondContact O-N 3.28Å; K439-Y441 VanDerWaalsContact O-N 3.08Å; Y441-S449 CarbonylContact O-C 3.57Å; Y441-S449 WeakPolarHBondContact O-CA 3.47Å; Y441-F450 WeakPolarHBondContact CD2-O 3.26Å; Y441-F450 PolarHBondContact N-O 3.32Å; Y441-F450 PolarHBondContact O-N 3.15Å; Y441-N453 HydrophobicContact CD1-CB 3.76Å; Y441-N453 HydrophobicContact CD2-CB 4.42Å; Y441-N453 VanDerWaalsContact CD2-N 3.25Å; Y441-N453 HydrophobicContact CE1-CB 3.68Å; Y441-N453 HydrophobicContact CE2-CB 4.33Å; Y441-N453 HydrophobicContact CG-CB 4.14Å
442	E	78.1	Confident	75.7	Confident	123 Å²	123	79.7 Å²	79.7	58%	0.575	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	139	-179	-172.5	172.8	164.8	0	0	112.5
443	C	82.1	Confident	75.7	Confident	1 Å²	1	80.1 Å²	80.1	1%	0.007	42%	0.415	C	S	.	.			trans	-84.7	110	170.8	-178.2	0	0	0	0	110.1	E445 C446 G447 K448 F450 L456 H463	C443-E445 PolarHBondContact O-N 3.13Å; C443-E445 VanDerWaalsContact O-N 3.15Å; C443-C446 PolarHBondContact O-N 3.32Å; C443-C446 VanDerWaalsContact SG-SG 3.66Å; C443-G447 WeakPolarHBondContact O-CA 3.34Å; C443-G447 PolarHBondContact O-N 3.41Å; C443-K448 WeakPolarHBondContact CB-O 3.29Å; C443-K448 PolarHBondContact N-O 3.19Å; C443-F450 HydrophobicContact CB-CE2 4.47Å; C443-L456 HydrophobicContact CB-CD1 3.54Å; C443-H463 VanDerWaalsContact SG-CD2 3.52Å; C443-H463 PolarHBondContact SG-NE2 3.4Å
444	Y	75.4	Confident	75.5	Confident	228 Å²	228	80.7 Å²	80.7	89%	0.894	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29	179.3	-170.3	-98.7	0	0	0	113.8
445	E	73.8	Confident	75.9	Confident	121 Å²	121	81.1 Å²	81.1	57%	0.565	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.8	-177.3	-65.7	174.5	149.4	0	0	114.4	C443 H463	C443-E445 PolarHBondContact O-N 3.13Å; C443-E445 VanDerWaalsContact O-N 3.15Å; E445-H463 WeakPolarHBondContact OE2-CB 3.37Å; E445-H463 IonicContact OE2-CD2 3.9Å; E445-H463 PolarHBondContact OE2-CD2 3.17Å; E445-H463 IonicContact OE2-CG 3.44Å
446	C	71.8	Confident	76.3	Confident	50 Å²	50	77.7 Å²	77.7	34%	0.338	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	8.7	-177.7	72.5	0	0	0	0	115.3	C443 K448 H459 H463	C443-C446 PolarHBondContact O-N 3.32Å; C443-C446 VanDerWaalsContact SG-SG 3.66Å; C446-K448 PolarHBondContact O-N 3.31Å; C446-H459 PolarHBondContact SG-NE2 2.84Å; C446-H463 VanDerWaalsContact SG-CE1 3.53Å; C446-H463 PolarHBondContact SG-NE2 3.09Å
447	G	73.6	Confident	76.7	Confident	40 Å²	40	76.1 Å²	76.1	41%	0.412	40%	0.398	S	S	.	.			trans	64.8	6.1	-179.4	0	0	0	0	0	114.9	C443 S449	C443-G447 WeakPolarHBondContact O-CA 3.34Å; C443-G447 PolarHBondContact O-N 3.41Å; G447-S449 PolarHBondContact O-N 3.14Å
448	K	73.3	Confident	77.1	Confident	123 Å²	123	75.6 Å²	75.6	54%	0.535	39%	0.385	S	S	.	.			trans	-77.4	121.9	-178.5	-72.6	179.5	-176.8	169.9	0	110.9	C443 C446 F450	C443-K448 WeakPolarHBondContact CB-O 3.29Å; C443-K448 PolarHBondContact N-O 3.19Å; C446-K448 PolarHBondContact O-N 3.31Å; K448-F450 HydrophobicContact CB-CE2 3.94Å; K448-F450 HydrophobicContact CB-CZ 4.15Å; K448-F450 WeakPolarHBondContact O-CD2 3.49Å; K448-F450 VanDerWaalsContact O-CE2 3.23Å; K448-F450 WeakPolarHBondContact O-CE2 3.5Å
449	S	77.9	Confident	77.6	Confident	37 Å²	37	71.2 Å²	71.2	26%	0.259	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.6	179.7	-30.1	0	0	0	0	112.8	K439 Y441 G447	K439-S449 VanDerWaalsContact CB-CB 3.43Å; K439-S449 VanDerWaalsContact CD-O 3.23Å; K439-S449 WeakPolarHBondContact CD-O 3.42Å; K439-S449 WeakPolarHBondContact O-CB 3.27Å; Y441-S449 CarbonylContact O-C 3.57Å; Y441-S449 WeakPolarHBondContact O-CA 3.47Å; G447-S449 PolarHBondContact O-N 3.14Å
450	F	79.1	Confident	77.6	Confident	44 Å²	44	69.6 Å²	69.6	19%	0.193	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.2	-176.8	-60.1	-91.5	0	0	0	111.2	K439 Y441 C443 K448 M452 H455 L456 H459	K439-F450 CarbonylContact C-O 3.55Å; K439-F450 VanDerWaalsContact C-O 3.23Å; K439-F450 VanDerWaalsContact CA-O 3.28Å; K439-F450 WeakPolarHBondContact CA-O 3.49Å; Y441-F450 WeakPolarHBondContact CD2-O 3.26Å; Y441-F450 PolarHBondContact N-O 3.32Å; Y441-F450 PolarHBondContact O-N 3.15Å; C443-F450 HydrophobicContact CB-CE2 4.47Å; K448-F450 HydrophobicContact CB-CE2 3.94Å; K448-F450 HydrophobicContact CB-CZ 4.15Å; K448-F450 WeakPolarHBondContact O-CD2 3.49Å; K448-F450 VanDerWaalsContact O-CE2 3.23Å; K448-F450 WeakPolarHBondContact O-CE2 3.5Å; F450-M452 VanDerWaalsContact C-N 3.29Å; F450-M452 PolarHBondContact O-N 2.79Å; F450-H455 HydrophobicContact CB-CB 4.22Å; F450-H455 HydrophobicContact CD1-CB 3.87Å; F450-H455 HydrophobicContact CG-CB 4.28Å; F450-L456 HydrophobicContact CB-CB 4.35Å; F450-L456 HydrophobicContact CD2-CB 3.93Å; F450-L456 HydrophobicContact CD2-CD1 3.8Å; F450-L456 HydrophobicContact CD2-CG 4.48Å; F450-L456 HydrophobicContact CE2-CD1 4Å; F450-L456 HydrophobicContact CG-CB 4.32Å; F450-H459 HydrophobicContact CE1-CB 4.01Å; F450-H459 HydrophobicContact CE2-CB 3.81Å; F450-H459 AromaticContact CE2-CD2 3.23Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.3Å; F450-H459 AromaticContact CE2-CG 3.58Å; F450-H459 HydrophobicContact CZ-CB 3.42Å; F450-H459 VanDerWaalsContact CZ-CB 3.42Å; F450-H459 AromaticContact CZ-CD2 3.35Å; F450-H459 WeakPolarHBondContact CZ-CD2 3.42Å; F450-H459 AromaticContact CZ-CG 3.21Å; F450-H459 AromaticContact CZ-ND1 3.85Å; F450-H459 AromaticContact CZ-NE2 3.98Å
451	C	76.6	Confident	77.8	Confident	30 Å²	30	69 Å²	69	20%	0.203	35%	0.347	C	S	.	.	S	Bend	trans	-77.7	-14.1	177.6	60.3	0	0	0	0	113.7	R433	R433-C451 HydrophobicContact CB-CB 4.26Å; R433-C451 PolarHBondContact NH1-O 3.29Å
452	M	77	Confident	77.5	Confident	56 Å²	56	69.5 Å²	69.5	28%	0.276	36%	0.358	S	S	.	.	S	Bend	trans	-137.5	137.3	-178.6	-60.4	-177.3	-171.1	0	0	110.9	K430 F450 S454 H455 L456	K430-M452 HydrophobicContact CB-CE 4.2Å; F450-M452 VanDerWaalsContact C-N 3.29Å; F450-M452 PolarHBondContact O-N 2.79Å; M452-S454 VanDerWaalsContact C-N 3.28Å; M452-S454 PolarHBondContact O-N 3.19Å; M452-H455 PolarHBondContact O-N 3.36Å; M452-H455 VanDerWaalsContact O-N 3.16Å; M452-L456 PolarHBondContact O-N 3.21Å
453	N	77.8	Confident	77.3	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-60.3	-37.9	177.8	-169.6	46.7	0	0	0	112.5	Y441 H455 L456 T457	Y441-N453 HydrophobicContact CD1-CB 3.76Å; Y441-N453 HydrophobicContact CD2-CB 4.42Å; Y441-N453 VanDerWaalsContact CD2-N 3.25Å; Y441-N453 HydrophobicContact CE1-CB 3.68Å; Y441-N453 HydrophobicContact CE2-CB 4.33Å; Y441-N453 HydrophobicContact CG-CB 4.14Å; N453-H455 PolarHBondContact O-N 3.08Å; N453-L456 WeakPolarHBondContact O-CA 3.47Å; N453-L456 WeakPolarHBondContact O-CB 3.48Å; N453-L456 PolarHBondContact O-N 3.43Å; N453-T457 PolarHBondContact O-N 3.26Å; N453-T457 PolarHBondContact O-OG1 2.96Å; N453-T457 VanDerWaalsContact O-OG1 3.07Å
454	S	76.4	Confident	76.9	Confident	71 Å²	71	70.8 Å²	70.8	50%	0.497	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-34.3	177.8	47.6	0	0	0	0	112.9	M452 V458	M452-S454 VanDerWaalsContact C-N 3.28Å; M452-S454 PolarHBondContact O-N 3.19Å; S454-V458 WeakPolarHBondContact O-CG2 3.49Å; S454-V458 PolarHBondContact O-N 3.12Å
455	H	79.6	Confident	76.8	Confident	94 Å²	94	62.2 Å²	62.2	44%	0.435	35%	0.35	S	S	.	.	H	α-helix	trans	-73.1	-38.2	174.1	-63.5	169.3	0	0	0	111.9	F450 M452 N453 V458 H459	F450-H455 HydrophobicContact CB-CB 4.22Å; F450-H455 HydrophobicContact CD1-CB 3.87Å; F450-H455 HydrophobicContact CG-CB 4.28Å; M452-H455 PolarHBondContact O-N 3.36Å; M452-H455 VanDerWaalsContact O-N 3.16Å; N453-H455 PolarHBondContact O-N 3.08Å; H455-V458 PolarHBondContact O-N 3.13Å; H455-H459 VanDerWaalsContact O-CB 3.29Å; H455-H459 WeakPolarHBondContact O-CB 3.32Å; H455-H459 PolarHBondContact O-N 3.49Å
456	L	81.3	Confident	76.8	Confident	12 Å²	12	61.8 Å²	61.8	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-47.5	172.7	174.1	63	0	0	0	111.1	C443 F450 M452 N453 V458 H459 Q460	C443-L456 HydrophobicContact CB-CD1 3.54Å; F450-L456 HydrophobicContact CB-CB 4.35Å; F450-L456 HydrophobicContact CD2-CB 3.93Å; F450-L456 HydrophobicContact CD2-CD1 3.8Å; F450-L456 HydrophobicContact CD2-CG 4.48Å; F450-L456 HydrophobicContact CE2-CD1 4Å; F450-L456 HydrophobicContact CG-CB 4.32Å; M452-L456 PolarHBondContact O-N 3.21Å; N453-L456 WeakPolarHBondContact O-CA 3.47Å; N453-L456 WeakPolarHBondContact O-CB 3.48Å; N453-L456 PolarHBondContact O-N 3.43Å; L456-V458 VanDerWaalsContact C-N 3.31Å; L456-V458 PolarHBondContact O-N 3.19Å; L456-H459 CarbonylContact O-C 3.23Å; L456-H459 WeakPolarHBondContact O-CA 3.45Å; L456-H459 WeakPolarHBondContact O-CB 3.35Å; L456-H459 PolarHBondContact O-N 2.83Å; L456-Q460 HydrophobicContact CD1-CG 4.15Å; L456-Q460 HydrophobicContact CG-CG 4.42Å; L456-Q460 WeakPolarHBondContact O-CG 3.3Å; L456-Q460 PolarHBondContact O-N 3.39Å
457	T	79.3	Confident	77.2	Confident	55 Å²	55	65.6 Å²	65.6	34%	0.337	36%	0.359	S	S	.	.	H	α-helix	trans	-59.4	-40.8	178.3	-52.1	0	0	0	0	112.3	N453 H459	N453-T457 PolarHBondContact O-N 3.26Å; N453-T457 PolarHBondContact O-OG1 2.96Å; N453-T457 VanDerWaalsContact O-OG1 3.07Å; T457-H459 VanDerWaalsContact C-N 3.33Å
458	V	79.3	Confident	77.6	Confident	38 Å²	38	67.2 Å²	67.2	23%	0.23	36%	0.362	C	S	.	.	H	α-helix	trans	-68.3	-36.3	174.9	166.2	0	0	0	0	111.3	S454 H455 L456 R461 Q480	S454-V458 WeakPolarHBondContact O-CG2 3.49Å; S454-V458 PolarHBondContact O-N 3.12Å; H455-V458 PolarHBondContact O-N 3.13Å; L456-V458 VanDerWaalsContact C-N 3.31Å; L456-V458 PolarHBondContact O-N 3.19Å; V458-R461 WeakPolarHBondContact O-CB 3.34Å; V458-R461 PolarHBondContact O-N 3.29Å; V458-Q480 HydrophobicContact CG1-CG 3.92Å; V458-Q480 HydrophobicContact CG2-CG 4.32Å
459	H	80.2	Confident	78.1	Confident	23 Å²	23	64 Å²	64	11%	0.106	35%	0.348	C	S	.	.	H	α-helix	trans	-69.5	-38.6	177.1	171.5	59.2	0	0	0	112.5	C446 F450 H455 L456 T457 R461 T462 H463	C446-H459 PolarHBondContact SG-NE2 2.84Å; F450-H459 HydrophobicContact CE1-CB 4.01Å; F450-H459 HydrophobicContact CE2-CB 3.81Å; F450-H459 AromaticContact CE2-CD2 3.23Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.3Å; F450-H459 AromaticContact CE2-CG 3.58Å; F450-H459 HydrophobicContact CZ-CB 3.42Å; F450-H459 VanDerWaalsContact CZ-CB 3.42Å; F450-H459 AromaticContact CZ-CD2 3.35Å; F450-H459 WeakPolarHBondContact CZ-CD2 3.42Å; F450-H459 AromaticContact CZ-CG 3.21Å; F450-H459 AromaticContact CZ-ND1 3.85Å; F450-H459 AromaticContact CZ-NE2 3.98Å; H455-H459 VanDerWaalsContact O-CB 3.29Å; H455-H459 WeakPolarHBondContact O-CB 3.32Å; H455-H459 PolarHBondContact O-N 3.49Å; L456-H459 CarbonylContact O-C 3.23Å; L456-H459 WeakPolarHBondContact O-CA 3.45Å; L456-H459 WeakPolarHBondContact O-CB 3.35Å; L456-H459 PolarHBondContact O-N 2.83Å; T457-H459 VanDerWaalsContact C-N 3.33Å; H459-R461 PolarHBondContact O-N 3.41Å; H459-R461 VanDerWaalsContact O-N 3.13Å; H459-T462 PolarHBondContact ND1-OG1 3.16Å; H459-T462 WeakPolarHBondContact O-CB 3.42Å; H459-T462 PolarHBondContact O-N 2.98Å; H459-T462 PolarHBondContact O-OG1 3.33Å; H459-H463 AromaticContact CD2-NE2 3.94Å; H459-H463 AromaticContact CE1-CE1 3.92Å; H459-H463 AromaticContact CE1-NE2 3.52Å; H459-H463 AromaticContact NE2-CE1 3.9Å; H459-H463 AromaticContact NE2-NE2 3.15Å; H459-H463 PolarHBondContact NE2-NE2 2.79Å; H459-H463 VanDerWaalsContact NE2-NE2 3.15Å
460	Q	77.8	Confident	78.4	Confident	80 Å²	80	67.4 Å²	67.4	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-56.8	-30.7	176.2	-75.3	169.5	-35.8	0	0	112.2	L456 T462 H463 T464	L456-Q460 HydrophobicContact CD1-CG 4.15Å; L456-Q460 HydrophobicContact CG-CG 4.42Å; L456-Q460 WeakPolarHBondContact O-CG 3.3Å; L456-Q460 PolarHBondContact O-N 3.39Å; Q460-T462 PolarHBondContact O-N 3.03Å; Q460-T462 VanDerWaalsContact O-N 3.11Å; Q460-H463 PolarHBondContact O-N 2.85Å; Q460-T464 PolarHBondContact O-N 3.43Å
461	R	82.4	Confident	78.7	Confident	63 Å²	63	65.3 Å²	65.3	24%	0.238	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.3	172.5	-61.5	178.1	-177	164.5	2.8	114.2	V458 H459 H463 G465 E466 C479	V458-R461 WeakPolarHBondContact O-CB 3.34Å; V458-R461 PolarHBondContact O-N 3.29Å; H459-R461 PolarHBondContact O-N 3.41Å; H459-R461 VanDerWaalsContact O-N 3.13Å; R461-H463 VanDerWaalsContact C-N 3.35Å; R461-G465 PolarHBondContact O-N 3.22Å; R461-E466 PolarHBondContact O-N 3.34Å; R461-C479 HydrophobicContact CB-CB 4.31Å; R461-C479 PolarHBondContact NH1-O 3.13Å
462	T	74.2	Confident	78.9	Confident	87 Å²	87	71.8 Å²	71.8	53%	0.534	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.2	174.1	68.1	0	0	0	0	112.8	H459 Q460	H459-T462 PolarHBondContact ND1-OG1 3.16Å; H459-T462 WeakPolarHBondContact O-CB 3.42Å; H459-T462 PolarHBondContact O-N 2.98Å; H459-T462 PolarHBondContact O-OG1 3.33Å; Q460-T462 PolarHBondContact O-N 3.03Å; Q460-T462 VanDerWaalsContact O-N 3.11Å
463	H	74.4	Confident	79	Confident	73 Å²	73	75.4 Å²	75.4	34%	0.338	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-44.3	178.4	-58.4	-51.3	0	0	0	111.2	C443 E445 C446 H459 Q460 R461 G465	C443-H463 VanDerWaalsContact SG-CD2 3.52Å; C443-H463 PolarHBondContact SG-NE2 3.4Å; E445-H463 WeakPolarHBondContact OE2-CB 3.37Å; E445-H463 IonicContact OE2-CD2 3.9Å; E445-H463 PolarHBondContact OE2-CD2 3.17Å; E445-H463 IonicContact OE2-CG 3.44Å; C446-H463 VanDerWaalsContact SG-CE1 3.53Å; C446-H463 PolarHBondContact SG-NE2 3.09Å; H459-H463 AromaticContact CD2-NE2 3.94Å; H459-H463 AromaticContact CE1-CE1 3.92Å; H459-H463 AromaticContact CE1-NE2 3.52Å; H459-H463 AromaticContact NE2-CE1 3.9Å; H459-H463 AromaticContact NE2-NE2 3.15Å; H459-H463 PolarHBondContact NE2-NE2 2.79Å; H459-H463 VanDerWaalsContact NE2-NE2 3.15Å; Q460-H463 PolarHBondContact O-N 2.85Å; R461-H463 VanDerWaalsContact C-N 3.35Å; H463-G465 PolarHBondContact O-N 3.37Å
464	T	74.1	Confident	79.1	Confident	79 Å²	79	73.9 Å²	73.9	49%	0.485	39%	0.394	S	S	.	.	S	Bend	trans	-72.7	-14.3	176.5	63.4	0	0	0	0	113.2	Q460 E466	Q460-T464 PolarHBondContact O-N 3.43Å; T464-E466 PolarHBondContact O-N 2.82Å; T464-E466 VanDerWaalsContact O-N 3.16Å; T464-E466 WeakPolarHBondContact OG1-CG 3.48Å; T464-E466 PolarHBondContact OG1-N 3.45Å
465	G	73.5	Confident	79.2	Confident	48 Å²	48	72.6 Å²	72.6	50%	0.495	39%	0.392	S	S	.	.			trans	69.6	3.7	-175.4	0	0	0	0	0	114.1	R461 H463 K467	R461-G465 PolarHBondContact O-N 3.22Å; H463-G465 PolarHBondContact O-N 3.37Å; G465-K467 PolarHBondContact O-N 2.99Å
466	E	73.9	Confident	79.2	Confident	112 Å²	112	73.9 Å²	73.9	52%	0.523	40%	0.397	S	S	.	.			trans	-61.3	121.3	-178.7	-74.3	-178	179.2	0	0	111.3	R461 T464 P468	R461-E466 PolarHBondContact O-N 3.34Å; T464-E466 PolarHBondContact O-N 2.82Å; T464-E466 VanDerWaalsContact O-N 3.16Å; T464-E466 WeakPolarHBondContact OG1-CG 3.48Å; T464-E466 PolarHBondContact OG1-N 3.45Å; E466-P468 WeakPolarHBondContact O-CD 3.46Å
467	K	80.7	Confident	79.3	Confident	129 Å²	129	75.1 Å²	75.1	56%	0.561	41%	0.406	S	S	*	.			trans	-123	77.2	174.2	-70.6	165.3	174.2	179.2	0	109.2	G465 F469 S477 F478	G465-K467 PolarHBondContact O-N 2.99Å; K467-F469 PolarHBondContact O-N 2.84Å; K467-S477 WeakPolarHBondContact CD-O 3.18Å; K467-S477 WeakPolarHBondContact O-CB 3.31Å; K467-F478 CarbonylContact C-O 3.23Å; K467-F478 WeakPolarHBondContact CA-O 3.37Å
468	P	81.9	Confident	79.5	Confident	74 Å²	74	74.7 Å²	74.7	48%	0.481	40%	0.4	S	S	.	.			trans	-66.2	-12.6	-171	-21.6	34.2	0	0	0	114.5	E466	E466-P468 WeakPolarHBondContact O-CD 3.46Å
469	F	83.7	Confident	79.5	Confident	56 Å²	56	74.5 Å²	74.5	25%	0.246	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	89.1	-173.3	-55.6	-73.3	0	0	0	110.1	K467 S477 F478 K481 L484	K467-F469 PolarHBondContact O-N 2.84Å; F469-S477 CarbonylContact O-C 3.52Å; F469-S477 WeakPolarHBondContact O-CA 3.39Å; F469-F478 HydrophobicContact CB-CB 4.4Å; F469-F478 WeakPolarHBondContact CB-O 3.42Å; F469-F478 WeakPolarHBondContact CD2-O 3.32Å; F469-F478 PolarHBondContact N-O 3.13Å; F469-F478 VanDerWaalsContact N-O 3.15Å; F469-F478 PolarHBondContact O-N 3.41Å; F469-K481 HydrophobicContact CD1-CB 3.83Å; F469-K481 HydrophobicContact CD1-CG 4.22Å; F469-K481 VanDerWaalsContact CD2-N 3.33Å; F469-K481 HydrophobicContact CE1-CB 3.67Å; F469-K481 HydrophobicContact CE1-CD 4.44Å; F469-K481 HydrophobicContact CE1-CG 4.23Å; F469-K481 HydrophobicContact CE2-CB 4.37Å; F469-K481 HydrophobicContact CG-CB 4.25Å; F469-K481 HydrophobicContact CZ-CB 3.96Å; F469-L484 HydrophobicContact CB-CB 3.95Å; F469-L484 HydrophobicContact CB-CD2 3.77Å; F469-L484 HydrophobicContact CB-CG 4.45Å
470	E	83	Confident	79.5	Confident	108 Å²	108	76.2 Å²	76.2	51%	0.505	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.6	178.2	-175.1	171.5	177.6	0	0	112.7
471	C	86.5	Confident	79.5	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.007	42%	0.419	C	S	.	.			trans	-88.1	111.9	169.7	-175.7	0	0	0	0	110.3	E473 C474 G475 K476 F478 L484 H491	C471-E473 PolarHBondContact O-N 3.06Å; C471-E473 VanDerWaalsContact O-N 3.15Å; C471-C474 PolarHBondContact O-N 3.41Å; C471-G475 WeakPolarHBondContact O-CA 3.39Å; C471-G475 PolarHBondContact O-N 2.62Å; C471-K476 VanDerWaalsContact CB-O 3.3Å; C471-K476 WeakPolarHBondContact CB-O 3.29Å; C471-K476 PolarHBondContact N-O 3.21Å; C471-F478 HydrophobicContact CB-CE2 4.45Å; C471-L484 HydrophobicContact CB-CD1 3.56Å; C471-H491 VanDerWaalsContact SG-CD2 3.56Å; C471-H491 PolarHBondContact SG-NE2 2.95Å
472	L	80.6	Confident	79.3	Confident	166 Å²	166	79.2 Å²	79.2	87%	0.869	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.1	-178.3	-59.9	176.7	0	0	0	114.1
473	E	78.5	Confident	79.6	Confident	132 Å²	132	78.6 Å²	78.6	62%	0.617	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-23.7	-177.4	-66.7	179.2	156.2	0	0	113.7	C471 H491	C471-E473 PolarHBondContact O-N 3.06Å; C471-E473 VanDerWaalsContact O-N 3.15Å; E473-H491 WeakPolarHBondContact OE2-CB 3.43Å; E473-H491 IonicContact OE2-CD2 2.96Å; E473-H491 PolarHBondContact OE2-CD2 3.3Å; E473-H491 IonicContact OE2-CG 3.33Å
474	C	79.7	Confident	80	Confident	50 Å²	50	76 Å²	76	34%	0.338	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	4.7	-176.5	73.6	0	0	0	0	114.7	C471 K476 H487 H491	C471-C474 PolarHBondContact O-N 3.41Å; C474-K476 PolarHBondContact O-N 3.08Å; C474-K476 VanDerWaalsContact O-N 3.13Å; C474-K476 VanDerWaalsContact SG-CB 3.56Å; C474-K476 VanDerWaalsContact SG-CG 3.55Å; C474-H487 PolarHBondContact SG-NE2 3.11Å; C474-H491 PolarHBondContact SG-NE2 3.48Å; C474-H491 VanDerWaalsContact SG-NE2 3.41Å
475	G	79.1	Confident	80.3	Confident	44 Å²	44	75 Å²	75	45%	0.454	40%	0.403	S	S	.	.			trans	65.3	10.2	-179	0	0	0	0	0	114.6	C471	C471-G475 WeakPolarHBondContact O-CA 3.39Å; C471-G475 PolarHBondContact O-N 2.62Å
476	K	80.3	Confident	80.4	Confident	122 Å²	122	76.9 Å²	76.9	53%	0.53	40%	0.399	S	S	.	.			trans	-80.8	124.2	179.7	-70.4	179.6	-176.4	174.4	0	110.6	C471 C474 F478	C471-K476 VanDerWaalsContact CB-O 3.3Å; C471-K476 WeakPolarHBondContact CB-O 3.29Å; C471-K476 PolarHBondContact N-O 3.21Å; C474-K476 PolarHBondContact O-N 3.08Å; C474-K476 VanDerWaalsContact O-N 3.13Å; C474-K476 VanDerWaalsContact SG-CB 3.56Å; C474-K476 VanDerWaalsContact SG-CG 3.55Å; K476-F478 HydrophobicContact CB-CE2 3.98Å; K476-F478 HydrophobicContact CB-CZ 4.14Å; K476-F478 VanDerWaalsContact O-CE2 3.29Å; K476-F478 WeakPolarHBondContact O-CE2 3.34Å
477	S	83.1	Confident	80.7	Confident	37 Å²	37	72.7 Å²	72.7	26%	0.259	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.7	179.9	-44.1	0	0	0	0	112.8	K467 F469	K467-S477 WeakPolarHBondContact CD-O 3.18Å; K467-S477 WeakPolarHBondContact O-CB 3.31Å; F469-S477 CarbonylContact O-C 3.52Å; F469-S477 WeakPolarHBondContact O-CA 3.39Å
478	F	82.9	Confident	80.6	Confident	47 Å²	47	70 Å²	70	21%	0.206	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.5	-175.9	-59	-90.7	0	0	0	111.1	K467 F469 C471 K476 Q480 H483 L484 H487	K467-F478 CarbonylContact C-O 3.23Å; K467-F478 WeakPolarHBondContact CA-O 3.37Å; F469-F478 HydrophobicContact CB-CB 4.4Å; F469-F478 WeakPolarHBondContact CB-O 3.42Å; F469-F478 WeakPolarHBondContact CD2-O 3.32Å; F469-F478 PolarHBondContact N-O 3.13Å; F469-F478 VanDerWaalsContact N-O 3.15Å; F469-F478 PolarHBondContact O-N 3.41Å; C471-F478 HydrophobicContact CB-CE2 4.45Å; K476-F478 HydrophobicContact CB-CE2 3.98Å; K476-F478 HydrophobicContact CB-CZ 4.14Å; K476-F478 VanDerWaalsContact O-CE2 3.29Å; K476-F478 WeakPolarHBondContact O-CE2 3.34Å; F478-Q480 VanDerWaalsContact C-N 3.32Å; F478-H483 HydrophobicContact CB-CB 4.24Å; F478-H483 HydrophobicContact CD1-CB 3.92Å; F478-H483 HydrophobicContact CG-CB 4.3Å; F478-L484 HydrophobicContact CB-CB 4.37Å; F478-L484 HydrophobicContact CD2-CB 3.93Å; F478-L484 HydrophobicContact CD2-CD1 3.81Å; F478-L484 HydrophobicContact CD2-CG 4.49Å; F478-L484 HydrophobicContact CE2-CD1 4.02Å; F478-L484 HydrophobicContact CG-CB 4.36Å; F478-H487 HydrophobicContact CE1-CB 4.03Å; F478-H487 HydrophobicContact CE2-CB 3.73Å; F478-H487 AromaticContact CE2-CD2 3.37Å; F478-H487 WeakPolarHBondContact CE2-CD2 2.88Å; F478-H487 AromaticContact CE2-CG 3.6Å; F478-H487 HydrophobicContact CZ-CB 3.38Å; F478-H487 AromaticContact CZ-CD2 3.46Å; F478-H487 VanDerWaalsContact CZ-CD2 3.46Å; F478-H487 WeakPolarHBondContact CZ-CD2 3.42Å; F478-H487 AromaticContact CZ-CG 3.24Å; F478-H487 AromaticContact CZ-ND1 3.89Å
479	C	78.4	Confident	80.4	Confident	34 Å²	34	70.5 Å²	70.5	23%	0.23	36%	0.361	C	S	.	.	S	Bend	trans	-79.6	-12.9	176.3	60.7	0	0	0	0	113.5	R461	R461-C479 HydrophobicContact CB-CB 4.31Å; R461-C479 PolarHBondContact NH1-O 3.13Å
480	Q	80.8	Confident	79.9	Confident	58 Å²	58	70.8 Å²	70.8	27%	0.271	37%	0.367	S	S	.	.	S	Bend	trans	-135.6	140.8	179.5	-61.1	-179.5	30.3	0	0	111.8	V458 F478 S482 H483 L484	V458-Q480 HydrophobicContact CG1-CG 3.92Å; V458-Q480 HydrophobicContact CG2-CG 4.32Å; F478-Q480 VanDerWaalsContact C-N 3.32Å; Q480-S482 VanDerWaalsContact C-N 3.32Å; Q480-S482 PolarHBondContact O-N 3.15Å; Q480-S482 PolarHBondContact OE1-OG 2.84Å; Q480-H483 HydrophobicContact CB-CB 4.48Å; Q480-H483 PolarHBondContact O-N 3.33Å; Q480-L484 PolarHBondContact O-N 3.12Å
481	K	78.8	Confident	79.5	Confident	142 Å²	142	69.1 Å²	69.1	62%	0.617	36%	0.359	S	S	*	.	H	α-helix	trans	-62.3	-35.9	176.8	-171.1	175.2	179.9	176.7	0	113.1	F469 H483 L484 T485	F469-K481 HydrophobicContact CD1-CB 3.83Å; F469-K481 HydrophobicContact CD1-CG 4.22Å; F469-K481 VanDerWaalsContact CD2-N 3.33Å; F469-K481 HydrophobicContact CE1-CB 3.67Å; F469-K481 HydrophobicContact CE1-CD 4.44Å; F469-K481 HydrophobicContact CE1-CG 4.23Å; F469-K481 HydrophobicContact CE2-CB 4.37Å; F469-K481 HydrophobicContact CG-CB 4.25Å; F469-K481 HydrophobicContact CZ-CB 3.96Å; K481-H483 VanDerWaalsContact C-N 3.31Å; K481-H483 PolarHBondContact O-N 3.13Å; K481-L484 PolarHBondContact O-N 3.05Å; K481-T485 WeakPolarHBondContact O-CB 3.33Å; K481-T485 PolarHBondContact O-N 3.06Å; K481-T485 PolarHBondContact O-OG1 3.49Å
482	S	77.6	Confident	78.8	Confident	65 Å²	65	75.1 Å²	75.1	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-58.9	-41.8	175.9	49.6	0	0	0	0	111.8	Q480 Q486	Q480-S482 VanDerWaalsContact C-N 3.32Å; Q480-S482 PolarHBondContact O-N 3.15Å; Q480-S482 PolarHBondContact OE1-OG 2.84Å; S482-Q486 WeakPolarHBondContact O-CB 3.42Å; S482-Q486 PolarHBondContact O-N 2.83Å
483	H	80	Confident	78.2	Confident	74 Å²	74	69.1 Å²	69.1	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-70.3	-39.6	177.3	-61.9	163.5	0	0	0	112.1	F478 Q480 K481 Q486 H487	F478-H483 HydrophobicContact CB-CB 4.24Å; F478-H483 HydrophobicContact CD1-CB 3.92Å; F478-H483 HydrophobicContact CG-CB 4.3Å; Q480-H483 HydrophobicContact CB-CB 4.48Å; Q480-H483 PolarHBondContact O-N 3.33Å; K481-H483 VanDerWaalsContact C-N 3.31Å; K481-H483 PolarHBondContact O-N 3.13Å; H483-Q486 PolarHBondContact O-N 3.26Å; H483-H487 VanDerWaalsContact O-CB 3.32Å; H483-H487 WeakPolarHBondContact O-CB 3.36Å; H483-H487 PolarHBondContact O-N 2.85Å
484	L	83.3	Confident	77.8	Confident	17 Å²	17	66.5 Å²	66.5	9%	0.089	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-48.8	172.1	173.3	63.4	0	0	0	111.2	F469 C471 F478 Q480 K481 Q486 H487 Q488	F469-L484 HydrophobicContact CB-CB 3.95Å; F469-L484 HydrophobicContact CB-CD2 3.77Å; F469-L484 HydrophobicContact CB-CG 4.45Å; C471-L484 HydrophobicContact CB-CD1 3.56Å; F478-L484 HydrophobicContact CB-CB 4.37Å; F478-L484 HydrophobicContact CD2-CB 3.93Å; F478-L484 HydrophobicContact CD2-CD1 3.81Å; F478-L484 HydrophobicContact CD2-CG 4.49Å; F478-L484 HydrophobicContact CE2-CD1 4.02Å; F478-L484 HydrophobicContact CG-CB 4.36Å; Q480-L484 PolarHBondContact O-N 3.12Å; K481-L484 PolarHBondContact O-N 3.05Å; L484-Q486 PolarHBondContact O-N 2.77Å; L484-H487 CarbonylContact O-C 3.57Å; L484-H487 WeakPolarHBondContact O-CA 3.26Å; L484-H487 WeakPolarHBondContact O-CB 3.33Å; L484-H487 PolarHBondContact O-N 3.06Å; L484-Q488 HydrophobicContact CD1-CG 4.1Å; L484-Q488 HydrophobicContact CG-CG 4.4Å; L484-Q488 WeakPolarHBondContact O-CG 3.13Å; L484-Q488 PolarHBondContact O-N 3.44Å
485	T	79.9	Confident	77.6	Confident	60 Å²	60	67.8 Å²	67.8	37%	0.368	36%	0.359	S	S	.	.	H	α-helix	trans	-59.8	-39	179.3	-51.2	0	0	0	0	111	K481	K481-T485 WeakPolarHBondContact O-CB 3.33Å; K481-T485 PolarHBondContact O-N 3.06Å; K481-T485 PolarHBondContact O-OG1 3.49Å
486	Q	75.5	Confident	77.5	Confident	87 Å²	87	68.9 Å²	68.9	41%	0.407	36%	0.358	S	S	.	.	H	α-helix	trans	-66.2	-42.9	173.6	175.2	-178.5	98.5	0	0	112	S482 H483 L484 R489 H508	S482-Q486 WeakPolarHBondContact O-CB 3.42Å; S482-Q486 PolarHBondContact O-N 2.83Å; H483-Q486 PolarHBondContact O-N 3.26Å; L484-Q486 PolarHBondContact O-N 2.77Å; Q486-R489 WeakPolarHBondContact O-CB 3.44Å; Q486-R489 PolarHBondContact O-N 2.98Å; Q486-H508 PolarHBondContact NE2-CE1 3.13Å; Q486-H508 PolarHBondContact NE2-NE2 2.85Å
487	H	80.3	Confident	77.4	Confident	23 Å²	23	67.1 Å²	67.1	11%	0.106	35%	0.348	C	S	.	.	H	α-helix	trans	-65.2	-39.4	178.4	173.4	59	0	0	0	112.4	C474 F478 H483 L484 R489 T490 H491	C474-H487 PolarHBondContact SG-NE2 3.11Å; F478-H487 HydrophobicContact CE1-CB 4.03Å; F478-H487 HydrophobicContact CE2-CB 3.73Å; F478-H487 AromaticContact CE2-CD2 3.37Å; F478-H487 WeakPolarHBondContact CE2-CD2 2.88Å; F478-H487 AromaticContact CE2-CG 3.6Å; F478-H487 HydrophobicContact CZ-CB 3.38Å; F478-H487 AromaticContact CZ-CD2 3.46Å; F478-H487 VanDerWaalsContact CZ-CD2 3.46Å; F478-H487 WeakPolarHBondContact CZ-CD2 3.42Å; F478-H487 AromaticContact CZ-CG 3.24Å; F478-H487 AromaticContact CZ-ND1 3.89Å; H483-H487 VanDerWaalsContact O-CB 3.32Å; H483-H487 WeakPolarHBondContact O-CB 3.36Å; H483-H487 PolarHBondContact O-N 2.85Å; L484-H487 CarbonylContact O-C 3.57Å; L484-H487 WeakPolarHBondContact O-CA 3.26Å; L484-H487 WeakPolarHBondContact O-CB 3.33Å; L484-H487 PolarHBondContact O-N 3.06Å; H487-R489 PolarHBondContact O-N 3.34Å; H487-R489 VanDerWaalsContact O-N 3.16Å; H487-T490 PolarHBondContact ND1-OG1 3.37Å; H487-T490 VanDerWaalsContact O-CB 3.3Å; H487-T490 WeakPolarHBondContact O-CB 3.46Å; H487-T490 PolarHBondContact O-N 3.21Å; H487-T490 PolarHBondContact O-OG1 3.47Å; H487-H491 AromaticContact CD2-NE2 3.87Å; H487-H491 AromaticContact CE1-CE1 3.94Å; H487-H491 AromaticContact CE1-NE2 3.71Å; H487-H491 AromaticContact NE2-CE1 3.73Å; H487-H491 AromaticContact NE2-NE2 3.13Å; H487-H491 PolarHBondContact NE2-NE2 2.75Å; H487-H491 VanDerWaalsContact NE2-NE2 3.13Å
488	Q	78.9	Confident	77.3	Confident	73 Å²	73	70.6 Å²	70.6	34%	0.341	36%	0.36	S	S	.	.	H	α-helix	trans	-58.4	-29	177.4	-75	172.3	-41	0	0	112.6	L484 T490 H491 I492	L484-Q488 HydrophobicContact CD1-CG 4.1Å; L484-Q488 HydrophobicContact CG-CG 4.4Å; L484-Q488 WeakPolarHBondContact O-CG 3.13Å; L484-Q488 PolarHBondContact O-N 3.44Å; Q488-T490 PolarHBondContact O-N 3.01Å; Q488-H491 PolarHBondContact O-N 2.63Å; Q488-H491 VanDerWaalsContact O-N 3.14Å; Q488-I492 PolarHBondContact O-N 2.97Å
489	R	77.7	Confident	77.4	Confident	84 Å²	84	68.4 Å²	68.4	32%	0.317	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-24.4	172.7	-61.4	178.9	-177.1	-174.9	-4.5	113	Q486 H487 H491 G493 D494 Y507	Q486-R489 WeakPolarHBondContact O-CB 3.44Å; Q486-R489 PolarHBondContact O-N 2.98Å; H487-R489 PolarHBondContact O-N 3.34Å; H487-R489 VanDerWaalsContact O-N 3.16Å; R489-H491 VanDerWaalsContact C-N 3.33Å; R489-G493 PolarHBondContact O-N 3.31Å; R489-G493 VanDerWaalsContact O-N 3.13Å; R489-D494 PolarHBondContact O-N 2.84Å; R489-Y507 HydrophobicContact CB-CD1 4.16Å; R489-Y507 HydrophobicContact CB-CE1 4.45Å; R489-Y507 WeakPolarHBondContact O-CE1 3.07Å
490	T	73.9	Confident	77.5	Confident	62 Å²	62	74 Å²	74	38%	0.38	38%	0.379	S	S	.	.	H	α-helix	trans	-73.3	-23.7	178.4	68.8	0	0	0	0	113.6	H487 Q488 Y507	H487-T490 PolarHBondContact ND1-OG1 3.37Å; H487-T490 VanDerWaalsContact O-CB 3.3Å; H487-T490 WeakPolarHBondContact O-CB 3.46Å; H487-T490 PolarHBondContact O-N 3.21Å; H487-T490 PolarHBondContact O-OG1 3.47Å; Q488-T490 PolarHBondContact O-N 3.01Å; T490-Y507 HydrophobicContact CG2-CE1 4.37Å; T490-Y507 HydrophobicContact CG2-CE2 4.45Å
491	H	73.5	Confident	77.3	Confident	73 Å²	73	74.7 Å²	74.7	34%	0.338	39%	0.394	S	S	.	.	H	α-helix	trans	-84.7	-41.3	176.9	-60.4	-51.4	0	0	0	112	C471 E473 C474 H487 Q488 R489 G493	C471-H491 VanDerWaalsContact SG-CD2 3.56Å; C471-H491 PolarHBondContact SG-NE2 2.95Å; E473-H491 WeakPolarHBondContact OE2-CB 3.43Å; E473-H491 IonicContact OE2-CD2 2.96Å; E473-H491 PolarHBondContact OE2-CD2 3.3Å; E473-H491 IonicContact OE2-CG 3.33Å; C474-H491 PolarHBondContact SG-NE2 3.48Å; C474-H491 VanDerWaalsContact SG-NE2 3.41Å; H487-H491 AromaticContact CD2-NE2 3.87Å; H487-H491 AromaticContact CE1-CE1 3.94Å; H487-H491 AromaticContact CE1-NE2 3.71Å; H487-H491 AromaticContact NE2-CE1 3.73Å; H487-H491 AromaticContact NE2-NE2 3.13Å; H487-H491 PolarHBondContact NE2-NE2 2.75Å; H487-H491 VanDerWaalsContact NE2-NE2 3.13Å; Q488-H491 PolarHBondContact O-N 2.63Å; Q488-H491 VanDerWaalsContact O-N 3.14Å; R489-H491 VanDerWaalsContact C-N 3.33Å; H491-G493 PolarHBondContact O-N 3.39Å
492	I	72	Confident	77.4	Confident	127 Å²	127	70.5 Å²	70.5	65%	0.651	38%	0.382	S	S	*	.	H	α-helix	trans	-71.3	-19.3	177.7	-58.4	168.7	0	0	0	111	Q488 D494	Q488-I492 PolarHBondContact O-N 2.97Å; I492-D494 HydrophobicContact CB-CB 4.39Å; I492-D494 HydrophobicContact CG2-CB 4.03Å; I492-D494 PolarHBondContact O-N 3.04Å
493	G	67.4	Low	77.4	Confident	41 Å²	41	69.3 Å²	69.3	42%	0.423	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	9.4	-173.1	0	0	0	0	0	113.2	R489 H491 K495	R489-G493 PolarHBondContact O-N 3.31Å; R489-G493 VanDerWaalsContact O-N 3.13Å; H491-G493 PolarHBondContact O-N 3.39Å; G493-K495 PolarHBondContact O-N 2.89Å
494	D	70.1	Confident	77.2	Confident	77 Å²	77	71.2 Å²	71.2	41%	0.412	39%	0.387	S	S	.	.			trans	-66	106.4	177.7	-179.6	20.3	0	0	0	109.6	R489 I492 P496 Y507	R489-D494 PolarHBondContact O-N 2.84Å; I492-D494 HydrophobicContact CB-CB 4.39Å; I492-D494 HydrophobicContact CG2-CB 4.03Å; I492-D494 PolarHBondContact O-N 3.04Å; D494-P496 WeakPolarHBondContact O-CD 3.27Å; D494-Y507 VanDerWaalsContact O-CD1 3.23Å; D494-Y507 WeakPolarHBondContact O-CD1 3.2Å; D494-Y507 WeakPolarHBondContact O-CE1 3.39Å
495	K	75.3	Confident	76.9	Confident	77 Å²	77	72.9 Å²	72.9	34%	0.335	40%	0.398	S	S	.	.			trans	-119.3	82.6	178.5	-71.8	168.4	175.3	179.5	0	107.8	G493 Y497 T505 F506 Y507	G493-K495 PolarHBondContact O-N 2.89Å; K495-Y497 PolarHBondContact O-N 3.32Å; K495-T505 VanDerWaalsContact CB-CB 3.42Å; K495-T505 WeakPolarHBondContact CB-OG1 3.5Å; K495-T505 WeakPolarHBondContact CD-O 2.89Å; K495-T505 WeakPolarHBondContact CD-OG1 3.46Å; K495-F506 CarbonylContact C-O 3.56Å; K495-F506 WeakPolarHBondContact CA-O 3.04Å; K495-Y507 HydrophobicContact CD-CE1 4.32Å; K495-Y507 HydrophobicContact CD-CE2 4.39Å; K495-Y507 VanDerWaalsContact CE-OH 3.27Å; K495-Y507 WeakPolarHBondContact CE-OH 3.39Å; K495-Y507 HydrophobicContact CG-CD1 3.66Å; K495-Y507 HydrophobicContact CG-CD2 4.29Å; K495-Y507 HydrophobicContact CG-CE1 3.35Å; K495-Y507 HydrophobicContact CG-CE2 4.06Å; K495-Y507 HydrophobicContact CG-CG 4.12Å
496	P	77.1	Confident	76.9	Confident	67 Å²	67	71.6 Å²	71.6	44%	0.435	39%	0.388	S	S	.	.			trans	-65	-13.9	-169.1	-21.4	31.8	0	0	0	114.3	D494	D494-P496 WeakPolarHBondContact O-CD 3.27Å
497	Y	79.8	Confident	76.7	Confident	85 Å²	85	70.7 Å²	70.7	33%	0.333	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	94.3	-172	-57.4	-76.7	0	0	0	110.1	K495 T505 F506 Y507 K509	K495-Y497 PolarHBondContact O-N 3.32Å; Y497-T505 CarbonylContact O-C 3.34Å; Y497-T505 WeakPolarHBondContact O-CA 3.39Å; Y497-F506 WeakPolarHBondContact CB-O 3.45Å; Y497-F506 PolarHBondContact N-O 3.47Å; Y497-F506 PolarHBondContact O-N 2.76Å; Y497-Y507 WeakPolarHBondContact CE2-O 3.48Å; Y497-K509 HydrophobicContact CD1-CB 3.85Å; Y497-K509 HydrophobicContact CD1-CG 4.33Å; Y497-K509 HydrophobicContact CE1-CB 3.7Å; Y497-K509 HydrophobicContact CE1-CG 4.34Å; Y497-K509 HydrophobicContact CG-CB 4.39Å
498	E	80.8	Confident	76.4	Confident	109 Å²	109	72.4 Å²	72.4	51%	0.509	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.3	177.3	-170.8	172.9	166.3	0	0	112.6	T505 L512	E498-T505 HydrophobicContact CB-CG2 3.97Å; E498-T505 HydrophobicContact CG-CG2 3.89Å; E498-L512 WeakPolarHBondContact O-CD2 3.46Å
499	C	84.9	Confident	76.2	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.007	40%	0.402	C	S	.	.			trans	-89	108.9	169.6	-173.7	0	0	0	0	111	A501 C502 G503 K504 F506 L512 H515 H519	C499-A501 PolarHBondContact O-N 2.87Å; C499-C502 PolarHBondContact O-N 3.06Å; C499-C502 VanDerWaalsContact O-N 3.12Å; C499-G503 WeakPolarHBondContact O-CA 3.03Å; C499-G503 PolarHBondContact O-N 3.48Å; C499-K504 WeakPolarHBondContact CB-O 3.4Å; C499-K504 PolarHBondContact N-O 2.93Å; C499-F506 HydrophobicContact CB-CE2 4.13Å; C499-L512 HydrophobicContact CB-CD1 3.47Å; C499-L512 VanDerWaalsContact CB-CD1 3.47Å; C499-H515 VanDerWaalsContact SG-CD2 3.6Å; C499-H519 VanDerWaalsContact SG-CD2 3.51Å; C499-H519 PolarHBondContact SG-NE2 2.99Å; C499-H519 VanDerWaalsContact SG-NE2 3.45Å
500	N	79.6	Confident	76.1	Confident	153 Å²	153	75.7 Å²	75.7	82%	0.818	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25	178.5	-57.7	-9.8	0	0	0	114.2
501	A	77.4	Confident	76.2	Confident	72 Å²	72	74.6 Å²	74.6	60%	0.595	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-20.8	-178	0	0	0	0	0	114.5	C499 H519	C499-A501 PolarHBondContact O-N 2.87Å; A501-H519 HydrophobicContact CB-CB 4.25Å
502	C	80.4	Confident	76.6	Confident	53 Å²	53	71.8 Å²	71.8	36%	0.358	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	5.1	-175.6	72.7	0	0	0	0	115.1	C499 K504 H515 H519	C499-C502 PolarHBondContact O-N 3.06Å; C499-C502 VanDerWaalsContact O-N 3.12Å; C502-K504 PolarHBondContact O-N 3.37Å; C502-K504 VanDerWaalsContact SG-CB 3.55Å; C502-K504 VanDerWaalsContact SG-CG 3.58Å; C502-H515 PolarHBondContact SG-NE2 3.43Å; C502-H519 PolarHBondContact SG-NE2 3.33Å
503	G	77.1	Confident	76.7	Confident	41 Å²	41	69.1 Å²	69.1	42%	0.423	39%	0.386	S	S	.	.			trans	64.4	6.8	-178.2	0	0	0	0	0	114.6	C499 T505	C499-G503 WeakPolarHBondContact O-CA 3.03Å; C499-G503 PolarHBondContact O-N 3.48Å; G503-T505 PolarHBondContact O-N 3.4Å
504	K	76.8	Confident	77.2	Confident	113 Å²	113	72.6 Å²	72.6	49%	0.491	39%	0.386	S	S	.	.			trans	-74.2	126.7	178.5	-72.3	-178.8	-179	176.8	0	109.7	C499 C502 F506	C499-K504 WeakPolarHBondContact CB-O 3.4Å; C499-K504 PolarHBondContact N-O 2.93Å; C502-K504 PolarHBondContact O-N 3.37Å; C502-K504 VanDerWaalsContact SG-CB 3.55Å; C502-K504 VanDerWaalsContact SG-CG 3.58Å; K504-F506 HydrophobicContact CB-CE2 3.86Å; K504-F506 HydrophobicContact CB-CZ 3.88Å; K504-F506 WeakPolarHBondContact O-CD2 3.43Å; K504-F506 WeakPolarHBondContact O-CE2 3.49Å
505	T	76.7	Confident	77.6	Confident	52 Å²	52	69.9 Å²	69.9	32%	0.319	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.7	179	56.9	0	0	0	0	111.3	K495 Y497 E498 G503	K495-T505 VanDerWaalsContact CB-CB 3.42Å; K495-T505 WeakPolarHBondContact CB-OG1 3.5Å; K495-T505 WeakPolarHBondContact CD-O 2.89Å; K495-T505 WeakPolarHBondContact CD-OG1 3.46Å; Y497-T505 CarbonylContact O-C 3.34Å; Y497-T505 WeakPolarHBondContact O-CA 3.39Å; E498-T505 HydrophobicContact CB-CG2 3.97Å; E498-T505 HydrophobicContact CG-CG2 3.89Å; G503-T505 PolarHBondContact O-N 3.4Å
506	F	79.8	Confident	77.7	Confident	34 Å²	34	69.6 Å²	69.6	15%	0.149	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.9	-176.9	-59.3	-84.2	0	0	0	111.7	K495 Y497 C499 K504 V511 L512 H515	K495-F506 CarbonylContact C-O 3.56Å; K495-F506 WeakPolarHBondContact CA-O 3.04Å; Y497-F506 WeakPolarHBondContact CB-O 3.45Å; Y497-F506 PolarHBondContact N-O 3.47Å; Y497-F506 PolarHBondContact O-N 2.76Å; C499-F506 HydrophobicContact CB-CE2 4.13Å; K504-F506 HydrophobicContact CB-CE2 3.86Å; K504-F506 HydrophobicContact CB-CZ 3.88Å; K504-F506 WeakPolarHBondContact O-CD2 3.43Å; K504-F506 WeakPolarHBondContact O-CE2 3.49Å; F506-V511 HydrophobicContact CD1-CB 4.42Å; F506-V511 HydrophobicContact CD1-CG1 3.57Å; F506-V511 HydrophobicContact CE1-CG1 4.17Å; F506-V511 HydrophobicContact CG-CG1 4.27Å; F506-L512 HydrophobicContact CB-CB 4.3Å; F506-L512 HydrophobicContact CD2-CB 3.9Å; F506-L512 HydrophobicContact CD2-CD1 3.72Å; F506-L512 HydrophobicContact CD2-CG 4.41Å; F506-L512 HydrophobicContact CE2-CD1 3.93Å; F506-L512 HydrophobicContact CG-CB 4.31Å; F506-H515 HydrophobicContact CE1-CB 4.04Å; F506-H515 HydrophobicContact CE2-CB 3.82Å; F506-H515 AromaticContact CE2-CD2 3.33Å; F506-H515 WeakPolarHBondContact CE2-CD2 3.47Å; F506-H515 AromaticContact CE2-CG 3.56Å; F506-H515 HydrophobicContact CZ-CB 3.49Å; F506-H515 VanDerWaalsContact CZ-CB 3.49Å; F506-H515 AromaticContact CZ-CD2 3.33Å; F506-H515 WeakPolarHBondContact CZ-CD2 3.35Å; F506-H515 AromaticContact CZ-CG 3.14Å; F506-H515 AromaticContact CZ-ND1 3.61Å; F506-H515 AromaticContact CZ-NE2 3.86Å
507	Y	71.7	Confident	77.7	Confident	67 Å²	67	67.9 Å²	67.9	26%	0.263	36%	0.358	S	S	.	.	S	Bend	trans	-79	-19.2	178.1	-60.8	-72.3	0	0	0	113.7	R489 T490 D494 K495 Y497	R489-Y507 HydrophobicContact CB-CD1 4.16Å; R489-Y507 HydrophobicContact CB-CE1 4.45Å; R489-Y507 WeakPolarHBondContact O-CE1 3.07Å; T490-Y507 HydrophobicContact CG2-CE1 4.37Å; T490-Y507 HydrophobicContact CG2-CE2 4.45Å; D494-Y507 VanDerWaalsContact O-CD1 3.23Å; D494-Y507 WeakPolarHBondContact O-CD1 3.2Å; D494-Y507 WeakPolarHBondContact O-CE1 3.39Å; K495-Y507 HydrophobicContact CD-CE1 4.32Å; K495-Y507 HydrophobicContact CD-CE2 4.39Å; K495-Y507 VanDerWaalsContact CE-OH 3.27Å; K495-Y507 WeakPolarHBondContact CE-OH 3.39Å; K495-Y507 HydrophobicContact CG-CD1 3.66Å; K495-Y507 HydrophobicContact CG-CD2 4.29Å; K495-Y507 HydrophobicContact CG-CE1 3.35Å; K495-Y507 HydrophobicContact CG-CE2 4.06Å; K495-Y507 HydrophobicContact CG-CG 4.12Å; Y497-Y507 WeakPolarHBondContact CE2-O 3.48Å
508	H	73.1	Confident	77.3	Confident	59 Å²	59	69.4 Å²	69.4	27%	0.273	37%	0.37	S	S	.	.			trans	-134.3	139.5	-178.3	-64	-42.6	0	0	0	112.4	Q486 S510 V511 L512	Q486-H508 PolarHBondContact NE2-CE1 3.13Å; Q486-H508 PolarHBondContact NE2-NE2 2.85Å; H508-S510 VanDerWaalsContact C-N 3.27Å; H508-S510 PolarHBondContact O-N 3.46Å; H508-V511 HydrophobicContact CB-CB 4.29Å; H508-V511 HydrophobicContact CB-CG2 3.94Å; H508-V511 PolarHBondContact O-N 2.77Å; H508-V511 VanDerWaalsContact O-N 3.13Å; H508-L512 PolarHBondContact O-N 2.82Å
509	K	74.9	Confident	77	Confident	141 Å²	141	68.1 Å²	68.1	61%	0.613	36%	0.364	S	S	*	.	H	α-helix	trans	-56.2	-40.8	170.6	-167.9	173.5	-179.5	176.8	0	112	Y497 V511 L512 T513	Y497-K509 HydrophobicContact CD1-CB 3.85Å; Y497-K509 HydrophobicContact CD1-CG 4.33Å; Y497-K509 HydrophobicContact CE1-CB 3.7Å; Y497-K509 HydrophobicContact CE1-CG 4.34Å; Y497-K509 HydrophobicContact CG-CB 4.39Å; K509-V511 VanDerWaalsContact C-N 3.3Å; K509-V511 PolarHBondContact O-N 3.11Å; K509-L512 WeakPolarHBondContact O-CB 2.9Å; K509-L512 PolarHBondContact O-N 2.96Å; K509-T513 PolarHBondContact O-N 3.12Å; K509-T513 PolarHBondContact O-OG1 3.31Å
510	S	75.2	Confident	76.4	Confident	85 Å²	85	72.1 Å²	72.1	59%	0.594	39%	0.389	S	S	*	.	H	α-helix	trans	-61.5	-36.2	177.9	56	0	0	0	0	113.3	H508 R514	H508-S510 VanDerWaalsContact C-N 3.27Å; H508-S510 PolarHBondContact O-N 3.46Å; S510-R514 WeakPolarHBondContact O-CB 3.36Å; S510-R514 PolarHBondContact O-N 3.31Å
511	V	76.3	Confident	75.7	Confident	39 Å²	39	67.5 Å²	67.5	24%	0.236	38%	0.377	C	S	.	.	H	α-helix	trans	-74.5	-38.7	177.3	-179.3	0	0	0	0	110.6	F506 H508 K509 R514 H515	F506-V511 HydrophobicContact CD1-CB 4.42Å; F506-V511 HydrophobicContact CD1-CG1 3.57Å; F506-V511 HydrophobicContact CE1-CG1 4.17Å; F506-V511 HydrophobicContact CG-CG1 4.27Å; H508-V511 HydrophobicContact CB-CB 4.29Å; H508-V511 HydrophobicContact CB-CG2 3.94Å; H508-V511 PolarHBondContact O-N 2.77Å; H508-V511 VanDerWaalsContact O-N 3.13Å; K509-V511 VanDerWaalsContact C-N 3.3Å; K509-V511 PolarHBondContact O-N 3.11Å; V511-R514 PolarHBondContact O-N 3.15Å; V511-H515 VanDerWaalsContact O-CB 3.31Å; V511-H515 WeakPolarHBondContact O-CB 3.47Å; V511-H515 PolarHBondContact O-N 3.13Å
512	L	81.3	Confident	75.1	Confident	15 Å²	15	69.8 Å²	69.8	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-60.8	-48.3	171	170.7	62.4	0	0	0	111.2	E498 C499 F506 H508 K509 R514 H515 Q516	E498-L512 WeakPolarHBondContact O-CD2 3.46Å; C499-L512 HydrophobicContact CB-CD1 3.47Å; C499-L512 VanDerWaalsContact CB-CD1 3.47Å; F506-L512 HydrophobicContact CB-CB 4.3Å; F506-L512 HydrophobicContact CD2-CB 3.9Å; F506-L512 HydrophobicContact CD2-CD1 3.72Å; F506-L512 HydrophobicContact CD2-CG 4.41Å; F506-L512 HydrophobicContact CE2-CD1 3.93Å; F506-L512 HydrophobicContact CG-CB 4.31Å; H508-L512 PolarHBondContact O-N 2.82Å; K509-L512 WeakPolarHBondContact O-CB 2.9Å; K509-L512 PolarHBondContact O-N 2.96Å; L512-R514 VanDerWaalsContact C-N 3.32Å; L512-R514 PolarHBondContact O-N 3.17Å; L512-H515 CarbonylContact O-C 3.56Å; L512-H515 WeakPolarHBondContact O-CA 3.33Å; L512-H515 WeakPolarHBondContact O-CB 3.4Å; L512-H515 PolarHBondContact O-N 3.25Å; L512-Q516 HydrophobicContact CD1-CG 4.06Å; L512-Q516 HydrophobicContact CG-CG 4.43Å; L512-Q516 WeakPolarHBondContact O-CG 3.31Å; L512-Q516 PolarHBondContact O-N 3.03Å
513	T	76.1	Confident	74.7	Confident	71 Å²	71	72 Å²	72	44%	0.436	38%	0.382	S	S	.	.	H	α-helix	trans	-58.2	-45.2	177.4	-57	0	0	0	0	110.8	K509 H515 Q516 I517	K509-T513 PolarHBondContact O-N 3.12Å; K509-T513 PolarHBondContact O-OG1 3.31Å; T513-H515 VanDerWaalsContact C-N 3.3Å; T513-H515 PolarHBondContact O-N 2.82Å; T513-Q516 PolarHBondContact O-N 3.3Å; T513-I517 WeakPolarHBondContact O-CG1 3.47Å; T513-I517 PolarHBondContact O-N 3.37Å
514	R	75.9	Confident	74.6	Confident	114 Å²	114	74.2 Å²	74.2	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-61	-38.2	172.5	176.4	174.5	61.2	-164.8	0.4	112.7	S510 V511 L512 I517 L536	S510-R514 WeakPolarHBondContact O-CB 3.36Å; S510-R514 PolarHBondContact O-N 3.31Å; V511-R514 PolarHBondContact O-N 3.15Å; L512-R514 VanDerWaalsContact C-N 3.32Å; L512-R514 PolarHBondContact O-N 3.17Å; R514-I517 VanDerWaalsContact O-CB 3.29Å; R514-I517 WeakPolarHBondContact O-CB 3.42Å; R514-I517 WeakPolarHBondContact O-CG1 3.44Å; R514-I517 PolarHBondContact O-N 3.08Å; R514-L536 HydrophobicContact CG-CD2 4.15Å
515	H	79.3	Confident	74.8	Confident	19 Å²	19	73.1 Å²	73.1	9%	0.088	38%	0.382	C	S	.	.	H	α-helix	trans	-68.2	-37.2	178.3	175.2	67.6	0	0	0	112.2	C499 C502 F506 V511 L512 T513 I517 I518 H519	C499-H515 VanDerWaalsContact SG-CD2 3.6Å; C502-H515 PolarHBondContact SG-NE2 3.43Å; F506-H515 HydrophobicContact CE1-CB 4.04Å; F506-H515 HydrophobicContact CE2-CB 3.82Å; F506-H515 AromaticContact CE2-CD2 3.33Å; F506-H515 WeakPolarHBondContact CE2-CD2 3.47Å; F506-H515 AromaticContact CE2-CG 3.56Å; F506-H515 HydrophobicContact CZ-CB 3.49Å; F506-H515 VanDerWaalsContact CZ-CB 3.49Å; F506-H515 AromaticContact CZ-CD2 3.33Å; F506-H515 WeakPolarHBondContact CZ-CD2 3.35Å; F506-H515 AromaticContact CZ-CG 3.14Å; F506-H515 AromaticContact CZ-ND1 3.61Å; F506-H515 AromaticContact CZ-NE2 3.86Å; V511-H515 VanDerWaalsContact O-CB 3.31Å; V511-H515 WeakPolarHBondContact O-CB 3.47Å; V511-H515 PolarHBondContact O-N 3.13Å; L512-H515 CarbonylContact O-C 3.56Å; L512-H515 WeakPolarHBondContact O-CA 3.33Å; L512-H515 WeakPolarHBondContact O-CB 3.4Å; L512-H515 PolarHBondContact O-N 3.25Å; T513-H515 VanDerWaalsContact C-N 3.3Å; T513-H515 PolarHBondContact O-N 2.82Å; H515-I517 PolarHBondContact O-N 2.89Å; H515-I518 VanDerWaalsContact O-CB 3.26Å; H515-I518 WeakPolarHBondContact O-CB 3.29Å; H515-I518 WeakPolarHBondContact O-CG1 3.37Å; H515-I518 PolarHBondContact O-N 3.18Å; H515-H519 AromaticContact CD2-NE2 3.69Å; H515-H519 AromaticContact CE1-NE2 3.69Å; H515-H519 AromaticContact NE2-CD2 3.9Å; H515-H519 AromaticContact NE2-CE1 3.84Å; H515-H519 AromaticContact NE2-NE2 3Å; H515-H519 PolarHBondContact NE2-NE2 3.48Å
516	Q	77.2	Confident	75	Confident	71 Å²	71	75.5 Å²	75.5	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-61.8	-24.3	177.2	-73	169	-34.5	0	0	112.9	L512 T513 I518 H519 T520	L512-Q516 HydrophobicContact CD1-CG 4.06Å; L512-Q516 HydrophobicContact CG-CG 4.43Å; L512-Q516 WeakPolarHBondContact O-CG 3.31Å; L512-Q516 PolarHBondContact O-N 3.03Å; T513-Q516 PolarHBondContact O-N 3.3Å; Q516-I518 PolarHBondContact O-N 3.14Å; Q516-H519 PolarHBondContact O-N 3.18Å; Q516-H519 VanDerWaalsContact O-N 3.14Å; Q516-T520 PolarHBondContact O-N 2.81Å; Q516-T520 VanDerWaalsContact O-N 3.11Å; Q516-T520 PolarHBondContact O-OG1 2.88Å; Q516-T520 VanDerWaalsContact O-OG1 3.08Å
517	I	77.4	Confident	75.3	Confident	32 Å²	32	73.9 Å²	73.9	16%	0.164	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-31.1	171.9	-53.9	-177.1	0	0	0	111.3	T513 R514 H515 H519 T520 G521 L522 C535	T513-I517 WeakPolarHBondContact O-CG1 3.47Å; T513-I517 PolarHBondContact O-N 3.37Å; R514-I517 VanDerWaalsContact O-CB 3.29Å; R514-I517 WeakPolarHBondContact O-CB 3.42Å; R514-I517 WeakPolarHBondContact O-CG1 3.44Å; R514-I517 PolarHBondContact O-N 3.08Å; H515-I517 PolarHBondContact O-N 2.89Å; I517-H519 VanDerWaalsContact C-N 3.34Å; I517-H519 PolarHBondContact O-N 3.36Å; I517-T520 WeakPolarHBondContact CA-OG1 3.45Å; I517-T520 PolarHBondContact O-OG1 3.18Å; I517-G521 PolarHBondContact O-N 3.35Å; I517-G521 VanDerWaalsContact O-N 3.14Å; I517-L522 WeakPolarHBondContact CG2-O 3.41Å; I517-C535 HydrophobicContact CG2-CB 3.8Å
518	I	72.5	Confident	75.8	Confident	117 Å²	117	81 Å²	81	60%	0.6	41%	0.411	S	S	*	.	H	α-helix	trans	-67.7	-36.2	178.6	-56.3	176	0	0	0	111.3	H515 Q516	H515-I518 VanDerWaalsContact O-CB 3.26Å; H515-I518 WeakPolarHBondContact O-CB 3.29Å; H515-I518 WeakPolarHBondContact O-CG1 3.37Å; H515-I518 PolarHBondContact O-N 3.18Å; Q516-I518 PolarHBondContact O-N 3.14Å
519	H	74	Confident	76.1	Confident	81 Å²	81	84.1 Å²	84.1	38%	0.375	43%	0.426	S	S	.	.	H	α-helix	trans	-80.9	-36.8	-178.5	-60	-55.3	0	0	0	112.5	C499 A501 C502 H515 Q516 I517 G521	C499-H519 VanDerWaalsContact SG-CD2 3.51Å; C499-H519 PolarHBondContact SG-NE2 2.99Å; C499-H519 VanDerWaalsContact SG-NE2 3.45Å; A501-H519 HydrophobicContact CB-CB 4.25Å; C502-H519 PolarHBondContact SG-NE2 3.33Å; H515-H519 AromaticContact CD2-NE2 3.69Å; H515-H519 AromaticContact CE1-NE2 3.69Å; H515-H519 AromaticContact NE2-CD2 3.9Å; H515-H519 AromaticContact NE2-CE1 3.84Å; H515-H519 AromaticContact NE2-NE2 3Å; H515-H519 PolarHBondContact NE2-NE2 3.48Å; Q516-H519 PolarHBondContact O-N 3.18Å; Q516-H519 VanDerWaalsContact O-N 3.14Å; I517-H519 VanDerWaalsContact C-N 3.34Å; I517-H519 PolarHBondContact O-N 3.36Å; H519-G521 VanDerWaalsContact C-N 3.29Å
520	T	71	Confident	76.4	Confident	86 Å²	86	79.9 Å²	79.9	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-77	-18.6	-179.8	52.6	0	0	0	0	112.5	Q516 I517 L522	Q516-T520 PolarHBondContact O-N 2.81Å; Q516-T520 VanDerWaalsContact O-N 3.11Å; Q516-T520 PolarHBondContact O-OG1 2.88Å; Q516-T520 VanDerWaalsContact O-OG1 3.08Å; I517-T520 WeakPolarHBondContact CA-OG1 3.45Å; I517-T520 PolarHBondContact O-OG1 3.18Å; T520-L522 PolarHBondContact O-N 3.03Å
521	G	65.8	Low	76.6	Confident	56 Å²	56	77.9 Å²	77.9	58%	0.577	41%	0.406	S	S	*	.			trans	66.7	-5.9	-176.9	0	0	0	0	0	114.1	I517 H519 K523	I517-G521 PolarHBondContact O-N 3.35Å; I517-G521 VanDerWaalsContact O-N 3.14Å; H519-G521 VanDerWaalsContact C-N 3.29Å; G521-K523 PolarHBondContact O-N 3.14Å; G521-K523 VanDerWaalsContact O-N 3.13Å
522	L	65.1	Low	76.6	Confident	119 Å²	119	81.8 Å²	81.8	62%	0.623	42%	0.42	S	S	*	.			trans	-65.7	112.4	176	-64	177.5	0	0	0	107.6	I517 T520 P524	I517-L522 WeakPolarHBondContact CG2-O 3.41Å; T520-L522 PolarHBondContact O-N 3.03Å; L522-P524 WeakPolarHBondContact O-CD 3.37Å
523	K	72.6	Confident	76.3	Confident	100 Å²	100	83.3 Å²	83.3	44%	0.435	43%	0.43	S	S	.	.			trans	-108.9	91.4	173.5	-74.8	170.2	161.9	-160.3	0	106.8	G521 Y525 T533 F534	G521-K523 PolarHBondContact O-N 3.14Å; G521-K523 VanDerWaalsContact O-N 3.13Å; K523-Y525 PolarHBondContact O-N 2.98Å; K523-T533 VanDerWaalsContact CB-CB 3.43Å; K523-T533 WeakPolarHBondContact CD-O 3.23Å; K523-T533 WeakPolarHBondContact CD-OG1 3.16Å; K523-T533 PolarHBondContact NZ-O 2.78Å; K523-F534 CarbonylContact C-O 3.2Å; K523-F534 WeakPolarHBondContact CA-O 3.34Å
524	P	74.9	Confident	76.5	Confident	87 Å²	87	82 Å²	82	57%	0.565	42%	0.418	S	S	*	.			trans	-67.7	-14.3	-164.7	-19.6	33.7	0	0	0	113.7	L522	L522-P524 WeakPolarHBondContact O-CD 3.37Å
525	Y	79.8	Confident	76.4	Confident	90 Å²	90	78.2 Å²	78.2	35%	0.353	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	97.6	-172.9	-56.5	-73	0	0	0	109.6	K523 T533 F534 K537	K523-Y525 PolarHBondContact O-N 2.98Å; Y525-T533 CarbonylContact O-C 3.52Å; Y525-T533 WeakPolarHBondContact O-CA 3.3Å; Y525-F534 PolarHBondContact N-O 3.23Å; Y525-F534 PolarHBondContact O-N 3.45Å; Y525-K537 HydrophobicContact CD1-CB 3.95Å; Y525-K537 HydrophobicContact CD1-CG 4.34Å; Y525-K537 HydrophobicContact CE1-CB 3.7Å; Y525-K537 HydrophobicContact CE1-CG 4.26Å; Y525-K537 HydrophobicContact CE2-CB 4.43Å; Y525-K537 HydrophobicContact CG-CB 4.42Å
526	E	81.8	Confident	76.2	Confident	103 Å²	103	79.5 Å²	79.5	48%	0.481	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.8	177.3	-173.8	173	171.6	0	0	111.6	T533	E526-T533 HydrophobicContact CB-CG2 3.98Å; E526-T533 HydrophobicContact CG-CG2 3.89Å
527	C	85.6	Confident	76.2	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	42%	0.423	C	S	.	.			trans	-86.1	112	169.1	-179.6	0	0	0	0	110.2	E529 C530 G531 K532 F534 L540 H547	C527-E529 PolarHBondContact O-N 3.42Å; C527-E529 VanDerWaalsContact O-N 3.13Å; C527-C530 PolarHBondContact O-N 2.85Å; C527-G531 WeakPolarHBondContact O-CA 3.37Å; C527-G531 PolarHBondContact O-N 3.42Å; C527-K532 WeakPolarHBondContact CB-O 3.39Å; C527-K532 PolarHBondContact N-O 2.78Å; C527-F534 HydrophobicContact CB-CE2 4.27Å; C527-L540 HydrophobicContact CB-CD1 3.58Å; C527-H547 PolarHBondContact SG-NE2 3.09Å
528	Y	82	Confident	76.1	Confident	217 Å²	217	82.9 Å²	82.9	85%	0.851	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.2	179	-63.9	-71.6	0	0	0	114.4
529	E	80.3	Confident	76.4	Confident	124 Å²	124	80.4 Å²	80.4	58%	0.579	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-24.5	-176.1	-65.1	-177.3	-138.6	0	0	114.3	C527 H547	C527-E529 PolarHBondContact O-N 3.42Å; C527-E529 VanDerWaalsContact O-N 3.13Å; E529-H547 WeakPolarHBondContact OE2-CB 3.5Å; E529-H547 IonicContact OE2-CD2 3.19Å; E529-H547 IonicContact OE2-CG 3.13Å; E529-H547 VanDerWaalsContact OE2-CG 3.25Å
530	C	80	Confident	76.8	Confident	52 Å²	52	77.4 Å²	77.4	35%	0.351	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	6.7	-177	72.2	0	0	0	0	115.1	C527 K532 H543 H547	C527-C530 PolarHBondContact O-N 2.85Å; C530-K532 PolarHBondContact O-N 3.13Å; C530-K532 VanDerWaalsContact SG-CG 3.58Å; C530-H543 PolarHBondContact SG-NE2 3.03Å; C530-H547 VanDerWaalsContact SG-CE1 3.58Å; C530-H547 PolarHBondContact SG-NE2 3.31Å; C530-H547 VanDerWaalsContact SG-NE2 3.44Å
531	G	78.8	Confident	77.2	Confident	43 Å²	43	75.5 Å²	75.5	44%	0.443	40%	0.399	S	S	.	.			trans	64.8	7.4	179.9	0	0	0	0	0	114.6	C527 T533	C527-G531 WeakPolarHBondContact O-CA 3.37Å; C527-G531 PolarHBondContact O-N 3.42Å; G531-T533 PolarHBondContact O-N 3.46Å
532	K	76.5	Confident	77.8	Confident	120 Å²	120	75.2 Å²	75.2	52%	0.522	38%	0.384	S	S	.	.			trans	-74.2	131.1	179	-72.9	178.4	-174.1	167	0	110	C527 C530 F534	C527-K532 WeakPolarHBondContact CB-O 3.39Å; C527-K532 PolarHBondContact N-O 2.78Å; C530-K532 PolarHBondContact O-N 3.13Å; C530-K532 VanDerWaalsContact SG-CG 3.58Å; K532-F534 HydrophobicContact CB-CE2 3.82Å; K532-F534 HydrophobicContact CB-CZ 4.01Å; K532-F534 WeakPolarHBondContact O-CD2 3.43Å; K532-F534 VanDerWaalsContact O-CE2 3.28Å; K532-F534 WeakPolarHBondContact O-CE2 3.35Å
533	T	76.1	Confident	78.5	Confident	48 Å²	48	70.5 Å²	70.5	29%	0.294	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.7	-177.6	55	0	0	0	0	111.6	K523 Y525 E526 G531	K523-T533 VanDerWaalsContact CB-CB 3.43Å; K523-T533 WeakPolarHBondContact CD-O 3.23Å; K523-T533 WeakPolarHBondContact CD-OG1 3.16Å; K523-T533 PolarHBondContact NZ-O 2.78Å; Y525-T533 CarbonylContact O-C 3.52Å; Y525-T533 WeakPolarHBondContact O-CA 3.3Å; E526-T533 HydrophobicContact CB-CG2 3.98Å; E526-T533 HydrophobicContact CG-CG2 3.89Å; G531-T533 PolarHBondContact O-N 3.46Å
534	F	79.3	Confident	78.9	Confident	42 Å²	42	69 Å²	69	18%	0.184	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.6	-174.3	-60.6	-89.7	0	0	0	111.6	K523 Y525 C527 K532 D539 L540 H543	K523-F534 CarbonylContact C-O 3.2Å; K523-F534 WeakPolarHBondContact CA-O 3.34Å; Y525-F534 PolarHBondContact N-O 3.23Å; Y525-F534 PolarHBondContact O-N 3.45Å; C527-F534 HydrophobicContact CB-CE2 4.27Å; K532-F534 HydrophobicContact CB-CE2 3.82Å; K532-F534 HydrophobicContact CB-CZ 4.01Å; K532-F534 WeakPolarHBondContact O-CD2 3.43Å; K532-F534 VanDerWaalsContact O-CE2 3.28Å; K532-F534 WeakPolarHBondContact O-CE2 3.35Å; F534-D539 HydrophobicContact CB-CB 4.28Å; F534-D539 HydrophobicContact CD1-CB 3.93Å; F534-D539 HydrophobicContact CG-CB 4.4Å; F534-L540 HydrophobicContact CB-CB 4.29Å; F534-L540 HydrophobicContact CD2-CB 4.03Å; F534-L540 HydrophobicContact CD2-CD1 3.81Å; F534-L540 HydrophobicContact CE2-CD1 4.07Å; F534-L540 HydrophobicContact CG-CB 4.29Å; F534-H543 HydrophobicContact CE1-CB 3.79Å; F534-H543 HydrophobicContact CE2-CB 3.83Å; F534-H543 AromaticContact CE2-CD2 3.25Å; F534-H543 WeakPolarHBondContact CE2-CD2 3.49Å; F534-H543 AromaticContact CE2-CG 3.56Å; F534-H543 HydrophobicContact CZ-CB 3.35Å; F534-H543 AromaticContact CZ-CD2 3.31Å; F534-H543 WeakPolarHBondContact CZ-CD2 3.25Å; F534-H543 AromaticContact CZ-CG 3.12Å; F534-H543 AromaticContact CZ-ND1 3.73Å; F534-H543 AromaticContact CZ-NE2 3.95Å
535	C	73.5	Confident	79.3	Confident	35 Å²	35	67.2 Å²	67.2	24%	0.236	34%	0.336	C	S	.	.	S	Bend	trans	-82.4	-20.8	179.2	-57.7	0	0	0	0	112.9	I517	I517-C535 HydrophobicContact CG2-CB 3.8Å
536	L	75.8	Confident	79.2	Confident	46 Å²	46	67.2 Å²	67.2	24%	0.241	35%	0.345	C	S	.	.	S	Bend	trans	-131.4	142.9	-177.9	-62.9	173.9	0	0	0	110.9	R514 S538 D539 L540	R514-L536 HydrophobicContact CG-CD2 4.15Å; L536-S538 VanDerWaalsContact C-N 3.27Å; L536-S538 PolarHBondContact O-N 3.06Å; L536-D539 HydrophobicContact CB-CB 4.34Å; L536-D539 PolarHBondContact O-N 2.85Å; L536-D539 VanDerWaalsContact O-N 3.14Å; L536-L540 PolarHBondContact O-N 3.22Å
537	K	77.3	Confident	79	Confident	111 Å²	111	65.5 Å²	65.5	48%	0.483	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-40.4	173.3	-169.6	177.7	179	-178.5	0	111.8	Y525 D539 L540 T541	Y525-K537 HydrophobicContact CD1-CB 3.95Å; Y525-K537 HydrophobicContact CD1-CG 4.34Å; Y525-K537 HydrophobicContact CE1-CB 3.7Å; Y525-K537 HydrophobicContact CE1-CG 4.26Å; Y525-K537 HydrophobicContact CE2-CB 4.43Å; Y525-K537 HydrophobicContact CG-CB 4.42Å; K537-D539 VanDerWaalsContact C-N 3.26Å; K537-D539 PolarHBondContact O-N 2.83Å; K537-L540 WeakPolarHBondContact O-CB 3.28Å; K537-L540 PolarHBondContact O-N 3.4Å; K537-T541 PolarHBondContact O-N 3.43Å; K537-T541 PolarHBondContact O-OG1 3.37Å; K537-T541 VanDerWaalsContact O-OG1 3.08Å
538	S	76.1	Confident	78.6	Confident	64 Å²	64	69.1 Å²	69.1	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-58.6	-38.3	177.3	56.6	0	0	0	0	112.8	L536 T541 I542	L536-S538 VanDerWaalsContact C-N 3.27Å; L536-S538 PolarHBondContact O-N 3.06Å; S538-T541 PolarHBondContact O-N 3.29Å; S538-I542 WeakPolarHBondContact O-CB 3.47Å; S538-I542 WeakPolarHBondContact O-CD1 3.39Å; S538-I542 WeakPolarHBondContact O-CG1 3.42Å; S538-I542 PolarHBondContact O-N 3.33Å
539	D	78.1	Confident	78.4	Confident	64 Å²	64	61 Å²	61	34%	0.342	34%	0.341	S	S	.	.	H	α-helix	trans	-73.1	-36.3	-179.3	-61.3	-19	0	0	0	110.7	F534 L536 K537 H543	F534-D539 HydrophobicContact CB-CB 4.28Å; F534-D539 HydrophobicContact CD1-CB 3.93Å; F534-D539 HydrophobicContact CG-CB 4.4Å; L536-D539 HydrophobicContact CB-CB 4.34Å; L536-D539 PolarHBondContact O-N 2.85Å; L536-D539 VanDerWaalsContact O-N 3.14Å; K537-D539 VanDerWaalsContact C-N 3.26Å; K537-D539 PolarHBondContact O-N 2.83Å; D539-H543 VanDerWaalsContact O-CB 3.25Å; D539-H543 WeakPolarHBondContact O-CB 3.31Å; D539-H543 PolarHBondContact O-N 3.31Å
540	L	82.4	Confident	78.2	Confident	18 Å²	18	60.4 Å²	60.4	9%	0.094	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-49	170.7	173.6	62.7	0	0	0	111.4	C527 F534 L536 K537 I542 H543 Q544	C527-L540 HydrophobicContact CB-CD1 3.58Å; F534-L540 HydrophobicContact CB-CB 4.29Å; F534-L540 HydrophobicContact CD2-CB 4.03Å; F534-L540 HydrophobicContact CD2-CD1 3.81Å; F534-L540 HydrophobicContact CE2-CD1 4.07Å; F534-L540 HydrophobicContact CG-CB 4.29Å; L536-L540 PolarHBondContact O-N 3.22Å; K537-L540 WeakPolarHBondContact O-CB 3.28Å; K537-L540 PolarHBondContact O-N 3.4Å; L540-I542 VanDerWaalsContact C-N 3.29Å; L540-I542 PolarHBondContact O-N 3.07Å; L540-H543 CarbonylContact O-C 3.58Å; L540-H543 WeakPolarHBondContact O-CA 3.25Å; L540-H543 WeakPolarHBondContact O-CB 3.45Å; L540-H543 PolarHBondContact O-N 3.19Å; L540-Q544 HydrophobicContact CD1-CG 4.18Å; L540-Q544 HydrophobicContact CG-CG 4.46Å; L540-Q544 WeakPolarHBondContact O-CG 3.49Å; L540-Q544 PolarHBondContact O-N 3.09Å
541	T	80.1	Confident	78.2	Confident	46 Å²	46	63.4 Å²	63.4	28%	0.282	35%	0.346	S	S	.	.	H	α-helix	trans	-59.2	-41.9	178.3	-55.6	0	0	0	0	111.7	K537 S538 H543 Q544	K537-T541 PolarHBondContact O-N 3.43Å; K537-T541 PolarHBondContact O-OG1 3.37Å; K537-T541 VanDerWaalsContact O-OG1 3.08Å; S538-T541 PolarHBondContact O-N 3.29Å; T541-H543 VanDerWaalsContact C-N 3.34Å; T541-Q544 PolarHBondContact O-N 3.29Å
542	I	77.3	Confident	78.3	Confident	50 Å²	50	64 Å²	64	26%	0.256	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-41.3	174.5	-73	167.5	0	0	0	111	S538 L540 R545 H564	S538-I542 WeakPolarHBondContact O-CB 3.47Å; S538-I542 WeakPolarHBondContact O-CD1 3.39Å; S538-I542 WeakPolarHBondContact O-CG1 3.42Å; S538-I542 PolarHBondContact O-N 3.33Å; L540-I542 VanDerWaalsContact C-N 3.29Å; L540-I542 PolarHBondContact O-N 3.07Å; I542-R545 WeakPolarHBondContact O-CB 3.2Å; I542-R545 PolarHBondContact O-N 3.4Å; I542-H564 WeakPolarHBondContact CG2-CE1 3.46Å; I542-H564 WeakPolarHBondContact CG2-NE2 3.39Å
543	H	80.8	Confident	78.6	Confident	21 Å²	21	60.6 Å²	60.6	10%	0.097	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-37.5	177.7	170.9	61.3	0	0	0	112.6	C530 F534 D539 L540 T541 R545 T546 H547	C530-H543 PolarHBondContact SG-NE2 3.03Å; F534-H543 HydrophobicContact CE1-CB 3.79Å; F534-H543 HydrophobicContact CE2-CB 3.83Å; F534-H543 AromaticContact CE2-CD2 3.25Å; F534-H543 WeakPolarHBondContact CE2-CD2 3.49Å; F534-H543 AromaticContact CE2-CG 3.56Å; F534-H543 HydrophobicContact CZ-CB 3.35Å; F534-H543 AromaticContact CZ-CD2 3.31Å; F534-H543 WeakPolarHBondContact CZ-CD2 3.25Å; F534-H543 AromaticContact CZ-CG 3.12Å; F534-H543 AromaticContact CZ-ND1 3.73Å; F534-H543 AromaticContact CZ-NE2 3.95Å; D539-H543 VanDerWaalsContact O-CB 3.25Å; D539-H543 WeakPolarHBondContact O-CB 3.31Å; D539-H543 PolarHBondContact O-N 3.31Å; L540-H543 CarbonylContact O-C 3.58Å; L540-H543 WeakPolarHBondContact O-CA 3.25Å; L540-H543 WeakPolarHBondContact O-CB 3.45Å; L540-H543 PolarHBondContact O-N 3.19Å; T541-H543 VanDerWaalsContact C-N 3.34Å; H543-R545 PolarHBondContact O-N 3.38Å; H543-T546 PolarHBondContact CE1-OG1 3.15Å; H543-T546 PolarHBondContact ND1-OG1 2.78Å; H543-T546 VanDerWaalsContact O-CB 3.3Å; H543-T546 WeakPolarHBondContact O-CB 3.41Å; H543-T546 WeakPolarHBondContact O-CG2 3.46Å; H543-T546 PolarHBondContact O-N 3.46Å; H543-T546 PolarHBondContact O-OG1 3.32Å; H543-H547 AromaticContact CD2-NE2 3.91Å; H543-H547 AromaticContact CE1-CE1 3.9Å; H543-H547 AromaticContact CE1-NE2 3.55Å; H543-H547 AromaticContact NE2-CE1 3.82Å; H543-H547 AromaticContact NE2-NE2 3.11Å; H543-H547 PolarHBondContact NE2-NE2 3.44Å; H543-H547 VanDerWaalsContact NE2-NE2 3.11Å
544	Q	80.2	Confident	79	Confident	68 Å²	68	60.5 Å²	60.5	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-57.5	-31	176.5	-75.9	171.6	-43.2	0	0	112.2	L540 T541 T546 H547 T548	L540-Q544 HydrophobicContact CD1-CG 4.18Å; L540-Q544 HydrophobicContact CG-CG 4.46Å; L540-Q544 WeakPolarHBondContact O-CG 3.49Å; L540-Q544 PolarHBondContact O-N 3.09Å; T541-Q544 PolarHBondContact O-N 3.29Å; Q544-T546 PolarHBondContact O-N 3.06Å; Q544-T546 VanDerWaalsContact O-N 3.09Å; Q544-H547 PolarHBondContact O-N 3.09Å; Q544-T548 PolarHBondContact O-N 3.19Å; Q544-T548 VanDerWaalsContact O-N 3.14Å
545	R	82.9	Confident	79.2	Confident	50 Å²	50	58.5 Å²	58.5	19%	0.189	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-19.9	172.4	-60.1	177.8	-176.7	165	2	114.1	I542 H543 H547 T548 G549 E550 S563	I542-R545 WeakPolarHBondContact O-CB 3.2Å; I542-R545 PolarHBondContact O-N 3.4Å; H543-R545 PolarHBondContact O-N 3.38Å; R545-H547 VanDerWaalsContact C-N 3.3Å; R545-T548 WeakPolarHBondContact CA-OG1 3.04Å; R545-G549 WeakPolarHBondContact O-CA 3.47Å; R545-G549 PolarHBondContact O-N 3.22Å; R545-E550 HydrophobicContact CB-CB 4.44Å; R545-E550 HydrophobicContact CG-CB 4.33Å; R545-E550 PolarHBondContact O-N 2.84Å; R545-S563 PolarHBondContact NH1-O 3.1Å
546	T	78.1	Confident	79.5	Confident	90 Å²	90	62.1 Å²	62.1	55%	0.552	35%	0.345	S	S	*	.	H	α-helix	trans	-74.5	-23.6	175.4	67	0	0	0	0	112.8	H543 Q544	H543-T546 PolarHBondContact CE1-OG1 3.15Å; H543-T546 PolarHBondContact ND1-OG1 2.78Å; H543-T546 VanDerWaalsContact O-CB 3.3Å; H543-T546 WeakPolarHBondContact O-CB 3.41Å; H543-T546 WeakPolarHBondContact O-CG2 3.46Å; H543-T546 PolarHBondContact O-N 3.46Å; H543-T546 PolarHBondContact O-OG1 3.32Å; Q544-T546 PolarHBondContact O-N 3.06Å; Q544-T546 VanDerWaalsContact O-N 3.09Å
547	H	78.7	Confident	79.7	Confident	67 Å²	67	65.9 Å²	65.9	31%	0.31	36%	0.361	S	S	.	.	H	α-helix	trans	-92.1	-43.6	176.2	-51.7	-57.7	0	0	0	111.9	C527 E529 C530 H543 Q544 R545 G549	C527-H547 PolarHBondContact SG-NE2 3.09Å; E529-H547 WeakPolarHBondContact OE2-CB 3.5Å; E529-H547 IonicContact OE2-CD2 3.19Å; E529-H547 IonicContact OE2-CG 3.13Å; E529-H547 VanDerWaalsContact OE2-CG 3.25Å; C530-H547 VanDerWaalsContact SG-CE1 3.58Å; C530-H547 PolarHBondContact SG-NE2 3.31Å; C530-H547 VanDerWaalsContact SG-NE2 3.44Å; H543-H547 AromaticContact CD2-NE2 3.91Å; H543-H547 AromaticContact CE1-CE1 3.9Å; H543-H547 AromaticContact CE1-NE2 3.55Å; H543-H547 AromaticContact NE2-CE1 3.82Å; H543-H547 AromaticContact NE2-NE2 3.11Å; H543-H547 PolarHBondContact NE2-NE2 3.44Å; H543-H547 VanDerWaalsContact NE2-NE2 3.11Å; Q544-H547 PolarHBondContact O-N 3.09Å; R545-H547 VanDerWaalsContact C-N 3.3Å; H547-G549 PolarHBondContact O-N 2.61Å
548	T	77.4	Confident	79.8	Confident	75 Å²	75	62.9 Å²	62.9	46%	0.46	35%	0.354	S	S	.	.	H	α-helix	trans	-72.1	-16.6	177.2	63.8	0	0	0	0	112.9	Q544 R545 E550	Q544-T548 PolarHBondContact O-N 3.19Å; Q544-T548 VanDerWaalsContact O-N 3.14Å; R545-T548 WeakPolarHBondContact CA-OG1 3.04Å; T548-E550 PolarHBondContact O-N 3.06Å; T548-E550 WeakPolarHBondContact OG1-CG 3.33Å; T548-E550 PolarHBondContact OG1-N 3.44Å
549	G	76.6	Confident	79.9	Confident	47 Å²	47	61.9 Å²	61.9	49%	0.485	35%	0.354	S	S	.	.			trans	71	5.8	-175.8	0	0	0	0	0	113.7	R545 H547 K551	R545-G549 WeakPolarHBondContact O-CA 3.47Å; R545-G549 PolarHBondContact O-N 3.22Å; H547-G549 PolarHBondContact O-N 2.61Å; G549-K551 PolarHBondContact O-N 3.06Å
550	E	75.6	Confident	79.9	Confident	111 Å²	111	64.9 Å²	64.9	52%	0.519	36%	0.364	S	S	.	.			trans	-59.9	124.6	179.1	-76.8	176.7	-160.1	0	0	111.2	R545 T548	R545-E550 HydrophobicContact CB-CB 4.44Å; R545-E550 HydrophobicContact CG-CB 4.33Å; R545-E550 PolarHBondContact O-N 2.84Å; T548-E550 PolarHBondContact O-N 3.06Å; T548-E550 WeakPolarHBondContact OG1-CG 3.33Å; T548-E550 PolarHBondContact OG1-N 3.44Å
551	K	80.4	Confident	79.7	Confident	116 Å²	116	69.9 Å²	69.9	50%	0.504	39%	0.385	S	S	.	.			trans	-125.9	79.9	175.7	-67.8	173.5	-176.5	177	0	108.9	G549 F553 F561 F562	G549-K551 PolarHBondContact O-N 3.06Å; K551-F553 PolarHBondContact O-N 3.3Å; K551-F553 VanDerWaalsContact O-N 3.08Å; K551-F561 HydrophobicContact CB-CB 3.45Å; K551-F561 VanDerWaalsContact CB-CB 3.45Å; K551-F561 HydrophobicContact CD-CB 4.03Å; K551-F561 WeakPolarHBondContact CD-O 3.37Å; K551-F561 HydrophobicContact CG-CB 4.41Å; K551-F561 VanDerWaalsContact O-CD1 3.31Å; K551-F561 WeakPolarHBondContact O-CD1 3.45Å; K551-F562 CarbonylContact C-O 3.37Å; K551-F562 VanDerWaalsContact C-O 3.28Å; K551-F562 WeakPolarHBondContact CA-O 3.29Å
552	P	81.5	Confident	79.8	Confident	54 Å²	54	69.6 Å²	69.6	35%	0.351	38%	0.38	S	S	.	.			trans	-66.3	-16.2	-170.2	-21.7	33.9	0	0	0	114.2
553	F	82.8	Confident	79.7	Confident	50 Å²	50	69 Å²	69	22%	0.219	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	96.3	-171.9	-56	-72	0	0	0	110.4	K551 F561 F562 S563 H564 K565 L568	K551-F553 PolarHBondContact O-N 3.3Å; K551-F553 VanDerWaalsContact O-N 3.08Å; F553-F561 CarbonylContact O-C 3.53Å; F553-F561 WeakPolarHBondContact O-CA 3.34Å; F553-F562 HydrophobicContact CB-CB 4.35Å; F553-F562 WeakPolarHBondContact CB-O 3.43Å; F553-F562 WeakPolarHBondContact CD2-O 3.37Å; F553-F562 PolarHBondContact N-O 3.31Å; F553-F562 VanDerWaalsContact N-O 3.13Å; F553-F562 PolarHBondContact O-N 2.77Å; F553-S563 WeakPolarHBondContact CE2-O 3.5Å; F553-H564 VanDerWaalsContact CD2-C 3.42Å; F553-K565 HydrophobicContact CD1-CB 4.26Å; F553-K565 HydrophobicContact CE1-CB 4.05Å; F553-K565 HydrophobicContact CZ-CB 4.19Å; F553-L568 HydrophobicContact CB-CB 4.16Å; F553-L568 HydrophobicContact CB-CD2 3.8Å
554	A	83.8	Confident	79.5	Confident	45 Å²	45	71.2 Å²	71.2	37%	0.372	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.6	174.1	0	0	0	0	0	111.5	F561 L568	A554-F561 HydrophobicContact CB-CD1 3.71Å; A554-F561 HydrophobicContact CB-CE1 3.57Å; A554-F561 HydrophobicContact CB-CZ 4.26Å; A554-L568 WeakPolarHBondContact O-CD2 3.46Å
555	C	84.7	Confident	79.3	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.007	41%	0.408	C	S	.	.			trans	-84.6	122.1	167.2	-176.8	0	0	0	0	110	E557 C558 G559 K560 F562 L568 H575	C555-E557 VanDerWaalsContact C-N 3.28Å; C555-E557 PolarHBondContact O-N 3.08Å; C555-C558 VanDerWaalsContact SG-SG 3.65Å; C555-G559 WeakPolarHBondContact O-CA 3.32Å; C555-G559 PolarHBondContact O-N 3.18Å; C555-K560 WeakPolarHBondContact CB-O 3.29Å; C555-K560 PolarHBondContact N-O 3.46Å; C555-F562 HydrophobicContact CB-CE2 4.15Å; C555-L568 HydrophobicContact CB-CD1 3.63Å; C555-H575 PolarHBondContact SG-CD2 3.24Å; C555-H575 PolarHBondContact SG-NE2 3.21Å
556	P	79.1	Confident	79	Confident	111 Å²	111	76.9 Å²	76.9	72%	0.721	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-35.4	-179.3	-24	33.6	0	0	0	113.6
557	E	79.3	Confident	79	Confident	124 Å²	124	74.9 Å²	74.9	58%	0.579	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-31.7	-172.5	-59.9	-63	156.3	0	0	114.3	C555 Y572 H575	C555-E557 VanDerWaalsContact C-N 3.28Å; C555-E557 PolarHBondContact O-N 3.08Å; E557-Y572 HydrophobicContact CG-CE2 3.78Å; E557-H575 HydrophobicContact CB-CB 4.39Å; E557-H575 HydrophobicContact CG-CB 4.14Å
558	C	79.6	Confident	79.2	Confident	48 Å²	48	73 Å²	73	32%	0.324	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	2.9	-171.2	73	0	0	0	0	114.2	C555 K560 H571 H575	C555-C558 VanDerWaalsContact SG-SG 3.65Å; C558-K560 PolarHBondContact O-N 3.46Å; C558-K560 VanDerWaalsContact SG-CB 3.56Å; C558-K560 VanDerWaalsContact SG-CG 3.58Å; C558-H571 PolarHBondContact SG-NE2 3.09Å; C558-H575 PolarHBondContact SG-NE2 3.1Å
559	G	78.8	Confident	79.3	Confident	44 Å²	44	72.5 Å²	72.5	45%	0.454	41%	0.405	S	S	.	.			trans	63.8	6.3	-179.1	0	0	0	0	0	114.9	C555 F561	C555-G559 WeakPolarHBondContact O-CA 3.32Å; C555-G559 PolarHBondContact O-N 3.18Å; G559-F561 WeakPolarHBondContact O-CD2 3.46Å; G559-F561 VanDerWaalsContact O-CE2 3.25Å; G559-F561 WeakPolarHBondContact O-CE2 3.37Å; G559-F561 PolarHBondContact O-N 3Å
560	K	77.7	Confident	79.3	Confident	126 Å²	126	73 Å²	73	55%	0.548	40%	0.395	S	S	.	.			trans	-72.3	130.6	179	-71.3	179.2	-177.6	172.4	0	110.3	C555 C558 F562	C555-K560 WeakPolarHBondContact CB-O 3.29Å; C555-K560 PolarHBondContact N-O 3.46Å; C558-K560 PolarHBondContact O-N 3.46Å; C558-K560 VanDerWaalsContact SG-CB 3.56Å; C558-K560 VanDerWaalsContact SG-CG 3.58Å; K560-F562 HydrophobicContact CB-CE2 3.78Å; K560-F562 HydrophobicContact CB-CZ 4.02Å; K560-F562 WeakPolarHBondContact O-CD2 3.45Å; K560-F562 VanDerWaalsContact O-CE2 3.26Å; K560-F562 WeakPolarHBondContact O-CE2 3.49Å
561	F	79.4	Confident	79.6	Confident	123 Å²	123	69 Å²	69	54%	0.539	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	143.6	178	-63.7	-93.8	0	0	0	111.9	K551 F553 A554 G559	K551-F561 HydrophobicContact CB-CB 3.45Å; K551-F561 VanDerWaalsContact CB-CB 3.45Å; K551-F561 HydrophobicContact CD-CB 4.03Å; K551-F561 WeakPolarHBondContact CD-O 3.37Å; K551-F561 HydrophobicContact CG-CB 4.41Å; K551-F561 VanDerWaalsContact O-CD1 3.31Å; K551-F561 WeakPolarHBondContact O-CD1 3.45Å; F553-F561 CarbonylContact O-C 3.53Å; F553-F561 WeakPolarHBondContact O-CA 3.34Å; A554-F561 HydrophobicContact CB-CD1 3.71Å; A554-F561 HydrophobicContact CB-CE1 3.57Å; A554-F561 HydrophobicContact CB-CZ 4.26Å; G559-F561 WeakPolarHBondContact O-CD2 3.46Å; G559-F561 VanDerWaalsContact O-CE2 3.25Å; G559-F561 WeakPolarHBondContact O-CE2 3.37Å; G559-F561 PolarHBondContact O-N 3Å
562	F	81.1	Confident	79.4	Confident	41 Å²	41	67.9 Å²	67.9	18%	0.18	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.9	179.9	-62.1	-89.3	0	0	0	111.1	K551 F553 C555 K560 L568 H571	K551-F562 CarbonylContact C-O 3.37Å; K551-F562 VanDerWaalsContact C-O 3.28Å; K551-F562 WeakPolarHBondContact CA-O 3.29Å; F553-F562 HydrophobicContact CB-CB 4.35Å; F553-F562 WeakPolarHBondContact CB-O 3.43Å; F553-F562 WeakPolarHBondContact CD2-O 3.37Å; F553-F562 PolarHBondContact N-O 3.31Å; F553-F562 VanDerWaalsContact N-O 3.13Å; F553-F562 PolarHBondContact O-N 2.77Å; C555-F562 HydrophobicContact CB-CE2 4.15Å; K560-F562 HydrophobicContact CB-CE2 3.78Å; K560-F562 HydrophobicContact CB-CZ 4.02Å; K560-F562 WeakPolarHBondContact O-CD2 3.45Å; K560-F562 VanDerWaalsContact O-CE2 3.26Å; K560-F562 WeakPolarHBondContact O-CE2 3.49Å; F562-L568 HydrophobicContact CB-CB 4.13Å; F562-L568 HydrophobicContact CD2-CB 4.03Å; F562-L568 HydrophobicContact CD2-CD1 3.69Å; F562-L568 HydrophobicContact CD2-CG 4.46Å; F562-L568 HydrophobicContact CE2-CD1 4Å; F562-L568 HydrophobicContact CG-CB 4.18Å; F562-H571 HydrophobicContact CE1-CB 3.77Å; F562-H571 AromaticContact CE1-CG 3.98Å; F562-H571 HydrophobicContact CE2-CB 3.94Å; F562-H571 AromaticContact CE2-CD2 3.23Å; F562-H571 WeakPolarHBondContact CE2-CD2 3.3Å; F562-H571 AromaticContact CE2-CG 3.67Å; F562-H571 HydrophobicContact CZ-CB 3.4Å; F562-H571 VanDerWaalsContact CZ-CB 3.4Å; F562-H571 AromaticContact CZ-CD2 3.19Å; F562-H571 WeakPolarHBondContact CZ-CD2 3.46Å; F562-H571 AromaticContact CZ-CG 3.15Å; F562-H571 AromaticContact CZ-ND1 3.86Å; F562-H571 AromaticContact CZ-NE2 3.86Å
563	S	75.4	Confident	79.3	Confident	38 Å²	38	68.4 Å²	68.4	27%	0.266	36%	0.364	S	S	.	.	S	Bend	trans	-81	-21.1	178.3	48	0	0	0	0	113.2	R545 F553	R545-S563 PolarHBondContact NH1-O 3.1Å; F553-S563 WeakPolarHBondContact CE2-O 3.5Å
564	H	76.6	Confident	78.9	Confident	66 Å²	66	70 Å²	70	31%	0.306	38%	0.378	S	S	.	.	S	Bend	trans	-128.1	145.1	179.6	-62.2	-144.1	0	0	0	112	I542 F553 S566 T567 L568	I542-H564 WeakPolarHBondContact CG2-CE1 3.46Å; I542-H564 WeakPolarHBondContact CG2-NE2 3.39Å; F553-H564 VanDerWaalsContact CD2-C 3.42Å; H564-S566 VanDerWaalsContact C-N 3.32Å; H564-S566 PolarHBondContact O-N 3.23Å; H564-T567 HydrophobicContact CB-CG2 4.22Å; H564-T567 WeakPolarHBondContact CB-OG1 3.35Å; H564-T567 PolarHBondContact N-OG1 3.21Å; H564-T567 PolarHBondContact O-N 3.13Å; H564-T567 PolarHBondContact O-OG1 3.05Å; H564-L568 PolarHBondContact O-N 3.2Å
565	K	76	Confident	78.6	Confident	157 Å²	157	71.4 Å²	71.4	68%	0.683	38%	0.377	S	S	*	.	H	α-helix	trans	-63.2	-35.7	172.7	-172.9	175.1	-178.3	175.6	0	112.7	F553 L568 S569	F553-K565 HydrophobicContact CD1-CB 4.26Å; F553-K565 HydrophobicContact CE1-CB 4.05Å; F553-K565 HydrophobicContact CZ-CB 4.19Å; K565-L568 PolarHBondContact O-N 3.06Å; K565-S569 WeakPolarHBondContact O-CB 2.88Å; K565-S569 PolarHBondContact O-N 2.94Å
566	S	75.8	Confident	78.1	Confident	81 Å²	81	74.3 Å²	74.3	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-65.1	-39.8	177.2	53.2	0	0	0	0	112.2	H564 S569 Q570	H564-S566 VanDerWaalsContact C-N 3.32Å; H564-S566 PolarHBondContact O-N 3.23Å; S566-S569 PolarHBondContact O-N 3.45Å; S566-Q570 VanDerWaalsContact O-CB 3.29Å; S566-Q570 WeakPolarHBondContact O-CB 3.47Å; S566-Q570 PolarHBondContact O-N 3.16Å
567	T	78.5	Confident	77.6	Confident	48 Å²	48	71.3 Å²	71.3	29%	0.294	38%	0.384	S	S	.	.	H	α-helix	trans	-70.7	-35.9	176	53.1	0	0	0	0	112	H564 H571	H564-T567 HydrophobicContact CB-CG2 4.22Å; H564-T567 WeakPolarHBondContact CB-OG1 3.35Å; H564-T567 PolarHBondContact N-OG1 3.21Å; H564-T567 PolarHBondContact O-N 3.13Å; H564-T567 PolarHBondContact O-OG1 3.05Å; T567-H571 WeakPolarHBondContact O-CB 3.46Å; T567-H571 PolarHBondContact O-N 3.46Å
568	L	83.2	Confident	77	Confident	28 Å²	28	71.1 Å²	71.1	15%	0.147	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-49.6	171.2	170.8	62	0	0	0	110.8	F553 A554 C555 F562 H564 K565 Q570 H571 Y572	F553-L568 HydrophobicContact CB-CB 4.16Å; F553-L568 HydrophobicContact CB-CD2 3.8Å; A554-L568 WeakPolarHBondContact O-CD2 3.46Å; C555-L568 HydrophobicContact CB-CD1 3.63Å; F562-L568 HydrophobicContact CB-CB 4.13Å; F562-L568 HydrophobicContact CD2-CB 4.03Å; F562-L568 HydrophobicContact CD2-CD1 3.69Å; F562-L568 HydrophobicContact CD2-CG 4.46Å; F562-L568 HydrophobicContact CE2-CD1 4Å; F562-L568 HydrophobicContact CG-CB 4.18Å; H564-L568 PolarHBondContact O-N 3.2Å; K565-L568 PolarHBondContact O-N 3.06Å; L568-Q570 VanDerWaalsContact C-N 3.26Å; L568-Q570 PolarHBondContact O-N 3.17Å; L568-H571 CarbonylContact O-C 3.35Å; L568-H571 WeakPolarHBondContact O-CA 3.16Å; L568-H571 WeakPolarHBondContact O-CB 3.38Å; L568-H571 PolarHBondContact O-N 3.06Å; L568-Y572 WeakPolarHBondContact O-CB 3.35Å; L568-Y572 PolarHBondContact O-N 3.07Å
569	S	79.7	Confident	76.3	Confident	63 Å²	63	74.6 Å²	74.6	44%	0.441	39%	0.392	S	S	.	.	H	α-helix	trans	-59.4	-39.7	178.7	175.8	0	0	0	0	111.7	K565 S566 Y572 R573	K565-S569 WeakPolarHBondContact O-CB 2.88Å; K565-S569 PolarHBondContact O-N 2.94Å; S566-S569 PolarHBondContact O-N 3.45Å; S569-Y572 PolarHBondContact O-N 3.17Å; S569-R573 PolarHBondContact O-N 3.26Å
570	Q	76.6	Confident	76.2	Confident	58 Å²	58	76.1 Å²	76.1	27%	0.271	40%	0.395	S	S	.	.	H	α-helix	trans	-64.4	-43	173.2	-174.9	-167.5	-30.6	0	0	112.4	S566 L568 Y572 R573 Y591 N592	S566-Q570 VanDerWaalsContact O-CB 3.29Å; S566-Q570 WeakPolarHBondContact O-CB 3.47Å; S566-Q570 PolarHBondContact O-N 3.16Å; L568-Q570 VanDerWaalsContact C-N 3.26Å; L568-Q570 PolarHBondContact O-N 3.17Å; Q570-Y572 VanDerWaalsContact C-N 3.33Å; Q570-R573 WeakPolarHBondContact O-CB 3.3Å; Q570-R573 PolarHBondContact O-N 2.84Å; Q570-Y591 HydrophobicContact CG-CD2 4.2Å; Q570-Y591 VanDerWaalsContact NE2-CE2 3.3Å; Q570-N592 WeakPolarHBondContact CG-OD1 3.38Å; Q570-N592 PolarHBondContact NE2-ND2 3.23Å; Q570-N592 PolarHBondContact NE2-OD1 2.83Å; Q570-N592 PolarHBondContact OE1-ND2 3.3Å
571	H	81.8	Confident	76.1	Confident	27 Å²	27	73.7 Å²	73.7	13%	0.125	38%	0.383	C	S	.	.	H	α-helix	trans	-65.3	-38.2	176	172	58.1	0	0	0	111.7	C558 F562 T567 L568 R573 T574 H575	C558-H571 PolarHBondContact SG-NE2 3.09Å; F562-H571 HydrophobicContact CE1-CB 3.77Å; F562-H571 AromaticContact CE1-CG 3.98Å; F562-H571 HydrophobicContact CE2-CB 3.94Å; F562-H571 AromaticContact CE2-CD2 3.23Å; F562-H571 WeakPolarHBondContact CE2-CD2 3.3Å; F562-H571 AromaticContact CE2-CG 3.67Å; F562-H571 HydrophobicContact CZ-CB 3.4Å; F562-H571 VanDerWaalsContact CZ-CB 3.4Å; F562-H571 AromaticContact CZ-CD2 3.19Å; F562-H571 WeakPolarHBondContact CZ-CD2 3.46Å; F562-H571 AromaticContact CZ-CG 3.15Å; F562-H571 AromaticContact CZ-ND1 3.86Å; F562-H571 AromaticContact CZ-NE2 3.86Å; T567-H571 WeakPolarHBondContact O-CB 3.46Å; T567-H571 PolarHBondContact O-N 3.46Å; L568-H571 CarbonylContact O-C 3.35Å; L568-H571 WeakPolarHBondContact O-CA 3.16Å; L568-H571 WeakPolarHBondContact O-CB 3.38Å; L568-H571 PolarHBondContact O-N 3.06Å; H571-R573 PolarHBondContact O-N 2.94Å; H571-R573 VanDerWaalsContact O-N 3.13Å; H571-T574 PolarHBondContact CE1-OG1 2.86Å; H571-T574 PolarHBondContact ND1-OG1 3.37Å; H571-T574 WeakPolarHBondContact O-CB 3.45Å; H571-T574 PolarHBondContact O-N 3.38Å; H571-T574 PolarHBondContact O-OG1 3.27Å; H571-H575 AromaticContact CD2-NE2 3.86Å; H571-H575 AromaticContact CE1-CE1 3.96Å; H571-H575 AromaticContact CE1-NE2 3.6Å; H571-H575 AromaticContact NE2-CD2 3.98Å; H571-H575 AromaticContact NE2-CE1 3.81Å; H571-H575 AromaticContact NE2-NE2 3.09Å; H571-H575 PolarHBondContact NE2-NE2 2.97Å
572	Y	76.3	Confident	76.1	Confident	92 Å²	92	72.8 Å²	72.8	36%	0.361	38%	0.38	S	S	.	.	H	α-helix	trans	-58.3	-30.4	179.9	-162.4	-106.3	0	0	0	112.1	E557 L568 S569 Q570 T574 H575 T576	E557-Y572 HydrophobicContact CG-CE2 3.78Å; L568-Y572 WeakPolarHBondContact O-CB 3.35Å; L568-Y572 PolarHBondContact O-N 3.07Å; S569-Y572 PolarHBondContact O-N 3.17Å; Q570-Y572 VanDerWaalsContact C-N 3.33Å; Y572-T574 PolarHBondContact O-N 3.31Å; Y572-T574 VanDerWaalsContact O-N 3.15Å; Y572-H575 WeakPolarHBondContact O-CB 3.41Å; Y572-H575 PolarHBondContact O-N 3.17Å; Y572-T576 HydrophobicContact CD1-CG2 3.72Å; Y572-T576 HydrophobicContact CE1-CG2 3.47Å; Y572-T576 VanDerWaalsContact CE1-CG2 3.47Å; Y572-T576 PolarHBondContact O-N 2.79Å; Y572-T576 VanDerWaalsContact O-N 3.11Å
573	R	79.1	Confident	76.2	Confident	66 Å²	66	71 Å²	71	25%	0.249	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-20.2	171.6	-62.7	179.6	-175.6	164.8	3	114.5	S569 Q570 H571 H575 T576 G577 Y591	S569-R573 PolarHBondContact O-N 3.26Å; Q570-R573 WeakPolarHBondContact O-CB 3.3Å; Q570-R573 PolarHBondContact O-N 2.84Å; H571-R573 PolarHBondContact O-N 2.94Å; H571-R573 VanDerWaalsContact O-N 3.13Å; R573-H575 VanDerWaalsContact C-N 3.3Å; R573-T576 WeakPolarHBondContact CA-OG1 3.36Å; R573-G577 PolarHBondContact O-N 3.09Å; R573-G577 VanDerWaalsContact O-N 3.17Å; R573-Y591 PolarHBondContact NH1-O 2.76Å; R573-Y591 VanDerWaalsContact NH1-O 3.08Å
574	T	75.4	Confident	76.2	Confident	83 Å²	83	77.7 Å²	77.7	51%	0.509	40%	0.399	S	S	.	.	H	α-helix	trans	-75.3	-22.9	174	69.5	0	0	0	0	112.5	H571 Y572	H571-T574 PolarHBondContact CE1-OG1 2.86Å; H571-T574 PolarHBondContact ND1-OG1 3.37Å; H571-T574 WeakPolarHBondContact O-CB 3.45Å; H571-T574 PolarHBondContact O-N 3.38Å; H571-T574 PolarHBondContact O-OG1 3.27Å; Y572-T574 PolarHBondContact O-N 3.31Å; Y572-T574 VanDerWaalsContact O-N 3.15Å
575	H	76.6	Confident	76.2	Confident	75 Å²	75	80.6 Å²	80.6	35%	0.347	41%	0.413	S	S	.	.	H	α-helix	trans	-88.6	-44.3	176.1	-58.2	-50	0	0	0	111.2	C555 E557 C558 H571 Y572 R573 G577	C555-H575 PolarHBondContact SG-CD2 3.24Å; C555-H575 PolarHBondContact SG-NE2 3.21Å; E557-H575 HydrophobicContact CB-CB 4.39Å; E557-H575 HydrophobicContact CG-CB 4.14Å; C558-H575 PolarHBondContact SG-NE2 3.1Å; H571-H575 AromaticContact CD2-NE2 3.86Å; H571-H575 AromaticContact CE1-CE1 3.96Å; H571-H575 AromaticContact CE1-NE2 3.6Å; H571-H575 AromaticContact NE2-CD2 3.98Å; H571-H575 AromaticContact NE2-CE1 3.81Å; H571-H575 AromaticContact NE2-NE2 3.09Å; H571-H575 PolarHBondContact NE2-NE2 2.97Å; Y572-H575 WeakPolarHBondContact O-CB 3.41Å; Y572-H575 PolarHBondContact O-N 3.17Å; R573-H575 VanDerWaalsContact C-N 3.3Å; H575-G577 PolarHBondContact O-N 3.01Å
576	T	73.5	Confident	76.4	Confident	62 Å²	62	75.7 Å²	75.7	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-73.5	-14	179.3	63.4	0	0	0	0	113.4	Y572 R573 E578	Y572-T576 HydrophobicContact CD1-CG2 3.72Å; Y572-T576 HydrophobicContact CE1-CG2 3.47Å; Y572-T576 VanDerWaalsContact CE1-CG2 3.47Å; Y572-T576 PolarHBondContact O-N 2.79Å; Y572-T576 VanDerWaalsContact O-N 3.11Å; R573-T576 WeakPolarHBondContact CA-OG1 3.36Å; T576-E578 PolarHBondContact O-N 3.48Å; T576-E578 VanDerWaalsContact O-N 3.12Å
577	G	68.6	Low	76.4	Confident	48 Å²	48	73.6 Å²	73.6	50%	0.495	39%	0.389	S	S	.	.			trans	70.4	1.9	-177.4	0	0	0	0	0	114.2	R573 H575 K579	R573-G577 PolarHBondContact O-N 3.09Å; R573-G577 VanDerWaalsContact O-N 3.17Å; H575-G577 PolarHBondContact O-N 3.01Å; G577-K579 PolarHBondContact O-N 3.34Å; G577-K579 VanDerWaalsContact O-N 3.12Å
578	E	68.3	Low	76.2	Confident	119 Å²	119	77.3 Å²	77.3	56%	0.556	40%	0.401	S	S	*	.			trans	-62.7	113.2	176.3	-70.1	-177.1	172.8	0	0	110.2	T576 P580	T576-E578 PolarHBondContact O-N 3.48Å; T576-E578 VanDerWaalsContact O-N 3.12Å; E578-P580 WeakPolarHBondContact O-CD 3.49Å
579	K	64.6	Low	75.6	Confident	121 Å²	121	80 Å²	80	53%	0.526	42%	0.415	S	S	.	.			trans	-119.7	85.2	175.4	-64.5	177.4	-173.5	169.4	0	109.1	G577 Y581 I589	G577-K579 PolarHBondContact O-N 3.34Å; G577-K579 VanDerWaalsContact O-N 3.12Å; K579-Y581 PolarHBondContact O-N 3.36Å; K579-I589 HydrophobicContact CB-CB 3.9Å; K579-I589 HydrophobicContact CB-CG2 3.31Å; K579-I589 HydrophobicContact CD-CB 3.92Å; K579-I589 HydrophobicContact CD-CG2 4.28Å; K579-I589 HydrophobicContact CG-CG2 4.44Å; K579-I589 WeakPolarHBondContact O-CG2 3.23Å
580	P	75.2	Confident	75.5	Confident	77 Å²	77	78.8 Å²	78.8	50%	0.5	40%	0.402	S	S	.	.			trans	-74.2	-8.9	-170.6	-17.7	32.1	0	0	0	114.5	E578	E578-P580 WeakPolarHBondContact O-CD 3.49Å
581	Y	77.2	Confident	75.2	Confident	75 Å²	75	80 Å²	80	29%	0.294	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	90.3	-168.5	-56.6	-77.9	0	0	0	110.5	K579 F590 K593	K579-Y581 PolarHBondContact O-N 3.36Å; Y581-F590 WeakPolarHBondContact CB-O 3.37Å; Y581-F590 PolarHBondContact N-O 3.45Å; Y581-F590 PolarHBondContact O-N 3.21Å; Y581-K593 HydrophobicContact CD1-CB 3.94Å; Y581-K593 HydrophobicContact CD1-CG 4.48Å; Y581-K593 HydrophobicContact CE1-CB 3.71Å; Y581-K593 HydrophobicContact CE1-CG 4.38Å; Y581-K593 HydrophobicContact CG-CB 4.49Å
582	E	78.2	Confident	74.8	Confident	103 Å²	103	79.8 Å²	79.8	48%	0.481	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	139.3	176.3	-171.5	179.9	168.7	0	0	111.8	I589	E582-I589 HydrophobicContact CB-CG2 4.32Å
583	C	83.8	Confident	74.9	Confident	3 Å²	3	82.1 Å²	82.1	2%	0.02	42%	0.416	C	S	.	.			trans	-84.5	114.8	166.1	-178.5	0	0	0	0	109.7	E585 G587 K588 F590 L596	C583-E585 PolarHBondContact O-N 2.81Å; C583-G587 VanDerWaalsContact O-CA 3.27Å; C583-G587 WeakPolarHBondContact O-CA 3.47Å; C583-G587 PolarHBondContact O-N 2.74Å; C583-K588 WeakPolarHBondContact CB-O 3.45Å; C583-K588 PolarHBondContact N-O 3.02Å; C583-F590 HydrophobicContact CB-CE2 4.28Å; C583-L596 HydrophobicContact CB-CD1 3.67Å
584	H	74.6	Confident	74.9	Confident	179 Å²	179	82.8 Å²	82.8	83%	0.829	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.7	179	-69.9	-30.3	0	0	0	114.3
585	E	77.8	Confident	75.1	Confident	127 Å²	127	83.3 Å²	83.3	59%	0.593	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-29.7	-178.5	-70.4	-170.5	-143.4	0	0	114.6	C583 H603	C583-E585 PolarHBondContact O-N 2.81Å; E585-H603 WeakPolarHBondContact CB-ND1 3.46Å; E585-H603 WeakPolarHBondContact OE2-CB 3.23Å; E585-H603 IonicContact OE2-CE1 3.88Å; E585-H603 IonicContact OE2-CG 3.7Å; E585-H603 IonicContact OE2-ND1 3.19Å; E585-H603 PolarHBondContact OE2-ND1 2.81Å
586	C	79.4	Confident	75.3	Confident	54 Å²	54	80.8 Å²	80.8	37%	0.365	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	9	-179.6	72.6	0	0	0	0	114.7	K588 H599 H603	C586-K588 PolarHBondContact O-N 3.13Å; C586-K588 VanDerWaalsContact SG-CB 3.53Å; C586-K588 WeakPolarHBondContact SG-CG 3.39Å; C586-H599 PolarHBondContact SG-NE2 3.01Å; C586-H603 PolarHBondContact SG-NE2 3.03Å; C586-H603 VanDerWaalsContact SG-NE2 3.41Å
587	G	75.5	Confident	75.7	Confident	38 Å²	38	81 Å²	81	39%	0.392	41%	0.414	S	S	.	.			trans	61.6	11	-178.8	0	0	0	0	0	114.4	C583 I589	C583-G587 VanDerWaalsContact O-CA 3.27Å; C583-G587 WeakPolarHBondContact O-CA 3.47Å; C583-G587 PolarHBondContact O-N 2.74Å; G587-I589 WeakPolarHBondContact O-CG1 3.19Å; G587-I589 PolarHBondContact O-N 3.11Å
588	K	74.9	Confident	76.3	Confident	126 Å²	126	82.8 Å²	82.8	55%	0.548	41%	0.409	S	S	.	.			trans	-74.7	129.2	179.3	-77.7	-179.9	-176.3	171.7	0	109.2	C583 C586 F590	C583-K588 WeakPolarHBondContact CB-O 3.45Å; C583-K588 PolarHBondContact N-O 3.02Å; C586-K588 PolarHBondContact O-N 3.13Å; C586-K588 VanDerWaalsContact SG-CB 3.53Å; C586-K588 WeakPolarHBondContact SG-CG 3.39Å; K588-F590 HydrophobicContact CB-CE2 3.77Å; K588-F590 HydrophobicContact CB-CZ 4.02Å; K588-F590 WeakPolarHBondContact O-CD2 3.39Å; K588-F590 VanDerWaalsContact O-CE2 3.31Å; K588-F590 WeakPolarHBondContact O-CE2 3.26Å
589	I	71.7	Confident	77	Confident	83 Å²	83	78.2 Å²	78.2	43%	0.426	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.2	-173.3	-29.1	178.6	0	0	0	110.5	K579 E582 G587	K579-I589 HydrophobicContact CB-CB 3.9Å; K579-I589 HydrophobicContact CB-CG2 3.31Å; K579-I589 HydrophobicContact CD-CB 3.92Å; K579-I589 HydrophobicContact CD-CG2 4.28Å; K579-I589 HydrophobicContact CG-CG2 4.44Å; K579-I589 WeakPolarHBondContact O-CG2 3.23Å; E582-I589 HydrophobicContact CB-CG2 4.32Å; G587-I589 WeakPolarHBondContact O-CG1 3.19Å; G587-I589 PolarHBondContact O-N 3.11Å
590	F	76.8	Confident	77.8	Confident	39 Å²	39	75.3 Å²	75.3	17%	0.171	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	151.9	-176.3	-60.7	-90	0	0	0	111.4	Y581 C583 K588 L596 H599	Y581-F590 WeakPolarHBondContact CB-O 3.37Å; Y581-F590 PolarHBondContact N-O 3.45Å; Y581-F590 PolarHBondContact O-N 3.21Å; C583-F590 HydrophobicContact CB-CE2 4.28Å; K588-F590 HydrophobicContact CB-CE2 3.77Å; K588-F590 HydrophobicContact CB-CZ 4.02Å; K588-F590 WeakPolarHBondContact O-CD2 3.39Å; K588-F590 VanDerWaalsContact O-CE2 3.31Å; K588-F590 WeakPolarHBondContact O-CE2 3.26Å; F590-L596 HydrophobicContact CB-CB 4.36Å; F590-L596 HydrophobicContact CD2-CB 4.16Å; F590-L596 HydrophobicContact CD2-CD1 3.79Å; F590-L596 HydrophobicContact CE2-CD1 4.11Å; F590-L596 HydrophobicContact CG-CB 4.39Å; F590-H599 HydrophobicContact CE1-CB 3.93Å; F590-H599 HydrophobicContact CE2-CB 3.89Å; F590-H599 AromaticContact CE2-CD2 3.12Å; F590-H599 WeakPolarHBondContact CE2-CD2 3.36Å; F590-H599 AromaticContact CE2-CG 3.56Å; F590-H599 AromaticContact CE2-NE2 3.75Å; F590-H599 HydrophobicContact CZ-CB 3.44Å; F590-H599 VanDerWaalsContact CZ-CB 3.44Å; F590-H599 AromaticContact CZ-CD2 3.26Å; F590-H599 WeakPolarHBondContact CZ-CD2 3.32Å; F590-H599 AromaticContact CZ-CG 3.18Å; F590-H599 AromaticContact CZ-ND1 3.79Å; F590-H599 AromaticContact CZ-NE2 3.79Å
591	Y	70	Confident	78.2	Confident	82 Å²	82	74.3 Å²	74.3	32%	0.322	36%	0.364	S	S	.	.	S	Bend	trans	-83.5	-18.9	178.6	54.2	-88.3	0	0	0	113.3	Q570 R573 Y595	Q570-Y591 HydrophobicContact CG-CD2 4.2Å; Q570-Y591 VanDerWaalsContact NE2-CE2 3.3Å; R573-Y591 PolarHBondContact NH1-O 2.76Å; R573-Y591 VanDerWaalsContact NH1-O 3.08Å; Y591-Y595 HydrophobicContact CD2-CD2 4.21Å; Y591-Y595 HydrophobicContact CD2-CE2 4.42Å; Y591-Y595 HydrophobicContact CE1-CD2 4.28Å; Y591-Y595 AromaticContact CE2-CD2 3.43Å; Y591-Y595 HydrophobicContact CE2-CD2 3.43Å; Y591-Y595 VanDerWaalsContact CE2-CD2 3.43Å; Y591-Y595 AromaticContact CE2-CE2 3.32Å; Y591-Y595 HydrophobicContact CE2-CE2 3.32Å; Y591-Y595 AromaticContact CZ-CD2 3.47Å; Y591-Y595 VanDerWaalsContact CZ-CD2 3.47Å; Y591-Y595 AromaticContact CZ-CE2 3.41Å; Y591-Y595 VanDerWaalsContact CZ-CE2 3.41Å; Y591-Y595 WeakPolarHBondContact OH-CD2 3.41Å; Y591-Y595 WeakPolarHBondContact OH-CE2 3.46Å; Y591-Y595 VanDerWaalsContact OH-CZ 3.28Å
592	N	74.6	Confident	78.3	Confident	24 Å²	24	75 Å²	75	13%	0.128	38%	0.376	C	S	.	.	S	Bend	trans	-132.9	146.6	174.6	-57.9	-9.8	0	0	0	113.7	Q570 S594 Y595 L596	Q570-N592 WeakPolarHBondContact CG-OD1 3.38Å; Q570-N592 PolarHBondContact NE2-ND2 3.23Å; Q570-N592 PolarHBondContact NE2-OD1 2.83Å; Q570-N592 PolarHBondContact OE1-ND2 3.3Å; N592-S594 VanDerWaalsContact C-N 3.32Å; N592-S594 PolarHBondContact O-N 3.07Å; N592-Y595 HydrophobicContact CB-CD2 3.77Å; N592-Y595 PolarHBondContact O-N 2.79Å; N592-Y595 VanDerWaalsContact O-N 3.09Å; N592-L596 PolarHBondContact O-N 2.85Å; N592-L596 VanDerWaalsContact O-N 3.09Å
593	K	77.3	Confident	78.3	Confident	141 Å²	141	73 Å²	73	61%	0.613	37%	0.366	S	S	*	.	H	α-helix	trans	-54.7	-39.6	168.4	-169.4	170.2	-178	173.7	0	114	Y581 Y595 L596 T597	Y581-K593 HydrophobicContact CD1-CB 3.94Å; Y581-K593 HydrophobicContact CD1-CG 4.48Å; Y581-K593 HydrophobicContact CE1-CB 3.71Å; Y581-K593 HydrophobicContact CE1-CG 4.38Å; Y581-K593 HydrophobicContact CG-CB 4.49Å; K593-Y595 VanDerWaalsContact C-N 3.3Å; K593-Y595 PolarHBondContact O-N 3.03Å; K593-L596 PolarHBondContact O-N 3.2Å; K593-T597 WeakPolarHBondContact O-CB 3.39Å; K593-T597 PolarHBondContact O-N 2.78Å; K593-T597 PolarHBondContact O-OG1 3.06Å
594	S	79	Confident	78	Confident	79 Å²	79	76.7 Å²	76.7	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-66.4	-31.4	178.5	-57.8	0	0	0	0	113	N592 K598	N592-S594 VanDerWaalsContact C-N 3.32Å; N592-S594 PolarHBondContact O-N 3.07Å; S594-K598 VanDerWaalsContact O-CG 3.3Å; S594-K598 WeakPolarHBondContact O-CG 3.48Å; S594-K598 PolarHBondContact O-N 2.87Å; S594-K598 VanDerWaalsContact O-N 3.14Å
595	Y	78.8	Confident	78.1	Confident	95 Å²	95	70.4 Å²	70.4	37%	0.373	37%	0.372	S	S	.	.	H	α-helix	trans	-75.5	-41.4	174.8	-75.5	-65.8	0	0	0	111.2	Y591 N592 K593 T597 K598 H599	Y591-Y595 HydrophobicContact CD2-CD2 4.21Å; Y591-Y595 HydrophobicContact CD2-CE2 4.42Å; Y591-Y595 HydrophobicContact CE1-CD2 4.28Å; Y591-Y595 AromaticContact CE2-CD2 3.43Å; Y591-Y595 HydrophobicContact CE2-CD2 3.43Å; Y591-Y595 VanDerWaalsContact CE2-CD2 3.43Å; Y591-Y595 AromaticContact CE2-CE2 3.32Å; Y591-Y595 HydrophobicContact CE2-CE2 3.32Å; Y591-Y595 AromaticContact CZ-CD2 3.47Å; Y591-Y595 VanDerWaalsContact CZ-CD2 3.47Å; Y591-Y595 AromaticContact CZ-CE2 3.41Å; Y591-Y595 VanDerWaalsContact CZ-CE2 3.41Å; Y591-Y595 WeakPolarHBondContact OH-CD2 3.41Å; Y591-Y595 WeakPolarHBondContact OH-CE2 3.46Å; Y591-Y595 VanDerWaalsContact OH-CZ 3.28Å; N592-Y595 HydrophobicContact CB-CD2 3.77Å; N592-Y595 PolarHBondContact O-N 2.79Å; N592-Y595 VanDerWaalsContact O-N 3.09Å; K593-Y595 VanDerWaalsContact C-N 3.3Å; K593-Y595 PolarHBondContact O-N 3.03Å; Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.34Å; Y595-K598 PolarHBondContact O-N 3.25Å; Y595-H599 WeakPolarHBondContact O-CB 3.46Å; Y595-H599 PolarHBondContact O-N 3.03Å
596	L	82.7	Confident	78.1	Confident	22 Å²	22	69.7 Å²	69.7	12%	0.115	37%	0.369	C	S	.	.	H	α-helix	trans	-56.9	-46.2	170.7	177.2	63.1	0	0	0	111.1	C583 F590 N592 K593 K598 H599 N600	C583-L596 HydrophobicContact CB-CD1 3.67Å; F590-L596 HydrophobicContact CB-CB 4.36Å; F590-L596 HydrophobicContact CD2-CB 4.16Å; F590-L596 HydrophobicContact CD2-CD1 3.79Å; F590-L596 HydrophobicContact CE2-CD1 4.11Å; F590-L596 HydrophobicContact CG-CB 4.39Å; N592-L596 PolarHBondContact O-N 2.85Å; N592-L596 VanDerWaalsContact O-N 3.09Å; K593-L596 PolarHBondContact O-N 3.2Å; L596-K598 VanDerWaalsContact C-N 3.34Å; L596-K598 PolarHBondContact O-N 3.39Å; L596-H599 CarbonylContact O-C 3.55Å; L596-H599 WeakPolarHBondContact O-CA 2.96Å; L596-H599 WeakPolarHBondContact O-CB 3.41Å; L596-H599 PolarHBondContact O-N 3.44Å; L596-N600 WeakPolarHBondContact CD1-OD1 3.24Å; L596-N600 VanDerWaalsContact O-CG 3.3Å; L596-N600 PolarHBondContact O-N 3.39Å; L596-N600 PolarHBondContact O-OD1 3.34Å
597	T	80.9	Confident	78.2	Confident	66 Å²	66	72.6 Å²	72.6	41%	0.405	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-41	178.5	-51.8	0	0	0	0	111.9	K593 Y595 H599	K593-T597 WeakPolarHBondContact O-CB 3.39Å; K593-T597 PolarHBondContact O-N 2.78Å; K593-T597 PolarHBondContact O-OG1 3.06Å; Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.34Å; T597-H599 VanDerWaalsContact C-N 3.3Å; T597-H599 PolarHBondContact O-N 3.13Å
598	K	81.6	Confident	78.6	Confident	86 Å²	86	74.5 Å²	74.5	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-66.3	-34	174.4	-73.6	173.2	-175.3	-179.7	0	112.1	S594 Y595 L596	S594-K598 VanDerWaalsContact O-CG 3.3Å; S594-K598 WeakPolarHBondContact O-CG 3.48Å; S594-K598 PolarHBondContact O-N 2.87Å; S594-K598 VanDerWaalsContact O-N 3.14Å; Y595-K598 PolarHBondContact O-N 3.25Å; L596-K598 VanDerWaalsContact C-N 3.34Å; L596-K598 PolarHBondContact O-N 3.39Å
599	H	83.3	Confident	79.1	Confident	23 Å²	23	72 Å²	72	11%	0.106	37%	0.368	C	S	.	.	H	α-helix	trans	-73.8	-39.2	177.3	170.6	59.3	0	0	0	112.2	C586 F590 Y595 L596 T597 R601 T602 H603	C586-H599 PolarHBondContact SG-NE2 3.01Å; F590-H599 HydrophobicContact CE1-CB 3.93Å; F590-H599 HydrophobicContact CE2-CB 3.89Å; F590-H599 AromaticContact CE2-CD2 3.12Å; F590-H599 WeakPolarHBondContact CE2-CD2 3.36Å; F590-H599 AromaticContact CE2-CG 3.56Å; F590-H599 AromaticContact CE2-NE2 3.75Å; F590-H599 HydrophobicContact CZ-CB 3.44Å; F590-H599 VanDerWaalsContact CZ-CB 3.44Å; F590-H599 AromaticContact CZ-CD2 3.26Å; F590-H599 WeakPolarHBondContact CZ-CD2 3.32Å; F590-H599 AromaticContact CZ-CG 3.18Å; F590-H599 AromaticContact CZ-ND1 3.79Å; F590-H599 AromaticContact CZ-NE2 3.79Å; Y595-H599 WeakPolarHBondContact O-CB 3.46Å; Y595-H599 PolarHBondContact O-N 3.03Å; L596-H599 CarbonylContact O-C 3.55Å; L596-H599 WeakPolarHBondContact O-CA 2.96Å; L596-H599 WeakPolarHBondContact O-CB 3.41Å; L596-H599 PolarHBondContact O-N 3.44Å; T597-H599 VanDerWaalsContact C-N 3.3Å; T597-H599 PolarHBondContact O-N 3.13Å; H599-R601 PolarHBondContact O-N 3.12Å; H599-T602 PolarHBondContact ND1-OG1 3.26Å; H599-T602 WeakPolarHBondContact O-CB 3.37Å; H599-T602 PolarHBondContact O-N 2.89Å; H599-T602 PolarHBondContact O-OG1 3.45Å; H599-H603 AromaticContact CE1-CD2 3.78Å; H599-H603 AromaticContact CE1-NE2 3.31Å; H599-H603 PolarHBondContact CE1-NE2 2.91Å; H599-H603 VanDerWaalsContact CE1-NE2 3.31Å; H599-H603 AromaticContact NE2-CD2 3.65Å; H599-H603 AromaticContact NE2-NE2 3.21Å; H599-H603 PolarHBondContact NE2-NE2 3.1Å
600	N	80.3	Confident	79.7	Confident	60 Å²	60	73.4 Å²	73.4	32%	0.321	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-19.6	176.5	-68.5	3.1	0	0	0	112.6	L596 T602 H603 T604	L596-N600 WeakPolarHBondContact CD1-OD1 3.24Å; L596-N600 VanDerWaalsContact O-CG 3.3Å; L596-N600 PolarHBondContact O-N 3.39Å; L596-N600 PolarHBondContact O-OD1 3.34Å; N600-T602 VanDerWaalsContact C-N 3.25Å; N600-T602 PolarHBondContact O-N 2.78Å; N600-H603 WeakPolarHBondContact O-CB 3.46Å; N600-H603 PolarHBondContact O-N 3.17Å; N600-T604 PolarHBondContact O-N 3.14Å; N600-T604 PolarHBondContact O-OG1 3.49Å
601	R	84.6	Confident	80.3	Confident	56 Å²	56	71.5 Å²	71.5	21%	0.211	37%	0.365	C	S	.	.	H	α-helix	trans	-68.5	-21.2	169.9	-63.9	179.8	-176.8	167.4	1.5	114	H599 H603 T604 G605 E606 C619	H599-R601 PolarHBondContact O-N 3.12Å; R601-H603 VanDerWaalsContact C-N 3.28Å; R601-T604 WeakPolarHBondContact CA-OG1 3.18Å; R601-G605 WeakPolarHBondContact O-CA 3.37Å; R601-G605 PolarHBondContact O-N 2.88Å; R601-E606 HydrophobicContact CG-CB 4.45Å; R601-C619 HydrophobicContact CB-CB 4.19Å; R601-C619 WeakPolarHBondContact CD-O 3.28Å; R601-C619 PolarHBondContact NH1-O 3.16Å
602	T	79.1	Confident	80.9	Confident	90 Å²	90	74.9 Å²	74.9	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-76.1	-23.7	173.5	67.6	0	0	0	0	112.1	H599 N600	H599-T602 PolarHBondContact ND1-OG1 3.26Å; H599-T602 WeakPolarHBondContact O-CB 3.37Å; H599-T602 PolarHBondContact O-N 2.89Å; H599-T602 PolarHBondContact O-OG1 3.45Å; N600-T602 VanDerWaalsContact C-N 3.25Å; N600-T602 PolarHBondContact O-N 2.78Å
603	H	78.5	Confident	81.2	Confident	60 Å²	60	79.4 Å²	79.4	28%	0.278	41%	0.409	S	S	.	.	H	α-helix	trans	-83	-55.3	178.5	-79.6	-68.5	0	0	0	111.7	E585 C586 H599 N600 R601 G605	E585-H603 WeakPolarHBondContact CB-ND1 3.46Å; E585-H603 WeakPolarHBondContact OE2-CB 3.23Å; E585-H603 IonicContact OE2-CE1 3.88Å; E585-H603 IonicContact OE2-CG 3.7Å; E585-H603 IonicContact OE2-ND1 3.19Å; E585-H603 PolarHBondContact OE2-ND1 2.81Å; C586-H603 PolarHBondContact SG-NE2 3.03Å; C586-H603 VanDerWaalsContact SG-NE2 3.41Å; H599-H603 AromaticContact CE1-CD2 3.78Å; H599-H603 AromaticContact CE1-NE2 3.31Å; H599-H603 PolarHBondContact CE1-NE2 2.91Å; H599-H603 VanDerWaalsContact CE1-NE2 3.31Å; H599-H603 AromaticContact NE2-CD2 3.65Å; H599-H603 AromaticContact NE2-NE2 3.21Å; H599-H603 PolarHBondContact NE2-NE2 3.1Å; N600-H603 WeakPolarHBondContact O-CB 3.46Å; N600-H603 PolarHBondContact O-N 3.17Å; R601-H603 VanDerWaalsContact C-N 3.28Å; H603-G605 PolarHBondContact O-N 2.9Å
604	T	76.4	Confident	81.4	Confident	80 Å²	80	75.2 Å²	75.2	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-71.1	-15.2	179.3	53.9	0	0	0	0	113.7	N600 R601 E606	N600-T604 PolarHBondContact O-N 3.14Å; N600-T604 PolarHBondContact O-OG1 3.49Å; R601-T604 WeakPolarHBondContact CA-OG1 3.18Å; T604-E606 PolarHBondContact O-N 3.46Å
605	G	77.1	Confident	81.5	Confident	47 Å²	47	73.4 Å²	73.4	49%	0.485	39%	0.39	S	S	.	.			trans	69.5	6.3	-174.1	0	0	0	0	0	113.9	R601 H603 K607	R601-G605 WeakPolarHBondContact O-CA 3.37Å; R601-G605 PolarHBondContact O-N 2.88Å; H603-G605 PolarHBondContact O-N 2.9Å; G605-K607 PolarHBondContact O-N 3.12Å
606	E	76.8	Confident	81.6	Confident	112 Å²	112	74.8 Å²	74.8	52%	0.523	40%	0.398	S	S	.	.			trans	-59.5	120.3	178.5	-74.8	-177.4	-178.1	0	0	111	R601 T604 P608	R601-E606 HydrophobicContact CG-CB 4.45Å; T604-E606 PolarHBondContact O-N 3.46Å; E606-P608 WeakPolarHBondContact O-CD 3.46Å
607	K	83.3	Confident	81.7	Confident	116 Å²	116	76.4 Å²	76.4	50%	0.504	41%	0.409	S	S	.	.			trans	-123.1	77.4	177	-69.7	170.5	177.4	-177.1	0	110.5	G605 Y609 T617 F618 C619	G605-K607 PolarHBondContact O-N 3.12Å; K607-Y609 PolarHBondContact O-N 3.35Å; K607-T617 WeakPolarHBondContact CD-O 3.31Å; K607-T617 VanDerWaalsContact CD-OG1 3.27Å; K607-T617 WeakPolarHBondContact CD-OG1 3.37Å; K607-F618 CarbonylContact C-O 3.36Å; K607-F618 VanDerWaalsContact C-O 3.23Å; K607-F618 VanDerWaalsContact CA-O 3.27Å; K607-F618 WeakPolarHBondContact CA-O 3.49Å; K607-C619 HydrophobicContact CG-CB 4.45Å
608	P	83.7	Confident	81.8	Confident	77 Å²	77	75.1 Å²	75.1	50%	0.5	40%	0.398	S	S	.	.			trans	-68.6	-9.2	-171.4	-19.9	33.4	0	0	0	114.8	E606	E606-P608 WeakPolarHBondContact O-CD 3.46Å
609	Y	84.9	Confident	81.8	Confident	73 Å²	73	72 Å²	72	29%	0.286	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	97.6	-172.8	-58.3	-79.7	0	0	0	109.8	K607 T617 F618 Q620 K621	K607-Y609 PolarHBondContact O-N 3.35Å; Y609-T617 CarbonylContact O-C 3.3Å; Y609-T617 WeakPolarHBondContact O-CA 3.37Å; Y609-F618 WeakPolarHBondContact CB-O 3.25Å; Y609-F618 WeakPolarHBondContact CD2-O 3.18Å; Y609-F618 PolarHBondContact N-O 3.29Å; Y609-F618 VanDerWaalsContact N-O 3.15Å; Y609-F618 PolarHBondContact O-N 3.06Å; Y609-Q620 VanDerWaalsContact CD2-C 3.46Å; Y609-K621 HydrophobicContact CD1-CB 3.9Å; Y609-K621 HydrophobicContact CD1-CG 4.29Å; Y609-K621 HydrophobicContact CE1-CB 3.64Å; Y609-K621 HydrophobicContact CE1-CG 4.2Å; Y609-K621 HydrophobicContact CG-CB 4.44Å
610	E	84.9	Confident	81.7	Confident	113 Å²	113	73.9 Å²	73.9	53%	0.528	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.7	177.7	-172	174.7	166.9	0	0	111.8	T617 L624	E610-T617 HydrophobicContact CB-CG2 4.08Å; E610-T617 HydrophobicContact CG-CG2 4.01Å; E610-L624 WeakPolarHBondContact O-CD2 3.3Å
611	C	88.1	Confident	81.8	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.41	C	S	.	.			trans	-87.8	114.4	169.6	-177.6	0	0	0	0	110.3	E613 C614 G615 K616 F618 L624 H631	C611-E613 PolarHBondContact O-N 3.27Å; C611-E613 VanDerWaalsContact O-N 3.09Å; C611-C614 PolarHBondContact O-N 3.44Å; C611-C614 VanDerWaalsContact SG-SG 3.69Å; C611-G615 VanDerWaalsContact O-CA 3.32Å; C611-G615 WeakPolarHBondContact O-CA 3.34Å; C611-G615 PolarHBondContact O-N 3.16Å; C611-K616 WeakPolarHBondContact CB-O 3.48Å; C611-K616 PolarHBondContact N-O 2.9Å; C611-F618 HydrophobicContact CB-CE2 4.33Å; C611-L624 HydrophobicContact CB-CD1 3.57Å; C611-H631 PolarHBondContact SG-NE2 3.08Å
612	N	83.5	Confident	81.6	Confident	152 Å²	152	78.6 Å²	78.6	81%	0.813	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.3	-179.7	-61.3	-14.1	0	0	0	114.1
613	E	81.4	Confident	81.8	Confident	120 Å²	120	77.5 Å²	77.5	56%	0.561	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-24.1	-175.1	-66.7	176.6	-137	0	0	113.9	C611 H631	C611-E613 PolarHBondContact O-N 3.27Å; C611-E613 VanDerWaalsContact O-N 3.09Å; E613-H631 WeakPolarHBondContact OE2-CB 3.44Å; E613-H631 IonicContact OE2-CD2 3.99Å; E613-H631 PolarHBondContact OE2-CD2 3.45Å; E613-H631 IonicContact OE2-CG 3.57Å
614	C	81.1	Confident	82.1	Confident	52 Å²	52	75.5 Å²	75.5	35%	0.351	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	4	-176.8	74.1	0	0	0	0	114.5	C611 K616 H627	C611-C614 PolarHBondContact O-N 3.44Å; C611-C614 VanDerWaalsContact SG-SG 3.69Å; C614-K616 PolarHBondContact O-N 2.78Å; C614-K616 VanDerWaalsContact SG-CB 3.56Å; C614-K616 VanDerWaalsContact SG-CG 3.57Å; C614-H627 PolarHBondContact SG-NE2 3.05Å
615	G	80.7	Confident	82.4	Confident	41 Å²	41	74.7 Å²	74.7	42%	0.423	40%	0.4	S	S	.	.			trans	65.9	3.5	-178.8	0	0	0	0	0	114.8	C611 T617	C611-G615 VanDerWaalsContact O-CA 3.32Å; C611-G615 WeakPolarHBondContact O-CA 3.34Å; C611-G615 PolarHBondContact O-N 3.16Å; G615-T617 PolarHBondContact O-N 3.37Å
616	K	80.9	Confident	82.6	Confident	124 Å²	124	76.1 Å²	76.1	54%	0.539	39%	0.394	S	S	.	.			trans	-70.6	129.5	-180	-72.3	179.8	-177.7	174.2	0	110.3	C611 C614 F618	C611-K616 WeakPolarHBondContact CB-O 3.48Å; C611-K616 PolarHBondContact N-O 2.9Å; C614-K616 PolarHBondContact O-N 2.78Å; C614-K616 VanDerWaalsContact SG-CB 3.56Å; C614-K616 VanDerWaalsContact SG-CG 3.57Å; K616-F618 HydrophobicContact CB-CE2 3.88Å; K616-F618 HydrophobicContact CB-CZ 4Å; K616-F618 WeakPolarHBondContact O-CD2 3.49Å; K616-F618 VanDerWaalsContact O-CE2 3.32Å; K616-F618 WeakPolarHBondContact O-CE2 3.49Å
617	T	83.7	Confident	82.9	Confident	56 Å²	56	71.6 Å²	71.6	34%	0.344	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143.8	-180	59.1	0	0	0	0	111.6	K607 Y609 E610 G615	K607-T617 WeakPolarHBondContact CD-O 3.31Å; K607-T617 VanDerWaalsContact CD-OG1 3.27Å; K607-T617 WeakPolarHBondContact CD-OG1 3.37Å; Y609-T617 CarbonylContact O-C 3.3Å; Y609-T617 WeakPolarHBondContact O-CA 3.37Å; E610-T617 HydrophobicContact CB-CG2 4.08Å; E610-T617 HydrophobicContact CG-CG2 4.01Å; G615-T617 PolarHBondContact O-N 3.37Å
618	F	84.4	Confident	82.8	Confident	39 Å²	39	69 Å²	69	17%	0.171	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.2	-177.4	-59.8	-87.3	0	0	0	111	K607 Y609 C611 K616 Q620 Q623 L624 H627	K607-F618 CarbonylContact C-O 3.36Å; K607-F618 VanDerWaalsContact C-O 3.23Å; K607-F618 VanDerWaalsContact CA-O 3.27Å; K607-F618 WeakPolarHBondContact CA-O 3.49Å; Y609-F618 WeakPolarHBondContact CB-O 3.25Å; Y609-F618 WeakPolarHBondContact CD2-O 3.18Å; Y609-F618 PolarHBondContact N-O 3.29Å; Y609-F618 VanDerWaalsContact N-O 3.15Å; Y609-F618 PolarHBondContact O-N 3.06Å; C611-F618 HydrophobicContact CB-CE2 4.33Å; K616-F618 HydrophobicContact CB-CE2 3.88Å; K616-F618 HydrophobicContact CB-CZ 4Å; K616-F618 WeakPolarHBondContact O-CD2 3.49Å; K616-F618 VanDerWaalsContact O-CE2 3.32Å; K616-F618 WeakPolarHBondContact O-CE2 3.49Å; F618-Q620 VanDerWaalsContact C-N 3.33Å; F618-Q623 HydrophobicContact CB-CB 4.1Å; F618-Q623 HydrophobicContact CD1-CB 3.81Å; F618-Q623 HydrophobicContact CG-CB 4.2Å; F618-L624 HydrophobicContact CB-CB 4.38Å; F618-L624 HydrophobicContact CD2-CB 3.95Å; F618-L624 HydrophobicContact CD2-CD1 3.85Å; F618-L624 HydrophobicContact CE2-CD1 4.03Å; F618-L624 HydrophobicContact CG-CB 4.34Å; F618-H627 HydrophobicContact CE1-CB 3.95Å; F618-H627 HydrophobicContact CE2-CB 3.79Å; F618-H627 AromaticContact CE2-CD2 3.45Å; F618-H627 VanDerWaalsContact CE2-CD2 3.45Å; F618-H627 WeakPolarHBondContact CE2-CD2 3.5Å; F618-H627 AromaticContact CE2-CG 3.6Å; F618-H627 HydrophobicContact CZ-CB 3.38Å; F618-H627 AromaticContact CZ-CD2 3.49Å; F618-H627 VanDerWaalsContact CZ-CD2 3.49Å; F618-H627 WeakPolarHBondContact CZ-CD2 3.49Å; F618-H627 AromaticContact CZ-CG 3.18Å; F618-H627 AromaticContact CZ-ND1 3.71Å
619	C	81.8	Confident	82.7	Confident	22 Å²	22	68.4 Å²	68.4	15%	0.149	35%	0.35	C	S	.	.	S	Bend	trans	-82.2	-13.9	178.8	62.4	0	0	0	0	113.1	R601 K607 Q623	R601-C619 HydrophobicContact CB-CB 4.19Å; R601-C619 WeakPolarHBondContact CD-O 3.28Å; R601-C619 PolarHBondContact NH1-O 3.16Å; K607-C619 HydrophobicContact CG-CB 4.45Å; C619-Q623 PolarHBondContact SG-OE1 3.28Å
620	Q	81.4	Confident	82.4	Confident	61 Å²	61	70.1 Å²	70.1	29%	0.285	36%	0.363	S	S	.	.	S	Bend	trans	-136.2	141.5	-179.5	-58.4	-178.7	15.4	0	0	112.1	Y609 F618 S622 Q623 L624	Y609-Q620 VanDerWaalsContact CD2-C 3.46Å; F618-Q620 VanDerWaalsContact C-N 3.33Å; Q620-S622 VanDerWaalsContact C-N 3.31Å; Q620-S622 PolarHBondContact O-N 3.28Å; Q620-Q623 HydrophobicContact CB-CG 4.12Å; Q620-Q623 WeakPolarHBondContact O-CB 3.49Å; Q620-Q623 PolarHBondContact O-N 3.1Å; Q620-Q623 VanDerWaalsContact O-N 3.17Å; Q620-L624 PolarHBondContact O-N 3.07Å
621	K	81.1	Confident	82.1	Confident	140 Å²	140	68 Å²	68	61%	0.609	35%	0.353	S	S	*	.	H	α-helix	trans	-58.6	-38.8	176.4	-170.4	175.5	179.7	177.3	0	113.1	Y609 Q623 L624 T625	Y609-K621 HydrophobicContact CD1-CB 3.9Å; Y609-K621 HydrophobicContact CD1-CG 4.29Å; Y609-K621 HydrophobicContact CE1-CB 3.64Å; Y609-K621 HydrophobicContact CE1-CG 4.2Å; Y609-K621 HydrophobicContact CG-CB 4.44Å; K621-Q623 VanDerWaalsContact C-N 3.27Å; K621-Q623 PolarHBondContact O-N 2.86Å; K621-L624 WeakPolarHBondContact O-CB 3.16Å; K621-L624 PolarHBondContact O-N 3.15Å; K621-T625 PolarHBondContact O-N 3.1Å; K621-T625 PolarHBondContact O-OG1 3.48Å
622	S	81.3	Confident	81.6	Confident	75 Å²	75	72.9 Å²	72.9	52%	0.524	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-36.3	178.2	48.4	0	0	0	0	112.8	Q620 Q626	Q620-S622 VanDerWaalsContact C-N 3.31Å; Q620-S622 PolarHBondContact O-N 3.28Å; S622-Q626 WeakPolarHBondContact O-CB 3.44Å; S622-Q626 PolarHBondContact O-N 2.82Å
623	Q	82.8	Confident	81.1	Confident	68 Å²	68	67.9 Å²	67.9	32%	0.318	36%	0.362	S	S	.	.	H	α-helix	trans	-70.5	-40.6	176.4	-64.8	171.9	-10.7	0	0	111.1	F618 C619 Q620 K621 Q626 H627	F618-Q623 HydrophobicContact CB-CB 4.1Å; F618-Q623 HydrophobicContact CD1-CB 3.81Å; F618-Q623 HydrophobicContact CG-CB 4.2Å; C619-Q623 PolarHBondContact SG-OE1 3.28Å; Q620-Q623 HydrophobicContact CB-CG 4.12Å; Q620-Q623 WeakPolarHBondContact O-CB 3.49Å; Q620-Q623 PolarHBondContact O-N 3.1Å; Q620-Q623 VanDerWaalsContact O-N 3.17Å; K621-Q623 VanDerWaalsContact C-N 3.27Å; K621-Q623 PolarHBondContact O-N 2.86Å; Q623-Q626 PolarHBondContact O-N 3.37Å; Q623-H627 VanDerWaalsContact O-CB 3.25Å; Q623-H627 WeakPolarHBondContact O-CB 3.37Å; Q623-H627 PolarHBondContact O-N 2.98Å
624	L	85.6	Confident	80.8	Confident	18 Å²	18	67 Å²	67	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-49.1	173.3	173.4	62.1	0	0	0	111.3	E610 C611 F618 Q620 K621 Q626 H627 Q628	E610-L624 WeakPolarHBondContact O-CD2 3.3Å; C611-L624 HydrophobicContact CB-CD1 3.57Å; F618-L624 HydrophobicContact CB-CB 4.38Å; F618-L624 HydrophobicContact CD2-CB 3.95Å; F618-L624 HydrophobicContact CD2-CD1 3.85Å; F618-L624 HydrophobicContact CE2-CD1 4.03Å; F618-L624 HydrophobicContact CG-CB 4.34Å; Q620-L624 PolarHBondContact O-N 3.07Å; K621-L624 WeakPolarHBondContact O-CB 3.16Å; K621-L624 PolarHBondContact O-N 3.15Å; L624-Q626 VanDerWaalsContact C-N 3.3Å; L624-Q626 PolarHBondContact O-N 3.05Å; L624-H627 WeakPolarHBondContact O-CA 3.17Å; L624-H627 WeakPolarHBondContact O-CB 3.48Å; L624-H627 PolarHBondContact O-N 3.11Å; L624-Q628 HydrophobicContact CD1-CG 4.18Å; L624-Q628 WeakPolarHBondContact O-CG 3.27Å; L624-Q628 PolarHBondContact O-N 3.25Å
625	T	82.4	Confident	80.8	Confident	63 Å²	63	70.6 Å²	70.6	39%	0.387	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-39.1	178.2	-56.4	0	0	0	0	112	K621	K621-T625 PolarHBondContact O-N 3.1Å; K621-T625 PolarHBondContact O-OG1 3.48Å
626	Q	79.9	Confident	80.8	Confident	77 Å²	77	72.1 Å²	72.1	36%	0.36	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-40.7	173.3	176	172.8	67.4	0	0	111.8	S622 Q623 L624 R629 H648	S622-Q626 WeakPolarHBondContact O-CB 3.44Å; S622-Q626 PolarHBondContact O-N 2.82Å; Q623-Q626 PolarHBondContact O-N 3.37Å; L624-Q626 VanDerWaalsContact C-N 3.3Å; L624-Q626 PolarHBondContact O-N 3.05Å; Q626-R629 WeakPolarHBondContact O-CB 3.42Å; Q626-R629 PolarHBondContact O-N 3.26Å; Q626-H648 WeakPolarHBondContact CG-NE2 3.43Å; Q626-H648 PolarHBondContact NE2-CE1 3.5Å; Q626-H648 PolarHBondContact NE2-ND1 3.21Å; Q626-H648 PolarHBondContact NE2-NE2 3.16Å
627	H	83.1	Confident	80.9	Confident	17 Å²	17	69.7 Å²	69.7	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-40.2	178.2	173.6	64.3	0	0	0	112.5	C614 F618 Q623 L624 R629 I630 H631	C614-H627 PolarHBondContact SG-NE2 3.05Å; F618-H627 HydrophobicContact CE1-CB 3.95Å; F618-H627 HydrophobicContact CE2-CB 3.79Å; F618-H627 AromaticContact CE2-CD2 3.45Å; F618-H627 VanDerWaalsContact CE2-CD2 3.45Å; F618-H627 WeakPolarHBondContact CE2-CD2 3.5Å; F618-H627 AromaticContact CE2-CG 3.6Å; F618-H627 HydrophobicContact CZ-CB 3.38Å; F618-H627 AromaticContact CZ-CD2 3.49Å; F618-H627 VanDerWaalsContact CZ-CD2 3.49Å; F618-H627 WeakPolarHBondContact CZ-CD2 3.49Å; F618-H627 AromaticContact CZ-CG 3.18Å; F618-H627 AromaticContact CZ-ND1 3.71Å; Q623-H627 VanDerWaalsContact O-CB 3.25Å; Q623-H627 WeakPolarHBondContact O-CB 3.37Å; Q623-H627 PolarHBondContact O-N 2.98Å; L624-H627 WeakPolarHBondContact O-CA 3.17Å; L624-H627 WeakPolarHBondContact O-CB 3.48Å; L624-H627 PolarHBondContact O-N 3.11Å; H627-R629 PolarHBondContact O-N 2.99Å; H627-R629 VanDerWaalsContact O-N 3.13Å; H627-I630 VanDerWaalsContact O-CB 3.26Å; H627-I630 WeakPolarHBondContact O-CB 3.44Å; H627-I630 WeakPolarHBondContact O-CG1 3.36Å; H627-I630 PolarHBondContact O-N 3.29Å; H627-H631 AromaticContact CD2-NE2 3.93Å; H627-H631 AromaticContact CE1-NE2 3.92Å; H627-H631 AromaticContact NE2-CE1 3.77Å; H627-H631 AromaticContact NE2-NE2 3.22Å; H627-H631 PolarHBondContact NE2-NE2 2.87Å
628	Q	81.8	Confident	80.8	Confident	61 Å²	61	72.7 Å²	72.7	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-58	-27	178.1	-74.8	172.6	-47.4	0	0	112.9	L624 I630 H631 I632	L624-Q628 HydrophobicContact CD1-CG 4.18Å; L624-Q628 WeakPolarHBondContact O-CG 3.27Å; L624-Q628 PolarHBondContact O-N 3.25Å; Q628-I630 PolarHBondContact O-N 3.27Å; Q628-I630 VanDerWaalsContact O-N 3.15Å; Q628-H631 PolarHBondContact O-N 3.38Å; Q628-H631 VanDerWaalsContact O-N 3.07Å; Q628-I632 WeakPolarHBondContact O-CG1 3.32Å; Q628-I632 PolarHBondContact O-N 3.26Å
629	R	82.5	Confident	81	Confident	64 Å²	64	70.9 Å²	70.9	24%	0.242	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-22.8	174.1	-60.1	-179.8	-176.4	-176.9	-3.9	113.4	Q626 H627 H631 G633 E634 C647	Q626-R629 WeakPolarHBondContact O-CB 3.42Å; Q626-R629 PolarHBondContact O-N 3.26Å; H627-R629 PolarHBondContact O-N 2.99Å; H627-R629 VanDerWaalsContact O-N 3.13Å; R629-H631 VanDerWaalsContact C-N 3.33Å; R629-G633 WeakPolarHBondContact O-CA 3.44Å; R629-G633 PolarHBondContact O-N 3.48Å; R629-E634 PolarHBondContact O-N 3.16Å; R629-C647 PolarHBondContact NH1-O 3.27Å
630	I	78.3	Confident	81	Confident	110 Å²	110	77.2 Å²	77.2	56%	0.564	39%	0.393	S	S	*	.	H	α-helix	trans	-69	-37.1	177.2	-59.3	176.4	0	0	0	110.4	H627 Q628	H627-I630 VanDerWaalsContact O-CB 3.26Å; H627-I630 WeakPolarHBondContact O-CB 3.44Å; H627-I630 WeakPolarHBondContact O-CG1 3.36Å; H627-I630 PolarHBondContact O-N 3.29Å; Q628-I630 PolarHBondContact O-N 3.27Å; Q628-I630 VanDerWaalsContact O-N 3.15Å
631	H	77.6	Confident	81	Confident	67 Å²	67	80.4 Å²	80.4	31%	0.31	41%	0.407	S	S	.	.	H	α-helix	trans	-82	-40.1	-177.3	-52.8	-51.8	0	0	0	112.6	C611 E613 H627 Q628 R629 G633	C611-H631 PolarHBondContact SG-NE2 3.08Å; E613-H631 WeakPolarHBondContact OE2-CB 3.44Å; E613-H631 IonicContact OE2-CD2 3.99Å; E613-H631 PolarHBondContact OE2-CD2 3.45Å; E613-H631 IonicContact OE2-CG 3.57Å; H627-H631 AromaticContact CD2-NE2 3.93Å; H627-H631 AromaticContact CE1-NE2 3.92Å; H627-H631 AromaticContact NE2-CE1 3.77Å; H627-H631 AromaticContact NE2-NE2 3.22Å; H627-H631 PolarHBondContact NE2-NE2 2.87Å; Q628-H631 PolarHBondContact O-N 3.38Å; Q628-H631 VanDerWaalsContact O-N 3.07Å; R629-H631 VanDerWaalsContact C-N 3.33Å; H631-G633 PolarHBondContact O-N 3.22Å
632	I	77.6	Confident	81	Confident	104 Å²	104	76.2 Å²	76.2	53%	0.533	40%	0.395	S	S	.	.	H	α-helix	trans	-71.9	-19.3	176.5	-51	170.2	0	0	0	110.5	Q628 E634	Q628-I632 WeakPolarHBondContact O-CG1 3.32Å; Q628-I632 PolarHBondContact O-N 3.26Å; I632-E634 HydrophobicContact CB-CG 4.28Å; I632-E634 HydrophobicContact CG2-CG 3.73Å; I632-E634 PolarHBondContact O-N 3.33Å
633	G	74.4	Confident	80.9	Confident	46 Å²	46	74.6 Å²	74.6	47%	0.474	39%	0.391	S	S	.	.			trans	73.4	7.3	-176.9	0	0	0	0	0	113.7	R629 H631 K635	R629-G633 WeakPolarHBondContact O-CA 3.44Å; R629-G633 PolarHBondContact O-N 3.48Å; H631-G633 PolarHBondContact O-N 3.22Å; G633-K635 PolarHBondContact O-N 3.47Å
634	E	75.4	Confident	80.8	Confident	103 Å²	103	77.4 Å²	77.4	48%	0.481	40%	0.402	S	S	.	.			trans	-59.8	120.6	177	-77.5	-176.7	-176.6	0	0	110.9	R629 I632 P636	R629-E634 PolarHBondContact O-N 3.16Å; I632-E634 HydrophobicContact CB-CG 4.28Å; I632-E634 HydrophobicContact CG2-CG 3.73Å; I632-E634 PolarHBondContact O-N 3.33Å; E634-P636 WeakPolarHBondContact O-CD 3.35Å
635	K	79.3	Confident	80.7	Confident	126 Å²	126	78.1 Å²	78.1	55%	0.548	41%	0.41	S	S	.	.			trans	-121.2	77.6	174	-70.6	166.2	170.5	-173.7	0	109.2	G633 Y637 A645 F646	G633-K635 PolarHBondContact O-N 3.47Å; K635-Y637 PolarHBondContact O-N 2.79Å; K635-A645 HydrophobicContact CB-CB 3.46Å; K635-A645 VanDerWaalsContact CB-CB 3.46Å; K635-A645 HydrophobicContact CD-CB 4.06Å; K635-A645 WeakPolarHBondContact CD-O 3.44Å; K635-A645 HydrophobicContact CG-CB 4.38Å; K635-F646 CarbonylContact C-O 3.54Å; K635-F646 WeakPolarHBondContact CA-O 3.4Å
636	P	80.8	Confident	80.7	Confident	73 Å²	73	77.2 Å²	77.2	47%	0.474	40%	0.401	S	S	.	.			trans	-67.8	-10.1	-171.5	-19.8	33.3	0	0	0	114.3	E634	E634-P636 WeakPolarHBondContact O-CD 3.35Å
637	Y	83.1	Confident	80.6	Confident	73 Å²	73	75.6 Å²	75.6	29%	0.286	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	90.5	-173.4	-54.8	-71.8	0	0	0	109.8	K635 A645 F646 C647 K649	K635-Y637 PolarHBondContact O-N 2.79Å; Y637-A645 CarbonylContact O-C 3.54Å; Y637-A645 WeakPolarHBondContact O-CA 3.4Å; Y637-F646 WeakPolarHBondContact CB-O 3.34Å; Y637-F646 WeakPolarHBondContact CD2-O 3.49Å; Y637-F646 PolarHBondContact N-O 3.48Å; Y637-F646 PolarHBondContact O-N 2.97Å; Y637-C647 WeakPolarHBondContact CE2-O 3.41Å; Y637-K649 HydrophobicContact CD1-CB 4Å; Y637-K649 HydrophobicContact CD1-CG 4.33Å; Y637-K649 HydrophobicContact CD2-CB 4.5Å; Y637-K649 VanDerWaalsContact CD2-N 3.34Å; Y637-K649 HydrophobicContact CE1-CB 3.79Å; Y637-K649 HydrophobicContact CE1-CG 4.29Å; Y637-K649 HydrophobicContact CE2-CB 4.29Å; Y637-K649 HydrophobicContact CG-CB 4.35Å
638	E	82.8	Confident	80.3	Confident	120 Å²	120	77.4 Å²	77.4	56%	0.561	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.9	178	-168.6	173.5	172.4	0	0	112.1
639	C	87.3	Confident	80.2	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.007	42%	0.42	C	S	.	.			trans	-88.2	114.8	171.5	179.4	0	0	0	0	110.4	E641 C642 G643 K644 L652 H659	C639-E641 PolarHBondContact O-N 3.31Å; C639-E641 VanDerWaalsContact O-N 3.1Å; C639-C642 PolarHBondContact O-N 3.11Å; C639-C642 VanDerWaalsContact SG-SG 3.7Å; C639-G643 WeakPolarHBondContact O-CA 3.4Å; C639-G643 PolarHBondContact O-N 3.15Å; C639-K644 WeakPolarHBondContact CB-O 3.25Å; C639-K644 PolarHBondContact N-O 3.5Å; C639-L652 HydrophobicContact CB-CD1 3.65Å; C639-H659 PolarHBondContact SG-NE2 3.17Å; C639-H659 VanDerWaalsContact SG-NE2 3.39Å
640	N	82.3	Confident	80.1	Confident	154 Å²	154	81.3 Å²	81.3	82%	0.824	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.8	-179.5	-61.4	-12.8	0	0	0	114.2
641	E	80.8	Confident	80.3	Confident	128 Å²	128	77.8 Å²	77.8	60%	0.598	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-25.1	-175.8	-67.2	174	154.6	0	0	113.8	C639 H659	C639-E641 PolarHBondContact O-N 3.31Å; C639-E641 VanDerWaalsContact O-N 3.1Å; E641-H659 WeakPolarHBondContact OE2-CB 2.9Å; E641-H659 IonicContact OE2-CD2 3.08Å; E641-H659 PolarHBondContact OE2-CD2 3Å; E641-H659 IonicContact OE2-CG 2.56Å; E641-H659 IonicContact OE2-NE2 3.31Å
642	C	82.6	Confident	80.6	Confident	52 Å²	52	75.4 Å²	75.4	35%	0.351	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	6.8	-176.7	72.7	0	0	0	0	114.9	C639 K644 H655 H659	C639-C642 PolarHBondContact O-N 3.11Å; C639-C642 VanDerWaalsContact SG-SG 3.7Å; C642-K644 PolarHBondContact O-N 3.47Å; C642-H655 PolarHBondContact SG-NE2 3.12Å; C642-H659 PolarHBondContact SG-NE2 3.39Å; C642-H659 VanDerWaalsContact SG-NE2 3.39Å
643	G	79.1	Confident	80.8	Confident	42 Å²	42	73.9 Å²	73.9	43%	0.433	40%	0.402	S	S	.	.			trans	65.6	3.4	-179.9	0	0	0	0	0	114.8	C639 A645	C639-G643 WeakPolarHBondContact O-CA 3.4Å; C639-G643 PolarHBondContact O-N 3.15Å; G643-A645 PolarHBondContact O-N 2.88Å
644	K	80.7	Confident	81.2	Confident	126 Å²	126	74.1 Å²	74.1	55%	0.548	39%	0.394	S	S	.	.			trans	-71	120.3	179.4	-73.9	-179.1	-177.7	172.3	0	110	C639 C642 F646	C639-K644 WeakPolarHBondContact CB-O 3.25Å; C639-K644 PolarHBondContact N-O 3.5Å; C642-K644 PolarHBondContact O-N 3.47Å; K644-F646 HydrophobicContact CB-CE2 3.87Å; K644-F646 HydrophobicContact CB-CZ 4.06Å; K644-F646 WeakPolarHBondContact O-CD2 3.41Å; K644-F646 VanDerWaalsContact O-CE2 3.26Å; K644-F646 WeakPolarHBondContact O-CE2 3.42Å
645	A	82.7	Confident	81.5	Confident	33 Å²	33	70.2 Å²	70.2	27%	0.273	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.9	178.1	0	0	0	0	0	112.2	K635 Y637 G643	K635-A645 HydrophobicContact CB-CB 3.46Å; K635-A645 VanDerWaalsContact CB-CB 3.46Å; K635-A645 HydrophobicContact CD-CB 4.06Å; K635-A645 WeakPolarHBondContact CD-O 3.44Å; K635-A645 HydrophobicContact CG-CB 4.38Å; Y637-A645 CarbonylContact O-C 3.54Å; Y637-A645 WeakPolarHBondContact O-CA 3.4Å; G643-A645 PolarHBondContact O-N 2.88Å
646	F	81.9	Confident	81.6	Confident	45 Å²	45	67.7 Å²	67.7	20%	0.197	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149	-178.6	-60	-90.5	0	0	0	110.9	K635 Y637 K644 H648 A651 L652 H655	K635-F646 CarbonylContact C-O 3.54Å; K635-F646 WeakPolarHBondContact CA-O 3.4Å; Y637-F646 WeakPolarHBondContact CB-O 3.34Å; Y637-F646 WeakPolarHBondContact CD2-O 3.49Å; Y637-F646 PolarHBondContact N-O 3.48Å; Y637-F646 PolarHBondContact O-N 2.97Å; K644-F646 HydrophobicContact CB-CE2 3.87Å; K644-F646 HydrophobicContact CB-CZ 4.06Å; K644-F646 WeakPolarHBondContact O-CD2 3.41Å; K644-F646 VanDerWaalsContact O-CE2 3.26Å; K644-F646 WeakPolarHBondContact O-CE2 3.42Å; F646-H648 VanDerWaalsContact C-N 3.31Å; F646-A651 HydrophobicContact CB-CB 4.12Å; F646-A651 HydrophobicContact CD1-CB 3.88Å; F646-A651 HydrophobicContact CG-CB 4.23Å; F646-L652 HydrophobicContact CB-CB 4.45Å; F646-L652 HydrophobicContact CD2-CB 4.08Å; F646-L652 HydrophobicContact CD2-CD1 3.92Å; F646-L652 HydrophobicContact CE2-CD1 4.2Å; F646-L652 HydrophobicContact CG-CB 4.48Å; F646-H655 HydrophobicContact CE1-CB 4.03Å; F646-H655 HydrophobicContact CE2-CB 3.68Å; F646-H655 AromaticContact CE2-CD2 3.29Å; F646-H655 WeakPolarHBondContact CE2-CD2 3.38Å; F646-H655 AromaticContact CE2-CG 3.47Å; F646-H655 VanDerWaalsContact CE2-CG 3.47Å; F646-H655 HydrophobicContact CZ-CB 3.38Å; F646-H655 AromaticContact CZ-CD2 3.49Å; F646-H655 VanDerWaalsContact CZ-CD2 3.49Å; F646-H655 WeakPolarHBondContact CZ-CD2 3.42Å; F646-H655 AromaticContact CZ-CG 3.19Å; F646-H655 AromaticContact CZ-ND1 3.74Å
647	C	77.7	Confident	81.7	Confident	42 Å²	42	66.9 Å²	66.9	28%	0.284	35%	0.354	S	S	.	.	S	Bend	trans	-76.3	-19.1	176.2	49.6	0	0	0	0	113	R629 Y637	R629-C647 PolarHBondContact NH1-O 3.27Å; Y637-C647 WeakPolarHBondContact CE2-O 3.41Å
648	H	77.5	Confident	81.5	Confident	55 Å²	55	67.1 Å²	67.1	26%	0.255	36%	0.363	S	S	.	.	S	Bend	trans	-128.4	137.2	-174	-66.6	-151.3	0	0	0	111	Q626 F646 S650 A651 L652	Q626-H648 WeakPolarHBondContact CG-NE2 3.43Å; Q626-H648 PolarHBondContact NE2-CE1 3.5Å; Q626-H648 PolarHBondContact NE2-ND1 3.21Å; Q626-H648 PolarHBondContact NE2-NE2 3.16Å; F646-H648 VanDerWaalsContact C-N 3.31Å; H648-S650 VanDerWaalsContact C-N 3.32Å; H648-S650 PolarHBondContact O-N 3.48Å; H648-A651 HydrophobicContact CB-CB 4.13Å; H648-A651 WeakPolarHBondContact O-CB 3.48Å; H648-A651 PolarHBondContact O-N 3.43Å; H648-A651 VanDerWaalsContact O-N 3.16Å; H648-L652 PolarHBondContact O-N 3.44Å
649	K	80.1	Confident	81.3	Confident	132 Å²	132	64.7 Å²	64.7	57%	0.574	35%	0.352	S	S	*	.	H	α-helix	trans	-60.5	-38.3	176	-171.4	176	-178.8	176.5	0	112.8	Y637 A651 L652 I653	Y637-K649 HydrophobicContact CD1-CB 4Å; Y637-K649 HydrophobicContact CD1-CG 4.33Å; Y637-K649 HydrophobicContact CD2-CB 4.5Å; Y637-K649 VanDerWaalsContact CD2-N 3.34Å; Y637-K649 HydrophobicContact CE1-CB 3.79Å; Y637-K649 HydrophobicContact CE1-CG 4.29Å; Y637-K649 HydrophobicContact CE2-CB 4.29Å; Y637-K649 HydrophobicContact CG-CB 4.35Å; K649-A651 VanDerWaalsContact C-N 3.3Å; K649-A651 PolarHBondContact O-N 3.13Å; K649-L652 PolarHBondContact O-N 2.99Å; K649-I653 HydrophobicContact CG-CD1 4.2Å; K649-I653 WeakPolarHBondContact O-CG1 3.48Å; K649-I653 PolarHBondContact O-N 3.42Å
650	S	80.9	Confident	80.7	Confident	76 Å²	76	68.1 Å²	68.1	53%	0.531	37%	0.372	S	S	.	.	H	α-helix	trans	-64	-35.1	177.2	53.6	0	0	0	0	112.7	H648 I653 V654	H648-S650 VanDerWaalsContact C-N 3.32Å; H648-S650 PolarHBondContact O-N 3.48Å; S650-I653 PolarHBondContact O-N 3Å; S650-V654 WeakPolarHBondContact O-CG2 3.47Å; S650-V654 PolarHBondContact O-N 3.04Å
651	A	81.3	Confident	80.1	Confident	35 Å²	35	68.1 Å²	68.1	29%	0.289	37%	0.368	S	S	.	.	H	α-helix	trans	-68.7	-39.5	175.6	0	0	0	0	0	111.3	F646 H648 K649 V654 H655	F646-A651 HydrophobicContact CB-CB 4.12Å; F646-A651 HydrophobicContact CD1-CB 3.88Å; F646-A651 HydrophobicContact CG-CB 4.23Å; H648-A651 HydrophobicContact CB-CB 4.13Å; H648-A651 WeakPolarHBondContact O-CB 3.48Å; H648-A651 PolarHBondContact O-N 3.43Å; H648-A651 VanDerWaalsContact O-N 3.16Å; K649-A651 VanDerWaalsContact C-N 3.3Å; K649-A651 PolarHBondContact O-N 3.13Å; A651-V654 PolarHBondContact O-N 3.15Å; A651-H655 VanDerWaalsContact O-CB 3.27Å; A651-H655 WeakPolarHBondContact O-CB 3.24Å; A651-H655 PolarHBondContact O-N 3.48Å
652	L	84.8	Confident	79.8	Confident	18 Å²	18	67.5 Å²	67.5	9%	0.094	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-47.4	171.9	175.4	63.4	0	0	0	111.5	C639 F646 H648 K649 V654 H655 Q656	C639-L652 HydrophobicContact CB-CD1 3.65Å; F646-L652 HydrophobicContact CB-CB 4.45Å; F646-L652 HydrophobicContact CD2-CB 4.08Å; F646-L652 HydrophobicContact CD2-CD1 3.92Å; F646-L652 HydrophobicContact CE2-CD1 4.2Å; F646-L652 HydrophobicContact CG-CB 4.48Å; H648-L652 PolarHBondContact O-N 3.44Å; K649-L652 PolarHBondContact O-N 2.99Å; L652-V654 VanDerWaalsContact C-N 3.35Å; L652-V654 PolarHBondContact O-N 3.08Å; L652-H655 CarbonylContact O-C 3.28Å; L652-H655 WeakPolarHBondContact O-CA 3.29Å; L652-H655 WeakPolarHBondContact O-CB 3.35Å; L652-H655 PolarHBondContact O-N 3.17Å; L652-H655 VanDerWaalsContact O-N 3.09Å; L652-Q656 HydrophobicContact CD1-CG 4.18Å; L652-Q656 HydrophobicContact CG-CG 4.42Å; L652-Q656 WeakPolarHBondContact O-CG 3.29Å; L652-Q656 PolarHBondContact O-N 3.46Å
653	I	82.2	Confident	79.7	Confident	71 Å²	71	70.8 Å²	70.8	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-44.7	178.8	-67.4	166.9	0	0	0	111.1	K649 S650 H655 Q656 R657	K649-I653 HydrophobicContact CG-CD1 4.2Å; K649-I653 WeakPolarHBondContact O-CG1 3.48Å; K649-I653 PolarHBondContact O-N 3.42Å; S650-I653 PolarHBondContact O-N 3Å; I653-H655 VanDerWaalsContact C-N 3.26Å; I653-H655 PolarHBondContact O-N 3.08Å; I653-Q656 PolarHBondContact O-N 2.81Å; I653-R657 PolarHBondContact O-N 2.79Å
654	V	81.9	Confident	79.8	Confident	51 Å²	51	72.2 Å²	72.2	31%	0.309	38%	0.375	S	S	.	.	H	α-helix	trans	-62.8	-37.2	176	166.7	0	0	0	0	111.3	S650 A651 L652 R657 V676	S650-V654 WeakPolarHBondContact O-CG2 3.47Å; S650-V654 PolarHBondContact O-N 3.04Å; A651-V654 PolarHBondContact O-N 3.15Å; L652-V654 VanDerWaalsContact C-N 3.35Å; L652-V654 PolarHBondContact O-N 3.08Å; V654-R657 WeakPolarHBondContact O-CB 3.29Å; V654-R657 PolarHBondContact O-N 3.28Å; V654-V676 HydrophobicContact CB-CG2 4.44Å; V654-V676 HydrophobicContact CG1-CG2 3.38Å; V654-V676 HydrophobicContact CG2-CG2 4.2Å
655	H	82.8	Confident	80	Confident	22 Å²	22	69.8 Å²	69.8	10%	0.102	36%	0.362	C	S	.	.	H	α-helix	trans	-69.8	-39.8	176.5	173.7	62	0	0	0	112.7	C642 F646 A651 L652 I653 R657 T658 H659	C642-H655 PolarHBondContact SG-NE2 3.12Å; F646-H655 HydrophobicContact CE1-CB 4.03Å; F646-H655 HydrophobicContact CE2-CB 3.68Å; F646-H655 AromaticContact CE2-CD2 3.29Å; F646-H655 WeakPolarHBondContact CE2-CD2 3.38Å; F646-H655 AromaticContact CE2-CG 3.47Å; F646-H655 VanDerWaalsContact CE2-CG 3.47Å; F646-H655 HydrophobicContact CZ-CB 3.38Å; F646-H655 AromaticContact CZ-CD2 3.49Å; F646-H655 VanDerWaalsContact CZ-CD2 3.49Å; F646-H655 WeakPolarHBondContact CZ-CD2 3.42Å; F646-H655 AromaticContact CZ-CG 3.19Å; F646-H655 AromaticContact CZ-ND1 3.74Å; A651-H655 VanDerWaalsContact O-CB 3.27Å; A651-H655 WeakPolarHBondContact O-CB 3.24Å; A651-H655 PolarHBondContact O-N 3.48Å; L652-H655 CarbonylContact O-C 3.28Å; L652-H655 WeakPolarHBondContact O-CA 3.29Å; L652-H655 WeakPolarHBondContact O-CB 3.35Å; L652-H655 PolarHBondContact O-N 3.17Å; L652-H655 VanDerWaalsContact O-N 3.09Å; I653-H655 VanDerWaalsContact C-N 3.26Å; I653-H655 PolarHBondContact O-N 3.08Å; H655-R657 PolarHBondContact O-N 2.76Å; H655-T658 PolarHBondContact ND1-OG1 3.27Å; H655-T658 WeakPolarHBondContact O-CA 3.23Å; H655-T658 VanDerWaalsContact O-CB 3.3Å; H655-T658 WeakPolarHBondContact O-CB 3.23Å; H655-T658 PolarHBondContact O-N 3.39Å; H655-T658 PolarHBondContact O-OG1 2.85Å; H655-H659 AromaticContact CD2-NE2 3.89Å; H655-H659 AromaticContact CE1-CE1 3.98Å; H655-H659 AromaticContact CE1-NE2 3.5Å; H655-H659 PolarHBondContact CE1-NE2 3.33Å; H655-H659 AromaticContact NE2-CD2 3.97Å; H655-H659 AromaticContact NE2-CE1 3.9Å; H655-H659 AromaticContact NE2-NE2 3.08Å; H655-H659 PolarHBondContact NE2-NE2 2.87Å
656	Q	81.3	Confident	80	Confident	73 Å²	73	74.4 Å²	74.4	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-58.3	-33.6	176.1	-75.5	171.9	-39.9	0	0	111.9	L652 I653 T658 H659 T660	L652-Q656 HydrophobicContact CD1-CG 4.18Å; L652-Q656 HydrophobicContact CG-CG 4.42Å; L652-Q656 WeakPolarHBondContact O-CG 3.29Å; L652-Q656 PolarHBondContact O-N 3.46Å; I653-Q656 PolarHBondContact O-N 2.81Å; Q656-T658 PolarHBondContact O-N 3.15Å; Q656-T658 VanDerWaalsContact O-N 3.09Å; Q656-H659 PolarHBondContact O-N 2.82Å; Q656-T660 PolarHBondContact O-N 2.99Å; Q656-T660 VanDerWaalsContact O-N 3.14Å; Q656-T660 PolarHBondContact O-OG1 3.22Å
657	R	82.9	Confident	80.3	Confident	56 Å²	56	72.3 Å²	72.3	21%	0.211	37%	0.368	C	S	.	.	H	α-helix	trans	-61.2	-17.7	172.4	-64.5	174.4	-176.6	176.6	-1.5	114.4	I653 V654 H655 T660 Q661 E662 C675	I653-R657 PolarHBondContact O-N 2.79Å; V654-R657 WeakPolarHBondContact O-CB 3.29Å; V654-R657 PolarHBondContact O-N 3.28Å; H655-R657 PolarHBondContact O-N 2.76Å; R657-T660 WeakPolarHBondContact CA-OG1 3.32Å; R657-Q661 WeakPolarHBondContact O-CA 3.44Å; R657-Q661 PolarHBondContact O-N 3.06Å; R657-Q661 VanDerWaalsContact O-N 3.16Å; R657-E662 PolarHBondContact O-N 3.31Å; R657-C675 HydrophobicContact CB-CB 4.22Å; R657-C675 WeakPolarHBondContact CD-O 3.29Å; R657-C675 PolarHBondContact NH1-O 3.18Å
658	T	77.8	Confident	80.6	Confident	78 Å²	78	77.7 Å²	77.7	48%	0.479	39%	0.393	S	S	.	.	H	α-helix	trans	-77.5	-25.1	174.8	69	0	0	0	0	112.5	H655 Q656	H655-T658 PolarHBondContact ND1-OG1 3.27Å; H655-T658 WeakPolarHBondContact O-CA 3.23Å; H655-T658 VanDerWaalsContact O-CB 3.3Å; H655-T658 WeakPolarHBondContact O-CB 3.23Å; H655-T658 PolarHBondContact O-N 3.39Å; H655-T658 PolarHBondContact O-OG1 2.85Å; Q656-T658 PolarHBondContact O-N 3.15Å; Q656-T658 VanDerWaalsContact O-N 3.09Å
659	H	78.8	Confident	80.8	Confident	69 Å²	69	81.2 Å²	81.2	32%	0.319	41%	0.41	S	S	.	.	H	α-helix	trans	-85.7	-44.5	175.3	-58.5	-55.5	0	0	0	111.2	C639 E641 C642 H655 Q656 Q661	C639-H659 PolarHBondContact SG-NE2 3.17Å; C639-H659 VanDerWaalsContact SG-NE2 3.39Å; E641-H659 WeakPolarHBondContact OE2-CB 2.9Å; E641-H659 IonicContact OE2-CD2 3.08Å; E641-H659 PolarHBondContact OE2-CD2 3Å; E641-H659 IonicContact OE2-CG 2.56Å; E641-H659 IonicContact OE2-NE2 3.31Å; C642-H659 PolarHBondContact SG-NE2 3.39Å; C642-H659 VanDerWaalsContact SG-NE2 3.39Å; H655-H659 AromaticContact CD2-NE2 3.89Å; H655-H659 AromaticContact CE1-CE1 3.98Å; H655-H659 AromaticContact CE1-NE2 3.5Å; H655-H659 PolarHBondContact CE1-NE2 3.33Å; H655-H659 AromaticContact NE2-CD2 3.97Å; H655-H659 AromaticContact NE2-CE1 3.9Å; H655-H659 AromaticContact NE2-NE2 3.08Å; H655-H659 PolarHBondContact NE2-NE2 2.87Å; Q656-H659 PolarHBondContact O-N 2.82Å; H659-Q661 PolarHBondContact O-N 3.46Å
660	T	74.5	Confident	81	Confident	72 Å²	72	77.3 Å²	77.3	44%	0.442	40%	0.399	S	S	.	.	S	Bend	trans	-75.6	-8.4	178.7	64	0	0	0	0	113.7	Q656 R657 E662	Q656-T660 PolarHBondContact O-N 2.99Å; Q656-T660 VanDerWaalsContact O-N 3.14Å; Q656-T660 PolarHBondContact O-OG1 3.22Å; R657-T660 WeakPolarHBondContact CA-OG1 3.32Å; T660-E662 PolarHBondContact O-N 3.13Å; T660-E662 WeakPolarHBondContact OG1-CG 3.24Å
661	Q	69.9	Low	81	Confident	155 Å²	155	75.3 Å²	75.3	72%	0.724	39%	0.39	S	S	*	.			trans	52.8	15.1	-171.6	-57.8	-170.6	14.6	0	0	114.9	R657 H659 K663	R657-Q661 WeakPolarHBondContact O-CA 3.44Å; R657-Q661 PolarHBondContact O-N 3.06Å; R657-Q661 VanDerWaalsContact O-N 3.16Å; H659-Q661 PolarHBondContact O-N 3.46Å; Q661-K663 PolarHBondContact O-N 3.23Å
662	E	74.3	Confident	81.1	Confident	115 Å²	115	79.6 Å²	79.6	54%	0.537	40%	0.403	S	S	.	.			trans	-62.9	120.9	176.3	-74.9	-177.9	179.2	0	0	110.1	R657 T660 P664	R657-E662 PolarHBondContact O-N 3.31Å; T660-E662 PolarHBondContact O-N 3.13Å; T660-E662 WeakPolarHBondContact OG1-CG 3.24Å; E662-P664 WeakPolarHBondContact O-CD 3.41Å
663	K	79.8	Confident	81.1	Confident	120 Å²	120	80.8 Å²	80.8	52%	0.522	41%	0.412	S	S	.	.			trans	-121.4	78.9	177.6	-71.1	164.6	171	-179.5	0	109.5	Q661 Y665 S673 F674	Q661-K663 PolarHBondContact O-N 3.23Å; K663-Y665 PolarHBondContact O-N 3.1Å; K663-Y665 VanDerWaalsContact O-N 3.15Å; K663-S673 WeakPolarHBondContact CD-O 3.42Å; K663-S673 WeakPolarHBondContact O-CB 3.44Å; K663-F674 CarbonylContact C-O 3.56Å; K663-F674 WeakPolarHBondContact CA-O 3.48Å
664	P	83.1	Confident	81.1	Confident	73 Å²	73	79.8 Å²	79.8	47%	0.474	41%	0.405	S	S	.	.			trans	-66	-19.3	-172.9	-20.4	33	0	0	0	113.8	E662	E662-P664 WeakPolarHBondContact O-CD 3.41Å
665	Y	83.8	Confident	81	Confident	74 Å²	74	79.5 Å²	79.5	29%	0.29	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	94.2	-173.2	-54.3	-73.3	0	0	0	109.9	K663 S673 F674 V676 K677	K663-Y665 PolarHBondContact O-N 3.1Å; K663-Y665 VanDerWaalsContact O-N 3.15Å; Y665-S673 CarbonylContact O-C 3.55Å; Y665-S673 VanDerWaalsContact O-CA 3.32Å; Y665-S673 WeakPolarHBondContact O-CA 3.31Å; Y665-F674 WeakPolarHBondContact CD2-O 3.37Å; Y665-F674 PolarHBondContact N-O 3.28Å; Y665-F674 PolarHBondContact O-N 3.31Å; Y665-V676 VanDerWaalsContact CD2-C 3.42Å; Y665-K677 HydrophobicContact CD1-CB 4.06Å; Y665-K677 HydrophobicContact CD1-CG 4.4Å; Y665-K677 HydrophobicContact CE1-CB 3.84Å; Y665-K677 HydrophobicContact CE1-CG 4.36Å; Y665-K677 HydrophobicContact CE2-CB 4.3Å; Y665-K677 VanDerWaalsContact CE2-N 3.33Å; Y665-K677 HydrophobicContact CG-CB 4.4Å
666	K	83.1	Confident	81	Confident	131 Å²	131	80.6 Å²	80.6	57%	0.57	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	133.6	177.7	-172.7	178.5	178	-174.9	0	110.6
667	C	88.8	Confident	81	Confident	1 Å²	1	83.2 Å²	83.2	1%	0.007	42%	0.423	C	S	.	.			trans	-76.4	126.9	169	176.8	0	0	0	0	109.6	E669 G671 K672 L680 H687	C667-E669 VanDerWaalsContact C-N 3.33Å; C667-G671 WeakPolarHBondContact O-CA 3.49Å; C667-G671 PolarHBondContact O-N 3.01Å; C667-K672 VanDerWaalsContact CB-O 3.29Å; C667-K672 WeakPolarHBondContact CB-O 3.34Å; C667-K672 PolarHBondContact N-O 3.41Å; C667-L680 HydrophobicContact CB-CD1 3.63Å; C667-H687 PolarHBondContact SG-NE2 3.21Å
668	N	83.4	Confident	81	Confident	154 Å²	154	84.4 Å²	84.4	82%	0.824	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-27.8	-178.1	-67.1	-21.2	0	0	0	112.6
669	E	82.1	Confident	81.2	Confident	129 Å²	129	81.7 Å²	81.7	60%	0.603	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-36.5	-174.8	-65.8	176.2	152.6	0	0	113.7	C667 H687	C667-E669 VanDerWaalsContact C-N 3.33Å; E669-H687 WeakPolarHBondContact OE2-CB 3.46Å; E669-H687 IonicContact OE2-CD2 3.06Å; E669-H687 PolarHBondContact OE2-CD2 2.92Å; E669-H687 IonicContact OE2-CG 3.1Å
670	C	84.2	Confident	81.5	Confident	50 Å²	50	79.3 Å²	79.3	34%	0.338	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	5.6	-177.9	78	0	0	0	0	114.5	K672 H683 H687	C670-K672 PolarHBondContact O-N 3.15Å; C670-H683 PolarHBondContact SG-NE2 3.02Å; C670-H687 PolarHBondContact SG-NE2 3.5Å; C670-H687 VanDerWaalsContact SG-NE2 3.43Å
671	G	80.6	Confident	81.9	Confident	35 Å²	35	79.2 Å²	79.2	36%	0.361	41%	0.414	S	S	.	.			trans	70.1	-2.7	176.9	0	0	0	0	0	115.9	C667 S673	C667-G671 WeakPolarHBondContact O-CA 3.49Å; C667-G671 PolarHBondContact O-N 3.01Å; G671-S673 PolarHBondContact O-N 3.39Å
672	K	84.1	Confident	82.5	Confident	125 Å²	125	74.3 Å²	74.3	54%	0.543	39%	0.392	S	S	.	.			trans	-67.4	132.1	179.6	-71.7	175.3	-175.9	165.2	0	111.1	C667 C670 F674	C667-K672 VanDerWaalsContact CB-O 3.29Å; C667-K672 WeakPolarHBondContact CB-O 3.34Å; C667-K672 PolarHBondContact N-O 3.41Å; C670-K672 PolarHBondContact O-N 3.15Å; K672-F674 HydrophobicContact CB-CE2 4Å; K672-F674 HydrophobicContact CB-CZ 4.18Å; K672-F674 WeakPolarHBondContact O-CE2 3.32Å
673	S	83.9	Confident	82.9	Confident	42 Å²	42	69.7 Å²	69.7	29%	0.294	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.7	-179.3	-49.9	0	0	0	0	112.7	K663 Y665 G671	K663-S673 WeakPolarHBondContact CD-O 3.42Å; K663-S673 WeakPolarHBondContact O-CB 3.44Å; Y665-S673 CarbonylContact O-C 3.55Å; Y665-S673 VanDerWaalsContact O-CA 3.32Å; Y665-S673 WeakPolarHBondContact O-CA 3.31Å; G671-S673 PolarHBondContact O-N 3.39Å
674	F	83	Confident	83	Confident	51 Å²	51	67 Å²	67	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.4	-176.6	-59.8	-90.4	0	0	0	111.3	K663 Y665 K672 L680 H683	K663-F674 CarbonylContact C-O 3.56Å; K663-F674 WeakPolarHBondContact CA-O 3.48Å; Y665-F674 WeakPolarHBondContact CD2-O 3.37Å; Y665-F674 PolarHBondContact N-O 3.28Å; Y665-F674 PolarHBondContact O-N 3.31Å; K672-F674 HydrophobicContact CB-CE2 4Å; K672-F674 HydrophobicContact CB-CZ 4.18Å; K672-F674 WeakPolarHBondContact O-CE2 3.32Å; F674-L680 HydrophobicContact CB-CB 4.45Å; F674-L680 HydrophobicContact CD2-CB 4.03Å; F674-L680 HydrophobicContact CD2-CD1 3.96Å; F674-L680 HydrophobicContact CE2-CD1 4.2Å; F674-L680 HydrophobicContact CG-CB 4.43Å; F674-H683 HydrophobicContact CE1-CB 3.95Å; F674-H683 HydrophobicContact CE2-CB 3.69Å; F674-H683 AromaticContact CE2-CD2 3.39Å; F674-H683 WeakPolarHBondContact CE2-CD2 3.41Å; F674-H683 AromaticContact CE2-CG 3.55Å; F674-H683 HydrophobicContact CZ-CB 3.31Å; F674-H683 AromaticContact CZ-CD2 3.52Å; F674-H683 AromaticContact CZ-CG 3.2Å; F674-H683 AromaticContact CZ-ND1 3.78Å
675	C	79	Confident	83.1	Confident	44 Å²	44	65.8 Å²	65.8	30%	0.297	35%	0.346	S	S	.	.	S	Bend	trans	-79.9	-18	178.1	54.8	0	0	0	0	113.5	R657	R657-C675 HydrophobicContact CB-CB 4.22Å; R657-C675 WeakPolarHBondContact CD-O 3.29Å; R657-C675 PolarHBondContact NH1-O 3.18Å
676	V	82.1	Confident	83	Confident	45 Å²	45	69.6 Å²	69.6	27%	0.273	36%	0.364	S	S	.	.	S	Bend	trans	-134.7	137.9	-178.6	-168.4	0	0	0	0	110.5	V654 Y665 S678 G679 L680	V654-V676 HydrophobicContact CB-CG2 4.44Å; V654-V676 HydrophobicContact CG1-CG2 3.38Å; V654-V676 HydrophobicContact CG2-CG2 4.2Å; Y665-V676 VanDerWaalsContact CD2-C 3.42Å; V676-S678 VanDerWaalsContact C-N 3.28Å; V676-S678 WeakPolarHBondContact CG1-OG 3.41Å; V676-S678 PolarHBondContact O-N 3.29Å; V676-G679 WeakPolarHBondContact O-CA 3.42Å; V676-G679 PolarHBondContact O-N 3.27Å; V676-L680 PolarHBondContact O-N 2.91Å
677	K	82.7	Confident	82.9	Confident	128 Å²	128	67.1 Å²	67.1	56%	0.557	35%	0.354	S	S	*	.	H	α-helix	trans	-56.2	-37.5	179.2	-172.5	174.3	-179.1	174.9	0	113.4	Y665 G679 L680 I681	Y665-K677 HydrophobicContact CD1-CB 4.06Å; Y665-K677 HydrophobicContact CD1-CG 4.4Å; Y665-K677 HydrophobicContact CE1-CB 3.84Å; Y665-K677 HydrophobicContact CE1-CG 4.36Å; Y665-K677 HydrophobicContact CE2-CB 4.3Å; Y665-K677 VanDerWaalsContact CE2-N 3.33Å; Y665-K677 HydrophobicContact CG-CB 4.4Å; K677-G679 PolarHBondContact O-N 3.41Å; K677-L680 WeakPolarHBondContact O-CB 3.23Å; K677-L680 PolarHBondContact O-N 3.03Å; K677-L680 VanDerWaalsContact O-N 3.16Å; K677-I681 HydrophobicContact CG-CD1 4.15Å; K677-I681 WeakPolarHBondContact O-CG1 3.27Å; K677-I681 PolarHBondContact O-N 3.29Å
678	S	81.9	Confident	82.5	Confident	81 Å²	81	70.7 Å²	70.7	57%	0.566	38%	0.376	S	S	*	.	H	α-helix	trans	-62.9	-31.3	176.1	57.3	0	0	0	0	112.9	V676 L682	V676-S678 VanDerWaalsContact C-N 3.28Å; V676-S678 WeakPolarHBondContact CG1-OG 3.41Å; V676-S678 PolarHBondContact O-N 3.29Å; S678-L682 VanDerWaalsContact O-CB 3.27Å; S678-L682 WeakPolarHBondContact O-CB 3.29Å; S678-L682 PolarHBondContact O-N 2.77Å; S678-L682 VanDerWaalsContact O-N 3.11Å
679	G	82.1	Confident	82.3	Confident	22 Å²	22	65.6 Å²	65.6	23%	0.227	36%	0.36	C	S	.	.	H	α-helix	trans	-68.8	-38.3	174.2	0	0	0	0	0	112.3	V676 K677 H683	V676-G679 WeakPolarHBondContact O-CA 3.42Å; V676-G679 PolarHBondContact O-N 3.27Å; K677-G679 PolarHBondContact O-N 3.41Å; G679-H683 VanDerWaalsContact O-CB 3.29Å; G679-H683 WeakPolarHBondContact O-CB 3.28Å; G679-H683 PolarHBondContact O-N 3.07Å
680	L	85.5	Confident	82.2	Confident	19 Å²	19	64.8 Å²	64.8	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-64.4	-52.1	173.7	174.5	62.4	0	0	0	111.4	C667 F674 V676 K677 L682 H683 E684	C667-L680 HydrophobicContact CB-CD1 3.63Å; F674-L680 HydrophobicContact CB-CB 4.45Å; F674-L680 HydrophobicContact CD2-CB 4.03Å; F674-L680 HydrophobicContact CD2-CD1 3.96Å; F674-L680 HydrophobicContact CE2-CD1 4.2Å; F674-L680 HydrophobicContact CG-CB 4.43Å; V676-L680 PolarHBondContact O-N 2.91Å; K677-L680 WeakPolarHBondContact O-CB 3.23Å; K677-L680 PolarHBondContact O-N 3.03Å; K677-L680 VanDerWaalsContact O-N 3.16Å; L680-L682 PolarHBondContact O-N 3.36Å; L680-H683 CarbonylContact O-C 3.51Å; L680-H683 WeakPolarHBondContact O-CA 3.22Å; L680-H683 WeakPolarHBondContact O-CB 3.47Å; L680-H683 PolarHBondContact O-N 3.42Å; L680-E684 HydrophobicContact CD1-CG 4.02Å; L680-E684 HydrophobicContact CG-CG 4.33Å; L680-E684 WeakPolarHBondContact O-CG 3.41Å; L680-E684 PolarHBondContact O-N 3.13Å
681	I	82.4	Confident	82.1	Confident	70 Å²	70	68.5 Å²	68.5	36%	0.359	37%	0.367	S	S	.	.	H	α-helix	trans	-56.8	-41.9	179.2	-65.5	167.4	0	0	0	111	K677 H683 E684 R685	K677-I681 HydrophobicContact CG-CD1 4.15Å; K677-I681 WeakPolarHBondContact O-CG1 3.27Å; K677-I681 PolarHBondContact O-N 3.29Å; I681-H683 VanDerWaalsContact C-N 3.27Å; I681-H683 PolarHBondContact O-N 2.9Å; I681-E684 PolarHBondContact O-N 2.99Å; I681-R685 WeakPolarHBondContact O-CG 3.46Å; I681-R685 PolarHBondContact O-N 3.49Å
682	L	81.7	Confident	82.3	Confident	52 Å²	52	70.4 Å²	70.4	27%	0.272	37%	0.372	S	S	.	.	H	α-helix	trans	-66.9	-32.1	178.3	-165.3	62.7	0	0	0	112.9	S678 L680 H704	S678-L682 VanDerWaalsContact O-CB 3.27Å; S678-L682 WeakPolarHBondContact O-CB 3.29Å; S678-L682 PolarHBondContact O-N 2.77Å; S678-L682 VanDerWaalsContact O-N 3.11Å; L680-L682 PolarHBondContact O-N 3.36Å; L682-H704 WeakPolarHBondContact CD1-CD2 3.46Å; L682-H704 VanDerWaalsContact CD1-NE2 3.31Å; L682-H704 WeakPolarHBondContact CD1-NE2 3.47Å; L682-H704 WeakPolarHBondContact CD2-CE1 3.48Å; L682-H704 WeakPolarHBondContact CD2-NE2 3.42Å; L682-H704 VanDerWaalsContact CG-NE2 3.27Å; L682-H704 WeakPolarHBondContact CG-NE2 3.17Å
683	H	83.8	Confident	82.3	Confident	17 Å²	17	68 Å²	68	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-75.3	-41.2	176.3	172.4	63.7	0	0	0	112	C670 F674 G679 L680 I681 R685 K686 H687	C670-H683 PolarHBondContact SG-NE2 3.02Å; F674-H683 HydrophobicContact CE1-CB 3.95Å; F674-H683 HydrophobicContact CE2-CB 3.69Å; F674-H683 AromaticContact CE2-CD2 3.39Å; F674-H683 WeakPolarHBondContact CE2-CD2 3.41Å; F674-H683 AromaticContact CE2-CG 3.55Å; F674-H683 HydrophobicContact CZ-CB 3.31Å; F674-H683 AromaticContact CZ-CD2 3.52Å; F674-H683 AromaticContact CZ-CG 3.2Å; F674-H683 AromaticContact CZ-ND1 3.78Å; G679-H683 VanDerWaalsContact O-CB 3.29Å; G679-H683 WeakPolarHBondContact O-CB 3.28Å; G679-H683 PolarHBondContact O-N 3.07Å; L680-H683 CarbonylContact O-C 3.51Å; L680-H683 WeakPolarHBondContact O-CA 3.22Å; L680-H683 WeakPolarHBondContact O-CB 3.47Å; L680-H683 PolarHBondContact O-N 3.42Å; I681-H683 VanDerWaalsContact C-N 3.27Å; I681-H683 PolarHBondContact O-N 2.9Å; H683-R685 PolarHBondContact O-N 3.31Å; H683-K686 WeakPolarHBondContact O-CB 3.36Å; H683-K686 PolarHBondContact O-N 3.44Å; H683-H687 AromaticContact CD2-NE2 3.77Å; H683-H687 AromaticContact CE1-CE1 3.83Å; H683-H687 AromaticContact CE1-NE2 3.47Å; H683-H687 PolarHBondContact CE1-NE2 3.14Å; H683-H687 AromaticContact NE2-CD2 3.98Å; H683-H687 AromaticContact NE2-CE1 3.77Å; H683-H687 AromaticContact NE2-NE2 3.02Å; H683-H687 PolarHBondContact NE2-NE2 3.35Å
684	E	82.6	Confident	82.4	Confident	64 Å²	64	71.4 Å²	71.4	30%	0.299	37%	0.372	S	S	.	.	H	α-helix	trans	-57.8	-35.8	175.2	-72.8	170.1	163.3	0	0	111.6	L680 I681 K686 H687 T688	L680-E684 HydrophobicContact CD1-CG 4.02Å; L680-E684 HydrophobicContact CG-CG 4.33Å; L680-E684 WeakPolarHBondContact O-CG 3.41Å; L680-E684 PolarHBondContact O-N 3.13Å; I681-E684 PolarHBondContact O-N 2.99Å; E684-K686 PolarHBondContact O-N 3.25Å; E684-H687 PolarHBondContact O-N 3.11Å; E684-T688 PolarHBondContact O-N 3.45Å; E684-T688 PolarHBondContact O-OG1 3.3Å
685	R	85.1	Confident	82.6	Confident	47 Å²	47	69 Å²	69	18%	0.177	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-18.8	171.7	-69.5	-179.8	-173.5	157.3	6.2	114.9	I681 H683 T688 G689 E690 S703	I681-R685 WeakPolarHBondContact O-CG 3.46Å; I681-R685 PolarHBondContact O-N 3.49Å; H683-R685 PolarHBondContact O-N 3.31Å; R685-T688 WeakPolarHBondContact CA-OG1 3.37Å; R685-G689 WeakPolarHBondContact O-CA 3.31Å; R685-G689 PolarHBondContact O-N 3.49Å; R685-E690 HydrophobicContact CG-CB 4.17Å; R685-E690 PolarHBondContact O-N 2.67Å; R685-S703 PolarHBondContact NH1-O 2.97Å
686	K	81.2	Confident	82.8	Confident	155 Å²	155	74.2 Å²	74.2	67%	0.674	39%	0.386	S	S	*	.	H	α-helix	trans	-77	-28.7	174.1	-63.1	-171.4	173.2	-171.1	0	112.3	H683 E684	H683-K686 WeakPolarHBondContact O-CB 3.36Å; H683-K686 PolarHBondContact O-N 3.44Å; E684-K686 PolarHBondContact O-N 3.25Å
687	H	81.4	Confident	82.8	Confident	78 Å²	78	77.3 Å²	77.3	36%	0.361	40%	0.398	S	S	.	.	H	α-helix	trans	-83.9	-44.7	177.4	-56.2	-51.2	0	0	0	110.5	C667 E669 C670 H683 E684 G689	C667-H687 PolarHBondContact SG-NE2 3.21Å; E669-H687 WeakPolarHBondContact OE2-CB 3.46Å; E669-H687 IonicContact OE2-CD2 3.06Å; E669-H687 PolarHBondContact OE2-CD2 2.92Å; E669-H687 IonicContact OE2-CG 3.1Å; C670-H687 PolarHBondContact SG-NE2 3.5Å; C670-H687 VanDerWaalsContact SG-NE2 3.43Å; H683-H687 AromaticContact CD2-NE2 3.77Å; H683-H687 AromaticContact CE1-CE1 3.83Å; H683-H687 AromaticContact CE1-NE2 3.47Å; H683-H687 PolarHBondContact CE1-NE2 3.14Å; H683-H687 AromaticContact NE2-CD2 3.98Å; H683-H687 AromaticContact NE2-CE1 3.77Å; H683-H687 AromaticContact NE2-NE2 3.02Å; H683-H687 PolarHBondContact NE2-NE2 3.35Å; E684-H687 PolarHBondContact O-N 3.11Å; H687-G689 VanDerWaalsContact C-N 3.3Å; H687-G689 PolarHBondContact O-N 2.84Å
688	T	79.9	Confident	82.9	Confident	76 Å²	76	73.7 Å²	73.7	47%	0.466	39%	0.388	S	S	.	.	H	α-helix	trans	-77.6	-14.9	179.6	64.2	0	0	0	0	113.6	E684 R685 E690	E684-T688 PolarHBondContact O-N 3.45Å; E684-T688 PolarHBondContact O-OG1 3.3Å; R685-T688 WeakPolarHBondContact CA-OG1 3.37Å; T688-E690 PolarHBondContact O-N 3.02Å; T688-E690 WeakPolarHBondContact OG1-CG 3.04Å; T688-E690 PolarHBondContact OG1-N 3.18Å
689	G	78.9	Confident	82.8	Confident	47 Å²	47	71.8 Å²	71.8	49%	0.485	38%	0.381	S	S	.	.			trans	70.1	5.2	-176.1	0	0	0	0	0	114.4	R685 H687 K691	R685-G689 WeakPolarHBondContact O-CA 3.31Å; R685-G689 PolarHBondContact O-N 3.49Å; H687-G689 VanDerWaalsContact C-N 3.3Å; H687-G689 PolarHBondContact O-N 2.84Å; G689-K691 PolarHBondContact O-N 3.45Å
690	E	79.3	Confident	82.9	Confident	112 Å²	112	76.6 Å²	76.6	52%	0.523	40%	0.395	S	S	.	.			trans	-59.2	124.2	-177.9	-77.6	-178.9	-172.9	0	0	112.1	R685 T688 P692	R685-E690 HydrophobicContact CG-CB 4.17Å; R685-E690 PolarHBondContact O-N 2.67Å; T688-E690 PolarHBondContact O-N 3.02Å; T688-E690 WeakPolarHBondContact OG1-CG 3.04Å; T688-E690 PolarHBondContact OG1-N 3.18Å; E690-P692 WeakPolarHBondContact O-CD 3.35Å
691	K	83.7	Confident	82.9	Confident	129 Å²	129	77.7 Å²	77.7	56%	0.561	41%	0.405	S	S	*	.			trans	-122.4	77.2	176.3	-72.3	165.5	171.2	-177.6	0	110.1	G689 Y693 S701 F702	G689-K691 PolarHBondContact O-N 3.45Å; K691-Y693 PolarHBondContact O-N 3.2Å; K691-Y693 VanDerWaalsContact O-N 3.12Å; K691-S701 WeakPolarHBondContact CD-O 3.21Å; K691-S701 WeakPolarHBondContact O-CB 3.45Å; K691-F702 CarbonylContact C-O 3.59Å; K691-F702 WeakPolarHBondContact CA-O 3.49Å
692	P	84	Confident	83	Confident	74 Å²	74	76.6 Å²	76.6	48%	0.481	40%	0.397	S	S	.	.			trans	-70.8	-9.3	-171.6	-18.2	32.5	0	0	0	114.6	E690	E690-P692 WeakPolarHBondContact O-CD 3.35Å
693	Y	84.1	Confident	82.9	Confident	74 Å²	74	75.8 Å²	75.8	29%	0.29	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	89.8	-173.7	-58.8	-75	0	0	0	109.8	K691 S701 F702 K705	K691-Y693 PolarHBondContact O-N 3.2Å; K691-Y693 VanDerWaalsContact O-N 3.12Å; Y693-S701 CarbonylContact O-C 3.54Å; Y693-S701 WeakPolarHBondContact O-CA 3.42Å; Y693-F702 WeakPolarHBondContact CB-O 3.32Å; Y693-F702 PolarHBondContact N-O 2.79Å; Y693-F702 PolarHBondContact O-N 2.95Å; Y693-K705 HydrophobicContact CD1-CB 4.09Å; Y693-K705 HydrophobicContact CD1-CG 4.36Å; Y693-K705 HydrophobicContact CE1-CB 3.81Å; Y693-K705 HydrophobicContact CE1-CD 4.37Å; Y693-K705 HydrophobicContact CE1-CG 4.21Å; Y693-K705 HydrophobicContact CE2-CB 4.3Å; Y693-K705 HydrophobicContact CG-CB 4.44Å
694	E	85.3	Confident	82.8	Confident	114 Å²	114	77.7 Å²	77.7	53%	0.533	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.9	176.8	-172.6	171.6	172.6	0	0	111.7
695	C	87.8	Confident	82.7	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.419	C	S	.	.			trans	-85.4	114.1	171.1	-177.6	0	0	0	0	109.8	E697 C698 G699 K700 L708 H712	C695-E697 PolarHBondContact O-N 2.97Å; C695-E697 VanDerWaalsContact O-N 3.13Å; C695-C698 PolarHBondContact O-N 3.37Å; C695-G699 VanDerWaalsContact O-CA 3.28Å; C695-G699 WeakPolarHBondContact O-CA 3.2Å; C695-G699 PolarHBondContact O-N 3.35Å; C695-K700 WeakPolarHBondContact CB-O 3.3Å; C695-K700 PolarHBondContact N-O 3.16Å; C695-L708 HydrophobicContact CB-CD1 3.61Å; C695-H712 PolarHBondContact SG-CE1 3.06Å
696	N	82.9	Confident	82.5	Confident	154 Å²	154	82.6 Å²	82.6	82%	0.824	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.9	-180	-62	-17.9	0	0	0	113.7
697	E	82.4	Confident	82.5	Confident	111 Å²	111	76.6 Å²	76.6	52%	0.519	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-29	-177.7	-66	169.1	149.6	0	0	112.9	C695 H712 H715	C695-E697 PolarHBondContact O-N 2.97Å; C695-E697 VanDerWaalsContact O-N 3.13Å; E697-H712 IonicContact OE2-CE1 3.13Å; E697-H712 IonicContact OE2-ND1 3.27Å; E697-H712 PolarHBondContact OE2-ND1 2.92Å; E697-H715 WeakPolarHBondContact OE2-CB 3.12Å; E697-H715 IonicContact OE2-CD2 3.99Å; E697-H715 PolarHBondContact OE2-CD2 3.45Å; E697-H715 IonicContact OE2-CG 3.41Å; E697-H715 VanDerWaalsContact OE2-CG 3.31Å
698	C	84.2	Confident	82.7	Confident	52 Å²	52	73.9 Å²	73.9	35%	0.351	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	10.5	-176.2	80.7	0	0	0	0	114.9	C695 K700 H711 H715	C695-C698 PolarHBondContact O-N 3.37Å; C698-K700 PolarHBondContact O-N 2.89Å; C698-K700 VanDerWaalsContact SG-CG 3.55Å; C698-H711 PolarHBondContact SG-NE2 3.28Å; C698-H715 PolarHBondContact SG-NE2 2.83Å; C698-H715 VanDerWaalsContact SG-NE2 3.35Å
699	G	80.9	Confident	82.7	Confident	40 Å²	40	73.3 Å²	73.3	41%	0.412	40%	0.398	S	S	.	.			trans	64.5	7.9	178.3	0	0	0	0	0	115.3	C695 S701	C695-G699 VanDerWaalsContact O-CA 3.28Å; C695-G699 WeakPolarHBondContact O-CA 3.2Å; C695-G699 PolarHBondContact O-N 3.35Å; G699-S701 PolarHBondContact O-N 3.49Å
700	K	84.3	Confident	82.8	Confident	124 Å²	124	72.5 Å²	72.5	54%	0.539	38%	0.384	S	S	.	.			trans	-76.8	122.1	-178.9	-74.7	178.8	-175.1	173.5	0	109.9	C695 C698 F702	C695-K700 WeakPolarHBondContact CB-O 3.3Å; C695-K700 PolarHBondContact N-O 3.16Å; C698-K700 PolarHBondContact O-N 2.89Å; C698-K700 VanDerWaalsContact SG-CG 3.55Å; K700-F702 HydrophobicContact CB-CE2 3.81Å; K700-F702 HydrophobicContact CB-CZ 3.93Å; K700-F702 WeakPolarHBondContact O-CD2 3.41Å; K700-F702 WeakPolarHBondContact O-CE2 3.39Å
701	S	85.1	Confident	82.9	Confident	42 Å²	42	68.6 Å²	68.6	29%	0.294	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.1	179.5	-49.8	0	0	0	0	112.4	K691 Y693 G699	K691-S701 WeakPolarHBondContact CD-O 3.21Å; K691-S701 WeakPolarHBondContact O-CB 3.45Å; Y693-S701 CarbonylContact O-C 3.54Å; Y693-S701 WeakPolarHBondContact O-CA 3.42Å; G699-S701 PolarHBondContact O-N 3.49Å
702	F	83.6	Confident	82.6	Confident	46 Å²	46	65.1 Å²	65.1	20%	0.202	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.9	-177.1	-58.1	-89.1	0	0	0	111	K691 Y693 K700 H704 L708 H711	K691-F702 CarbonylContact C-O 3.59Å; K691-F702 WeakPolarHBondContact CA-O 3.49Å; Y693-F702 WeakPolarHBondContact CB-O 3.32Å; Y693-F702 PolarHBondContact N-O 2.79Å; Y693-F702 PolarHBondContact O-N 2.95Å; K700-F702 HydrophobicContact CB-CE2 3.81Å; K700-F702 HydrophobicContact CB-CZ 3.93Å; K700-F702 WeakPolarHBondContact O-CD2 3.41Å; K700-F702 WeakPolarHBondContact O-CE2 3.39Å; F702-H704 VanDerWaalsContact C-N 3.33Å; F702-L708 HydrophobicContact CB-CB 4.42Å; F702-L708 HydrophobicContact CD2-CB 3.96Å; F702-L708 HydrophobicContact CD2-CD1 3.77Å; F702-L708 HydrophobicContact CD2-CG 4.48Å; F702-L708 HydrophobicContact CE2-CD1 3.96Å; F702-L708 HydrophobicContact CG-CB 4.41Å; F702-H711 HydrophobicContact CE1-CB 4.19Å; F702-H711 HydrophobicContact CE2-CB 3.82Å; F702-H711 AromaticContact CE2-CD2 3.36Å; F702-H711 WeakPolarHBondContact CE2-CD2 3.42Å; F702-H711 AromaticContact CE2-CG 3.6Å; F702-H711 HydrophobicContact CZ-CB 3.52Å; F702-H711 AromaticContact CZ-CD2 3.51Å; F702-H711 AromaticContact CZ-CG 3.29Å; F702-H711 AromaticContact CZ-ND1 3.8Å
703	S	81	Confident	82.4	Confident	36 Å²	36	66.4 Å²	66.4	25%	0.252	35%	0.346	S	S	.	.	S	Bend	trans	-78.9	-18.2	176.1	52.7	0	0	0	0	113.1	R685	R685-S703 PolarHBondContact NH1-O 2.97Å
704	H	80.1	Confident	82	Confident	56 Å²	56	65.3 Å²	65.3	26%	0.259	35%	0.353	S	S	.	.	S	Bend	trans	-124.5	136.3	-177.3	-64.9	-156.2	0	0	0	110.9	L682 F702 S706 S707 L708	L682-H704 WeakPolarHBondContact CD1-CD2 3.46Å; L682-H704 VanDerWaalsContact CD1-NE2 3.31Å; L682-H704 WeakPolarHBondContact CD1-NE2 3.47Å; L682-H704 WeakPolarHBondContact CD2-CE1 3.48Å; L682-H704 WeakPolarHBondContact CD2-NE2 3.42Å; L682-H704 VanDerWaalsContact CG-NE2 3.27Å; L682-H704 WeakPolarHBondContact CG-NE2 3.17Å; F702-H704 VanDerWaalsContact C-N 3.33Å; H704-S706 VanDerWaalsContact C-N 3.31Å; H704-S706 PolarHBondContact O-N 3.02Å; H704-S707 WeakPolarHBondContact O-CB 3.4Å; H704-S707 PolarHBondContact O-N 3.14Å; H704-L708 PolarHBondContact O-N 3.23Å
705	K	82	Confident	81.6	Confident	139 Å²	139	63.6 Å²	63.6	60%	0.604	35%	0.345	S	S	*	.	H	α-helix	trans	-60.1	-38.5	173.2	-171.5	173.4	-177.4	174.1	0	112.7	Y693 S707 L708 T709	Y693-K705 HydrophobicContact CD1-CB 4.09Å; Y693-K705 HydrophobicContact CD1-CG 4.36Å; Y693-K705 HydrophobicContact CE1-CB 3.81Å; Y693-K705 HydrophobicContact CE1-CD 4.37Å; Y693-K705 HydrophobicContact CE1-CG 4.21Å; Y693-K705 HydrophobicContact CE2-CB 4.3Å; Y693-K705 HydrophobicContact CG-CB 4.44Å; K705-S707 VanDerWaalsContact C-N 3.3Å; K705-S707 PolarHBondContact O-N 3.49Å; K705-L708 PolarHBondContact O-N 3.47Å; K705-T709 PolarHBondContact O-N 2.94Å; K705-T709 PolarHBondContact O-OG1 2.95Å; K705-T709 VanDerWaalsContact O-OG1 3.05Å
706	S	80.2	Confident	80.7	Confident	76 Å²	76	67.3 Å²	67.3	53%	0.531	37%	0.367	S	S	.	.	H	α-helix	trans	-64.5	-33.9	177.9	54	0	0	0	0	112.9	H704 T709 V710	H704-S706 VanDerWaalsContact C-N 3.31Å; H704-S706 PolarHBondContact O-N 3.02Å; S706-T709 PolarHBondContact O-N 2.89Å; S706-V710 WeakPolarHBondContact O-CG2 3.29Å; S706-V710 PolarHBondContact O-N 2.93Å
707	S	82.1	Confident	80	Confident	29 Å²	29	62.8 Å²	62.8	20%	0.203	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-42.7	174	-62.1	0	0	0	0	111.2	H704 K705 V710 H711	H704-S707 WeakPolarHBondContact O-CB 3.4Å; H704-S707 PolarHBondContact O-N 3.14Å; K705-S707 VanDerWaalsContact C-N 3.3Å; K705-S707 PolarHBondContact O-N 3.49Å; S707-V710 PolarHBondContact O-N 3.39Å; S707-H711 VanDerWaalsContact O-CB 3.29Å; S707-H711 WeakPolarHBondContact O-CB 3.46Å; S707-H711 PolarHBondContact O-N 3.4Å
708	L	84.1	Confident	79.3	Confident	21 Å²	21	63.8 Å²	63.8	11%	0.11	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-44	173.1	177.4	63.8	0	0	0	111.5	C695 F702 H704 K705 V710 H711 H712	C695-L708 HydrophobicContact CB-CD1 3.61Å; F702-L708 HydrophobicContact CB-CB 4.42Å; F702-L708 HydrophobicContact CD2-CB 3.96Å; F702-L708 HydrophobicContact CD2-CD1 3.77Å; F702-L708 HydrophobicContact CD2-CG 4.48Å; F702-L708 HydrophobicContact CE2-CD1 3.96Å; F702-L708 HydrophobicContact CG-CB 4.41Å; H704-L708 PolarHBondContact O-N 3.23Å; K705-L708 PolarHBondContact O-N 3.47Å; L708-V710 PolarHBondContact O-N 2.94Å; L708-H711 CarbonylContact O-C 3.53Å; L708-H711 WeakPolarHBondContact O-CB 3.49Å; L708-H711 PolarHBondContact O-N 3.42Å; L708-H711 VanDerWaalsContact O-N 3.14Å; L708-H712 WeakPolarHBondContact CD1-NE2 3.17Å; L708-H712 PolarHBondContact O-CD2 3.4Å; L708-H712 PolarHBondContact O-N 3.07Å
709	T	81.6	Confident	78	Confident	64 Å²	64	70.7 Å²	70.7	39%	0.393	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-41.9	176.7	-54.2	0	0	0	0	112.5	K705 S706 H711 R713	K705-T709 PolarHBondContact O-N 2.94Å; K705-T709 PolarHBondContact O-OG1 2.95Å; K705-T709 VanDerWaalsContact O-OG1 3.05Å; S706-T709 PolarHBondContact O-N 2.89Å; T709-H711 VanDerWaalsContact C-N 3.29Å; T709-R713 WeakPolarHBondContact O-CG 3.32Å; T709-R713 PolarHBondContact O-N 2.63Å
710	V	79.8	Confident	77.4	Confident	30 Å²	30	69.5 Å²	69.5	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-66.4	-36.2	174.8	173.3	0	0	0	0	110.9	S706 S707 L708 R713 R732	S706-V710 WeakPolarHBondContact O-CG2 3.29Å; S706-V710 PolarHBondContact O-N 2.93Å; S707-V710 PolarHBondContact O-N 3.39Å; L708-V710 PolarHBondContact O-N 2.94Å; V710-R713 WeakPolarHBondContact O-CB 3.42Å; V710-R713 PolarHBondContact O-N 3.13Å; V710-R732 HydrophobicContact CG1-CG 3.83Å; V710-R732 HydrophobicContact CG2-CG 4.14Å
711	H	81.9	Confident	76.7	Confident	30 Å²	30	65.5 Å²	65.5	14%	0.139	36%	0.358	C	S	.	.	H	α-helix	trans	-67.3	-42.8	177.1	175.3	62.4	0	0	0	112.6	C698 F702 S707 L708 T709 R713 A714 H715	C698-H711 PolarHBondContact SG-NE2 3.28Å; F702-H711 HydrophobicContact CE1-CB 4.19Å; F702-H711 HydrophobicContact CE2-CB 3.82Å; F702-H711 AromaticContact CE2-CD2 3.36Å; F702-H711 WeakPolarHBondContact CE2-CD2 3.42Å; F702-H711 AromaticContact CE2-CG 3.6Å; F702-H711 HydrophobicContact CZ-CB 3.52Å; F702-H711 AromaticContact CZ-CD2 3.51Å; F702-H711 AromaticContact CZ-CG 3.29Å; F702-H711 AromaticContact CZ-ND1 3.8Å; S707-H711 VanDerWaalsContact O-CB 3.29Å; S707-H711 WeakPolarHBondContact O-CB 3.46Å; S707-H711 PolarHBondContact O-N 3.4Å; L708-H711 CarbonylContact O-C 3.53Å; L708-H711 WeakPolarHBondContact O-CB 3.49Å; L708-H711 PolarHBondContact O-N 3.42Å; L708-H711 VanDerWaalsContact O-N 3.14Å; T709-H711 VanDerWaalsContact C-N 3.29Å; H711-R713 PolarHBondContact O-N 3.35Å; H711-A714 WeakPolarHBondContact O-CB 2.87Å; H711-A714 PolarHBondContact O-N 3.46Å; H711-H715 AromaticContact CD2-NE2 3.82Å; H711-H715 AromaticContact CE1-CE1 3.99Å; H711-H715 AromaticContact CE1-NE2 3.4Å; H711-H715 PolarHBondContact CE1-NE2 3.3Å; H711-H715 AromaticContact NE2-CD2 3.77Å; H711-H715 AromaticContact NE2-CE1 3.95Å; H711-H715 AromaticContact NE2-NE2 3.01Å; H711-H715 PolarHBondContact NE2-NE2 3.05Å
712	H	76.8	Confident	76.2	Confident	56 Å²	56	68.2 Å²	68.2	26%	0.259	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-32.1	174.8	-85.6	-69.7	0	0	0	113	C695 E697 L708 A714 H715 T716	C695-H712 PolarHBondContact SG-CE1 3.06Å; E697-H712 IonicContact OE2-CE1 3.13Å; E697-H712 IonicContact OE2-ND1 3.27Å; E697-H712 PolarHBondContact OE2-ND1 2.92Å; L708-H712 WeakPolarHBondContact CD1-NE2 3.17Å; L708-H712 PolarHBondContact O-CD2 3.4Å; L708-H712 PolarHBondContact O-N 3.07Å; H712-A714 PolarHBondContact O-N 2.75Å; H712-H715 PolarHBondContact O-N 2.87Å; H712-T716 PolarHBondContact O-N 3.29Å; H712-T716 PolarHBondContact O-OG1 2.92Å
713	R	80.1	Confident	76.1	Confident	100 Å²	100	66.1 Å²	66.1	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-21.8	173.7	-66.8	173.4	-176.9	174.3	-2.1	113.4	T709 V710 H711 G717 Y731	T709-R713 WeakPolarHBondContact O-CG 3.32Å; T709-R713 PolarHBondContact O-N 2.63Å; V710-R713 WeakPolarHBondContact O-CB 3.42Å; V710-R713 PolarHBondContact O-N 3.13Å; H711-R713 PolarHBondContact O-N 3.35Å; R713-G717 PolarHBondContact O-N 2.8Å; R713-Y731 HydrophobicContact CB-CD1 4.26Å
714	A	76.2	Confident	76.1	Confident	51 Å²	51	71.8 Å²	71.8	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-76.7	-25.9	173.5	0	0	0	0	0	112.3	H711 H712	H711-A714 WeakPolarHBondContact O-CB 2.87Å; H711-A714 PolarHBondContact O-N 3.46Å; H712-A714 PolarHBondContact O-N 2.75Å
715	H	75.8	Confident	76	Confident	79 Å²	79	75.3 Å²	75.3	37%	0.366	40%	0.401	S	S	.	.	H	α-helix	trans	-85.3	-43.7	175.6	-64.3	-54.1	0	0	0	112	E697 C698 H711 H712 G717	E697-H715 WeakPolarHBondContact OE2-CB 3.12Å; E697-H715 IonicContact OE2-CD2 3.99Å; E697-H715 PolarHBondContact OE2-CD2 3.45Å; E697-H715 IonicContact OE2-CG 3.41Å; E697-H715 VanDerWaalsContact OE2-CG 3.31Å; C698-H715 PolarHBondContact SG-NE2 2.83Å; C698-H715 VanDerWaalsContact SG-NE2 3.35Å; H711-H715 AromaticContact CD2-NE2 3.82Å; H711-H715 AromaticContact CE1-CE1 3.99Å; H711-H715 AromaticContact CE1-NE2 3.4Å; H711-H715 PolarHBondContact CE1-NE2 3.3Å; H711-H715 AromaticContact NE2-CD2 3.77Å; H711-H715 AromaticContact NE2-CE1 3.95Å; H711-H715 AromaticContact NE2-NE2 3.01Å; H711-H715 PolarHBondContact NE2-NE2 3.05Å; H712-H715 PolarHBondContact O-N 2.87Å; H715-G717 VanDerWaalsContact C-N 3.29Å; H715-G717 PolarHBondContact O-N 3.29Å
716	T	70.7	Confident	75.9	Confident	78 Å²	78	71.2 Å²	71.2	48%	0.479	39%	0.389	S	S	.	.	H	α-helix	trans	-77.8	-13	-176.4	60.7	0	0	0	0	113.9	H712 E718	H712-T716 PolarHBondContact O-N 3.29Å; H712-T716 PolarHBondContact O-OG1 2.92Å; T716-E718 PolarHBondContact O-N 3.49Å
717	G	66.3	Low	75.8	Confident	59 Å²	59	69.2 Å²	69.2	61%	0.608	38%	0.381	S	S	*	.			trans	61.5	11.9	-175.1	0	0	0	0	0	114.1	R713 H715 K719	R713-G717 PolarHBondContact O-N 2.8Å; H715-G717 VanDerWaalsContact C-N 3.29Å; H715-G717 PolarHBondContact O-N 3.29Å; G717-K719 PolarHBondContact O-N 3.13Å; G717-K719 VanDerWaalsContact O-N 3.17Å
718	E	69	Low	75.6	Confident	131 Å²	131	73.9 Å²	73.9	61%	0.612	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-57.3	121	178.7	-92.3	-172.5	151.5	0	0	110	T716 S720	T716-E718 PolarHBondContact O-N 3.49Å; E718-S720 PolarHBondContact O-N 2.92Å
719	K	57.6	Low	75.1	Confident	198 Å²	198	77.5 Å²	77.5	86%	0.861	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-47.6	118	-175.3	-81.4	-176.5	179	178.8	0	111	G717	G717-K719 PolarHBondContact O-N 3.13Å; G717-K719 VanDerWaalsContact O-N 3.17Å
720	S	67.9	Low	74.9	Confident	14 Å²	14	76.4 Å²	76.4	10%	0.098	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-102.2	169.8	173.3	60	0	0	0	0	110	E718 Q722 I729 F730 Y731	E718-S720 PolarHBondContact O-N 2.92Å; S720-Q722 PolarHBondContact O-N 3.44Å; S720-I729 WeakPolarHBondContact OG-CG2 3.4Å; S720-F730 CarbonylContact C-O 3.52Å; S720-F730 WeakPolarHBondContact CB-O 3.27Å; S720-F730 PolarHBondContact OG-O 3.07Å; S720-F730 VanDerWaalsContact OG-O 3.12Å; S720-Y731 VanDerWaalsContact CB-CA 3.49Å; S720-Y731 WeakPolarHBondContact OG-CA 3.24Å; S720-Y731 WeakPolarHBondContact OG-CD1 3.43Å; S720-Y731 PolarHBondContact OG-N 2.56Å
721	C	68.1	Low	74.5	Confident	40 Å²	40	80.3 Å²	80.3	27%	0.27	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	111.9	-163.4	-53.7	0	0	0	0	110.8	F730 K733 L736	C721-F730 PolarHBondContact N-O 3.35Å; C721-F730 PolarHBondContact O-N 3.31Å; C721-K733 WeakPolarHBondContact SG-CG 3.43Å; C721-L736 HydrophobicContact CB-CB 4.23Å; C721-L736 HydrophobicContact CB-CD2 3.4Å; C721-L736 VanDerWaalsContact CB-CD2 3.4Å; C721-L736 HydrophobicContact CB-CG 4.41Å
722	Q	76.1	Confident	74.2	Confident	100 Å²	100	84.3 Å²	84.3	47%	0.467	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	136.9	-179.6	-176	176.3	-8.3	0	0	109.6	S720 N724	S720-Q722 PolarHBondContact O-N 3.44Å; Q722-N724 PolarHBondContact O-N 3.08Å
723	C	81.1	Confident	74.3	Confident	1 Å²	1	89.6 Å²	89.6	1%	0.007	46%	0.455	C	S	.	.			trans	-71.6	121.8	167.3	-178.9	0	0	0	0	109.3	E725 G727 K728 F730 L736 H743	C723-E725 PolarHBondContact O-N 3.14Å; C723-G727 VanDerWaalsContact O-CA 3.23Å; C723-G727 WeakPolarHBondContact O-CA 3.36Å; C723-G727 PolarHBondContact O-N 2.94Å; C723-K728 PolarHBondContact N-O 3.44Å; C723-F730 HydrophobicContact CB-CE2 4.44Å; C723-L736 HydrophobicContact CB-CD1 3.72Å; C723-H743 VanDerWaalsContact SG-CD2 3.58Å; C723-H743 PolarHBondContact SG-NE2 3.39Å
724	N	79.9	Confident	74.3	Confident	155 Å²	155	87.8 Å²	87.8	83%	0.829	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.7	179.3	-64.8	-15.4	0	0	0	112.7	Q722	Q722-N724 PolarHBondContact O-N 3.08Å
725	E	77.9	Confident	74.5	Confident	130 Å²	130	87.7 Å²	87.7	61%	0.607	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-36.7	-175.5	-67.4	171.2	162.6	0	0	113.2	C723 H743	C723-E725 PolarHBondContact O-N 3.14Å; E725-H743 WeakPolarHBondContact OE2-CB 3.35Å; E725-H743 IonicContact OE2-CD2 3.02Å; E725-H743 PolarHBondContact OE2-CD2 2.99Å; E725-H743 IonicContact OE2-CG 2.99Å
726	C	81.5	Confident	74.8	Confident	53 Å²	53	84.8 Å²	84.8	36%	0.358	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	7.7	-176.8	83.2	0	0	0	0	114.7	K728 H739 H743	C726-K728 PolarHBondContact O-N 3.22Å; C726-H739 VanDerWaalsContact SG-CE1 3.51Å; C726-H739 PolarHBondContact SG-NE2 3.35Å; C726-H743 VanDerWaalsContact CB-CE1 3.49Å; C726-H743 WeakPolarHBondContact CB-CE1 3.26Å; C726-H743 PolarHBondContact SG-NE2 3.03Å; C726-H743 VanDerWaalsContact SG-NE2 3.36Å
727	G	76.7	Confident	75.3	Confident	35 Å²	35	83 Å²	83	36%	0.361	43%	0.43	S	S	.	.			trans	68.6	0.3	175.1	0	0	0	0	0	116.5	C723	C723-G727 VanDerWaalsContact O-CA 3.23Å; C723-G727 WeakPolarHBondContact O-CA 3.36Å; C723-G727 PolarHBondContact O-N 2.94Å
728	K	78.2	Confident	76	Confident	127 Å²	127	84.6 Å²	84.6	55%	0.552	42%	0.42	S	S	*	.			trans	-66.6	135.7	179.8	-74	179.6	-177.1	178.2	0	111.1	C723 C726 F730	C723-K728 PolarHBondContact N-O 3.44Å; C726-K728 PolarHBondContact O-N 3.22Å; K728-F730 HydrophobicContact CB-CE2 3.59Å; K728-F730 HydrophobicContact CB-CZ 3.97Å; K728-F730 WeakPolarHBondContact O-CD2 3.22Å; K728-F730 WeakPolarHBondContact O-CE2 2.96Å
729	I	73.4	Confident	76.7	Confident	96 Å²	96	79.5 Å²	79.5	49%	0.492	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.6	-175.7	-61.4	172.6	0	0	0	109.6	S720	S720-I729 WeakPolarHBondContact OG-CG2 3.4Å
730	F	77.6	Confident	77.8	Confident	42 Å²	42	73.9 Å²	73.9	18%	0.184	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.2	-179.1	-64.6	-91.1	0	0	0	112.7	S720 C721 C723 K728 R732 D735 L736 H739	S720-F730 CarbonylContact C-O 3.52Å; S720-F730 WeakPolarHBondContact CB-O 3.27Å; S720-F730 PolarHBondContact OG-O 3.07Å; S720-F730 VanDerWaalsContact OG-O 3.12Å; C721-F730 PolarHBondContact N-O 3.35Å; C721-F730 PolarHBondContact O-N 3.31Å; C723-F730 HydrophobicContact CB-CE2 4.44Å; K728-F730 HydrophobicContact CB-CE2 3.59Å; K728-F730 HydrophobicContact CB-CZ 3.97Å; K728-F730 WeakPolarHBondContact O-CD2 3.22Å; K728-F730 WeakPolarHBondContact O-CE2 2.96Å; F730-R732 PolarHBondContact O-N 2.99Å; F730-D735 HydrophobicContact CD1-CB 4.02Å; F730-L736 HydrophobicContact CB-CB 4.05Å; F730-L736 HydrophobicContact CD2-CB 4.14Å; F730-L736 HydrophobicContact CD2-CD1 3.77Å; F730-L736 HydrophobicContact CE2-CD1 4.15Å; F730-L736 HydrophobicContact CG-CB 4.2Å; F730-H739 HydrophobicContact CE1-CB 3.77Å; F730-H739 HydrophobicContact CE2-CB 3.83Å; F730-H739 AromaticContact CE2-CD2 3.13Å; F730-H739 WeakPolarHBondContact CE2-CD2 3.27Å; F730-H739 AromaticContact CE2-CG 3.5Å; F730-H739 AromaticContact CE2-NE2 3.81Å; F730-H739 HydrophobicContact CZ-CB 3.33Å; F730-H739 AromaticContact CZ-CD2 3.32Å; F730-H739 WeakPolarHBondContact CZ-CD2 3.32Å; F730-H739 AromaticContact CZ-CG 3.14Å; F730-H739 AromaticContact CZ-ND1 3.77Å; F730-H739 AromaticContact CZ-NE2 3.95Å
731	Y	72.8	Confident	78.5	Confident	112 Å²	112	76.1 Å²	76.1	44%	0.439	38%	0.379	S	S	.	.	S	Bend	trans	-66.6	-17.3	-179.3	-55.9	-73.2	0	0	0	114.9	R713 S720	R713-Y731 HydrophobicContact CB-CD1 4.26Å; S720-Y731 VanDerWaalsContact CB-CA 3.49Å; S720-Y731 WeakPolarHBondContact OG-CA 3.24Å; S720-Y731 WeakPolarHBondContact OG-CD1 3.43Å; S720-Y731 PolarHBondContact OG-N 2.56Å
732	R	74.8	Confident	79	Confident	113 Å²	113	77.9 Å²	77.9	43%	0.426	39%	0.392	S	S	.	.	S	Bend	trans	-128.9	137.8	176.8	-58.6	-179.1	174.9	167.4	2.1	111.5	V710 F730 S734 D735 L736	V710-R732 HydrophobicContact CG1-CG 3.83Å; V710-R732 HydrophobicContact CG2-CG 4.14Å; F730-R732 PolarHBondContact O-N 2.99Å; R732-S734 PolarHBondContact O-N 3.46Å; R732-D735 HydrophobicContact CB-CB 4.38Å; R732-D735 WeakPolarHBondContact CB-OD2 3.37Å; R732-D735 WeakPolarHBondContact CD-OD2 3.25Å; R732-D735 PolarHBondContact O-N 2.89Å; R732-L736 PolarHBondContact O-N 3.33Å; R732-L736 VanDerWaalsContact O-N 3.14Å
733	K	78.6	Confident	79.1	Confident	168 Å²	168	76.6 Å²	76.6	73%	0.73	39%	0.386	S	S	*	.	H	α-helix	trans	-56.5	-35.5	173.2	-76	-173.3	177.9	-173	0	113.2	C721 D735 L736 A737	C721-K733 WeakPolarHBondContact SG-CG 3.43Å; K733-D735 VanDerWaalsContact C-N 3.27Å; K733-D735 PolarHBondContact O-N 3.07Å; K733-L736 PolarHBondContact O-N 3.04Å; K733-A737 WeakPolarHBondContact O-CB 3.31Å; K733-A737 PolarHBondContact O-N 3.5Å
734	S	80	Confident	79	Confident	62 Å²	62	80.3 Å²	80.3	43%	0.434	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-33	176.8	56.1	0	0	0	0	112.9	R732 K738	R732-S734 PolarHBondContact O-N 3.46Å; S734-K738 VanDerWaalsContact O-CG 3.27Å; S734-K738 WeakPolarHBondContact O-CG 3.32Å; S734-K738 PolarHBondContact O-N 3.06Å
735	D	81.3	Confident	78.7	Confident	48 Å²	48	75.3 Å²	75.3	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-82.5	-34.6	-177.7	-59.5	-30.2	0	0	0	110.4	F730 R732 K733 K738 H739	F730-D735 HydrophobicContact CD1-CB 4.02Å; R732-D735 HydrophobicContact CB-CB 4.38Å; R732-D735 WeakPolarHBondContact CB-OD2 3.37Å; R732-D735 WeakPolarHBondContact CD-OD2 3.25Å; R732-D735 PolarHBondContact O-N 2.89Å; K733-D735 VanDerWaalsContact C-N 3.27Å; K733-D735 PolarHBondContact O-N 3.07Å; D735-K738 PolarHBondContact O-N 3.45Å; D735-K738 IonicContact OD1-NZ 3.11Å; D735-K738 PolarHBondContact OD1-NZ 2.67Å; D735-H739 VanDerWaalsContact O-CB 3.32Å; D735-H739 WeakPolarHBondContact O-CB 3.2Å; D735-H739 PolarHBondContact O-N 2.93Å
736	L	82.5	Confident	78.7	Confident	19 Å²	19	74.5 Å²	74.5	10%	0.099	39%	0.39	C	S	.	.	H	α-helix	trans	-58.7	-47.9	164.6	176.9	61.7	0	0	0	111.4	C721 C723 F730 R732 K733 K738 H739 Q740	C721-L736 HydrophobicContact CB-CB 4.23Å; C721-L736 HydrophobicContact CB-CD2 3.4Å; C721-L736 VanDerWaalsContact CB-CD2 3.4Å; C721-L736 HydrophobicContact CB-CG 4.41Å; C723-L736 HydrophobicContact CB-CD1 3.72Å; F730-L736 HydrophobicContact CB-CB 4.05Å; F730-L736 HydrophobicContact CD2-CB 4.14Å; F730-L736 HydrophobicContact CD2-CD1 3.77Å; F730-L736 HydrophobicContact CE2-CD1 4.15Å; F730-L736 HydrophobicContact CG-CB 4.2Å; R732-L736 PolarHBondContact O-N 3.33Å; R732-L736 VanDerWaalsContact O-N 3.14Å; K733-L736 PolarHBondContact O-N 3.04Å; L736-K738 VanDerWaalsContact C-N 3.32Å; L736-K738 PolarHBondContact O-N 2.56Å; L736-H739 CarbonylContact O-C 3.37Å; L736-H739 WeakPolarHBondContact O-CA 3.45Å; L736-H739 WeakPolarHBondContact O-CB 3.31Å; L736-H739 PolarHBondContact O-N 2.92Å; L736-Q740 HydrophobicContact CD1-CG 4.03Å; L736-Q740 HydrophobicContact CG-CG 4.27Å; L736-Q740 WeakPolarHBondContact O-CG 3.35Å; L736-Q740 PolarHBondContact O-N 3.14Å
737	A	81	Confident	78.7	Confident	40 Å²	40	77.8 Å²	77.8	33%	0.331	40%	0.398	S	S	.	.	H	α-helix	trans	-62.8	-36.6	-179.8	0	0	0	0	0	112.8	K733 H739	K733-A737 WeakPolarHBondContact O-CB 3.31Å; K733-A737 PolarHBondContact O-N 3.5Å; A737-H739 VanDerWaalsContact C-N 3.35Å
738	K	81.1	Confident	79	Confident	93 Å²	93	79.6 Å²	79.6	40%	0.404	40%	0.404	S	S	.	.	H	α-helix	trans	-66.6	-38.2	171.8	-71.8	168.4	-165.7	162.4	0	111.8	S734 D735 L736 R741	S734-K738 VanDerWaalsContact O-CG 3.27Å; S734-K738 WeakPolarHBondContact O-CG 3.32Å; S734-K738 PolarHBondContact O-N 3.06Å; D735-K738 PolarHBondContact O-N 3.45Å; D735-K738 IonicContact OD1-NZ 3.11Å; D735-K738 PolarHBondContact OD1-NZ 2.67Å; L736-K738 VanDerWaalsContact C-N 3.32Å; L736-K738 PolarHBondContact O-N 2.56Å; K738-R741 WeakPolarHBondContact O-CB 3.38Å; K738-R741 PolarHBondContact O-N 3.46Å
739	H	82.3	Confident	79.1	Confident	23 Å²	23	76.9 Å²	76.9	11%	0.106	39%	0.39	C	S	.	.	H	α-helix	trans	-70.8	-38.5	178.5	169.6	60.9	0	0	0	112.3	C726 F730 D735 L736 A737 R741 S742 H743	C726-H739 VanDerWaalsContact SG-CE1 3.51Å; C726-H739 PolarHBondContact SG-NE2 3.35Å; F730-H739 HydrophobicContact CE1-CB 3.77Å; F730-H739 HydrophobicContact CE2-CB 3.83Å; F730-H739 AromaticContact CE2-CD2 3.13Å; F730-H739 WeakPolarHBondContact CE2-CD2 3.27Å; F730-H739 AromaticContact CE2-CG 3.5Å; F730-H739 AromaticContact CE2-NE2 3.81Å; F730-H739 HydrophobicContact CZ-CB 3.33Å; F730-H739 AromaticContact CZ-CD2 3.32Å; F730-H739 WeakPolarHBondContact CZ-CD2 3.32Å; F730-H739 AromaticContact CZ-CG 3.14Å; F730-H739 AromaticContact CZ-ND1 3.77Å; F730-H739 AromaticContact CZ-NE2 3.95Å; D735-H739 VanDerWaalsContact O-CB 3.32Å; D735-H739 WeakPolarHBondContact O-CB 3.2Å; D735-H739 PolarHBondContact O-N 2.93Å; L736-H739 CarbonylContact O-C 3.37Å; L736-H739 WeakPolarHBondContact O-CA 3.45Å; L736-H739 WeakPolarHBondContact O-CB 3.31Å; L736-H739 PolarHBondContact O-N 2.92Å; A737-H739 VanDerWaalsContact C-N 3.35Å; H739-R741 PolarHBondContact O-N 2.86Å; H739-R741 VanDerWaalsContact O-N 3.17Å; H739-S742 PolarHBondContact ND1-OG 3.41Å; H739-S742 WeakPolarHBondContact O-CB 3.38Å; H739-S742 PolarHBondContact O-N 3.31Å; H739-S742 PolarHBondContact O-OG 3.13Å; H739-H743 AromaticContact CD2-NE2 3.93Å; H739-H743 AromaticContact CE1-CE1 3.77Å; H739-H743 AromaticContact CE1-NE2 3.3Å; H739-H743 PolarHBondContact CE1-NE2 2.78Å; H739-H743 VanDerWaalsContact CE1-NE2 3.3Å; H739-H743 AromaticContact NE2-CD2 3.9Å; H739-H743 AromaticContact NE2-CE1 3.9Å; H739-H743 AromaticContact NE2-NE2 3.05Å; H739-H743 PolarHBondContact NE2-NE2 3.07Å
740	Q	80.9	Confident	79.7	Confident	80 Å²	80	76.8 Å²	76.8	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-58.4	-31.1	175.5	-73.9	172.6	-50.2	0	0	112.2	L736 S742 H743 T744	L736-Q740 HydrophobicContact CD1-CG 4.03Å; L736-Q740 HydrophobicContact CG-CG 4.27Å; L736-Q740 WeakPolarHBondContact O-CG 3.35Å; L736-Q740 PolarHBondContact O-N 3.14Å; Q740-S742 PolarHBondContact O-N 3.15Å; Q740-H743 PolarHBondContact O-N 2.83Å; Q740-T744 PolarHBondContact O-N 3.01Å; Q740-T744 VanDerWaalsContact O-N 3.14Å; Q740-T744 PolarHBondContact O-OG1 2.94Å
741	R	82.5	Confident	80.1	Confident	61 Å²	61	74.8 Å²	74.8	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-64.5	-19	172.6	-62.4	175.5	-168	-179.5	-1.7	114.2	K738 H739 H743 G745 E746 Y749 S759	K738-R741 WeakPolarHBondContact O-CB 3.38Å; K738-R741 PolarHBondContact O-N 3.46Å; H739-R741 PolarHBondContact O-N 2.86Å; H739-R741 VanDerWaalsContact O-N 3.17Å; R741-H743 VanDerWaalsContact C-N 3.33Å; R741-G745 WeakPolarHBondContact O-CA 3.47Å; R741-G745 PolarHBondContact O-N 3.06Å; R741-G745 VanDerWaalsContact O-N 3.1Å; R741-E746 HydrophobicContact CG-CB 4.41Å; R741-E746 PolarHBondContact O-N 3.42Å; R741-Y749 VanDerWaalsContact NH1-CE2 3.33Å; R741-Y749 PolarHBondContact NH1-OH 2.81Å; R741-S759 PolarHBondContact NH1-O 3.32Å
742	S	78.3	Confident	80.6	Confident	78 Å²	78	76.3 Å²	76.3	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-76	-24	173	70.8	0	0	0	0	112.7	H739 Q740	H739-S742 PolarHBondContact ND1-OG 3.41Å; H739-S742 WeakPolarHBondContact O-CB 3.38Å; H739-S742 PolarHBondContact O-N 3.31Å; H739-S742 PolarHBondContact O-OG 3.13Å; Q740-S742 PolarHBondContact O-N 3.15Å
743	H	79.6	Confident	80.9	Confident	73 Å²	73	75.9 Å²	75.9	34%	0.338	41%	0.405	S	S	.	.	H	α-helix	trans	-85.5	-42.2	176	-60.6	-50.6	0	0	0	111.5	C723 E725 C726 H739 Q740 R741 G745	C723-H743 VanDerWaalsContact SG-CD2 3.58Å; C723-H743 PolarHBondContact SG-NE2 3.39Å; E725-H743 WeakPolarHBondContact OE2-CB 3.35Å; E725-H743 IonicContact OE2-CD2 3.02Å; E725-H743 PolarHBondContact OE2-CD2 2.99Å; E725-H743 IonicContact OE2-CG 2.99Å; C726-H743 VanDerWaalsContact CB-CE1 3.49Å; C726-H743 WeakPolarHBondContact CB-CE1 3.26Å; C726-H743 PolarHBondContact SG-NE2 3.03Å; C726-H743 VanDerWaalsContact SG-NE2 3.36Å; H739-H743 AromaticContact CD2-NE2 3.93Å; H739-H743 AromaticContact CE1-CE1 3.77Å; H739-H743 AromaticContact CE1-NE2 3.3Å; H739-H743 PolarHBondContact CE1-NE2 2.78Å; H739-H743 VanDerWaalsContact CE1-NE2 3.3Å; H739-H743 AromaticContact NE2-CD2 3.9Å; H739-H743 AromaticContact NE2-CE1 3.9Å; H739-H743 AromaticContact NE2-NE2 3.05Å; H739-H743 PolarHBondContact NE2-NE2 3.07Å; Q740-H743 PolarHBondContact O-N 2.83Å; R741-H743 VanDerWaalsContact C-N 3.33Å; H743-G745 VanDerWaalsContact C-N 3.29Å; H743-G745 PolarHBondContact O-N 3.33Å
744	T	77.4	Confident	81.2	Confident	79 Å²	79	70.2 Å²	70.2	49%	0.485	39%	0.386	S	S	.	.	H	α-helix	trans	-78.2	-13.1	178.5	62.7	0	0	0	0	113.6	Q740 E746	Q740-T744 PolarHBondContact O-N 3.01Å; Q740-T744 VanDerWaalsContact O-N 3.14Å; Q740-T744 PolarHBondContact O-OG1 2.94Å; T744-E746 PolarHBondContact O-N 3.28Å; T744-E746 VanDerWaalsContact O-N 3.16Å; T744-E746 WeakPolarHBondContact OG1-CG 3.48Å; T744-E746 PolarHBondContact OG1-N 3.49Å
745	G	75.2	Confident	81.3	Confident	50 Å²	50	76.5 Å²	76.5	52%	0.515	40%	0.4	S	S	.	.			trans	67.5	7.8	-175.2	0	0	0	0	0	114.1	R741 H743 K747	R741-G745 WeakPolarHBondContact O-CA 3.47Å; R741-G745 PolarHBondContact O-N 3.06Å; R741-G745 VanDerWaalsContact O-N 3.1Å; H743-G745 VanDerWaalsContact C-N 3.29Å; H743-G745 PolarHBondContact O-N 3.33Å; G745-K747 PolarHBondContact O-N 3.02Å
746	E	77.3	Confident	81.5	Confident	113 Å²	113	80.2 Å²	80.2	53%	0.528	41%	0.414	S	S	.	.			trans	-60.4	125.4	-179.4	-79.1	-177.2	173.5	0	0	111.3	R741 T744 P748	R741-E746 HydrophobicContact CG-CB 4.41Å; R741-E746 PolarHBondContact O-N 3.42Å; T744-E746 PolarHBondContact O-N 3.28Å; T744-E746 VanDerWaalsContact O-N 3.16Å; T744-E746 WeakPolarHBondContact OG1-CG 3.48Å; T744-E746 PolarHBondContact OG1-N 3.49Å; E746-P748 WeakPolarHBondContact O-CD 3.31Å
747	K	82.1	Confident	81.6	Confident	121 Å²	121	82.1 Å²	82.1	53%	0.526	43%	0.426	S	S	.	.			trans	-120.7	76.5	176.3	-68.1	173.9	177.5	-178.2	0	110.5	G745 Y749 T757 F758	G745-K747 PolarHBondContact O-N 3.02Å; K747-Y749 PolarHBondContact O-N 3.44Å; K747-Y749 VanDerWaalsContact O-N 3.16Å; K747-T757 WeakPolarHBondContact CD-OG1 3.45Å; K747-F758 CarbonylContact C-O 3.54Å; K747-F758 VanDerWaalsContact C-O 3.3Å; K747-F758 WeakPolarHBondContact CA-O 3.17Å
748	P	82.2	Confident	81.7	Confident	74 Å²	74	82.1 Å²	82.1	48%	0.481	42%	0.419	S	S	.	.			trans	-71.7	-10.5	-170.6	-15.5	30.5	0	0	0	114.3	E746	E746-P748 WeakPolarHBondContact O-CD 3.31Å
749	Y	81.5	Confident	81.7	Confident	70 Å²	70	79.5 Å²	79.5	28%	0.275	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	101.4	-173.4	-56.4	-69.9	0	0	0	110.1	R741 K747 T757 F758 Q760 K761	R741-Y749 VanDerWaalsContact NH1-CE2 3.33Å; R741-Y749 PolarHBondContact NH1-OH 2.81Å; K747-Y749 PolarHBondContact O-N 3.44Å; K747-Y749 VanDerWaalsContact O-N 3.16Å; Y749-T757 CarbonylContact O-C 3.59Å; Y749-T757 WeakPolarHBondContact O-CA 3.36Å; Y749-F758 PolarHBondContact N-O 3.07Å; Y749-F758 PolarHBondContact O-N 3.06Å; Y749-Q760 VanDerWaalsContact CD2-C 3.42Å; Y749-K761 HydrophobicContact CD1-CB 4.12Å; Y749-K761 HydrophobicContact CD1-CG 4.46Å; Y749-K761 HydrophobicContact CD2-CB 4.36Å; Y749-K761 VanDerWaalsContact CD2-N 3.34Å; Y749-K761 HydrophobicContact CE1-CB 3.93Å; Y749-K761 HydrophobicContact CE1-CG 4.43Å; Y749-K761 HydrophobicContact CE2-CB 4.14Å; Y749-K761 HydrophobicContact CG-CB 4.33Å
750	E	85	Confident	81.6	Confident	93 Å²	93	81.6 Å²	81.6	44%	0.435	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.9	176.8	-170.9	177	163.9	0	0	111.4	N752 R755 T757	E750-N752 PolarHBondContact O-N 3.16Å; E750-R755 HydrophobicContact CG-CB 4.45Å; E750-R755 WeakPolarHBondContact OE1-CB 3.35Å; E750-R755 WeakPolarHBondContact OE1-CD 3.19Å; E750-R755 VanDerWaalsContact OE1-CG 3.28Å; E750-R755 WeakPolarHBondContact OE1-CG 3.38Å; E750-T757 HydrophobicContact CB-CG2 4.12Å; E750-T757 HydrophobicContact CG-CG2 4.03Å
751	C	86.6	Confident	81.6	Confident	0 Å²	0	84 Å²	84	0%	0	43%	0.431	C	S	.	.			trans	-79.4	115.7	170.3	-177.1	0	0	0	0	110.2	T753 C754 R755 K756 F758 L764	C751-T753 PolarHBondContact O-N 3.46Å; C751-T753 VanDerWaalsContact O-N 3.08Å; C751-C754 PolarHBondContact O-N 2.94Å; C751-R755 WeakPolarHBondContact O-CA 3.38Å; C751-R755 PolarHBondContact O-N 3.43Å; C751-K756 WeakPolarHBondContact CB-O 3.42Å; C751-K756 PolarHBondContact N-O 3.25Å; C751-F758 HydrophobicContact CB-CE2 4.33Å; C751-L764 HydrophobicContact CB-CD1 3.64Å
752	N	82.4	Confident	81.6	Confident	145 Å²	145	84 Å²	84	78%	0.775	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.9	178.9	-61.6	-15.1	0	0	0	113.9	E750	E750-N752 PolarHBondContact O-N 3.16Å
753	T	80.9	Confident	81.9	Confident	104 Å²	104	83.6 Å²	83.6	64%	0.638	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-42.5	-177.1	-47.3	0	0	0	0	112.9	C751	C751-T753 PolarHBondContact O-N 3.46Å; C751-T753 VanDerWaalsContact O-N 3.08Å
754	C	85.6	Confident	82.1	Confident	48 Å²	48	80.9 Å²	80.9	32%	0.324	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	6.6	-173.2	71.4	0	0	0	0	113.9	C751 K756 H767	C751-C754 PolarHBondContact O-N 2.94Å; C754-K756 PolarHBondContact O-N 3.03Å; C754-H767 PolarHBondContact SG-NE2 3.4Å
755	R	82.6	Confident	82.3	Confident	195 Å²	195	80.4 Å²	80.4	74%	0.736	41%	0.414	S	S	*	.			trans	54.3	14.6	-178.4	-58.4	-162.6	-176.6	165	0.3	116.1	E750 C751 T757	E750-R755 HydrophobicContact CG-CB 4.45Å; E750-R755 WeakPolarHBondContact OE1-CB 3.35Å; E750-R755 WeakPolarHBondContact OE1-CD 3.19Å; E750-R755 VanDerWaalsContact OE1-CG 3.28Å; E750-R755 WeakPolarHBondContact OE1-CG 3.38Å; C751-R755 WeakPolarHBondContact O-CA 3.38Å; C751-R755 PolarHBondContact O-N 3.43Å; R755-T757 PolarHBondContact O-N 3.36Å
756	K	84.8	Confident	82.7	Confident	125 Å²	125	82 Å²	82	54%	0.543	41%	0.414	S	S	.	.			trans	-66.5	130.3	171.9	-73.1	-176.2	179.2	-179.1	0	109.8	C751 C754 F758	C751-K756 WeakPolarHBondContact CB-O 3.42Å; C751-K756 PolarHBondContact N-O 3.25Å; C754-K756 PolarHBondContact O-N 3.03Å; K756-F758 HydrophobicContact CB-CE2 3.72Å; K756-F758 HydrophobicContact CB-CZ 3.9Å; K756-F758 WeakPolarHBondContact O-CD2 3.47Å; K756-F758 VanDerWaalsContact O-CE2 3.28Å; K756-F758 WeakPolarHBondContact O-CE2 3.41Å
757	T	83.6	Confident	83	Confident	59 Å²	59	77.9 Å²	77.9	36%	0.362	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.8	-179.7	59.2	0	0	0	0	111	K747 Y749 E750 R755	K747-T757 WeakPolarHBondContact CD-OG1 3.45Å; Y749-T757 CarbonylContact O-C 3.59Å; Y749-T757 WeakPolarHBondContact O-CA 3.36Å; E750-T757 HydrophobicContact CB-CG2 4.12Å; E750-T757 HydrophobicContact CG-CG2 4.03Å; R755-T757 PolarHBondContact O-N 3.36Å
758	F	83.4	Confident	83	Confident	40 Å²	40	75.2 Å²	75.2	18%	0.175	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.3	-176.5	-60.4	-89.9	0	0	0	110.5	K747 Y749 C751 K756 Q760 N763 L764 H767	K747-F758 CarbonylContact C-O 3.54Å; K747-F758 VanDerWaalsContact C-O 3.3Å; K747-F758 WeakPolarHBondContact CA-O 3.17Å; Y749-F758 PolarHBondContact N-O 3.07Å; Y749-F758 PolarHBondContact O-N 3.06Å; C751-F758 HydrophobicContact CB-CE2 4.33Å; K756-F758 HydrophobicContact CB-CE2 3.72Å; K756-F758 HydrophobicContact CB-CZ 3.9Å; K756-F758 WeakPolarHBondContact O-CD2 3.47Å; K756-F758 VanDerWaalsContact O-CE2 3.28Å; K756-F758 WeakPolarHBondContact O-CE2 3.41Å; F758-Q760 VanDerWaalsContact C-N 3.33Å; F758-N763 HydrophobicContact CB-CB 4.35Å; F758-N763 HydrophobicContact CD1-CB 3.9Å; F758-N763 HydrophobicContact CG-CB 4.4Å; F758-L764 HydrophobicContact CB-CB 4.37Å; F758-L764 HydrophobicContact CD2-CB 4.02Å; F758-L764 HydrophobicContact CD2-CD1 3.87Å; F758-L764 HydrophobicContact CE2-CD1 4.04Å; F758-L764 HydrophobicContact CG-CB 4.33Å; F758-H767 HydrophobicContact CE1-CB 3.98Å; F758-H767 HydrophobicContact CE2-CB 3.97Å; F758-H767 AromaticContact CE2-CD2 3.43Å; F758-H767 VanDerWaalsContact CE2-CD2 3.43Å; F758-H767 WeakPolarHBondContact CE2-CD2 3.43Å; F758-H767 AromaticContact CE2-CG 3.76Å; F758-H767 HydrophobicContact CZ-CB 3.46Å; F758-H767 VanDerWaalsContact CZ-CB 3.46Å; F758-H767 AromaticContact CZ-CD2 3.39Å; F758-H767 WeakPolarHBondContact CZ-CD2 3.46Å; F758-H767 AromaticContact CZ-CG 3.27Å; F758-H767 AromaticContact CZ-ND1 3.94Å
759	S	80.7	Confident	82.9	Confident	38 Å²	38	77.8 Å²	77.8	27%	0.266	38%	0.384	S	S	.	.	S	Bend	trans	-76.1	-21.6	176.5	55.3	0	0	0	0	113.1	R741	R741-S759 PolarHBondContact NH1-O 3.32Å
760	Q	80.8	Confident	82.8	Confident	67 Å²	67	79 Å²	79	31%	0.313	40%	0.399	S	S	.	.	S	Bend	trans	-130	139.7	-178.8	-58	-174.7	9.4	0	0	112.2	Y749 F758 S762 N763 L764	Y749-Q760 VanDerWaalsContact CD2-C 3.42Å; F758-Q760 VanDerWaalsContact C-N 3.33Å; Q760-S762 VanDerWaalsContact C-N 3.3Å; Q760-S762 PolarHBondContact O-N 3.41Å; Q760-S762 PolarHBondContact OE1-OG 3.06Å; Q760-N763 PolarHBondContact O-N 3.13Å; Q760-L764 PolarHBondContact O-N 3.38Å
761	K	82.3	Confident	82.5	Confident	130 Å²	130	78.2 Å²	78.2	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-63.4	-33	178.1	-172.5	175.4	-178.9	175.3	0	112.8	Y749 N763 L764 I765	Y749-K761 HydrophobicContact CD1-CB 4.12Å; Y749-K761 HydrophobicContact CD1-CG 4.46Å; Y749-K761 HydrophobicContact CD2-CB 4.36Å; Y749-K761 VanDerWaalsContact CD2-N 3.34Å; Y749-K761 HydrophobicContact CE1-CB 3.93Å; Y749-K761 HydrophobicContact CE1-CG 4.43Å; Y749-K761 HydrophobicContact CE2-CB 4.14Å; Y749-K761 HydrophobicContact CG-CB 4.33Å; K761-N763 VanDerWaalsContact C-N 3.33Å; K761-N763 PolarHBondContact O-N 3.42Å; K761-L764 PolarHBondContact O-N 2.76Å; K761-I765 HydrophobicContact CG-CD1 4.13Å; K761-I765 HydrophobicContact CG-CG1 4.5Å; K761-I765 VanDerWaalsContact O-CG1 3.31Å; K761-I765 WeakPolarHBondContact O-CG1 3.49Å; K761-I765 PolarHBondContact O-N 3.4Å
762	S	82.3	Confident	81.9	Confident	61 Å²	61	83.9 Å²	83.9	43%	0.427	42%	0.424	S	S	.	.	H	α-helix	trans	-59.1	-44.2	174.3	43.1	0	0	0	0	111.7	Q760 L764 I765 V766	Q760-S762 VanDerWaalsContact C-N 3.3Å; Q760-S762 PolarHBondContact O-N 3.41Å; Q760-S762 PolarHBondContact OE1-OG 3.06Å; S762-L764 VanDerWaalsContact C-N 3.34Å; S762-L764 PolarHBondContact O-N 3.35Å; S762-I765 PolarHBondContact O-N 2.99Å; S762-V766 WeakPolarHBondContact O-CG2 3.45Å; S762-V766 PolarHBondContact O-N 2.89Å
763	N	83.4	Confident	80.7	Confident	71 Å²	71	80.2 Å²	80.2	38%	0.38	42%	0.421	S	S	.	.	H	α-helix	trans	-67.3	-37.6	179.4	-60.8	-6	0	0	0	111	F758 Q760 K761 H767	F758-N763 HydrophobicContact CB-CB 4.35Å; F758-N763 HydrophobicContact CD1-CB 3.9Å; F758-N763 HydrophobicContact CG-CB 4.4Å; Q760-N763 PolarHBondContact O-N 3.13Å; K761-N763 VanDerWaalsContact C-N 3.33Å; K761-N763 PolarHBondContact O-N 3.42Å; N763-H767 VanDerWaalsContact O-CB 3.23Å; N763-H767 WeakPolarHBondContact O-CB 3.18Å; N763-H767 PolarHBondContact O-N 3.3Å
764	L	84.7	Confident	79.3	Confident	16 Å²	16	81.8 Å²	81.8	8%	0.084	42%	0.421	C	S	.	.	H	α-helix	trans	-61.8	-44.7	171.1	174	62.7	0	0	0	111.7	C751 F758 Q760 K761 S762 H767 Q768	C751-L764 HydrophobicContact CB-CD1 3.64Å; F758-L764 HydrophobicContact CB-CB 4.37Å; F758-L764 HydrophobicContact CD2-CB 4.02Å; F758-L764 HydrophobicContact CD2-CD1 3.87Å; F758-L764 HydrophobicContact CE2-CD1 4.04Å; F758-L764 HydrophobicContact CG-CB 4.33Å; Q760-L764 PolarHBondContact O-N 3.38Å; K761-L764 PolarHBondContact O-N 2.76Å; S762-L764 VanDerWaalsContact C-N 3.34Å; S762-L764 PolarHBondContact O-N 3.35Å; L764-H767 CarbonylContact O-C 3.54Å; L764-H767 PolarHBondContact O-N 3.01Å; L764-Q768 HydrophobicContact CD1-CG 4Å; L764-Q768 HydrophobicContact CG-CG 4.33Å; L764-Q768 WeakPolarHBondContact O-CB 3.36Å; L764-Q768 VanDerWaalsContact O-CG 3.28Å; L764-Q768 WeakPolarHBondContact O-CG 3.45Å; L764-Q768 PolarHBondContact O-N 3.23Å
765	I	82	Confident	77.2	Confident	68 Å²	68	88.4 Å²	88.4	35%	0.349	44%	0.444	S	S	.	.	H	α-helix	trans	-63.7	-44.6	179.1	-68.4	165.1	0	0	0	111	K761 S762 H767 Q768 R769	K761-I765 HydrophobicContact CG-CD1 4.13Å; K761-I765 HydrophobicContact CG-CG1 4.5Å; K761-I765 VanDerWaalsContact O-CG1 3.31Å; K761-I765 WeakPolarHBondContact O-CG1 3.49Å; K761-I765 PolarHBondContact O-N 3.4Å; S762-I765 PolarHBondContact O-N 2.99Å; I765-H767 VanDerWaalsContact C-N 3.31Å; I765-H767 PolarHBondContact O-N 3.44Å; I765-Q768 PolarHBondContact O-N 3.23Å; I765-R769 WeakPolarHBondContact O-CG 3.27Å; I765-R769 PolarHBondContact O-N 3.12Å; I765-R769 VanDerWaalsContact O-N 3.1Å
766	V	83.1	Confident	75.4	Confident	85 Å²	85	84.5 Å²	84.5	52%	0.515	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.6	173.2	0	0	0	0	110.4	S762 R769	S762-V766 WeakPolarHBondContact O-CG2 3.45Å; S762-V766 PolarHBondContact O-N 2.89Å; V766-R769 WeakPolarHBondContact O-CB 3.49Å; V766-R769 PolarHBondContact O-N 2.97Å
767	H	83	Confident	73.5	Confident	26 Å²	26	89.9 Å²	89.9	12%	0.12	46%	0.462	C	S	.	.	H	α-helix	trans	-64.6	-39.9	175	176.8	59.7	0	0	0	112.5	C754 F758 N763 L764 I765 R769 T770 H771	C754-H767 PolarHBondContact SG-NE2 3.4Å; F758-H767 HydrophobicContact CE1-CB 3.98Å; F758-H767 HydrophobicContact CE2-CB 3.97Å; F758-H767 AromaticContact CE2-CD2 3.43Å; F758-H767 VanDerWaalsContact CE2-CD2 3.43Å; F758-H767 WeakPolarHBondContact CE2-CD2 3.43Å; F758-H767 AromaticContact CE2-CG 3.76Å; F758-H767 HydrophobicContact CZ-CB 3.46Å; F758-H767 VanDerWaalsContact CZ-CB 3.46Å; F758-H767 AromaticContact CZ-CD2 3.39Å; F758-H767 WeakPolarHBondContact CZ-CD2 3.46Å; F758-H767 AromaticContact CZ-CG 3.27Å; F758-H767 AromaticContact CZ-ND1 3.94Å; N763-H767 VanDerWaalsContact O-CB 3.23Å; N763-H767 WeakPolarHBondContact O-CB 3.18Å; N763-H767 PolarHBondContact O-N 3.3Å; L764-H767 CarbonylContact O-C 3.54Å; L764-H767 PolarHBondContact O-N 3.01Å; I765-H767 VanDerWaalsContact C-N 3.31Å; I765-H767 PolarHBondContact O-N 3.44Å; H767-R769 PolarHBondContact O-N 3.28Å; H767-T770 PolarHBondContact ND1-OG1 2.92Å; H767-T770 WeakPolarHBondContact O-CB 3.42Å; H767-T770 PolarHBondContact O-N 3.34Å; H767-T770 PolarHBondContact O-OG1 3.03Å; H767-H771 AromaticContact CD2-NE2 3.76Å; H767-H771 AromaticContact CE1-CE1 3.95Å; H767-H771 AromaticContact CE1-NE2 3.49Å; H767-H771 PolarHBondContact CE1-NE2 2.81Å; H767-H771 AromaticContact NE2-CD2 3.94Å; H767-H771 AromaticContact NE2-CE1 3.79Å; H767-H771 AromaticContact NE2-NE2 3.01Å; H767-H771 PolarHBondContact NE2-NE2 2.89Å
768	Q	81.8	Confident	71.3	Confident	65 Å²	65	99.7 Å²	99.7	30%	0.304	50%	0.504	S	S	.	.	H	α-helix	trans	-61.5	-34.1	176.5	-78.1	171.9	-27.9	0	0	112.3	L764 I765 T770 H771 I772	L764-Q768 HydrophobicContact CD1-CG 4Å; L764-Q768 HydrophobicContact CG-CG 4.33Å; L764-Q768 WeakPolarHBondContact O-CB 3.36Å; L764-Q768 VanDerWaalsContact O-CG 3.28Å; L764-Q768 WeakPolarHBondContact O-CG 3.45Å; L764-Q768 PolarHBondContact O-N 3.23Å; I765-Q768 PolarHBondContact O-N 3.23Å; Q768-T770 PolarHBondContact O-N 3.17Å; Q768-H771 WeakPolarHBondContact O-CB 3.46Å; Q768-H771 PolarHBondContact O-N 3.07Å; Q768-H771 VanDerWaalsContact O-N 3.12Å; Q768-I772 WeakPolarHBondContact O-CG1 3.46Å
769	R	80.8	Confident	70.7	Confident	127 Å²	127	102.7 Å²	102.7	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-29.2	172.9	-67	171.2	-178.3	-179.7	-4.1	112.9	I765 V766 H767 H771 I772 G773	I765-R769 WeakPolarHBondContact O-CG 3.27Å; I765-R769 PolarHBondContact O-N 3.12Å; I765-R769 VanDerWaalsContact O-N 3.1Å; V766-R769 WeakPolarHBondContact O-CB 3.49Å; V766-R769 PolarHBondContact O-N 2.97Å; H767-R769 PolarHBondContact O-N 3.28Å; R769-H771 VanDerWaalsContact C-N 3.26Å; R769-H771 PolarHBondContact O-N 3.19Å; R769-I772 PolarHBondContact O-N 3.28Å; R769-G773 PolarHBondContact O-N 3.49Å; R769-G773 VanDerWaalsContact O-N 3.11Å
770	T	79.4	Confident	70.1	Confident	95 Å²	95	106.1 Å²	106.1	58%	0.583	53%	0.534	S	S	*	.	H	α-helix	trans	-68	-24.2	175.4	69.4	0	0	0	0	113.4	H767 Q768 I772	H767-T770 PolarHBondContact ND1-OG1 2.92Å; H767-T770 WeakPolarHBondContact O-CB 3.42Å; H767-T770 PolarHBondContact O-N 3.34Å; H767-T770 PolarHBondContact O-OG1 3.03Å; Q768-T770 PolarHBondContact O-N 3.17Å; T770-I772 VanDerWaalsContact C-N 3.33Å
771	H	78.3	Confident	69.5	Low	78 Å²	78	108.3 Å²	108.3	36%	0.361	55%	0.546	S	S	.	.	H	α-helix	trans	-78.4	-20	171.7	-63.5	-59.5	0	0	0	112.8	H767 Q768 R769	H767-H771 AromaticContact CD2-NE2 3.76Å; H767-H771 AromaticContact CE1-CE1 3.95Å; H767-H771 AromaticContact CE1-NE2 3.49Å; H767-H771 PolarHBondContact CE1-NE2 2.81Å; H767-H771 AromaticContact NE2-CD2 3.94Å; H767-H771 AromaticContact NE2-CE1 3.79Å; H767-H771 AromaticContact NE2-NE2 3.01Å; H767-H771 PolarHBondContact NE2-NE2 2.89Å; Q768-H771 WeakPolarHBondContact O-CB 3.46Å; Q768-H771 PolarHBondContact O-N 3.07Å; Q768-H771 VanDerWaalsContact O-N 3.12Å; R769-H771 VanDerWaalsContact C-N 3.26Å; R769-H771 PolarHBondContact O-N 3.19Å
772	I	73.6	Confident	68.8	Low	119 Å²	119	107 Å²	107	61%	0.61	55%	0.545	S	S	*	.	H	α-helix	trans	-100.8	-7.8	-174.4	-53.5	165.9	0	0	0	110.9	Q768 R769 T770 E774	Q768-I772 WeakPolarHBondContact O-CG1 3.46Å; R769-I772 PolarHBondContact O-N 3.28Å; T770-I772 VanDerWaalsContact C-N 3.33Å; I772-E774 VanDerWaalsContact C-N 3.26Å; I772-E774 HydrophobicContact CG2-CG 4.38Å; I772-E774 PolarHBondContact O-N 3.43Å
773	G	57.5	Low	68	Low	68 Å²	68	109.9 Å²	109.9	70%	0.701	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.3	8.6	176.2	0	0	0	0	0	115.2	R769 K775	R769-G773 PolarHBondContact O-N 3.49Å; R769-G773 VanDerWaalsContact O-N 3.11Å; G773-K775 PolarHBondContact O-N 3.29Å
774	E	51.7	Low	66.9	Low	136 Å²	136	112.5 Å²	112.5	64%	0.636	56%	0.564	S	S	*	*			trans	-82.9	111.4	177.3	-71	-174.1	164.4	0	0	110.8	I772	I772-E774 VanDerWaalsContact C-N 3.26Å; I772-E774 HydrophobicContact CG2-CG 4.38Å; I772-E774 PolarHBondContact O-N 3.43Å
775	K	42.3	Very low	65.7	Low	188 Å²	188	119.4 Å²	119.4	82%	0.817	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-64.2	145.6	168	-75.5	-176.8	177.8	179	0	110.1	G773 Y777	G773-K775 PolarHBondContact O-N 3.29Å; K775-Y777 PolarHBondContact O-N 3.39Å
776	P	44.3	Very low	64.4	Low	112 Å²	112	123.3 Å²	123.3	73%	0.727	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-64.8	132.9	175.3	-11.2	26	0	0	0	110.3	E778	P776-E778 PolarHBondContact O-N 2.97Å
777	Y	43.7	Very low	62.8	Low	238 Å²	238	126.5 Å²	126.5	93%	0.933	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-61.6	125.6	162	-75.7	-92.2	0	0	0	108.7	K775	K775-Y777 PolarHBondContact O-N 3.39Å
778	E	37.7	Very low	61	Low	266 Å²	266	135.6 Å²	135.6	100%	1.243	67%	0.672	S	S	*	*			trans	-66.1	0	168.9	-73.2	-174.3	155.7	0	0	112.2	P776	P776-E778 PolarHBondContact O-N 2.97Å

Retrieved 778 of 778 residues in 193.9 ms (Link to these results)

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