A0A096NLI6_PAPAN Loading...

Zinc finger protein 184

May be involved in transcriptional regulation.

AlphaFold DB (A0A2I3LH46), UniProt , Accession A0A096NLI6, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF184, Length 751 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	33	Very low	218 Å²	218	144.4 Å²	144.4	100%	1.074	82%	0.819	S	S	*	*				0	57.7	0	-58.1	169.3	-167.6	0	0	107.2
2	E	33.8	Very low	32.4	Very low	167 Å²	167	144.8 Å²	144.8	78%	0.78	82%	0.816	S	S	*	*				77.4	103	68.1	-66.9	144.2	135.2	0	0	108.6
3	D	35.8	Very low	32	Very low	151 Å²	151	148.1 Å²	148.1	81%	0.807	82%	0.821	S	S	*	*			cis	78.7	103.4	37	-161.1	15.7	0	0	0	113.4
4	L	33.8	Very low	31.4	Very low	164 Å²	164	143.3 Å²	143.3	86%	0.859	82%	0.822	S	S	*	*			trans	-154.4	100.6	174.3	-77.5	-176.3	0	0	0	112.2
5	S	32	Very low	31.1	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	82%	0.818	S	S	*	*			trans	47	110.1	133.7	-53	0	0	0	0	122.8
6	S	31.1	Very low	31.2	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	82%	0.822	S	S	*	*				29.9	160.3	99.4	-59.9	0	0	0	0	121.9
7	P	49.9	Very low	31	Very low	115 Å²	115	142.8 Å²	142.8	75%	0.747	82%	0.823	S	S	*	*			cis	-148.2	-179.6	-33	42.4	-24.2	0	0	0	116.4
8	D	28.8	Very low	31	Very low	153 Å²	153	143.9 Å²	143.9	82%	0.818	83%	0.825	S	S	*	*			trans	72.6	157.3	143.2	-121.6	-31.4	0	0	0	125.5
9	S	29.8	Very low	30.8	Very low	97 Å²	97	145.6 Å²	145.6	68%	0.678	83%	0.83	S	S	*	*			trans	-53.9	156.8	-166.5	-57.9	0	0	0	0	121.9
10	T	25.9	Very low	30.6	Very low	150 Å²	150	143.5 Å²	143.5	92%	0.92	82%	0.824	S	S	*	*			trans	-158.8	162.2	131.6	-1.8	0	0	0	0	113.7
11	L	28.1	Very low	30.4	Very low	159 Å²	159	142 Å²	142	83%	0.832	82%	0.823	S	S	*	*			trans	-95.6	155.6	-179.2	-73.1	144.1	0	0	0	112.3
12	L	26.3	Very low	30.1	Very low	149 Å²	149	136.7 Å²	136.7	78%	0.78	80%	0.802	S	S	*	*				170.9	121	114.1	-89.8	166.8	0	0	0	115.1
13	Q	27.5	Very low	30	Very low	188 Å²	188	133.8 Å²	133.8	88%	0.879	80%	0.8	S	S	*	*				47.7	121.1	126.5	-167.3	168.3	-3.3	0	0	122.3
14	G	23.8	Very low	29.7	Very low	81 Å²	81	135.8 Å²	135.8	84%	0.835	80%	0.803	S	S	*	*			trans	154	143.8	152.4	0	0	0	0	0	115.9
15	G	25.8	Very low	29.9	Very low	74 Å²	74	136 Å²	136	76%	0.763	80%	0.799	S	S	*	*			trans	115.3	64.4	159.9	0	0	0	0	0	119
16	H	33.2	Very low	30.3	Very low	191 Å²	191	140.1 Å²	140.1	88%	0.884	81%	0.807	S	S	*	*			trans	-74	129.3	151.2	-83.8	-102	0	0	0	108.9
17	N	28.1	Very low	31.2	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	80%	0.797	S	S	*	*			trans	-130.6	124.3	166.3	-91.8	-41.8	0	0	0	109.6
18	L	31	Very low	31.4	Very low	163 Å²	163	137 Å²	137	85%	0.853	79%	0.785	S	S	*	*			trans	-78.3	141.4	166.2	-71.3	84	0	0	0	108.8
19	L	27.3	Very low	32.8	Very low	177 Å²	177	132.8 Å²	132.8	93%	0.927	77%	0.765	S	S	*	*			trans	-125.7	136.5	154.4	-82.1	173.6	0	0	0	108.9
20	S	25.7	Very low	34.2	Very low	102 Å²	102	129 Å²	129	71%	0.713	74%	0.736	S	S	*	*			trans	-80.1	130.5	-166.8	-173.4	0	0	0	0	112.2	T22	S20-T22 PolarHBondContact O-N 3.4Å
21	S	26.5	Very low	35.9	Very low	114 Å²	114	130.1 Å²	130.1	80%	0.797	73%	0.728	S	S	*	*			trans	-82.8	91.6	162	58.1	0	0	0	0	109.2	S23	S21-S23 PolarHBondContact O-N 2.97Å
22	T	28	Very low	37.5	Very low	105 Å²	105	127.8 Å²	127.8	64%	0.644	72%	0.716	S	S	*	*			trans	-68.4	99.4	177.9	50	0	0	0	0	111.1	S20 F24	S20-T22 PolarHBondContact O-N 3.4Å; T22-F24 PolarHBondContact O-N 3.37Å; T22-F24 VanDerWaalsContact O-N 3.12Å
23	S	31	Very low	39.1	Very low	106 Å²	106	123.1 Å²	123.1	74%	0.741	69%	0.694	S	S	*	*			trans	-73.2	95.8	169.7	54.6	0	0	0	0	110.2	S21 Q25	S21-S23 PolarHBondContact O-N 2.97Å; S23-Q25 VanDerWaalsContact C-N 3.34Å; S23-Q25 PolarHBondContact O-N 3.24Å
24	F	31.3	Very low	40.7	Very low	194 Å²	194	115.3 Å²	115.3	85%	0.851	66%	0.658	S	S	*	*			trans	-69.2	96.1	161.6	-88.7	-90.4	0	0	0	108.6	T22	T22-F24 PolarHBondContact O-N 3.37Å; T22-F24 VanDerWaalsContact O-N 3.12Å
25	Q	37.2	Very low	42.7	Very low	168 Å²	168	115.8 Å²	115.8	79%	0.785	65%	0.645	S	S	*	*			trans	-103.8	96.8	171.1	-176.9	175.8	-5	0	0	107.6	S23 S27	S23-Q25 VanDerWaalsContact C-N 3.34Å; S23-Q25 PolarHBondContact O-N 3.24Å; Q25-S27 PolarHBondContact O-N 3.04Å
26	E	40.1	Very low	44.5	Very low	185 Å²	185	117.6 Å²	117.6	86%	0.864	64%	0.637	S	S	*	*			trans	-62.5	120.4	172.1	-70.1	-175.1	135.5	0	0	109.2	V28	E26-V28 PolarHBondContact O-N 3.11Å
27	S	51	Low	46.1	Very low	84 Å²	84	112 Å²	112	59%	0.587	61%	0.61	S	S	*	*			trans	-83.2	106	-176.6	56.2	0	0	0	0	110.2	Q25 T29	Q25-S27 PolarHBondContact O-N 3.04Å; S27-T29 WeakPolarHBondContact O-CG2 3.49Å; S27-T29 PolarHBondContact O-N 2.88Å
28	V	52.3	Low	48	Very low	82 Å²	82	108.1 Å²	108.1	50%	0.497	59%	0.592	S	S	.	*			trans	-53.7	122.3	170.6	-179	0	0	0	0	109.3	E26 D32 V33	E26-V28 PolarHBondContact O-N 3.11Å; V28-D32 HydrophobicContact CG1-CB 4.11Å; V28-V33 HydrophobicContact CG1-CG2 3.68Å
29	T	58.7	Low	49.1	Very low	64 Å²	64	103.7 Å²	103.7	39%	0.393	57%	0.567	S	S	.	*			trans	-94.3	166.9	179.7	81	0	0	0	0	110.7	S27 K31 D32	S27-T29 WeakPolarHBondContact O-CG2 3.49Å; S27-T29 PolarHBondContact O-N 2.88Å; T29-K31 PolarHBondContact O-N 3.13Å; T29-K31 PolarHBondContact OG1-N 3.28Å; T29-D32 WeakPolarHBondContact CA-OD2 3.41Å; T29-D32 VanDerWaalsContact CB-OD2 3.26Å; T29-D32 WeakPolarHBondContact CB-OD2 3.29Å; T29-D32 PolarHBondContact N-OD2 2.89Å; T29-D32 PolarHBondContact O-N 3.26Å; T29-D32 VanDerWaalsContact O-N 3.15Å; T29-D32 PolarHBondContact OG1-OD2 3.42Å
30	F	60.5	Low	50.6	Low	17 Å²	17	100.3 Å²	100.3	8%	0.075	55%	0.546	C	S	.	.	G	3₁₀ helix	trans	-62.4	-27.8	176.1	-174.9	-100.3	0	0	0	113.1	D32 V33 I34 T57 Y61 L64 V71 P74 I77	F30-D32 PolarHBondContact O-N 3.06Å; F30-V33 PolarHBondContact O-N 3.25Å; F30-I34 HydrophobicContact CE1-CB 4.06Å; F30-I34 HydrophobicContact CE1-CD1 3.7Å; F30-I34 HydrophobicContact CE1-CG1 4.42Å; F30-I34 HydrophobicContact CE1-CG2 4.36Å; F30-I34 HydrophobicContact CZ-CB 4.23Å; F30-I34 HydrophobicContact CZ-CD1 3.98Å; F30-I34 PolarHBondContact O-N 3.35Å; F30-T57 HydrophobicContact CZ-CG2 3.91Å; F30-Y61 AromaticContact CD2-CD2 3.98Å; F30-Y61 HydrophobicContact CD2-CD2 3.98Å; F30-Y61 HydrophobicContact CE2-CD2 4.09Å; F30-Y61 HydrophobicContact CE2-CG 4.39Å; F30-L64 HydrophobicContact CD2-CD1 3.78Å; F30-V71 HydrophobicContact CB-CG1 4.25Å; F30-P74 HydrophobicContact CB-CG 4.34Å; F30-P74 HydrophobicContact CD1-CB 4.18Å; F30-P74 HydrophobicContact CD1-CG 3.59Å; F30-P74 HydrophobicContact CE1-CB 4.42Å; F30-P74 HydrophobicContact CE1-CG 4.11Å; F30-P74 HydrophobicContact CG-CG 3.97Å; F30-I77 HydrophobicContact CE1-CD1 4.33Å; F30-I77 HydrophobicContact CE1-CG1 4.14Å; F30-I77 HydrophobicContact CE2-CD1 4.22Å; F30-I77 HydrophobicContact CE2-CG1 4.44Å; F30-I77 HydrophobicContact CZ-CD1 3.64Å; F30-I77 HydrophobicContact CZ-CG1 3.87Å
31	K	60.6	Low	52.5	Low	173 Å²	173	100.1 Å²	100.1	75%	0.752	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-68.8	-21.1	177	-71	-164.8	171.6	-163.9	0	113.5	T29 V33	T29-K31 PolarHBondContact O-N 3.13Å; T29-K31 PolarHBondContact OG1-N 3.28Å; K31-V33 VanDerWaalsContact C-N 3.27Å; K31-V33 PolarHBondContact O-N 3.16Å
32	D	62.8	Low	54.7	Low	110 Å²	110	95 Å²	95	59%	0.588	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-86	-0.6	-179.2	-48.7	-58.4	0	0	0	112.6	V28 T29 F30	V28-D32 HydrophobicContact CG1-CB 4.11Å; T29-D32 WeakPolarHBondContact CA-OD2 3.41Å; T29-D32 VanDerWaalsContact CB-OD2 3.26Å; T29-D32 WeakPolarHBondContact CB-OD2 3.29Å; T29-D32 PolarHBondContact N-OD2 2.89Å; T29-D32 PolarHBondContact O-N 3.26Å; T29-D32 VanDerWaalsContact O-N 3.15Å; T29-D32 PolarHBondContact OG1-OD2 3.42Å; F30-D32 PolarHBondContact O-N 3.06Å
33	V	58.8	Low	56.5	Low	52 Å²	52	95.4 Å²	95.4	32%	0.315	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-14.8	-170.5	-170.8	0	0	0	0	113.1	V28 F30 K31 N60 L64	V28-V33 HydrophobicContact CG1-CG2 3.68Å; F30-V33 PolarHBondContact O-N 3.25Å; K31-V33 VanDerWaalsContact C-N 3.27Å; K31-V33 PolarHBondContact O-N 3.16Å; V33-N60 HydrophobicContact CG1-CB 4.15Å; V33-L64 HydrophobicContact CB-CD1 4.3Å; V33-L64 HydrophobicContact CG1-CD1 4.46Å; V33-L64 HydrophobicContact CG2-CD1 4.27Å
34	I	61.5	Low	58.2	Low	23 Å²	23	98.1 Å²	98.1	12%	0.118	49%	0.491	C	S	.	.			trans	-86.8	156.1	171.2	-167.4	164.5	0	0	0	111.2	F30 F53 T57 V76	F30-I34 HydrophobicContact CE1-CB 4.06Å; F30-I34 HydrophobicContact CE1-CD1 3.7Å; F30-I34 HydrophobicContact CE1-CG1 4.42Å; F30-I34 HydrophobicContact CE1-CG2 4.36Å; F30-I34 HydrophobicContact CZ-CB 4.23Å; F30-I34 HydrophobicContact CZ-CD1 3.98Å; F30-I34 PolarHBondContact O-N 3.35Å; I34-F53 HydrophobicContact CD1-CZ 4.41Å; I34-F53 HydrophobicContact CG1-CZ 4.27Å; I34-T57 HydrophobicContact CD1-CG2 3.66Å; I34-T57 HydrophobicContact CG1-CG2 4.09Å; I34-V76 HydrophobicContact CD1-CG1 4.09Å
35	V	65.6	Low	60	Low	92 Å²	92	90.3 Å²	90.3	56%	0.558	46%	0.458	S	S	*	.			trans	-109.5	112.5	167.6	177.8	0	0	0	0	107.4	F37 F53	V35-F37 HydrophobicContact CG1-CE2 4.25Å; V35-F37 HydrophobicContact CG1-CZ 4.22Å; V35-F53 HydrophobicContact CB-CE2 4.35Å; V35-F53 WeakPolarHBondContact O-CE2 3.42Å; V35-F53 VanDerWaalsContact O-CZ 3.3Å; V35-F53 WeakPolarHBondContact O-CZ 3.37Å
36	D	63.6	Low	61.6	Low	111 Å²	111	86 Å²	86	59%	0.594	44%	0.44	S	S	*	.			trans	-80.7	146.5	175	-66.4	-38.1	0	0	0	110.4
37	F	67.3	Low	62.8	Low	74 Å²	74	82 Å²	82	33%	0.325	43%	0.43	S	S	.	.			trans	-123.7	142.7	178	-74	-77.8	0	0	0	110.8	V35 E41 W42 L45 F53	V35-F37 HydrophobicContact CG1-CE2 4.25Å; V35-F37 HydrophobicContact CG1-CZ 4.22Å; F37-E41 HydrophobicContact CD1-CB 4.04Å; F37-W42 HydrophobicContact CB-CB 4.45Å; F37-W42 HydrophobicContact CB-CE3 4.18Å; F37-W42 AromaticContact CD2-CE3 3.91Å; F37-W42 HydrophobicContact CD2-CE3 3.91Å; F37-W42 HydrophobicContact CD2-CZ3 4.07Å; F37-W42 HydrophobicContact CG-CE3 4.23Å; F37-L45 HydrophobicContact CD1-CD1 4.31Å; F37-L45 HydrophobicContact CD2-CD1 4.27Å; F37-L45 HydrophobicContact CE1-CD1 4.04Å; F37-L45 HydrophobicContact CE1-CD2 4.3Å; F37-L45 HydrophobicContact CE2-CD1 3.99Å; F37-L45 HydrophobicContact CG-CD1 4.41Å; F37-L45 HydrophobicContact CZ-CD1 3.87Å; F37-L45 HydrophobicContact CZ-CD2 4.46Å; F37-F53 HydrophobicContact CD2-CD2 4.36Å; F37-F53 HydrophobicContact CD2-CE2 4.12Å; F37-F53 HydrophobicContact CD2-CZ 4.33Å; F37-F53 AromaticContact CE2-CD2 3.66Å; F37-F53 HydrophobicContact CE2-CD2 3.66Å; F37-F53 AromaticContact CE2-CE2 3.76Å; F37-F53 HydrophobicContact CE2-CE2 3.76Å; F37-F53 HydrophobicContact CE2-CG 4.21Å; F37-F53 HydrophobicContact CE2-CZ 4.4Å
38	T	67.1	Low	63.6	Low	74 Å²	74	80 Å²	80	45%	0.454	42%	0.424	S	S	.	.			trans	-72.2	163.2	166.5	63.3	0	0	0	0	111.3	E40 E41 W42	T38-E40 PolarHBondContact O-N 2.89Å; T38-E41 WeakPolarHBondContact CB-OE2 3.35Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.47Å; T38-E41 PolarHBondContact N-OE2 3.11Å; T38-E41 PolarHBondContact O-N 3.48Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.27Å; T38-E41 WeakPolarHBondContact OG1-CG 3.44Å; T38-E41 PolarHBondContact OG1-N 3.26Å; T38-E41 PolarHBondContact OG1-OE2 2.83Å; T38-W42 WeakPolarHBondContact O-CB 3.29Å; T38-W42 PolarHBondContact O-N 2.68Å
39	Q	53.5	Low	64.4	Low	71 Å²	71	80.5 Å²	80.5	33%	0.332	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-28.6	-179.9	-147	-164.7	42.4	0	0	112	K43 W87	Q39-K43 WeakPolarHBondContact O-CD 3.38Å; Q39-K43 WeakPolarHBondContact O-CE 3.45Å; Q39-K43 WeakPolarHBondContact O-CG 3.48Å; Q39-K43 PolarHBondContact O-N 3.18Å; Q39-W87 HydrophobicContact CG-CB 4.28Å; Q39-W87 HydrophobicContact CG-CD2 4.17Å; Q39-W87 HydrophobicContact CG-CE3 4.35Å; Q39-W87 HydrophobicContact CG-CG 4.13Å
40	E	59.6	Low	65.3	Low	105 Å²	105	80.1 Å²	80.1	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-78.4	-36.2	-178.2	-74.8	47.6	-108.8	0	0	111.9	T38 K43 Q44	T38-E40 PolarHBondContact O-N 2.89Å; E40-K43 IonicContact OE1-NZ 3.21Å; E40-K43 PolarHBondContact OE1-NZ 3.17Å; E40-Q44 PolarHBondContact O-NE2 3.1Å
41	E	65.6	Low	65.8	Low	98 Å²	98	83.8 Å²	83.8	46%	0.458	43%	0.433	S	S	.	.	H	α-helix	trans	-72.7	-45.3	172.7	-68.5	163.7	132.8	0	0	110.9	F37 T38 K43 Q44 L45	F37-E41 HydrophobicContact CD1-CB 4.04Å; T38-E41 WeakPolarHBondContact CB-OE2 3.35Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.47Å; T38-E41 PolarHBondContact N-OE2 3.11Å; T38-E41 PolarHBondContact O-N 3.48Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.27Å; T38-E41 WeakPolarHBondContact OG1-CG 3.44Å; T38-E41 PolarHBondContact OG1-N 3.26Å; T38-E41 PolarHBondContact OG1-OE2 2.83Å; E41-K43 VanDerWaalsContact C-N 3.27Å; E41-K43 PolarHBondContact O-N 2.92Å; E41-Q44 WeakPolarHBondContact O-CA 3.36Å; E41-Q44 WeakPolarHBondContact O-CB 3.45Å; E41-Q44 PolarHBondContact O-N 3.21Å; E41-L45 PolarHBondContact O-N 3.29Å
42	W	72.8	Confident	66.5	Low	8 Å²	8	80.8 Å²	80.8	3%	0.03	42%	0.424	C	S	.	.	H	α-helix	trans	-58	-39.2	178.4	-172.5	-95.2	0	0	0	112.2	F37 T38 Q44 L45 R50 F53 E85	F37-W42 HydrophobicContact CB-CB 4.45Å; F37-W42 HydrophobicContact CB-CE3 4.18Å; F37-W42 AromaticContact CD2-CE3 3.91Å; F37-W42 HydrophobicContact CD2-CE3 3.91Å; F37-W42 HydrophobicContact CD2-CZ3 4.07Å; F37-W42 HydrophobicContact CG-CE3 4.23Å; T38-W42 WeakPolarHBondContact O-CB 3.29Å; T38-W42 PolarHBondContact O-N 2.68Å; W42-Q44 PolarHBondContact O-N 3.32Å; W42-L45 HydrophobicContact CD2-CD1 4.44Å; W42-L45 HydrophobicContact CE3-CD1 3.81Å; W42-L45 HydrophobicContact CZ3-CD1 4.13Å; W42-L45 PolarHBondContact O-N 2.91Å; W42-R50 HydrophobicContact CH2-CB 4.28Å; W42-R50 HydrophobicContact CH2-CG 4.26Å; W42-R50 HydrophobicContact CZ2-CB 4.13Å; W42-R50 HydrophobicContact CZ2-CG 3.94Å; W42-R50 PolarHBondContact O-NE 2.75Å; W42-R50 PolarHBondContact O-NH2 3.16Å; W42-R50 VanDerWaalsContact O-NH2 3.09Å; W42-F53 AromaticContact CH2-CD1 3.62Å; W42-F53 HydrophobicContact CH2-CD1 3.62Å; W42-F53 HydrophobicContact CH2-CE1 4.13Å; W42-F53 HydrophobicContact CH2-CG 4.43Å; W42-F53 AromaticContact CZ3-CD1 3.48Å; W42-F53 HydrophobicContact CZ3-CD1 3.48Å; W42-F53 VanDerWaalsContact CZ3-CD1 3.48Å; W42-F53 AromaticContact CZ3-CE1 3.8Å; W42-F53 HydrophobicContact CZ3-CE1 3.8Å; W42-F53 HydrophobicContact CZ3-CG 4.08Å; W42-E85 PolarHBondContact NE1-OE1 3.36Å
43	K	66.1	Low	67.3	Low	112 Å²	112	76.9 Å²	76.9	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-27.7	174.2	-74.7	162	-161.8	157.3	0	113.4	Q39 E40 E41 R50	Q39-K43 WeakPolarHBondContact O-CD 3.38Å; Q39-K43 WeakPolarHBondContact O-CE 3.45Å; Q39-K43 WeakPolarHBondContact O-CG 3.48Å; Q39-K43 PolarHBondContact O-N 3.18Å; E40-K43 IonicContact OE1-NZ 3.21Å; E40-K43 PolarHBondContact OE1-NZ 3.17Å; E41-K43 VanDerWaalsContact C-N 3.27Å; E41-K43 PolarHBondContact O-N 2.92Å; K43-R50 PolarHBondContact O-NH2 3.22Å
44	Q	65.8	Low	68	Low	164 Å²	164	77 Å²	77	77%	0.766	40%	0.397	S	S	*	.	H	α-helix	trans	-87.3	-16.9	179.5	-71.9	-179.9	71.4	0	0	113.8	E40 E41 W42	E40-Q44 PolarHBondContact O-NE2 3.1Å; E41-Q44 WeakPolarHBondContact O-CA 3.36Å; E41-Q44 WeakPolarHBondContact O-CB 3.45Å; E41-Q44 PolarHBondContact O-N 3.21Å; W42-Q44 PolarHBondContact O-N 3.32Å
45	L	69.3	Low	68.6	Low	30 Å²	30	81.5 Å²	81.5	16%	0.157	42%	0.421	C	S	.	.	S	Bend	trans	-66.8	133.3	173.1	-62	179.4	0	0	0	111.1	F37 E41 W42 Q49 R50	F37-L45 HydrophobicContact CD1-CD1 4.31Å; F37-L45 HydrophobicContact CD2-CD1 4.27Å; F37-L45 HydrophobicContact CE1-CD1 4.04Å; F37-L45 HydrophobicContact CE1-CD2 4.3Å; F37-L45 HydrophobicContact CE2-CD1 3.99Å; F37-L45 HydrophobicContact CG-CD1 4.41Å; F37-L45 HydrophobicContact CZ-CD1 3.87Å; F37-L45 HydrophobicContact CZ-CD2 4.46Å; E41-L45 PolarHBondContact O-N 3.29Å; W42-L45 HydrophobicContact CD2-CD1 4.44Å; W42-L45 HydrophobicContact CE3-CD1 3.81Å; W42-L45 HydrophobicContact CZ3-CD1 4.13Å; W42-L45 PolarHBondContact O-N 2.91Å; L45-Q49 HydrophobicContact CB-CB 4.21Å; L45-Q49 HydrophobicContact CD2-CB 4.35Å; L45-R50 HydrophobicContact CB-CG 3.8Å; L45-R50 HydrophobicContact CD1-CG 4.41Å; L45-R50 PolarHBondContact O-NE 2.94Å; L45-R50 PolarHBondContact O-NH2 2.92Å
46	D	71.9	Confident	69.1	Low	76 Å²	76	80 Å²	80	41%	0.406	41%	0.412	S	S	.	.			trans	-72.3	162	173	82.3	63.2	0	0	0	111.8	G48 Q49 R50	D46-G48 VanDerWaalsContact C-N 3.29Å; D46-G48 PolarHBondContact O-N 3.05Å; D46-G48 WeakPolarHBondContact OD1-CA 3.32Å; D46-G48 PolarHBondContact OD1-N 3Å; D46-Q49 WeakPolarHBondContact O-CB 3.27Å; D46-Q49 PolarHBondContact O-N 3.24Å; D46-Q49 VanDerWaalsContact O-N 3.08Å; D46-Q49 PolarHBondContact OD1-N 3.25Å; D46-Q49 VanDerWaalsContact OD1-N 3.07Å; D46-Q49 VanDerWaalsContact OD2-CG 3.24Å; D46-Q49 WeakPolarHBondContact OD2-CG 3.26Å; D46-Q49 PolarHBondContact OD2-NE2 3.15Å; D46-Q49 VanDerWaalsContact OD2-NE2 3.16Å; D46-R50 PolarHBondContact O-N 3.42Å
47	P	64.5	Low	69.7	Low	101 Å²	101	75 Å²	75	66%	0.656	39%	0.385	S	S	*	.	H	α-helix	trans	-56.8	-38.4	-176.8	-26.7	36	0	0	0	114.2	R50 D51	P47-R50 PolarHBondContact O-N 2.85Å; P47-D51 WeakPolarHBondContact O-CB 3.34Å; P47-D51 PolarHBondContact O-N 3.36Å
48	G	67.5	Low	70	Confident	44 Å²	44	73.7 Å²	73.7	45%	0.454	38%	0.381	S	S	.	.	H	α-helix	trans	-71.2	-30.2	178	0	0	0	0	0	113	D46 L52	D46-G48 VanDerWaalsContact C-N 3.29Å; D46-G48 PolarHBondContact O-N 3.05Å; D46-G48 WeakPolarHBondContact OD1-CA 3.32Å; D46-G48 PolarHBondContact OD1-N 3Å; G48-L52 VanDerWaalsContact O-CB 3.22Å; G48-L52 WeakPolarHBondContact O-CB 3.42Å; G48-L52 PolarHBondContact O-N 3.3Å
49	Q	70.6	Confident	70.4	Confident	91 Å²	91	75 Å²	75	43%	0.425	38%	0.382	S	S	.	.	H	α-helix	trans	-69.2	-40.4	170.1	-70.9	171	-2.1	0	0	112	L45 D46 L52 F53	L45-Q49 HydrophobicContact CB-CB 4.21Å; L45-Q49 HydrophobicContact CD2-CB 4.35Å; D46-Q49 WeakPolarHBondContact O-CB 3.27Å; D46-Q49 PolarHBondContact O-N 3.24Å; D46-Q49 VanDerWaalsContact O-N 3.08Å; D46-Q49 PolarHBondContact OD1-N 3.25Å; D46-Q49 VanDerWaalsContact OD1-N 3.07Å; D46-Q49 VanDerWaalsContact OD2-CG 3.24Å; D46-Q49 WeakPolarHBondContact OD2-CG 3.26Å; D46-Q49 PolarHBondContact OD2-NE2 3.15Å; D46-Q49 VanDerWaalsContact OD2-NE2 3.16Å; Q49-L52 PolarHBondContact O-N 3.25Å; Q49-F53 WeakPolarHBondContact O-CB 3.49Å; Q49-F53 PolarHBondContact O-N 3.03Å
50	R	76.4	Confident	71.3	Confident	57 Å²	57	73.9 Å²	73.9	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-66.8	-42.6	175.6	-63.6	-176.7	-155.6	-167.7	6.4	111.8	W42 K43 L45 D46 P47 F53 R54 E85	W42-R50 HydrophobicContact CH2-CB 4.28Å; W42-R50 HydrophobicContact CH2-CG 4.26Å; W42-R50 HydrophobicContact CZ2-CB 4.13Å; W42-R50 HydrophobicContact CZ2-CG 3.94Å; W42-R50 PolarHBondContact O-NE 2.75Å; W42-R50 PolarHBondContact O-NH2 3.16Å; W42-R50 VanDerWaalsContact O-NH2 3.09Å; K43-R50 PolarHBondContact O-NH2 3.22Å; L45-R50 HydrophobicContact CB-CG 3.8Å; L45-R50 HydrophobicContact CD1-CG 4.41Å; L45-R50 PolarHBondContact O-NE 2.94Å; L45-R50 PolarHBondContact O-NH2 2.92Å; D46-R50 PolarHBondContact O-N 3.42Å; P47-R50 PolarHBondContact O-N 2.85Å; R50-F53 PolarHBondContact O-N 2.84Å; R50-R54 WeakPolarHBondContact O-CG 3.44Å; R50-R54 PolarHBondContact O-N 3Å; R50-E85 IonicContact CZ-OE1 3.87Å; R50-E85 IonicContact NH1-OE1 3.91Å; R50-E85 PolarHBondContact NH1-OE1 3.38Å
51	D	70.6	Confident	72	Confident	94 Å²	94	70.6 Å²	70.6	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-63	-43.9	174.7	-73.8	-20.2	0	0	0	111.3	P47 F53 R54 D55	P47-D51 WeakPolarHBondContact O-CB 3.34Å; P47-D51 PolarHBondContact O-N 3.36Å; D51-F53 VanDerWaalsContact C-N 3.33Å; D51-F53 PolarHBondContact O-N 2.99Å; D51-R54 WeakPolarHBondContact O-CB 3.31Å; D51-R54 PolarHBondContact O-N 3.06Å; D51-D55 PolarHBondContact O-N 3.32Å
52	L	75.1	Confident	72.2	Confident	109 Å²	109	69.7 Å²	69.7	57%	0.571	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-40.1	174.5	179.4	63.3	0	0	0	112.2	G48 Q49 V56	G48-L52 VanDerWaalsContact O-CB 3.22Å; G48-L52 WeakPolarHBondContact O-CB 3.42Å; G48-L52 PolarHBondContact O-N 3.3Å; Q49-L52 PolarHBondContact O-N 3.25Å; L52-V56 HydrophobicContact CD1-CG2 3.98Å; L52-V56 HydrophobicContact CG-CG2 4.41Å; L52-V56 WeakPolarHBondContact O-CB 3.35Å; L52-V56 VanDerWaalsContact O-CG2 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 2.91Å
53	F	80	Confident	72.1	Confident	28 Å²	28	74 Å²	74	12%	0.123	38%	0.384	C	S	.	.	H	α-helix	trans	-63.4	-41.9	174.8	176	-98.8	0	0	0	112.1	I34 V35 F37 W42 Q49 R50 D51 T57 L80	I34-F53 HydrophobicContact CD1-CZ 4.41Å; I34-F53 HydrophobicContact CG1-CZ 4.27Å; V35-F53 HydrophobicContact CB-CE2 4.35Å; V35-F53 WeakPolarHBondContact O-CE2 3.42Å; V35-F53 VanDerWaalsContact O-CZ 3.3Å; V35-F53 WeakPolarHBondContact O-CZ 3.37Å; F37-F53 HydrophobicContact CD2-CD2 4.36Å; F37-F53 HydrophobicContact CD2-CE2 4.12Å; F37-F53 HydrophobicContact CD2-CZ 4.33Å; F37-F53 AromaticContact CE2-CD2 3.66Å; F37-F53 HydrophobicContact CE2-CD2 3.66Å; F37-F53 AromaticContact CE2-CE2 3.76Å; F37-F53 HydrophobicContact CE2-CE2 3.76Å; F37-F53 HydrophobicContact CE2-CG 4.21Å; F37-F53 HydrophobicContact CE2-CZ 4.4Å; W42-F53 AromaticContact CH2-CD1 3.62Å; W42-F53 HydrophobicContact CH2-CD1 3.62Å; W42-F53 HydrophobicContact CH2-CE1 4.13Å; W42-F53 HydrophobicContact CH2-CG 4.43Å; W42-F53 AromaticContact CZ3-CD1 3.48Å; W42-F53 HydrophobicContact CZ3-CD1 3.48Å; W42-F53 VanDerWaalsContact CZ3-CD1 3.48Å; W42-F53 AromaticContact CZ3-CE1 3.8Å; W42-F53 HydrophobicContact CZ3-CE1 3.8Å; W42-F53 HydrophobicContact CZ3-CG 4.08Å; Q49-F53 WeakPolarHBondContact O-CB 3.49Å; Q49-F53 PolarHBondContact O-N 3.03Å; R50-F53 PolarHBondContact O-N 2.84Å; D51-F53 VanDerWaalsContact C-N 3.33Å; D51-F53 PolarHBondContact O-N 2.99Å; F53-T57 WeakPolarHBondContact CE2-OG1 3.25Å; F53-T57 WeakPolarHBondContact CZ-OG1 3.34Å; F53-T57 WeakPolarHBondContact O-CB 3.44Å; F53-T57 PolarHBondContact O-N 3.13Å; F53-T57 PolarHBondContact O-OG1 3.49Å; F53-L80 HydrophobicContact CE1-CD1 4.33Å
54	R	73.9	Confident	72.1	Confident	55 Å²	55	69.5 Å²	69.5	21%	0.208	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-51.1	176	-73.1	178.1	167.2	-161.2	-9.8	111.1	R50 D51 T57 L58 L80 G83 T84	R50-R54 WeakPolarHBondContact O-CG 3.44Å; R50-R54 PolarHBondContact O-N 3Å; D51-R54 WeakPolarHBondContact O-CB 3.31Å; D51-R54 PolarHBondContact O-N 3.06Å; R54-T57 PolarHBondContact O-N 3.29Å; R54-L58 WeakPolarHBondContact O-CB 3.47Å; R54-L58 VanDerWaalsContact O-CG 3.3Å; R54-L58 WeakPolarHBondContact O-CG 3.45Å; R54-L58 PolarHBondContact O-N 2.8Å; R54-L80 HydrophobicContact CG-CD2 3.91Å; R54-G83 PolarHBondContact NH1-O 3.02Å; R54-G83 PolarHBondContact NH2-O 3.21Å; R54-T84 PolarHBondContact NH2-O 3.16Å
55	D	73.1	Confident	72.1	Confident	117 Å²	117	64.9 Å²	64.9	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-59.2	-49.9	178.9	-87.9	-1.8	0	0	0	111.9	D51 T57 L58 E59	D51-D55 PolarHBondContact O-N 3.32Å; D55-T57 PolarHBondContact O-N 2.58Å; D55-L58 PolarHBondContact O-N 3.06Å; D55-E59 VanDerWaalsContact O-CB 3.28Å; D55-E59 WeakPolarHBondContact O-CB 3.19Å; D55-E59 PolarHBondContact O-N 3.47Å
56	V	76.2	Confident	71.8	Confident	62 Å²	62	67.9 Å²	67.9	38%	0.376	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-39.9	-179.1	170.7	0	0	0	0	111.8	L52 E59 N60	L52-V56 HydrophobicContact CD1-CG2 3.98Å; L52-V56 HydrophobicContact CG-CG2 4.41Å; L52-V56 WeakPolarHBondContact O-CB 3.35Å; L52-V56 VanDerWaalsContact O-CG2 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 2.91Å; V56-E59 PolarHBondContact O-N 3.43Å; V56-N60 WeakPolarHBondContact O-CB 3.27Å; V56-N60 VanDerWaalsContact O-CG 3.23Å; V56-N60 PolarHBondContact O-N 3.18Å
57	T	76.6	Confident	71.7	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-68.8	-39.9	-179.3	-58.5	0	0	0	0	111.6	F30 I34 F53 R54 D55 Y61 I77 L80	F30-T57 HydrophobicContact CZ-CG2 3.91Å; I34-T57 HydrophobicContact CD1-CG2 3.66Å; I34-T57 HydrophobicContact CG1-CG2 4.09Å; F53-T57 WeakPolarHBondContact CE2-OG1 3.25Å; F53-T57 WeakPolarHBondContact CZ-OG1 3.34Å; F53-T57 WeakPolarHBondContact O-CB 3.44Å; F53-T57 PolarHBondContact O-N 3.13Å; F53-T57 PolarHBondContact O-OG1 3.49Å; R54-T57 PolarHBondContact O-N 3.29Å; D55-T57 PolarHBondContact O-N 2.58Å; T57-Y61 PolarHBondContact O-N 3.41Å; T57-I77 HydrophobicContact CG2-CD1 3.87Å; T57-L80 HydrophobicContact CG2-CD1 4.08Å
58	L	73.7	Confident	71	Confident	46 Å²	46	68.5 Å²	68.5	24%	0.241	38%	0.383	C	S	.	.	H	α-helix	trans	-70.4	-38.6	174.5	-68.5	168.6	0	0	0	112.1	R54 D55 Y61 T62 I77 E81	R54-L58 WeakPolarHBondContact O-CB 3.47Å; R54-L58 VanDerWaalsContact O-CG 3.3Å; R54-L58 WeakPolarHBondContact O-CG 3.45Å; R54-L58 PolarHBondContact O-N 2.8Å; D55-L58 PolarHBondContact O-N 3.06Å; L58-Y61 PolarHBondContact O-N 3.09Å; L58-T62 WeakPolarHBondContact O-CB 3.42Å; L58-T62 PolarHBondContact O-N 3.39Å; L58-T62 PolarHBondContact O-OG1 3.01Å; L58-I77 HydrophobicContact CD2-CD1 4.2Å; L58-I77 HydrophobicContact CD2-CG2 4.16Å; L58-E81 HydrophobicContact CD2-CG 3.96Å
59	E	76.1	Confident	70.4	Confident	102 Å²	102	69.3 Å²	69.3	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-41.7	174.4	-176	161.6	-113.9	0	0	111.3	D55 V56 T62 H63	D55-E59 VanDerWaalsContact O-CB 3.28Å; D55-E59 WeakPolarHBondContact O-CB 3.19Å; D55-E59 PolarHBondContact O-N 3.47Å; V56-E59 PolarHBondContact O-N 3.43Å; E59-T62 PolarHBondContact O-N 3.15Å; E59-H63 WeakPolarHBondContact CG-CE1 3.35Å; E59-H63 PolarHBondContact O-N 3.38Å; E59-H63 PolarHBondContact O-ND1 3.16Å
60	N	71.5	Confident	69.5	Low	48 Å²	48	74.8 Å²	74.8	26%	0.257	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-44.6	174.8	-76	-11.5	0	0	0	112.7	V33 V56 T62 H63 L64	V33-N60 HydrophobicContact CG1-CB 4.15Å; V56-N60 WeakPolarHBondContact O-CB 3.27Å; V56-N60 VanDerWaalsContact O-CG 3.23Å; V56-N60 PolarHBondContact O-N 3.18Å; N60-T62 PolarHBondContact O-N 2.97Å; N60-H63 PolarHBondContact O-N 3.38Å; N60-L64 WeakPolarHBondContact O-CG 3.35Å; N60-L64 PolarHBondContact O-N 3.39Å
61	Y	74.8	Confident	68.6	Low	35 Å²	35	73.9 Å²	73.9	14%	0.137	40%	0.403	C	S	.	.	H	α-helix	trans	-60	-45.4	174.3	179.5	-107.8	0	0	0	111.6	F30 T57 L58 H63 L64 V65 V71 K73 I77	F30-Y61 AromaticContact CD2-CD2 3.98Å; F30-Y61 HydrophobicContact CD2-CD2 3.98Å; F30-Y61 HydrophobicContact CE2-CD2 4.09Å; F30-Y61 HydrophobicContact CE2-CG 4.39Å; T57-Y61 PolarHBondContact O-N 3.41Å; L58-Y61 PolarHBondContact O-N 3.09Å; Y61-H63 VanDerWaalsContact C-N 3.32Å; Y61-H63 PolarHBondContact O-N 3.35Å; Y61-L64 PolarHBondContact O-N 3.42Å; Y61-V65 HydrophobicContact CD1-CG2 4.47Å; Y61-V65 HydrophobicContact CD2-CG2 4.47Å; Y61-V65 HydrophobicContact CE1-CG2 4.01Å; Y61-V65 HydrophobicContact CE2-CG2 4.01Å; Y61-V65 WeakPolarHBondContact O-CG2 3.4Å; Y61-V65 PolarHBondContact O-N 2.98Å; Y61-V71 HydrophobicContact CE2-CG1 4.21Å; Y61-K73 WeakPolarHBondContact OH-CA 3.41Å; Y61-I77 HydrophobicContact CD1-CG2 3.89Å; Y61-I77 HydrophobicContact CD2-CG1 4.1Å; Y61-I77 HydrophobicContact CE1-CG2 4.09Å; Y61-I77 HydrophobicContact CG-CD1 4.12Å; Y61-I77 HydrophobicContact CG-CG1 4.01Å; Y61-I77 HydrophobicContact CG-CG2 4.24Å
62	T	70.9	Confident	68.1	Low	80 Å²	80	74.6 Å²	74.6	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-41.5	177.6	-56.3	0	0	0	0	111.7	L58 E59 N60 S66	L58-T62 WeakPolarHBondContact O-CB 3.42Å; L58-T62 PolarHBondContact O-N 3.39Å; L58-T62 PolarHBondContact O-OG1 3.01Å; E59-T62 PolarHBondContact O-N 3.15Å; N60-T62 PolarHBondContact O-N 2.97Å; T62-S66 WeakPolarHBondContact O-CB 3.43Å; T62-S66 PolarHBondContact O-N 2.97Å; T62-S66 PolarHBondContact O-OG 2.82Å
63	H	69.3	Low	67.7	Low	99 Å²	99	73.9 Å²	73.9	46%	0.458	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-41.9	176.1	-72.5	133.6	0	0	0	112.9	E59 N60 Y61 S66 I67	E59-H63 WeakPolarHBondContact CG-CE1 3.35Å; E59-H63 PolarHBondContact O-N 3.38Å; E59-H63 PolarHBondContact O-ND1 3.16Å; N60-H63 PolarHBondContact O-N 3.38Å; Y61-H63 VanDerWaalsContact C-N 3.32Å; Y61-H63 PolarHBondContact O-N 3.35Å; H63-S66 WeakPolarHBondContact O-CB 3.26Å; H63-S66 PolarHBondContact O-N 2.84Å; H63-I67 WeakPolarHBondContact O-CD1 3.45Å; H63-I67 WeakPolarHBondContact O-CG1 3.46Å; H63-I67 PolarHBondContact O-N 2.84Å; H63-I67 VanDerWaalsContact O-N 3.14Å
64	L	66.5	Low	67.1	Low	16 Å²	16	74 Å²	74	8%	0.084	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-41.6	178.1	-74.4	163.8	0	0	0	112.3	F30 V33 N60 Y61 S66 I67 L69	F30-L64 HydrophobicContact CD2-CD1 3.78Å; V33-L64 HydrophobicContact CB-CD1 4.3Å; V33-L64 HydrophobicContact CG1-CD1 4.46Å; V33-L64 HydrophobicContact CG2-CD1 4.27Å; N60-L64 WeakPolarHBondContact O-CG 3.35Å; N60-L64 PolarHBondContact O-N 3.39Å; Y61-L64 PolarHBondContact O-N 3.42Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-I67 PolarHBondContact O-N 3.08Å; L64-L69 HydrophobicContact CD2-CD1 4.22Å
65	V	66.3	Low	66.6	Low	68 Å²	68	77.2 Å²	77.2	41%	0.412	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-39.7	172.4	175.3	0	0	0	0	111.1	Y61 I67 G68	Y61-V65 HydrophobicContact CD1-CG2 4.47Å; Y61-V65 HydrophobicContact CD2-CG2 4.47Å; Y61-V65 HydrophobicContact CE1-CG2 4.01Å; Y61-V65 HydrophobicContact CE2-CG2 4.01Å; Y61-V65 WeakPolarHBondContact O-CG2 3.4Å; Y61-V65 PolarHBondContact O-N 2.98Å; V65-I67 PolarHBondContact O-N 2.87Å; V65-G68 PolarHBondContact O-N 3.32Å
66	S	63.5	Low	66.1	Low	92 Å²	92	73.4 Å²	73.4	64%	0.643	41%	0.413	S	S	*	.	H	α-helix	trans	-66.5	-16.9	178.7	-59.3	0	0	0	0	114.3	T62 H63 L64 G68	T62-S66 WeakPolarHBondContact O-CB 3.43Å; T62-S66 PolarHBondContact O-N 2.97Å; T62-S66 PolarHBondContact O-OG 2.82Å; H63-S66 WeakPolarHBondContact O-CB 3.26Å; H63-S66 PolarHBondContact O-N 2.84Å; L64-S66 VanDerWaalsContact C-N 3.34Å; S66-G68 VanDerWaalsContact C-N 3.29Å
67	I	67.9	Low	65.9	Low	125 Å²	125	70.5 Å²	70.5	64%	0.641	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.3	175	-69.1	161.7	0	0	0	111.6	H63 L64 V65 L69	H63-I67 WeakPolarHBondContact O-CD1 3.45Å; H63-I67 WeakPolarHBondContact O-CG1 3.46Å; H63-I67 PolarHBondContact O-N 2.84Å; H63-I67 VanDerWaalsContact O-N 3.14Å; L64-I67 PolarHBondContact O-N 3.08Å; V65-I67 PolarHBondContact O-N 2.87Å; I67-L69 HydrophobicContact CG2-CD1 4.49Å; I67-L69 HydrophobicContact CG2-CG 4.41Å
68	G	50.3	Low	65.6	Low	65 Å²	65	72 Å²	72	67%	0.67	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	9.5	176.1	0	0	0	0	0	114.7	V65 S66	V65-G68 PolarHBondContact O-N 3.32Å; S66-G68 VanDerWaalsContact C-N 3.29Å
69	L	56.1	Low	65.2	Low	61 Å²	61	73.2 Å²	73.2	32%	0.319	41%	0.411	S	S	.	.			trans	-71.8	126.6	171.8	-65.2	169.6	0	0	0	109.6	L64 I67 V71	L64-L69 HydrophobicContact CD2-CD1 4.22Å; I67-L69 HydrophobicContact CG2-CD1 4.49Å; I67-L69 HydrophobicContact CG2-CG 4.41Å; L69-V71 VanDerWaalsContact C-N 3.26Å; L69-V71 HydrophobicContact CB-CG2 3.98Å; L69-V71 PolarHBondContact O-N 3.18Å
70	Q	50.9	Low	64.7	Low	206 Å²	206	68.8 Å²	68.8	96%	0.963	39%	0.39	S	S	*	.			trans	-75.2	81.1	170.6	-75.5	-160.8	-14.1	0	0	110.5
71	V	58.4	Low	64.5	Low	39 Å²	39	71.6 Å²	71.6	24%	0.236	40%	0.402	C	S	.	.			trans	-88.8	118.1	171.8	-174.3	0	0	0	0	108.6	F30 Y61 L69 K73	F30-V71 HydrophobicContact CB-CG1 4.25Å; Y61-V71 HydrophobicContact CE2-CG1 4.21Å; L69-V71 VanDerWaalsContact C-N 3.26Å; L69-V71 HydrophobicContact CB-CG2 3.98Å; L69-V71 PolarHBondContact O-N 3.18Å; V71-K73 PolarHBondContact O-N 3.06Å
72	S	58.3	Low	63.7	Low	108 Å²	108	76.6 Å²	76.6	76%	0.755	43%	0.427	S	S	*	.			trans	-64.7	131.2	167.6	36.9	0	0	0	0	109.7	P74	S72-P74 WeakPolarHBondContact O-CD 3.46Å; S72-P74 VanDerWaalsContact O-N 3.14Å
73	K	67.1	Low	62.9	Low	94 Å²	94	74.7 Å²	74.7	41%	0.409	42%	0.423	S	S	.	.			trans	-57.3	115.3	-172.2	-172.7	178.9	-173.6	175.6	0	111.2	Y61 V71 I77 E81	Y61-K73 WeakPolarHBondContact OH-CA 3.41Å; V71-K73 PolarHBondContact O-N 3.06Å; K73-I77 HydrophobicContact CG-CG2 4.25Å; K73-E81 WeakPolarHBondContact CE-OE1 3.34Å; K73-E81 IonicContact NZ-OE1 2.88Å; K73-E81 PolarHBondContact NZ-OE1 3.47Å; K73-E81 IonicContact NZ-OE2 2.74Å; K73-E81 PolarHBondContact NZ-OE2 2.87Å
74	P	68.4	Low	62.2	Low	30 Å²	30	73.6 Å²	73.6	20%	0.195	42%	0.423	C	S	.	.			trans	-68.9	147.2	-178.5	-20.5	33.4	0	0	0	112.3	F30 S72 V76 I77 S78	F30-P74 HydrophobicContact CB-CG 4.34Å; F30-P74 HydrophobicContact CD1-CB 4.18Å; F30-P74 HydrophobicContact CD1-CG 3.59Å; F30-P74 HydrophobicContact CE1-CB 4.42Å; F30-P74 HydrophobicContact CE1-CG 4.11Å; F30-P74 HydrophobicContact CG-CG 3.97Å; S72-P74 WeakPolarHBondContact O-CD 3.46Å; S72-P74 VanDerWaalsContact O-N 3.14Å; P74-V76 PolarHBondContact O-N 3.29Å; P74-I77 HydrophobicContact CB-CG1 4.4Å; P74-I77 HydrophobicContact CG-CG1 4.32Å; P74-I77 WeakPolarHBondContact O-CB 3.42Å; P74-I77 PolarHBondContact O-N 2.85Å; P74-S78 PolarHBondContact O-N 3.31Å; P74-S78 VanDerWaalsContact O-N 3.09Å
75	D	62.1	Low	61.5	Low	124 Å²	124	76.5 Å²	76.5	66%	0.663	44%	0.436	S	S	*	.	H	α-helix	trans	-58.3	-35.7	-179.7	-65.2	-56.3	0	0	0	112.9	I77 S78 Q79	D75-I77 VanDerWaalsContact C-N 3.34Å; D75-I77 PolarHBondContact O-N 3.32Å; D75-S78 CarbonylContact O-C 3.58Å; D75-S78 WeakPolarHBondContact O-CA 3.38Å; D75-S78 VanDerWaalsContact O-CB 3.31Å; D75-S78 WeakPolarHBondContact O-CB 3.28Å; D75-S78 PolarHBondContact O-N 3.28Å; D75-S78 VanDerWaalsContact O-N 3.1Å; D75-Q79 WeakPolarHBondContact O-CG 3.33Å; D75-Q79 PolarHBondContact O-N 3.23Å
76	V	64	Low	60.6	Low	37 Å²	37	74.1 Å²	74.1	22%	0.224	42%	0.422	C	S	.	.	H	α-helix	trans	-59.4	-42.9	174.8	179.5	0	0	0	0	111.3	I34 P74 S78 Q79 L80 P86	I34-V76 HydrophobicContact CD1-CG1 4.09Å; P74-V76 PolarHBondContact O-N 3.29Å; V76-S78 VanDerWaalsContact C-N 3.33Å; V76-S78 PolarHBondContact O-N 3.44Å; V76-Q79 PolarHBondContact O-N 3.34Å; V76-L80 HydrophobicContact CG1-CD1 4.26Å; V76-L80 HydrophobicContact CG1-CG 4.4Å; V76-L80 WeakPolarHBondContact O-CB 3.48Å; V76-L80 VanDerWaalsContact O-CG 3.3Å; V76-L80 WeakPolarHBondContact O-CG 3.32Å; V76-L80 PolarHBondContact O-N 3.35Å; V76-P86 HydrophobicContact CG1-CB 4.09Å; V76-P86 HydrophobicContact CG1-CG 4.3Å
77	I	71	Confident	60.3	Low	0 Å²	0	75.7 Å²	75.7	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-65.6	-39.5	175	-64.2	-63.5	0	0	0	110.7	F30 T57 L58 Y61 K73 P74 D75 Q79 L80 E81	F30-I77 HydrophobicContact CE1-CD1 4.33Å; F30-I77 HydrophobicContact CE1-CG1 4.14Å; F30-I77 HydrophobicContact CE2-CD1 4.22Å; F30-I77 HydrophobicContact CE2-CG1 4.44Å; F30-I77 HydrophobicContact CZ-CD1 3.64Å; F30-I77 HydrophobicContact CZ-CG1 3.87Å; T57-I77 HydrophobicContact CG2-CD1 3.87Å; L58-I77 HydrophobicContact CD2-CD1 4.2Å; L58-I77 HydrophobicContact CD2-CG2 4.16Å; Y61-I77 HydrophobicContact CD1-CG2 3.89Å; Y61-I77 HydrophobicContact CD2-CG1 4.1Å; Y61-I77 HydrophobicContact CE1-CG2 4.09Å; Y61-I77 HydrophobicContact CG-CD1 4.12Å; Y61-I77 HydrophobicContact CG-CG1 4.01Å; Y61-I77 HydrophobicContact CG-CG2 4.24Å; K73-I77 HydrophobicContact CG-CG2 4.25Å; P74-I77 HydrophobicContact CB-CG1 4.4Å; P74-I77 HydrophobicContact CG-CG1 4.32Å; P74-I77 WeakPolarHBondContact O-CB 3.42Å; P74-I77 PolarHBondContact O-N 2.85Å; D75-I77 VanDerWaalsContact C-N 3.34Å; D75-I77 PolarHBondContact O-N 3.32Å; I77-Q79 VanDerWaalsContact C-N 3.34Å; I77-Q79 PolarHBondContact O-N 2.96Å; I77-L80 PolarHBondContact O-N 3.25Å; I77-E81 WeakPolarHBondContact CG2-OE1 3.26Å; I77-E81 WeakPolarHBondContact O-CB 3.36Å; I77-E81 WeakPolarHBondContact O-CG 3.13Å; I77-E81 PolarHBondContact O-N 3.42Å
78	S	71.3	Confident	58.8	Low	37 Å²	37	76.6 Å²	76.6	26%	0.259	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-39.5	175.9	-157.7	0	0	0	0	112.6	P74 D75 V76 Q82	P74-S78 PolarHBondContact O-N 3.31Å; P74-S78 VanDerWaalsContact O-N 3.09Å; D75-S78 CarbonylContact O-C 3.58Å; D75-S78 WeakPolarHBondContact O-CA 3.38Å; D75-S78 VanDerWaalsContact O-CB 3.31Å; D75-S78 WeakPolarHBondContact O-CB 3.28Å; D75-S78 PolarHBondContact O-N 3.28Å; D75-S78 VanDerWaalsContact O-N 3.1Å; V76-S78 VanDerWaalsContact C-N 3.33Å; V76-S78 PolarHBondContact O-N 3.44Å; S78-Q82 VanDerWaalsContact O-CG 3.28Å; S78-Q82 WeakPolarHBondContact O-CG 3.35Å; S78-Q82 PolarHBondContact O-N 2.91Å; S78-Q82 PolarHBondContact O-NE2 3.12Å; S78-Q82 PolarHBondContact OG-NE2 2.86Å
79	Q	64.1	Low	57.9	Low	71 Å²	71	82.3 Å²	82.3	33%	0.332	43%	0.43	S	S	.	.	H	α-helix	trans	-70.1	-46	175.9	-69	166.9	17.5	0	0	111.6	D75 V76 I77 E81 Q82 G83 T84	D75-Q79 WeakPolarHBondContact O-CG 3.33Å; D75-Q79 PolarHBondContact O-N 3.23Å; V76-Q79 PolarHBondContact O-N 3.34Å; I77-Q79 VanDerWaalsContact C-N 3.34Å; I77-Q79 PolarHBondContact O-N 2.96Å; Q79-E81 PolarHBondContact O-N 3.29Å; Q79-Q82 CarbonylContact O-C 3.42Å; Q79-Q82 WeakPolarHBondContact O-CA 3.33Å; Q79-Q82 PolarHBondContact O-N 2.8Å; Q79-G83 PolarHBondContact O-N 2.83Å; Q79-T84 WeakPolarHBondContact CA-OG1 3.31Å; Q79-T84 PolarHBondContact O-N 3.16Å; Q79-T84 VanDerWaalsContact O-N 3.15Å; Q79-T84 PolarHBondContact O-OG1 3.36Å; Q79-T84 VanDerWaalsContact O-OG1 3.12Å
80	L	66.1	Low	56.6	Low	9 Å²	9	87.7 Å²	87.7	5%	0.047	45%	0.454	C	S	.	.	H	α-helix	trans	-63.6	-38.4	179.6	-70.6	-173.6	0	0	0	113	F53 R54 T57 V76 I77 Q82 G83 P86	F53-L80 HydrophobicContact CE1-CD1 4.33Å; R54-L80 HydrophobicContact CG-CD2 3.91Å; T57-L80 HydrophobicContact CG2-CD1 4.08Å; V76-L80 HydrophobicContact CG1-CD1 4.26Å; V76-L80 HydrophobicContact CG1-CG 4.4Å; V76-L80 WeakPolarHBondContact O-CB 3.48Å; V76-L80 VanDerWaalsContact O-CG 3.3Å; V76-L80 WeakPolarHBondContact O-CG 3.32Å; V76-L80 PolarHBondContact O-N 3.35Å; I77-L80 PolarHBondContact O-N 3.25Å; L80-Q82 VanDerWaalsContact C-N 3.29Å; L80-Q82 PolarHBondContact O-N 3.45Å; L80-G83 PolarHBondContact O-N 3.13Å; L80-G83 VanDerWaalsContact O-N 3.16Å; L80-P86 HydrophobicContact CD2-CG 3.8Å; L80-P86 HydrophobicContact CG-CG 4.39Å
81	E	67.9	Low	55.6	Low	107 Å²	107	84.3 Å²	84.3	50%	0.5	45%	0.45	S	S	.	.	H	α-helix	trans	-65.7	-29.8	171.7	-76.9	178.4	-137.9	0	0	113.3	L58 K73 I77 Q79 G83	L58-E81 HydrophobicContact CD2-CG 3.96Å; K73-E81 WeakPolarHBondContact CE-OE1 3.34Å; K73-E81 IonicContact NZ-OE1 2.88Å; K73-E81 PolarHBondContact NZ-OE1 3.47Å; K73-E81 IonicContact NZ-OE2 2.74Å; K73-E81 PolarHBondContact NZ-OE2 2.87Å; I77-E81 WeakPolarHBondContact CG2-OE1 3.26Å; I77-E81 WeakPolarHBondContact O-CB 3.36Å; I77-E81 WeakPolarHBondContact O-CG 3.13Å; I77-E81 PolarHBondContact O-N 3.42Å; Q79-E81 PolarHBondContact O-N 3.29Å; E81-G83 VanDerWaalsContact C-N 3.29Å
82	Q	57.9	Low	54.1	Low	141 Å²	141	87.3 Å²	87.3	66%	0.659	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.2	174.8	-70.9	172	70.4	0	0	112.9	S78 Q79 L80 T84	S78-Q82 VanDerWaalsContact O-CG 3.28Å; S78-Q82 WeakPolarHBondContact O-CG 3.35Å; S78-Q82 PolarHBondContact O-N 2.91Å; S78-Q82 PolarHBondContact O-NE2 3.12Å; S78-Q82 PolarHBondContact OG-NE2 2.86Å; Q79-Q82 CarbonylContact O-C 3.42Å; Q79-Q82 WeakPolarHBondContact O-CA 3.33Å; Q79-Q82 PolarHBondContact O-N 2.8Å; L80-Q82 VanDerWaalsContact C-N 3.29Å; L80-Q82 PolarHBondContact O-N 3.45Å; Q82-T84 VanDerWaalsContact C-N 3.28Å; Q82-T84 PolarHBondContact O-N 3.16Å
83	G	53.2	Low	52.8	Low	40 Å²	40	89.5 Å²	89.5	41%	0.412	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-0.9	178.3	0	0	0	0	0	115.4	R54 Q79 L80 E81	R54-G83 PolarHBondContact NH1-O 3.02Å; R54-G83 PolarHBondContact NH2-O 3.21Å; Q79-G83 PolarHBondContact O-N 2.83Å; L80-G83 PolarHBondContact O-N 3.13Å; L80-G83 VanDerWaalsContact O-N 3.16Å; E81-G83 VanDerWaalsContact C-N 3.29Å
84	T	55.6	Low	51.1	Low	75 Å²	75	90.6 Å²	90.6	46%	0.46	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-71.4	154.8	176.5	40.4	0	0	0	0	111.8	R54 Q79 Q82	R54-T84 PolarHBondContact NH2-O 3.16Å; Q79-T84 WeakPolarHBondContact CA-OG1 3.31Å; Q79-T84 PolarHBondContact O-N 3.16Å; Q79-T84 VanDerWaalsContact O-N 3.15Å; Q79-T84 PolarHBondContact O-OG1 3.36Å; Q79-T84 VanDerWaalsContact O-OG1 3.12Å; Q82-T84 VanDerWaalsContact C-N 3.28Å; Q82-T84 PolarHBondContact O-N 3.16Å
85	E	50.5	Low	49.3	Very low	77 Å²	77	96.3 Å²	96.3	36%	0.36	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-85.6	130	177.8	-67.6	-167.3	112.6	0	0	110.5	W42 R50 W87	W42-E85 PolarHBondContact NE1-OE1 3.36Å; R50-E85 IonicContact CZ-OE1 3.87Å; R50-E85 IonicContact NH1-OE1 3.91Å; R50-E85 PolarHBondContact NH1-OE1 3.38Å; E85-W87 HydrophobicContact CB-CE3 3.97Å; E85-W87 HydrophobicContact CB-CH2 4.08Å; E85-W87 HydrophobicContact CB-CZ3 3.41Å; E85-W87 VanDerWaalsContact CB-CZ3 3.41Å; E85-W87 HydrophobicContact CG-CZ3 4.35Å
86	P	47.5	Very low	47.5	Very low	18 Å²	18	93.4 Å²	93.4	12%	0.117	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-92.4	124.9	-177.3	34.6	-31.6	0	0	0	111.5	V76 L80	V76-P86 HydrophobicContact CG1-CB 4.09Å; V76-P86 HydrophobicContact CG1-CG 4.3Å; L80-P86 HydrophobicContact CD2-CG 3.8Å; L80-P86 HydrophobicContact CG-CG 4.39Å
87	W	57.6	Low	45.6	Very low	126 Å²	126	98.4 Å²	98.4	48%	0.477	56%	0.555	S	S	.	*			trans	-148.3	149.2	164.8	51.5	71	0	0	0	110.9	Q39 E85	Q39-W87 HydrophobicContact CG-CB 4.28Å; Q39-W87 HydrophobicContact CG-CD2 4.17Å; Q39-W87 HydrophobicContact CG-CE3 4.35Å; Q39-W87 HydrophobicContact CG-CG 4.13Å; E85-W87 HydrophobicContact CB-CE3 3.97Å; E85-W87 HydrophobicContact CB-CH2 4.08Å; E85-W87 HydrophobicContact CB-CZ3 3.41Å; E85-W87 VanDerWaalsContact CB-CZ3 3.41Å; E85-W87 HydrophobicContact CG-CZ3 4.35Å
88	I	35.7	Very low	43.5	Very low	144 Å²	144	104.2 Å²	104.2	74%	0.738	59%	0.594	S	S	*	*			trans	-98.6	147.6	-178.6	-63.2	173.4	0	0	0	109.4
89	M	31.1	Very low	41.2	Very low	185 Å²	185	107 Å²	107	91%	0.911	62%	0.62	S	S	*	*			trans	-107.6	113.2	178.7	-172.8	177.1	-172	0	0	109.8
90	E	28.8	Very low	39.3	Very low	174 Å²	174	110.4 Å²	110.4	81%	0.813	64%	0.64	S	S	*	*			trans	-88	150.1	175.7	-68.4	-154.8	134.8	0	0	112.8
91	P	30.8	Very low	37.2	Very low	135 Å²	135	120.3 Å²	120.3	88%	0.877	68%	0.677	S	S	*	*			trans	-75.2	134.3	176.5	-11.3	28.6	0	0	0	112
92	S	27.3	Very low	35	Very low	101 Å²	101	122.6 Å²	122.6	71%	0.706	69%	0.687	S	S	*	*			trans	-105.6	169.4	-172	56.3	0	0	0	0	114.5
93	I	29.9	Very low	33.3	Very low	155 Å²	155	121.8 Å²	121.8	80%	0.795	69%	0.692	S	S	*	*			trans	93	137	161.9	-55.5	172	0	0	0	115.8
94	P	31.9	Very low	31.8	Very low	116 Å²	116	130.2 Å²	130.2	75%	0.753	71%	0.712	S	S	*	*			cis	-120.9	163.9	-9.2	33	-16.9	0	0	0	115.3
95	V	31.5	Very low	30.2	Very low	150 Å²	150	133.1 Å²	133.1	91%	0.909	72%	0.724	S	S	*	*			trans	-93.8	141.3	158.2	171.1	0	0	0	0	109.5
96	G	24.4	Very low	28.8	Very low	64 Å²	64	136.3 Å²	136.3	66%	0.66	74%	0.739	S	S	*	*			trans	-134	93.6	179.5	0	0	0	0	0	114.2
97	T	22.9	Very low	27.7	Very low	142 Å²	142	141.7 Å²	141.7	87%	0.871	77%	0.766	S	S	*	*			trans	42.1	126.5	153.6	53.1	0	0	0	0	121.5
98	C	26.8	Very low	26	Very low	122 Å²	122	140.2 Å²	140.2	82%	0.824	78%	0.775	S	S	*	*			trans	-82.2	152.8	168.2	-173.5	0	0	0	0	112.6
99	A	23.4	Very low	25.4	Very low	96 Å²	96	139.5 Å²	139.5	79%	0.793	78%	0.778	S	S	*	*			trans	-152.8	151.7	164.6	0	0	0	0	0	111
100	D	24	Very low	25	Very low	141 Å²	141	135.7 Å²	135.7	75%	0.754	77%	0.769	S	S	*	*			trans	-99.2	177.1	-169	-78	-68.1	0	0	0	115.3
101	W	21.8	Very low	24.7	Very low	217 Å²	217	131.6 Å²	131.6	82%	0.822	77%	0.765	S	S	*	*			trans	67.2	118.2	145.9	84	-69.8	0	0	0	122.9
102	E	22.5	Very low	24.4	Very low	155 Å²	155	131 Å²	131	72%	0.724	76%	0.761	S	S	*	*				74.5	125.8	129.7	-73.7	-169.2	-172.1	0	0	125.1
103	T	22.3	Very low	24.5	Very low	124 Å²	124	134.7 Å²	134.7	76%	0.761	77%	0.767	S	S	*	*				58.9	105.6	123.4	-47.6	0	0	0	0	120.5
104	R	21.5	Very low	24.8	Very low	218 Å²	218	132.9 Å²	132.9	82%	0.823	77%	0.765	S	S	*	*				-152.6	145	120.5	-162.9	160.4	168.5	135.4	-5.2	113.5	E106	R104-E106 IonicContact CZ-OE1 3.45Å; R104-E106 IonicContact NE-OE1 3.11Å; R104-E106 PolarHBondContact NE-OE1 3.11Å; R104-E106 VanDerWaalsContact NE-OE1 3.11Å; R104-E106 IonicContact NH2-OE1 2.87Å; R104-E106 PolarHBondContact NH2-OE1 2.83Å
105	L	22.1	Very low	24.3	Very low	136 Å²	136	133.8 Å²	133.8	71%	0.712	76%	0.764	S	S	*	*			trans	-99	141.8	172.3	169.8	74.6	0	0	0	109.8
106	E	21.5	Very low	24.1	Very low	144 Å²	144	132.3 Å²	132.3	67%	0.673	75%	0.75	S	S	*	*			trans	-154.8	105.9	152.9	-113.3	153.2	-120.6	0	0	112	R104	R104-E106 IonicContact CZ-OE1 3.45Å; R104-E106 IonicContact NE-OE1 3.11Å; R104-E106 PolarHBondContact NE-OE1 3.11Å; R104-E106 VanDerWaalsContact NE-OE1 3.11Å; R104-E106 IonicContact NH2-OE1 2.87Å; R104-E106 PolarHBondContact NH2-OE1 2.83Å
107	N	23.5	Very low	24.2	Very low	130 Å²	130	134 Å²	134	70%	0.695	75%	0.751	S	S	*	*				33.2	143.6	119.1	-71.3	-1.9	0	0	0	120.1
108	S	22.6	Very low	24.4	Very low	95 Å²	95	134.9 Å²	134.9	66%	0.664	75%	0.745	S	S	*	*			cis	-179.7	-176.8	2.2	48.8	0	0	0	0	111.7
109	V	22.8	Very low	24.4	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	74%	0.742	S	S	*	*			trans	74.1	135.4	158.1	171.5	0	0	0	0	116.6
110	S	22.3	Very low	24.4	Very low	105 Å²	105	139 Å²	139	73%	0.734	74%	0.736	S	S	*	*			cis	-163.3	167.8	-20.2	-94.4	0	0	0	0	109.6
111	A	22.7	Very low	24.2	Very low	88 Å²	88	138.8 Å²	138.8	73%	0.727	73%	0.734	S	S	*	*			trans	-70.4	175.9	167.8	0	0	0	0	0	112.6
112	P	24.9	Very low	24.5	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	73%	0.729	S	S	*	*				-141.5	146.8	88.3	37.9	-24.3	0	0	0	116.5
113	E	30.2	Very low	25.3	Very low	179 Å²	179	130.8 Å²	130.8	84%	0.836	73%	0.726	S	S	*	*			trans	-101.2	159.7	138.1	-64.7	-166.5	159.6	0	0	108
114	P	34.4	Very low	25.4	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	73%	0.726	S	S	*	*				-126.7	157.8	99	5.5	17	0	0	0	112.7
115	D	23.4	Very low	25.5	Very low	135 Å²	135	127.2 Å²	127.2	72%	0.722	72%	0.717	S	S	*	*			cis	76.4	146.2	44.3	-153.2	38.3	0	0	0	112.4
116	I	26.7	Very low	25.8	Very low	120 Å²	120	127.2 Å²	127.2	62%	0.615	72%	0.716	S	S	*	*			cis	-125.9	-167.3	2.9	-8.6	177.2	0	0	0	108.3	E118	I116-E118 HydrophobicContact CG2-CG 4.35Å
117	S	25.6	Very low	26.1	Very low	98 Å²	98	125.9 Å²	125.9	69%	0.685	72%	0.718	S	S	*	*			cis	-150.1	166.3	7.1	10	0	0	0	0	109.2
118	E	27.4	Very low	26.1	Very low	161 Å²	161	126.3 Å²	126.3	75%	0.752	72%	0.715	S	S	*	*			cis	77.1	153.4	46.9	-50.6	-175.1	135.1	0	0	114.4	I116	I116-E118 HydrophobicContact CG2-CG 4.35Å
119	E	26.3	Very low	26.3	Very low	161 Å²	161	129.3 Å²	129.3	75%	0.752	72%	0.717	S	S	*	*			cis	-143.8	146.3	21.3	-101.3	-165.8	120.1	0	0	113.5
120	E	24.1	Very low	26.5	Very low	145 Å²	145	129.4 Å²	129.4	68%	0.678	71%	0.708	S	S	*	*				54.3	160.1	127.1	-59	-69.7	62.4	0	0	122.6
121	L	20.6	Very low	26.7	Very low	136 Å²	136	131.2 Å²	131.2	71%	0.712	70%	0.703	S	S	*	*			cis	-150	159.7	-2.3	-126.3	157.3	0	0	0	110.5
122	S	28.1	Very low	26.7	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	71%	0.71	S	S	*	*			trans	-91	-172.2	155.8	-60.4	0	0	0	0	110.3
123	P	38.5	Very low	26.6	Very low	103 Å²	103	136.9 Å²	136.9	67%	0.669	70%	0.697	S	S	*	*				-155.7	153.3	78.4	41	-20.1	0	0	0	117.9
124	E	24.5	Very low	26.2	Very low	162 Å²	162	134.7 Å²	134.7	76%	0.757	69%	0.691	S	S	*	*				68	164.1	129.1	-70.9	-172.8	155.1	0	0	123.2
125	V	24.2	Very low	25.6	Very low	106 Å²	106	133.8 Å²	133.8	64%	0.642	69%	0.688	S	S	*	*			cis	-143	134.2	7	106.8	0	0	0	0	108
126	I	26.9	Very low	25.4	Very low	136 Å²	136	138.3 Å²	138.3	70%	0.697	69%	0.694	S	S	*	*				73	141.9	79.1	-86.2	170.4	0	0	0	113.2
127	V	27.7	Very low	25.3	Very low	116 Å²	116	136 Å²	136	70%	0.703	69%	0.689	S	S	*	*			cis	-140.5	176.6	13.9	76.2	0	0	0	0	108.9
128	E	24.5	Very low	25.2	Very low	138 Å²	138	137.2 Å²	137.2	65%	0.645	70%	0.698	S	S	*	*			cis	-134.9	165.5	6.1	-154.2	173.9	145	0	0	106.9	H130	E128-H130 IonicContact OE1-CE1 3.87Å; E128-H130 IonicContact OE1-ND1 2.8Å; E128-H130 PolarHBondContact OE1-ND1 3.31Å
129	K	27.3	Very low	25	Very low	159 Å²	159	137.2 Å²	137.2	69%	0.691	70%	0.703	S	S	*	*			cis	61.2	157.2	39	-84.9	164.8	171.1	-178.2	0	111.7
130	H	26.7	Very low	24.8	Very low	132 Å²	132	137.1 Å²	137.1	61%	0.611	71%	0.707	S	S	*	*			cis	-117.9	143.9	-10	-74	104.5	0	0	0	110.9	E128	E128-H130 IonicContact OE1-CE1 3.87Å; E128-H130 IonicContact OE1-ND1 2.8Å; E128-H130 PolarHBondContact OE1-ND1 3.31Å
131	K	25.3	Very low	24.9	Very low	143 Å²	143	138.2 Å²	138.2	62%	0.622	72%	0.716	S	S	*	*			cis	78.1	116.5	48.1	-105.3	-167.1	159.9	-95.7	0	115.5	D133	K131-D133 IonicContact NZ-OD1 2.83Å; K131-D133 PolarHBondContact NZ-OD1 3.01Å
132	R	24.1	Very low	25	Very low	234 Å²	234	138.7 Å²	138.7	88%	0.883	72%	0.715	S	S	*	*				178.8	139.4	123	-155.7	172.9	-75.7	-148.4	-3.3	110.4
133	D	21.1	Very low	24.8	Very low	93 Å²	93	139.3 Å²	139.3	50%	0.497	72%	0.719	S	S	.	*			cis	-149.6	153.2	-38.6	-93.2	-22.6	0	0	0	107.4	K131	K131-D133 IonicContact NZ-OD1 2.83Å; K131-D133 PolarHBondContact NZ-OD1 3.01Å
134	D	22.8	Very low	24.4	Very low	133 Å²	133	144.8 Å²	144.8	71%	0.711	73%	0.726	S	S	*	*			trans	43.5	127.5	141.2	-57.1	-13.5	0	0	0	122.1
135	S	21.3	Very low	24.4	Very low	99 Å²	99	145 Å²	145	69%	0.692	73%	0.728	S	S	*	*				85	137	64.7	-155.4	0	0	0	0	112.4
136	W	20.6	Very low	24.5	Very low	229 Å²	229	144.5 Å²	144.5	87%	0.867	73%	0.728	S	S	*	*			cis	-139.6	169.6	4.9	-175.6	-93.3	0	0	0	110.9
137	S	22.9	Very low	24.4	Very low	72 Å²	72	146.8 Å²	146.8	50%	0.503	74%	0.735	S	S	.	*			trans	-77.2	160.5	-176.3	44.2	0	0	0	0	116.2
138	S	23.7	Very low	24.2	Very low	124 Å²	124	144.7 Å²	144.7	87%	0.867	74%	0.738	S	S	*	*			trans	-145.8	142	142.9	-82.8	0	0	0	0	109.6
139	N	23.5	Very low	24.3	Very low	161 Å²	161	142.9 Å²	142.9	86%	0.861	74%	0.74	S	S	*	*			trans	-91.4	132.3	-166.8	-63.3	-78.8	0	0	0	112
140	L	22.3	Very low	24.2	Very low	158 Å²	158	142.2 Å²	142.2	83%	0.827	74%	0.743	S	S	*	*			trans	-132.3	138.6	157.2	-166.3	66	0	0	0	109.1	E142	L140-E142 PolarHBondContact O-N 2.9Å
141	L	26	Very low	24	Very low	168 Å²	168	143.5 Å²	143.5	88%	0.88	75%	0.75	S	S	*	*			trans	-83.3	77.4	-173.4	-173.6	67.2	0	0	0	111.1
142	E	22.8	Very low	24	Very low	147 Å²	147	147 Å²	147	69%	0.687	76%	0.759	S	S	*	*			trans	-66.2	141.7	177.5	-70.8	-165.4	134.2	0	0	113	L140 W144	L140-E142 PolarHBondContact O-N 2.9Å; E142-W144 PolarHBondContact O-N 3.44Å
143	S	24.6	Very low	24	Very low	112 Å²	112	144 Å²	144	78%	0.783	76%	0.755	S	S	*	*			trans	-87	99.1	174.9	-68.6	0	0	0	0	110.2	E145	S143-E145 PolarHBondContact O-N 3.09Å
144	W	29.4	Very low	24.3	Very low	218 Å²	218	149 Å²	149	83%	0.826	78%	0.775	S	S	*	*			trans	-66.9	91.4	177.2	-65.7	-28.9	0	0	0	112.7	E142 C146	E142-W144 PolarHBondContact O-N 3.44Å; W144-C146 PolarHBondContact O-N 3.04Å
145	E	25.3	Very low	24.3	Very low	167 Å²	167	147.2 Å²	147.2	78%	0.78	78%	0.779	S	S	*	*			trans	-68.6	115.4	166.4	-61.7	-161.8	152.5	0	0	109.5	S143 E147	S143-E145 PolarHBondContact O-N 3.09Å; E145-E147 PolarHBondContact O-N 2.67Å; E145-E147 VanDerWaalsContact O-N 3.12Å
146	C	25.8	Very low	24.4	Very low	96 Å²	96	149.6 Å²	149.6	65%	0.649	78%	0.784	S	S	*	*			trans	-79.5	91.4	174.4	-72.1	0	0	0	0	109.8	W144 G148	W144-C146 PolarHBondContact O-N 3.04Å; C146-G148 PolarHBondContact O-N 3.09Å
147	E	24.1	Very low	24.8	Very low	183 Å²	183	146.7 Å²	146.7	86%	0.855	78%	0.78	S	S	*	*			trans	-61	106	169.6	-69.3	-157.9	121.5	0	0	110.8	E145 S149	E145-E147 PolarHBondContact O-N 2.67Å; E145-E147 VanDerWaalsContact O-N 3.12Å; E147-S149 PolarHBondContact O-N 2.85Å
148	G	25	Very low	25.1	Very low	73 Å²	73	151.7 Å²	151.7	75%	0.753	80%	0.796	S	S	*	*			trans	-89.3	89.1	168.8	0	0	0	0	0	110	C146 L150	C146-G148 PolarHBondContact O-N 3.09Å; G148-L150 PolarHBondContact O-N 2.94Å; G148-L150 VanDerWaalsContact O-N 3.12Å
149	S	25.1	Very low	25	Very low	100 Å²	100	152.8 Å²	152.8	70%	0.699	80%	0.797	S	S	*	*			trans	-50.1	115.7	179.5	-57.9	0	0	0	0	111.9	E147 E151	E147-S149 PolarHBondContact O-N 2.85Å; S149-E151 PolarHBondContact O-N 3.14Å
150	L	25.7	Very low	25.1	Very low	144 Å²	144	153.1 Å²	153.1	75%	0.754	80%	0.798	S	S	*	*			trans	-82.2	65.2	176	-167.9	86.5	0	0	0	110.3	G148 R152	G148-L150 PolarHBondContact O-N 2.94Å; G148-L150 VanDerWaalsContact O-N 3.12Å; L150-R152 HydrophobicContact CD2-CG 4.36Å; L150-R152 PolarHBondContact O-N 2.82Å
151	E	22.7	Very low	25.8	Very low	160 Å²	160	150.3 Å²	150.3	75%	0.748	79%	0.789	S	S	*	*			trans	-64.2	99.6	172	-70.6	-164.8	149.6	0	0	110.2	S149 Q153	S149-E151 PolarHBondContact O-N 3.14Å; E151-Q153 VanDerWaalsContact C-N 3.31Å; E151-Q153 PolarHBondContact O-N 3.07Å
152	R	24.7	Very low	25.7	Very low	216 Å²	216	151.9 Å²	151.9	82%	0.815	79%	0.789	S	S	*	*			trans	-78.9	80.7	168.9	-69.6	-175.5	179.1	-179.1	-0.3	109.6	L150 Q154	L150-R152 HydrophobicContact CD2-CG 4.36Å; L150-R152 PolarHBondContact O-N 2.82Å; R152-Q154 PolarHBondContact O-N 3.13Å
153	Q	25.8	Very low	25.8	Very low	170 Å²	170	151.9 Å²	151.9	79%	0.794	79%	0.789	S	S	*	*			trans	-62.1	125.6	161.5	-70.2	-168.8	-2.5	0	0	109.2	E151 A155	E151-Q153 VanDerWaalsContact C-N 3.31Å; E151-Q153 PolarHBondContact O-N 3.07Å; Q153-A155 PolarHBondContact O-N 3.31Å
154	Q	26.5	Very low	25.9	Very low	198 Å²	198	153.8 Å²	153.8	93%	0.925	79%	0.789	S	S	*	*			trans	-73.4	117.8	169	-69.2	173.5	-25.9	0	0	108.4	R152	R152-Q154 PolarHBondContact O-N 3.13Å
155	A	22.1	Very low	25.8	Very low	96 Å²	96	150.9 Å²	150.9	79%	0.793	78%	0.782	S	S	*	*			trans	-107.7	127.8	162.2	0	0	0	0	0	108.1	Q153	Q153-A155 PolarHBondContact O-N 3.31Å
156	N	23.6	Very low	25.9	Very low	150 Å²	150	147.9 Å²	147.9	80%	0.802	78%	0.775	S	S	*	*			trans	-74.1	165.5	-177.4	-160.8	5.7	0	0	0	111.6	Q158	N156-Q158 PolarHBondContact O-N 3.47Å
157	Q	30.1	Very low	25.9	Very low	168 Å²	168	148.5 Å²	148.5	79%	0.785	78%	0.776	S	S	*	*			trans	-65	128.2	-175.3	-57.2	168.4	59.2	0	0	112.2
158	Q	27.7	Very low	26.2	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	77%	0.771	S	S	*	*				162.9	102.9	123.8	-88	173.7	23.2	0	0	112	N156	N156-Q158 PolarHBondContact O-N 3.47Å
159	T	22.9	Very low	26.4	Very low	148 Å²	148	151.6 Å²	151.6	91%	0.908	77%	0.769	S	S	*	*				179.2	137.5	129.9	23.2	0	0	0	0	110.9
160	L	26	Very low	26.6	Very low	167 Å²	167	153.2 Å²	153.2	87%	0.874	77%	0.774	S	S	*	*			trans	-144.5	163.8	176.5	-91.8	168.6	0	0	0	107.3
161	P	36.2	Very low	26.6	Very low	99 Å²	99	153.4 Å²	153.4	64%	0.643	77%	0.774	S	S	*	*			cis	-128.2	170.3	-5.5	39	-24.4	0	0	0	114.4
162	K	24.8	Very low	26.7	Very low	202 Å²	202	151 Å²	151	88%	0.878	77%	0.773	S	S	*	*			trans	-129.5	118.7	133.4	-80.9	-169.8	175.9	179.9	0	108.1	I164	K162-I164 PolarHBondContact O-N 2.86Å
163	E	23.9	Very low	26.6	Very low	146 Å²	146	146.1 Å²	146.1	68%	0.682	77%	0.772	S	S	*	*			trans	-70.4	108	-179.8	-63.9	-173.7	152	0	0	110.8	K165	E163-K165 HydrophobicContact CB-CG 4.29Å; E163-K165 PolarHBondContact O-N 2.99Å; E163-K165 VanDerWaalsContact O-N 3.16Å; E163-K165 WeakPolarHBondContact OE2-CE 3.41Å; E163-K165 IonicContact OE2-NZ 3.44Å
164	I	26.5	Very low	26.5	Very low	152 Å²	152	149.9 Å²	149.9	78%	0.779	78%	0.779	S	S	*	*			trans	-78.7	94.9	161.4	-59	178.5	0	0	0	106.8	K162 V166	K162-I164 PolarHBondContact O-N 2.86Å; I164-V166 PolarHBondContact O-N 2.91Å
165	K	27.3	Very low	26.3	Very low	157 Å²	157	149.4 Å²	149.4	68%	0.683	78%	0.777	S	S	*	*			trans	-69.2	101.3	178	-69	-172.4	177.1	-177	0	110.2	E163 T167	E163-K165 HydrophobicContact CB-CG 4.29Å; E163-K165 PolarHBondContact O-N 2.99Å; E163-K165 VanDerWaalsContact O-N 3.16Å; E163-K165 WeakPolarHBondContact OE2-CE 3.41Å; E163-K165 IonicContact OE2-NZ 3.44Å; K165-T167 PolarHBondContact O-N 3.24Å
166	V	27.1	Very low	26.5	Very low	105 Å²	105	154.6 Å²	154.6	64%	0.636	78%	0.781	S	S	*	*			trans	-79.7	113.4	170.2	179.7	0	0	0	0	108.5	I164	I164-V166 PolarHBondContact O-N 2.91Å
167	T	27.3	Very low	26.4	Very low	109 Å²	109	150.6 Å²	150.6	67%	0.669	78%	0.776	S	S	*	*			trans	-96.3	93.9	172	54	0	0	0	0	109.9	K165	K165-T167 PolarHBondContact O-N 3.24Å
168	E	29.3	Very low	26.3	Very low	161 Å²	161	148.1 Å²	148.1	75%	0.752	77%	0.774	S	S	*	*			trans	-66.4	131.6	160.5	-70.2	-168.3	136.2	0	0	109	T170	E168-T170 PolarHBondContact O-N 3.41Å
169	K	29.9	Very low	26.1	Very low	160 Å²	160	146.8 Å²	146.8	70%	0.696	78%	0.777	S	S	*	*			trans	-81.5	95.7	172.7	-76	167.8	179.9	144.8	0	109	I171 D447	K169-I171 PolarHBondContact O-N 2.84Å; K169-D447 IonicContact NZ-OD2 3.79Å; K169-D447 PolarHBondContact NZ-OD2 2.85Å
170	T	28.2	Very low	26.1	Very low	134 Å²	134	146.6 Å²	146.6	82%	0.822	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.5	122.4	166	-47.7	0	0	0	0	109.1	E168	E168-T170 PolarHBondContact O-N 3.41Å
171	I	26.8	Very low	25.9	Very low	147 Å²	147	146.8 Å²	146.8	75%	0.754	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-75.2	132.9	172.4	-59.9	175.4	0	0	0	107.7	K169 S173	K169-I171 PolarHBondContact O-N 2.84Å; I171-S173 PolarHBondContact O-N 3.05Å
172	P	23.3	Very low	25.3	Very low	110 Å²	110	149.5 Å²	149.5	71%	0.714	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-60.2	134.6	179.5	-25	34.7	0	0	0	112.7
173	S	23.7	Very low	25.2	Very low	114 Å²	114	149 Å²	149	80%	0.797	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69.1	136.2	158.8	-174.2	0	0	0	0	108.7	I171 E175	I171-S173 PolarHBondContact O-N 3.05Å; S173-E175 PolarHBondContact O-N 3.39Å
174	W	22.6	Very low	25.2	Very low	248 Å²	248	145.8 Å²	145.8	94%	0.939	78%	0.781	S	S	*	*			trans	-76.8	107.2	172.5	-78.8	-38.7	0	0	0	110.5
175	E	22	Very low	25.1	Very low	188 Å²	188	148.5 Å²	148.5	88%	0.879	79%	0.787	S	S	*	*			trans	-62.5	136.4	162	-62.2	-175.9	138.8	0	0	110.2	S173	S173-E175 PolarHBondContact O-N 3.39Å
176	K	26.3	Very low	25	Very low	206 Å²	206	146.4 Å²	146.4	90%	0.896	79%	0.793	S	S	*	*			trans	-118.9	119.4	153.6	-84.4	-171.6	172.2	-178.1	0	108.1
177	G	22.1	Very low	24.7	Very low	66 Å²	66	148.1 Å²	148.1	68%	0.68	80%	0.803	S	S	*	*			trans	-67.6	172.5	-179.8	0	0	0	0	0	113.8
178	P	28.3	Very low	24.6	Very low	116 Å²	116	150.3 Å²	150.3	75%	0.753	81%	0.81	S	S	*	*			trans	-82.9	155.9	-164.5	33.4	-36.9	0	0	0	113.9
179	V	23.6	Very low	24.4	Very low	147 Å²	147	149 Å²	149	89%	0.891	81%	0.813	S	S	*	*			trans	-127.2	113.1	154.9	-179.8	0	0	0	0	107.2
180	N	22.4	Very low	24.1	Very low	145 Å²	145	146.6 Å²	146.6	78%	0.775	82%	0.816	S	S	*	*			trans	-81.6	141	173.5	-63.4	-13.5	0	0	0	109.5
181	N	22.6	Very low	23.9	Very low	170 Å²	170	145.8 Å²	145.8	91%	0.909	82%	0.816	S	S	*	*			trans	-150.1	159.6	138.6	-147.3	-3.5	0	0	0	110.6
182	E	22.5	Very low	23.9	Very low	156 Å²	156	145.9 Å²	145.9	73%	0.729	82%	0.818	S	S	*	*			trans	-124.2	158.8	-154.8	-143.6	-176.7	-162.1	0	0	113.7
183	F	23.5	Very low	24	Very low	192 Å²	192	148.2 Å²	148.2	84%	0.842	82%	0.824	S	S	*	*			trans	60	135.4	169.7	-77.2	-86.3	0	0	0	120.3
184	G	23	Very low	23.9	Very low	78 Å²	78	148 Å²	148	80%	0.804	82%	0.817	S	S	*	*			trans	172.8	109.2	166	0	0	0	0	0	113.9
185	K	26.1	Very low	23.9	Very low	209 Å²	209	143.1 Å²	143.1	91%	0.909	82%	0.815	S	S	*	*			trans	-78.1	157.2	-175.8	-70.8	171.1	178.8	169.9	0	113.5
186	S	23.6	Very low	24.1	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	81%	0.814	S	S	*	*			trans	-65.3	144.4	174.2	55.9	0	0	0	0	115.3
187	V	22	Very low	23.9	Very low	141 Å²	141	141 Å²	141	86%	0.855	81%	0.809	S	S	*	*			trans	-142.9	144.1	154	-175.2	0	0	0	0	109.7
188	N	25.3	Very low	24.1	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	82%	0.817	S	S	*	*			trans	-82.6	137	171.5	-96.2	-19.1	0	0	0	111.6
189	V	24.6	Very low	23.9	Very low	135 Å²	135	143.5 Å²	143.5	82%	0.818	82%	0.815	S	S	*	*			trans	-141.2	128.7	149.1	-178.5	0	0	0	0	109.2
190	S	23.4	Very low	24.6	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	81%	0.808	S	S	*	*			trans	-102.6	140.8	167.7	-53.7	0	0	0	0	109.9
191	S	24.8	Very low	24.7	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	82%	0.815	S	S	*	*			trans	-159.9	156.3	158.8	-82.8	0	0	0	0	110.4
192	N	25.2	Very low	24.8	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	81%	0.81	S	S	*	*			trans	-115	-167.8	-166.5	-62.4	-54.2	0	0	0	112.2
193	L	25.8	Very low	24.8	Very low	160 Å²	160	143.2 Å²	143.2	84%	0.838	81%	0.813	S	S	*	*			trans	78.3	141.7	167.7	-90.3	68.8	0	0	0	115.3
194	V	21.6	Very low	24.9	Very low	108 Å²	108	138.6 Å²	138.6	66%	0.655	81%	0.805	S	S	*	*			cis	-140.5	143.4	1.7	-173.8	0	0	0	0	110.6	Q196	V194-Q196 HydrophobicContact CG1-CG 4.44Å
195	T	22.6	Very low	24.9	Very low	147 Å²	147	140.9 Å²	140.9	90%	0.902	80%	0.803	S	S	*	*			trans	-141.2	154.5	140.9	-31.4	0	0	0	0	109
196	Q	26.9	Very low	25.1	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	80%	0.803	S	S	*	*			trans	-95.6	167.1	-165.2	-68.3	169.4	-24.9	0	0	114.6	V194	V194-Q196 HydrophobicContact CG1-CG 4.44Å
197	E	22.7	Very low	25.2	Very low	169 Å²	169	145.4 Å²	145.4	79%	0.79	80%	0.803	S	S	*	*			trans	-73.9	176.3	173.6	-55.8	-172.2	150.4	0	0	113
198	P	26.4	Very low	25.4	Very low	132 Å²	132	144.8 Å²	144.8	86%	0.857	81%	0.805	S	S	*	*				-125.1	162.7	107.1	37	-34.2	0	0	0	114.6
199	S	24.1	Very low	25.6	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	79%	0.791	S	S	*	*			trans	-94.8	174.3	-168.8	70.7	0	0	0	0	114.2
200	P	38.4	Very low	25.8	Very low	114 Å²	114	145.4 Å²	145.4	74%	0.74	79%	0.793	S	S	*	*			trans	-104.1	176.8	-163.9	41	-36.4	0	0	0	115.2
201	E	22.7	Very low	26.1	Very low	196 Å²	196	148.6 Å²	148.6	92%	0.916	80%	0.796	S	S	*	*			trans	-109	150.2	156.5	-66.3	-169	140.6	0	0	110.7
202	E	25.8	Very low	26.2	Very low	173 Å²	173	149.9 Å²	149.9	81%	0.808	79%	0.794	S	S	*	*			trans	-92.5	170.2	-176.4	-48.7	-166.9	133.7	0	0	112.5
203	T	22.3	Very low	26.5	Very low	129 Å²	129	147.3 Å²	147.3	79%	0.791	79%	0.787	S	S	*	*				-166.8	128.7	86.2	23	0	0	0	0	115.7
204	S	25.1	Very low	26.7	Very low	96 Å²	96	146.1 Å²	146.1	67%	0.671	78%	0.782	S	S	*	*			trans	78.8	119.5	137.3	82.1	0	0	0	0	121.9
205	T	23.8	Very low	27.5	Very low	126 Å²	126	145.6 Å²	145.6	77%	0.773	78%	0.781	S	S	*	*			trans	53.8	131.9	142.7	23.4	0	0	0	0	120.6
206	K	30.3	Very low	28.4	Very low	209 Å²	209	145 Å²	145	91%	0.909	78%	0.777	S	S	*	*			cis	-140.1	159.4	44.9	-75.7	178.4	179	167.7	0	115.5
207	R	25.8	Very low	29	Very low	208 Å²	208	144.8 Å²	144.8	79%	0.785	77%	0.773	S	S	*	*			trans	-98	135.5	-171.5	174.2	-166.4	-167.8	-168.6	6.5	111.7	I209	R207-I209 HydrophobicContact CG-CD1 4.14Å; R207-I209 HydrophobicContact CG-CG1 4.14Å; R207-I209 VanDerWaalsContact NE-CD1 3.3Å
208	S	25.3	Very low	30	Very low	128 Å²	128	146.2 Å²	146.2	90%	0.895	78%	0.776	S	S	*	*			trans	-140.3	147.4	154.6	-93.9	0	0	0	0	109.4
209	I	31	Very low	30.8	Very low	107 Å²	107	145.3 Å²	145.3	55%	0.549	76%	0.761	S	S	.	*			trans	-132.7	139	-164.5	-77.8	-179.3	0	0	0	111.2	R207	R207-I209 HydrophobicContact CG-CD1 4.14Å; R207-I209 HydrophobicContact CG-CG1 4.14Å; R207-I209 VanDerWaalsContact NE-CD1 3.3Å
210	K	27.9	Very low	32	Very low	195 Å²	195	149.3 Å²	149.3	85%	0.848	77%	0.765	S	S	*	*			trans	66.4	158	171.8	-74.1	169.1	-177.9	179.8	0	114.3
211	Q	29.5	Very low	32.8	Very low	175 Å²	175	147 Å²	147	82%	0.818	75%	0.752	S	S	*	*			cis	-117.8	157.5	7.5	-69	178.3	-0.8	0	0	113
212	N	27.4	Very low	34.9	Very low	144 Å²	144	138.4 Å²	138.4	77%	0.77	71%	0.713	S	S	*	*			trans	-95.5	124.7	165.3	176.6	9.1	0	0	0	108.7
213	S	31.6	Very low	37	Very low	95 Å²	95	136.9 Å²	136.9	66%	0.664	70%	0.704	S	S	*	*			trans	-147.5	78.5	176.8	46.6	0	0	0	0	111.6	P215	S213-P215 VanDerWaalsContact O-CD 3.25Å; S213-P215 WeakPolarHBondContact O-CD 3.44Å
214	N	29.6	Very low	39.5	Very low	136 Å²	136	130.8 Å²	130.8	73%	0.727	67%	0.667	S	S	*	*			trans	-55.5	124.9	169.4	-89.1	-31.1	0	0	0	112.3
215	P	37.9	Very low	41.5	Very low	96 Å²	96	133.9 Å²	133.9	62%	0.623	68%	0.676	S	S	*	*			trans	-102.2	101.6	156.4	26.9	-9.4	0	0	0	108.7	S213 K217	S213-P215 VanDerWaalsContact O-CD 3.25Å; S213-P215 WeakPolarHBondContact O-CD 3.44Å; P215-K217 PolarHBondContact O-N 3.23Å
216	V	41.7	Very low	43.5	Very low	135 Å²	135	133.5 Å²	133.5	82%	0.818	67%	0.665	S	S	*	*			trans	-65.5	95	178.4	179.4	0	0	0	0	110.2
217	K	39.2	Very low	45.5	Very low	176 Å²	176	125.8 Å²	125.8	77%	0.765	64%	0.637	S	S	*	*			trans	-95.5	115.4	170.4	-70.6	-177.3	178.8	177.6	0	109.1	P215 E219	P215-K217 PolarHBondContact O-N 3.23Å; K217-E219 PolarHBondContact O-N 3.4Å
218	K	43.8	Very low	47.5	Very low	198 Å²	198	118.6 Å²	118.6	86%	0.861	63%	0.627	S	S	*	*			trans	-66.1	99.4	168.9	-72.5	-179.9	176.8	177.4	0	108.9	K220	K218-K220 PolarHBondContact O-N 2.86Å; K218-K220 VanDerWaalsContact O-N 3.16Å
219	E	43.2	Very low	49.8	Very low	114 Å²	114	118.1 Å²	118.1	53%	0.533	61%	0.609	S	S	.	*			trans	-63.7	114.5	170.2	-68	-158.4	146.3	0	0	109.8	K217 S221 S232 Y233	K217-E219 PolarHBondContact O-N 3.4Å; E219-S221 PolarHBondContact O-N 3.27Å; E219-S232 WeakPolarHBondContact OE2-CB 3.22Å; E219-Y233 VanDerWaalsContact OE1-CE1 3.29Å; E219-Y233 WeakPolarHBondContact OE1-CE1 3.4Å; E219-Y233 PolarHBondContact OE1-OH 2.98Å
220	K	50.3	Low	51.5	Low	185 Å²	185	115.9 Å²	115.9	80%	0.804	61%	0.607	S	S	*	*			trans	-72.4	93.6	169.9	-76.8	-174.8	175.2	-178.7	0	108.4	K218 C222	K218-K220 PolarHBondContact O-N 2.86Å; K218-K220 VanDerWaalsContact O-N 3.16Å; K220-C222 PolarHBondContact O-N 3.08Å; K220-C222 PolarHBondContact O-SG 3.31Å; K220-C222 VanDerWaalsContact O-SG 3.34Å
221	S	55.5	Low	54	Low	65 Å²	65	108.8 Å²	108.8	46%	0.455	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-62.4	121.4	173.3	-178	0	0	0	0	110.6	E219 F231	E219-S221 PolarHBondContact O-N 3.27Å; S221-F231 CarbonylContact C-O 3.19Å; S221-F231 WeakPolarHBondContact CA-O 3.37Å; S221-F231 WeakPolarHBondContact CB-O 3.46Å; S221-F231 PolarHBondContact OG-O 3.35Å
222	C	66.4	Low	56.1	Low	17 Å²	17	103.1 Å²	103.1	12%	0.115	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.9	123	-179.9	-53.2	0	0	0	0	109.1	K220 F231 C234 L237	K220-C222 PolarHBondContact O-N 3.08Å; K220-C222 PolarHBondContact O-SG 3.31Å; K220-C222 VanDerWaalsContact O-SG 3.34Å; C222-F231 PolarHBondContact N-O 2.96Å; C222-F231 PolarHBondContact O-N 2.96Å; C222-C234 HydrophobicContact CB-CB 4.01Å; C222-C234 WeakPolarHBondContact CB-SG 3.23Å; C222-C234 WeakPolarHBondContact SG-CA 3.27Å; C222-C234 WeakPolarHBondContact SG-CB 3.43Å; C222-C234 PolarHBondContact SG-N 3.12Å; C222-C234 CovalentContact SG-SG 2.04Å; C222-C234 PolarHBondContact SG-SG 3.15Å; C222-L237 HydrophobicContact CB-CB 4.09Å; C222-L237 HydrophobicContact CB-CD2 3.6Å; C222-L237 HydrophobicContact CB-CG 4.49Å
223	K	68.6	Low	58.3	Low	141 Å²	141	102.5 Å²	102.5	61%	0.613	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	145	-177.4	-61.8	-174.4	-179.1	-178.8	0	111.8	K229 A230 L237	K223-K229 CarbonylContact C-O 3.59Å; K223-K229 WeakPolarHBondContact CA-O 3.45Å; K223-A230 HydrophobicContact CG-CB 4.06Å; K223-L237 WeakPolarHBondContact O-CD2 3.45Å
224	C	74.8	Confident	60.1	Low	1 Å²	1	101.2 Å²	101.2	1%	0.007	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-84.7	121.3	172.5	-175.5	0	0	0	0	110.4	E226 C227 G228 K229 F231 L237	C224-E226 VanDerWaalsContact C-N 3.28Å; C224-E226 PolarHBondContact O-N 3.21Å; C224-C227 VanDerWaalsContact SG-SG 3.66Å; C224-G228 VanDerWaalsContact O-CA 3.24Å; C224-G228 WeakPolarHBondContact O-CA 3.27Å; C224-G228 PolarHBondContact O-N 3.45Å; C224-K229 PolarHBondContact N-O 3.17Å; C224-F231 HydrophobicContact CB-CE2 4.37Å; C224-L237 HydrophobicContact CB-CD1 3.5Å; C224-L237 VanDerWaalsContact CB-CD1 3.5Å
225	N	68.6	Low	62.1	Low	161 Å²	161	98.9 Å²	98.9	86%	0.861	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.4	-178.9	-64.7	-10.7	0	0	0	112.9
226	E	64.3	Low	63.7	Low	118 Å²	118	95 Å²	95	55%	0.551	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-22.1	-175.4	-62.3	166.5	123.6	0	0	113.3	C224 H244	C224-E226 VanDerWaalsContact C-N 3.28Å; C224-E226 PolarHBondContact O-N 3.21Å; E226-H244 IonicContact OE2-CD2 3.85Å; E226-H244 PolarHBondContact OE2-CD2 2.83Å; E226-H244 IonicContact OE2-CG 3.77Å
227	C	72.9	Confident	65.2	Low	46 Å²	46	89.3 Å²	89.3	31%	0.311	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.1	9.4	-177.1	74.5	0	0	0	0	115.2	C224 K229 H240	C224-C227 VanDerWaalsContact SG-SG 3.66Å; C227-K229 PolarHBondContact O-N 2.85Å; C227-H240 PolarHBondContact SG-NE2 3.36Å
228	G	69.1	Low	66.7	Low	57 Å²	57	85.2 Å²	85.2	59%	0.588	46%	0.455	S	S	*	.			trans	71.4	-9.9	176.5	0	0	0	0	0	116.5	C224 A230	C224-G228 VanDerWaalsContact O-CA 3.24Å; C224-G228 WeakPolarHBondContact O-CA 3.27Å; C224-G228 PolarHBondContact O-N 3.45Å; G228-A230 PolarHBondContact O-N 3.23Å
229	K	71.8	Confident	68	Low	118 Å²	118	81.6 Å²	81.6	51%	0.513	44%	0.436	S	S	.	.			trans	-63.2	129.3	-173.5	-70.2	178.3	-175.6	172.1	0	112.2	K223 C224 C227 F231	K223-K229 CarbonylContact C-O 3.59Å; K223-K229 WeakPolarHBondContact CA-O 3.45Å; C224-K229 PolarHBondContact N-O 3.17Å; C227-K229 PolarHBondContact O-N 2.85Å; K229-F231 HydrophobicContact CB-CE2 3.73Å; K229-F231 HydrophobicContact CB-CZ 3.93Å; K229-F231 WeakPolarHBondContact O-CD2 3.23Å; K229-F231 WeakPolarHBondContact O-CE2 3.34Å
230	A	67.9	Low	69.4	Low	61 Å²	61	77.4 Å²	77.4	50%	0.504	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	139.7	177.2	0	0	0	0	0	111.2	K223 G228	K223-A230 HydrophobicContact CG-CB 4.06Å; G228-A230 PolarHBondContact O-N 3.23Å
231	F	79.7	Confident	70.3	Confident	46 Å²	46	72 Å²	72	20%	0.202	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.8	177.2	-61.1	-89.1	0	0	0	109.4	S221 C222 C224 K229 Y233 A236 L237 H240	S221-F231 CarbonylContact C-O 3.19Å; S221-F231 WeakPolarHBondContact CA-O 3.37Å; S221-F231 WeakPolarHBondContact CB-O 3.46Å; S221-F231 PolarHBondContact OG-O 3.35Å; C222-F231 PolarHBondContact N-O 2.96Å; C222-F231 PolarHBondContact O-N 2.96Å; C224-F231 HydrophobicContact CB-CE2 4.37Å; K229-F231 HydrophobicContact CB-CE2 3.73Å; K229-F231 HydrophobicContact CB-CZ 3.93Å; K229-F231 WeakPolarHBondContact O-CD2 3.23Å; K229-F231 WeakPolarHBondContact O-CE2 3.34Å; F231-Y233 VanDerWaalsContact C-N 3.28Å; F231-Y233 PolarHBondContact O-N 3.2Å; F231-A236 HydrophobicContact CB-CB 4.19Å; F231-A236 HydrophobicContact CD1-CB 3.93Å; F231-A236 HydrophobicContact CG-CB 4.35Å; F231-L237 HydrophobicContact CB-CB 4.36Å; F231-L237 HydrophobicContact CD2-CB 3.93Å; F231-L237 HydrophobicContact CD2-CD1 3.91Å; F231-L237 HydrophobicContact CE2-CD1 4.05Å; F231-L237 HydrophobicContact CG-CB 4.27Å; F231-H240 HydrophobicContact CE1-CB 4.11Å; F231-H240 HydrophobicContact CE2-CB 4.09Å; F231-H240 AromaticContact CE2-CD2 3.45Å; F231-H240 VanDerWaalsContact CE2-CD2 3.45Å; F231-H240 WeakPolarHBondContact CE2-CD2 3.46Å; F231-H240 HydrophobicContact CZ-CB 3.61Å; F231-H240 AromaticContact CZ-CD2 3.26Å; F231-H240 WeakPolarHBondContact CZ-CD2 3.42Å; F231-H240 AromaticContact CZ-CG 3.53Å
232	S	73.9	Confident	71.3	Confident	56 Å²	56	71.6 Å²	71.6	39%	0.392	38%	0.382	S	S	.	.	S	Bend	trans	-66.9	-30.2	173.4	44.9	0	0	0	0	112.5	E219	E219-S232 WeakPolarHBondContact OE2-CB 3.22Å
233	Y	73.9	Confident	71.2	Confident	130 Å²	130	74.8 Å²	74.8	51%	0.51	40%	0.401	S	S	.	.	S	Bend	trans	-128.3	137.2	-177.2	-48.6	-65.2	0	0	0	112	E219 F231 S235 A236 L237	E219-Y233 VanDerWaalsContact OE1-CE1 3.29Å; E219-Y233 WeakPolarHBondContact OE1-CE1 3.4Å; E219-Y233 PolarHBondContact OE1-OH 2.98Å; F231-Y233 VanDerWaalsContact C-N 3.28Å; F231-Y233 PolarHBondContact O-N 3.2Å; Y233-S235 PolarHBondContact O-N 3.47Å; Y233-A236 WeakPolarHBondContact O-CB 3.3Å; Y233-A236 PolarHBondContact O-N 3.33Å; Y233-L237 PolarHBondContact O-N 2.82Å
234	C	69.3	Low	71.1	Confident	68 Å²	68	72.7 Å²	72.7	46%	0.459	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-26.4	175.4	-88.6	0	0	0	0	113.2	C222 A236 L237 I238	C222-C234 HydrophobicContact CB-CB 4.01Å; C222-C234 WeakPolarHBondContact CB-SG 3.23Å; C222-C234 WeakPolarHBondContact SG-CA 3.27Å; C222-C234 WeakPolarHBondContact SG-CB 3.43Å; C222-C234 PolarHBondContact SG-N 3.12Å; C222-C234 CovalentContact SG-SG 2.04Å; C222-C234 PolarHBondContact SG-SG 3.15Å; C234-A236 VanDerWaalsContact C-N 3.32Å; C234-A236 PolarHBondContact O-N 3.16Å; C234-L237 WeakPolarHBondContact O-CB 3.49Å; C234-L237 PolarHBondContact O-N 3.2Å; C234-I238 VanDerWaalsContact O-CG1 3.31Å; C234-I238 WeakPolarHBondContact O-CG1 3.28Å; C234-I238 PolarHBondContact O-N 3.39Å
235	S	70.8	Confident	70.7	Confident	88 Å²	88	76.4 Å²	76.4	62%	0.615	42%	0.416	S	S	*	.	H	α-helix	trans	-64	-35.5	171.5	53.7	0	0	0	0	112.8	Y233 R239	Y233-S235 PolarHBondContact O-N 3.47Å; S235-R239 WeakPolarHBondContact O-CB 3.34Å; S235-R239 PolarHBondContact O-N 3.41Å; S235-R239 VanDerWaalsContact O-N 3.09Å
236	A	71.4	Confident	70.6	Confident	13 Å²	13	71 Å²	71	11%	0.107	40%	0.399	C	S	.	.	H	α-helix	trans	-73.5	-33.6	174	0	0	0	0	0	112	F231 Y233 C234 H240	F231-A236 HydrophobicContact CB-CB 4.19Å; F231-A236 HydrophobicContact CD1-CB 3.93Å; F231-A236 HydrophobicContact CG-CB 4.35Å; Y233-A236 WeakPolarHBondContact O-CB 3.3Å; Y233-A236 PolarHBondContact O-N 3.33Å; C234-A236 VanDerWaalsContact C-N 3.32Å; C234-A236 PolarHBondContact O-N 3.16Å; A236-H240 PolarHBondContact O-N 3.01Å; A236-H240 VanDerWaalsContact O-N 3.07Å
237	L	74.6	Confident	70.8	Confident	16 Å²	16	70.2 Å²	70.2	8%	0.084	40%	0.395	C	S	.	.	H	α-helix	trans	-63.8	-50.5	170.4	172.1	60.5	0	0	0	111.8	C222 K223 C224 F231 Y233 C234 R239 H240 Q241	C222-L237 HydrophobicContact CB-CB 4.09Å; C222-L237 HydrophobicContact CB-CD2 3.6Å; C222-L237 HydrophobicContact CB-CG 4.49Å; K223-L237 WeakPolarHBondContact O-CD2 3.45Å; C224-L237 HydrophobicContact CB-CD1 3.5Å; C224-L237 VanDerWaalsContact CB-CD1 3.5Å; F231-L237 HydrophobicContact CB-CB 4.36Å; F231-L237 HydrophobicContact CD2-CB 3.93Å; F231-L237 HydrophobicContact CD2-CD1 3.91Å; F231-L237 HydrophobicContact CE2-CD1 4.05Å; F231-L237 HydrophobicContact CG-CB 4.27Å; Y233-L237 PolarHBondContact O-N 2.82Å; C234-L237 WeakPolarHBondContact O-CB 3.49Å; C234-L237 PolarHBondContact O-N 3.2Å; L237-R239 VanDerWaalsContact C-N 3.29Å; L237-R239 PolarHBondContact O-N 2.87Å; L237-H240 CarbonylContact O-C 3.55Å; L237-H240 WeakPolarHBondContact O-CA 3.3Å; L237-H240 WeakPolarHBondContact O-CB 3.39Å; L237-H240 PolarHBondContact O-N 3.06Å; L237-Q241 HydrophobicContact CD1-CG 4.03Å; L237-Q241 HydrophobicContact CG-CG 4.41Å; L237-Q241 PolarHBondContact O-N 3.34Å
238	I	69.4	Low	70.9	Confident	90 Å²	90	74.1 Å²	74.1	46%	0.462	41%	0.406	S	S	.	.	H	α-helix	trans	-58.7	-43.3	178.5	-69.2	160.8	0	0	0	110.5	C234 H240 Q241 R242	C234-I238 VanDerWaalsContact O-CG1 3.31Å; C234-I238 WeakPolarHBondContact O-CG1 3.28Å; C234-I238 PolarHBondContact O-N 3.39Å; I238-H240 PolarHBondContact O-N 3.17Å; I238-Q241 PolarHBondContact O-N 3.11Å; I238-R242 PolarHBondContact O-N 3Å
239	R	71.7	Confident	71.2	Confident	123 Å²	123	74.7 Å²	74.7	46%	0.464	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-30.6	172.9	-177	178.6	64.2	-171.8	-2.4	112.9	S235 L237	S235-R239 WeakPolarHBondContact O-CB 3.34Å; S235-R239 PolarHBondContact O-N 3.41Å; S235-R239 VanDerWaalsContact O-N 3.09Å; L237-R239 VanDerWaalsContact C-N 3.29Å; L237-R239 PolarHBondContact O-N 2.87Å
240	H	73.3	Confident	71.4	Confident	25 Å²	25	73 Å²	73	12%	0.116	39%	0.391	C	S	.	.	H	α-helix	trans	-80.1	-39	176	178.8	35.9	0	0	0	112.9	C227 F231 A236 L237 I238 R242 T243	C227-H240 PolarHBondContact SG-NE2 3.36Å; F231-H240 HydrophobicContact CE1-CB 4.11Å; F231-H240 HydrophobicContact CE2-CB 4.09Å; F231-H240 AromaticContact CE2-CD2 3.45Å; F231-H240 VanDerWaalsContact CE2-CD2 3.45Å; F231-H240 WeakPolarHBondContact CE2-CD2 3.46Å; F231-H240 HydrophobicContact CZ-CB 3.61Å; F231-H240 AromaticContact CZ-CD2 3.26Å; F231-H240 WeakPolarHBondContact CZ-CD2 3.42Å; F231-H240 AromaticContact CZ-CG 3.53Å; A236-H240 PolarHBondContact O-N 3.01Å; A236-H240 VanDerWaalsContact O-N 3.07Å; L237-H240 CarbonylContact O-C 3.55Å; L237-H240 WeakPolarHBondContact O-CA 3.3Å; L237-H240 WeakPolarHBondContact O-CB 3.39Å; L237-H240 PolarHBondContact O-N 3.06Å; I238-H240 PolarHBondContact O-N 3.17Å; H240-R242 PolarHBondContact O-N 3.48Å; H240-T243 PolarHBondContact CE1-OG1 3.07Å; H240-T243 VanDerWaalsContact CE1-OG1 3.3Å; H240-T243 PolarHBondContact ND1-OG1 2.79Å; H240-T243 WeakPolarHBondContact O-CB 3.4Å; H240-T243 PolarHBondContact O-N 2.78Å; H240-T243 PolarHBondContact O-OG1 3Å
241	Q	68.3	Low	71.6	Confident	71 Å²	71	77.2 Å²	77.2	33%	0.332	40%	0.398	S	S	.	.	H	α-helix	trans	-57.9	-31.9	178.1	-70.9	173.1	-74.4	0	0	112.1	L237 I238 T243 H244 T245	L237-Q241 HydrophobicContact CD1-CG 4.03Å; L237-Q241 HydrophobicContact CG-CG 4.41Å; L237-Q241 PolarHBondContact O-N 3.34Å; I238-Q241 PolarHBondContact O-N 3.11Å; Q241-T243 PolarHBondContact O-N 3.37Å; Q241-H244 PolarHBondContact O-N 3.15Å; Q241-T245 PolarHBondContact O-N 3.06Å; Q241-T245 PolarHBondContact O-OG1 3.18Å
242	R	76.6	Confident	71.5	Confident	58 Å²	58	75.1 Å²	75.1	22%	0.219	39%	0.389	C	S	.	.	H	α-helix	trans	-57.8	-17.9	169.9	-63.5	-174	179.2	158.3	4.4	115.2	I238 H240 G246 E247 S260	I238-R242 PolarHBondContact O-N 3Å; H240-R242 PolarHBondContact O-N 3.48Å; R242-G246 WeakPolarHBondContact O-CA 3.41Å; R242-G246 PolarHBondContact O-N 2.92Å; R242-E247 HydrophobicContact CB-CB 4.2Å; R242-E247 HydrophobicContact CG-CB 3.94Å; R242-E247 IonicContact NE-OE2 2.68Å; R242-S260 PolarHBondContact NH1-O 3.01Å
243	T	64.7	Low	71.3	Confident	83 Å²	83	79.7 Å²	79.7	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-82.3	-15	173.1	68.5	0	0	0	0	113.4	H240 Q241	H240-T243 PolarHBondContact CE1-OG1 3.07Å; H240-T243 VanDerWaalsContact CE1-OG1 3.3Å; H240-T243 PolarHBondContact ND1-OG1 2.79Å; H240-T243 WeakPolarHBondContact O-CB 3.4Å; H240-T243 PolarHBondContact O-N 2.78Å; H240-T243 PolarHBondContact O-OG1 3Å; Q241-T243 PolarHBondContact O-N 3.37Å
244	H	66	Low	71	Confident	98 Å²	98	79 Å²	79	45%	0.454	41%	0.41	S	S	.	.	H	α-helix	trans	-98.1	-46	173.1	-58.8	-48.9	0	0	0	111	E226 Q241 G246	E226-H244 IonicContact OE2-CD2 3.85Å; E226-H244 PolarHBondContact OE2-CD2 2.83Å; E226-H244 IonicContact OE2-CG 3.77Å; Q241-H244 PolarHBondContact O-N 3.15Å; H244-G246 VanDerWaalsContact C-N 3.27Å; H244-G246 PolarHBondContact O-N 3.26Å
245	T	65.8	Low	71	Confident	79 Å²	79	77.9 Å²	77.9	49%	0.485	40%	0.403	S	S	.	.	H	α-helix	trans	-74.4	-13.4	177.9	65.8	0	0	0	0	114.1	Q241 E247	Q241-T245 PolarHBondContact O-N 3.06Å; Q241-T245 PolarHBondContact O-OG1 3.18Å; T245-E247 PolarHBondContact O-N 2.74Å; T245-E247 WeakPolarHBondContact OG1-CG 3.37Å
246	G	67.5	Low	70.8	Confident	48 Å²	48	82 Å²	82	50%	0.495	41%	0.412	S	S	.	.			trans	73.7	4.2	-179.2	0	0	0	0	0	115	R242 H244 K248	R242-G246 WeakPolarHBondContact O-CA 3.41Å; R242-G246 PolarHBondContact O-N 2.92Å; H244-G246 VanDerWaalsContact C-N 3.27Å; H244-G246 PolarHBondContact O-N 3.26Å; G246-K248 PolarHBondContact O-N 3.1Å
247	E	68.1	Low	70.7	Confident	100 Å²	100	87 Å²	87	47%	0.467	43%	0.431	S	S	.	.			trans	-54.4	128.2	-178.7	-84.9	176.2	-149.5	0	0	113.5	R242 T245 S260	R242-E247 HydrophobicContact CB-CB 4.2Å; R242-E247 HydrophobicContact CG-CB 3.94Å; R242-E247 IonicContact NE-OE2 2.68Å; T245-E247 PolarHBondContact O-N 2.74Å; T245-E247 WeakPolarHBondContact OG1-CG 3.37Å; E247-S260 VanDerWaalsContact O-CB 3.32Å; E247-S260 WeakPolarHBondContact O-CB 3.45Å
248	K	74.1	Confident	70.8	Confident	128 Å²	128	87.6 Å²	87.6	56%	0.557	44%	0.439	S	S	*	.			trans	-129.7	76.9	179.9	-74.3	161	167.8	-174.2	0	110.9	G246 Y250 A258 F259	G246-K248 PolarHBondContact O-N 3.1Å; K248-Y250 VanDerWaalsContact C-N 3.26Å; K248-Y250 PolarHBondContact O-N 3.24Å; K248-A258 HydrophobicContact CB-CB 3.6Å; K248-A258 HydrophobicContact CD-CB 4.23Å; K248-A258 VanDerWaalsContact CD-O 3.26Å; K248-A258 WeakPolarHBondContact CD-O 3.4Å; K248-A258 HydrophobicContact CG-CB 4.44Å; K248-A258 WeakPolarHBondContact CG-O 3.48Å; K248-F259 CarbonylContact C-O 3.53Å; K248-F259 VanDerWaalsContact CA-O 3.27Å; K248-F259 WeakPolarHBondContact CA-O 3.4Å
249	P	75.8	Confident	71.3	Confident	69 Å²	69	85.5 Å²	85.5	45%	0.448	43%	0.427	S	S	.	.			trans	-68.3	-20.7	-172.7	-21.6	35.1	0	0	0	114.7	F259	P249-F259 WeakPolarHBondContact CD-O 3.4Å
250	Y	76.6	Confident	71.5	Confident	84 Å²	84	81.6 Å²	81.6	33%	0.329	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	99.5	-171.8	-53.3	-78.8	0	0	0	109.8	K248 A258 F259 S262	K248-Y250 VanDerWaalsContact C-N 3.26Å; K248-Y250 PolarHBondContact O-N 3.24Å; Y250-A258 CarbonylContact O-C 3.53Å; Y250-A258 WeakPolarHBondContact O-CA 3.34Å; Y250-F259 WeakPolarHBondContact CD2-O 3.46Å; Y250-F259 PolarHBondContact N-O 3.46Å; Y250-F259 PolarHBondContact O-N 2.9Å; Y250-S262 VanDerWaalsContact CD2-N 3.31Å
251	K	71.6	Confident	71.6	Confident	148 Å²	148	84.6 Å²	84.6	64%	0.643	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.6	179.8	-62.2	-171.9	178.1	-175.6	0	111.9	A258 L265	K251-A258 HydrophobicContact CG-CB 3.96Å; K251-L265 WeakPolarHBondContact O-CD2 3.49Å
252	C	77.1	Confident	71.9	Confident	2 Å²	2	84 Å²	84	1%	0.014	43%	0.432	C	S	.	.			trans	-85.7	124.9	167.7	176.8	0	0	0	0	109.7	E254 E256 K257 L265	C252-E254 VanDerWaalsContact C-N 3.27Å; C252-E254 PolarHBondContact O-N 3.08Å; C252-E256 WeakPolarHBondContact O-CA 3.46Å; C252-E256 PolarHBondContact O-N 3.08Å; C252-K257 WeakPolarHBondContact CB-O 3.5Å; C252-K257 PolarHBondContact N-O 2.78Å; C252-L265 HydrophobicContact CB-CD1 3.58Å
253	N	71.2	Confident	71.9	Confident	152 Å²	152	85.9 Å²	85.9	81%	0.813	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.7	-178.8	-62.4	-9.6	0	0	0	113
254	E	68	Low	72.4	Confident	116 Å²	116	85.3 Å²	85.3	54%	0.542	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-18.8	-172.8	-63.2	157.1	139.2	0	0	113.3	C252 H272	C252-E254 VanDerWaalsContact C-N 3.27Å; C252-E254 PolarHBondContact O-N 3.08Å; E254-H272 IonicContact OE2-CD2 3.93Å; E254-H272 PolarHBondContact OE2-CD2 3.12Å; E254-H272 IonicContact OE2-CG 3.68Å
255	C	68.5	Low	73	Confident	45 Å²	45	81.6 Å²	81.6	30%	0.304	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.3	23.3	177.2	70.3	0	0	0	0	114.3	K257 H268 H272	C255-K257 PolarHBondContact O-N 3.15Å; C255-H268 PolarHBondContact SG-NE2 3.04Å; C255-H272 VanDerWaalsContact SG-CE1 3.55Å; C255-H272 PolarHBondContact SG-NE2 2.95Å; C255-H272 VanDerWaalsContact SG-NE2 3.39Å
256	E	66.3	Low	73.4	Confident	173 Å²	173	81.9 Å²	81.9	81%	0.808	42%	0.418	S	S	*	.			trans	58.8	-5.9	175.6	-53.7	-165.5	135.1	0	0	117.6	C252 A258	C252-E256 WeakPolarHBondContact O-CA 3.46Å; C252-E256 PolarHBondContact O-N 3.08Å; E256-A258 PolarHBondContact O-N 2.87Å
257	K	68.9	Low	73.7	Confident	119 Å²	119	81 Å²	81	52%	0.517	40%	0.402	S	S	.	.			trans	-58.7	127.8	-178.3	-73.2	173.1	-171.1	159.8	0	111.5	C252 C255 F259	C252-K257 WeakPolarHBondContact CB-O 3.5Å; C252-K257 PolarHBondContact N-O 2.78Å; C255-K257 PolarHBondContact O-N 3.15Å; K257-F259 HydrophobicContact CB-CE2 3.83Å; K257-F259 HydrophobicContact CB-CZ 3.98Å; K257-F259 VanDerWaalsContact O-CE2 3.27Å; K257-F259 WeakPolarHBondContact O-CE2 3.24Å
258	A	76.4	Confident	74	Confident	29 Å²	29	77 Å²	77	24%	0.24	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.9	-174.6	0	0	0	0	0	112.3	K248 Y250 K251 E256	K248-A258 HydrophobicContact CB-CB 3.6Å; K248-A258 HydrophobicContact CD-CB 4.23Å; K248-A258 VanDerWaalsContact CD-O 3.26Å; K248-A258 WeakPolarHBondContact CD-O 3.4Å; K248-A258 HydrophobicContact CG-CB 4.44Å; K248-A258 WeakPolarHBondContact CG-O 3.48Å; Y250-A258 CarbonylContact O-C 3.53Å; Y250-A258 WeakPolarHBondContact O-CA 3.34Å; K251-A258 HydrophobicContact CG-CB 3.96Å; E256-A258 PolarHBondContact O-N 2.87Å
259	F	79.7	Confident	73.9	Confident	46 Å²	46	74.3 Å²	74.3	20%	0.202	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.5	-173	-57.5	-90.7	0	0	0	111.7	K248 P249 Y250 K257 N264 L265 H268	K248-F259 CarbonylContact C-O 3.53Å; K248-F259 VanDerWaalsContact CA-O 3.27Å; K248-F259 WeakPolarHBondContact CA-O 3.4Å; P249-F259 WeakPolarHBondContact CD-O 3.4Å; Y250-F259 WeakPolarHBondContact CD2-O 3.46Å; Y250-F259 PolarHBondContact N-O 3.46Å; Y250-F259 PolarHBondContact O-N 2.9Å; K257-F259 HydrophobicContact CB-CE2 3.83Å; K257-F259 HydrophobicContact CB-CZ 3.98Å; K257-F259 VanDerWaalsContact O-CE2 3.27Å; K257-F259 WeakPolarHBondContact O-CE2 3.24Å; F259-N264 HydrophobicContact CB-CB 4.18Å; F259-N264 HydrophobicContact CD1-CB 3.89Å; F259-N264 HydrophobicContact CG-CB 4.28Å; F259-L265 HydrophobicContact CB-CB 4.4Å; F259-L265 HydrophobicContact CD2-CB 3.92Å; F259-L265 HydrophobicContact CD2-CD1 3.91Å; F259-L265 HydrophobicContact CE2-CD1 4.04Å; F259-L265 HydrophobicContact CG-CB 4.34Å; F259-H268 HydrophobicContact CE1-CB 4.15Å; F259-H268 HydrophobicContact CE2-CB 3.91Å; F259-H268 AromaticContact CE2-CD2 3.36Å; F259-H268 WeakPolarHBondContact CE2-CD2 3.16Å; F259-H268 AromaticContact CE2-CG 3.77Å; F259-H268 HydrophobicContact CZ-CB 3.54Å; F259-H268 AromaticContact CZ-CD2 3.39Å; F259-H268 WeakPolarHBondContact CZ-CD2 3.49Å; F259-H268 AromaticContact CZ-CG 3.38Å
260	S	76.4	Confident	73.9	Confident	40 Å²	40	74 Å²	74	28%	0.28	36%	0.362	S	S	.	.	S	Bend	trans	-83.9	-10.7	179	55.4	0	0	0	0	114.1	R242 E247	R242-S260 PolarHBondContact NH1-O 3.01Å; E247-S260 VanDerWaalsContact O-CB 3.32Å; E247-S260 WeakPolarHBondContact O-CB 3.45Å
261	R	76	Confident	73.5	Confident	88 Å²	88	75 Å²	75	33%	0.332	37%	0.373	S	S	.	.	S	Bend	trans	-131.9	142.4	175.8	-69	170.3	73.2	157.8	-0	109.8	E263 N264 L265	R261-E263 IonicContact CZ-OE2 3.84Å; R261-E263 VanDerWaalsContact CZ-OE2 3.3Å; R261-E263 IonicContact NE-OE2 3.15Å; R261-E263 PolarHBondContact NE-OE2 3.4Å; R261-E263 IonicContact NH2-OE1 3.25Å; R261-E263 IonicContact NH2-OE2 3.51Å; R261-E263 PolarHBondContact NH2-OE2 2.88Å; R261-N264 HydrophobicContact CB-CB 4.37Å; R261-N264 WeakPolarHBondContact CB-OD1 3.31Å; R261-N264 WeakPolarHBondContact CD-OD1 3.44Å; R261-N264 PolarHBondContact O-N 3.49Å; R261-L265 PolarHBondContact O-N 3.13Å
262	S	74.9	Confident	73.3	Confident	58 Å²	58	71.8 Å²	71.8	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-65.1	-40.8	175.2	45.3	0	0	0	0	112.8	Y250 N264 L265 I266	Y250-S262 VanDerWaalsContact CD2-N 3.31Å; S262-N264 VanDerWaalsContact C-N 3.29Å; S262-N264 PolarHBondContact O-N 3.04Å; S262-L265 CarbonylContact O-C 3.6Å; S262-L265 WeakPolarHBondContact O-CA 3.41Å; S262-L265 WeakPolarHBondContact O-CB 3.09Å; S262-L265 PolarHBondContact O-N 3.19Å; S262-I266 WeakPolarHBondContact O-CG1 3.36Å; S262-I266 PolarHBondContact O-N 3.23Å
263	E	75.9	Confident	72.9	Confident	99 Å²	99	76.4 Å²	76.4	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-52.1	-43.3	174.2	-176.1	-177.7	177.8	0	0	113	R261 L265 I266 N267	R261-E263 IonicContact CZ-OE2 3.84Å; R261-E263 VanDerWaalsContact CZ-OE2 3.3Å; R261-E263 IonicContact NE-OE2 3.15Å; R261-E263 PolarHBondContact NE-OE2 3.4Å; R261-E263 IonicContact NH2-OE1 3.25Å; R261-E263 IonicContact NH2-OE2 3.51Å; R261-E263 PolarHBondContact NH2-OE2 2.88Å; E263-L265 VanDerWaalsContact C-N 3.34Å; E263-L265 PolarHBondContact O-N 3.06Å; E263-I266 PolarHBondContact O-N 3.28Å; E263-N267 PolarHBondContact O-N 3.09Å
264	N	75.5	Confident	72.8	Confident	71 Å²	71	71.1 Å²	71.1	38%	0.38	37%	0.37	S	S	.	.	H	α-helix	trans	-68.6	-31.7	175.6	-67.3	63	0	0	0	112.5	F259 R261 S262 H268	F259-N264 HydrophobicContact CB-CB 4.18Å; F259-N264 HydrophobicContact CD1-CB 3.89Å; F259-N264 HydrophobicContact CG-CB 4.28Å; R261-N264 HydrophobicContact CB-CB 4.37Å; R261-N264 WeakPolarHBondContact CB-OD1 3.31Å; R261-N264 WeakPolarHBondContact CD-OD1 3.44Å; R261-N264 PolarHBondContact O-N 3.49Å; S262-N264 VanDerWaalsContact C-N 3.29Å; S262-N264 PolarHBondContact O-N 3.04Å; N264-H268 VanDerWaalsContact O-CB 3.27Å; N264-H268 WeakPolarHBondContact O-CB 3.41Å; N264-H268 PolarHBondContact O-N 3.31Å; N264-H268 VanDerWaalsContact O-N 3.08Å
265	L	77.7	Confident	73	Confident	20 Å²	20	68.9 Å²	68.9	11%	0.105	36%	0.361	C	S	.	.	H	α-helix	trans	-69.5	-41.9	171.6	171.9	62.8	0	0	0	110.9	K251 C252 F259 R261 S262 E263 H268 Q269	K251-L265 WeakPolarHBondContact O-CD2 3.49Å; C252-L265 HydrophobicContact CB-CD1 3.58Å; F259-L265 HydrophobicContact CB-CB 4.4Å; F259-L265 HydrophobicContact CD2-CB 3.92Å; F259-L265 HydrophobicContact CD2-CD1 3.91Å; F259-L265 HydrophobicContact CE2-CD1 4.04Å; F259-L265 HydrophobicContact CG-CB 4.34Å; R261-L265 PolarHBondContact O-N 3.13Å; S262-L265 CarbonylContact O-C 3.6Å; S262-L265 WeakPolarHBondContact O-CA 3.41Å; S262-L265 WeakPolarHBondContact O-CB 3.09Å; S262-L265 PolarHBondContact O-N 3.19Å; E263-L265 VanDerWaalsContact C-N 3.34Å; E263-L265 PolarHBondContact O-N 3.06Å; L265-H268 CarbonylContact O-C 3.16Å; L265-H268 WeakPolarHBondContact O-CA 3.42Å; L265-H268 WeakPolarHBondContact O-CB 3.47Å; L265-H268 PolarHBondContact O-N 2.87Å; L265-H268 VanDerWaalsContact O-N 3.08Å; L265-Q269 HydrophobicContact CD1-CG 4.06Å; L265-Q269 HydrophobicContact CG-CG 4.41Å; L265-Q269 WeakPolarHBondContact O-CG 3.45Å; L265-Q269 PolarHBondContact O-N 3.12Å
266	I	75.7	Confident	73.4	Confident	84 Å²	84	71.9 Å²	71.9	43%	0.431	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-48.5	178	-66.8	163.4	0	0	0	110.5	S262 E263 H268 Q269 R270	S262-I266 WeakPolarHBondContact O-CG1 3.36Å; S262-I266 PolarHBondContact O-N 3.23Å; E263-I266 PolarHBondContact O-N 3.28Å; I266-H268 PolarHBondContact O-N 2.95Å; I266-Q269 PolarHBondContact O-N 3.11Å; I266-R270 WeakPolarHBondContact O-CG 3.35Å; I266-R270 PolarHBondContact O-N 3.14Å; I266-R270 VanDerWaalsContact O-N 3.13Å
267	N	73.6	Confident	74	Confident	31 Å²	31	66.5 Å²	66.5	17%	0.166	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-26.3	174.4	-70.8	-2.4	0	0	0	112.4	E263 R270 I288 E289	E263-N267 PolarHBondContact O-N 3.09Å; N267-R270 PolarHBondContact OD1-NH1 3.42Å; N267-R270 VanDerWaalsContact OD1-NH1 3.12Å; N267-I288 HydrophobicContact CB-CG2 3.99Å; N267-I288 WeakPolarHBondContact O-CG2 3.38Å; N267-E289 PolarHBondContact ND2-OE1 3.31Å
268	H	74.4	Confident	74.4	Confident	15 Å²	15	65.9 Å²	65.9	7%	0.069	34%	0.344	C	S	.	.	H	α-helix	trans	-75.9	-40.2	172.6	177.5	46.4	0	0	0	113.1	C255 F259 N264 L265 I266 R270 I271 H272	C255-H268 PolarHBondContact SG-NE2 3.04Å; F259-H268 HydrophobicContact CE1-CB 4.15Å; F259-H268 HydrophobicContact CE2-CB 3.91Å; F259-H268 AromaticContact CE2-CD2 3.36Å; F259-H268 WeakPolarHBondContact CE2-CD2 3.16Å; F259-H268 AromaticContact CE2-CG 3.77Å; F259-H268 HydrophobicContact CZ-CB 3.54Å; F259-H268 AromaticContact CZ-CD2 3.39Å; F259-H268 WeakPolarHBondContact CZ-CD2 3.49Å; F259-H268 AromaticContact CZ-CG 3.38Å; N264-H268 VanDerWaalsContact O-CB 3.27Å; N264-H268 WeakPolarHBondContact O-CB 3.41Å; N264-H268 PolarHBondContact O-N 3.31Å; N264-H268 VanDerWaalsContact O-N 3.08Å; L265-H268 CarbonylContact O-C 3.16Å; L265-H268 WeakPolarHBondContact O-CA 3.42Å; L265-H268 WeakPolarHBondContact O-CB 3.47Å; L265-H268 PolarHBondContact O-N 2.87Å; L265-H268 VanDerWaalsContact O-N 3.08Å; I266-H268 PolarHBondContact O-N 2.95Å; H268-R270 PolarHBondContact O-N 3.38Å; H268-I271 WeakPolarHBondContact O-CB 3.45Å; H268-I271 WeakPolarHBondContact O-CG1 3.46Å; H268-I271 PolarHBondContact O-N 3.24Å; H268-H272 AromaticContact CE1-CE1 3.75Å; H268-H272 AromaticContact CE1-NE2 3.41Å; H268-H272 PolarHBondContact CE1-NE2 3.24Å; H268-H272 AromaticContact NE2-CE1 3.92Å; H268-H272 AromaticContact NE2-NE2 3.24Å; H268-H272 PolarHBondContact NE2-NE2 3.04Å
269	Q	70.6	Confident	74.1	Confident	71 Å²	71	71.2 Å²	71.2	33%	0.332	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-33.6	176.4	-72.9	172.9	-66.7	0	0	111.8	L265 I266 I271 H272 T273	L265-Q269 HydrophobicContact CD1-CG 4.06Å; L265-Q269 HydrophobicContact CG-CG 4.41Å; L265-Q269 WeakPolarHBondContact O-CG 3.45Å; L265-Q269 PolarHBondContact O-N 3.12Å; I266-Q269 PolarHBondContact O-N 3.11Å; Q269-I271 PolarHBondContact O-N 3.29Å; Q269-I271 VanDerWaalsContact O-N 3.12Å; Q269-H272 PolarHBondContact O-N 3.41Å; Q269-T273 PolarHBondContact O-N 2.87Å; Q269-T273 VanDerWaalsContact O-N 3.09Å
270	R	77.8	Confident	74.1	Confident	63 Å²	63	69.1 Å²	69.1	24%	0.238	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-20.2	169.6	-72.1	-175.8	166.9	134.8	-0.1	114.8	I266 N267 H268 G274 D275 I288	I266-R270 WeakPolarHBondContact O-CG 3.35Å; I266-R270 PolarHBondContact O-N 3.14Å; I266-R270 VanDerWaalsContact O-N 3.13Å; N267-R270 PolarHBondContact OD1-NH1 3.42Å; N267-R270 VanDerWaalsContact OD1-NH1 3.12Å; H268-R270 PolarHBondContact O-N 3.38Å; R270-G274 CarbonylContact O-C 3.58Å; R270-G274 WeakPolarHBondContact O-CA 3.19Å; R270-G274 PolarHBondContact O-N 3.44Å; R270-G274 VanDerWaalsContact O-N 3.1Å; R270-D275 HydrophobicContact CB-CB 4.37Å; R270-D275 WeakPolarHBondContact CD-OD2 3.35Å; R270-D275 HydrophobicContact CG-CB 4.05Å; R270-D275 IonicContact CZ-OD2 2.79Å; R270-D275 IonicContact NE-OD2 3.72Å; R270-D275 PolarHBondContact NE-OD2 2.92Å; R270-D275 IonicContact NH2-OD2 3.76Å; R270-D275 PolarHBondContact O-N 2.85Å; R270-I288 HydrophobicContact CB-CD1 4.24Å; R270-I288 HydrophobicContact CB-CG1 4.17Å; R270-I288 HydrophobicContact CB-CG2 3.94Å
271	I	66.9	Low	74	Confident	106 Å²	106	74.1 Å²	74.1	54%	0.544	38%	0.377	S	S	.	.	H	α-helix	trans	-72.4	-35.8	173.5	-53.6	179.1	0	0	0	110.6	H268 Q269 I288	H268-I271 WeakPolarHBondContact O-CB 3.45Å; H268-I271 WeakPolarHBondContact O-CG1 3.46Å; H268-I271 PolarHBondContact O-N 3.24Å; Q269-I271 PolarHBondContact O-N 3.29Å; Q269-I271 VanDerWaalsContact O-N 3.12Å; I271-I288 HydrophobicContact CB-CD1 4.47Å; I271-I288 HydrophobicContact CG1-CD1 3.63Å
272	H	68.4	Low	73.8	Confident	80 Å²	80	77.4 Å²	77.4	37%	0.37	40%	0.396	S	S	.	.	H	α-helix	trans	-80.9	-39.1	179.8	-53.3	-52.7	0	0	0	112	E254 C255 H268 Q269 G274	E254-H272 IonicContact OE2-CD2 3.93Å; E254-H272 PolarHBondContact OE2-CD2 3.12Å; E254-H272 IonicContact OE2-CG 3.68Å; C255-H272 VanDerWaalsContact SG-CE1 3.55Å; C255-H272 PolarHBondContact SG-NE2 2.95Å; C255-H272 VanDerWaalsContact SG-NE2 3.39Å; H268-H272 AromaticContact CE1-CE1 3.75Å; H268-H272 AromaticContact CE1-NE2 3.41Å; H268-H272 PolarHBondContact CE1-NE2 3.24Å; H268-H272 AromaticContact NE2-CE1 3.92Å; H268-H272 AromaticContact NE2-NE2 3.24Å; H268-H272 PolarHBondContact NE2-NE2 3.04Å; Q269-H272 PolarHBondContact O-N 3.41Å; H272-G274 VanDerWaalsContact C-N 3.3Å
273	T	67.9	Low	73.4	Confident	98 Å²	98	76.9 Å²	76.9	60%	0.601	39%	0.392	S	S	*	.	H	α-helix	trans	-80.2	-9.7	176.7	64.8	0	0	0	0	113.9	Q269 D275	Q269-T273 PolarHBondContact O-N 2.87Å; Q269-T273 VanDerWaalsContact O-N 3.09Å; T273-D275 PolarHBondContact O-N 3.26Å
274	G	68.5	Low	73.2	Confident	42 Å²	42	74.9 Å²	74.9	43%	0.433	40%	0.397	S	S	.	.			trans	71.6	0.9	-176.2	0	0	0	0	0	115.4	R270 H272 K276	R270-G274 CarbonylContact O-C 3.58Å; R270-G274 WeakPolarHBondContact O-CA 3.19Å; R270-G274 PolarHBondContact O-N 3.44Å; R270-G274 VanDerWaalsContact O-N 3.1Å; H272-G274 VanDerWaalsContact C-N 3.3Å; G274-K276 WeakPolarHBondContact O-CG 3.5Å; G274-K276 PolarHBondContact O-N 3.24Å
275	D	71.9	Confident	72.9	Confident	69 Å²	69	77.2 Å²	77.2	37%	0.369	40%	0.404	S	S	.	.			trans	-59.4	121.6	-178.3	172.5	35.5	0	0	0	111.8	R270 T273 P277	R270-D275 HydrophobicContact CB-CB 4.37Å; R270-D275 WeakPolarHBondContact CD-OD2 3.35Å; R270-D275 HydrophobicContact CG-CB 4.05Å; R270-D275 IonicContact CZ-OD2 2.79Å; R270-D275 IonicContact NE-OD2 3.72Å; R270-D275 PolarHBondContact NE-OD2 2.92Å; R270-D275 IonicContact NH2-OD2 3.76Å; R270-D275 PolarHBondContact O-N 2.85Å; T273-D275 PolarHBondContact O-N 3.26Å; D275-P277 WeakPolarHBondContact OD1-CD 3.43Å
276	K	77.4	Confident	72.7	Confident	108 Å²	108	77.3 Å²	77.3	47%	0.47	41%	0.41	S	S	.	.			trans	-130.9	78.8	-175.9	-76.2	159.5	178.3	172.3	0	109.4	G274 Y278 G286 F287 I288	G274-K276 WeakPolarHBondContact O-CG 3.5Å; G274-K276 PolarHBondContact O-N 3.24Å; K276-Y278 PolarHBondContact O-N 3.28Å; K276-G286 WeakPolarHBondContact CD-O 3.44Å; K276-F287 CarbonylContact C-O 3.52Å; K276-F287 WeakPolarHBondContact CA-O 3.29Å; K276-I288 HydrophobicContact CG-CG1 4.26Å
277	P	78.4	Confident	72.9	Confident	60 Å²	60	75.5 Å²	75.5	39%	0.39	40%	0.399	S	S	.	.			trans	-64.2	-23.9	-172.3	-24	34.7	0	0	0	114.5	D275	D275-P277 WeakPolarHBondContact OD1-CD 3.43Å
278	Y	77.3	Confident	73	Confident	105 Å²	105	75.9 Å²	75.9	41%	0.412	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	92.3	-173.9	-56.6	-82.1	0	0	0	110.1	K276 F287 I288 G290	K276-Y278 PolarHBondContact O-N 3.28Å; Y278-F287 PolarHBondContact N-O 3.29Å; Y278-F287 VanDerWaalsContact N-O 3.08Å; Y278-F287 PolarHBondContact O-N 3.16Å; Y278-I288 WeakPolarHBondContact CE2-O 3.25Å; Y278-G290 VanDerWaalsContact CD2-N 3.29Å
279	K	71.4	Confident	73.1	Confident	142 Å²	142	79.1 Å²	79.1	62%	0.617	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	149.8	179.1	-62.2	-176.1	-178.3	-178.5	0	111.8	L293	K279-L293 VanDerWaalsContact O-CD2 3.24Å; K279-L293 WeakPolarHBondContact O-CD2 3.46Å
280	C	80.3	Confident	73.3	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.007	41%	0.407	C	S	.	.			trans	-95.3	110.6	174	-173.9	0	0	0	0	110.7	Q282 C283 G284 K285 F287 L293	C280-Q282 PolarHBondContact O-N 3.42Å; C280-Q282 VanDerWaalsContact O-N 3.09Å; C280-C283 PolarHBondContact O-N 3.29Å; C280-C283 VanDerWaalsContact SG-SG 3.67Å; C280-G284 WeakPolarHBondContact O-CA 3.46Å; C280-G284 PolarHBondContact O-N 3.29Å; C280-K285 WeakPolarHBondContact CB-O 3.25Å; C280-K285 PolarHBondContact N-O 3.03Å; C280-F287 HydrophobicContact CB-CE2 4.4Å; C280-L293 HydrophobicContact CB-CD1 3.47Å; C280-L293 VanDerWaalsContact CB-CD1 3.47Å
281	D	74.3	Confident	73.4	Confident	145 Å²	145	78.1 Å²	78.1	78%	0.775	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.1	-174.2	-43.4	-67.7	0	0	0	113.2
282	Q	70	Confident	73.8	Confident	158 Å²	158	75.4 Å²	75.4	74%	0.738	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-12	179.3	-63.2	-65.7	-21.1	0	0	114.8	C280	C280-Q282 PolarHBondContact O-N 3.42Å; C280-Q282 VanDerWaalsContact O-N 3.09Å
283	C	67.4	Low	74.3	Confident	47 Å²	47	72.5 Å²	72.5	32%	0.318	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.1	11.3	-175.3	70	0	0	0	0	115.8	C280 K285 H296 H300	C280-C283 PolarHBondContact O-N 3.29Å; C280-C283 VanDerWaalsContact SG-SG 3.67Å; C283-K285 PolarHBondContact O-N 3.1Å; C283-H296 PolarHBondContact SG-NE2 2.87Å; C283-H300 PolarHBondContact SG-NE2 3.2Å; C283-H300 VanDerWaalsContact SG-NE2 3.38Å
284	G	71.3	Confident	74.8	Confident	56 Å²	56	71.3 Å²	71.3	58%	0.577	40%	0.397	S	S	*	.			trans	68.6	-19.2	-178.9	0	0	0	0	0	116.5	C280 G286	C280-G284 WeakPolarHBondContact O-CA 3.46Å; C280-G284 PolarHBondContact O-N 3.29Å; G284-G286 PolarHBondContact O-N 2.92Å
285	K	68.7	Low	75.1	Confident	120 Å²	120	73.3 Å²	73.3	52%	0.522	40%	0.395	S	S	.	.			trans	-60.3	122.8	-171.2	-70.4	174.9	-179.7	172.2	0	111.3	C280 C283 F287	C280-K285 WeakPolarHBondContact CB-O 3.25Å; C280-K285 PolarHBondContact N-O 3.03Å; C283-K285 PolarHBondContact O-N 3.1Å; K285-F287 HydrophobicContact CB-CE2 4.24Å; K285-F287 HydrophobicContact CB-CZ 4.43Å; K285-F287 WeakPolarHBondContact O-CD2 3.46Å; K285-F287 VanDerWaalsContact O-CE2 3.24Å; K285-F287 WeakPolarHBondContact O-CE2 3.38Å
286	G	74.8	Confident	75.3	Confident	23 Å²	23	71.3 Å²	71.3	24%	0.237	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	141.2	-175	0	0	0	0	0	113.9	K276 G284	K276-G286 WeakPolarHBondContact CD-O 3.44Å; G284-G286 PolarHBondContact O-N 2.92Å
287	F	80	Confident	75.2	Confident	45 Å²	45	69.3 Å²	69.3	20%	0.197	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.3	-177.8	-59.7	-89.5	0	0	0	111.5	K276 Y278 C280 K285 L293 H296	K276-F287 CarbonylContact C-O 3.52Å; K276-F287 WeakPolarHBondContact CA-O 3.29Å; Y278-F287 PolarHBondContact N-O 3.29Å; Y278-F287 VanDerWaalsContact N-O 3.08Å; Y278-F287 PolarHBondContact O-N 3.16Å; C280-F287 HydrophobicContact CB-CE2 4.4Å; K285-F287 HydrophobicContact CB-CE2 4.24Å; K285-F287 HydrophobicContact CB-CZ 4.43Å; K285-F287 WeakPolarHBondContact O-CD2 3.46Å; K285-F287 VanDerWaalsContact O-CE2 3.24Å; K285-F287 WeakPolarHBondContact O-CE2 3.38Å; F287-L293 HydrophobicContact CB-CB 4.28Å; F287-L293 HydrophobicContact CD2-CB 3.86Å; F287-L293 HydrophobicContact CD2-CD1 3.89Å; F287-L293 HydrophobicContact CD2-CG 4.48Å; F287-L293 HydrophobicContact CE2-CD1 4.06Å; F287-L293 HydrophobicContact CG-CB 4.2Å; F287-H296 HydrophobicContact CE1-CB 3.99Å; F287-H296 HydrophobicContact CE2-CB 3.87Å; F287-H296 AromaticContact CE2-CD2 3.56Å; F287-H296 AromaticContact CE2-CG 3.72Å; F287-H296 HydrophobicContact CZ-CB 3.42Å; F287-H296 VanDerWaalsContact CZ-CB 3.42Å; F287-H296 AromaticContact CZ-CD2 3.58Å; F287-H296 AromaticContact CZ-CG 3.29Å; F287-H296 AromaticContact CZ-ND1 3.81Å
288	I	75.7	Confident	75.3	Confident	39 Å²	39	69.4 Å²	69.4	20%	0.2	37%	0.368	C	S	.	.	S	Bend	trans	-78.2	-25.7	178	-68.2	170.4	0	0	0	111.6	N267 R270 I271 K276 Y278	N267-I288 HydrophobicContact CB-CG2 3.99Å; N267-I288 WeakPolarHBondContact O-CG2 3.38Å; R270-I288 HydrophobicContact CB-CD1 4.24Å; R270-I288 HydrophobicContact CB-CG1 4.17Å; R270-I288 HydrophobicContact CB-CG2 3.94Å; I271-I288 HydrophobicContact CB-CD1 4.47Å; I271-I288 HydrophobicContact CG1-CD1 3.63Å; K276-I288 HydrophobicContact CG-CG1 4.26Å; Y278-I288 WeakPolarHBondContact CE2-O 3.25Å
289	E	76.4	Confident	74.8	Confident	83 Å²	83	70 Å²	70	39%	0.388	38%	0.377	S	S	.	.	S	Bend	trans	-132.1	131.5	-176	-56.2	-169.8	160.1	0	0	111.5	N267 S292 L293	N267-E289 PolarHBondContact ND2-OE1 3.31Å; E289-S292 VanDerWaalsContact O-CB 3.31Å; E289-S292 WeakPolarHBondContact O-CB 3.26Å; E289-S292 PolarHBondContact O-N 2.82Å; E289-L293 PolarHBondContact O-N 3.36Å
290	G	75.4	Confident	74.8	Confident	14 Å²	14	67.2 Å²	67.2	14%	0.144	37%	0.366	C	S	.	.	H	α-helix	trans	-51.5	-45.2	179.2	0	0	0	0	0	114.9	Y278 S292 L293 T294	Y278-G290 VanDerWaalsContact CD2-N 3.29Å; G290-S292 PolarHBondContact O-N 3.2Å; G290-S292 VanDerWaalsContact O-N 3.16Å; G290-L293 WeakPolarHBondContact O-CA 3.41Å; G290-L293 WeakPolarHBondContact O-CB 3.45Å; G290-L293 PolarHBondContact O-N 3.24Å; G290-T294 PolarHBondContact O-N 2.92Å; G290-T294 PolarHBondContact O-OG1 3.05Å
291	P	78.2	Confident	74.3	Confident	100 Å²	100	71.4 Å²	71.4	65%	0.649	39%	0.392	S	S	*	.	H	α-helix	trans	-60.3	-24.7	176	-27	36.5	0	0	0	114.7	Q295	P291-Q295 WeakPolarHBondContact O-CB 3.28Å; P291-Q295 PolarHBondContact O-N 2.83Å
292	S	75.5	Confident	74.1	Confident	48 Å²	48	66.5 Å²	66.5	34%	0.336	38%	0.375	S	S	.	.	H	α-helix	trans	-74.7	-39.1	173.9	-62.7	0	0	0	0	111.3	E289 G290 Q295 H296	E289-S292 VanDerWaalsContact O-CB 3.31Å; E289-S292 WeakPolarHBondContact O-CB 3.26Å; E289-S292 PolarHBondContact O-N 2.82Å; G290-S292 PolarHBondContact O-N 3.2Å; G290-S292 VanDerWaalsContact O-N 3.16Å; S292-Q295 PolarHBondContact O-N 3.37Å; S292-H296 WeakPolarHBondContact O-CB 3.42Å; S292-H296 PolarHBondContact O-N 3.21Å
293	L	80.5	Confident	74.3	Confident	19 Å²	19	63.7 Å²	63.7	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-48.1	169.6	170.6	62	0	0	0	111.1	K279 C280 F287 E289 G290 Q295 H296 Q297	K279-L293 VanDerWaalsContact O-CD2 3.24Å; K279-L293 WeakPolarHBondContact O-CD2 3.46Å; C280-L293 HydrophobicContact CB-CD1 3.47Å; C280-L293 VanDerWaalsContact CB-CD1 3.47Å; F287-L293 HydrophobicContact CB-CB 4.28Å; F287-L293 HydrophobicContact CD2-CB 3.86Å; F287-L293 HydrophobicContact CD2-CD1 3.89Å; F287-L293 HydrophobicContact CD2-CG 4.48Å; F287-L293 HydrophobicContact CE2-CD1 4.06Å; F287-L293 HydrophobicContact CG-CB 4.2Å; E289-L293 PolarHBondContact O-N 3.36Å; G290-L293 WeakPolarHBondContact O-CA 3.41Å; G290-L293 WeakPolarHBondContact O-CB 3.45Å; G290-L293 PolarHBondContact O-N 3.24Å; L293-Q295 VanDerWaalsContact C-N 3.26Å; L293-Q295 PolarHBondContact O-N 2.91Å; L293-H296 CarbonylContact O-C 3.56Å; L293-H296 WeakPolarHBondContact O-CA 3.41Å; L293-H296 WeakPolarHBondContact O-CB 3.35Å; L293-H296 PolarHBondContact O-N 3.49Å; L293-Q297 HydrophobicContact CD1-CG 4.01Å; L293-Q297 HydrophobicContact CG-CG 4.41Å; L293-Q297 WeakPolarHBondContact O-CG 3.28Å; L293-Q297 PolarHBondContact O-N 2.95Å
294	T	77.1	Confident	74.8	Confident	74 Å²	74	67.4 Å²	67.4	45%	0.454	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-32.4	177.7	-49	0	0	0	0	112.6	G290	G290-T294 PolarHBondContact O-N 2.92Å; G290-T294 PolarHBondContact O-OG1 3.05Å
295	Q	75.9	Confident	75.2	Confident	83 Å²	83	68.1 Å²	68.1	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-70.6	-38.3	171.6	-176.9	177.9	97.8	0	0	112.1	P291 S292 L293 Q317	P291-Q295 WeakPolarHBondContact O-CB 3.28Å; P291-Q295 PolarHBondContact O-N 2.83Å; S292-Q295 PolarHBondContact O-N 3.37Å; L293-Q295 VanDerWaalsContact C-N 3.26Å; L293-Q295 PolarHBondContact O-N 2.91Å; Q295-Q317 VanDerWaalsContact CD-NE2 3.26Å; Q295-Q317 HydrophobicContact CG-CG 4.33Å
296	H	75.6	Confident	75.8	Confident	27 Å²	27	66.3 Å²	66.3	13%	0.125	36%	0.358	C	S	.	.	H	α-helix	trans	-68.6	-39.2	177.6	174.5	68.7	0	0	0	112.9	C283 F287 S292 L293 R298 I299 H300	C283-H296 PolarHBondContact SG-NE2 2.87Å; F287-H296 HydrophobicContact CE1-CB 3.99Å; F287-H296 HydrophobicContact CE2-CB 3.87Å; F287-H296 AromaticContact CE2-CD2 3.56Å; F287-H296 AromaticContact CE2-CG 3.72Å; F287-H296 HydrophobicContact CZ-CB 3.42Å; F287-H296 VanDerWaalsContact CZ-CB 3.42Å; F287-H296 AromaticContact CZ-CD2 3.58Å; F287-H296 AromaticContact CZ-CG 3.29Å; F287-H296 AromaticContact CZ-ND1 3.81Å; S292-H296 WeakPolarHBondContact O-CB 3.42Å; S292-H296 PolarHBondContact O-N 3.21Å; L293-H296 CarbonylContact O-C 3.56Å; L293-H296 WeakPolarHBondContact O-CA 3.41Å; L293-H296 WeakPolarHBondContact O-CB 3.35Å; L293-H296 PolarHBondContact O-N 3.49Å; H296-R298 PolarHBondContact O-N 3.31Å; H296-R298 VanDerWaalsContact O-N 3.09Å; H296-I299 VanDerWaalsContact O-CB 3.29Å; H296-I299 WeakPolarHBondContact O-CB 3.12Å; H296-I299 WeakPolarHBondContact O-CG1 3.25Å; H296-I299 PolarHBondContact O-N 2.8Å; H296-H300 AromaticContact CD2-NE2 3.77Å; H296-H300 AromaticContact CE1-NE2 3.79Å; H296-H300 AromaticContact NE2-CE1 3.84Å; H296-H300 AromaticContact NE2-NE2 3.09Å; H296-H300 PolarHBondContact NE2-NE2 3.3Å
297	Q	74.8	Confident	75.7	Confident	67 Å²	67	71.9 Å²	71.9	31%	0.313	38%	0.376	S	S	.	.	H	α-helix	trans	-56.5	-27.4	178.9	-76.3	168	-35.8	0	0	113.1	L293 I299 H300 T301	L293-Q297 HydrophobicContact CD1-CG 4.01Å; L293-Q297 HydrophobicContact CG-CG 4.41Å; L293-Q297 WeakPolarHBondContact O-CG 3.28Å; L293-Q297 PolarHBondContact O-N 2.95Å; Q297-I299 PolarHBondContact O-N 3.06Å; Q297-H300 PolarHBondContact O-N 2.94Å; Q297-T301 PolarHBondContact O-N 2.89Å; Q297-T301 PolarHBondContact O-OG1 3.25Å
298	R	80	Confident	75.7	Confident	61 Å²	61	69.8 Å²	69.8	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-65.3	-13.5	173.2	-62.4	-166.5	179.5	126	14.7	115.2	H296 G302 E303 S316	H296-R298 PolarHBondContact O-N 3.31Å; H296-R298 VanDerWaalsContact O-N 3.09Å; R298-G302 CarbonylContact O-C 3.56Å; R298-G302 WeakPolarHBondContact O-CA 3.45Å; R298-G302 PolarHBondContact O-N 3.32Å; R298-E303 HydrophobicContact CB-CB 4.06Å; R298-E303 HydrophobicContact CG-CB 3.9Å; R298-E303 IonicContact NE-OE2 3.12Å; R298-E303 PolarHBondContact NE-OE2 2.98Å; R298-E303 PolarHBondContact O-N 3.22Å; R298-S316 PolarHBondContact NH1-O 3.38Å
299	I	67.7	Low	75.8	Confident	119 Å²	119	75.1 Å²	75.1	61%	0.61	40%	0.395	S	S	*	.	H	α-helix	trans	-71.9	-42.6	170.9	-58.8	179.3	0	0	0	109.1	H296 Q297	H296-I299 VanDerWaalsContact O-CB 3.29Å; H296-I299 WeakPolarHBondContact O-CB 3.12Å; H296-I299 WeakPolarHBondContact O-CG1 3.25Å; H296-I299 PolarHBondContact O-N 2.8Å; Q297-I299 PolarHBondContact O-N 3.06Å
300	H	70.4	Confident	75.5	Confident	82 Å²	82	76.8 Å²	76.8	38%	0.38	40%	0.403	S	S	.	.	H	α-helix	trans	-76.4	-41.9	-179.7	-52.1	-50.9	0	0	0	112.6	C283 H296 Q297 G302	C283-H300 PolarHBondContact SG-NE2 3.2Å; C283-H300 VanDerWaalsContact SG-NE2 3.38Å; H296-H300 AromaticContact CD2-NE2 3.77Å; H296-H300 AromaticContact CE1-NE2 3.79Å; H296-H300 AromaticContact NE2-CE1 3.84Å; H296-H300 AromaticContact NE2-NE2 3.09Å; H296-H300 PolarHBondContact NE2-NE2 3.3Å; Q297-H300 PolarHBondContact O-N 2.94Å; H300-G302 PolarHBondContact O-N 2.79Å
301	T	70.9	Confident	75	Confident	89 Å²	89	78.5 Å²	78.5	55%	0.546	41%	0.413	S	S	.	.	S	Bend	trans	-79.4	-4.6	177.1	64.1	0	0	0	0	113.7	Q297 E303	Q297-T301 PolarHBondContact O-N 2.89Å; Q297-T301 PolarHBondContact O-OG1 3.25Å; T301-E303 PolarHBondContact O-N 3.2Å; T301-E303 VanDerWaalsContact O-N 3.07Å; T301-E303 WeakPolarHBondContact OG1-CG 3.47Å
302	G	70	Confident	74.7	Confident	42 Å²	42	76.5 Å²	76.5	43%	0.433	41%	0.41	S	S	.	.			trans	66.3	3	-176.4	0	0	0	0	0	115.2	R298 H300 K304	R298-G302 CarbonylContact O-C 3.56Å; R298-G302 WeakPolarHBondContact O-CA 3.45Å; R298-G302 PolarHBondContact O-N 3.32Å; H300-G302 PolarHBondContact O-N 2.79Å; G302-K304 PolarHBondContact O-N 2.87Å
303	E	73.4	Confident	74.4	Confident	100 Å²	100	80.3 Å²	80.3	47%	0.467	42%	0.421	S	S	.	.			trans	-57.1	122.3	-173.5	-87.4	-176.9	-161	0	0	113.2	R298 T301	R298-E303 HydrophobicContact CB-CB 4.06Å; R298-E303 HydrophobicContact CG-CB 3.9Å; R298-E303 IonicContact NE-OE2 3.12Å; R298-E303 PolarHBondContact NE-OE2 2.98Å; R298-E303 PolarHBondContact O-N 3.22Å; T301-E303 PolarHBondContact O-N 3.2Å; T301-E303 VanDerWaalsContact O-N 3.07Å; T301-E303 WeakPolarHBondContact OG1-CG 3.47Å
304	K	77.9	Confident	74.4	Confident	124 Å²	124	81 Å²	81	54%	0.539	43%	0.429	S	S	.	.			trans	-126.6	75.2	177.2	-71.6	156.9	-175.9	168.1	0	110.5	G302 Y306 A314 F315	G302-K304 PolarHBondContact O-N 2.87Å; K304-Y306 PolarHBondContact O-N 2.83Å; K304-A314 HydrophobicContact CB-CB 3.55Å; K304-A314 HydrophobicContact CD-CB 4.39Å; K304-A314 HydrophobicContact CG-CB 4.47Å; K304-F315 CarbonylContact C-O 3.53Å; K304-F315 VanDerWaalsContact C-O 3.25Å; K304-F315 WeakPolarHBondContact CA-O 3.47Å
305	P	81	Confident	74.6	Confident	71 Å²	71	79.7 Å²	79.7	46%	0.461	42%	0.417	S	S	.	.			trans	-67	-19.7	-172.7	-21.4	34.6	0	0	0	114.4
306	Y	81.5	Confident	74.7	Confident	83 Å²	83	77.4 Å²	77.4	33%	0.325	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	91.5	-172.7	-56.7	-78	0	0	0	110.1	K304 A314 F315 Q317 R318	K304-Y306 PolarHBondContact O-N 2.83Å; Y306-A314 WeakPolarHBondContact O-CA 3.4Å; Y306-F315 WeakPolarHBondContact CB-O 3.32Å; Y306-F315 PolarHBondContact N-O 3.03Å; Y306-F315 PolarHBondContact O-N 3.16Å; Y306-Q317 VanDerWaalsContact CD2-C 3.41Å; Y306-R318 HydrophobicContact CD1-CB 3.74Å; Y306-R318 HydrophobicContact CD1-CG 4.07Å; Y306-R318 HydrophobicContact CE1-CB 3.64Å; Y306-R318 HydrophobicContact CE1-CG 4.13Å; Y306-R318 HydrophobicContact CE2-CB 4.42Å; Y306-R318 HydrophobicContact CG-CB 4.18Å
307	K	71.6	Confident	74.8	Confident	140 Å²	140	78.3 Å²	78.3	61%	0.609	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	150	177.8	-60.9	-175.6	-179.1	179.4	0	111.4	K313 A314 L321	K307-K313 CarbonylContact C-O 3.47Å; K307-A314 HydrophobicContact CG-CB 3.97Å; K307-L321 VanDerWaalsContact O-CD2 3.24Å; K307-L321 WeakPolarHBondContact O-CD2 3.41Å
308	C	81.2	Confident	75	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.431	C	S	.	.			trans	-100.9	112.2	172.1	-169.7	0	0	0	0	109.3	E310 C311 G312 K313 F315 L321	C308-E310 PolarHBondContact O-N 2.95Å; C308-C311 PolarHBondContact O-N 3.03Å; C308-G312 WeakPolarHBondContact O-CA 3.39Å; C308-G312 PolarHBondContact O-N 2.83Å; C308-K313 WeakPolarHBondContact CB-O 3.19Å; C308-K313 PolarHBondContact N-O 3.48Å; C308-F315 HydrophobicContact CB-CE2 4.47Å; C308-L321 HydrophobicContact CB-CD1 3.5Å; C308-L321 VanDerWaalsContact CB-CD1 3.5Å
309	D	76.4	Confident	74.8	Confident	151 Å²	151	84.7 Å²	84.7	81%	0.807	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-27.4	-171.5	-49.5	-62.7	0	0	0	112.7	C311	D309-C311 PolarHBondContact O-N 3.14Å
310	E	71.1	Confident	75.3	Confident	119 Å²	119	82.5 Å²	82.5	56%	0.556	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.4	179.5	-61.8	171.9	122.7	0	0	114.4	C308 H328	C308-E310 PolarHBondContact O-N 2.95Å; E310-H328 WeakPolarHBondContact OE2-CB 3.39Å; E310-H328 IonicContact OE2-CD2 3.91Å; E310-H328 PolarHBondContact OE2-CD2 3.48Å; E310-H328 IonicContact OE2-CG 3.97Å
311	C	64.2	Low	75.8	Confident	50 Å²	50	79.5 Å²	79.5	34%	0.338	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.3	6.4	-174.4	74.6	0	0	0	0	115.7	C308 D309 K313 H324 H328	C308-C311 PolarHBondContact O-N 3.03Å; D309-C311 PolarHBondContact O-N 3.14Å; C311-K313 PolarHBondContact O-N 2.96Å; C311-H324 PolarHBondContact SG-NE2 3.36Å; C311-H328 PolarHBondContact SG-NE2 3.11Å; C311-H328 VanDerWaalsContact SG-NE2 3.41Å
312	G	72.8	Confident	76.2	Confident	58 Å²	58	78.3 Å²	78.3	60%	0.598	41%	0.412	S	S	*	.			trans	69.7	-9.6	-179.2	0	0	0	0	0	116.4	C308 A314	C308-G312 WeakPolarHBondContact O-CA 3.39Å; C308-G312 PolarHBondContact O-N 2.83Å; G312-A314 PolarHBondContact O-N 3.03Å
313	K	68.7	Low	76.6	Confident	127 Å²	127	79.6 Å²	79.6	55%	0.552	41%	0.406	S	S	*	.			trans	-66.9	132.3	-174.6	-66.8	-175.6	179.5	-178.7	0	111.6	K307 C308 C311 F315	K307-K313 CarbonylContact C-O 3.47Å; C308-K313 WeakPolarHBondContact CB-O 3.19Å; C308-K313 PolarHBondContact N-O 3.48Å; C311-K313 PolarHBondContact O-N 2.96Å; K313-F315 HydrophobicContact CB-CE2 4.03Å; K313-F315 HydrophobicContact CB-CZ 4.2Å; K313-F315 WeakPolarHBondContact O-CE2 3.4Å
314	A	79.4	Confident	76.7	Confident	33 Å²	33	75.9 Å²	75.9	27%	0.273	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140	-172.6	0	0	0	0	0	112.4	K304 Y306 K307 G312	K304-A314 HydrophobicContact CB-CB 3.55Å; K304-A314 HydrophobicContact CD-CB 4.39Å; K304-A314 HydrophobicContact CG-CB 4.47Å; Y306-A314 WeakPolarHBondContact O-CA 3.4Å; K307-A314 HydrophobicContact CG-CB 3.97Å; G312-A314 PolarHBondContact O-N 3.03Å
315	F	81.3	Confident	76.7	Confident	47 Å²	47	72.7 Å²	72.7	21%	0.206	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.2	-174.3	-57.6	-90.8	0	0	0	111.5	K304 Y306 C308 K313 Q317 H320 L321 H324	K304-F315 CarbonylContact C-O 3.53Å; K304-F315 VanDerWaalsContact C-O 3.25Å; K304-F315 WeakPolarHBondContact CA-O 3.47Å; Y306-F315 WeakPolarHBondContact CB-O 3.32Å; Y306-F315 PolarHBondContact N-O 3.03Å; Y306-F315 PolarHBondContact O-N 3.16Å; C308-F315 HydrophobicContact CB-CE2 4.47Å; K313-F315 HydrophobicContact CB-CE2 4.03Å; K313-F315 HydrophobicContact CB-CZ 4.2Å; K313-F315 WeakPolarHBondContact O-CE2 3.4Å; F315-Q317 VanDerWaalsContact C-N 3.28Å; F315-Q317 PolarHBondContact O-N 2.93Å; F315-H320 HydrophobicContact CB-CB 4.3Å; F315-H320 HydrophobicContact CD1-CB 3.86Å; F315-H320 HydrophobicContact CG-CB 4.31Å; F315-L321 HydrophobicContact CB-CB 4.47Å; F315-L321 HydrophobicContact CD2-CB 3.99Å; F315-L321 HydrophobicContact CD2-CD1 3.97Å; F315-L321 HydrophobicContact CE2-CD1 4.14Å; F315-L321 HydrophobicContact CG-CB 4.42Å; F315-H324 HydrophobicContact CE1-CB 4.18Å; F315-H324 HydrophobicContact CE2-CB 3.93Å; F315-H324 AromaticContact CE2-CD2 3.46Å; F315-H324 VanDerWaalsContact CE2-CD2 3.46Å; F315-H324 WeakPolarHBondContact CE2-CD2 3.28Å; F315-H324 AromaticContact CE2-CG 3.8Å; F315-H324 HydrophobicContact CZ-CB 3.55Å; F315-H324 AromaticContact CZ-CD2 3.46Å; F315-H324 VanDerWaalsContact CZ-CD2 3.46Å; F315-H324 WeakPolarHBondContact CZ-CD2 3.23Å; F315-H324 AromaticContact CZ-CG 3.39Å
316	S	78.3	Confident	76.7	Confident	35 Å²	35	72.1 Å²	72.1	25%	0.245	37%	0.365	C	S	.	.	S	Bend	trans	-77	-12.9	175.8	54.9	0	0	0	0	113.7	R298	R298-S316 PolarHBondContact NH1-O 3.38Å
317	Q	78.9	Confident	76.2	Confident	46 Å²	46	73.9 Å²	73.9	22%	0.215	38%	0.378	C	S	.	.	S	Bend	trans	-136	139.5	-180	-50.4	-172	20.9	0	0	112.2	Q295 Y306 F315 T319 H320 L321	Q295-Q317 VanDerWaalsContact CD-NE2 3.26Å; Q295-Q317 HydrophobicContact CG-CG 4.33Å; Y306-Q317 VanDerWaalsContact CD2-C 3.41Å; F315-Q317 VanDerWaalsContact C-N 3.28Å; F315-Q317 PolarHBondContact O-N 2.93Å; Q317-T319 VanDerWaalsContact C-N 3.29Å; Q317-T319 WeakPolarHBondContact CB-OG1 3.25Å; Q317-T319 PolarHBondContact O-N 3.45Å; Q317-T319 PolarHBondContact OE1-OG1 3.37Å; Q317-H320 PolarHBondContact O-N 2.93Å; Q317-L321 PolarHBondContact O-N 3.24Å
318	R	78.2	Confident	76.2	Confident	176 Å²	176	70.9 Å²	70.9	66%	0.664	37%	0.366	S	S	*	.	H	α-helix	trans	-62.2	-33.6	177.4	-168.6	176.8	178.2	178.3	1.1	113.2	Y306 L321 V322	Y306-R318 HydrophobicContact CD1-CB 3.74Å; Y306-R318 HydrophobicContact CD1-CG 4.07Å; Y306-R318 HydrophobicContact CE1-CB 3.64Å; Y306-R318 HydrophobicContact CE1-CG 4.13Å; Y306-R318 HydrophobicContact CE2-CB 4.42Å; Y306-R318 HydrophobicContact CG-CB 4.18Å; R318-L321 PolarHBondContact O-N 2.82Å; R318-V322 WeakPolarHBondContact O-CG2 3.39Å; R318-V322 PolarHBondContact O-N 3.28Å
319	T	76.5	Confident	75.8	Confident	87 Å²	87	74.7 Å²	74.7	53%	0.534	39%	0.39	S	S	.	.	H	α-helix	trans	-57.2	-46.3	175.7	39.1	0	0	0	0	111.9	Q317 V322 Q323	Q317-T319 VanDerWaalsContact C-N 3.29Å; Q317-T319 WeakPolarHBondContact CB-OG1 3.25Å; Q317-T319 PolarHBondContact O-N 3.45Å; Q317-T319 PolarHBondContact OE1-OG1 3.37Å; T319-V322 PolarHBondContact O-N 2.85Å; T319-Q323 VanDerWaalsContact O-CB 3.31Å; T319-Q323 WeakPolarHBondContact O-CB 3.47Å; T319-Q323 PolarHBondContact O-N 3.37Å
320	H	78.3	Confident	75.6	Confident	73 Å²	73	69.5 Å²	69.5	34%	0.338	37%	0.372	S	S	.	.	H	α-helix	trans	-70.4	-34.2	178.8	-58.5	151.5	0	0	0	112.3	F315 Q317 Q323 H324	F315-H320 HydrophobicContact CB-CB 4.3Å; F315-H320 HydrophobicContact CD1-CB 3.86Å; F315-H320 HydrophobicContact CG-CB 4.31Å; Q317-H320 PolarHBondContact O-N 2.93Å; H320-Q323 PolarHBondContact CD2-OE1 3.19Å; H320-Q323 PolarHBondContact O-N 3.43Å; H320-H324 VanDerWaalsContact O-CB 3.27Å; H320-H324 WeakPolarHBondContact O-CB 3.42Å; H320-H324 PolarHBondContact O-N 3.4Å
321	L	80.6	Confident	75.7	Confident	18 Å²	18	68.7 Å²	68.7	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-61.9	-50.2	170.8	173.3	61.5	0	0	0	111.6	K307 C308 F315 Q317 R318 Q323 H324 Q325	K307-L321 VanDerWaalsContact O-CD2 3.24Å; K307-L321 WeakPolarHBondContact O-CD2 3.41Å; C308-L321 HydrophobicContact CB-CD1 3.5Å; C308-L321 VanDerWaalsContact CB-CD1 3.5Å; F315-L321 HydrophobicContact CB-CB 4.47Å; F315-L321 HydrophobicContact CD2-CB 3.99Å; F315-L321 HydrophobicContact CD2-CD1 3.97Å; F315-L321 HydrophobicContact CE2-CD1 4.14Å; F315-L321 HydrophobicContact CG-CB 4.42Å; Q317-L321 PolarHBondContact O-N 3.24Å; R318-L321 PolarHBondContact O-N 2.82Å; L321-Q323 VanDerWaalsContact C-N 3.3Å; L321-Q323 PolarHBondContact O-N 2.84Å; L321-H324 CarbonylContact O-C 3.51Å; L321-H324 WeakPolarHBondContact O-CA 3.48Å; L321-H324 WeakPolarHBondContact O-CB 3.37Å; L321-H324 PolarHBondContact O-N 3.05Å; L321-Q325 HydrophobicContact CD1-CG 4.11Å; L321-Q325 HydrophobicContact CG-CG 4.5Å; L321-Q325 WeakPolarHBondContact O-CG 3.5Å; L321-Q325 PolarHBondContact O-N 3.25Å
322	V	79	Confident	76.5	Confident	64 Å²	64	72.3 Å²	72.3	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-35.9	179.4	172.6	0	0	0	0	111.7	R318 T319 H324	R318-V322 WeakPolarHBondContact O-CG2 3.39Å; R318-V322 PolarHBondContact O-N 3.28Å; T319-V322 PolarHBondContact O-N 2.85Å; V322-H324 VanDerWaalsContact C-N 3.32Å
323	Q	77.6	Confident	76.9	Confident	69 Å²	69	72.8 Å²	72.8	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-33.5	172.1	-176.4	-177.1	14.3	0	0	112.4	T319 H320 L321 Q345	T319-Q323 VanDerWaalsContact O-CB 3.31Å; T319-Q323 WeakPolarHBondContact O-CB 3.47Å; T319-Q323 PolarHBondContact O-N 3.37Å; H320-Q323 PolarHBondContact CD2-OE1 3.19Å; H320-Q323 PolarHBondContact O-N 3.43Å; L321-Q323 VanDerWaalsContact C-N 3.3Å; L321-Q323 PolarHBondContact O-N 2.84Å; Q323-Q345 HydrophobicContact CG-CG 4.47Å; Q323-Q345 VanDerWaalsContact NE2-CD 3.28Å
324	H	76.9	Confident	77.4	Confident	22 Å²	22	70.2 Å²	70.2	10%	0.102	36%	0.358	C	S	.	.	H	α-helix	trans	-75.3	-40.1	177.3	176.1	53.7	0	0	0	112.9	C311 F315 H320 L321 V322 R326 I327 H328	C311-H324 PolarHBondContact SG-NE2 3.36Å; F315-H324 HydrophobicContact CE1-CB 4.18Å; F315-H324 HydrophobicContact CE2-CB 3.93Å; F315-H324 AromaticContact CE2-CD2 3.46Å; F315-H324 VanDerWaalsContact CE2-CD2 3.46Å; F315-H324 WeakPolarHBondContact CE2-CD2 3.28Å; F315-H324 AromaticContact CE2-CG 3.8Å; F315-H324 HydrophobicContact CZ-CB 3.55Å; F315-H324 AromaticContact CZ-CD2 3.46Å; F315-H324 VanDerWaalsContact CZ-CD2 3.46Å; F315-H324 WeakPolarHBondContact CZ-CD2 3.23Å; F315-H324 AromaticContact CZ-CG 3.39Å; H320-H324 VanDerWaalsContact O-CB 3.27Å; H320-H324 WeakPolarHBondContact O-CB 3.42Å; H320-H324 PolarHBondContact O-N 3.4Å; L321-H324 CarbonylContact O-C 3.51Å; L321-H324 WeakPolarHBondContact O-CA 3.48Å; L321-H324 WeakPolarHBondContact O-CB 3.37Å; L321-H324 PolarHBondContact O-N 3.05Å; V322-H324 VanDerWaalsContact C-N 3.32Å; H324-R326 PolarHBondContact O-N 2.86Å; H324-R326 VanDerWaalsContact O-N 3.15Å; H324-I327 VanDerWaalsContact O-CB 3.25Å; H324-I327 WeakPolarHBondContact O-CB 3.43Å; H324-I327 WeakPolarHBondContact O-CG1 3.33Å; H324-I327 PolarHBondContact O-N 3.41Å; H324-H328 AromaticContact CE1-NE2 3.83Å; H324-H328 AromaticContact NE2-NE2 3.4Å; H324-H328 PolarHBondContact NE2-NE2 3.11Å
325	Q	77.1	Confident	77	Confident	58 Å²	58	72.4 Å²	72.4	27%	0.271	37%	0.368	S	S	.	.	H	α-helix	trans	-57.9	-28.6	178.8	-74.4	170.9	-52	0	0	112.7	L321 I327 H328 T329	L321-Q325 HydrophobicContact CD1-CG 4.11Å; L321-Q325 HydrophobicContact CG-CG 4.5Å; L321-Q325 WeakPolarHBondContact O-CG 3.5Å; L321-Q325 PolarHBondContact O-N 3.25Å; Q325-I327 PolarHBondContact O-N 3.11Å; Q325-I327 VanDerWaalsContact O-N 3.1Å; Q325-H328 PolarHBondContact O-N 3.41Å; Q325-T329 PolarHBondContact O-N 3.09Å; Q325-T329 PolarHBondContact O-OG1 3.12Å
326	R	82.1	Confident	76.9	Confident	59 Å²	59	70.2 Å²	70.2	22%	0.223	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.4	171.4	-62.8	-168.6	178.7	139.9	11.1	115.3	H324 G330 E331 S344	H324-R326 PolarHBondContact O-N 2.86Å; H324-R326 VanDerWaalsContact O-N 3.15Å; R326-G330 CarbonylContact O-C 3.4Å; R326-G330 WeakPolarHBondContact O-CA 3.29Å; R326-G330 PolarHBondContact O-N 3.03Å; R326-E331 HydrophobicContact CB-CB 4.11Å; R326-E331 HydrophobicContact CG-CB 3.88Å; R326-E331 IonicContact NE-OE2 2.91Å; R326-E331 PolarHBondContact O-N 3.24Å; R326-S344 PolarHBondContact NH1-O 3.44Å
327	I	70.8	Confident	76.7	Confident	119 Å²	119	75.9 Å²	75.9	61%	0.61	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-35.5	173.1	-57.8	-178.5	0	0	0	110.2	H324 Q325	H324-I327 VanDerWaalsContact O-CB 3.25Å; H324-I327 WeakPolarHBondContact O-CB 3.43Å; H324-I327 WeakPolarHBondContact O-CG1 3.33Å; H324-I327 PolarHBondContact O-N 3.41Å; Q325-I327 PolarHBondContact O-N 3.11Å; Q325-I327 VanDerWaalsContact O-N 3.1Å
328	H	69.9	Low	76.3	Confident	77 Å²	77	79 Å²	79	36%	0.356	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-46.4	-179.8	-54.1	-49.3	0	0	0	111.5	E310 C311 H324 Q325 G330	E310-H328 WeakPolarHBondContact OE2-CB 3.39Å; E310-H328 IonicContact OE2-CD2 3.91Å; E310-H328 PolarHBondContact OE2-CD2 3.48Å; E310-H328 IonicContact OE2-CG 3.97Å; C311-H328 PolarHBondContact SG-NE2 3.11Å; C311-H328 VanDerWaalsContact SG-NE2 3.41Å; H324-H328 AromaticContact CE1-NE2 3.83Å; H324-H328 AromaticContact NE2-NE2 3.4Å; H324-H328 PolarHBondContact NE2-NE2 3.11Å; Q325-H328 PolarHBondContact O-N 3.41Å; H328-G330 PolarHBondContact O-N 3.37Å
329	T	73.3	Confident	75.9	Confident	80 Å²	80	73.3 Å²	73.3	49%	0.491	39%	0.387	S	S	.	.	S	Bend	trans	-73.3	-10.5	177.2	64.8	0	0	0	0	113.9	Q325 E331	Q325-T329 PolarHBondContact O-N 3.09Å; Q325-T329 PolarHBondContact O-OG1 3.12Å; T329-E331 PolarHBondContact O-N 2.82Å; T329-E331 WeakPolarHBondContact OG1-CG 3.49Å
330	G	72.8	Confident	75.7	Confident	42 Å²	42	72.1 Å²	72.1	43%	0.433	39%	0.393	S	S	.	.			trans	69.9	3.6	-176.5	0	0	0	0	0	115.1	R326 H328 K332	R326-G330 CarbonylContact O-C 3.4Å; R326-G330 WeakPolarHBondContact O-CA 3.29Å; R326-G330 PolarHBondContact O-N 3.03Å; H328-G330 PolarHBondContact O-N 3.37Å; G330-K332 PolarHBondContact O-N 2.86Å
331	E	73.6	Confident	75.3	Confident	103 Å²	103	74.8 Å²	74.8	48%	0.481	40%	0.403	S	S	.	.			trans	-54.8	122.8	-176.5	-87.4	-174.8	-164.8	0	0	112.9	R326 T329 S344	R326-E331 HydrophobicContact CB-CB 4.11Å; R326-E331 HydrophobicContact CG-CB 3.88Å; R326-E331 IonicContact NE-OE2 2.91Å; R326-E331 PolarHBondContact O-N 3.24Å; T329-E331 PolarHBondContact O-N 2.82Å; T329-E331 WeakPolarHBondContact OG1-CG 3.49Å; E331-S344 VanDerWaalsContact O-CB 3.31Å; E331-S344 WeakPolarHBondContact O-CB 3.12Å
332	K	79.5	Confident	75.2	Confident	125 Å²	125	75.7 Å²	75.7	54%	0.543	41%	0.413	S	S	.	.			trans	-127.1	73.7	177.5	-72.7	160.9	-179.7	174.3	0	111	G330 Y334 A342 F343	G330-K332 PolarHBondContact O-N 2.86Å; K332-Y334 PolarHBondContact O-N 3.37Å; K332-A342 HydrophobicContact CB-CB 3.57Å; K332-A342 HydrophobicContact CD-CB 4.14Å; K332-A342 WeakPolarHBondContact CD-O 3.3Å; K332-A342 HydrophobicContact CG-CB 4.39Å; K332-F343 CarbonylContact C-O 3.59Å; K332-F343 VanDerWaalsContact CA-O 3.29Å; K332-F343 WeakPolarHBondContact CA-O 3.49Å
333	P	81.2	Confident	75.3	Confident	69 Å²	69	75 Å²	75	45%	0.448	41%	0.405	S	S	.	.			trans	-68.6	-4.2	-169.9	-20.5	34.6	0	0	0	115.7
334	Y	80.5	Confident	75.4	Confident	73 Å²	73	73.2 Å²	73.2	29%	0.286	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	92.4	-176.9	-55	-78.5	0	0	0	110	K332 A342 F343 Q345 R346 F349	K332-Y334 PolarHBondContact O-N 3.37Å; Y334-A342 WeakPolarHBondContact O-CA 3.21Å; Y334-F343 WeakPolarHBondContact CD2-O 3.2Å; Y334-F343 PolarHBondContact N-O 3.2Å; Y334-F343 VanDerWaalsContact N-O 3.12Å; Y334-F343 PolarHBondContact O-N 2.88Å; Y334-Q345 VanDerWaalsContact CD2-C 3.46Å; Y334-R346 HydrophobicContact CD1-CB 4.13Å; Y334-R346 HydrophobicContact CD1-CG 4.15Å; Y334-R346 HydrophobicContact CD2-CB 4.45Å; Y334-R346 HydrophobicContact CE1-CB 3.72Å; Y334-R346 HydrophobicContact CE1-CG 3.87Å; Y334-R346 HydrophobicContact CE2-CB 4.07Å; Y334-R346 HydrophobicContact CG-CB 4.48Å; Y334-F349 HydrophobicContact CD1-CD1 4.5Å; Y334-F349 HydrophobicContact CG-CB 4.34Å
335	T	70.3	Confident	75.5	Confident	78 Å²	78	75.1 Å²	75.1	48%	0.479	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.9	-179.8	47.1	0	0	0	0	112	A342 F349	T335-A342 HydrophobicContact CG2-CB 3.86Å; T335-F349 WeakPolarHBondContact O-CE2 3.27Å
336	C	79.4	Confident	75.5	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.007	43%	0.426	C	S	.	.			trans	-85.6	112.8	170.5	178.9	0	0	0	0	110.8	E338 C339 G340 K341 F349 H356	C336-E338 PolarHBondContact O-N 3.1Å; C336-C339 PolarHBondContact O-N 3.05Å; C336-C339 VanDerWaalsContact SG-SG 3.69Å; C336-G340 VanDerWaalsContact O-CA 3.28Å; C336-G340 WeakPolarHBondContact O-CA 3.22Å; C336-G340 PolarHBondContact O-N 3.48Å; C336-K341 VanDerWaalsContact CB-O 3.31Å; C336-K341 WeakPolarHBondContact CB-O 3.27Å; C336-K341 PolarHBondContact N-O 3.37Å; C336-F349 HydrophobicContact CB-CE2 3.98Å; C336-H356 VanDerWaalsContact SG-CD2 3.52Å; C336-H356 PolarHBondContact SG-NE2 2.84Å
337	N	75.1	Confident	75.1	Confident	154 Å²	154	79.9 Å²	79.9	82%	0.824	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.1	-179.9	-60.9	-7.7	0	0	0	112.9
338	E	70.6	Confident	75.4	Confident	113 Å²	113	78.3 Å²	78.3	53%	0.528	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-23.2	-176	-61.3	154.9	121	0	0	113.3	C336 H356	C336-E338 PolarHBondContact O-N 3.1Å; E338-H356 IonicContact OE2-CD2 3.64Å; E338-H356 PolarHBondContact OE2-CD2 3.36Å; E338-H356 VanDerWaalsContact OE2-CD2 3.25Å; E338-H356 IonicContact OE2-CG 2.67Å
339	C	68.6	Low	75.7	Confident	55 Å²	55	75.9 Å²	75.9	37%	0.372	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.1	9.7	-179.1	78.1	0	0	0	0	115.7	C336 K341 H352 H356	C336-C339 PolarHBondContact O-N 3.05Å; C336-C339 VanDerWaalsContact SG-SG 3.69Å; C339-K341 PolarHBondContact O-N 3.28Å; C339-H352 PolarHBondContact SG-NE2 3.18Å; C339-H356 VanDerWaalsContact SG-CE1 3.58Å; C339-H356 PolarHBondContact SG-NE2 2.93Å
340	G	71.9	Confident	75.7	Confident	63 Å²	63	76.5 Å²	76.5	65%	0.649	42%	0.418	S	S	*	.			trans	71.1	-7.5	178.6	0	0	0	0	0	116	C336 A342	C336-G340 VanDerWaalsContact O-CA 3.28Å; C336-G340 WeakPolarHBondContact O-CA 3.22Å; C336-G340 PolarHBondContact O-N 3.48Å; G340-A342 PolarHBondContact O-N 3.4Å
341	K	70.1	Confident	75.6	Confident	129 Å²	129	77.3 Å²	77.3	56%	0.561	41%	0.41	S	S	*	.			trans	-67.8	127.3	-177.1	-70.7	-178.7	-179.5	178.1	0	111.6	C336 C339 F343	C336-K341 VanDerWaalsContact CB-O 3.31Å; C336-K341 WeakPolarHBondContact CB-O 3.27Å; C336-K341 PolarHBondContact N-O 3.37Å; C339-K341 PolarHBondContact O-N 3.28Å; K341-F343 HydrophobicContact CB-CE2 3.79Å; K341-F343 HydrophobicContact CB-CZ 4.08Å; K341-F343 WeakPolarHBondContact O-CE2 3.28Å
342	A	80.1	Confident	75.7	Confident	37 Å²	37	73.2 Å²	73.2	31%	0.306	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.9	-177.5	0	0	0	0	0	111.9	K332 Y334 T335 G340	K332-A342 HydrophobicContact CB-CB 3.57Å; K332-A342 HydrophobicContact CD-CB 4.14Å; K332-A342 WeakPolarHBondContact CD-O 3.3Å; K332-A342 HydrophobicContact CG-CB 4.39Å; Y334-A342 WeakPolarHBondContact O-CA 3.21Å; T335-A342 HydrophobicContact CG2-CB 3.86Å; G340-A342 PolarHBondContact O-N 3.4Å
343	F	80.5	Confident	75.3	Confident	48 Å²	48	70.2 Å²	70.2	21%	0.211	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.5	-173.9	-59.1	-98.4	0	0	0	111.2	K332 Y334 K341 Q345 H348 F349 H352	K332-F343 CarbonylContact C-O 3.59Å; K332-F343 VanDerWaalsContact CA-O 3.29Å; K332-F343 WeakPolarHBondContact CA-O 3.49Å; Y334-F343 WeakPolarHBondContact CD2-O 3.2Å; Y334-F343 PolarHBondContact N-O 3.2Å; Y334-F343 VanDerWaalsContact N-O 3.12Å; Y334-F343 PolarHBondContact O-N 2.88Å; K341-F343 HydrophobicContact CB-CE2 3.79Å; K341-F343 HydrophobicContact CB-CZ 4.08Å; K341-F343 WeakPolarHBondContact O-CE2 3.28Å; F343-Q345 VanDerWaalsContact C-N 3.3Å; F343-H348 HydrophobicContact CD1-CB 4.1Å; F343-F349 HydrophobicContact CB-CB 4.18Å; F343-F349 HydrophobicContact CD2-CB 4.3Å; F343-F349 AromaticContact CD2-CD2 3.95Å; F343-F349 HydrophobicContact CD2-CD2 3.95Å; F343-F349 HydrophobicContact CE2-CD2 4.45Å; F343-F349 HydrophobicContact CG-CB 4.33Å; F343-H352 HydrophobicContact CE1-CB 4.04Å; F343-H352 HydrophobicContact CE2-CB 3.95Å; F343-H352 AromaticContact CE2-CD2 3.29Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.43Å; F343-H352 AromaticContact CE2-CG 3.69Å; F343-H352 HydrophobicContact CZ-CB 3.52Å; F343-H352 AromaticContact CZ-CD2 3.41Å; F343-H352 VanDerWaalsContact CZ-CD2 3.41Å; F343-H352 WeakPolarHBondContact CZ-CD2 3.47Å; F343-H352 AromaticContact CZ-CG 3.32Å
344	S	78.9	Confident	74.9	Confident	32 Å²	32	70.6 Å²	70.6	22%	0.224	37%	0.373	C	S	.	.	S	Bend	trans	-79.5	-10.9	177	55.2	0	0	0	0	113.9	R326 E331	R326-S344 PolarHBondContact NH1-O 3.44Å; E331-S344 VanDerWaalsContact O-CB 3.31Å; E331-S344 WeakPolarHBondContact O-CB 3.12Å
345	Q	80.4	Confident	74.2	Confident	63 Å²	63	72.2 Å²	72.2	29%	0.294	39%	0.386	S	S	.	.	S	Bend	trans	-134.4	136.3	-174.8	-49.2	-169.3	35.1	0	0	112.2	Q323 Y334 F343 G347 F349	Q323-Q345 HydrophobicContact CG-CG 4.47Å; Q323-Q345 VanDerWaalsContact NE2-CD 3.28Å; Y334-Q345 VanDerWaalsContact CD2-C 3.46Å; F343-Q345 VanDerWaalsContact C-N 3.3Å; Q345-G347 VanDerWaalsContact C-N 3.33Å; Q345-G347 PolarHBondContact O-N 2.81Å; Q345-F349 PolarHBondContact O-N 2.86Å
346	R	75.4	Confident	74.1	Confident	165 Å²	165	71.9 Å²	71.9	62%	0.623	38%	0.379	S	S	*	.	H	α-helix	trans	-63.1	-35.8	178.9	-166	175.1	178.5	175.7	0.4	113	Y334 F349 M350	Y334-R346 HydrophobicContact CD1-CB 4.13Å; Y334-R346 HydrophobicContact CD1-CG 4.15Å; Y334-R346 HydrophobicContact CD2-CB 4.45Å; Y334-R346 HydrophobicContact CE1-CB 3.72Å; Y334-R346 HydrophobicContact CE1-CG 3.87Å; Y334-R346 HydrophobicContact CE2-CB 4.07Å; Y334-R346 HydrophobicContact CG-CB 4.48Å; R346-F349 WeakPolarHBondContact O-CB 3.5Å; R346-F349 PolarHBondContact O-N 3.1Å; R346-M350 HydrophobicContact CG-CG 4.26Å; R346-M350 VanDerWaalsContact O-CG 3.3Å; R346-M350 WeakPolarHBondContact O-CG 3.41Å; R346-M350 PolarHBondContact O-N 3.48Å
347	G	74.4	Confident	73.3	Confident	51 Å²	51	75.8 Å²	75.8	53%	0.526	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-53.8	-180	0	0	0	0	0	112.5	Q345 F349 M350 E351	Q345-G347 VanDerWaalsContact C-N 3.33Å; Q345-G347 PolarHBondContact O-N 2.81Å; G347-F349 VanDerWaalsContact C-N 3.28Å; G347-F349 PolarHBondContact O-N 2.75Å; G347-M350 PolarHBondContact O-N 3.43Å; G347-E351 WeakPolarHBondContact O-CB 3.49Å; G347-E351 PolarHBondContact O-N 3.23Å
348	H	76.3	Confident	72.6	Confident	87 Å²	87	70.9 Å²	70.9	40%	0.403	39%	0.388	S	S	.	.	H	α-helix	trans	-66	-28.8	177.4	-60.3	-44.3	0	0	0	113.3	F343 E351 H352	F343-H348 HydrophobicContact CD1-CB 4.1Å; H348-E351 IonicContact ND1-OE2 2.63Å; H348-E351 PolarHBondContact ND1-OE2 2.72Å; H348-E351 VanDerWaalsContact ND1-OE2 3.15Å; H348-H352 VanDerWaalsContact O-CB 3.26Å; H348-H352 WeakPolarHBondContact O-CB 3.46Å; H348-H352 PolarHBondContact O-N 2.87Å
349	F	77.9	Confident	72	Confident	26 Å²	26	70.4 Å²	70.4	11%	0.114	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-49.9	171.3	173.8	-112.6	0	0	0	112.1	Y334 T335 C336 F343 Q345 R346 G347 E351 H352 Q353	Y334-F349 HydrophobicContact CD1-CD1 4.5Å; Y334-F349 HydrophobicContact CG-CB 4.34Å; T335-F349 WeakPolarHBondContact O-CE2 3.27Å; C336-F349 HydrophobicContact CB-CE2 3.98Å; F343-F349 HydrophobicContact CB-CB 4.18Å; F343-F349 HydrophobicContact CD2-CB 4.3Å; F343-F349 AromaticContact CD2-CD2 3.95Å; F343-F349 HydrophobicContact CD2-CD2 3.95Å; F343-F349 HydrophobicContact CE2-CD2 4.45Å; F343-F349 HydrophobicContact CG-CB 4.33Å; Q345-F349 PolarHBondContact O-N 2.86Å; R346-F349 WeakPolarHBondContact O-CB 3.5Å; R346-F349 PolarHBondContact O-N 3.1Å; G347-F349 VanDerWaalsContact C-N 3.28Å; G347-F349 PolarHBondContact O-N 2.75Å; F349-E351 VanDerWaalsContact C-N 3.28Å; F349-E351 PolarHBondContact O-N 3.14Å; F349-H352 WeakPolarHBondContact O-CB 3.39Å; F349-H352 PolarHBondContact O-N 3.17Å; F349-H352 VanDerWaalsContact O-N 3.09Å; F349-Q353 HydrophobicContact CD2-CG 4.45Å; F349-Q353 HydrophobicContact CE1-CG 4.29Å; F349-Q353 HydrophobicContact CE2-CG 3.94Å; F349-Q353 VanDerWaalsContact CZ-CD 3.44Å; F349-Q353 HydrophobicContact CZ-CG 3.86Å; F349-Q353 PolarHBondContact O-N 3.46Å
350	M	73.3	Confident	71.9	Confident	93 Å²	93	73 Å²	73	46%	0.458	39%	0.391	S	S	.	.	H	α-helix	trans	-63.6	-34.2	176	-61.4	-63.9	-54.7	0	0	112	R346 G347	R346-M350 HydrophobicContact CG-CG 4.26Å; R346-M350 VanDerWaalsContact O-CG 3.3Å; R346-M350 WeakPolarHBondContact O-CG 3.41Å; R346-M350 PolarHBondContact O-N 3.48Å; G347-M350 PolarHBondContact O-N 3.43Å
351	E	69.8	Low	71.9	Confident	58 Å²	58	73.7 Å²	73.7	27%	0.271	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-39.2	171.7	-176.9	179.5	-167.4	0	0	111.6	G347 H348 F349 R373	G347-E351 WeakPolarHBondContact O-CB 3.49Å; G347-E351 PolarHBondContact O-N 3.23Å; H348-E351 IonicContact ND1-OE2 2.63Å; H348-E351 PolarHBondContact ND1-OE2 2.72Å; H348-E351 VanDerWaalsContact ND1-OE2 3.15Å; F349-E351 VanDerWaalsContact C-N 3.28Å; F349-E351 PolarHBondContact O-N 3.14Å; E351-R373 WeakPolarHBondContact OE1-CD 3.18Å; E351-R373 IonicContact OE1-CZ 3.3Å; E351-R373 IonicContact OE1-NE 3.2Å; E351-R373 IonicContact OE1-NH1 3.3Å; E351-R373 PolarHBondContact OE1-NH1 3.21Å; E351-R373 IonicContact OE2-NH1 3.6Å
352	H	76.1	Confident	72	Confident	18 Å²	18	70.9 Å²	70.9	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-70.7	-39.5	177.7	175.1	53.5	0	0	0	113.3	C339 F343 H348 F349 K354 I355 H356	C339-H352 PolarHBondContact SG-NE2 3.18Å; F343-H352 HydrophobicContact CE1-CB 4.04Å; F343-H352 HydrophobicContact CE2-CB 3.95Å; F343-H352 AromaticContact CE2-CD2 3.29Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.43Å; F343-H352 AromaticContact CE2-CG 3.69Å; F343-H352 HydrophobicContact CZ-CB 3.52Å; F343-H352 AromaticContact CZ-CD2 3.41Å; F343-H352 VanDerWaalsContact CZ-CD2 3.41Å; F343-H352 WeakPolarHBondContact CZ-CD2 3.47Å; F343-H352 AromaticContact CZ-CG 3.32Å; H348-H352 VanDerWaalsContact O-CB 3.26Å; H348-H352 WeakPolarHBondContact O-CB 3.46Å; H348-H352 PolarHBondContact O-N 2.87Å; F349-H352 WeakPolarHBondContact O-CB 3.39Å; F349-H352 PolarHBondContact O-N 3.17Å; F349-H352 VanDerWaalsContact O-N 3.09Å; H352-K354 PolarHBondContact O-N 3.22Å; H352-I355 VanDerWaalsContact O-CB 3.25Å; H352-I355 WeakPolarHBondContact O-CB 3.14Å; H352-I355 WeakPolarHBondContact O-CG1 3.49Å; H352-I355 PolarHBondContact O-N 3.47Å; H352-H356 AromaticContact CD2-NE2 3.84Å; H352-H356 AromaticContact CE1-CE1 3.64Å; H352-H356 AromaticContact CE1-NE2 3.31Å; H352-H356 PolarHBondContact CE1-NE2 3.44Å; H352-H356 VanDerWaalsContact CE1-NE2 3.31Å; H352-H356 AromaticContact NE2-CE1 3.73Å; H352-H356 AromaticContact NE2-NE2 3.02Å; H352-H356 PolarHBondContact NE2-NE2 3.29Å
353	Q	70.1	Confident	71.6	Confident	61 Å²	61	75 Å²	75	29%	0.285	38%	0.383	S	S	.	.	H	α-helix	trans	-59.1	-30.8	178.9	-71.1	-168	-84	0	0	112.8	F349 I355 H356 T357	F349-Q353 HydrophobicContact CD2-CG 4.45Å; F349-Q353 HydrophobicContact CE1-CG 4.29Å; F349-Q353 HydrophobicContact CE2-CG 3.94Å; F349-Q353 VanDerWaalsContact CZ-CD 3.44Å; F349-Q353 HydrophobicContact CZ-CG 3.86Å; F349-Q353 PolarHBondContact O-N 3.46Å; Q353-I355 PolarHBondContact O-N 3.35Å; Q353-I355 VanDerWaalsContact O-N 3.1Å; Q353-H356 PolarHBondContact O-N 3.38Å; Q353-T357 PolarHBondContact O-N 2.56Å
354	K	72.6	Confident	71.4	Confident	77 Å²	77	73.1 Å²	73.1	34%	0.335	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-15.7	174.2	-65.3	-174.9	176.3	-163.5	0	114.5	H352 T357 G358 E359	H352-K354 PolarHBondContact O-N 3.22Å; K354-T357 WeakPolarHBondContact CA-OG1 3.25Å; K354-G358 PolarHBondContact O-N 3.16Å; K354-E359 HydrophobicContact CB-CB 4.48Å; K354-E359 PolarHBondContact O-N 3.17Å
355	I	67.1	Low	71	Confident	108 Å²	108	77 Å²	77	55%	0.554	39%	0.394	S	S	*	.	H	α-helix	trans	-75	-34	174	-54.7	-179	0	0	0	110.5	H352 Q353	H352-I355 VanDerWaalsContact O-CB 3.25Å; H352-I355 WeakPolarHBondContact O-CB 3.14Å; H352-I355 WeakPolarHBondContact O-CG1 3.49Å; H352-I355 PolarHBondContact O-N 3.47Å; Q353-I355 PolarHBondContact O-N 3.35Å; Q353-I355 VanDerWaalsContact O-N 3.1Å
356	H	67.6	Low	70.5	Confident	70 Å²	70	79 Å²	79	32%	0.324	40%	0.404	S	S	.	.	H	α-helix	trans	-85	-37.6	-179.6	-52.4	-49.6	0	0	0	112.4	C336 E338 C339 H352 Q353 G358	C336-H356 VanDerWaalsContact SG-CD2 3.52Å; C336-H356 PolarHBondContact SG-NE2 2.84Å; E338-H356 IonicContact OE2-CD2 3.64Å; E338-H356 PolarHBondContact OE2-CD2 3.36Å; E338-H356 VanDerWaalsContact OE2-CD2 3.25Å; E338-H356 IonicContact OE2-CG 2.67Å; C339-H356 VanDerWaalsContact SG-CE1 3.58Å; C339-H356 PolarHBondContact SG-NE2 2.93Å; H352-H356 AromaticContact CD2-NE2 3.84Å; H352-H356 AromaticContact CE1-CE1 3.64Å; H352-H356 AromaticContact CE1-NE2 3.31Å; H352-H356 PolarHBondContact CE1-NE2 3.44Å; H352-H356 VanDerWaalsContact CE1-NE2 3.31Å; H352-H356 AromaticContact NE2-CE1 3.73Å; H352-H356 AromaticContact NE2-NE2 3.02Å; H352-H356 PolarHBondContact NE2-NE2 3.29Å; Q353-H356 PolarHBondContact O-N 3.38Å; H356-G358 PolarHBondContact O-N 3.38Å
357	T	63.2	Low	70.4	Confident	83 Å²	83	72.7 Å²	72.7	51%	0.509	39%	0.385	S	S	.	.	S	Bend	trans	-69.6	-8.7	173.3	63.9	0	0	0	0	113.3	Q353 K354 E359	Q353-T357 PolarHBondContact O-N 2.56Å; K354-T357 WeakPolarHBondContact CA-OG1 3.25Å; T357-E359 PolarHBondContact O-N 2.9Å; T357-E359 WeakPolarHBondContact OG1-CG 3.26Å
358	G	60	Low	70.2	Confident	51 Å²	51	78.1 Å²	78.1	53%	0.526	40%	0.401	S	S	.	.			trans	71.1	0.8	-175.9	0	0	0	0	0	114.5	K354 H356 K360	K354-G358 PolarHBondContact O-N 3.16Å; H356-G358 PolarHBondContact O-N 3.38Å; G358-K360 PolarHBondContact O-N 3.11Å
359	E	58.8	Low	69.7	Low	104 Å²	104	79.5 Å²	79.5	49%	0.486	41%	0.406	S	S	.	.			trans	-64.3	103.8	-177.6	-76	-176	-177.9	0	0	111.9	K354 T357 P361	K354-E359 HydrophobicContact CB-CB 4.48Å; K354-E359 PolarHBondContact O-N 3.17Å; T357-E359 PolarHBondContact O-N 2.9Å; T357-E359 WeakPolarHBondContact OG1-CG 3.26Å; E359-P361 WeakPolarHBondContact O-CD 3.23Å
360	K	65.3	Low	69.3	Low	108 Å²	108	81 Å²	81	47%	0.47	42%	0.418	S	S	.	.			trans	-120.6	76.9	169.8	-61.4	174.3	177.2	-175	0	109.7	G358 F362 T370 F371 T372	G358-K360 PolarHBondContact O-N 3.11Å; K360-F362 PolarHBondContact O-N 3.16Å; K360-T370 WeakPolarHBondContact CD-OG1 3.42Å; K360-T370 PolarHBondContact NZ-OG1 2.95Å; K360-F371 CarbonylContact C-O 3.59Å; K360-F371 WeakPolarHBondContact CA-O 3.31Å; K360-T372 HydrophobicContact CG-CG2 4.24Å
361	P	72	Confident	69.4	Low	79 Å²	79	78.8 Å²	78.8	51%	0.513	41%	0.405	S	S	.	.			trans	-64.2	-16.5	-172.3	-21.7	34.4	0	0	0	114	E359	E359-P361 WeakPolarHBondContact O-CD 3.23Å
362	F	72.9	Confident	69.3	Low	70 Å²	70	77.9 Å²	77.9	31%	0.307	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	80.5	-172.3	-51	-74.8	0	0	0	109.2	K360 F371 R373 S374 L377	K360-F362 PolarHBondContact O-N 3.16Å; F362-F371 HydrophobicContact CB-CB 4.24Å; F362-F371 PolarHBondContact N-O 3.18Å; F362-F371 PolarHBondContact O-N 3.1Å; F362-R373 VanDerWaalsContact CD2-C 3.42Å; F362-S374 VanDerWaalsContact CD2-N 3.27Å; F362-L377 HydrophobicContact CB-CB 3.99Å; F362-L377 HydrophobicContact CB-CD2 3.77Å
363	K	70.2	Confident	69	Low	123 Å²	123	81.5 Å²	81.5	54%	0.535	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	149.2	168.3	57.6	164.3	-178.8	138.6	0	110.7	D365 T370 L377	K363-D365 VanDerWaalsContact CE-OD1 3.28Å; K363-D365 WeakPolarHBondContact CE-OD1 3.45Å; K363-D365 IonicContact NZ-OD1 3.99Å; K363-D365 PolarHBondContact NZ-OD1 3.04Å; K363-T370 HydrophobicContact CB-CG2 4.06Å; K363-L377 WeakPolarHBondContact O-CD1 3.29Å; K363-L377 WeakPolarHBondContact O-CD2 3.09Å
364	C	76.5	Confident	69.1	Low	9 Å²	9	81.3 Å²	81.3	6%	0.061	42%	0.423	C	S	.	.			trans	-87.2	138.2	160.6	-176	0	0	0	0	108.7	C367 K369 L377	C364-C367 WeakPolarHBondContact CB-O 3.46Å; C364-C367 VanDerWaalsContact O-O 3.05Å; C364-K369 WeakPolarHBondContact CB-O 3.02Å; C364-K369 PolarHBondContact N-O 3.06Å; C364-L377 HydrophobicContact CB-CD1 3.69Å
365	D	72.1	Confident	68.9	Low	113 Å²	113	81.4 Å²	81.4	60%	0.604	43%	0.43	S	S	*	.	S	Bend	trans	-87.5	-9.7	179.5	-58.1	-71.1	0	0	0	112.6	K363	K363-D365 VanDerWaalsContact CE-OD1 3.28Å; K363-D365 WeakPolarHBondContact CE-OD1 3.45Å; K363-D365 IonicContact NZ-OD1 3.99Å; K363-D365 PolarHBondContact NZ-OD1 3.04Å
366	E	68.6	Low	69.1	Low	106 Å²	106	79.5 Å²	79.5	50%	0.495	42%	0.418	S	S	.	.	S	Bend	trans	-101.8	-13.4	179.4	-63.1	171.2	-88.6	0	0	113.5	H384	E366-H384 HydrophobicContact CB-CB 4.48Å; E366-H384 IonicContact OE1-CD2 3.57Å; E366-H384 IonicContact OE1-CG 2.67Å; E366-H384 WeakPolarHBondContact OE2-CB 3.45Å; E366-H384 IonicContact OE2-CG 3.7Å
367	C	73.8	Confident	69.4	Low	32 Å²	32	77 Å²	77	22%	0.216	41%	0.407	C	S	.	.	S	Bend	trans	-161.8	163.9	167.9	74	0	0	0	0	112.6	C364 K369 H380 H384	C364-C367 WeakPolarHBondContact CB-O 3.46Å; C364-C367 VanDerWaalsContact O-O 3.05Å; C367-K369 PolarHBondContact O-N 3.13Å; C367-H380 PolarHBondContact SG-NE2 3.32Å; C367-H380 VanDerWaalsContact SG-NE2 3.35Å; C367-H384 VanDerWaalsContact CB-NE2 3.32Å; C367-H384 WeakPolarHBondContact CB-NE2 3.4Å; C367-H384 PolarHBondContact SG-NE2 3.18Å
368	D	70.8	Confident	69.7	Low	165 Å²	165	76.3 Å²	76.3	88%	0.882	40%	0.403	S	S	*	.	S	Bend	trans	-64	11.2	-174.6	-52.8	-57.7	0	0	0	116.5	T370	D368-T370 PolarHBondContact O-N 2.94Å
369	K	65.5	Low	70	Confident	116 Å²	116	78.5 Å²	78.5	50%	0.504	40%	0.399	S	S	.	.			trans	-78.6	118.3	179.8	-69.4	172.7	-169.5	150.4	0	110.2	C364 C367 F371 H380	C364-K369 WeakPolarHBondContact CB-O 3.02Å; C364-K369 PolarHBondContact N-O 3.06Å; C367-K369 PolarHBondContact O-N 3.13Å; K369-F371 HydrophobicContact CB-CE2 3.62Å; K369-F371 HydrophobicContact CB-CZ 3.84Å; K369-F371 VanDerWaalsContact O-CE2 3.29Å; K369-F371 WeakPolarHBondContact O-CE2 3.21Å; K369-H380 WeakPolarHBondContact CD-NE2 3.45Å
370	T	70.1	Confident	70.6	Confident	58 Å²	58	74 Å²	74	36%	0.356	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.7	-178	43.1	0	0	0	0	110.5	K360 K363 D368	K360-T370 WeakPolarHBondContact CD-OG1 3.42Å; K360-T370 PolarHBondContact NZ-OG1 2.95Å; K363-T370 HydrophobicContact CB-CG2 4.06Å; D368-T370 PolarHBondContact O-N 2.94Å
371	F	75.6	Confident	70.7	Confident	45 Å²	45	71.7 Å²	71.7	20%	0.197	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.2	-170.5	-59.7	-95.4	0	0	0	112.1	K360 F362 K369 R373 H376 L377 H380	K360-F371 CarbonylContact C-O 3.59Å; K360-F371 WeakPolarHBondContact CA-O 3.31Å; F362-F371 HydrophobicContact CB-CB 4.24Å; F362-F371 PolarHBondContact N-O 3.18Å; F362-F371 PolarHBondContact O-N 3.1Å; K369-F371 HydrophobicContact CB-CE2 3.62Å; K369-F371 HydrophobicContact CB-CZ 3.84Å; K369-F371 VanDerWaalsContact O-CE2 3.29Å; K369-F371 WeakPolarHBondContact O-CE2 3.21Å; F371-R373 VanDerWaalsContact C-N 3.29Å; F371-H376 HydrophobicContact CD1-CB 3.77Å; F371-H376 HydrophobicContact CE1-CB 4.47Å; F371-H376 HydrophobicContact CG-CB 4.45Å; F371-L377 HydrophobicContact CB-CB 4.37Å; F371-L377 HydrophobicContact CD2-CB 4.09Å; F371-L377 HydrophobicContact CD2-CD1 4.07Å; F371-L377 HydrophobicContact CE2-CD1 4.3Å; F371-L377 HydrophobicContact CG-CB 4.32Å; F371-H380 HydrophobicContact CE1-CB 4.15Å; F371-H380 HydrophobicContact CE2-CB 4.11Å; F371-H380 AromaticContact CE2-CD2 3.26Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.21Å; F371-H380 AromaticContact CE2-CG 3.91Å; F371-H380 HydrophobicContact CZ-CB 3.6Å; F371-H380 AromaticContact CZ-CD2 3.26Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.38Å; F371-H380 AromaticContact CZ-CG 3.48Å; F371-H380 VanDerWaalsContact CZ-CG 3.48Å
372	T	66.8	Low	70.5	Confident	40 Å²	40	71.4 Å²	71.4	25%	0.245	36%	0.36	C	S	.	.	S	Bend	trans	-78.9	-11	173.8	52.3	0	0	0	0	113.2	K360	K360-T372 HydrophobicContact CG-CG2 4.24Å
373	R	70.2	Confident	70	Confident	93 Å²	93	73.1 Å²	73.1	35%	0.351	37%	0.371	S	S	.	.			trans	-141.9	131.3	-175.8	-80.3	169.8	52.6	169.1	-0.2	112.5	E351 F362 F371 T375 H376 L377	E351-R373 WeakPolarHBondContact OE1-CD 3.18Å; E351-R373 IonicContact OE1-CZ 3.3Å; E351-R373 IonicContact OE1-NE 3.2Å; E351-R373 IonicContact OE1-NH1 3.3Å; E351-R373 PolarHBondContact OE1-NH1 3.21Å; E351-R373 IonicContact OE2-NH1 3.6Å; F362-R373 VanDerWaalsContact CD2-C 3.42Å; F371-R373 VanDerWaalsContact C-N 3.29Å; R373-T375 VanDerWaalsContact C-N 3.28Å; R373-T375 PolarHBondContact NE-OG1 3.42Å; R373-T375 PolarHBondContact NH2-OG1 3.1Å; R373-T375 PolarHBondContact O-N 2.86Å; R373-H376 PolarHBondContact O-N 2.81Å; R373-L377 PolarHBondContact O-N 2.9Å
374	S	71.3	Confident	69.6	Low	58 Å²	58	71.2 Å²	71.2	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-48.1	-47.6	170.5	168.9	0	0	0	0	112.1	F362 H376 L377 T378	F362-S374 VanDerWaalsContact CD2-N 3.27Å; S374-H376 PolarHBondContact O-N 2.97Å; S374-L377 CarbonylContact O-C 3.55Å; S374-L377 WeakPolarHBondContact O-CA 3.49Å; S374-L377 WeakPolarHBondContact O-CB 3.46Å; S374-L377 PolarHBondContact O-N 3.37Å; S374-T378 PolarHBondContact O-N 2.86Å; S374-T378 PolarHBondContact O-OG1 3.12Å
375	T	69.1	Low	68.8	Low	78 Å²	78	74.4 Å²	74.4	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-55.3	-31.1	-179.9	60.5	0	0	0	0	114.4	R373 Q379	R373-T375 VanDerWaalsContact C-N 3.28Å; R373-T375 PolarHBondContact NE-OG1 3.42Å; R373-T375 PolarHBondContact NH2-OG1 3.1Å; R373-T375 PolarHBondContact O-N 2.86Å; T375-Q379 WeakPolarHBondContact O-CB 3.37Å; T375-Q379 PolarHBondContact O-N 3.25Å
376	H	71.2	Confident	68.2	Low	68 Å²	68	71 Å²	71	32%	0.315	38%	0.376	S	S	.	.	H	α-helix	trans	-86.1	-30.3	177.9	-58.3	156.7	0	0	0	112.1	F371 R373 S374 H380	F371-H376 HydrophobicContact CD1-CB 3.77Å; F371-H376 HydrophobicContact CE1-CB 4.47Å; F371-H376 HydrophobicContact CG-CB 4.45Å; R373-H376 PolarHBondContact O-N 2.81Å; S374-H376 PolarHBondContact O-N 2.97Å; H376-H380 VanDerWaalsContact O-CB 3.25Å; H376-H380 WeakPolarHBondContact O-CB 3.46Å; H376-H380 PolarHBondContact O-N 3.46Å
377	L	74.8	Confident	67.7	Low	17 Å²	17	71.4 Å²	71.4	9%	0.089	38%	0.377	C	S	.	.	H	α-helix	trans	-63.6	-49.8	168.4	171.5	62.2	0	0	0	110.7	F362 K363 C364 F371 R373 S374 Q379 H380 Q381	F362-L377 HydrophobicContact CB-CB 3.99Å; F362-L377 HydrophobicContact CB-CD2 3.77Å; K363-L377 WeakPolarHBondContact O-CD1 3.29Å; K363-L377 WeakPolarHBondContact O-CD2 3.09Å; C364-L377 HydrophobicContact CB-CD1 3.69Å; F371-L377 HydrophobicContact CB-CB 4.37Å; F371-L377 HydrophobicContact CD2-CB 4.09Å; F371-L377 HydrophobicContact CD2-CD1 4.07Å; F371-L377 HydrophobicContact CE2-CD1 4.3Å; F371-L377 HydrophobicContact CG-CB 4.32Å; R373-L377 PolarHBondContact O-N 2.9Å; S374-L377 CarbonylContact O-C 3.55Å; S374-L377 WeakPolarHBondContact O-CA 3.49Å; S374-L377 WeakPolarHBondContact O-CB 3.46Å; S374-L377 PolarHBondContact O-N 3.37Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 3.09Å; L377-H380 CarbonylContact O-C 3.55Å; L377-H380 WeakPolarHBondContact O-CA 2.88Å; L377-H380 WeakPolarHBondContact O-CB 3.18Å; L377-H380 PolarHBondContact O-N 3.16Å; L377-Q381 HydrophobicContact CD1-CG 3.96Å; L377-Q381 HydrophobicContact CG-CG 4.37Å; L377-Q381 WeakPolarHBondContact O-CG 3.33Å; L377-Q381 PolarHBondContact O-N 3.4Å
378	T	68.9	Low	66.8	Low	69 Å²	69	75.2 Å²	75.2	42%	0.423	39%	0.39	S	S	.	.	H	α-helix	trans	-61.1	-40.2	178.7	-46.9	0	0	0	0	112	S374 H380 K382	S374-T378 PolarHBondContact O-N 2.86Å; S374-T378 PolarHBondContact O-OG1 3.12Å; T378-H380 VanDerWaalsContact C-N 3.26Å; T378-H380 PolarHBondContact O-N 3.27Å; T378-K382 PolarHBondContact O-N 3.29Å
379	Q	65.6	Low	66.4	Low	97 Å²	97	71.3 Å²	71.3	45%	0.453	37%	0.373	S	S	.	.	H	α-helix	trans	-66.1	-29.1	173.2	-170.5	179.5	23.1	0	0	112.6	T375 L377	T375-Q379 WeakPolarHBondContact O-CB 3.37Å; T375-Q379 PolarHBondContact O-N 3.25Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 3.09Å
380	H	71	Confident	66.3	Low	11 Å²	11	70 Å²	70	5%	0.051	37%	0.365	C	S	.	.	H	α-helix	trans	-79.1	-39.1	177	172.9	35.7	0	0	0	113	C367 K369 F371 H376 L377 T378 K382 I383 H384	C367-H380 PolarHBondContact SG-NE2 3.32Å; C367-H380 VanDerWaalsContact SG-NE2 3.35Å; K369-H380 WeakPolarHBondContact CD-NE2 3.45Å; F371-H380 HydrophobicContact CE1-CB 4.15Å; F371-H380 HydrophobicContact CE2-CB 4.11Å; F371-H380 AromaticContact CE2-CD2 3.26Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.21Å; F371-H380 AromaticContact CE2-CG 3.91Å; F371-H380 HydrophobicContact CZ-CB 3.6Å; F371-H380 AromaticContact CZ-CD2 3.26Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.38Å; F371-H380 AromaticContact CZ-CG 3.48Å; F371-H380 VanDerWaalsContact CZ-CG 3.48Å; H376-H380 VanDerWaalsContact O-CB 3.25Å; H376-H380 WeakPolarHBondContact O-CB 3.46Å; H376-H380 PolarHBondContact O-N 3.46Å; L377-H380 CarbonylContact O-C 3.55Å; L377-H380 WeakPolarHBondContact O-CA 2.88Å; L377-H380 WeakPolarHBondContact O-CB 3.18Å; L377-H380 PolarHBondContact O-N 3.16Å; T378-H380 VanDerWaalsContact C-N 3.26Å; T378-H380 PolarHBondContact O-N 3.27Å; H380-K382 PolarHBondContact O-N 2.85Å; H380-I383 WeakPolarHBondContact O-CA 3.27Å; H380-I383 WeakPolarHBondContact O-CB 3.21Å; H380-I383 WeakPolarHBondContact O-CG1 3.48Å; H380-I383 PolarHBondContact O-N 2.82Å; H380-H384 AromaticContact CE1-CD2 3.8Å
381	Q	67.9	Low	65.9	Low	59 Å²	59	74.5 Å²	74.5	28%	0.276	38%	0.379	S	S	.	.	H	α-helix	trans	-57.8	-35.6	176.3	-73.7	167.8	-59.3	0	0	111.4	L377 I383 H384 T385	L377-Q381 HydrophobicContact CD1-CG 3.96Å; L377-Q381 HydrophobicContact CG-CG 4.37Å; L377-Q381 WeakPolarHBondContact O-CG 3.33Å; L377-Q381 PolarHBondContact O-N 3.4Å; Q381-I383 PolarHBondContact O-N 2.94Å; Q381-H384 PolarHBondContact O-N 2.95Å; Q381-T385 PolarHBondContact O-N 2.63Å; Q381-T385 PolarHBondContact O-OG1 2.78Å
382	K	68.1	Low	65.8	Low	73 Å²	73	72.5 Å²	72.5	32%	0.317	37%	0.371	S	S	.	.	H	α-helix	trans	-60.2	-7.5	170.1	-67.4	-168.3	171.7	-156.3	0	115.9	T378 H380	T378-K382 PolarHBondContact O-N 3.29Å; H380-K382 PolarHBondContact O-N 2.85Å
383	I	62.4	Low	65.9	Low	106 Å²	106	78.2 Å²	78.2	54%	0.544	40%	0.4	S	S	.	.	H	α-helix	trans	-85.5	-33.5	170.8	-54.3	179.6	0	0	0	110.5	H380 Q381	H380-I383 WeakPolarHBondContact O-CA 3.27Å; H380-I383 WeakPolarHBondContact O-CB 3.21Å; H380-I383 WeakPolarHBondContact O-CG1 3.48Å; H380-I383 PolarHBondContact O-N 2.82Å; Q381-I383 PolarHBondContact O-N 2.94Å
384	H	60.9	Low	65.8	Low	83 Å²	83	79.7 Å²	79.7	38%	0.384	41%	0.411	S	S	.	.	H	α-helix	trans	-84.2	-45.9	178.4	-57.8	-66.9	0	0	0	112.1	E366 C367 H380 Q381 G386	E366-H384 HydrophobicContact CB-CB 4.48Å; E366-H384 IonicContact OE1-CD2 3.57Å; E366-H384 IonicContact OE1-CG 2.67Å; E366-H384 WeakPolarHBondContact OE2-CB 3.45Å; E366-H384 IonicContact OE2-CG 3.7Å; C367-H384 VanDerWaalsContact CB-NE2 3.32Å; C367-H384 WeakPolarHBondContact CB-NE2 3.4Å; C367-H384 PolarHBondContact SG-NE2 3.18Å; H380-H384 AromaticContact CE1-CD2 3.8Å; Q381-H384 PolarHBondContact O-N 2.95Å; H384-G386 PolarHBondContact O-N 3.31Å
385	T	61.2	Low	65.7	Low	75 Å²	75	79.4 Å²	79.4	46%	0.46	41%	0.409	S	S	.	.	S	Bend	trans	-66.2	-9.1	177.4	65.3	0	0	0	0	113.7	Q381 E387	Q381-T385 PolarHBondContact O-N 2.63Å; Q381-T385 PolarHBondContact O-OG1 2.78Å; T385-E387 PolarHBondContact O-N 3.25Å; T385-E387 VanDerWaalsContact O-N 3.13Å; T385-E387 WeakPolarHBondContact OG1-CG 3.32Å
386	G	58.3	Low	65.5	Low	43 Å²	43	78.7 Å²	78.7	44%	0.443	42%	0.416	S	S	.	.			trans	70.9	0.5	-179.2	0	0	0	0	0	115	H384 K388	H384-G386 PolarHBondContact O-N 3.31Å; G386-K388 PolarHBondContact O-N 2.9Å
387	E	57.7	Low	65.3	Low	114 Å²	114	81.4 Å²	81.4	53%	0.533	43%	0.427	S	S	.	.			trans	-67.4	70.9	-177	-70.7	-169.5	123.5	0	0	113.7	T385 T389	T385-E387 PolarHBondContact O-N 3.25Å; T385-E387 VanDerWaalsContact O-N 3.13Å; T385-E387 WeakPolarHBondContact OG1-CG 3.32Å; E387-T389 VanDerWaalsContact C-N 3.3Å; E387-T389 PolarHBondContact O-N 3.03Å; E387-T389 PolarHBondContact O-OG1 3.13Å
388	K	55.9	Low	64.8	Low	112 Å²	112	81.8 Å²	81.8	49%	0.487	43%	0.433	S	S	.	.			trans	-81.3	79	173.1	-65.1	163.4	-178.2	172.6	0	109	G386 Y390 A398 F399	G386-K388 PolarHBondContact O-N 2.9Å; K388-Y390 PolarHBondContact O-N 3.27Å; K388-A398 HydrophobicContact CB-CB 3.41Å; K388-A398 VanDerWaalsContact CB-CB 3.41Å; K388-A398 HydrophobicContact CD-CB 3.88Å; K388-A398 WeakPolarHBondContact CD-O 3.43Å; K388-A398 HydrophobicContact CG-CB 4.2Å; K388-F399 CarbonylContact C-O 3.12Å
389	T	61.5	Low	64.9	Low	83 Å²	83	80.7 Å²	80.7	51%	0.509	42%	0.422	S	S	.	.			trans	-53	-26.5	-173.9	-42.6	0	0	0	0	113.9	E387 F399	E387-T389 VanDerWaalsContact C-N 3.3Å; E387-T389 PolarHBondContact O-N 3.03Å; E387-T389 PolarHBondContact O-OG1 3.13Å; T389-F399 PolarHBondContact N-O 2.92Å
390	Y	64.1	Low	64.9	Low	88 Å²	88	78.9 Å²	78.9	35%	0.345	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	98.3	-179.5	-56.4	-82	0	0	0	110.5	K388 A398 F399 G401 P402 F405	K388-Y390 PolarHBondContact O-N 3.27Å; Y390-A398 CarbonylContact O-C 3.34Å; Y390-A398 VanDerWaalsContact O-CA 3.29Å; Y390-A398 WeakPolarHBondContact O-CA 3.28Å; Y390-F399 PolarHBondContact N-O 2.84Å; Y390-F399 PolarHBondContact O-N 3.32Å; Y390-G401 VanDerWaalsContact CD2-C 3.45Å; Y390-P402 HydrophobicContact CE1-CB 4.41Å; Y390-P402 HydrophobicContact CE1-CG 4.05Å; Y390-P402 HydrophobicContact CE2-CG 3.94Å; Y390-F405 HydrophobicContact CG-CB 4.33Å
391	K	62.1	Low	64.6	Low	152 Å²	152	78.9 Å²	78.9	66%	0.661	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.1	178.7	-58.6	-177	179.8	174.8	0	110.7	A398 F405	K391-A398 HydrophobicContact CB-CB 4.11Å; K391-A398 HydrophobicContact CG-CB 3.75Å; K391-F405 VanDerWaalsContact O-CE2 3.31Å; K391-F405 WeakPolarHBondContact O-CE2 3.47Å
392	C	72.7	Confident	64.6	Low	3 Å²	3	79 Å²	79	2%	0.02	43%	0.425	C	S	.	.			trans	-95.7	111.5	171.9	-177.3	0	0	0	0	110.4	E394 C395 G396 K397 F399 F405 H412	C392-E394 VanDerWaalsContact C-N 3.27Å; C392-E394 PolarHBondContact O-N 3.42Å; C392-C395 PolarHBondContact O-N 3.03Å; C392-G396 WeakPolarHBondContact O-CA 3.23Å; C392-G396 PolarHBondContact O-N 3.35Å; C392-K397 WeakPolarHBondContact CB-O 3.39Å; C392-K397 PolarHBondContact N-O 2.98Å; C392-F399 HydrophobicContact CB-CE2 4.49Å; C392-F405 HydrophobicContact CB-CE2 3.93Å; C392-H412 PolarHBondContact SG-CD2 3.12Å; C392-H412 PolarHBondContact SG-NE2 2.98Å
393	N	68.9	Low	64.6	Low	160 Å²	160	80 Å²	80	86%	0.856	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-33	-175.4	-62.4	-8.3	0	0	0	112.3	C395	N393-C395 VanDerWaalsContact C-N 3.34Å; N393-C395 PolarHBondContact O-N 3.19Å
394	E	68.6	Low	65	Low	124 Å²	124	76.7 Å²	76.7	58%	0.579	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.8	-179.1	-63.9	-177.2	-106.4	0	0	115	C392 H412	C392-E394 VanDerWaalsContact C-N 3.27Å; C392-E394 PolarHBondContact O-N 3.42Å; E394-H412 WeakPolarHBondContact OE1-CB 3.4Å; E394-H412 IonicContact OE1-CD2 3.15Å; E394-H412 IonicContact OE1-CG 3.22Å; E394-H412 WeakPolarHBondContact OE2-CB 3.4Å; E394-H412 IonicContact OE2-CG 3.35Å
395	C	69.3	Low	65.6	Low	53 Å²	53	74.8 Å²	74.8	36%	0.358	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	9.8	-175.8	74.9	0	0	0	0	115.7	C392 N393 K397 H408 H412	C392-C395 PolarHBondContact O-N 3.03Å; N393-C395 VanDerWaalsContact C-N 3.34Å; N393-C395 PolarHBondContact O-N 3.19Å; C395-K397 PolarHBondContact O-N 2.8Å; C395-H408 PolarHBondContact SG-NE2 3.26Å; C395-H412 PolarHBondContact SG-NE2 3.14Å; C395-H412 VanDerWaalsContact SG-NE2 3.45Å
396	G	63.5	Low	66.2	Low	62 Å²	62	76 Å²	76	64%	0.639	42%	0.419	S	S	*	.			trans	66.6	-12.4	-179.5	0	0	0	0	0	116	C392 A398	C392-G396 WeakPolarHBondContact O-CA 3.23Å; C392-G396 PolarHBondContact O-N 3.35Å; G396-A398 PolarHBondContact O-N 2.92Å
397	K	67.4	Low	67	Low	126 Å²	126	79.5 Å²	79.5	55%	0.548	42%	0.419	S	S	.	.			trans	-67.2	134.8	-179.2	-62.7	-169	179.4	-169.4	0	109.9	C392 C395 F399	C392-K397 WeakPolarHBondContact CB-O 3.39Å; C392-K397 PolarHBondContact N-O 2.98Å; C395-K397 PolarHBondContact O-N 2.8Å; K397-F399 HydrophobicContact CB-CE2 4.01Å; K397-F399 HydrophobicContact CB-CZ 4.05Å; K397-F399 WeakPolarHBondContact O-CE2 3.36Å
398	A	65.8	Low	67.9	Low	24 Å²	24	75.1 Å²	75.1	20%	0.198	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.8	-171.5	0	0	0	0	0	112	K388 Y390 K391 G396	K388-A398 HydrophobicContact CB-CB 3.41Å; K388-A398 VanDerWaalsContact CB-CB 3.41Å; K388-A398 HydrophobicContact CD-CB 3.88Å; K388-A398 WeakPolarHBondContact CD-O 3.43Å; K388-A398 HydrophobicContact CG-CB 4.2Å; Y390-A398 CarbonylContact O-C 3.34Å; Y390-A398 VanDerWaalsContact O-CA 3.29Å; Y390-A398 WeakPolarHBondContact O-CA 3.28Å; K391-A398 HydrophobicContact CB-CB 4.11Å; K391-A398 HydrophobicContact CG-CB 3.75Å; G396-A398 PolarHBondContact O-N 2.92Å
399	F	71	Confident	68.6	Low	46 Å²	46	73 Å²	73	20%	0.202	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155	-158.7	-60	-90.5	0	0	0	112.5	K388 T389 Y390 C392 K397 F405 H408	K388-F399 CarbonylContact C-O 3.12Å; T389-F399 PolarHBondContact N-O 2.92Å; Y390-F399 PolarHBondContact N-O 2.84Å; Y390-F399 PolarHBondContact O-N 3.32Å; C392-F399 HydrophobicContact CB-CE2 4.49Å; K397-F399 HydrophobicContact CB-CE2 4.01Å; K397-F399 HydrophobicContact CB-CZ 4.05Å; K397-F399 WeakPolarHBondContact O-CE2 3.36Å; F399-F405 HydrophobicContact CB-CB 4.14Å; F399-F405 HydrophobicContact CD2-CB 4.35Å; F399-F405 AromaticContact CD2-CD2 3.92Å; F399-F405 HydrophobicContact CD2-CD2 3.92Å; F399-F405 HydrophobicContact CE2-CD2 4.48Å; F399-F405 HydrophobicContact CG-CB 4.38Å; F399-H408 HydrophobicContact CE1-CB 3.93Å; F399-H408 HydrophobicContact CE2-CB 3.93Å; F399-H408 AromaticContact CE2-CD2 3.21Å; F399-H408 WeakPolarHBondContact CE2-CD2 3.24Å; F399-H408 AromaticContact CE2-CG 3.59Å; F399-H408 AromaticContact CE2-NE2 3.85Å; F399-H408 HydrophobicContact CZ-CB 3.52Å; F399-H408 AromaticContact CZ-CD2 3.36Å; F399-H408 WeakPolarHBondContact CZ-CD2 3.47Å; F399-H408 AromaticContact CZ-CG 3.23Å; F399-H408 AromaticContact CZ-ND1 3.76Å; F399-H408 AromaticContact CZ-NE2 3.9Å
400	N	63.5	Low	69.4	Low	59 Å²	59	70.6 Å²	70.6	32%	0.316	37%	0.373	S	S	.	.	S	Bend	trans	-92.9	16.5	-175.9	67.1	-15.6	0	0	0	114.3
401	G	66.8	Low	69.9	Low	11 Å²	11	71.8 Å²	71.8	11%	0.113	38%	0.384	C	S	.	.	S	Bend	trans	-179.4	160.2	173.9	0	0	0	0	0	113.8	Y390 S403 T404 F405	Y390-G401 VanDerWaalsContact CD2-C 3.45Å; G401-S403 PolarHBondContact O-N 3.16Å; G401-T404 PolarHBondContact O-N 2.62Å; G401-T404 PolarHBondContact O-OG1 3.47Å; G401-F405 PolarHBondContact O-N 3.31Å; G401-F405 VanDerWaalsContact O-N 3.15Å
402	P	66.4	Low	70.4	Confident	63 Å²	63	67.5 Å²	67.5	41%	0.409	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-41.6	-175.9	-16.9	26.2	0	0	0	112.8	Y390 T404 F405 I406	Y390-P402 HydrophobicContact CE1-CB 4.41Å; Y390-P402 HydrophobicContact CE1-CG 4.05Å; Y390-P402 HydrophobicContact CE2-CG 3.94Å; P402-T404 VanDerWaalsContact C-N 3.33Å; P402-T404 PolarHBondContact O-N 2.9Å; P402-F405 WeakPolarHBondContact O-CB 3.47Å; P402-F405 PolarHBondContact O-N 3.11Å; P402-I406 HydrophobicContact CB-CD1 4.49Å; P402-I406 WeakPolarHBondContact O-CB 3.23Å; P402-I406 VanDerWaalsContact O-CG1 3.29Å; P402-I406 WeakPolarHBondContact O-CG1 3.39Å; P402-I406 PolarHBondContact O-N 3.07Å
403	S	68.1	Low	70.4	Confident	93 Å²	93	70.5 Å²	70.5	65%	0.65	39%	0.385	S	S	*	.	H	α-helix	trans	-69.8	-27.5	-176.3	56.9	0	0	0	0	113.5	G401 R407	G401-S403 PolarHBondContact O-N 3.16Å; S403-R407 VanDerWaalsContact O-CB 3.26Å; S403-R407 WeakPolarHBondContact O-CB 3.31Å; S403-R407 PolarHBondContact O-N 3.42Å
404	T	70.5	Confident	70.6	Confident	36 Å²	36	64.5 Å²	64.5	22%	0.221	36%	0.36	C	S	.	.	H	α-helix	trans	-79.9	-33.1	172.4	49.1	0	0	0	0	111.7	G401 P402 H408	G401-T404 PolarHBondContact O-N 2.62Å; G401-T404 PolarHBondContact O-OG1 3.47Å; P402-T404 VanDerWaalsContact C-N 3.33Å; P402-T404 PolarHBondContact O-N 2.9Å; T404-H408 PolarHBondContact O-N 2.99Å
405	F	75.2	Confident	70.8	Confident	44 Å²	44	64 Å²	64	19%	0.193	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-54.6	172.8	173.4	-114.7	0	0	0	113.1	Y390 K391 C392 F399 G401 P402 R407 H408 H409	Y390-F405 HydrophobicContact CG-CB 4.33Å; K391-F405 VanDerWaalsContact O-CE2 3.31Å; K391-F405 WeakPolarHBondContact O-CE2 3.47Å; C392-F405 HydrophobicContact CB-CE2 3.93Å; F399-F405 HydrophobicContact CB-CB 4.14Å; F399-F405 HydrophobicContact CD2-CB 4.35Å; F399-F405 AromaticContact CD2-CD2 3.92Å; F399-F405 HydrophobicContact CD2-CD2 3.92Å; F399-F405 HydrophobicContact CE2-CD2 4.48Å; F399-F405 HydrophobicContact CG-CB 4.38Å; G401-F405 PolarHBondContact O-N 3.31Å; G401-F405 VanDerWaalsContact O-N 3.15Å; P402-F405 WeakPolarHBondContact O-CB 3.47Å; P402-F405 PolarHBondContact O-N 3.11Å; F405-R407 PolarHBondContact O-N 3.29Å; F405-H408 CarbonylContact O-C 3.53Å; F405-H408 WeakPolarHBondContact O-CA 3.46Å; F405-H408 WeakPolarHBondContact O-CB 3.23Å; F405-H408 PolarHBondContact O-N 2.94Å; F405-H409 PolarHBondContact O-N 3.2Å
406	I	72.4	Confident	71.2	Confident	99 Å²	99	67.1 Å²	67.1	51%	0.508	37%	0.366	S	S	.	.	H	α-helix	trans	-56.5	-41	178.8	-66.8	161.8	0	0	0	110.9	P402 H408 H409 M410	P402-I406 HydrophobicContact CB-CD1 4.49Å; P402-I406 WeakPolarHBondContact O-CB 3.23Å; P402-I406 VanDerWaalsContact O-CG1 3.29Å; P402-I406 WeakPolarHBondContact O-CG1 3.39Å; P402-I406 PolarHBondContact O-N 3.07Å; I406-H408 PolarHBondContact O-N 3.26Å; I406-H409 WeakPolarHBondContact O-CB 3.32Å; I406-H409 PolarHBondContact O-N 3.32Å; I406-H409 VanDerWaalsContact O-N 3.17Å; I406-M410 PolarHBondContact O-N 2.87Å; I406-M410 VanDerWaalsContact O-N 3.16Å
407	R	74.8	Confident	71.9	Confident	118 Å²	118	68.2 Å²	68.2	45%	0.445	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-24.3	175.8	-172.5	-178.4	66.8	166.8	-3.4	113.9	S403 F405 M410 Q429	S403-R407 VanDerWaalsContact O-CB 3.26Å; S403-R407 WeakPolarHBondContact O-CB 3.31Å; S403-R407 PolarHBondContact O-N 3.42Å; F405-R407 PolarHBondContact O-N 3.29Å; R407-M410 HydrophobicContact CB-CE 4.43Å; R407-M410 HydrophobicContact CG-CE 4.49Å; R407-Q429 HydrophobicContact CG-CG 4.1Å
408	H	77.2	Confident	72.5	Confident	21 Å²	21	66.6 Å²	66.6	10%	0.097	35%	0.353	C	S	.	.	H	α-helix	trans	-83.7	-36.8	170.6	168.7	67.8	0	0	0	111.8	C395 F399 T404 F405 I406 M410 I411 H412	C395-H408 PolarHBondContact SG-NE2 3.26Å; F399-H408 HydrophobicContact CE1-CB 3.93Å; F399-H408 HydrophobicContact CE2-CB 3.93Å; F399-H408 AromaticContact CE2-CD2 3.21Å; F399-H408 WeakPolarHBondContact CE2-CD2 3.24Å; F399-H408 AromaticContact CE2-CG 3.59Å; F399-H408 AromaticContact CE2-NE2 3.85Å; F399-H408 HydrophobicContact CZ-CB 3.52Å; F399-H408 AromaticContact CZ-CD2 3.36Å; F399-H408 WeakPolarHBondContact CZ-CD2 3.47Å; F399-H408 AromaticContact CZ-CG 3.23Å; F399-H408 AromaticContact CZ-ND1 3.76Å; F399-H408 AromaticContact CZ-NE2 3.9Å; T404-H408 PolarHBondContact O-N 2.99Å; F405-H408 CarbonylContact O-C 3.53Å; F405-H408 WeakPolarHBondContact O-CA 3.46Å; F405-H408 WeakPolarHBondContact O-CB 3.23Å; F405-H408 PolarHBondContact O-N 2.94Å; I406-H408 PolarHBondContact O-N 3.26Å; H408-M410 VanDerWaalsContact C-N 3.27Å; H408-M410 PolarHBondContact O-N 3.45Å; H408-I411 WeakPolarHBondContact O-CB 3.18Å; H408-I411 WeakPolarHBondContact O-CG1 3.26Å; H408-I411 PolarHBondContact O-N 3.02Å; H408-H412 AromaticContact CD2-NE2 3.92Å; H408-H412 AromaticContact CE1-CE1 3.7Å; H408-H412 AromaticContact CE1-NE2 3.41Å; H408-H412 PolarHBondContact CE1-NE2 3.41Å; H408-H412 AromaticContact NE2-CE1 3.83Å; H408-H412 AromaticContact NE2-NE2 3.11Å; H408-H412 PolarHBondContact NE2-NE2 3Å; H408-H412 VanDerWaalsContact NE2-NE2 3.11Å
409	H	71.3	Confident	73	Confident	68 Å²	68	70.8 Å²	70.8	32%	0.315	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-38.8	176.5	-157	-90.5	0	0	0	112.4	F405 I406 I411 H412 T413	F405-H409 PolarHBondContact O-N 3.2Å; I406-H409 WeakPolarHBondContact O-CB 3.32Å; I406-H409 PolarHBondContact O-N 3.32Å; I406-H409 VanDerWaalsContact O-N 3.17Å; H409-I411 PolarHBondContact O-N 3.3Å; H409-H412 PolarHBondContact O-N 2.88Å; H409-T413 WeakPolarHBondContact ND1-CG2 3.35Å; H409-T413 PolarHBondContact O-N 2.99Å; H409-T413 VanDerWaalsContact O-N 3.13Å; H409-T413 PolarHBondContact O-OG1 2.91Å
410	M	78.1	Confident	73.5	Confident	32 Å²	32	68.6 Å²	68.6	16%	0.158	36%	0.359	C	S	.	.	H	α-helix	trans	-60	-6.4	171.3	-71.9	-169.8	-73.7	0	0	115.2	I406 R407 H408 E415 P417 S428	I406-M410 PolarHBondContact O-N 2.87Å; I406-M410 VanDerWaalsContact O-N 3.16Å; R407-M410 HydrophobicContact CB-CE 4.43Å; R407-M410 HydrophobicContact CG-CE 4.49Å; H408-M410 VanDerWaalsContact C-N 3.27Å; H408-M410 PolarHBondContact O-N 3.45Å; M410-E415 HydrophobicContact CG-CB 4.21Å; M410-P417 HydrophobicContact SD-CG 4.13Å; M410-S428 WeakPolarHBondContact CE-O 3.4Å
411	I	74.1	Confident	74.3	Confident	114 Å²	114	73.2 Å²	73.2	59%	0.585	38%	0.383	S	S	*	.	H	α-helix	trans	-80.4	-36.9	170.7	-58.7	176.8	0	0	0	110.5	H408 H409	H408-I411 WeakPolarHBondContact O-CB 3.18Å; H408-I411 WeakPolarHBondContact O-CG1 3.26Å; H408-I411 PolarHBondContact O-N 3.02Å; H409-I411 PolarHBondContact O-N 3.3Å
412	H	72.4	Confident	74.7	Confident	62 Å²	62	78.5 Å²	78.5	29%	0.287	41%	0.405	S	S	.	.	H	α-helix	trans	-87.4	-46.9	-176.8	-48.8	-46.9	0	0	0	111.8	C392 E394 C395 H408 H409 G414	C392-H412 PolarHBondContact SG-CD2 3.12Å; C392-H412 PolarHBondContact SG-NE2 2.98Å; E394-H412 WeakPolarHBondContact OE1-CB 3.4Å; E394-H412 IonicContact OE1-CD2 3.15Å; E394-H412 IonicContact OE1-CG 3.22Å; E394-H412 WeakPolarHBondContact OE2-CB 3.4Å; E394-H412 IonicContact OE2-CG 3.35Å; C395-H412 PolarHBondContact SG-NE2 3.14Å; C395-H412 VanDerWaalsContact SG-NE2 3.45Å; H408-H412 AromaticContact CD2-NE2 3.92Å; H408-H412 AromaticContact CE1-CE1 3.7Å; H408-H412 AromaticContact CE1-NE2 3.41Å; H408-H412 PolarHBondContact CE1-NE2 3.41Å; H408-H412 AromaticContact NE2-CE1 3.83Å; H408-H412 AromaticContact NE2-NE2 3.11Å; H408-H412 PolarHBondContact NE2-NE2 3Å; H408-H412 VanDerWaalsContact NE2-NE2 3.11Å; H409-H412 PolarHBondContact O-N 2.88Å; H412-G414 PolarHBondContact O-N 2.85Å; H412-G414 VanDerWaalsContact O-N 3.1Å
413	T	72.8	Confident	75.1	Confident	65 Å²	65	78.1 Å²	78.1	40%	0.399	40%	0.403	S	S	.	.	S	Bend	trans	-64.9	-14.5	173.1	63.6	0	0	0	0	112.8	H409 E415	H409-T413 WeakPolarHBondContact ND1-CG2 3.35Å; H409-T413 PolarHBondContact O-N 2.99Å; H409-T413 VanDerWaalsContact O-N 3.13Å; H409-T413 PolarHBondContact O-OG1 2.91Å; T413-E415 PolarHBondContact O-N 3.18Å; T413-E415 VanDerWaalsContact O-N 3.1Å; T413-E415 WeakPolarHBondContact OG1-CG 3.33Å; T413-E415 PolarHBondContact OG1-OE2 3.13Å
414	G	73.2	Confident	75.4	Confident	34 Å²	34	75.9 Å²	75.9	35%	0.351	40%	0.395	S	S	.	.			trans	69.4	1	-178.5	0	0	0	0	0	114.7	H412 K416	H412-G414 PolarHBondContact O-N 2.85Å; H412-G414 VanDerWaalsContact O-N 3.1Å; G414-K416 WeakPolarHBondContact O-CD 3.23Å; G414-K416 WeakPolarHBondContact O-CE 3.44Å; G414-K416 WeakPolarHBondContact O-CG 3.49Å
415	E	72.9	Confident	75.8	Confident	113 Å²	113	79.8 Å²	79.8	53%	0.528	41%	0.409	S	S	.	.			trans	-59.2	133.9	-174.8	-75.1	179.2	139.7	0	0	112.6	M410 T413 S428	M410-E415 HydrophobicContact CG-CB 4.21Å; T413-E415 PolarHBondContact O-N 3.18Å; T413-E415 VanDerWaalsContact O-N 3.1Å; T413-E415 WeakPolarHBondContact OG1-CG 3.33Å; T413-E415 PolarHBondContact OG1-OE2 3.13Å; E415-S428 WeakPolarHBondContact O-CB 3.2Å
416	K	78.9	Confident	76	Confident	120 Å²	120	79.6 Å²	79.6	52%	0.522	42%	0.415	S	S	.	.			trans	-136.3	74.5	-175.4	-74.9	152.6	-174.6	159.8	0	110.4	G414 Y418 A426 F427	G414-K416 WeakPolarHBondContact O-CD 3.23Å; G414-K416 WeakPolarHBondContact O-CE 3.44Å; G414-K416 WeakPolarHBondContact O-CG 3.49Å; K416-Y418 PolarHBondContact O-N 3.37Å; K416-A426 HydrophobicContact CB-CB 3.47Å; K416-A426 VanDerWaalsContact CB-CB 3.47Å; K416-A426 HydrophobicContact CD-CB 4.25Å; K416-A426 WeakPolarHBondContact CD-O 3.25Å; K416-A426 HydrophobicContact CG-CB 4.38Å; K416-F427 CarbonylContact C-O 3.59Å; K416-F427 VanDerWaalsContact CA-O 3.27Å; K416-F427 WeakPolarHBondContact CA-O 3.48Å
417	P	78	Confident	76.4	Confident	85 Å²	85	77.1 Å²	77.1	55%	0.552	40%	0.401	S	S	*	.			trans	-67	-5.4	-172	-21.9	35	0	0	0	115.6	M410	M410-P417 HydrophobicContact SD-CG 4.13Å
418	Y	79.4	Confident	76.5	Confident	92 Å²	92	72.8 Å²	72.8	36%	0.361	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	88.9	-173.4	-54.9	-78.2	0	0	0	110.5	K416 F427 H430	K416-Y418 PolarHBondContact O-N 3.37Å; Y418-F427 WeakPolarHBondContact CB-O 3.25Å; Y418-F427 WeakPolarHBondContact CD2-O 3.35Å; Y418-F427 PolarHBondContact N-O 3.16Å; Y418-F427 VanDerWaalsContact N-O 3.07Å; Y418-F427 PolarHBondContact O-N 3.38Å; Y418-H430 HydrophobicContact CD1-CB 3.74Å; Y418-H430 AromaticContact CD1-ND1 3.85Å; Y418-H430 HydrophobicContact CE1-CB 3.7Å; Y418-H430 HydrophobicContact CG-CB 4.19Å
419	E	76.5	Confident	76.4	Confident	112 Å²	112	74.4 Å²	74.4	52%	0.523	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.8	178.8	-165.2	174.2	162.1	0	0	113.3	G424 L433	E419-G424 WeakPolarHBondContact OE1-CA 3.26Å; E419-L433 WeakPolarHBondContact O-CD2 3.48Å
420	C	81.8	Confident	76.5	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	102.3	172.3	-168	0	0	0	0	111	E422 C423 G424 K425 L433 H440	C420-E422 PolarHBondContact O-N 3.1Å; C420-C423 PolarHBondContact O-N 3.15Å; C420-G424 PolarHBondContact O-N 3.44Å; C420-K425 HydrophobicContact CB-CB 4.45Å; C420-K425 WeakPolarHBondContact CB-O 3.36Å; C420-K425 PolarHBondContact N-O 3.29Å; C420-L433 HydrophobicContact CB-CD1 3.52Å; C420-H440 VanDerWaalsContact SG-CD2 3.57Å; C420-H440 PolarHBondContact SG-NE2 2.92Å; C420-H440 VanDerWaalsContact SG-NE2 3.41Å
421	N	78.8	Confident	76.3	Confident	156 Å²	156	78.1 Å²	78.1	83%	0.834	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-20.7	179.5	-57.8	2.2	0	0	0	114.6
422	E	75.6	Confident	76.5	Confident	122 Å²	122	75.2 Å²	75.2	57%	0.57	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-16.5	-178.2	-61.6	176.8	133.4	0	0	113.8	C420 H440	C420-E422 PolarHBondContact O-N 3.1Å; E422-H440 VanDerWaalsContact OE2-CB 3.23Å; E422-H440 WeakPolarHBondContact OE2-CB 3.32Å; E422-H440 IonicContact OE2-CD2 3.82Å; E422-H440 PolarHBondContact OE2-CD2 2.85Å; E422-H440 IonicContact OE2-CG 3.4Å
423	C	76.1	Confident	76.8	Confident	54 Å²	54	72.8 Å²	72.8	37%	0.365	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.5	14.1	178.9	75.2	0	0	0	0	116.8	C420 K425 H436 H440	C420-C423 PolarHBondContact O-N 3.15Å; C423-K425 PolarHBondContact O-N 3.22Å; C423-H436 PolarHBondContact SG-NE2 2.87Å; C423-H440 PolarHBondContact SG-CE1 3.01Å; C423-H440 PolarHBondContact SG-NE2 3.13Å
424	G	74.6	Confident	76.9	Confident	46 Å²	46	72.4 Å²	72.4	47%	0.474	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	13.7	176.9	0	0	0	0	0	115.3	E419 C420 A426	E419-G424 WeakPolarHBondContact OE1-CA 3.26Å; C420-G424 PolarHBondContact O-N 3.44Å; G424-A426 PolarHBondContact O-N 3.32Å
425	K	77.1	Confident	76.7	Confident	119 Å²	119	74.7 Å²	74.7	52%	0.517	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117.2	-179.3	-75.7	-179.5	-175	167	0	110.9	C420 C423 F427	C420-K425 HydrophobicContact CB-CB 4.45Å; C420-K425 WeakPolarHBondContact CB-O 3.36Å; C420-K425 PolarHBondContact N-O 3.29Å; C423-K425 PolarHBondContact O-N 3.22Å; K425-F427 HydrophobicContact CB-CE2 3.78Å; K425-F427 HydrophobicContact CB-CZ 4.13Å; K425-F427 WeakPolarHBondContact O-CD2 3.5Å; K425-F427 WeakPolarHBondContact O-CE2 3.48Å
426	A	80.8	Confident	76.9	Confident	40 Å²	40	70.3 Å²	70.3	33%	0.331	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.7	179.9	0	0	0	0	0	112.5	K416 G424	K416-A426 HydrophobicContact CB-CB 3.47Å; K416-A426 VanDerWaalsContact CB-CB 3.47Å; K416-A426 HydrophobicContact CD-CB 4.25Å; K416-A426 WeakPolarHBondContact CD-O 3.25Å; K416-A426 HydrophobicContact CG-CB 4.38Å; G424-A426 PolarHBondContact O-N 3.32Å
427	F	79.9	Confident	76.7	Confident	47 Å²	47	68 Å²	68	21%	0.206	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.5	179.9	-60.8	-94.1	0	0	0	111.4	K416 Y418 K425 Q429 N432 L433 H436	K416-F427 CarbonylContact C-O 3.59Å; K416-F427 VanDerWaalsContact CA-O 3.27Å; K416-F427 WeakPolarHBondContact CA-O 3.48Å; Y418-F427 WeakPolarHBondContact CB-O 3.25Å; Y418-F427 WeakPolarHBondContact CD2-O 3.35Å; Y418-F427 PolarHBondContact N-O 3.16Å; Y418-F427 VanDerWaalsContact N-O 3.07Å; Y418-F427 PolarHBondContact O-N 3.38Å; K425-F427 HydrophobicContact CB-CE2 3.78Å; K425-F427 HydrophobicContact CB-CZ 4.13Å; K425-F427 WeakPolarHBondContact O-CD2 3.5Å; K425-F427 WeakPolarHBondContact O-CE2 3.48Å; F427-Q429 VanDerWaalsContact C-N 3.29Å; F427-Q429 PolarHBondContact O-N 2.8Å; F427-N432 HydrophobicContact CB-CB 4.3Å; F427-N432 HydrophobicContact CD1-CB 3.91Å; F427-N432 HydrophobicContact CG-CB 4.36Å; F427-L433 HydrophobicContact CB-CB 4.43Å; F427-L433 HydrophobicContact CD2-CB 4.11Å; F427-L433 HydrophobicContact CD2-CD1 4.16Å; F427-L433 HydrophobicContact CE2-CD1 4.42Å; F427-L433 HydrophobicContact CG-CB 4.43Å; F427-H436 HydrophobicContact CE1-CB 4.11Å; F427-H436 HydrophobicContact CE2-CB 3.94Å; F427-H436 AromaticContact CE2-CD2 3.21Å; F427-H436 WeakPolarHBondContact CE2-CD2 3.26Å; F427-H436 AromaticContact CE2-CG 3.75Å; F427-H436 HydrophobicContact CZ-CB 3.55Å; F427-H436 AromaticContact CZ-CD2 3.3Å; F427-H436 WeakPolarHBondContact CZ-CD2 3.18Å; F427-H436 AromaticContact CZ-CG 3.39Å
428	S	76.2	Confident	76.5	Confident	27 Å²	27	67.8 Å²	67.8	19%	0.189	36%	0.356	C	S	.	.	S	Bend	trans	-81.5	-2.6	175.5	55.6	0	0	0	0	114.1	M410 E415	M410-S428 WeakPolarHBondContact CE-O 3.4Å; E415-S428 WeakPolarHBondContact O-CB 3.2Å
429	Q	76.3	Confident	76.1	Confident	55 Å²	55	66.6 Å²	66.6	26%	0.257	36%	0.358	S	S	.	.	S	Bend	trans	-144.1	131.4	179.7	-63	176.8	58	0	0	110.6	R407 F427 S431 N432 L433	R407-Q429 HydrophobicContact CG-CG 4.1Å; F427-Q429 VanDerWaalsContact C-N 3.29Å; F427-Q429 PolarHBondContact O-N 2.8Å; Q429-S431 VanDerWaalsContact C-N 3.26Å; Q429-S431 PolarHBondContact O-N 2.82Å; Q429-N432 HydrophobicContact CB-CB 4.41Å; Q429-N432 WeakPolarHBondContact O-CB 3.3Å; Q429-N432 PolarHBondContact O-N 3.39Å; Q429-L433 PolarHBondContact O-N 3.24Å
430	H	73.6	Confident	75.9	Confident	109 Å²	109	64.7 Å²	64.7	51%	0.505	35%	0.349	S	S	.	.	H	α-helix	trans	-55.4	-39.7	177.8	-173.4	70	0	0	0	112.5	Y418 N432 L433 T434	Y418-H430 HydrophobicContact CD1-CB 3.74Å; Y418-H430 AromaticContact CD1-ND1 3.85Å; Y418-H430 HydrophobicContact CE1-CB 3.7Å; Y418-H430 HydrophobicContact CG-CB 4.19Å; H430-N432 PolarHBondContact O-N 3.43Å; H430-L433 WeakPolarHBondContact O-CB 3.44Å; H430-L433 PolarHBondContact O-N 3.27Å; H430-L433 VanDerWaalsContact O-N 3.12Å; H430-T434 PolarHBondContact O-N 3.18Å; H430-T434 PolarHBondContact O-OG1 3.24Å
431	S	74.1	Confident	75.3	Confident	68 Å²	68	68.6 Å²	68.6	48%	0.476	37%	0.373	S	S	.	.	H	α-helix	trans	-55.2	-34.4	175.1	53.5	0	0	0	0	113.5	Q429 Q435	Q429-S431 VanDerWaalsContact C-N 3.26Å; Q429-S431 PolarHBondContact O-N 2.82Å; S431-Q435 VanDerWaalsContact O-CB 3.31Å; S431-Q435 WeakPolarHBondContact O-CB 3.34Å; S431-Q435 PolarHBondContact O-N 3.17Å
432	N	77.5	Confident	74.8	Confident	53 Å²	53	63.4 Å²	63.4	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-81	-33.7	-177.7	-58.5	1.5	0	0	0	110.5	F427 Q429 H430 Q435 H436	F427-N432 HydrophobicContact CB-CB 4.3Å; F427-N432 HydrophobicContact CD1-CB 3.91Å; F427-N432 HydrophobicContact CG-CB 4.36Å; Q429-N432 HydrophobicContact CB-CB 4.41Å; Q429-N432 WeakPolarHBondContact O-CB 3.3Å; Q429-N432 PolarHBondContact O-N 3.39Å; H430-N432 PolarHBondContact O-N 3.43Å; N432-Q435 PolarHBondContact O-N 3.22Å; N432-H436 VanDerWaalsContact O-CB 3.29Å; N432-H436 WeakPolarHBondContact O-CB 3.21Å; N432-H436 PolarHBondContact O-N 3.28Å
433	L	78.8	Confident	74.4	Confident	12 Å²	12	62.2 Å²	62.2	6%	0.063	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-50.8	167.2	171.6	61.5	0	0	0	110.9	E419 C420 F427 Q429 H430 Q435 H436 Q437	E419-L433 WeakPolarHBondContact O-CD2 3.48Å; C420-L433 HydrophobicContact CB-CD1 3.52Å; F427-L433 HydrophobicContact CB-CB 4.43Å; F427-L433 HydrophobicContact CD2-CB 4.11Å; F427-L433 HydrophobicContact CD2-CD1 4.16Å; F427-L433 HydrophobicContact CE2-CD1 4.42Å; F427-L433 HydrophobicContact CG-CB 4.43Å; Q429-L433 PolarHBondContact O-N 3.24Å; H430-L433 WeakPolarHBondContact O-CB 3.44Å; H430-L433 PolarHBondContact O-N 3.27Å; H430-L433 VanDerWaalsContact O-N 3.12Å; L433-Q435 PolarHBondContact O-N 3.18Å; L433-H436 CarbonylContact O-C 3.59Å; L433-H436 WeakPolarHBondContact O-CA 3.33Å; L433-H436 WeakPolarHBondContact O-CB 3.09Å; L433-H436 PolarHBondContact O-N 2.88Å; L433-Q437 HydrophobicContact CD1-CG 4.11Å; L433-Q437 WeakPolarHBondContact O-CG 3.37Å; L433-Q437 PolarHBondContact O-N 2.96Å
434	T	73.9	Confident	74.3	Confident	57 Å²	57	65.3 Å²	65.3	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-60.3	-34.7	177.2	-46.9	0	0	0	0	112.1	H430	H430-T434 PolarHBondContact O-N 3.18Å; H430-T434 PolarHBondContact O-OG1 3.24Å
435	Q	70.8	Confident	74.4	Confident	82 Å²	82	66.3 Å²	66.3	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-67.8	-42.4	172.1	-173.5	-180	6.8	0	0	111.7	S431 N432 L433 K438 Y457	S431-Q435 VanDerWaalsContact O-CB 3.31Å; S431-Q435 WeakPolarHBondContact O-CB 3.34Å; S431-Q435 PolarHBondContact O-N 3.17Å; N432-Q435 PolarHBondContact O-N 3.22Å; L433-Q435 PolarHBondContact O-N 3.18Å; Q435-K438 WeakPolarHBondContact O-CB 3.34Å; Q435-K438 PolarHBondContact O-N 3.24Å; Q435-Y457 HydrophobicContact CG-CD1 3.94Å; Q435-Y457 HydrophobicContact CG-CE1 3.27Å; Q435-Y457 PolarHBondContact O-OH 3.27Å
436	H	77.2	Confident	74.4	Confident	20 Å²	20	64.4 Å²	64.4	9%	0.093	35%	0.346	C	S	.	.	H	α-helix	trans	-68.2	-36.7	-180	172.5	44.6	0	0	0	113.3	C423 F427 N432 L433 K438 T439 H440	C423-H436 PolarHBondContact SG-NE2 2.87Å; F427-H436 HydrophobicContact CE1-CB 4.11Å; F427-H436 HydrophobicContact CE2-CB 3.94Å; F427-H436 AromaticContact CE2-CD2 3.21Å; F427-H436 WeakPolarHBondContact CE2-CD2 3.26Å; F427-H436 AromaticContact CE2-CG 3.75Å; F427-H436 HydrophobicContact CZ-CB 3.55Å; F427-H436 AromaticContact CZ-CD2 3.3Å; F427-H436 WeakPolarHBondContact CZ-CD2 3.18Å; F427-H436 AromaticContact CZ-CG 3.39Å; N432-H436 VanDerWaalsContact O-CB 3.29Å; N432-H436 WeakPolarHBondContact O-CB 3.21Å; N432-H436 PolarHBondContact O-N 3.28Å; L433-H436 CarbonylContact O-C 3.59Å; L433-H436 WeakPolarHBondContact O-CA 3.33Å; L433-H436 WeakPolarHBondContact O-CB 3.09Å; L433-H436 PolarHBondContact O-N 2.88Å; H436-K438 PolarHBondContact O-N 3.13Å; H436-K438 VanDerWaalsContact O-N 3.16Å; H436-T439 PolarHBondContact CE1-OG1 3.39Å; H436-T439 PolarHBondContact ND1-OG1 3.02Å; H436-T439 WeakPolarHBondContact O-CA 3.34Å; H436-T439 WeakPolarHBondContact O-CB 3.36Å; H436-T439 PolarHBondContact O-N 2.94Å; H436-T439 PolarHBondContact O-OG1 3.43Å; H436-H440 AromaticContact CE1-CE1 3.78Å; H436-H440 AromaticContact CE1-NE2 3.32Å; H436-H440 PolarHBondContact CE1-NE2 3.14Å; H436-H440 VanDerWaalsContact CE1-NE2 3.32Å; H436-H440 AromaticContact NE2-CE1 3.97Å; H436-H440 AromaticContact NE2-NE2 3.2Å; H436-H440 PolarHBondContact NE2-NE2 3.05Å; H436-H440 VanDerWaalsContact NE2-NE2 3.2Å
437	Q	74.1	Confident	74.2	Confident	71 Å²	71	64.9 Å²	64.9	33%	0.332	34%	0.343	S	S	.	.	H	α-helix	trans	-56.8	-32	176.6	-74.3	168.7	-45	0	0	112.1	L433 T439 H440 T441	L433-Q437 HydrophobicContact CD1-CG 4.11Å; L433-Q437 WeakPolarHBondContact O-CG 3.37Å; L433-Q437 PolarHBondContact O-N 2.96Å; Q437-T439 PolarHBondContact O-N 3.46Å; Q437-T439 VanDerWaalsContact O-N 3.1Å; Q437-H440 PolarHBondContact O-N 2.97Å; Q437-T441 PolarHBondContact O-N 3.18Å
438	K	74.1	Confident	74.4	Confident	82 Å²	82	62.7 Å²	62.7	36%	0.357	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.7	172.5	-55.7	-169.1	178.7	-153.8	0	114.7	Q435 H436	Q435-K438 WeakPolarHBondContact O-CB 3.34Å; Q435-K438 PolarHBondContact O-N 3.24Å; H436-K438 PolarHBondContact O-N 3.13Å; H436-K438 VanDerWaalsContact O-N 3.16Å
439	T	71.3	Confident	74.5	Confident	67 Å²	67	65.9 Å²	65.9	41%	0.411	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-19.2	171.5	69.9	0	0	0	0	113	H436 Q437 Y457	H436-T439 PolarHBondContact CE1-OG1 3.39Å; H436-T439 PolarHBondContact ND1-OG1 3.02Å; H436-T439 WeakPolarHBondContact O-CA 3.34Å; H436-T439 WeakPolarHBondContact O-CB 3.36Å; H436-T439 PolarHBondContact O-N 2.94Å; H436-T439 PolarHBondContact O-OG1 3.43Å; Q437-T439 PolarHBondContact O-N 3.46Å; Q437-T439 VanDerWaalsContact O-N 3.1Å; T439-Y457 WeakPolarHBondContact CG2-OH 3.29Å
440	H	72	Confident	74.5	Confident	72 Å²	72	69.7 Å²	69.7	33%	0.333	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-43.4	173.6	-63	-54.6	0	0	0	111.9	C420 E422 C423 H436 Q437 G442	C420-H440 VanDerWaalsContact SG-CD2 3.57Å; C420-H440 PolarHBondContact SG-NE2 2.92Å; C420-H440 VanDerWaalsContact SG-NE2 3.41Å; E422-H440 VanDerWaalsContact OE2-CB 3.23Å; E422-H440 WeakPolarHBondContact OE2-CB 3.32Å; E422-H440 IonicContact OE2-CD2 3.82Å; E422-H440 PolarHBondContact OE2-CD2 2.85Å; E422-H440 IonicContact OE2-CG 3.4Å; C423-H440 PolarHBondContact SG-CE1 3.01Å; C423-H440 PolarHBondContact SG-NE2 3.13Å; H436-H440 AromaticContact CE1-CE1 3.78Å; H436-H440 AromaticContact CE1-NE2 3.32Å; H436-H440 PolarHBondContact CE1-NE2 3.14Å; H436-H440 VanDerWaalsContact CE1-NE2 3.32Å; H436-H440 AromaticContact NE2-CE1 3.97Å; H436-H440 AromaticContact NE2-NE2 3.2Å; H436-H440 PolarHBondContact NE2-NE2 3.05Å; H436-H440 VanDerWaalsContact NE2-NE2 3.2Å; Q437-H440 PolarHBondContact O-N 2.97Å; H440-G442 PolarHBondContact O-N 3.12Å; H440-G442 VanDerWaalsContact O-N 3.11Å
441	T	68.7	Low	74.6	Confident	82 Å²	82	67 Å²	67	50%	0.503	37%	0.373	S	S	.	.	S	Bend	trans	-65.1	-12.9	174.2	63.7	0	0	0	0	113.3	Q437 E443	Q437-T441 PolarHBondContact O-N 3.18Å; T441-E443 PolarHBondContact O-N 3.41Å; T441-E443 VanDerWaalsContact O-N 3.17Å; T441-E443 WeakPolarHBondContact OG1-CG 3.18Å
442	G	67.4	Low	74.8	Confident	47 Å²	47	66.7 Å²	66.7	49%	0.485	38%	0.38	S	S	.	.			trans	69.8	5.3	-178.6	0	0	0	0	0	114.2	H440 K444	H440-G442 PolarHBondContact O-N 3.12Å; H440-G442 VanDerWaalsContact O-N 3.11Å; G442-K444 PolarHBondContact O-N 2.99Å
443	E	68.6	Low	74.8	Confident	96 Å²	96	70 Å²	70	45%	0.449	39%	0.392	S	S	.	.			trans	-58.4	127.7	-176.5	-79.9	176.5	-165.7	0	0	112	T441 S456	T441-E443 PolarHBondContact O-N 3.41Å; T441-E443 VanDerWaalsContact O-N 3.17Å; T441-E443 WeakPolarHBondContact OG1-CG 3.18Å; E443-S456 WeakPolarHBondContact O-CA 3.48Å; E443-S456 VanDerWaalsContact O-CB 3.31Å; E443-S456 WeakPolarHBondContact O-CB 3.4Å
444	K	73	Confident	74.8	Confident	120 Å²	120	71.8 Å²	71.8	52%	0.522	41%	0.405	S	S	.	.			trans	-130.2	74.2	175.6	-67.5	167.9	-178.4	177	0	110.3	G442 Y446 F455	G442-K444 PolarHBondContact O-N 2.99Å; K444-Y446 PolarHBondContact O-N 3.48Å; K444-Y446 VanDerWaalsContact O-N 3.16Å; K444-F455 CarbonylContact C-O 3.25Å; K444-F455 VanDerWaalsContact CA-O 3.23Å; K444-F455 WeakPolarHBondContact CA-O 3.3Å
445	P	76.1	Confident	75	Confident	67 Å²	67	71.2 Å²	71.2	44%	0.435	40%	0.398	S	S	.	.			trans	-68.1	-14.2	-172.8	-19.7	34	0	0	0	114.3
446	Y	78.4	Confident	75	Confident	79 Å²	79	68.7 Å²	68.7	31%	0.31	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	87.1	-169.4	-54.3	-71.8	0	0	0	110.7	K444 F455 W458	K444-Y446 PolarHBondContact O-N 3.48Å; K444-Y446 VanDerWaalsContact O-N 3.16Å; Y446-F455 WeakPolarHBondContact CB-O 3.41Å; Y446-F455 WeakPolarHBondContact CD2-O 3.34Å; Y446-F455 PolarHBondContact N-O 2.94Å; Y446-F455 VanDerWaalsContact N-O 3.12Å; Y446-F455 PolarHBondContact O-N 2.99Å; Y446-W458 HydrophobicContact CD1-CB 4.11Å; Y446-W458 AromaticContact CD1-CE3 3.84Å; Y446-W458 HydrophobicContact CD1-CE3 3.84Å; Y446-W458 VanDerWaalsContact CD2-N 3.3Å; Y446-W458 HydrophobicContact CE1-CB 3.97Å; Y446-W458 HydrophobicContact CE1-CE3 4.32Å; Y446-W458 HydrophobicContact CE2-CB 4.46Å; Y446-W458 HydrophobicContact CG-CB 4.4Å
447	D	77	Confident	74.7	Confident	50 Å²	50	70.3 Å²	70.3	27%	0.267	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.5	178.8	-77	-36.1	0	0	0	112.4	K169 A449 S454	K169-D447 IonicContact NZ-OD2 3.79Å; K169-D447 PolarHBondContact NZ-OD2 2.85Å; D447-A449 PolarHBondContact O-N 3.18Å; D447-S454 WeakPolarHBondContact OD1-CA 3.48Å; D447-S454 WeakPolarHBondContact OD1-CB 3.44Å; D447-S454 PolarHBondContact OD1-OG 3.28Å
448	C	83.5	Confident	74.6	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.007	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	105.8	170	-179.2	0	0	0	0	111	E450 C451 G452 K453 F455 L461 H464 H468	C448-E450 PolarHBondContact O-N 3Å; C448-E450 VanDerWaalsContact O-N 3.14Å; C448-C451 PolarHBondContact O-N 3.47Å; C448-C451 VanDerWaalsContact SG-SG 3.67Å; C448-G452 WeakPolarHBondContact O-CA 3.39Å; C448-G452 PolarHBondContact O-N 2.83Å; C448-K453 HydrophobicContact CB-CB 4.43Å; C448-K453 VanDerWaalsContact CB-O 3.29Å; C448-K453 WeakPolarHBondContact CB-O 3.24Å; C448-K453 PolarHBondContact N-O 3.05Å; C448-F455 HydrophobicContact CB-CE2 4.28Å; C448-L461 HydrophobicContact CB-CD1 3.57Å; C448-H464 PolarHBondContact SG-NE2 2.84Å; C448-H468 PolarHBondContact SG-NE2 3.4Å
449	A	78.3	Confident	74.5	Confident	94 Å²	94	73.3 Å²	73.3	78%	0.777	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31	-178.5	0	0	0	0	0	114.6	D447	D447-A449 PolarHBondContact O-N 3.18Å
450	E	76.9	Confident	74.6	Confident	134 Å²	134	71.8 Å²	71.8	63%	0.626	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.7	-176.4	-68.4	-177.8	-122.3	0	0	114.6	C448 H468	C448-E450 PolarHBondContact O-N 3Å; C448-E450 VanDerWaalsContact O-N 3.14Å; E450-H468 WeakPolarHBondContact OE2-CB 3.19Å; E450-H468 IonicContact OE2-CG 3.06Å
451	C	75.9	Confident	74.9	Confident	54 Å²	54	68.8 Å²	68.8	37%	0.365	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.8	10.3	-177.6	73.2	0	0	0	0	115.7	C448 K453 H464 H468	C448-C451 PolarHBondContact O-N 3.47Å; C448-C451 VanDerWaalsContact SG-SG 3.67Å; C451-K453 PolarHBondContact O-N 3.25Å; C451-H464 PolarHBondContact SG-NE2 2.82Å; C451-H468 PolarHBondContact SG-NE2 3.21Å
452	G	77.9	Confident	75.1	Confident	61 Å²	61	66.6 Å²	66.6	63%	0.629	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	12	176.5	0	0	0	0	0	115.6	C448	C448-G452 WeakPolarHBondContact O-CA 3.39Å; C448-G452 PolarHBondContact O-N 2.83Å
453	K	76.6	Confident	75.4	Confident	122 Å²	122	68.8 Å²	68.8	53%	0.53	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.1	-179.1	-70.8	-180	-174.6	171.9	0	111.4	C448 C451 F455	C448-K453 HydrophobicContact CB-CB 4.43Å; C448-K453 VanDerWaalsContact CB-O 3.29Å; C448-K453 WeakPolarHBondContact CB-O 3.24Å; C448-K453 PolarHBondContact N-O 3.05Å; C451-K453 PolarHBondContact O-N 3.25Å; K453-F455 HydrophobicContact CB-CE2 3.72Å; K453-F455 HydrophobicContact CB-CZ 4.05Å; K453-F455 VanDerWaalsContact O-CD2 3.27Å; K453-F455 WeakPolarHBondContact O-CD2 3.46Å; K453-F455 WeakPolarHBondContact O-CE2 3.48Å
454	S	78.9	Confident	75.8	Confident	49 Å²	49	65 Å²	65	34%	0.343	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	138.8	175.1	-36	0	0	0	0	111.9	D447	D447-S454 WeakPolarHBondContact OD1-CA 3.48Å; D447-S454 WeakPolarHBondContact OD1-CB 3.44Å; D447-S454 PolarHBondContact OD1-OG 3.28Å
455	F	77.8	Confident	75.9	Confident	45 Å²	45	61.8 Å²	61.8	20%	0.197	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147	176.5	-62.2	-93.4	0	0	0	111.3	K444 Y446 C448 K453 Y457 L461 H464	K444-F455 CarbonylContact C-O 3.25Å; K444-F455 VanDerWaalsContact CA-O 3.23Å; K444-F455 WeakPolarHBondContact CA-O 3.3Å; Y446-F455 WeakPolarHBondContact CB-O 3.41Å; Y446-F455 WeakPolarHBondContact CD2-O 3.34Å; Y446-F455 PolarHBondContact N-O 2.94Å; Y446-F455 VanDerWaalsContact N-O 3.12Å; Y446-F455 PolarHBondContact O-N 2.99Å; C448-F455 HydrophobicContact CB-CE2 4.28Å; K453-F455 HydrophobicContact CB-CE2 3.72Å; K453-F455 HydrophobicContact CB-CZ 4.05Å; K453-F455 VanDerWaalsContact O-CD2 3.27Å; K453-F455 WeakPolarHBondContact O-CD2 3.46Å; K453-F455 WeakPolarHBondContact O-CE2 3.48Å; F455-Y457 VanDerWaalsContact C-N 3.32Å; F455-L461 HydrophobicContact CB-CB 4.31Å; F455-L461 HydrophobicContact CD2-CB 4.1Å; F455-L461 HydrophobicContact CD2-CD1 3.92Å; F455-L461 HydrophobicContact CE2-CD1 4.15Å; F455-L461 HydrophobicContact CG-CB 4.34Å; F455-H464 HydrophobicContact CE1-CB 4.02Å; F455-H464 HydrophobicContact CE2-CB 4Å; F455-H464 AromaticContact CE2-CD2 3.23Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.18Å; F455-H464 AromaticContact CE2-CG 3.72Å; F455-H464 HydrophobicContact CZ-CB 3.54Å; F455-H464 AromaticContact CZ-CD2 3.32Å; F455-H464 WeakPolarHBondContact CZ-CD2 3.33Å; F455-H464 AromaticContact CZ-CG 3.33Å
456	S	71.6	Confident	76	Confident	29 Å²	29	61.9 Å²	61.9	20%	0.203	34%	0.344	C	S	.	.	S	Bend	trans	-76	-18	176	45.6	0	0	0	0	113.5	E443	E443-S456 WeakPolarHBondContact O-CA 3.48Å; E443-S456 VanDerWaalsContact O-CB 3.31Å; E443-S456 WeakPolarHBondContact O-CB 3.4Å
457	Y	71.2	Confident	75.8	Confident	54 Å²	54	63.1 Å²	63.1	21%	0.212	35%	0.354	C	S	.	.	S	Bend	trans	-133.5	138.4	-179.8	-42	-53.6	0	0	0	112.1	Q435 T439 F455 S459 S460 L461	Q435-Y457 HydrophobicContact CG-CD1 3.94Å; Q435-Y457 HydrophobicContact CG-CE1 3.27Å; Q435-Y457 PolarHBondContact O-OH 3.27Å; T439-Y457 WeakPolarHBondContact CG2-OH 3.29Å; F455-Y457 VanDerWaalsContact C-N 3.32Å; Y457-S459 VanDerWaalsContact C-N 3.25Å; Y457-S459 PolarHBondContact O-N 2.97Å; Y457-S460 WeakPolarHBondContact O-CB 3.31Å; Y457-S460 PolarHBondContact O-N 2.98Å; Y457-S460 VanDerWaalsContact O-N 3.07Å; Y457-L461 PolarHBondContact O-N 3.43Å; Y457-L461 VanDerWaalsContact O-N 3.11Å
458	W	70.8	Confident	75.6	Confident	139 Å²	139	63.8 Å²	63.8	53%	0.527	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-38.1	173.1	176.1	-100.1	0	0	0	112.5	Y446 S460 L461 A462	Y446-W458 HydrophobicContact CD1-CB 4.11Å; Y446-W458 AromaticContact CD1-CE3 3.84Å; Y446-W458 HydrophobicContact CD1-CE3 3.84Å; Y446-W458 VanDerWaalsContact CD2-N 3.3Å; Y446-W458 HydrophobicContact CE1-CB 3.97Å; Y446-W458 HydrophobicContact CE1-CE3 4.32Å; Y446-W458 HydrophobicContact CE2-CB 4.46Å; Y446-W458 HydrophobicContact CG-CB 4.4Å; W458-S460 VanDerWaalsContact C-N 3.28Å; W458-S460 PolarHBondContact O-N 2.86Å; W458-L461 HydrophobicContact CE3-CD2 4.05Å; W458-L461 HydrophobicContact CZ3-CD2 3.92Å; W458-L461 PolarHBondContact O-N 2.84Å; W458-A462 WeakPolarHBondContact O-CB 3.49Å; W458-A462 PolarHBondContact O-N 3.48Å
459	S	71.8	Confident	75.1	Confident	77 Å²	77	67.5 Å²	67.5	54%	0.538	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-36.5	176.4	50.9	0	0	0	0	112.5	Y457 Q463	Y457-S459 VanDerWaalsContact C-N 3.25Å; Y457-S459 PolarHBondContact O-N 2.97Å; S459-Q463 VanDerWaalsContact O-CB 3.25Å; S459-Q463 WeakPolarHBondContact O-CB 3.21Å; S459-Q463 PolarHBondContact O-N 2.92Å
460	S	75.1	Confident	74.7	Confident	35 Å²	35	65 Å²	65	25%	0.245	36%	0.362	C	S	.	.	H	α-helix	trans	-73.5	-36.5	175	-57.6	0	0	0	0	112.5	Y457 W458 H464	Y457-S460 WeakPolarHBondContact O-CB 3.31Å; Y457-S460 PolarHBondContact O-N 2.98Å; Y457-S460 VanDerWaalsContact O-N 3.07Å; W458-S460 VanDerWaalsContact C-N 3.28Å; W458-S460 PolarHBondContact O-N 2.86Å; S460-H464 VanDerWaalsContact O-CB 3.28Å; S460-H464 WeakPolarHBondContact O-CB 3.31Å; S460-H464 PolarHBondContact O-N 3.49Å
461	L	77.1	Confident	74.5	Confident	9 Å²	9	63.2 Å²	63.2	5%	0.047	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-50.2	170.9	174.8	59.4	0	0	0	110.9	C448 F455 Y457 W458 Q463 H464 L465	C448-L461 HydrophobicContact CB-CD1 3.57Å; F455-L461 HydrophobicContact CB-CB 4.31Å; F455-L461 HydrophobicContact CD2-CB 4.1Å; F455-L461 HydrophobicContact CD2-CD1 3.92Å; F455-L461 HydrophobicContact CE2-CD1 4.15Å; F455-L461 HydrophobicContact CG-CB 4.34Å; Y457-L461 PolarHBondContact O-N 3.43Å; Y457-L461 VanDerWaalsContact O-N 3.11Å; W458-L461 HydrophobicContact CE3-CD2 4.05Å; W458-L461 HydrophobicContact CZ3-CD2 3.92Å; W458-L461 PolarHBondContact O-N 2.84Å; L461-Q463 VanDerWaalsContact C-N 3.27Å; L461-Q463 PolarHBondContact O-N 2.86Å; L461-H464 CarbonylContact O-C 3.6Å; L461-H464 WeakPolarHBondContact O-CA 3.36Å; L461-H464 WeakPolarHBondContact O-CB 3.33Å; L461-H464 PolarHBondContact O-N 3.25Å; L461-L465 HydrophobicContact CD1-CD2 4.27Å; L461-L465 HydrophobicContact CD1-CG 4.12Å; L461-L465 HydrophobicContact CG-CD1 4.34Å; L461-L465 HydrophobicContact CG-CG 4.4Å; L461-L465 WeakPolarHBondContact O-CG 3.22Å; L461-L465 PolarHBondContact O-N 3.19Å
462	A	74.1	Confident	74.6	Confident	37 Å²	37	66.4 Å²	66.4	31%	0.306	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-32.6	178.1	0	0	0	0	0	112.7	W458	W458-A462 WeakPolarHBondContact O-CB 3.49Å; W458-A462 PolarHBondContact O-N 3.48Å
463	Q	72.6	Confident	74.6	Confident	93 Å²	93	67 Å²	67	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-67.4	-41.6	169.5	-172.4	-177	12.1	0	0	111.6	S459 L461 Y485	S459-Q463 VanDerWaalsContact O-CB 3.25Å; S459-Q463 WeakPolarHBondContact O-CB 3.21Å; S459-Q463 PolarHBondContact O-N 2.92Å; L461-Q463 VanDerWaalsContact C-N 3.27Å; L461-Q463 PolarHBondContact O-N 2.86Å; Q463-Y485 HydrophobicContact CG-CD1 4.18Å; Q463-Y485 HydrophobicContact CG-CE1 3.35Å
464	H	77.8	Confident	74.7	Confident	16 Å²	16	65.3 Å²	65.3	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-68.1	-38.6	179.6	169.5	49.7	0	0	0	113.4	C448 C451 F455 S460 L461 K466 I467 H468	C448-H464 PolarHBondContact SG-NE2 2.84Å; C451-H464 PolarHBondContact SG-NE2 2.82Å; F455-H464 HydrophobicContact CE1-CB 4.02Å; F455-H464 HydrophobicContact CE2-CB 4Å; F455-H464 AromaticContact CE2-CD2 3.23Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.18Å; F455-H464 AromaticContact CE2-CG 3.72Å; F455-H464 HydrophobicContact CZ-CB 3.54Å; F455-H464 AromaticContact CZ-CD2 3.32Å; F455-H464 WeakPolarHBondContact CZ-CD2 3.33Å; F455-H464 AromaticContact CZ-CG 3.33Å; S460-H464 VanDerWaalsContact O-CB 3.28Å; S460-H464 WeakPolarHBondContact O-CB 3.31Å; S460-H464 PolarHBondContact O-N 3.49Å; L461-H464 CarbonylContact O-C 3.6Å; L461-H464 WeakPolarHBondContact O-CA 3.36Å; L461-H464 WeakPolarHBondContact O-CB 3.33Å; L461-H464 PolarHBondContact O-N 3.25Å; H464-K466 PolarHBondContact O-N 3.47Å; H464-K466 VanDerWaalsContact O-N 3.13Å; H464-I467 VanDerWaalsContact O-CB 3.24Å; H464-I467 WeakPolarHBondContact O-CB 3.4Å; H464-I467 WeakPolarHBondContact O-CG1 3.26Å; H464-I467 PolarHBondContact O-N 3.37Å; H464-H468 AromaticContact CE1-CE1 3.78Å; H464-H468 AromaticContact CE1-NE2 3.38Å; H464-H468 PolarHBondContact CE1-NE2 3.15Å; H464-H468 AromaticContact NE2-CE1 3.93Å; H464-H468 AromaticContact NE2-NE2 3.17Å; H464-H468 PolarHBondContact NE2-NE2 2.99Å; H464-H468 VanDerWaalsContact NE2-NE2 3.17Å
465	L	74.9	Confident	74.6	Confident	53 Å²	53	69.6 Å²	69.6	28%	0.277	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-28.5	179.4	-70.5	173.8	0	0	0	112.8	L461 I467 H468 T469	L461-L465 HydrophobicContact CD1-CD2 4.27Å; L461-L465 HydrophobicContact CD1-CG 4.12Å; L461-L465 HydrophobicContact CG-CD1 4.34Å; L461-L465 HydrophobicContact CG-CG 4.4Å; L461-L465 WeakPolarHBondContact O-CG 3.22Å; L461-L465 PolarHBondContact O-N 3.19Å; L465-I467 PolarHBondContact O-N 3.28Å; L465-I467 VanDerWaalsContact O-N 3.1Å; L465-H468 PolarHBondContact O-N 2.67Å; L465-T469 PolarHBondContact O-N 3.1Å
466	K	77.6	Confident	74.9	Confident	69 Å²	69	67.5 Å²	67.5	30%	0.3	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.9	173.3	-60.4	-173.7	176	-169	0	114.2	H464 G470 E471	H464-K466 PolarHBondContact O-N 3.47Å; H464-K466 VanDerWaalsContact O-N 3.13Å; K466-G470 PolarHBondContact O-N 3.05Å; K466-E471 PolarHBondContact O-N 3.45Å
467	I	73.7	Confident	75.3	Confident	104 Å²	104	72.7 Å²	72.7	53%	0.533	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-33.7	173.1	-57.3	180	0	0	0	110.6	H464 L465	H464-I467 VanDerWaalsContact O-CB 3.24Å; H464-I467 WeakPolarHBondContact O-CB 3.4Å; H464-I467 WeakPolarHBondContact O-CG1 3.26Å; H464-I467 PolarHBondContact O-N 3.37Å; L465-I467 PolarHBondContact O-N 3.28Å; L465-I467 VanDerWaalsContact O-N 3.1Å
468	H	73.3	Confident	75.6	Confident	65 Å²	65	74.6 Å²	74.6	30%	0.301	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-43.3	179.6	-54.8	-50	0	0	0	112.2	C448 E450 C451 H464 L465 G470	C448-H468 PolarHBondContact SG-NE2 3.4Å; E450-H468 WeakPolarHBondContact OE2-CB 3.19Å; E450-H468 IonicContact OE2-CG 3.06Å; C451-H468 PolarHBondContact SG-NE2 3.21Å; H464-H468 AromaticContact CE1-CE1 3.78Å; H464-H468 AromaticContact CE1-NE2 3.38Å; H464-H468 PolarHBondContact CE1-NE2 3.15Å; H464-H468 AromaticContact NE2-CE1 3.93Å; H464-H468 AromaticContact NE2-NE2 3.17Å; H464-H468 PolarHBondContact NE2-NE2 2.99Å; H464-H468 VanDerWaalsContact NE2-NE2 3.17Å; L465-H468 PolarHBondContact O-N 2.67Å; H468-G470 PolarHBondContact O-N 3.38Å; H468-G470 VanDerWaalsContact O-N 3.13Å
469	T	72.9	Confident	76	Confident	79 Å²	79	70.2 Å²	70.2	49%	0.485	38%	0.375	S	S	.	.	S	Bend	trans	-66.4	-13.3	173.8	68.2	0	0	0	0	112.9	L465 E471	L465-T469 PolarHBondContact O-N 3.1Å; T469-E471 PolarHBondContact O-N 2.89Å; T469-E471 WeakPolarHBondContact OG1-CB 3.27Å; T469-E471 VanDerWaalsContact OG1-CD 3.31Å; T469-E471 WeakPolarHBondContact OG1-CG 3.28Å; T469-E471 PolarHBondContact OG1-OE1 2.6Å
470	G	71	Confident	76.3	Confident	42 Å²	42	69.4 Å²	69.4	43%	0.433	38%	0.379	S	S	.	.			trans	70.4	4.6	-178.6	0	0	0	0	0	114.1	K466 H468 K472	K466-G470 PolarHBondContact O-N 3.05Å; H468-G470 PolarHBondContact O-N 3.38Å; H468-G470 VanDerWaalsContact O-N 3.13Å; G470-K472 PolarHBondContact O-N 3.12Å
471	E	72.6	Confident	76.4	Confident	96 Å²	96	73.2 Å²	73.2	45%	0.449	39%	0.391	S	S	.	.			trans	-57.4	121.3	-176.1	-84.1	169.8	-132.2	0	0	112.3	K466 T469	K466-E471 PolarHBondContact O-N 3.45Å; T469-E471 PolarHBondContact O-N 2.89Å; T469-E471 WeakPolarHBondContact OG1-CB 3.27Å; T469-E471 VanDerWaalsContact OG1-CD 3.31Å; T469-E471 WeakPolarHBondContact OG1-CG 3.28Å; T469-E471 PolarHBondContact OG1-OE1 2.6Å
472	K	77.1	Confident	76.6	Confident	120 Å²	120	74.5 Å²	74.5	52%	0.522	40%	0.402	S	S	.	.			trans	-129.8	74.5	177.2	-71.6	160	178.1	173.5	0	110	G470 Y474 A482 F483	G470-K472 PolarHBondContact O-N 3.12Å; K472-Y474 PolarHBondContact O-N 3.4Å; K472-A482 HydrophobicContact CB-CB 3.53Å; K472-A482 HydrophobicContact CD-CB 4.27Å; K472-A482 WeakPolarHBondContact CD-O 3.47Å; K472-A482 HydrophobicContact CG-CB 4.42Å; K472-F483 CarbonylContact C-O 3.44Å; K472-F483 VanDerWaalsContact C-O 3.29Å; K472-F483 VanDerWaalsContact CA-O 3.23Å; K472-F483 WeakPolarHBondContact CA-O 3.45Å
473	P	77.5	Confident	76.9	Confident	74 Å²	74	75 Å²	75	48%	0.481	40%	0.398	S	S	.	.			trans	-63.2	-31.8	-176.3	-21.2	34	0	0	0	112.6	K475	P473-K475 PolarHBondContact O-N 3.15Å
474	Y	78.8	Confident	77	Confident	87 Å²	87	71.8 Å²	71.8	34%	0.341	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	91	-170.3	-53.1	-78.5	0	0	0	110.3	K472 F483 S484 C486	K472-Y474 PolarHBondContact O-N 3.4Å; Y474-F483 PolarHBondContact N-O 3.41Å; Y474-F483 VanDerWaalsContact N-O 3.16Å; Y474-F483 PolarHBondContact O-N 3.26Å; Y474-S484 WeakPolarHBondContact CE2-O 3.1Å; Y474-C486 HydrophobicContact CD1-CB 3.7Å; Y474-C486 VanDerWaalsContact CD2-N 3.32Å; Y474-C486 HydrophobicContact CE1-CB 3.58Å; Y474-C486 HydrophobicContact CE2-CB 4.45Å; Y474-C486 HydrophobicContact CG-CB 4.21Å
475	K	77.7	Confident	76.8	Confident	138 Å²	138	73.7 Å²	73.7	60%	0.6	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	141	178.4	-63.6	178.3	-177	173.3	0	111.6	P473 A482 L489	P473-K475 PolarHBondContact O-N 3.15Å; K475-A482 HydrophobicContact CG-CB 3.94Å; K475-L489 WeakPolarHBondContact O-CD2 3.38Å
476	C	83.8	Confident	76.6	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.007	39%	0.393	C	S	.	.			trans	-89.9	113	170.3	178.5	0	0	0	0	109.8	E478 C479 G480 K481 F483 L489	C476-E478 PolarHBondContact O-N 3.17Å; C476-C479 PolarHBondContact O-N 2.96Å; C476-G480 VanDerWaalsContact O-CA 3.32Å; C476-G480 WeakPolarHBondContact O-CA 3.37Å; C476-G480 PolarHBondContact O-N 3.26Å; C476-K481 WeakPolarHBondContact CB-O 3.29Å; C476-K481 PolarHBondContact N-O 2.81Å; C476-F483 HydrophobicContact CB-CE2 4.46Å; C476-L489 HydrophobicContact CB-CD1 3.52Å
477	N	79.8	Confident	76.3	Confident	139 Å²	139	73.8 Å²	73.8	74%	0.743	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.1	-177.2	-60.6	0.1	0	0	0	112.4
478	E	77.8	Confident	76.5	Confident	93 Å²	93	70.4 Å²	70.4	44%	0.435	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.5	-175.3	-60.4	142.9	-101.6	0	0	113.9	C476 R493 H496	C476-E478 PolarHBondContact O-N 3.17Å; E478-R493 IonicContact OE1-CZ 3.38Å; E478-R493 IonicContact OE1-NH1 3.66Å; E478-R493 PolarHBondContact OE1-NH1 3.12Å; E478-H496 WeakPolarHBondContact OE2-CB 3.47Å; E478-H496 IonicContact OE2-CD2 2.72Å; E478-H496 PolarHBondContact OE2-CD2 3.01Å; E478-H496 VanDerWaalsContact OE2-CD2 3.22Å; E478-H496 IonicContact OE2-CG 3.09Å
479	C	78.8	Confident	76.7	Confident	47 Å²	47	68 Å²	68	32%	0.318	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.6	11.3	-178.9	74.7	0	0	0	0	115.8	C476 K481 H492 H496	C476-C479 PolarHBondContact O-N 2.96Å; C479-K481 PolarHBondContact O-N 3.12Å; C479-H492 PolarHBondContact SG-NE2 2.98Å; C479-H496 WeakPolarHBondContact CB-NE2 3.27Å; C479-H496 PolarHBondContact SG-NE2 2.92Å
480	G	77.6	Confident	76.9	Confident	60 Å²	60	67.4 Å²	67.4	62%	0.619	38%	0.377	S	S	*	.			trans	69.5	-6.5	178.3	0	0	0	0	0	116.1	C476 A482	C476-G480 VanDerWaalsContact O-CA 3.32Å; C476-G480 WeakPolarHBondContact O-CA 3.37Å; C476-G480 PolarHBondContact O-N 3.26Å; G480-A482 PolarHBondContact O-N 3.25Å
481	K	77.9	Confident	77.1	Confident	116 Å²	116	69.4 Å²	69.4	50%	0.504	38%	0.375	S	S	.	.			trans	-67.2	130.3	-176.5	-71.4	177	-174.3	165.1	0	111.4	C476 C479 F483	C476-K481 WeakPolarHBondContact CB-O 3.29Å; C476-K481 PolarHBondContact N-O 2.81Å; C479-K481 PolarHBondContact O-N 3.12Å; K481-F483 HydrophobicContact CB-CE2 3.77Å; K481-F483 HydrophobicContact CB-CZ 3.98Å; K481-F483 WeakPolarHBondContact O-CE2 3.02Å
482	A	81.8	Confident	77.4	Confident	35 Å²	35	65.5 Å²	65.5	29%	0.289	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.8	-176.5	0	0	0	0	0	111.7	K472 K475 G480	K472-A482 HydrophobicContact CB-CB 3.53Å; K472-A482 HydrophobicContact CD-CB 4.27Å; K472-A482 WeakPolarHBondContact CD-O 3.47Å; K472-A482 HydrophobicContact CG-CB 4.42Å; K475-A482 HydrophobicContact CG-CB 3.94Å; G480-A482 PolarHBondContact O-N 3.25Å
483	F	79.4	Confident	77.4	Confident	48 Å²	48	64.2 Å²	64.2	21%	0.211	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.6	-175.4	-58.9	-91.5	0	0	0	111.2	K472 Y474 C476 K481 Y485 L489 H492	K472-F483 CarbonylContact C-O 3.44Å; K472-F483 VanDerWaalsContact C-O 3.29Å; K472-F483 VanDerWaalsContact CA-O 3.23Å; K472-F483 WeakPolarHBondContact CA-O 3.45Å; Y474-F483 PolarHBondContact N-O 3.41Å; Y474-F483 VanDerWaalsContact N-O 3.16Å; Y474-F483 PolarHBondContact O-N 3.26Å; C476-F483 HydrophobicContact CB-CE2 4.46Å; K481-F483 HydrophobicContact CB-CE2 3.77Å; K481-F483 HydrophobicContact CB-CZ 3.98Å; K481-F483 WeakPolarHBondContact O-CE2 3.02Å; F483-Y485 VanDerWaalsContact C-N 3.31Å; F483-L489 HydrophobicContact CB-CB 4.48Å; F483-L489 HydrophobicContact CD2-CB 4.14Å; F483-L489 HydrophobicContact CD2-CD1 4.06Å; F483-L489 HydrophobicContact CE2-CD1 4.28Å; F483-L489 HydrophobicContact CG-CB 4.49Å; F483-H492 HydrophobicContact CE1-CB 4.12Å; F483-H492 HydrophobicContact CE2-CB 3.94Å; F483-H492 AromaticContact CE2-CD2 3.25Å; F483-H492 WeakPolarHBondContact CE2-CD2 3.31Å; F483-H492 AromaticContact CE2-CG 3.73Å; F483-H492 HydrophobicContact CZ-CB 3.6Å; F483-H492 AromaticContact CZ-CD2 3.26Å; F483-H492 WeakPolarHBondContact CZ-CD2 3.42Å; F483-H492 AromaticContact CZ-CG 3.34Å; F483-H492 AromaticContact CZ-NE2 3.94Å
484	S	75.7	Confident	77.5	Confident	26 Å²	26	64 Å²	64	18%	0.182	34%	0.338	C	S	.	.	S	Bend	trans	-76.1	-17.2	177.1	50.2	0	0	0	0	113.5	Y474	Y474-S484 WeakPolarHBondContact CE2-O 3.1Å
485	Y	72.4	Confident	77.3	Confident	55 Å²	55	64.4 Å²	64.4	22%	0.216	35%	0.346	C	S	.	.	S	Bend	trans	-132.9	140.3	-177.2	-43	-51.2	0	0	0	111.7	Q463 F483 S487 S488 L489	Q463-Y485 HydrophobicContact CG-CD1 4.18Å; Q463-Y485 HydrophobicContact CG-CE1 3.35Å; F483-Y485 VanDerWaalsContact C-N 3.31Å; Y485-S487 VanDerWaalsContact C-N 3.33Å; Y485-S487 PolarHBondContact O-N 3.03Å; Y485-S488 PolarHBondContact O-N 3.48Å; Y485-L489 PolarHBondContact O-N 3.07Å
486	C	70.6	Confident	77.2	Confident	41 Å²	41	61.6 Å²	61.6	28%	0.277	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-43.1	176.9	-166.5	0	0	0	0	111.8	Y474 S488 L489 T490	Y474-C486 HydrophobicContact CD1-CB 3.7Å; Y474-C486 VanDerWaalsContact CD2-N 3.32Å; Y474-C486 HydrophobicContact CE1-CB 3.58Å; Y474-C486 HydrophobicContact CE2-CB 4.45Å; Y474-C486 HydrophobicContact CG-CB 4.21Å; C486-S488 PolarHBondContact O-N 3.42Å; C486-L489 CarbonylContact O-C 3.52Å; C486-L489 WeakPolarHBondContact O-CA 3.25Å; C486-L489 WeakPolarHBondContact O-CB 3.37Å; C486-L489 PolarHBondContact O-N 3.29Å; C486-T490 PolarHBondContact O-N 3.07Å; C486-T490 PolarHBondContact O-OG1 2.99Å; C486-T490 VanDerWaalsContact O-OG1 3.13Å
487	S	73.3	Confident	76.7	Confident	83 Å²	83	65 Å²	65	58%	0.58	36%	0.356	S	S	*	.	H	α-helix	trans	-58.2	-34.6	177.4	52.6	0	0	0	0	113	Y485 Q491	Y485-S487 VanDerWaalsContact C-N 3.33Å; Y485-S487 PolarHBondContact O-N 3.03Å; S487-Q491 WeakPolarHBondContact O-CB 3.44Å; S487-Q491 PolarHBondContact O-N 3.22Å
488	S	76.9	Confident	76.2	Confident	33 Å²	33	68.6 Å²	68.6	23%	0.231	36%	0.359	C	S	.	.	H	α-helix	trans	-72.1	-32	173.9	-58.8	0	0	0	0	112.9	Y485 C486 H492	Y485-S488 PolarHBondContact O-N 3.48Å; C486-S488 PolarHBondContact O-N 3.42Å; S488-H492 VanDerWaalsContact O-CB 3.24Å; S488-H492 WeakPolarHBondContact O-CB 3.33Å; S488-H492 PolarHBondContact O-N 3.25Å
489	L	78.4	Confident	76	Confident	15 Å²	15	68 Å²	68	8%	0.079	36%	0.356	C	S	.	.	H	α-helix	trans	-68.8	-47	170.7	172.7	61.4	0	0	0	111.3	K475 C476 F483 Y485 C486 Q491 H492 R493	K475-L489 WeakPolarHBondContact O-CD2 3.38Å; C476-L489 HydrophobicContact CB-CD1 3.52Å; F483-L489 HydrophobicContact CB-CB 4.48Å; F483-L489 HydrophobicContact CD2-CB 4.14Å; F483-L489 HydrophobicContact CD2-CD1 4.06Å; F483-L489 HydrophobicContact CE2-CD1 4.28Å; F483-L489 HydrophobicContact CG-CB 4.49Å; Y485-L489 PolarHBondContact O-N 3.07Å; C486-L489 CarbonylContact O-C 3.52Å; C486-L489 WeakPolarHBondContact O-CA 3.25Å; C486-L489 WeakPolarHBondContact O-CB 3.37Å; C486-L489 PolarHBondContact O-N 3.29Å; L489-Q491 VanDerWaalsContact C-N 3.32Å; L489-Q491 PolarHBondContact O-N 3.31Å; L489-H492 WeakPolarHBondContact O-CA 3.33Å; L489-H492 WeakPolarHBondContact O-CB 3.44Å; L489-H492 PolarHBondContact O-N 3.02Å; L489-R493 HydrophobicContact CD1-CG 4.38Å; L489-R493 PolarHBondContact O-N 3.12Å
490	T	75.6	Confident	76	Confident	67 Å²	67	71.7 Å²	71.7	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-43.3	175.7	-48.9	0	0	0	0	111.1	C486 H492 R493	C486-T490 PolarHBondContact O-N 3.07Å; C486-T490 PolarHBondContact O-OG1 2.99Å; C486-T490 VanDerWaalsContact O-OG1 3.13Å; T490-H492 VanDerWaalsContact C-N 3.27Å; T490-H492 PolarHBondContact O-N 2.94Å; T490-R493 PolarHBondContact O-N 3.02Å
491	Q	75	Confident	76	Confident	83 Å²	83	72.3 Å²	72.3	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-36.9	172.7	-173.3	-179.3	22.4	0	0	112.1	S487 L489 Y513	S487-Q491 WeakPolarHBondContact O-CB 3.44Å; S487-Q491 PolarHBondContact O-N 3.22Å; L489-Q491 VanDerWaalsContact C-N 3.32Å; L489-Q491 PolarHBondContact O-N 3.31Å; Q491-Y513 HydrophobicContact CG-CD1 3.74Å; Q491-Y513 HydrophobicContact CG-CE1 3.19Å
492	H	79.4	Confident	76.2	Confident	14 Å²	14	69.4 Å²	69.4	7%	0.065	35%	0.347	C	S	.	.	H	α-helix	trans	-72.4	-39.2	180	177.7	42.8	0	0	0	113.7	C479 F483 S488 L489 T490 R494 I495	C479-H492 PolarHBondContact SG-NE2 2.98Å; F483-H492 HydrophobicContact CE1-CB 4.12Å; F483-H492 HydrophobicContact CE2-CB 3.94Å; F483-H492 AromaticContact CE2-CD2 3.25Å; F483-H492 WeakPolarHBondContact CE2-CD2 3.31Å; F483-H492 AromaticContact CE2-CG 3.73Å; F483-H492 HydrophobicContact CZ-CB 3.6Å; F483-H492 AromaticContact CZ-CD2 3.26Å; F483-H492 WeakPolarHBondContact CZ-CD2 3.42Å; F483-H492 AromaticContact CZ-CG 3.34Å; F483-H492 AromaticContact CZ-NE2 3.94Å; S488-H492 VanDerWaalsContact O-CB 3.24Å; S488-H492 WeakPolarHBondContact O-CB 3.33Å; S488-H492 PolarHBondContact O-N 3.25Å; L489-H492 WeakPolarHBondContact O-CA 3.33Å; L489-H492 WeakPolarHBondContact O-CB 3.44Å; L489-H492 PolarHBondContact O-N 3.02Å; T490-H492 VanDerWaalsContact C-N 3.27Å; T490-H492 PolarHBondContact O-N 2.94Å; H492-R494 PolarHBondContact O-N 3.42Å; H492-R494 VanDerWaalsContact O-N 3.13Å; H492-I495 VanDerWaalsContact O-CB 3.3Å; H492-I495 WeakPolarHBondContact O-CB 3.37Å; H492-I495 WeakPolarHBondContact O-CG1 3.43Å; H492-I495 PolarHBondContact O-N 3.12Å
493	R	77.1	Confident	76.2	Confident	94 Å²	94	73 Å²	73	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-56.1	-30.7	-179	-73.6	-170.9	-172.6	-107.9	20.7	113.2	E478 L489 T490 I495 H496 T497	E478-R493 IonicContact OE1-CZ 3.38Å; E478-R493 IonicContact OE1-NH1 3.66Å; E478-R493 PolarHBondContact OE1-NH1 3.12Å; L489-R493 HydrophobicContact CD1-CG 4.38Å; L489-R493 PolarHBondContact O-N 3.12Å; T490-R493 PolarHBondContact O-N 3.02Å; R493-I495 PolarHBondContact O-N 3.01Å; R493-H496 WeakPolarHBondContact O-CB 3.43Å; R493-H496 PolarHBondContact O-N 3.33Å; R493-T497 PolarHBondContact O-N 2.85Å; R493-T497 VanDerWaalsContact O-N 3.14Å
494	R	79.6	Confident	76.5	Confident	68 Å²	68	70.8 Å²	70.8	26%	0.257	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.9	172.6	-62	-175.5	179.8	169.2	2.9	114.9	H492 R498 E499 S512	H492-R494 PolarHBondContact O-N 3.42Å; H492-R494 VanDerWaalsContact O-N 3.13Å; R494-R498 WeakPolarHBondContact O-CA 3.44Å; R494-R498 PolarHBondContact O-N 3.03Å; R494-E499 HydrophobicContact CB-CB 4.46Å; R494-E499 HydrophobicContact CG-CB 4.33Å; R494-S512 PolarHBondContact NH1-O 3.41Å
495	I	75.9	Confident	76.8	Confident	97 Å²	97	77 Å²	77	50%	0.497	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.9	173.4	-58.6	-175.2	0	0	0	111.1	H492 R493	H492-I495 VanDerWaalsContact O-CB 3.3Å; H492-I495 WeakPolarHBondContact O-CB 3.37Å; H492-I495 WeakPolarHBondContact O-CG1 3.43Å; H492-I495 PolarHBondContact O-N 3.12Å; R493-I495 PolarHBondContact O-N 3.01Å
496	H	75.1	Confident	77.1	Confident	78 Å²	78	79.6 Å²	79.6	36%	0.361	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-48.8	-178.9	-55.1	-50.8	0	0	0	111.6	E478 C479 R493 R498	E478-H496 WeakPolarHBondContact OE2-CB 3.47Å; E478-H496 IonicContact OE2-CD2 2.72Å; E478-H496 PolarHBondContact OE2-CD2 3.01Å; E478-H496 VanDerWaalsContact OE2-CD2 3.22Å; E478-H496 IonicContact OE2-CG 3.09Å; C479-H496 WeakPolarHBondContact CB-NE2 3.27Å; C479-H496 PolarHBondContact SG-NE2 2.92Å; R493-H496 WeakPolarHBondContact O-CB 3.43Å; R493-H496 PolarHBondContact O-N 3.33Å; H496-R498 PolarHBondContact O-N 2.89Å
497	T	72.9	Confident	77.7	Confident	74 Å²	74	80 Å²	80	45%	0.454	40%	0.396	S	S	.	.	S	Bend	trans	-68.4	-13.1	174.7	63.9	0	0	0	0	113	R493 E499	R493-T497 PolarHBondContact O-N 2.85Å; R493-T497 VanDerWaalsContact O-N 3.14Å; T497-E499 WeakPolarHBondContact CB-OE1 3.49Å; T497-E499 WeakPolarHBondContact CG2-OE1 3.42Å; T497-E499 PolarHBondContact O-N 3.5Å; T497-E499 VanDerWaalsContact O-N 3.12Å; T497-E499 WeakPolarHBondContact OG1-CG 3.46Å; T497-E499 PolarHBondContact OG1-OE1 2.96Å
498	R	69.8	Low	78	Confident	213 Å²	213	78.2 Å²	78.2	80%	0.804	39%	0.391	S	S	*	.			trans	59.9	11.4	-176.2	-57.8	-178.3	177.4	178.9	1.3	114.7	R494 H496 K500	R494-R498 WeakPolarHBondContact O-CA 3.44Å; R494-R498 PolarHBondContact O-N 3.03Å; H496-R498 PolarHBondContact O-N 2.89Å; R498-K500 PolarHBondContact O-N 3.37Å
499	E	73.6	Confident	78.2	Confident	80 Å²	80	82.1 Å²	82.1	37%	0.374	40%	0.404	S	S	.	.			trans	-51.4	132.3	175.9	-77.9	159.1	-126.2	0	0	112.1	R494 T497 P501	R494-E499 HydrophobicContact CB-CB 4.46Å; R494-E499 HydrophobicContact CG-CB 4.33Å; T497-E499 WeakPolarHBondContact CB-OE1 3.49Å; T497-E499 WeakPolarHBondContact CG2-OE1 3.42Å; T497-E499 PolarHBondContact O-N 3.5Å; T497-E499 VanDerWaalsContact O-N 3.12Å; T497-E499 WeakPolarHBondContact OG1-CG 3.46Å; T497-E499 PolarHBondContact OG1-OE1 2.96Å; E499-P501 HydrophobicContact CB-CG 4.42Å
500	K	77.2	Confident	78.4	Confident	125 Å²	125	82.7 Å²	82.7	54%	0.543	41%	0.411	S	S	.	.			trans	-132.1	70.9	177	-73.1	162.8	155.9	-140.2	0	110.2	R498 F502 A510 F511	R498-K500 PolarHBondContact O-N 3.37Å; K500-F502 PolarHBondContact O-N 2.99Å; K500-A510 HydrophobicContact CB-CB 3.6Å; K500-A510 HydrophobicContact CD-CB 4.1Å; K500-A510 VanDerWaalsContact CD-O 3.31Å; K500-A510 WeakPolarHBondContact CD-O 3.48Å; K500-A510 WeakPolarHBondContact CE-O 3.32Å; K500-A510 HydrophobicContact CG-CB 4.45Å; K500-A510 PolarHBondContact NZ-O 3.43Å; K500-F511 CarbonylContact C-O 3.55Å; K500-F511 WeakPolarHBondContact CA-O 3.29Å
501	P	79.3	Confident	78.7	Confident	74 Å²	74	81.8 Å²	81.8	48%	0.481	40%	0.401	S	S	.	.			trans	-69.7	-1.1	-169.7	-18.9	33.9	0	0	0	115.1	E499	E499-P501 HydrophobicContact CB-CG 4.42Å
502	F	81.1	Confident	78.9	Confident	55 Å²	55	79.2 Å²	79.2	24%	0.241	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	93	-174.4	-53.7	-72.7	0	0	0	109.7	K500 F511 S512 Y513 L514 L517	K500-F502 PolarHBondContact O-N 2.99Å; F502-F511 PolarHBondContact N-O 3.18Å; F502-F511 PolarHBondContact O-N 3.49Å; F502-S512 WeakPolarHBondContact CE2-O 3.38Å; F502-Y513 VanDerWaalsContact CD2-C 3.43Å; F502-L514 HydrophobicContact CD1-CB 3.88Å; F502-L514 HydrophobicContact CD1-CD1 3.82Å; F502-L514 HydrophobicContact CD1-CG 4.4Å; F502-L514 HydrophobicContact CD2-CB 4.41Å; F502-L514 VanDerWaalsContact CD2-N 3.27Å; F502-L514 HydrophobicContact CE1-CB 3.82Å; F502-L514 HydrophobicContact CE1-CD1 4.26Å; F502-L514 HydrophobicContact CE1-CG 4.46Å; F502-L514 HydrophobicContact CE2-CB 4.34Å; F502-L514 HydrophobicContact CG-CB 4.17Å; F502-L514 HydrophobicContact CG-CD1 4.46Å; F502-L514 HydrophobicContact CZ-CB 4.05Å; F502-L517 HydrophobicContact CB-CB 4.04Å; F502-L517 HydrophobicContact CB-CD2 3.81Å
503	E	82.2	Confident	78.7	Confident	111 Å²	111	80.9 Å²	80.9	52%	0.519	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	149.2	178.1	-166.9	163.6	164.6	0	0	112.7	G508 A510 L517	E503-G508 VanDerWaalsContact OE1-CA 3.27Å; E503-G508 WeakPolarHBondContact OE1-CA 3.31Å; E503-A510 HydrophobicContact CB-CB 4.43Å; E503-A510 HydrophobicContact CG-CB 4.41Å; E503-L517 VanDerWaalsContact O-CD2 3.26Å; E503-L517 WeakPolarHBondContact O-CD2 3.45Å
504	C	86.3	Confident	78.7	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	101.7	176.5	-165.4	0	0	0	0	110.3	E506 C507 G508 K509 F511 L517 H520 H524	C504-E506 PolarHBondContact O-N 3.45Å; C504-C507 PolarHBondContact O-N 2.82Å; C504-G508 PolarHBondContact O-N 2.82Å; C504-K509 HydrophobicContact CB-CB 4.43Å; C504-K509 WeakPolarHBondContact CB-O 3.41Å; C504-K509 PolarHBondContact N-O 3.31Å; C504-F511 HydrophobicContact CB-CE2 4.49Å; C504-L517 HydrophobicContact CB-CD1 3.51Å; C504-H520 VanDerWaalsContact SG-CD2 3.6Å; C504-H524 VanDerWaalsContact SG-CD2 3.55Å; C504-H524 PolarHBondContact SG-NE2 3.32Å; C504-H524 VanDerWaalsContact SG-NE2 3.37Å
505	N	81	Confident	78.7	Confident	156 Å²	156	80.9 Å²	80.9	83%	0.834	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-29.8	-178.8	-56.5	10.1	0	0	0	113.7
506	E	78.9	Confident	79	Confident	111 Å²	111	79.1 Å²	79.1	52%	0.519	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.8	-179.2	-61.8	168.7	114.3	0	0	114.4	C504 H524	C504-E506 PolarHBondContact O-N 3.45Å; E506-H524 IonicContact OE2-CD2 3.75Å; E506-H524 PolarHBondContact OE2-CD2 3.36Å; E506-H524 IonicContact OE2-CG 3.51Å
507	C	82.6	Confident	79.3	Confident	49 Å²	49	76 Å²	76	33%	0.331	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.7	16.6	-178.3	81.2	0	0	0	0	117	C504 K509 H520 H524	C504-C507 PolarHBondContact O-N 2.82Å; C507-K509 PolarHBondContact O-N 3.1Å; C507-K509 VanDerWaalsContact O-N 3.1Å; C507-K509 VanDerWaalsContact SG-CD 3.54Å; C507-K509 VanDerWaalsContact SG-CG 3.56Å; C507-H520 PolarHBondContact SG-NE2 2.9Å; C507-H524 PolarHBondContact SG-CE1 3.1Å; C507-H524 PolarHBondContact SG-NE2 3.27Å; C507-H524 VanDerWaalsContact SG-NE2 3.38Å
508	G	79.7	Confident	79.7	Confident	46 Å²	46	76.1 Å²	76.1	47%	0.474	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	15.7	177.3	0	0	0	0	0	116	E503 C504 A510	E503-G508 VanDerWaalsContact OE1-CA 3.27Å; E503-G508 WeakPolarHBondContact OE1-CA 3.31Å; C504-G508 PolarHBondContact O-N 2.82Å; G508-A510 PolarHBondContact O-N 3.2Å
509	K	81.3	Confident	80	Confident	115 Å²	115	69.6 Å²	69.6	50%	0.5	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.9	-178.1	-75.9	175.8	-167.9	145.6	0	110.3	C504 C507 F511	C504-K509 HydrophobicContact CB-CB 4.43Å; C504-K509 WeakPolarHBondContact CB-O 3.41Å; C504-K509 PolarHBondContact N-O 3.31Å; C507-K509 PolarHBondContact O-N 3.1Å; C507-K509 VanDerWaalsContact O-N 3.1Å; C507-K509 VanDerWaalsContact SG-CD 3.54Å; C507-K509 VanDerWaalsContact SG-CG 3.56Å; K509-F511 HydrophobicContact CB-CE2 3.76Å; K509-F511 HydrophobicContact CB-CZ 4.13Å; K509-F511 WeakPolarHBondContact O-CD2 3.45Å; K509-F511 WeakPolarHBondContact O-CE2 3.26Å
510	A	83.8	Confident	80.4	Confident	26 Å²	26	66.8 Å²	66.8	22%	0.215	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.2	178.5	0	0	0	0	0	113.5	K500 E503 G508	K500-A510 HydrophobicContact CB-CB 3.6Å; K500-A510 HydrophobicContact CD-CB 4.1Å; K500-A510 VanDerWaalsContact CD-O 3.31Å; K500-A510 WeakPolarHBondContact CD-O 3.48Å; K500-A510 WeakPolarHBondContact CE-O 3.32Å; K500-A510 HydrophobicContact CG-CB 4.45Å; K500-A510 PolarHBondContact NZ-O 3.43Å; E503-A510 HydrophobicContact CB-CB 4.43Å; E503-A510 HydrophobicContact CG-CB 4.41Å; G508-A510 PolarHBondContact O-N 3.2Å
511	F	81.4	Confident	80.5	Confident	49 Å²	49	63.9 Å²	63.9	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.3	-177	-62.1	-93	0	0	0	112.2	K500 F502 C504 K509 N516 L517 H520	K500-F511 CarbonylContact C-O 3.55Å; K500-F511 WeakPolarHBondContact CA-O 3.29Å; F502-F511 PolarHBondContact N-O 3.18Å; F502-F511 PolarHBondContact O-N 3.49Å; C504-F511 HydrophobicContact CB-CE2 4.49Å; K509-F511 HydrophobicContact CB-CE2 3.76Å; K509-F511 HydrophobicContact CB-CZ 4.13Å; K509-F511 WeakPolarHBondContact O-CD2 3.45Å; K509-F511 WeakPolarHBondContact O-CE2 3.26Å; F511-N516 HydrophobicContact CB-CB 4.26Å; F511-N516 HydrophobicContact CD1-CB 3.81Å; F511-N516 HydrophobicContact CG-CB 4.27Å; F511-L517 HydrophobicContact CD2-CB 4.23Å; F511-L517 HydrophobicContact CD2-CD1 4.2Å; F511-L517 HydrophobicContact CE2-CD1 4.46Å; F511-H520 HydrophobicContact CE1-CB 4.23Å; F511-H520 HydrophobicContact CE2-CB 3.96Å; F511-H520 AromaticContact CE2-CD2 3.26Å; F511-H520 WeakPolarHBondContact CE2-CD2 3.49Å; F511-H520 AromaticContact CE2-CG 3.79Å; F511-H520 HydrophobicContact CZ-CB 3.61Å; F511-H520 AromaticContact CZ-CD2 3.33Å; F511-H520 WeakPolarHBondContact CZ-CD2 3.43Å; F511-H520 AromaticContact CZ-CG 3.45Å; F511-H520 VanDerWaalsContact CZ-CG 3.45Å
512	S	78.8	Confident	80.4	Confident	29 Å²	29	65.5 Å²	65.5	20%	0.203	34%	0.344	C	S	.	.	S	Bend	trans	-77.2	-19.8	178	52.7	0	0	0	0	114.5	R494 F502	R494-S512 PolarHBondContact NH1-O 3.41Å; F502-S512 WeakPolarHBondContact CE2-O 3.38Å
513	Y	76.3	Confident	80.1	Confident	49 Å²	49	65.4 Å²	65.4	19%	0.192	35%	0.348	C	S	.	.	S	Bend	trans	-133.3	134.8	-178.4	-42.3	-43.4	0	0	0	111.5	Q491 F502 S515 N516 L517	Q491-Y513 HydrophobicContact CG-CD1 3.74Å; Q491-Y513 HydrophobicContact CG-CE1 3.19Å; F502-Y513 VanDerWaalsContact CD2-C 3.43Å; Y513-S515 PolarHBondContact O-N 3.2Å; Y513-N516 WeakPolarHBondContact O-CB 3.45Å; Y513-N516 PolarHBondContact O-N 3Å; Y513-L517 PolarHBondContact O-N 3.1Å
514	L	77.1	Confident	79.7	Confident	88 Å²	88	62.9 Å²	62.9	46%	0.461	34%	0.337	S	S	.	.	H	α-helix	trans	-56.4	-37	176.1	-175.7	62	0	0	0	112.6	F502 N516 L517 N518	F502-L514 HydrophobicContact CD1-CB 3.88Å; F502-L514 HydrophobicContact CD1-CD1 3.82Å; F502-L514 HydrophobicContact CD1-CG 4.4Å; F502-L514 HydrophobicContact CD2-CB 4.41Å; F502-L514 VanDerWaalsContact CD2-N 3.27Å; F502-L514 HydrophobicContact CE1-CB 3.82Å; F502-L514 HydrophobicContact CE1-CD1 4.26Å; F502-L514 HydrophobicContact CE1-CG 4.46Å; F502-L514 HydrophobicContact CE2-CB 4.34Å; F502-L514 HydrophobicContact CG-CB 4.17Å; F502-L514 HydrophobicContact CG-CD1 4.46Å; F502-L514 HydrophobicContact CZ-CB 4.05Å; L514-N516 PolarHBondContact O-N 2.96Å; L514-N516 VanDerWaalsContact O-N 3.14Å; L514-L517 HydrophobicContact CD1-CD2 4.22Å; L514-L517 PolarHBondContact O-N 2.86Å; L514-L517 VanDerWaalsContact O-N 3.12Å; L514-N518 VanDerWaalsContact CD1-OD1 3.22Å; L514-N518 WeakPolarHBondContact CD1-OD1 3.27Å; L514-N518 PolarHBondContact O-N 3.09Å; L514-N518 PolarHBondContact O-OD1 2.95Å
515	S	78.3	Confident	78.7	Confident	74 Å²	74	66.4 Å²	66.4	52%	0.517	36%	0.358	S	S	.	.	H	α-helix	trans	-57.1	-29.9	174.4	60.4	0	0	0	0	113.6	Y513 Q519	Y513-S515 PolarHBondContact O-N 3.2Å; S515-Q519 WeakPolarHBondContact O-CB 3.46Å; S515-Q519 PolarHBondContact O-N 3.03Å
516	N	81.6	Confident	77.8	Confident	59 Å²	59	65.9 Å²	65.9	32%	0.316	35%	0.351	S	S	.	.	H	α-helix	trans	-83.7	-35.5	179	-65	2.9	0	0	0	111.1	F511 Y513 L514 Q519 H520	F511-N516 HydrophobicContact CB-CB 4.26Å; F511-N516 HydrophobicContact CD1-CB 3.81Å; F511-N516 HydrophobicContact CG-CB 4.27Å; Y513-N516 WeakPolarHBondContact O-CB 3.45Å; Y513-N516 PolarHBondContact O-N 3Å; L514-N516 PolarHBondContact O-N 2.96Å; L514-N516 VanDerWaalsContact O-N 3.14Å; N516-Q519 PolarHBondContact O-N 2.94Å; N516-H520 WeakPolarHBondContact O-CB 3.24Å; N516-H520 PolarHBondContact O-N 3.24Å
517	L	82.9	Confident	77.1	Confident	12 Å²	12	66.1 Å²	66.1	6%	0.063	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-53	171.1	172.8	59.6	0	0	0	110.8	F502 E503 C504 F511 Y513 L514 Q519 H520 Q521	F502-L517 HydrophobicContact CB-CB 4.04Å; F502-L517 HydrophobicContact CB-CD2 3.81Å; E503-L517 VanDerWaalsContact O-CD2 3.26Å; E503-L517 WeakPolarHBondContact O-CD2 3.45Å; C504-L517 HydrophobicContact CB-CD1 3.51Å; F511-L517 HydrophobicContact CD2-CB 4.23Å; F511-L517 HydrophobicContact CD2-CD1 4.2Å; F511-L517 HydrophobicContact CE2-CD1 4.46Å; Y513-L517 PolarHBondContact O-N 3.1Å; L514-L517 HydrophobicContact CD1-CD2 4.22Å; L514-L517 PolarHBondContact O-N 2.86Å; L514-L517 VanDerWaalsContact O-N 3.12Å; L517-Q519 PolarHBondContact O-N 3.26Å; L517-Q519 VanDerWaalsContact O-N 3.16Å; L517-H520 CarbonylContact O-C 3.54Å; L517-H520 WeakPolarHBondContact O-CA 3.46Å; L517-H520 WeakPolarHBondContact O-CB 3.5Å; L517-H520 PolarHBondContact O-N 3.3Å; L517-Q521 HydrophobicContact CD1-CG 4.04Å; L517-Q521 HydrophobicContact CG-CG 4.47Å; L517-Q521 PolarHBondContact O-N 3.39Å
518	N	80.3	Confident	76.2	Confident	78 Å²	78	69 Å²	69	42%	0.417	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-29.7	179.5	-61.7	21.4	0	0	0	112.1	L514	L514-N518 VanDerWaalsContact CD1-OD1 3.22Å; L514-N518 WeakPolarHBondContact CD1-OD1 3.27Å; L514-N518 PolarHBondContact O-N 3.09Å; L514-N518 PolarHBondContact O-OD1 2.95Å
519	Q	76.8	Confident	75.7	Confident	76 Å²	76	70.4 Å²	70.4	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-81.9	-14.4	174.1	-173.8	172.6	87	0	0	113.4	S515 N516 L517	S515-Q519 WeakPolarHBondContact O-CB 3.46Å; S515-Q519 PolarHBondContact O-N 3.03Å; N516-Q519 PolarHBondContact O-N 2.94Å; L517-Q519 PolarHBondContact O-N 3.26Å; L517-Q519 VanDerWaalsContact O-N 3.16Å
520	H	81.8	Confident	75.5	Confident	21 Å²	21	69.6 Å²	69.6	10%	0.097	36%	0.361	C	S	.	.	H	α-helix	trans	-92.5	-35.4	173	175.2	43.6	0	0	0	112.6	C504 C507 F511 N516 L517 K522 T523 H524	C504-H520 VanDerWaalsContact SG-CD2 3.6Å; C507-H520 PolarHBondContact SG-NE2 2.9Å; F511-H520 HydrophobicContact CE1-CB 4.23Å; F511-H520 HydrophobicContact CE2-CB 3.96Å; F511-H520 AromaticContact CE2-CD2 3.26Å; F511-H520 WeakPolarHBondContact CE2-CD2 3.49Å; F511-H520 AromaticContact CE2-CG 3.79Å; F511-H520 HydrophobicContact CZ-CB 3.61Å; F511-H520 AromaticContact CZ-CD2 3.33Å; F511-H520 WeakPolarHBondContact CZ-CD2 3.43Å; F511-H520 AromaticContact CZ-CG 3.45Å; F511-H520 VanDerWaalsContact CZ-CG 3.45Å; N516-H520 WeakPolarHBondContact O-CB 3.24Å; N516-H520 PolarHBondContact O-N 3.24Å; L517-H520 CarbonylContact O-C 3.54Å; L517-H520 WeakPolarHBondContact O-CA 3.46Å; L517-H520 WeakPolarHBondContact O-CB 3.5Å; L517-H520 PolarHBondContact O-N 3.3Å; H520-K522 PolarHBondContact O-N 3.23Å; H520-T523 PolarHBondContact CE1-OG1 2.89Å; H520-T523 VanDerWaalsContact CE1-OG1 3.32Å; H520-T523 PolarHBondContact ND1-OG1 2.79Å; H520-T523 WeakPolarHBondContact O-CA 3.17Å; H520-T523 VanDerWaalsContact O-CB 3.26Å; H520-T523 WeakPolarHBondContact O-CB 3.43Å; H520-T523 WeakPolarHBondContact O-CG2 3.34Å; H520-T523 PolarHBondContact O-N 3.39Å; H520-T523 PolarHBondContact O-OG1 3.15Å; H520-H524 AromaticContact CD2-NE2 3.85Å; H520-H524 AromaticContact CE1-CE1 3.59Å; H520-H524 AromaticContact CE1-NE2 3.31Å; H520-H524 PolarHBondContact CE1-NE2 3.09Å; H520-H524 VanDerWaalsContact CE1-NE2 3.31Å; H520-H524 AromaticContact NE2-CE1 3.72Å; H520-H524 AromaticContact NE2-NE2 3.13Å; H520-H524 PolarHBondContact NE2-NE2 3.49Å; H520-H524 VanDerWaalsContact NE2-NE2 3.13Å
521	Q	78.8	Confident	75.5	Confident	64 Å²	64	74.1 Å²	74.1	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-57.5	-36.9	173.7	-72.7	165.9	-47.3	0	0	111.5	L517 T523 H524 T525	L517-Q521 HydrophobicContact CD1-CG 4.04Å; L517-Q521 HydrophobicContact CG-CG 4.47Å; L517-Q521 PolarHBondContact O-N 3.39Å; Q521-T523 PolarHBondContact O-N 3.39Å; Q521-H524 PolarHBondContact O-N 2.91Å; Q521-T525 PolarHBondContact O-N 3.37Å
522	K	77.8	Confident	75.7	Confident	107 Å²	107	71.9 Å²	71.9	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-1.2	168.8	-65.7	177.6	176.5	-81	0	115.4	H520 I540	H520-K522 PolarHBondContact O-N 3.23Å; K522-I540 HydrophobicContact CB-CG2 3.81Å; K522-I540 WeakPolarHBondContact O-CG2 2.98Å
523	T	74.3	Confident	75.8	Confident	53 Å²	53	80.4 Å²	80.4	33%	0.325	40%	0.401	S	S	.	.	H	α-helix	trans	-95.1	-19.7	169.2	74.1	0	0	0	0	112.8	H520 Q521 I540	H520-T523 PolarHBondContact CE1-OG1 2.89Å; H520-T523 VanDerWaalsContact CE1-OG1 3.32Å; H520-T523 PolarHBondContact ND1-OG1 2.79Å; H520-T523 WeakPolarHBondContact O-CA 3.17Å; H520-T523 VanDerWaalsContact O-CB 3.26Å; H520-T523 WeakPolarHBondContact O-CB 3.43Å; H520-T523 WeakPolarHBondContact O-CG2 3.34Å; H520-T523 PolarHBondContact O-N 3.39Å; H520-T523 PolarHBondContact O-OG1 3.15Å; Q521-T523 PolarHBondContact O-N 3.39Å; T523-I540 HydrophobicContact CG2-CD1 4.01Å; T523-I540 HydrophobicContact CG2-CG2 4.38Å
524	H	74.1	Confident	76	Confident	58 Å²	58	84.2 Å²	84.2	27%	0.269	42%	0.421	S	S	.	.	H	α-helix	trans	-88.1	-43.4	176.2	-59.9	-53	0	0	0	111.5	C504 E506 C507 H520 Q521 Q526	C504-H524 VanDerWaalsContact SG-CD2 3.55Å; C504-H524 PolarHBondContact SG-NE2 3.32Å; C504-H524 VanDerWaalsContact SG-NE2 3.37Å; E506-H524 IonicContact OE2-CD2 3.75Å; E506-H524 PolarHBondContact OE2-CD2 3.36Å; E506-H524 IonicContact OE2-CG 3.51Å; C507-H524 PolarHBondContact SG-CE1 3.1Å; C507-H524 PolarHBondContact SG-NE2 3.27Å; C507-H524 VanDerWaalsContact SG-NE2 3.38Å; H520-H524 AromaticContact CD2-NE2 3.85Å; H520-H524 AromaticContact CE1-CE1 3.59Å; H520-H524 AromaticContact CE1-NE2 3.31Å; H520-H524 PolarHBondContact CE1-NE2 3.09Å; H520-H524 VanDerWaalsContact CE1-NE2 3.31Å; H520-H524 AromaticContact NE2-CE1 3.72Å; H520-H524 AromaticContact NE2-NE2 3.13Å; H520-H524 PolarHBondContact NE2-NE2 3.49Å; H520-H524 VanDerWaalsContact NE2-NE2 3.13Å; Q521-H524 PolarHBondContact O-N 2.91Å; H524-Q526 PolarHBondContact O-N 3.38Å
525	T	66.3	Low	76.3	Confident	74 Å²	74	82.5 Å²	82.5	45%	0.454	42%	0.415	S	S	.	.	S	Bend	trans	-63.8	-5.6	176.6	65.2	0	0	0	0	114.5	Q521 E527	Q521-T525 PolarHBondContact O-N 3.37Å; T525-E527 PolarHBondContact O-N 3.34Å
526	Q	61.6	Low	76.3	Confident	145 Å²	145	81.3 Å²	81.3	68%	0.678	41%	0.414	S	S	*	.			trans	51.7	10.7	-174.7	-62.6	-158.2	10	0	0	116.5	H524 K528	H524-Q526 PolarHBondContact O-N 3.38Å; Q526-K528 VanDerWaalsContact C-N 3.27Å; Q526-K528 PolarHBondContact O-N 3.46Å
527	E	63.8	Low	76.3	Confident	116 Å²	116	84.2 Å²	84.2	54%	0.542	42%	0.424	S	S	.	.			trans	-64.9	80.6	175.4	-68.1	-173.7	131	0	0	111.9	T525 A529	T525-E527 PolarHBondContact O-N 3.34Å; E527-A529 PolarHBondContact O-N 3.27Å
528	K	63.4	Low	76.2	Confident	109 Å²	109	85.3 Å²	85.3	47%	0.474	44%	0.435	S	S	.	.			trans	-75.7	58.5	171.4	-63.1	166.8	-172.3	163.4	0	110.2	Q526 Y530 A538 F539 I540	Q526-K528 VanDerWaalsContact C-N 3.27Å; Q526-K528 PolarHBondContact O-N 3.46Å; K528-Y530 PolarHBondContact O-N 3.41Å; K528-A538 HydrophobicContact CB-CB 3.46Å; K528-A538 VanDerWaalsContact CB-CB 3.46Å; K528-A538 HydrophobicContact CD-CB 3.95Å; K528-A538 HydrophobicContact CG-CB 4.3Å; K528-F539 CarbonylContact C-O 3.16Å; K528-F539 WeakPolarHBondContact CA-O 3.48Å; K528-I540 HydrophobicContact CG-CG1 4.19Å
529	A	69.8	Low	76.2	Confident	76 Å²	76	84 Å²	84	63%	0.628	43%	0.425	S	S	*	.			trans	-61.2	2.3	-170.4	0	0	0	0	0	116.3	E527 F539	E527-A529 PolarHBondContact O-N 3.27Å; A529-F539 PolarHBondContact N-O 2.88Å
530	Y	78	Confident	76.2	Confident	99 Å²	99	82.9 Å²	82.9	39%	0.388	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	87.4	-179.1	-56.9	-80.3	0	0	0	110.1	K528 F539	K528-Y530 PolarHBondContact O-N 3.41Å; Y530-F539 WeakPolarHBondContact CB-O 3.25Å; Y530-F539 PolarHBondContact N-O 3.25Å; Y530-F539 VanDerWaalsContact N-O 3.1Å; Y530-F539 PolarHBondContact O-N 3.03Å
531	E	81.9	Confident	76.1	Confident	121 Å²	121	86.6 Å²	86.6	57%	0.565	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.4	179.8	-172.1	172.6	-178.4	0	0	113.6	K533 G536 A538	E531-K533 PolarHBondContact O-N 3.06Å; E531-G536 WeakPolarHBondContact OE1-CA 3.24Å; E531-A538 HydrophobicContact CB-CB 4.11Å; E531-A538 HydrophobicContact CG-CB 4.18Å
532	C	86.5	Confident	76.2	Confident	1 Å²	1	86.7 Å²	86.7	1%	0.007	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	104.8	172.6	-172.6	0	0	0	0	111.4	E534 C535 G536 K537 F539 L545 H548 H552	C532-E534 PolarHBondContact O-N 3.22Å; C532-C535 PolarHBondContact O-N 3.16Å; C532-C535 VanDerWaalsContact O-N 3.1Å; C532-G536 PolarHBondContact O-N 3.32Å; C532-K537 HydrophobicContact CB-CB 4.47Å; C532-K537 VanDerWaalsContact CB-O 3.25Å; C532-K537 WeakPolarHBondContact CB-O 3.37Å; C532-K537 PolarHBondContact N-O 2.86Å; C532-F539 HydrophobicContact CB-CE2 4.47Å; C532-L545 HydrophobicContact CB-CD1 3.54Å; C532-H548 VanDerWaalsContact SG-CD2 3.5Å; C532-H552 PolarHBondContact SG-CD2 2.91Å; C532-H552 PolarHBondContact SG-NE2 2.89Å
533	K	80.5	Confident	76.4	Confident	209 Å²	209	84.7 Å²	84.7	91%	0.909	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.6	-178.1	-61.9	-175.3	179.1	-176.4	0	114.6	E531	E531-K533 PolarHBondContact O-N 3.06Å
534	E	80.2	Confident	76.9	Confident	129 Å²	129	84.2 Å²	84.2	60%	0.603	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-15	-177.6	-66.9	-175	-113.9	0	0	114.9	C532 H552	C532-E534 PolarHBondContact O-N 3.22Å; E534-H552 WeakPolarHBondContact OE2-CB 3.48Å
535	C	83.4	Confident	77.4	Confident	52 Å²	52	82.3 Å²	82.3	35%	0.351	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.6	18.1	-180	79.8	0	0	0	0	116.2	C532 K537 H548 H552	C532-C535 PolarHBondContact O-N 3.16Å; C532-C535 VanDerWaalsContact O-N 3.1Å; C535-K537 PolarHBondContact O-N 3.17Å; C535-H548 PolarHBondContact SG-NE2 2.99Å; C535-H552 VanDerWaalsContact SG-CE1 3.51Å; C535-H552 PolarHBondContact SG-NE2 3.32Å; C535-H552 VanDerWaalsContact SG-NE2 3.42Å
536	G	78.8	Confident	78.2	Confident	48 Å²	48	81 Å²	81	50%	0.495	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	13.3	176.6	0	0	0	0	0	115.6	E531 C532 A538	E531-G536 WeakPolarHBondContact OE1-CA 3.24Å; C532-G536 PolarHBondContact O-N 3.32Å; G536-A538 PolarHBondContact O-N 3.32Å
537	K	80.9	Confident	79.3	Confident	121 Å²	121	79 Å²	79	53%	0.526	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.1	-179.1	-75	179.2	-173.3	168.2	0	109.3	C532 C535 F539	C532-K537 HydrophobicContact CB-CB 4.47Å; C532-K537 VanDerWaalsContact CB-O 3.25Å; C532-K537 WeakPolarHBondContact CB-O 3.37Å; C532-K537 PolarHBondContact N-O 2.86Å; C535-K537 PolarHBondContact O-N 3.17Å; K537-F539 HydrophobicContact CB-CE2 3.88Å; K537-F539 HydrophobicContact CB-CZ 4.19Å; K537-F539 VanDerWaalsContact O-CD2 3.25Å; K537-F539 WeakPolarHBondContact O-CD2 3.3Å; K537-F539 WeakPolarHBondContact O-CE2 3.41Å
538	A	80.8	Confident	80.2	Confident	34 Å²	34	74.3 Å²	74.3	28%	0.281	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.4	-178.4	0	0	0	0	0	112.8	K528 E531 G536	K528-A538 HydrophobicContact CB-CB 3.46Å; K528-A538 VanDerWaalsContact CB-CB 3.46Å; K528-A538 HydrophobicContact CD-CB 3.95Å; K528-A538 HydrophobicContact CG-CB 4.3Å; E531-A538 HydrophobicContact CB-CB 4.11Å; E531-A538 HydrophobicContact CG-CB 4.18Å; G536-A538 PolarHBondContact O-N 3.32Å
539	F	80.8	Confident	81.2	Confident	51 Å²	51	72.5 Å²	72.5	22%	0.224	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.3	-172.8	-62.8	-92.5	0	0	0	111.8	K528 A529 Y530 C532 K537 R541 L545 H548	K528-F539 CarbonylContact C-O 3.16Å; K528-F539 WeakPolarHBondContact CA-O 3.48Å; A529-F539 PolarHBondContact N-O 2.88Å; Y530-F539 WeakPolarHBondContact CB-O 3.25Å; Y530-F539 PolarHBondContact N-O 3.25Å; Y530-F539 VanDerWaalsContact N-O 3.1Å; Y530-F539 PolarHBondContact O-N 3.03Å; C532-F539 HydrophobicContact CB-CE2 4.47Å; K537-F539 HydrophobicContact CB-CE2 3.88Å; K537-F539 HydrophobicContact CB-CZ 4.19Å; K537-F539 VanDerWaalsContact O-CD2 3.25Å; K537-F539 WeakPolarHBondContact O-CD2 3.3Å; K537-F539 WeakPolarHBondContact O-CE2 3.41Å; F539-R541 VanDerWaalsContact C-N 3.28Å; F539-R541 PolarHBondContact O-N 3.11Å; F539-L545 HydrophobicContact CB-CB 4.49Å; F539-L545 HydrophobicContact CD2-CB 4.16Å; F539-L545 HydrophobicContact CD2-CD1 4.03Å; F539-L545 HydrophobicContact CE2-CD1 4.27Å; F539-H548 HydrophobicContact CE1-CB 4.24Å; F539-H548 HydrophobicContact CE2-CB 3.86Å; F539-H548 AromaticContact CE2-CD2 3.28Å; F539-H548 WeakPolarHBondContact CE2-CD2 3.4Å; F539-H548 AromaticContact CE2-CG 3.63Å; F539-H548 HydrophobicContact CZ-CB 3.54Å; F539-H548 AromaticContact CZ-CD2 3.51Å; F539-H548 AromaticContact CZ-CG 3.38Å
540	I	77.9	Confident	81.9	Confident	52 Å²	52	71.7 Å²	71.7	27%	0.267	37%	0.37	S	S	.	.	S	Bend	trans	-82.4	-8	179.5	-63.2	157.2	0	0	0	111.7	K522 T523 K528	K522-I540 HydrophobicContact CB-CG2 3.81Å; K522-I540 WeakPolarHBondContact O-CG2 2.98Å; T523-I540 HydrophobicContact CG2-CD1 4.01Å; T523-I540 HydrophobicContact CG2-CG2 4.38Å; K528-I540 HydrophobicContact CG-CG1 4.19Å
541	R	78.3	Confident	82.1	Confident	100 Å²	100	72.4 Å²	72.4	38%	0.377	38%	0.379	S	S	.	.			trans	-142.2	130	-175.7	-51.6	179.2	-169.4	-168.4	-2	110.8	F539 S543 S544 L545	F539-R541 VanDerWaalsContact C-N 3.28Å; F539-R541 PolarHBondContact O-N 3.11Å; R541-S543 PolarHBondContact O-N 3.45Å; R541-S544 WeakPolarHBondContact O-CA 3.31Å; R541-S544 WeakPolarHBondContact O-CB 3.47Å; R541-S544 PolarHBondContact O-N 3.46Å; R541-L545 PolarHBondContact O-N 2.9Å; R541-L545 VanDerWaalsContact O-N 3.16Å
542	S	80.9	Confident	82	Confident	65 Å²	65	69.7 Å²	69.7	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-53.2	-40.8	171.1	51.9	0	0	0	0	112.6	S544 L545 A546	S542-S544 PolarHBondContact O-N 3.25Å; S542-L545 PolarHBondContact O-N 2.98Å; S542-L545 VanDerWaalsContact O-N 3.14Å; S542-A546 WeakPolarHBondContact O-CB 3.26Å; S542-A546 PolarHBondContact O-N 3.22Å
543	S	83.2	Confident	81.7	Confident	65 Å²	65	73.6 Å²	73.6	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-72.1	-3.2	177	64.8	0	0	0	0	115.1	R541 K547	R541-S543 PolarHBondContact O-N 3.45Å; S543-K547 WeakPolarHBondContact O-CD 3.33Å; S543-K547 WeakPolarHBondContact O-CE 3.38Å; S543-K547 WeakPolarHBondContact O-CG 3.35Å; S543-K547 PolarHBondContact O-NZ 3.02Å
544	S	83.3	Confident	81.7	Confident	43 Å²	43	65.4 Å²	65.4	30%	0.301	37%	0.366	S	S	.	.	H	α-helix	trans	-96.1	-41	165.1	-64.2	0	0	0	0	111.1	R541 S542 K547 H548	R541-S544 WeakPolarHBondContact O-CA 3.31Å; R541-S544 WeakPolarHBondContact O-CB 3.47Å; R541-S544 PolarHBondContact O-N 3.46Å; S542-S544 PolarHBondContact O-N 3.25Å; S544-K547 PolarHBondContact O-N 3.43Å; S544-H548 PolarHBondContact O-N 3.12Å
545	L	85.6	Confident	81.6	Confident	19 Å²	19	64.2 Å²	64.2	10%	0.099	36%	0.36	C	S	.	.	H	α-helix	trans	-58	-51.9	172.5	175.9	60.4	0	0	0	111.1	C532 F539 R541 S542 K547 H548 E549	C532-L545 HydrophobicContact CB-CD1 3.54Å; F539-L545 HydrophobicContact CB-CB 4.49Å; F539-L545 HydrophobicContact CD2-CB 4.16Å; F539-L545 HydrophobicContact CD2-CD1 4.03Å; F539-L545 HydrophobicContact CE2-CD1 4.27Å; R541-L545 PolarHBondContact O-N 2.9Å; R541-L545 VanDerWaalsContact O-N 3.16Å; S542-L545 PolarHBondContact O-N 2.98Å; S542-L545 VanDerWaalsContact O-N 3.14Å; L545-K547 PolarHBondContact O-N 3.13Å; L545-H548 CarbonylContact O-C 3.6Å; L545-H548 WeakPolarHBondContact O-CA 3.41Å; L545-H548 WeakPolarHBondContact O-CB 3.19Å; L545-H548 PolarHBondContact O-N 3.18Å; L545-E549 HydrophobicContact CD1-CG 3.82Å; L545-E549 HydrophobicContact CG-CG 4.17Å; L545-E549 WeakPolarHBondContact CG-OE1 3.45Å; L545-E549 WeakPolarHBondContact O-CG 3.38Å; L545-E549 PolarHBondContact O-N 3.21Å
546	A	83.4	Confident	81.7	Confident	47 Å²	47	67.2 Å²	67.2	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-65.6	-2.6	177.4	0	0	0	0	0	115.7	S542 E549 R550	S542-A546 WeakPolarHBondContact O-CB 3.26Å; S542-A546 PolarHBondContact O-N 3.22Å; A546-E549 VanDerWaalsContact CA-OE2 3.28Å; A546-E549 WeakPolarHBondContact CA-OE2 3.46Å; A546-R550 PolarHBondContact O-NE 2.75Å
547	K	82.9	Confident	82	Confident	101 Å²	101	68.4 Å²	68.4	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-100.6	-32.3	166.8	-73.2	173.6	-170.2	155.3	0	112	S543 S544 L545 Y569	S543-K547 WeakPolarHBondContact O-CD 3.33Å; S543-K547 WeakPolarHBondContact O-CE 3.38Å; S543-K547 WeakPolarHBondContact O-CG 3.35Å; S543-K547 PolarHBondContact O-NZ 3.02Å; S544-K547 PolarHBondContact O-N 3.43Å; L545-K547 PolarHBondContact O-N 3.13Å; K547-Y569 HydrophobicContact CB-CE1 4.09Å; K547-Y569 HydrophobicContact CD-CE1 4.35Å; K547-Y569 HydrophobicContact CG-CE1 4.2Å; K547-Y569 PolarHBondContact O-OH 2.96Å
548	H	84.1	Confident	82.3	Confident	18 Å²	18	67.1 Å²	67.1	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-73.8	-39.1	176.4	173.1	54.8	0	0	0	112.4	C532 C535 F539 S544 L545 R550 I551 H552	C532-H548 VanDerWaalsContact SG-CD2 3.5Å; C535-H548 PolarHBondContact SG-NE2 2.99Å; F539-H548 HydrophobicContact CE1-CB 4.24Å; F539-H548 HydrophobicContact CE2-CB 3.86Å; F539-H548 AromaticContact CE2-CD2 3.28Å; F539-H548 WeakPolarHBondContact CE2-CD2 3.4Å; F539-H548 AromaticContact CE2-CG 3.63Å; F539-H548 HydrophobicContact CZ-CB 3.54Å; F539-H548 AromaticContact CZ-CD2 3.51Å; F539-H548 AromaticContact CZ-CG 3.38Å; S544-H548 PolarHBondContact O-N 3.12Å; L545-H548 CarbonylContact O-C 3.6Å; L545-H548 WeakPolarHBondContact O-CA 3.41Å; L545-H548 WeakPolarHBondContact O-CB 3.19Å; L545-H548 PolarHBondContact O-N 3.18Å; H548-R550 PolarHBondContact O-N 3.38Å; H548-R550 VanDerWaalsContact O-N 3.14Å; H548-I551 WeakPolarHBondContact O-CB 3.42Å; H548-I551 VanDerWaalsContact O-CG1 3.32Å; H548-I551 WeakPolarHBondContact O-CG1 3.4Å; H548-I551 PolarHBondContact O-N 2.83Å; H548-H552 AromaticContact CD2-NE2 3.94Å; H548-H552 AromaticContact CE1-CE1 3.87Å; H548-H552 AromaticContact CE1-NE2 3.44Å; H548-H552 PolarHBondContact CE1-NE2 3.29Å; H548-H552 AromaticContact NE2-CE1 3.93Å; H548-H552 AromaticContact NE2-NE2 3.16Å; H548-H552 PolarHBondContact NE2-NE2 3.02Å; H548-H552 VanDerWaalsContact NE2-NE2 3.16Å
549	E	83.4	Confident	82.6	Confident	71 Å²	71	70.1 Å²	70.1	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-58	-29	177.9	-70.7	163.9	148.1	0	0	112.3	L545 A546 I551 H552 T553	L545-E549 HydrophobicContact CD1-CG 3.82Å; L545-E549 HydrophobicContact CG-CG 4.17Å; L545-E549 WeakPolarHBondContact CG-OE1 3.45Å; L545-E549 WeakPolarHBondContact O-CG 3.38Å; L545-E549 PolarHBondContact O-N 3.21Å; A546-E549 VanDerWaalsContact CA-OE2 3.28Å; A546-E549 WeakPolarHBondContact CA-OE2 3.46Å; E549-I551 PolarHBondContact O-N 2.83Å; E549-I551 VanDerWaalsContact O-N 3.12Å; E549-H552 PolarHBondContact O-N 3.21Å; E549-T553 PolarHBondContact O-N 2.82Å; E549-T553 PolarHBondContact O-OG1 3.25Å
550	R	85.6	Confident	83.1	Confident	59 Å²	59	67.7 Å²	67.7	22%	0.223	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-14.6	172.3	-55.1	177.7	-173.6	-146.9	-16	114.6	A546 H548 T553 G554 E555 S568	A546-R550 PolarHBondContact O-NE 2.75Å; H548-R550 PolarHBondContact O-N 3.38Å; H548-R550 VanDerWaalsContact O-N 3.14Å; R550-T553 WeakPolarHBondContact CA-OG1 3.21Å; R550-G554 CarbonylContact O-C 3.56Å; R550-G554 WeakPolarHBondContact O-CA 3.36Å; R550-G554 PolarHBondContact O-N 2.99Å; R550-E555 HydrophobicContact CB-CB 4.34Å; R550-E555 HydrophobicContact CG-CB 4.33Å; R550-E555 PolarHBondContact O-N 3.5Å; R550-S568 PolarHBondContact NH1-O 3.3Å
551	I	81.9	Confident	83.3	Confident	115 Å²	115	72.7 Å²	72.7	59%	0.59	38%	0.378	S	S	*	.	H	α-helix	trans	-78.2	-35.2	174.2	-57.6	-179.9	0	0	0	110	H548 E549	H548-I551 WeakPolarHBondContact O-CB 3.42Å; H548-I551 VanDerWaalsContact O-CG1 3.32Å; H548-I551 WeakPolarHBondContact O-CG1 3.4Å; H548-I551 PolarHBondContact O-N 2.83Å; E549-I551 PolarHBondContact O-N 2.83Å; E549-I551 VanDerWaalsContact O-N 3.12Å
552	H	79.9	Confident	83.6	Confident	64 Å²	64	73 Å²	73	30%	0.296	38%	0.384	S	S	.	.	H	α-helix	trans	-85.7	-51.2	-179.3	-51.2	-55.4	0	0	0	111.4	C532 E534 C535 H548 E549 G554	C532-H552 PolarHBondContact SG-CD2 2.91Å; C532-H552 PolarHBondContact SG-NE2 2.89Å; E534-H552 WeakPolarHBondContact OE2-CB 3.48Å; C535-H552 VanDerWaalsContact SG-CE1 3.51Å; C535-H552 PolarHBondContact SG-NE2 3.32Å; C535-H552 VanDerWaalsContact SG-NE2 3.42Å; H548-H552 AromaticContact CD2-NE2 3.94Å; H548-H552 AromaticContact CE1-CE1 3.87Å; H548-H552 AromaticContact CE1-NE2 3.44Å; H548-H552 PolarHBondContact CE1-NE2 3.29Å; H548-H552 AromaticContact NE2-CE1 3.93Å; H548-H552 AromaticContact NE2-NE2 3.16Å; H548-H552 PolarHBondContact NE2-NE2 3.02Å; H548-H552 VanDerWaalsContact NE2-NE2 3.16Å; E549-H552 PolarHBondContact O-N 3.21Å; H552-G554 PolarHBondContact O-N 3.34Å; H552-G554 VanDerWaalsContact O-N 3.11Å
553	T	79.8	Confident	83.8	Confident	82 Å²	82	72.3 Å²	72.3	50%	0.503	38%	0.378	S	S	.	.	S	Bend	trans	-66	-13.4	175	62.7	0	0	0	0	113.4	E549 R550 E555	E549-T553 PolarHBondContact O-N 2.82Å; E549-T553 PolarHBondContact O-OG1 3.25Å; R550-T553 WeakPolarHBondContact CA-OG1 3.21Å; T553-E555 PolarHBondContact O-N 3.5Å; T553-E555 VanDerWaalsContact O-N 3.17Å
554	G	79.6	Confident	83.8	Confident	38 Å²	38	71 Å²	71	39%	0.392	38%	0.375	S	S	.	.			trans	68.2	7.4	-177.5	0	0	0	0	0	114.6	R550 H552 K556	R550-G554 CarbonylContact O-C 3.56Å; R550-G554 WeakPolarHBondContact O-CA 3.36Å; R550-G554 PolarHBondContact O-N 2.99Å; H552-G554 PolarHBondContact O-N 3.34Å; H552-G554 VanDerWaalsContact O-N 3.11Å; G554-K556 WeakPolarHBondContact O-CG 3.26Å; G554-K556 PolarHBondContact O-N 3.4Å
555	E	79.9	Confident	83.9	Confident	103 Å²	103	75.1 Å²	75.1	48%	0.481	39%	0.388	S	S	.	.			trans	-55.5	128.5	-174.7	-86	-168.4	-178.5	0	0	113.1	R550 T553 S568	R550-E555 HydrophobicContact CB-CB 4.34Å; R550-E555 HydrophobicContact CG-CB 4.33Å; R550-E555 PolarHBondContact O-N 3.5Å; T553-E555 PolarHBondContact O-N 3.5Å; T553-E555 VanDerWaalsContact O-N 3.17Å; E555-S568 WeakPolarHBondContact O-CB 3.34Å
556	K	84.8	Confident	83.9	Confident	115 Å²	115	77.3 Å²	77.3	50%	0.5	40%	0.402	S	S	.	.			trans	-129.5	70.4	178.4	-69.8	161.6	-168.5	165.1	0	111.4	G554 Y558 F567	G554-K556 WeakPolarHBondContact O-CG 3.26Å; G554-K556 PolarHBondContact O-N 3.4Å; K556-Y558 PolarHBondContact O-N 3.41Å; K556-F567 CarbonylContact C-O 3.52Å; K556-F567 VanDerWaalsContact CA-O 3.26Å; K556-F567 WeakPolarHBondContact CA-O 3.26Å
557	P	85.5	Confident	84	Confident	73 Å²	73	77.1 Å²	77.1	47%	0.474	39%	0.393	S	S	.	.			trans	-67	-12	-169.8	-21.4	35	0	0	0	115.1
558	Y	86.9	Confident	84.1	Confident	94 Å²	94	74 Å²	74	37%	0.369	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	93	-173.9	-55.4	-77.3	0	0	0	110.6	K556 F567 S568 G570	K556-Y558 PolarHBondContact O-N 3.41Å; Y558-F567 WeakPolarHBondContact CB-O 3.45Å; Y558-F567 WeakPolarHBondContact CD2-O 3.34Å; Y558-F567 PolarHBondContact N-O 3.4Å; Y558-F567 PolarHBondContact O-N 3.19Å; Y558-S568 WeakPolarHBondContact CE2-O 3.48Å; Y558-G570 VanDerWaalsContact CE2-N 3.32Å
559	Q	87.8	Confident	84	Confident	98 Å²	98	77.2 Å²	77.2	46%	0.458	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	143.9	178.7	-165.3	174.1	25.3	0	0	112.9	G564 T566 L573	Q559-G564 WeakPolarHBondContact CG-O 3.26Å; Q559-G564 PolarHBondContact NE2-O 3.15Å; Q559-T566 HydrophobicContact CB-CG2 4.16Å; Q559-T566 HydrophobicContact CG-CG2 3.93Å; Q559-L573 VanDerWaalsContact O-CD2 3.29Å; Q559-L573 WeakPolarHBondContact O-CD2 3.46Å
560	C	89.6	Confident	84	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.39	C	S	.	.			trans	-92.2	115	165.5	-178	0	0	0	0	109.8	E562 C563 G564 K565 F567 L573 H580	C560-E562 PolarHBondContact O-N 2.84Å; C560-E562 PolarHBondContact SG-OE2 3.43Å; C560-C563 VanDerWaalsContact SG-SG 3.65Å; C560-G564 CarbonylContact O-C 3.59Å; C560-G564 VanDerWaalsContact O-CA 3.24Å; C560-G564 WeakPolarHBondContact O-CA 3.29Å; C560-G564 PolarHBondContact O-N 3.22Å; C560-K565 WeakPolarHBondContact CB-O 3.48Å; C560-K565 PolarHBondContact N-O 3.45Å; C560-F567 HydrophobicContact CB-CE2 4.4Å; C560-L573 HydrophobicContact CB-CD1 3.56Å; C560-H580 PolarHBondContact SG-NE2 3.3Å; C560-H580 VanDerWaalsContact SG-NE2 3.45Å
561	H	83.3	Confident	83.9	Confident	156 Å²	156	76 Å²	76	72%	0.722	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.4	179	-55.4	-68.1	0	0	0	113
562	E	85	Confident	84.1	Confident	108 Å²	108	72.1 Å²	72.1	51%	0.505	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-20.3	-176.7	-61.2	153.5	135.2	0	0	113.3	C560 H580	C560-E562 PolarHBondContact O-N 2.84Å; C560-E562 PolarHBondContact SG-OE2 3.43Å; E562-H580 IonicContact OE2-CD2 3.2Å; E562-H580 PolarHBondContact OE2-CD2 2.66Å; E562-H580 IonicContact OE2-CG 3.89Å
563	C	84.8	Confident	84.4	Confident	50 Å²	50	69.8 Å²	69.8	34%	0.338	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.4	11.1	-177.2	73.6	0	0	0	0	115	C560 K565 H576 H580	C560-C563 VanDerWaalsContact SG-SG 3.65Å; C563-K565 PolarHBondContact O-N 2.89Å; C563-H576 PolarHBondContact SG-NE2 3.06Å; C563-H580 PolarHBondContact SG-NE2 3Å; C563-H580 VanDerWaalsContact SG-NE2 3.35Å
564	G	83	Confident	84.6	Confident	38 Å²	38	71.1 Å²	71.1	39%	0.392	38%	0.383	S	S	.	.			trans	70.4	-14.9	-179	0	0	0	0	0	116.5	Q559 C560 T566	Q559-G564 WeakPolarHBondContact CG-O 3.26Å; Q559-G564 PolarHBondContact NE2-O 3.15Å; C560-G564 CarbonylContact O-C 3.59Å; C560-G564 VanDerWaalsContact O-CA 3.24Å; C560-G564 WeakPolarHBondContact O-CA 3.29Å; C560-G564 PolarHBondContact O-N 3.22Å; G564-T566 PolarHBondContact O-N 2.84Å
565	K	84.3	Confident	84.8	Confident	128 Å²	128	73.5 Å²	73.5	56%	0.557	38%	0.384	S	S	*	.			trans	-62.5	132.5	-172.3	-69.8	178.4	-179.4	174.4	0	112.6	C560 C563 F567	C560-K565 WeakPolarHBondContact CB-O 3.48Å; C560-K565 PolarHBondContact N-O 3.45Å; C563-K565 PolarHBondContact O-N 2.89Å; K565-F567 HydrophobicContact CB-CE2 3.91Å; K565-F567 HydrophobicContact CB-CZ 4.11Å; K565-F567 WeakPolarHBondContact O-CE2 3.45Å
566	T	86.1	Confident	85.1	Confident	65 Å²	65	69.5 Å²	69.5	40%	0.399	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	143	-177.2	56.1	0	0	0	0	111.9	Q559 G564	Q559-T566 HydrophobicContact CB-CG2 4.16Å; Q559-T566 HydrophobicContact CG-CG2 3.93Å; G564-T566 PolarHBondContact O-N 2.84Å
567	F	86.6	Confident	85	Confident	44 Å²	44	68.8 Å²	68.8	19%	0.193	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.2	-178.2	-59.5	-91.1	0	0	0	111.4	K556 Y558 C560 K565 Y569 L573 H576	K556-F567 CarbonylContact C-O 3.52Å; K556-F567 VanDerWaalsContact CA-O 3.26Å; K556-F567 WeakPolarHBondContact CA-O 3.26Å; Y558-F567 WeakPolarHBondContact CB-O 3.45Å; Y558-F567 WeakPolarHBondContact CD2-O 3.34Å; Y558-F567 PolarHBondContact N-O 3.4Å; Y558-F567 PolarHBondContact O-N 3.19Å; C560-F567 HydrophobicContact CB-CE2 4.4Å; K565-F567 HydrophobicContact CB-CE2 3.91Å; K565-F567 HydrophobicContact CB-CZ 4.11Å; K565-F567 WeakPolarHBondContact O-CE2 3.45Å; F567-Y569 VanDerWaalsContact C-N 3.31Å; F567-L573 HydrophobicContact CB-CB 4.44Å; F567-L573 HydrophobicContact CD2-CB 4.08Å; F567-L573 HydrophobicContact CD2-CD1 3.99Å; F567-L573 HydrophobicContact CE2-CD1 4.19Å; F567-L573 HydrophobicContact CG-CB 4.41Å; F567-H576 HydrophobicContact CE1-CB 4.08Å; F567-H576 HydrophobicContact CE2-CB 3.96Å; F567-H576 AromaticContact CE2-CD2 3.38Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.48Å; F567-H576 AromaticContact CE2-CG 3.78Å; F567-H576 HydrophobicContact CZ-CB 3.55Å; F567-H576 AromaticContact CZ-CD2 3.35Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.36Å; F567-H576 AromaticContact CZ-CG 3.34Å
568	S	83.6	Confident	85	Confident	36 Å²	36	67.9 Å²	67.9	25%	0.252	35%	0.348	S	S	.	.	S	Bend	trans	-75.8	-17.8	176.1	48.3	0	0	0	0	113.6	R550 E555 Y558	R550-S568 PolarHBondContact NH1-O 3.3Å; E555-S568 WeakPolarHBondContact O-CB 3.34Å; Y558-S568 WeakPolarHBondContact CE2-O 3.48Å
569	Y	81.9	Confident	84.7	Confident	84 Å²	84	68.5 Å²	68.5	33%	0.329	36%	0.356	S	S	.	.	S	Bend	trans	-131	134.2	179.2	-55.8	-70.6	0	0	0	112.3	K547 F567 S571 S572 L573	K547-Y569 HydrophobicContact CB-CE1 4.09Å; K547-Y569 HydrophobicContact CD-CE1 4.35Å; K547-Y569 HydrophobicContact CG-CE1 4.2Å; K547-Y569 PolarHBondContact O-OH 2.96Å; F567-Y569 VanDerWaalsContact C-N 3.31Å; Y569-S571 VanDerWaalsContact C-N 3.26Å; Y569-S571 PolarHBondContact O-N 3.32Å; Y569-S572 WeakPolarHBondContact O-CB 3.16Å; Y569-S572 PolarHBondContact O-N 3.3Å; Y569-S572 VanDerWaalsContact O-N 3.09Å; Y569-L573 PolarHBondContact O-N 3.07Å
570	G	84.6	Confident	84.3	Confident	21 Å²	21	67.6 Å²	67.6	22%	0.216	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-27.9	177.7	0	0	0	0	0	113.7	Y558 S572 L573 I574	Y558-G570 VanDerWaalsContact CE2-N 3.32Å; G570-S572 VanDerWaalsContact C-N 3.35Å; G570-L573 PolarHBondContact O-N 3.39Å; G570-I574 WeakPolarHBondContact O-CG1 3.29Å; G570-I574 PolarHBondContact O-N 2.98Å
571	S	83.8	Confident	83.8	Confident	84 Å²	84	71.2 Å²	71.2	59%	0.587	37%	0.374	S	S	*	.	H	α-helix	trans	-61.8	-40.8	171.4	47.8	0	0	0	0	112.2	Y569 I574 Q575	Y569-S571 VanDerWaalsContact C-N 3.26Å; Y569-S571 PolarHBondContact O-N 3.32Å; S571-I574 PolarHBondContact O-N 3.37Å; S571-Q575 VanDerWaalsContact O-CB 3.27Å; S571-Q575 WeakPolarHBondContact O-CB 3.47Å; S571-Q575 PolarHBondContact O-N 3.19Å
572	S	85.4	Confident	83.6	Confident	34 Å²	34	66.1 Å²	66.1	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-67.9	-35.6	175.1	-55.8	0	0	0	0	112.1	Y569 G570 Q575 H576	Y569-S572 WeakPolarHBondContact O-CB 3.16Å; Y569-S572 PolarHBondContact O-N 3.3Å; Y569-S572 VanDerWaalsContact O-N 3.09Å; G570-S572 VanDerWaalsContact C-N 3.35Å; S572-Q575 PolarHBondContact O-N 3.27Å; S572-H576 VanDerWaalsContact O-CB 3.25Å; S572-H576 WeakPolarHBondContact O-CB 3.5Å; S572-H576 PolarHBondContact O-N 3.05Å
573	L	87.1	Confident	83.3	Confident	14 Å²	14	65.1 Å²	65.1	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-63.7	-45.5	171.4	174	61	0	0	0	111.7	Q559 C560 F567 Y569 G570 Q575 H576 R577	Q559-L573 VanDerWaalsContact O-CD2 3.29Å; Q559-L573 WeakPolarHBondContact O-CD2 3.46Å; C560-L573 HydrophobicContact CB-CD1 3.56Å; F567-L573 HydrophobicContact CB-CB 4.44Å; F567-L573 HydrophobicContact CD2-CB 4.08Å; F567-L573 HydrophobicContact CD2-CD1 3.99Å; F567-L573 HydrophobicContact CE2-CD1 4.19Å; F567-L573 HydrophobicContact CG-CB 4.41Å; Y569-L573 PolarHBondContact O-N 3.07Å; G570-L573 PolarHBondContact O-N 3.39Å; L573-Q575 PolarHBondContact O-N 3.02Å; L573-H576 WeakPolarHBondContact O-CB 3.43Å; L573-H576 PolarHBondContact O-N 3.46Å; L573-H576 VanDerWaalsContact O-N 3.13Å; L573-R577 HydrophobicContact CD1-CG 4.25Å; L573-R577 WeakPolarHBondContact O-CG 3.33Å; L573-R577 PolarHBondContact O-N 2.86Å
574	I	84	Confident	83.1	Confident	111 Å²	111	69.6 Å²	69.6	57%	0.569	37%	0.369	S	S	*	.	H	α-helix	trans	-62.9	-42.8	177.1	-67.1	162.8	0	0	0	110.9	G570 S571 H576 R577	G570-I574 WeakPolarHBondContact O-CG1 3.29Å; G570-I574 PolarHBondContact O-N 2.98Å; S571-I574 PolarHBondContact O-N 3.37Å; I574-H576 VanDerWaalsContact C-N 3.26Å; I574-H576 PolarHBondContact O-N 3.32Å; I574-R577 PolarHBondContact O-N 3.3Å
575	Q	83	Confident	83.2	Confident	88 Å²	88	71.1 Å²	71.1	41%	0.411	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-33.2	173.7	-174.5	-174.9	20.5	0	0	112.1	S571 S572 L573 Q597	S571-Q575 VanDerWaalsContact O-CB 3.27Å; S571-Q575 WeakPolarHBondContact O-CB 3.47Å; S571-Q575 PolarHBondContact O-N 3.19Å; S572-Q575 PolarHBondContact O-N 3.27Å; L573-Q575 PolarHBondContact O-N 3.02Å; Q575-Q597 VanDerWaalsContact NE2-CD 3.26Å
576	H	85.4	Confident	83.2	Confident	19 Å²	19	69.1 Å²	69.1	9%	0.088	36%	0.361	C	S	.	.	H	α-helix	trans	-76.2	-41.6	177.3	178.2	50.6	0	0	0	113.4	C563 F567 S572 L573 I574 K578 I579 H580	C563-H576 PolarHBondContact SG-NE2 3.06Å; F567-H576 HydrophobicContact CE1-CB 4.08Å; F567-H576 HydrophobicContact CE2-CB 3.96Å; F567-H576 AromaticContact CE2-CD2 3.38Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.48Å; F567-H576 AromaticContact CE2-CG 3.78Å; F567-H576 HydrophobicContact CZ-CB 3.55Å; F567-H576 AromaticContact CZ-CD2 3.35Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.36Å; F567-H576 AromaticContact CZ-CG 3.34Å; S572-H576 VanDerWaalsContact O-CB 3.25Å; S572-H576 WeakPolarHBondContact O-CB 3.5Å; S572-H576 PolarHBondContact O-N 3.05Å; L573-H576 WeakPolarHBondContact O-CB 3.43Å; L573-H576 PolarHBondContact O-N 3.46Å; L573-H576 VanDerWaalsContact O-N 3.13Å; I574-H576 VanDerWaalsContact C-N 3.26Å; I574-H576 PolarHBondContact O-N 3.32Å; H576-K578 PolarHBondContact O-N 2.87Å; H576-K578 VanDerWaalsContact O-N 3.15Å; H576-I579 VanDerWaalsContact O-CB 3.25Å; H576-I579 WeakPolarHBondContact O-CB 3.21Å; H576-I579 WeakPolarHBondContact O-CG1 3.15Å; H576-I579 PolarHBondContact O-N 3.35Å; H576-H580 AromaticContact CD2-NE2 3.98Å; H576-H580 AromaticContact CE1-NE2 3.66Å; H576-H580 AromaticContact NE2-CE1 3.98Å; H576-H580 AromaticContact NE2-NE2 3.23Å; H576-H580 PolarHBondContact NE2-NE2 3.06Å
577	R	83.5	Confident	83.1	Confident	100 Å²	100	72.8 Å²	72.8	38%	0.377	37%	0.372	S	S	.	.	H	α-helix	trans	-56.6	-30.9	178.3	-72.1	-177	-174.3	-163.6	-1.1	112.7	L573 I574 I579 H580 T581	L573-R577 HydrophobicContact CD1-CG 4.25Å; L573-R577 WeakPolarHBondContact O-CG 3.33Å; L573-R577 PolarHBondContact O-N 2.86Å; I574-R577 PolarHBondContact O-N 3.3Å; R577-I579 PolarHBondContact O-N 2.89Å; R577-I579 VanDerWaalsContact O-N 3.08Å; R577-H580 PolarHBondContact O-N 2.88Å; R577-T581 PolarHBondContact O-N 2.82Å
578	K	84.5	Confident	83.2	Confident	53 Å²	53	70.8 Å²	70.8	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-11	172.2	-65	-170.4	174	-163.3	0	115.3	H576 E583	H576-K578 PolarHBondContact O-N 2.87Å; H576-K578 VanDerWaalsContact O-N 3.15Å; K578-E583 HydrophobicContact CB-CB 4.24Å; K578-E583 WeakPolarHBondContact CE-OE2 3.5Å; K578-E583 HydrophobicContact CG-CB 4.21Å; K578-E583 IonicContact NZ-OE2 3.56Å; K578-E583 PolarHBondContact O-N 3.35Å
579	I	81.9	Confident	83.3	Confident	107 Å²	107	76.1 Å²	76.1	55%	0.549	39%	0.389	S	S	.	.	H	α-helix	trans	-80.4	-38.4	170.7	-55.8	-178.3	0	0	0	110	H576 R577	H576-I579 VanDerWaalsContact O-CB 3.25Å; H576-I579 WeakPolarHBondContact O-CB 3.21Å; H576-I579 WeakPolarHBondContact O-CG1 3.15Å; H576-I579 PolarHBondContact O-N 3.35Å; R577-I579 PolarHBondContact O-N 2.89Å; R577-I579 VanDerWaalsContact O-N 3.08Å
580	H	79.5	Confident	83.3	Confident	79 Å²	79	76.9 Å²	76.9	37%	0.366	40%	0.395	S	S	.	.	H	α-helix	trans	-76.5	-42.6	178.8	-57.9	-53.2	0	0	0	112.1	C560 E562 C563 H576 R577 G582	C560-H580 PolarHBondContact SG-NE2 3.3Å; C560-H580 VanDerWaalsContact SG-NE2 3.45Å; E562-H580 IonicContact OE2-CD2 3.2Å; E562-H580 PolarHBondContact OE2-CD2 2.66Å; E562-H580 IonicContact OE2-CG 3.89Å; C563-H580 PolarHBondContact SG-NE2 3Å; C563-H580 VanDerWaalsContact SG-NE2 3.35Å; H576-H580 AromaticContact CD2-NE2 3.98Å; H576-H580 AromaticContact CE1-NE2 3.66Å; H576-H580 AromaticContact NE2-CE1 3.98Å; H576-H580 AromaticContact NE2-NE2 3.23Å; H576-H580 PolarHBondContact NE2-NE2 3.06Å; R577-H580 PolarHBondContact O-N 2.88Å; H580-G582 PolarHBondContact O-N 3.41Å
581	T	79.1	Confident	83.3	Confident	77 Å²	77	78.6 Å²	78.6	47%	0.472	40%	0.403	S	S	.	.	S	Bend	trans	-73.3	-5.9	175.3	66.8	0	0	0	0	113.7	R577 E583	R577-T581 PolarHBondContact O-N 2.82Å; T581-E583 PolarHBondContact O-N 3.17Å; T581-E583 VanDerWaalsContact O-N 3.08Å; T581-E583 WeakPolarHBondContact OG1-CB 3.31Å; T581-E583 WeakPolarHBondContact OG1-CG 3.47Å; T581-E583 PolarHBondContact OG1-OE1 3.1Å
582	G	77.9	Confident	83.2	Confident	48 Å²	48	77.3 Å²	77.3	50%	0.495	40%	0.404	S	S	.	.			trans	64.7	6.2	-175.3	0	0	0	0	0	114.9	H580 R584	H580-G582 PolarHBondContact O-N 3.41Å; G582-R584 WeakPolarHBondContact O-CG 3.41Å; G582-R584 PolarHBondContact O-N 3Å
583	E	78.4	Confident	83.1	Confident	88 Å²	88	83.5 Å²	83.5	41%	0.411	42%	0.422	S	S	.	.			trans	-58.1	118.3	-174.1	-92.3	177.6	-128.8	0	0	112.8	K578 T581 N596	K578-E583 HydrophobicContact CB-CB 4.24Å; K578-E583 WeakPolarHBondContact CE-OE2 3.5Å; K578-E583 HydrophobicContact CG-CB 4.21Å; K578-E583 IonicContact NZ-OE2 3.56Å; K578-E583 PolarHBondContact O-N 3.35Å; T581-E583 PolarHBondContact O-N 3.17Å; T581-E583 VanDerWaalsContact O-N 3.08Å; T581-E583 WeakPolarHBondContact OG1-CB 3.31Å; T581-E583 WeakPolarHBondContact OG1-CG 3.47Å; T581-E583 PolarHBondContact OG1-OE1 3.1Å; E583-N596 WeakPolarHBondContact O-CB 3.06Å
584	R	81.7	Confident	83.1	Confident	144 Å²	144	83.7 Å²	83.7	54%	0.543	43%	0.426	S	S	.	.			trans	-126.5	71.5	174.7	-65.2	165.5	79.5	155.9	3	110.3	G582 Y586 A594 F595	G582-R584 WeakPolarHBondContact O-CG 3.41Å; G582-R584 PolarHBondContact O-N 3Å; R584-Y586 VanDerWaalsContact C-N 3.25Å; R584-Y586 PolarHBondContact O-N 3.34Å; R584-A594 HydrophobicContact CB-CB 3.53Å; R584-A594 PolarHBondContact NE-O 3.34Å; R584-A594 PolarHBondContact NH2-O 2.04Å; R584-F595 CarbonylContact C-O 3.59Å; R584-F595 VanDerWaalsContact CA-O 3.23Å; R584-F595 WeakPolarHBondContact CA-O 3.45Å
585	P	84	Confident	83.1	Confident	70 Å²	70	80.2 Å²	80.2	46%	0.455	41%	0.406	S	S	.	.			trans	-66	-26.4	-172.3	-20.7	34.3	0	0	0	113.7	K587	P585-K587 PolarHBondContact O-N 3.34Å
586	Y	85.9	Confident	83.1	Confident	85 Å²	85	77.9 Å²	77.9	33%	0.333	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	85.7	-171.7	-54.2	-78.4	0	0	0	109.8	R584 A594 F595 N598	R584-Y586 VanDerWaalsContact C-N 3.25Å; R584-Y586 PolarHBondContact O-N 3.34Å; Y586-A594 CarbonylContact O-C 3.17Å; Y586-F595 WeakPolarHBondContact CB-O 3.43Å; Y586-F595 WeakPolarHBondContact CD2-O 3.32Å; Y586-F595 PolarHBondContact N-O 3.14Å; Y586-F595 PolarHBondContact O-N 3.29Å; Y586-N598 HydrophobicContact CD1-CB 3.74Å; Y586-N598 HydrophobicContact CE1-CB 3.64Å; Y586-N598 HydrophobicContact CE2-CB 4.46Å; Y586-N598 HydrophobicContact CG-CB 4.22Å
587	K	83.3	Confident	82.9	Confident	143 Å²	143	79 Å²	79	62%	0.622	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	142.3	178.4	-63.4	-175.6	-179.6	179.3	0	111.9	P585 A594 L601	P585-K587 PolarHBondContact O-N 3.34Å; K587-A594 HydrophobicContact CG-CB 3.99Å; K587-L601 WeakPolarHBondContact O-CD2 3.35Å
588	C	88.8	Confident	83	Confident	1 Å²	1	78.3 Å²	78.3	1%	0.007	41%	0.406	C	S	.	.			trans	-92.5	119.9	168	179.4	0	0	0	0	109.6	E590 G592 R593 L601 H608	C588-E590 PolarHBondContact O-N 3.22Å; C588-G592 CarbonylContact O-C 3.17Å; C588-G592 VanDerWaalsContact O-CA 3.23Å; C588-G592 WeakPolarHBondContact O-CA 3.36Å; C588-G592 PolarHBondContact O-N 3.07Å; C588-R593 VanDerWaalsContact CB-O 3.26Å; C588-R593 WeakPolarHBondContact CB-O 3.36Å; C588-R593 PolarHBondContact N-O 3.05Å; C588-L601 HydrophobicContact CB-CD1 3.61Å; C588-H608 PolarHBondContact SG-NE2 3.2Å; C588-H608 VanDerWaalsContact SG-NE2 3.43Å
589	N	85	Confident	82.9	Confident	148 Å²	148	81.7 Å²	81.7	79%	0.791	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-23	-177.3	-59.8	8.4	0	0	0	112.5
590	E	83	Confident	83	Confident	100 Å²	100	80 Å²	80	47%	0.467	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-21.2	-172.2	-62	152.2	-95.1	0	0	113.3	C588 H608	C588-E590 PolarHBondContact O-N 3.22Å; E590-H608 IonicContact OE1-CD2 3.65Å; E590-H608 WeakPolarHBondContact OE2-CB 3.36Å; E590-H608 IonicContact OE2-CD2 3.1Å; E590-H608 PolarHBondContact OE2-CD2 2.89Å; E590-H608 IonicContact OE2-CG 3.81Å
591	C	83.9	Confident	83.3	Confident	57 Å²	57	77 Å²	77	39%	0.385	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.2	14.6	178.6	70.3	0	0	0	0	114.6	R593 H604 H608	C591-R593 PolarHBondContact O-N 2.99Å; C591-H604 PolarHBondContact SG-NE2 3.19Å; C591-H608 VanDerWaalsContact SG-CE1 3.6Å; C591-H608 PolarHBondContact SG-NE2 3.27Å; C591-H608 VanDerWaalsContact SG-NE2 3.37Å
592	G	81.1	Confident	83.5	Confident	58 Å²	58	76.7 Å²	76.7	60%	0.598	40%	0.4	S	S	*	.			trans	67.9	-11.9	-179.8	0	0	0	0	0	116.1	C588 A594	C588-G592 CarbonylContact O-C 3.17Å; C588-G592 VanDerWaalsContact O-CA 3.23Å; C588-G592 WeakPolarHBondContact O-CA 3.36Å; C588-G592 PolarHBondContact O-N 3.07Å; G592-A594 PolarHBondContact O-N 3.03Å
593	R	84.2	Confident	83.8	Confident	164 Å²	164	77.6 Å²	77.6	62%	0.619	39%	0.391	S	S	*	.			trans	-62.1	123	-174.7	-74.9	-172.8	170.1	-155.8	-2.2	111.8	C588 C591 F595	C588-R593 VanDerWaalsContact CB-O 3.26Å; C588-R593 WeakPolarHBondContact CB-O 3.36Å; C588-R593 PolarHBondContact N-O 3.05Å; C591-R593 PolarHBondContact O-N 2.99Å; R593-F595 HydrophobicContact CB-CE2 3.92Å; R593-F595 HydrophobicContact CB-CZ 4.11Å; R593-F595 VanDerWaalsContact O-CE2 3.31Å; R593-F595 WeakPolarHBondContact O-CE2 3.38Å
594	A	86.4	Confident	84.2	Confident	18 Å²	18	74.2 Å²	74.2	15%	0.149	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	149.5	179.2	0	0	0	0	0	112.4	R584 Y586 K587 G592	R584-A594 HydrophobicContact CB-CB 3.53Å; R584-A594 PolarHBondContact NE-O 3.34Å; R584-A594 PolarHBondContact NH2-O 2.04Å; Y586-A594 CarbonylContact O-C 3.17Å; K587-A594 HydrophobicContact CG-CB 3.99Å; G592-A594 PolarHBondContact O-N 3.03Å
595	F	85	Confident	84.3	Confident	37 Å²	37	71.5 Å²	71.5	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.8	179.4	-60.2	-90.1	0	0	0	111.5	R584 Y586 R593 Q597 H600 L601 H604	R584-F595 CarbonylContact C-O 3.59Å; R584-F595 VanDerWaalsContact CA-O 3.23Å; R584-F595 WeakPolarHBondContact CA-O 3.45Å; Y586-F595 WeakPolarHBondContact CB-O 3.43Å; Y586-F595 WeakPolarHBondContact CD2-O 3.32Å; Y586-F595 PolarHBondContact N-O 3.14Å; Y586-F595 PolarHBondContact O-N 3.29Å; R593-F595 HydrophobicContact CB-CE2 3.92Å; R593-F595 HydrophobicContact CB-CZ 4.11Å; R593-F595 VanDerWaalsContact O-CE2 3.31Å; R593-F595 WeakPolarHBondContact O-CE2 3.38Å; F595-Q597 VanDerWaalsContact C-N 3.29Å; F595-H600 HydrophobicContact CB-CB 4.15Å; F595-H600 HydrophobicContact CD1-CB 3.69Å; F595-H600 HydrophobicContact CG-CB 4.14Å; F595-L601 HydrophobicContact CB-CB 4.47Å; F595-L601 HydrophobicContact CD2-CB 4.06Å; F595-L601 HydrophobicContact CD2-CD1 4.03Å; F595-L601 HydrophobicContact CE2-CD1 4.25Å; F595-L601 HydrophobicContact CG-CB 4.46Å; F595-H604 HydrophobicContact CE1-CB 4.2Å; F595-H604 HydrophobicContact CE2-CB 3.92Å; F595-H604 AromaticContact CE2-CD2 3.29Å; F595-H604 WeakPolarHBondContact CE2-CD2 3.37Å; F595-H604 AromaticContact CE2-CG 3.67Å; F595-H604 HydrophobicContact CZ-CB 3.59Å; F595-H604 AromaticContact CZ-CD2 3.39Å; F595-H604 WeakPolarHBondContact CZ-CD2 3.25Å; F595-H604 AromaticContact CZ-CG 3.33Å; F595-H604 AromaticContact CZ-ND1 3.91Å; F595-H604 AromaticContact CZ-NE2 3.95Å
596	N	82.5	Confident	84.4	Confident	40 Å²	40	70.8 Å²	70.8	21%	0.214	36%	0.355	C	S	.	.	S	Bend	trans	-78.4	-11.9	176.4	59.6	-3.7	0	0	0	113.5	E583	E583-N596 WeakPolarHBondContact O-CB 3.06Å
597	Q	82.1	Confident	84.3	Confident	43 Å²	43	70.8 Å²	70.8	20%	0.201	36%	0.36	C	S	.	.	S	Bend	trans	-141.2	138.9	-176.2	-60	174.6	46.8	0	0	110.9	Q575 F595 I599 H600 L601	Q575-Q597 VanDerWaalsContact NE2-CD 3.26Å; F595-Q597 VanDerWaalsContact C-N 3.29Å; Q597-I599 VanDerWaalsContact C-N 3.31Å; Q597-I599 PolarHBondContact O-N 2.85Å; Q597-H600 PolarHBondContact O-N 2.94Å; Q597-L601 PolarHBondContact O-N 2.85Å
598	N	84.3	Confident	84.3	Confident	84 Å²	84	67.3 Å²	67.3	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-36.6	-178.6	-165	39.5	0	0	0	112.7	Y586 H600 L601 T602	Y586-N598 HydrophobicContact CD1-CB 3.74Å; Y586-N598 HydrophobicContact CE1-CB 3.64Å; Y586-N598 HydrophobicContact CE2-CB 4.46Å; Y586-N598 HydrophobicContact CG-CB 4.22Å; N598-H600 VanDerWaalsContact C-N 3.26Å; N598-H600 PolarHBondContact O-N 3.37Å; N598-L601 WeakPolarHBondContact O-CB 3.13Å; N598-L601 PolarHBondContact O-N 3.26Å; N598-T602 PolarHBondContact O-N 3.22Å; N598-T602 PolarHBondContact O-OG1 2.94Å
599	I	82.4	Confident	84	Confident	124 Å²	124	71.9 Å²	71.9	64%	0.636	37%	0.374	S	S	*	.	H	α-helix	trans	-57.4	-42.2	179.1	-58.2	174.3	0	0	0	110.6	Q597 T602 Q603	Q597-I599 VanDerWaalsContact C-N 3.31Å; Q597-I599 PolarHBondContact O-N 2.85Å; I599-T602 PolarHBondContact O-N 3.02Å; I599-Q603 WeakPolarHBondContact O-CB 3.36Å; I599-Q603 PolarHBondContact O-N 3.4Å
600	H	84.3	Confident	83.7	Confident	72 Å²	72	66.7 Å²	66.7	33%	0.333	36%	0.355	S	S	.	.	H	α-helix	trans	-66.4	-36.9	176.7	-60.2	154	0	0	0	112.3	F595 Q597 N598 H604	F595-H600 HydrophobicContact CB-CB 4.15Å; F595-H600 HydrophobicContact CD1-CB 3.69Å; F595-H600 HydrophobicContact CG-CB 4.14Å; Q597-H600 PolarHBondContact O-N 2.94Å; N598-H600 VanDerWaalsContact C-N 3.26Å; N598-H600 PolarHBondContact O-N 3.37Å; H600-H604 WeakPolarHBondContact O-CB 3.41Å; H600-H604 PolarHBondContact O-N 2.82Å
601	L	86.6	Confident	83.7	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.084	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-47.5	172.5	175.4	61.8	0	0	0	111.4	K587 C588 F595 Q597 N598 Q603 H604 K605	K587-L601 WeakPolarHBondContact O-CD2 3.35Å; C588-L601 HydrophobicContact CB-CD1 3.61Å; F595-L601 HydrophobicContact CB-CB 4.47Å; F595-L601 HydrophobicContact CD2-CB 4.06Å; F595-L601 HydrophobicContact CD2-CD1 4.03Å; F595-L601 HydrophobicContact CE2-CD1 4.25Å; F595-L601 HydrophobicContact CG-CB 4.46Å; Q597-L601 PolarHBondContact O-N 2.85Å; N598-L601 WeakPolarHBondContact O-CB 3.13Å; N598-L601 PolarHBondContact O-N 3.26Å; L601-Q603 VanDerWaalsContact C-N 3.32Å; L601-Q603 PolarHBondContact O-N 2.89Å; L601-H604 CarbonylContact O-C 3.16Å; L601-H604 WeakPolarHBondContact O-CB 3.44Å; L601-H604 PolarHBondContact O-N 2.91Å; L601-H604 VanDerWaalsContact O-N 3.11Å; L601-K605 HydrophobicContact CD1-CG 4.33Å; L601-K605 PolarHBondContact O-N 3.02Å
602	T	83.8	Confident	83.8	Confident	71 Å²	71	66.9 Å²	66.9	44%	0.436	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-39.8	177.6	-55.9	0	0	0	0	111.9	N598 I599 H604	N598-T602 PolarHBondContact O-N 3.22Å; N598-T602 PolarHBondContact O-OG1 2.94Å; I599-T602 PolarHBondContact O-N 3.02Å; T602-H604 VanDerWaalsContact C-N 3.35Å
603	Q	84.2	Confident	84	Confident	67 Å²	67	67.8 Å²	67.8	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-35.6	174	-177.8	178.3	-0.6	0	0	112	I599 L601 R606 H625	I599-Q603 WeakPolarHBondContact O-CB 3.36Å; I599-Q603 PolarHBondContact O-N 3.4Å; L601-Q603 VanDerWaalsContact C-N 3.32Å; L601-Q603 PolarHBondContact O-N 2.89Å; Q603-R606 WeakPolarHBondContact O-CB 3.49Å; Q603-H625 WeakPolarHBondContact CG-CE1 3.42Å; Q603-H625 PolarHBondContact NE2-CE1 3.27Å; Q603-H625 PolarHBondContact NE2-ND1 3.16Å; Q603-H625 PolarHBondContact NE2-NE2 3.47Å
604	H	85.9	Confident	84.1	Confident	16 Å²	16	63.3 Å²	63.3	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-74.1	-37	178.2	176.1	59.1	0	0	0	113.4	C591 F595 H600 L601 T602 R606 I607 H608	C591-H604 PolarHBondContact SG-NE2 3.19Å; F595-H604 HydrophobicContact CE1-CB 4.2Å; F595-H604 HydrophobicContact CE2-CB 3.92Å; F595-H604 AromaticContact CE2-CD2 3.29Å; F595-H604 WeakPolarHBondContact CE2-CD2 3.37Å; F595-H604 AromaticContact CE2-CG 3.67Å; F595-H604 HydrophobicContact CZ-CB 3.59Å; F595-H604 AromaticContact CZ-CD2 3.39Å; F595-H604 WeakPolarHBondContact CZ-CD2 3.25Å; F595-H604 AromaticContact CZ-CG 3.33Å; F595-H604 AromaticContact CZ-ND1 3.91Å; F595-H604 AromaticContact CZ-NE2 3.95Å; H600-H604 WeakPolarHBondContact O-CB 3.41Å; H600-H604 PolarHBondContact O-N 2.82Å; L601-H604 CarbonylContact O-C 3.16Å; L601-H604 WeakPolarHBondContact O-CB 3.44Å; L601-H604 PolarHBondContact O-N 2.91Å; L601-H604 VanDerWaalsContact O-N 3.11Å; T602-H604 VanDerWaalsContact C-N 3.35Å; H604-R606 PolarHBondContact O-N 2.85Å; H604-R606 VanDerWaalsContact O-N 3.12Å; H604-I607 WeakPolarHBondContact ND1-CD1 3.18Å; H604-I607 WeakPolarHBondContact O-CB 3.47Å; H604-I607 VanDerWaalsContact O-CG1 3.3Å; H604-I607 WeakPolarHBondContact O-CG1 3.39Å; H604-I607 PolarHBondContact O-N 3.23Å; H604-H608 AromaticContact CE1-NE2 3.99Å; H604-H608 AromaticContact NE2-NE2 3.59Å
605	K	83.9	Confident	84.1	Confident	88 Å²	88	68.5 Å²	68.5	38%	0.383	36%	0.355	S	S	.	.	H	α-helix	trans	-56.5	-28.9	175.3	-77.6	-169	169.2	-163.9	0	113.1	L601 I607 H608 T609	L601-K605 HydrophobicContact CD1-CG 4.33Å; L601-K605 PolarHBondContact O-N 3.02Å; K605-I607 PolarHBondContact O-N 3.47Å; K605-I607 VanDerWaalsContact O-N 3.11Å; K605-H608 PolarHBondContact O-N 3.31Å; K605-H608 VanDerWaalsContact O-N 3.09Å; K605-T609 PolarHBondContact O-N 3Å; K605-T609 VanDerWaalsContact O-N 3.11Å; K605-T609 PolarHBondContact O-OG1 3.03Å
606	R	86.4	Confident	84.3	Confident	55 Å²	55	66.8 Å²	66.8	21%	0.208	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-15.7	171.9	-54.3	177.6	-175.4	-176.8	-2.8	113.9	Q603 H604 G610 A611 Y614 R624	Q603-R606 WeakPolarHBondContact O-CB 3.49Å; H604-R606 PolarHBondContact O-N 2.85Å; H604-R606 VanDerWaalsContact O-N 3.12Å; R606-G610 CarbonylContact O-C 3.59Å; R606-A611 HydrophobicContact CB-CB 4.42Å; R606-A611 PolarHBondContact O-N 3.29Å; R606-Y614 PolarHBondContact NH1-OH 2.81Å; R606-Y614 VanDerWaalsContact NH1-OH 3.1Å; R606-R624 HydrophobicContact CB-CG 3.65Å; R606-R624 PolarHBondContact NH1-O 3.28Å; R606-R624 PolarHBondContact O-NE 3.48Å; R606-R624 PolarHBondContact O-NH2 3.09Å
607	I	83.5	Confident	84.5	Confident	84 Å²	84	69.8 Å²	69.8	43%	0.431	38%	0.378	S	S	.	.	H	α-helix	trans	-68.4	-49.1	172	-59.7	-170.7	0	0	0	110.1	H604 K605 R624	H604-I607 WeakPolarHBondContact ND1-CD1 3.18Å; H604-I607 WeakPolarHBondContact O-CB 3.47Å; H604-I607 VanDerWaalsContact O-CG1 3.3Å; H604-I607 WeakPolarHBondContact O-CG1 3.39Å; H604-I607 PolarHBondContact O-N 3.23Å; K605-I607 PolarHBondContact O-N 3.47Å; K605-I607 VanDerWaalsContact O-N 3.11Å; I607-R624 PolarHBondContact O-NH2 3.49Å
608	H	83.1	Confident	84.6	Confident	71 Å²	71	73.4 Å²	73.4	33%	0.329	40%	0.395	S	S	.	.	H	α-helix	trans	-73.7	-47.5	-178.5	-53.6	-55.3	0	0	0	112.1	C588 E590 C591 H604 K605 G610	C588-H608 PolarHBondContact SG-NE2 3.2Å; C588-H608 VanDerWaalsContact SG-NE2 3.43Å; E590-H608 IonicContact OE1-CD2 3.65Å; E590-H608 WeakPolarHBondContact OE2-CB 3.36Å; E590-H608 IonicContact OE2-CD2 3.1Å; E590-H608 PolarHBondContact OE2-CD2 2.89Å; E590-H608 IonicContact OE2-CG 3.81Å; C591-H608 VanDerWaalsContact SG-CE1 3.6Å; C591-H608 PolarHBondContact SG-NE2 3.27Å; C591-H608 VanDerWaalsContact SG-NE2 3.37Å; H604-H608 AromaticContact CE1-NE2 3.99Å; H604-H608 AromaticContact NE2-NE2 3.59Å; K605-H608 PolarHBondContact O-N 3.31Å; K605-H608 VanDerWaalsContact O-N 3.09Å; H608-G610 PolarHBondContact O-N 3.3Å
609	T	81.4	Confident	84.7	Confident	97 Å²	97	71.8 Å²	71.8	60%	0.595	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	4	179.7	66.1	0	0	0	0	114.2	K605 A611	K605-T609 PolarHBondContact O-N 3Å; K605-T609 VanDerWaalsContact O-N 3.11Å; K605-T609 PolarHBondContact O-OG1 3.03Å; T609-A611 PolarHBondContact O-N 3.25Å; T609-A611 WeakPolarHBondContact OG1-CB 3.49Å
610	G	80.4	Confident	84.7	Confident	38 Å²	38	67.8 Å²	67.8	39%	0.392	38%	0.379	S	S	.	.			trans	66.8	-17.1	-174.6	0	0	0	0	0	115.5	R606 H608	R606-G610 CarbonylContact O-C 3.59Å; H608-G610 PolarHBondContact O-N 3.3Å
611	A	82.6	Confident	84.8	Confident	37 Å²	37	70 Å²	70	31%	0.306	39%	0.388	S	S	.	.			trans	-52.2	132.8	-162.3	0	0	0	0	0	114.9	R606 T609	R606-A611 HydrophobicContact CB-CB 4.42Å; R606-A611 PolarHBondContact O-N 3.29Å; T609-A611 PolarHBondContact O-N 3.25Å; T609-A611 WeakPolarHBondContact OG1-CB 3.49Å
612	K	85.8	Confident	84.9	Confident	125 Å²	125	70.7 Å²	70.7	54%	0.543	40%	0.396	S	S	.	.			trans	-127.6	74.9	-179.4	-73.4	162.2	163.1	-169.6	0	110.7	Y614 A622 F623	K612-Y614 PolarHBondContact O-N 3.09Å; K612-A622 HydrophobicContact CB-CB 3.68Å; K612-A622 HydrophobicContact CD-CB 4.12Å; K612-A622 VanDerWaalsContact CD-O 3.28Å; K612-A622 WeakPolarHBondContact CD-O 3.46Å; K612-A622 HydrophobicContact CG-CB 4.5Å; K612-F623 CarbonylContact C-O 3.24Å; K612-F623 WeakPolarHBondContact CA-O 3.49Å
613	P	84.3	Confident	85.1	Confident	76 Å²	76	69.6 Å²	69.6	49%	0.494	39%	0.385	S	S	.	.			trans	-75.8	7.5	-167.2	-16.4	32.9	0	0	0	116
614	Y	87.3	Confident	85.1	Confident	70 Å²	70	70 Å²	70	28%	0.275	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	100.3	-176.6	-48.1	-74.6	0	0	0	109.3	R606 K612 F623 C626	R606-Y614 PolarHBondContact NH1-OH 2.81Å; R606-Y614 VanDerWaalsContact NH1-OH 3.1Å; K612-Y614 PolarHBondContact O-N 3.09Å; Y614-F623 WeakPolarHBondContact CD2-O 3.29Å; Y614-F623 PolarHBondContact N-O 2.67Å; Y614-F623 PolarHBondContact O-N 3.4Å; Y614-C626 HydrophobicContact CD1-CB 3.94Å; Y614-C626 HydrophobicContact CD2-CB 4.34Å; Y614-C626 VanDerWaalsContact CD2-N 3.27Å; Y614-C626 HydrophobicContact CE1-CB 3.89Å; Y614-C626 HydrophobicContact CE2-CB 4.27Å; Y614-C626 VanDerWaalsContact CE2-N 3.29Å; Y614-C626 HydrophobicContact CG-CB 4.17Å
615	E	86.3	Confident	85	Confident	128 Å²	128	71.6 Å²	71.6	60%	0.598	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	142.8	-178.6	-164.7	169.6	157.2	0	0	111.9	A617 G620 A622 L629	E615-A617 PolarHBondContact O-N 3.02Å; E615-G620 WeakPolarHBondContact OE1-CA 3.29Å; E615-A622 HydrophobicContact CG-CB 4.39Å; E615-L629 WeakPolarHBondContact O-CD2 3.32Å
616	C	90.2	Very high	85	Confident	0 Å²	0	71 Å²	71	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	102.8	175.1	-163.2	0	0	0	0	109.8	E618 C619 G620 K621 F623 L629 H636	C616-E618 PolarHBondContact O-N 2.85Å; C616-C619 PolarHBondContact O-N 3.47Å; C616-G620 PolarHBondContact O-N 3.05Å; C616-K621 HydrophobicContact CB-CB 4.45Å; C616-K621 WeakPolarHBondContact CB-O 3.37Å; C616-K621 PolarHBondContact N-O 3.22Å; C616-F623 HydrophobicContact CB-CE2 4.48Å; C616-L629 HydrophobicContact CB-CD1 3.5Å; C616-H636 PolarHBondContact SG-NE2 3.06Å
617	A	85.5	Confident	84.9	Confident	104 Å²	104	72 Å²	72	86%	0.86	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-31	-179	0	0	0	0	0	113.8	E615 C619	E615-A617 PolarHBondContact O-N 3.02Å; A617-C619 VanDerWaalsContact C-N 3.34Å; A617-C619 PolarHBondContact O-N 3.32Å
618	E	83.9	Confident	85	Confident	118 Å²	118	69.8 Å²	69.8	55%	0.551	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-15.4	-179.9	-62.7	162	146.7	0	0	114.4	C616 H636	C616-E618 PolarHBondContact O-N 2.85Å; E618-H636 IonicContact OE2-CD2 3.81Å; E618-H636 PolarHBondContact OE2-CD2 3.38Å; E618-H636 IonicContact OE2-CG 2.74Å
619	C	86.4	Confident	85.1	Confident	50 Å²	50	67.4 Å²	67.4	34%	0.338	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.1	12.9	-176.2	70	0	0	0	0	117	C616 A617 K621 H632 H636	C616-C619 PolarHBondContact O-N 3.47Å; A617-C619 VanDerWaalsContact C-N 3.34Å; A617-C619 PolarHBondContact O-N 3.32Å; C619-K621 PolarHBondContact O-N 3.22Å; C619-H632 PolarHBondContact SG-NE2 2.93Å; C619-H636 VanDerWaalsContact SG-CE1 3.54Å; C619-H636 PolarHBondContact SG-NE2 3.14Å
620	G	83.5	Confident	85.3	Confident	41 Å²	41	65.1 Å²	65.1	42%	0.423	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	4	178.8	0	0	0	0	0	116	E615 C616 A622	E615-G620 WeakPolarHBondContact OE1-CA 3.29Å; C616-G620 PolarHBondContact O-N 3.05Å; G620-A622 PolarHBondContact O-N 3.35Å
621	K	86.3	Confident	85.4	Confident	117 Å²	117	67.7 Å²	67.7	51%	0.509	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	114	-177.5	-72.1	174.4	-172.9	160.2	0	110.3	C616 C619 F623	C616-K621 HydrophobicContact CB-CB 4.45Å; C616-K621 WeakPolarHBondContact CB-O 3.37Å; C616-K621 PolarHBondContact N-O 3.22Å; C619-K621 PolarHBondContact O-N 3.22Å; K621-F623 HydrophobicContact CB-CE2 3.69Å; K621-F623 HydrophobicContact CB-CZ 4.08Å; K621-F623 WeakPolarHBondContact O-CD2 3.38Å; K621-F623 WeakPolarHBondContact O-CE2 3.5Å
622	A	88.5	Confident	85.5	Confident	31 Å²	31	67 Å²	67	26%	0.256	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.7	179.8	0	0	0	0	0	113.2	K612 E615 G620	K612-A622 HydrophobicContact CB-CB 3.68Å; K612-A622 HydrophobicContact CD-CB 4.12Å; K612-A622 VanDerWaalsContact CD-O 3.28Å; K612-A622 WeakPolarHBondContact CD-O 3.46Å; K612-A622 HydrophobicContact CG-CB 4.5Å; E615-A622 HydrophobicContact CG-CB 4.39Å; G620-A622 PolarHBondContact O-N 3.35Å
623	F	87.3	Confident	85.4	Confident	48 Å²	48	64.8 Å²	64.8	21%	0.211	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.3	-175	-64.6	-92.5	0	0	0	112.6	K612 Y614 C616 K621 L629 H632	K612-F623 CarbonylContact C-O 3.24Å; K612-F623 WeakPolarHBondContact CA-O 3.49Å; Y614-F623 WeakPolarHBondContact CD2-O 3.29Å; Y614-F623 PolarHBondContact N-O 2.67Å; Y614-F623 PolarHBondContact O-N 3.4Å; C616-F623 HydrophobicContact CB-CE2 4.48Å; K621-F623 HydrophobicContact CB-CE2 3.69Å; K621-F623 HydrophobicContact CB-CZ 4.08Å; K621-F623 WeakPolarHBondContact O-CD2 3.38Å; K621-F623 WeakPolarHBondContact O-CE2 3.5Å; F623-L629 HydrophobicContact CB-CB 4.34Å; F623-L629 HydrophobicContact CD2-CB 4.16Å; F623-L629 HydrophobicContact CD2-CD1 3.99Å; F623-L629 HydrophobicContact CE2-CD1 4.26Å; F623-L629 HydrophobicContact CG-CB 4.38Å; F623-H632 HydrophobicContact CE1-CB 4.1Å; F623-H632 HydrophobicContact CE2-CB 4.04Å; F623-H632 AromaticContact CE2-CD2 3.25Å; F623-H632 WeakPolarHBondContact CE2-CD2 3.36Å; F623-H632 AromaticContact CE2-CG 3.85Å; F623-H632 HydrophobicContact CZ-CB 3.6Å; F623-H632 AromaticContact CZ-CD2 3.28Å; F623-H632 WeakPolarHBondContact CZ-CD2 3.29Å; F623-H632 AromaticContact CZ-CG 3.45Å; F623-H632 VanDerWaalsContact CZ-CG 3.45Å
624	R	84.8	Confident	85.2	Confident	75 Å²	75	64.4 Å²	64.4	28%	0.283	36%	0.36	S	S	.	.	S	Bend	trans	-77.3	-21.7	180	-167.7	170.6	-79.7	151.6	-10.4	113.6	R606 I607	R606-R624 HydrophobicContact CB-CG 3.65Å; R606-R624 PolarHBondContact NH1-O 3.28Å; R606-R624 PolarHBondContact O-NE 3.48Å; R606-R624 PolarHBondContact O-NH2 3.09Å; I607-R624 PolarHBondContact O-NH2 3.49Å
625	H	83	Confident	84.9	Confident	51 Å²	51	64.7 Å²	64.7	24%	0.236	37%	0.369	C	S	.	.	S	Bend	trans	-137.5	138.9	-173.8	-52	-28.3	0	0	0	110.3	Q603 S627 S628 L629	Q603-H625 WeakPolarHBondContact CG-CE1 3.42Å; Q603-H625 PolarHBondContact NE2-CE1 3.27Å; Q603-H625 PolarHBondContact NE2-ND1 3.16Å; Q603-H625 PolarHBondContact NE2-NE2 3.47Å; H625-S627 VanDerWaalsContact C-N 3.29Å; H625-S627 PolarHBondContact O-N 2.98Å; H625-S628 WeakPolarHBondContact O-CB 3.32Å; H625-S628 PolarHBondContact O-N 3.05Å; H625-S628 VanDerWaalsContact O-N 3.11Å; H625-L629 PolarHBondContact O-N 3.13Å
626	C	83.9	Confident	84.6	Confident	76 Å²	76	61.8 Å²	61.8	51%	0.514	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-32	179.8	52.8	0	0	0	0	112.7	Y614 S628 L629 A630	Y614-C626 HydrophobicContact CD1-CB 3.94Å; Y614-C626 HydrophobicContact CD2-CB 4.34Å; Y614-C626 VanDerWaalsContact CD2-N 3.27Å; Y614-C626 HydrophobicContact CE1-CB 3.89Å; Y614-C626 HydrophobicContact CE2-CB 4.27Å; Y614-C626 VanDerWaalsContact CE2-N 3.29Å; Y614-C626 HydrophobicContact CG-CB 4.17Å; C626-S628 VanDerWaalsContact C-N 3.29Å; C626-S628 PolarHBondContact O-N 2.63Å; C626-L629 PolarHBondContact O-N 2.78Å; C626-A630 WeakPolarHBondContact O-CB 3.45Å; C626-A630 PolarHBondContact O-N 3.49Å
627	S	84.4	Confident	83.7	Confident	76 Å²	76	65.2 Å²	65.2	53%	0.531	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-34.8	172.7	52.3	0	0	0	0	112.8	H625 Q631	H625-S627 VanDerWaalsContact C-N 3.29Å; H625-S627 PolarHBondContact O-N 2.98Å; S627-Q631 WeakPolarHBondContact O-CB 3.49Å; S627-Q631 PolarHBondContact O-N 3.01Å
628	S	85.3	Confident	82.7	Confident	36 Å²	36	66.6 Å²	66.6	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-73.3	-34.5	175.4	-55.1	0	0	0	0	112.3	H625 C626 H632	H625-S628 WeakPolarHBondContact O-CB 3.32Å; H625-S628 PolarHBondContact O-N 3.05Å; H625-S628 VanDerWaalsContact O-N 3.11Å; C626-S628 VanDerWaalsContact C-N 3.29Å; C626-S628 PolarHBondContact O-N 2.63Å; S628-H632 WeakPolarHBondContact O-CB 3.26Å; S628-H632 PolarHBondContact O-N 3.3Å
629	L	87	Confident	82.1	Confident	22 Å²	22	65.4 Å²	65.4	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-50.7	170.7	174.3	59.9	0	0	0	110.7	E615 C616 F623 H625 C626 Q631 H632 Q633	E615-L629 WeakPolarHBondContact O-CD2 3.32Å; C616-L629 HydrophobicContact CB-CD1 3.5Å; F623-L629 HydrophobicContact CB-CB 4.34Å; F623-L629 HydrophobicContact CD2-CB 4.16Å; F623-L629 HydrophobicContact CD2-CD1 3.99Å; F623-L629 HydrophobicContact CE2-CD1 4.26Å; F623-L629 HydrophobicContact CG-CB 4.38Å; H625-L629 PolarHBondContact O-N 3.13Å; C626-L629 PolarHBondContact O-N 2.78Å; L629-Q631 VanDerWaalsContact C-N 3.27Å; L629-Q631 PolarHBondContact O-N 3.5Å; L629-H632 CarbonylContact O-C 3.14Å; L629-H632 WeakPolarHBondContact O-CA 3.15Å; L629-H632 WeakPolarHBondContact O-CB 3.28Å; L629-H632 PolarHBondContact O-N 3.03Å; L629-Q633 HydrophobicContact CD1-CG 4.04Å; L629-Q633 HydrophobicContact CG-CG 4.4Å; L629-Q633 WeakPolarHBondContact O-CG 3.31Å; L629-Q633 PolarHBondContact O-N 3.16Å
630	A	83.9	Confident	81.8	Confident	49 Å²	49	67.2 Å²	67.2	41%	0.405	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-32.8	178.9	0	0	0	0	0	113.2	C626 H632	C626-A630 WeakPolarHBondContact O-CB 3.45Å; C626-A630 PolarHBondContact O-N 3.49Å; A630-H632 VanDerWaalsContact C-N 3.33Å
631	Q	83.1	Confident	81.6	Confident	91 Å²	91	68.9 Å²	68.9	43%	0.425	37%	0.365	S	S	.	.	H	α-helix	trans	-70.4	-28.9	171.6	-175.1	-178.6	25.9	0	0	112.5	S627 L629 Q653	S627-Q631 WeakPolarHBondContact O-CB 3.49Å; S627-Q631 PolarHBondContact O-N 3.01Å; L629-Q631 VanDerWaalsContact C-N 3.27Å; L629-Q631 PolarHBondContact O-N 3.5Å; Q631-Q653 VanDerWaalsContact NE2-CD 3.26Å
632	H	84.7	Confident	81.5	Confident	23 Å²	23	67.7 Å²	67.7	11%	0.106	36%	0.358	C	S	.	.	H	α-helix	trans	-82	-36.6	176.1	173.5	41.8	0	0	0	113.1	C619 F623 S628 L629 A630 K634 T635 H636	C619-H632 PolarHBondContact SG-NE2 2.93Å; F623-H632 HydrophobicContact CE1-CB 4.1Å; F623-H632 HydrophobicContact CE2-CB 4.04Å; F623-H632 AromaticContact CE2-CD2 3.25Å; F623-H632 WeakPolarHBondContact CE2-CD2 3.36Å; F623-H632 AromaticContact CE2-CG 3.85Å; F623-H632 HydrophobicContact CZ-CB 3.6Å; F623-H632 AromaticContact CZ-CD2 3.28Å; F623-H632 WeakPolarHBondContact CZ-CD2 3.29Å; F623-H632 AromaticContact CZ-CG 3.45Å; F623-H632 VanDerWaalsContact CZ-CG 3.45Å; S628-H632 WeakPolarHBondContact O-CB 3.26Å; S628-H632 PolarHBondContact O-N 3.3Å; L629-H632 CarbonylContact O-C 3.14Å; L629-H632 WeakPolarHBondContact O-CA 3.15Å; L629-H632 WeakPolarHBondContact O-CB 3.28Å; L629-H632 PolarHBondContact O-N 3.03Å; A630-H632 VanDerWaalsContact C-N 3.33Å; H632-K634 PolarHBondContact O-N 2.74Å; H632-K634 VanDerWaalsContact O-N 3.15Å; H632-T635 PolarHBondContact CE1-OG1 3.09Å; H632-T635 PolarHBondContact ND1-OG1 3.21Å; H632-T635 WeakPolarHBondContact O-CA 3.38Å; H632-T635 WeakPolarHBondContact O-CB 3.43Å; H632-T635 PolarHBondContact O-N 2.92Å; H632-T635 PolarHBondContact O-OG1 2.86Å; H632-H636 AromaticContact CD2-NE2 3.91Å; H632-H636 AromaticContact CE1-CE1 3.57Å; H632-H636 AromaticContact CE1-NE2 3.24Å; H632-H636 PolarHBondContact CE1-NE2 3.2Å; H632-H636 AromaticContact NE2-CE1 3.76Å; H632-H636 AromaticContact NE2-NE2 3.12Å; H632-H636 PolarHBondContact NE2-NE2 3.04Å; H632-H636 VanDerWaalsContact NE2-NE2 3.12Å
633	Q	82.9	Confident	81.3	Confident	78 Å²	78	71.8 Å²	71.8	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-30.9	177.3	-70.7	172.1	-74.4	0	0	111.8	L629 T635 H636 T637	L629-Q633 HydrophobicContact CD1-CG 4.04Å; L629-Q633 HydrophobicContact CG-CG 4.4Å; L629-Q633 WeakPolarHBondContact O-CG 3.31Å; L629-Q633 PolarHBondContact O-N 3.16Å; Q633-T635 PolarHBondContact O-N 2.95Å; Q633-T635 VanDerWaalsContact O-N 3.07Å; Q633-H636 PolarHBondContact O-N 3.36Å; Q633-T637 PolarHBondContact O-N 3.36Å
634	K	82.1	Confident	81.4	Confident	69 Å²	69	69.7 Å²	69.7	30%	0.3	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-2.9	169.2	-68.5	178.9	175.3	-70.6	0	115.6	H632 E639	H632-K634 PolarHBondContact O-N 2.74Å; H632-K634 VanDerWaalsContact O-N 3.15Å; K634-E639 IonicContact NZ-OE2 3.45Å; K634-E639 PolarHBondContact NZ-OE2 2.95Å
635	T	79.8	Confident	81.3	Confident	76 Å²	76	73.5 Å²	73.5	47%	0.466	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-11	168.1	70.3	0	0	0	0	113	H632 Q633	H632-T635 PolarHBondContact CE1-OG1 3.09Å; H632-T635 PolarHBondContact ND1-OG1 3.21Å; H632-T635 WeakPolarHBondContact O-CA 3.38Å; H632-T635 WeakPolarHBondContact O-CB 3.43Å; H632-T635 PolarHBondContact O-N 2.92Å; H632-T635 PolarHBondContact O-OG1 2.86Å; Q633-T635 PolarHBondContact O-N 2.95Å; Q633-T635 VanDerWaalsContact O-N 3.07Å
636	H	79.3	Confident	81.2	Confident	67 Å²	67	77.7 Å²	77.7	31%	0.31	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-37.8	173.4	-57.6	-52.3	0	0	0	111.3	C616 E618 C619 H632 Q633 E638	C616-H636 PolarHBondContact SG-NE2 3.06Å; E618-H636 IonicContact OE2-CD2 3.81Å; E618-H636 PolarHBondContact OE2-CD2 3.38Å; E618-H636 IonicContact OE2-CG 2.74Å; C619-H636 VanDerWaalsContact SG-CE1 3.54Å; C619-H636 PolarHBondContact SG-NE2 3.14Å; H632-H636 AromaticContact CD2-NE2 3.91Å; H632-H636 AromaticContact CE1-CE1 3.57Å; H632-H636 AromaticContact CE1-NE2 3.24Å; H632-H636 PolarHBondContact CE1-NE2 3.2Å; H632-H636 AromaticContact NE2-CE1 3.76Å; H632-H636 AromaticContact NE2-NE2 3.12Å; H632-H636 PolarHBondContact NE2-NE2 3.04Å; H632-H636 VanDerWaalsContact NE2-NE2 3.12Å; Q633-H636 PolarHBondContact O-N 3.36Å; H636-E638 PolarHBondContact O-N 3.04Å
637	T	71.4	Confident	81.4	Confident	72 Å²	72	76 Å²	76	44%	0.442	40%	0.395	S	S	.	.	S	Bend	trans	-76.6	1.3	176.3	62.5	0	0	0	0	114.5	Q633 E639	Q633-T637 PolarHBondContact O-N 3.36Å; T637-E639 PolarHBondContact O-N 3.31Å; T637-E639 WeakPolarHBondContact OG1-CG 3.16Å
638	E	65.5	Low	81.1	Confident	133 Å²	133	80.9 Å²	80.9	62%	0.621	41%	0.409	S	S	*	.			trans	54.2	1.7	-173	-79.3	-97.2	145.1	0	0	115.7	H636 K640	H636-E638 PolarHBondContact O-N 3.04Å; E638-K640 WeakPolarHBondContact O-CE 3.25Å; E638-K640 WeakPolarHBondContact O-CG 3.48Å; E638-K640 PolarHBondContact O-N 3.39Å; E638-K640 IonicContact OE2-NZ 2.67Å; E638-K640 PolarHBondContact OE2-NZ 2.69Å
639	E	71.9	Confident	81.1	Confident	92 Å²	92	85.4 Å²	85.4	43%	0.43	43%	0.425	S	S	.	.			trans	-55.6	120.1	-174.4	-80.4	-177	-178.9	0	0	112.2	K634 T637 P641 S652	K634-E639 IonicContact NZ-OE2 3.45Å; K634-E639 PolarHBondContact NZ-OE2 2.95Å; T637-E639 PolarHBondContact O-N 3.31Å; T637-E639 WeakPolarHBondContact OG1-CG 3.16Å; E639-P641 VanDerWaalsContact C-CD 3.5Å; E639-P641 HydrophobicContact CB-CG 4.37Å; E639-P641 WeakPolarHBondContact O-CD 3.38Å; E639-S652 VanDerWaalsContact O-CB 3.31Å; E639-S652 WeakPolarHBondContact O-CB 3.33Å
640	K	78.6	Confident	80.9	Confident	88 Å²	88	87.3 Å²	87.3	38%	0.383	44%	0.437	S	S	.	.			trans	-121.8	66.7	174.8	-65.8	149.9	-162.2	151.6	0	110.8	E638 Y642 T650 F651	E638-K640 WeakPolarHBondContact O-CE 3.25Å; E638-K640 WeakPolarHBondContact O-CG 3.48Å; E638-K640 PolarHBondContact O-N 3.39Å; E638-K640 IonicContact OE2-NZ 2.67Å; E638-K640 PolarHBondContact OE2-NZ 2.69Å; K640-Y642 PolarHBondContact O-N 2.99Å; K640-T650 WeakPolarHBondContact CB-OG1 3.31Å; K640-F651 CarbonylContact C-O 3.55Å; K640-F651 VanDerWaalsContact CA-O 3.28Å; K640-F651 WeakPolarHBondContact CA-O 3.4Å
641	P	80.4	Confident	80.9	Confident	77 Å²	77	87 Å²	87	50%	0.5	43%	0.426	S	S	.	.			trans	-68	-10.7	-169.4	-17.5	32.8	0	0	0	114.5	E639	E639-P641 VanDerWaalsContact C-CD 3.5Å; E639-P641 HydrophobicContact CB-CG 4.37Å; E639-P641 WeakPolarHBondContact O-CD 3.38Å
642	Y	83.2	Confident	80.9	Confident	92 Å²	92	84.2 Å²	84.2	36%	0.361	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	81.3	-175.1	-53.9	-73.9	0	0	0	109.7	K640 F651 S654	K640-Y642 PolarHBondContact O-N 2.99Å; Y642-F651 WeakPolarHBondContact CB-O 3.49Å; Y642-F651 WeakPolarHBondContact CD2-O 3.44Å; Y642-F651 PolarHBondContact N-O 3.21Å; Y642-F651 VanDerWaalsContact N-O 3.09Å; Y642-F651 WeakPolarHBondContact O-CD2 3.48Å; Y642-F651 PolarHBondContact O-N 3.19Å; Y642-S654 VanDerWaalsContact CD2-N 3.32Å
643	Q	84.9	Confident	80.8	Confident	117 Å²	117	85.1 Å²	85.1	55%	0.547	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	149.5	173.5	-173.9	169.1	-3.5	0	0	111.7	T650 L657	Q643-T650 HydrophobicContact CB-CG2 4Å; Q643-T650 HydrophobicContact CG-CG2 3.96Å; Q643-L657 VanDerWaalsContact O-CD2 3.31Å; Q643-L657 WeakPolarHBondContact O-CD2 3.26Å
644	C	88.9	Confident	80.9	Confident	4 Å²	4	84.4 Å²	84.4	3%	0.027	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.2	172	-168.5	0	0	0	0	112	K646 C647 K649 L657	C644-K646 PolarHBondContact O-N 3.04Å; C644-C647 WeakPolarHBondContact CB-O 3.41Å; C644-C647 CarbonylContact O-C 3.59Å; C644-C647 PolarHBondContact O-N 3.23Å; C644-K649 PolarHBondContact N-O 3.03Å; C644-L657 HydrophobicContact CB-CD1 3.62Å
645	N	83.6	Confident	81.1	Confident	155 Å²	155	84.1 Å²	84.1	83%	0.829	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.2	-179.3	-54.3	17.7	0	0	0	114.1
646	K	80.5	Confident	81.3	Confident	138 Å²	138	84.4 Å²	84.4	60%	0.6	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-9.7	179.1	-73.8	-171	172.6	-168.4	0	114.3	C644 H664	C644-K646 PolarHBondContact O-N 3.04Å; K646-H664 HydrophobicContact CB-CB 4.43Å; K646-H664 HydrophobicContact CD-CB 3.51Å; K646-H664 PolarHBondContact NZ-O 3.24Å
647	C	87.4	Confident	81.7	Confident	41 Å²	41	82.1 Å²	82.1	28%	0.277	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	154.5	170.3	66.6	0	0	0	0	109.7	C644 K649 H660 H664	C644-C647 WeakPolarHBondContact CB-O 3.41Å; C644-C647 CarbonylContact O-C 3.59Å; C644-C647 PolarHBondContact O-N 3.23Å; C647-K649 PolarHBondContact O-N 2.77Å; C647-H660 PolarHBondContact SG-NE2 3.41Å; C647-H664 VanDerWaalsContact SG-CE1 3.57Å; C647-H664 PolarHBondContact SG-NE2 2.93Å
648	E	79.4	Confident	82.3	Confident	178 Å²	178	82 Å²	82	83%	0.832	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	8.7	-171.5	-61.7	167	170.9	0	0	116.1	T650	E648-T650 PolarHBondContact O-N 2.63Å
649	K	84	Confident	83.2	Confident	132 Å²	132	78.8 Å²	78.8	57%	0.574	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	119.8	177.4	-65.5	-176.9	178.6	178.8	0	110.9	C644 C647 F651	C644-K649 PolarHBondContact N-O 3.03Å; C647-K649 PolarHBondContact O-N 2.77Å; K649-F651 HydrophobicContact CB-CE2 3.87Å; K649-F651 HydrophobicContact CB-CZ 3.95Å; K649-F651 WeakPolarHBondContact O-CE2 3.34Å
650	T	83.9	Confident	83.9	Confident	61 Å²	61	75.4 Å²	75.4	37%	0.374	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.6	176.9	57.8	0	0	0	0	110.9	K640 Q643 E648	K640-T650 WeakPolarHBondContact CB-OG1 3.31Å; Q643-T650 HydrophobicContact CB-CG2 4Å; Q643-T650 HydrophobicContact CG-CG2 3.96Å; E648-T650 PolarHBondContact O-N 2.63Å
651	F	83.6	Confident	84.2	Confident	42 Å²	42	74.7 Å²	74.7	18%	0.184	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.4	-176.1	-59	-90.4	0	0	0	111.2	K640 Y642 K649 Q653 H656 L657 H660	K640-F651 CarbonylContact C-O 3.55Å; K640-F651 VanDerWaalsContact CA-O 3.28Å; K640-F651 WeakPolarHBondContact CA-O 3.4Å; Y642-F651 WeakPolarHBondContact CB-O 3.49Å; Y642-F651 WeakPolarHBondContact CD2-O 3.44Å; Y642-F651 PolarHBondContact N-O 3.21Å; Y642-F651 VanDerWaalsContact N-O 3.09Å; Y642-F651 WeakPolarHBondContact O-CD2 3.48Å; Y642-F651 PolarHBondContact O-N 3.19Å; K649-F651 HydrophobicContact CB-CE2 3.87Å; K649-F651 HydrophobicContact CB-CZ 3.95Å; K649-F651 WeakPolarHBondContact O-CE2 3.34Å; F651-Q653 PolarHBondContact O-N 2.91Å; F651-H656 HydrophobicContact CB-CB 4.28Å; F651-H656 HydrophobicContact CD1-CB 3.84Å; F651-H656 HydrophobicContact CG-CB 4.32Å; F651-L657 HydrophobicContact CB-CB 4.37Å; F651-L657 HydrophobicContact CD2-CB 4.03Å; F651-L657 HydrophobicContact CD2-CD1 3.98Å; F651-L657 HydrophobicContact CE2-CD1 4.2Å; F651-L657 HydrophobicContact CG-CB 4.37Å; F651-H660 HydrophobicContact CE1-CB 4.09Å; F651-H660 HydrophobicContact CE2-CB 3.93Å; F651-H660 AromaticContact CE2-CD2 3.4Å; F651-H660 WeakPolarHBondContact CE2-CD2 3.46Å; F651-H660 AromaticContact CE2-CG 3.76Å; F651-H660 HydrophobicContact CZ-CB 3.51Å; F651-H660 AromaticContact CZ-CD2 3.44Å; F651-H660 VanDerWaalsContact CZ-CD2 3.44Å; F651-H660 WeakPolarHBondContact CZ-CD2 3.5Å; F651-H660 AromaticContact CZ-CG 3.35Å
652	S	82.3	Confident	84.5	Confident	34 Å²	34	73.3 Å²	73.3	24%	0.238	37%	0.369	C	S	.	.	S	Bend	trans	-77.9	-6.1	173.9	55.5	0	0	0	0	113.9	E639	E639-S652 VanDerWaalsContact O-CB 3.31Å; E639-S652 WeakPolarHBondContact O-CB 3.33Å
653	Q	83.3	Confident	84.6	Confident	42 Å²	42	74.9 Å²	74.9	20%	0.196	38%	0.382	C	S	.	.	S	Bend	trans	-140.7	134.2	-178.4	-50.4	-173.8	21.4	0	0	111.6	Q631 F651 S655 H656 L657	Q631-Q653 VanDerWaalsContact NE2-CD 3.26Å; F651-Q653 PolarHBondContact O-N 2.91Å; Q653-S655 VanDerWaalsContact C-N 3.29Å; Q653-S655 PolarHBondContact O-N 3.4Å; Q653-H656 HydrophobicContact CB-CB 4.4Å; Q653-H656 PolarHBondContact O-N 3.28Å; Q653-H656 VanDerWaalsContact O-N 3.11Å; Q653-L657 PolarHBondContact O-N 3.05Å; Q653-L657 VanDerWaalsContact O-N 3.16Å
654	S	84.6	Confident	84.5	Confident	62 Å²	62	72.2 Å²	72.2	43%	0.434	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-36.4	177.6	53	0	0	0	0	112.7	Y642 H656 L657 T658	Y642-S654 VanDerWaalsContact CD2-N 3.32Å; S654-H656 VanDerWaalsContact C-N 3.29Å; S654-H656 PolarHBondContact O-N 3.31Å; S654-L657 PolarHBondContact O-N 2.81Å; S654-T658 PolarHBondContact O-N 2.81Å; S654-T658 PolarHBondContact O-OG1 3.44Å
655	S	85.5	Confident	84.2	Confident	64 Å²	64	75.5 Å²	75.5	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-57.6	-38.6	173.5	52.2	0	0	0	0	113	Q653 Q659	Q653-S655 VanDerWaalsContact C-N 3.29Å; Q653-S655 PolarHBondContact O-N 3.4Å; S655-Q659 WeakPolarHBondContact O-CB 3.34Å; S655-Q659 PolarHBondContact O-N 3.43Å
656	H	85.6	Confident	84.1	Confident	82 Å²	82	70.6 Å²	70.6	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-73.6	-39.6	176.6	-64	161.4	0	0	0	111.5	F651 Q653 S654 Q659 H660	F651-H656 HydrophobicContact CB-CB 4.28Å; F651-H656 HydrophobicContact CD1-CB 3.84Å; F651-H656 HydrophobicContact CG-CB 4.32Å; Q653-H656 HydrophobicContact CB-CB 4.4Å; Q653-H656 PolarHBondContact O-N 3.28Å; Q653-H656 VanDerWaalsContact O-N 3.11Å; S654-H656 VanDerWaalsContact C-N 3.29Å; S654-H656 PolarHBondContact O-N 3.31Å; H656-Q659 PolarHBondContact O-N 3.5Å; H656-H660 VanDerWaalsContact O-CB 3.32Å; H656-H660 WeakPolarHBondContact O-CB 3.5Å; H656-H660 PolarHBondContact O-N 3.08Å
657	L	86.4	Confident	84.3	Confident	19 Å²	19	68.5 Å²	68.5	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-60.1	-48.9	171.2	173.3	61.4	0	0	0	111.4	Q643 C644 F651 Q653 S654 Q659 H660 Q661	Q643-L657 VanDerWaalsContact O-CD2 3.31Å; Q643-L657 WeakPolarHBondContact O-CD2 3.26Å; C644-L657 HydrophobicContact CB-CD1 3.62Å; F651-L657 HydrophobicContact CB-CB 4.37Å; F651-L657 HydrophobicContact CD2-CB 4.03Å; F651-L657 HydrophobicContact CD2-CD1 3.98Å; F651-L657 HydrophobicContact CE2-CD1 4.2Å; F651-L657 HydrophobicContact CG-CB 4.37Å; Q653-L657 PolarHBondContact O-N 3.05Å; Q653-L657 VanDerWaalsContact O-N 3.16Å; S654-L657 PolarHBondContact O-N 2.81Å; L657-Q659 VanDerWaalsContact C-N 3.31Å; L657-Q659 PolarHBondContact O-N 2.96Å; L657-H660 CarbonylContact O-C 3.25Å; L657-H660 WeakPolarHBondContact O-CB 3.47Å; L657-H660 PolarHBondContact O-N 2.84Å; L657-H660 VanDerWaalsContact O-N 3.08Å; L657-Q661 HydrophobicContact CD1-CG 4.01Å; L657-Q661 HydrophobicContact CG-CG 4.35Å; L657-Q661 WeakPolarHBondContact O-CG 3.27Å; L657-Q661 PolarHBondContact O-N 3.27Å
658	T	84.3	Confident	84.3	Confident	69 Å²	69	72.8 Å²	72.8	42%	0.423	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-38.6	178.2	-53.8	0	0	0	0	112	S654	S654-T658 PolarHBondContact O-N 2.81Å; S654-T658 PolarHBondContact O-OG1 3.44Å
659	Q	85.1	Confident	84.7	Confident	65 Å²	65	67.5 Å²	67.5	30%	0.304	36%	0.363	S	S	.	.	H	α-helix	trans	-66.5	-37.4	173.6	-176.8	175.5	104.9	0	0	112.3	S655 H656 L657 R681	S655-Q659 WeakPolarHBondContact O-CB 3.34Å; S655-Q659 PolarHBondContact O-N 3.43Å; H656-Q659 PolarHBondContact O-N 3.5Å; L657-Q659 VanDerWaalsContact C-N 3.31Å; L657-Q659 PolarHBondContact O-N 2.96Å; Q659-R681 HydrophobicContact CG-CG 4.19Å
660	H	86.2	Confident	84.9	Confident	21 Å²	21	64.9 Å²	64.9	10%	0.097	35%	0.35	C	S	.	.	H	α-helix	trans	-70.8	-38.6	177	175.3	56.2	0	0	0	112.6	C647 F651 H656 L657 R662 I663 H664	C647-H660 PolarHBondContact SG-NE2 3.41Å; F651-H660 HydrophobicContact CE1-CB 4.09Å; F651-H660 HydrophobicContact CE2-CB 3.93Å; F651-H660 AromaticContact CE2-CD2 3.4Å; F651-H660 WeakPolarHBondContact CE2-CD2 3.46Å; F651-H660 AromaticContact CE2-CG 3.76Å; F651-H660 HydrophobicContact CZ-CB 3.51Å; F651-H660 AromaticContact CZ-CD2 3.44Å; F651-H660 VanDerWaalsContact CZ-CD2 3.44Å; F651-H660 WeakPolarHBondContact CZ-CD2 3.5Å; F651-H660 AromaticContact CZ-CG 3.35Å; H656-H660 VanDerWaalsContact O-CB 3.32Å; H656-H660 WeakPolarHBondContact O-CB 3.5Å; H656-H660 PolarHBondContact O-N 3.08Å; L657-H660 CarbonylContact O-C 3.25Å; L657-H660 WeakPolarHBondContact O-CB 3.47Å; L657-H660 PolarHBondContact O-N 2.84Å; L657-H660 VanDerWaalsContact O-N 3.08Å; H660-R662 PolarHBondContact O-N 3.28Å; H660-I663 VanDerWaalsContact O-CB 3.27Å; H660-I663 WeakPolarHBondContact O-CB 3.44Å; H660-I663 WeakPolarHBondContact O-CG1 3.27Å; H660-I663 PolarHBondContact O-N 3.08Å; H660-H664 AromaticContact CD2-NE2 3.87Å; H660-H664 AromaticContact CE1-NE2 3.42Å; H660-H664 PolarHBondContact CE1-NE2 3.24Å; H660-H664 AromaticContact NE2-CD2 3.69Å; H660-H664 AromaticContact NE2-NE2 3Å; H660-H664 PolarHBondContact NE2-NE2 2.87Å
661	Q	85.1	Confident	85.1	Confident	73 Å²	73	69.2 Å²	69.2	34%	0.341	36%	0.364	S	S	.	.	H	α-helix	trans	-56.2	-32.6	176.7	-77.4	167.6	-29.7	0	0	112.4	L657 I663 H664 T665	L657-Q661 HydrophobicContact CD1-CG 4.01Å; L657-Q661 HydrophobicContact CG-CG 4.35Å; L657-Q661 WeakPolarHBondContact O-CG 3.27Å; L657-Q661 PolarHBondContact O-N 3.27Å; Q661-I663 PolarHBondContact O-N 2.79Å; Q661-H664 CarbonylContact O-C 3.59Å; Q661-H664 WeakPolarHBondContact O-CA 3.36Å; Q661-H664 WeakPolarHBondContact O-CB 3.34Å; Q661-H664 PolarHBondContact O-N 2.96Å; Q661-T665 PolarHBondContact O-N 2.82Å; Q661-T665 VanDerWaalsContact O-N 3.11Å
662	R	87.5	Confident	85.4	Confident	49 Å²	49	67.8 Å²	67.8	19%	0.185	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-22	174.1	-63.4	178.7	-178.6	171.7	0.9	114.4	H660 H664 G666 E667 S680	H660-R662 PolarHBondContact O-N 3.28Å; R662-H664 VanDerWaalsContact C-N 3.31Å; R662-G666 CarbonylContact O-C 3.1Å; R662-G666 WeakPolarHBondContact O-CA 3.27Å; R662-G666 PolarHBondContact O-N 3.44Å; R662-E667 HydrophobicContact CB-CB 4.16Å; R662-E667 HydrophobicContact CG-CB 3.97Å; R662-E667 PolarHBondContact O-N 3.49Å; R662-S680 PolarHBondContact NH1-O 3.12Å
663	I	83.8	Confident	85.5	Confident	124 Å²	124	73.4 Å²	73.4	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-69.2	-35.5	171.9	-53.5	-178.9	0	0	0	109.8	H660 Q661	H660-I663 VanDerWaalsContact O-CB 3.27Å; H660-I663 WeakPolarHBondContact O-CB 3.44Å; H660-I663 WeakPolarHBondContact O-CG1 3.27Å; H660-I663 PolarHBondContact O-N 3.08Å; Q661-I663 PolarHBondContact O-N 2.79Å
664	H	83.5	Confident	85.6	Confident	62 Å²	62	76.5 Å²	76.5	29%	0.287	40%	0.401	S	S	.	.	H	α-helix	trans	-88.1	-9.4	-180	-59.7	-73.3	0	0	0	115.1	K646 C647 H660 Q661 R662	K646-H664 HydrophobicContact CB-CB 4.43Å; K646-H664 HydrophobicContact CD-CB 3.51Å; K646-H664 PolarHBondContact NZ-O 3.24Å; C647-H664 VanDerWaalsContact SG-CE1 3.57Å; C647-H664 PolarHBondContact SG-NE2 2.93Å; H660-H664 AromaticContact CD2-NE2 3.87Å; H660-H664 AromaticContact CE1-NE2 3.42Å; H660-H664 PolarHBondContact CE1-NE2 3.24Å; H660-H664 AromaticContact NE2-CD2 3.69Å; H660-H664 AromaticContact NE2-NE2 3Å; H660-H664 PolarHBondContact NE2-NE2 2.87Å; Q661-H664 CarbonylContact O-C 3.59Å; Q661-H664 WeakPolarHBondContact O-CA 3.36Å; Q661-H664 WeakPolarHBondContact O-CB 3.34Å; Q661-H664 PolarHBondContact O-N 2.96Å; R662-H664 VanDerWaalsContact C-N 3.31Å
665	T	82.6	Confident	85.8	Confident	73 Å²	73	75.1 Å²	75.1	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-111.5	-9.1	173	60.7	0	0	0	0	112.9	Q661 E667	Q661-T665 PolarHBondContact O-N 2.82Å; Q661-T665 VanDerWaalsContact O-N 3.11Å; T665-E667 VanDerWaalsContact CB-OE1 3.29Å; T665-E667 WeakPolarHBondContact CB-OE1 3.4Å; T665-E667 PolarHBondContact O-N 2.89Å; T665-E667 WeakPolarHBondContact OG1-CB 3.39Å; T665-E667 VanDerWaalsContact OG1-CD 3.22Å; T665-E667 VanDerWaalsContact OG1-CG 3.31Å; T665-E667 WeakPolarHBondContact OG1-CG 3.39Å; T665-E667 PolarHBondContact OG1-OE1 2.88Å
666	G	81.6	Confident	85.7	Confident	52 Å²	52	80.1 Å²	80.1	54%	0.536	41%	0.412	S	S	.	.			trans	70.6	4.1	-174.8	0	0	0	0	0	114.3	R662 K668	R662-G666 CarbonylContact O-C 3.1Å; R662-G666 WeakPolarHBondContact O-CA 3.27Å; R662-G666 PolarHBondContact O-N 3.44Å; G666-K668 PolarHBondContact O-N 3.48Å
667	E	85.1	Confident	85.9	Confident	94 Å²	94	81.9 Å²	81.9	44%	0.439	42%	0.419	S	S	.	.			trans	-58.2	127.6	-173.5	-86.8	167.7	-117.6	0	0	113.2	R662 T665 S680	R662-E667 HydrophobicContact CB-CB 4.16Å; R662-E667 HydrophobicContact CG-CB 3.97Å; R662-E667 PolarHBondContact O-N 3.49Å; T665-E667 VanDerWaalsContact CB-OE1 3.29Å; T665-E667 WeakPolarHBondContact CB-OE1 3.4Å; T665-E667 PolarHBondContact O-N 2.89Å; T665-E667 WeakPolarHBondContact OG1-CB 3.39Å; T665-E667 VanDerWaalsContact OG1-CD 3.22Å; T665-E667 VanDerWaalsContact OG1-CG 3.31Å; T665-E667 WeakPolarHBondContact OG1-CG 3.39Å; T665-E667 PolarHBondContact OG1-OE1 2.88Å; E667-S680 WeakPolarHBondContact O-CB 3.36Å
668	K	87	Confident	86	Confident	130 Å²	130	82.2 Å²	82.2	57%	0.565	43%	0.425	S	S	*	.			trans	-125.1	74.3	177	-73	162.8	167.5	-174.5	0	110.4	G666 Y670 A678 F679	G666-K668 PolarHBondContact O-N 3.48Å; K668-Y670 PolarHBondContact O-N 3.09Å; K668-A678 HydrophobicContact CB-CB 3.69Å; K668-A678 HydrophobicContact CD-CB 4.35Å; K668-A678 VanDerWaalsContact CD-O 3.26Å; K668-A678 WeakPolarHBondContact CD-O 3.24Å; K668-F679 CarbonylContact C-O 3.47Å; K668-F679 VanDerWaalsContact C-O 3.25Å; K668-F679 VanDerWaalsContact CA-O 3.27Å; K668-F679 WeakPolarHBondContact CA-O 3.41Å
669	P	87.4	Confident	86.2	Confident	67 Å²	67	81 Å²	81	44%	0.435	41%	0.413	S	S	.	.			trans	-69	-19.6	-173.1	-20.6	35.1	0	0	0	114.1	K671	P669-K671 PolarHBondContact O-N 3.06Å
670	Y	89.3	Confident	86.3	Confident	77 Å²	77	79.8 Å²	79.8	30%	0.302	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	88.9	-176.4	-51.3	-72.5	0	0	0	109.4	K668 A678 F679 S680 S682	K668-Y670 PolarHBondContact O-N 3.09Å; Y670-A678 WeakPolarHBondContact O-CA 3.28Å; Y670-F679 WeakPolarHBondContact CD2-O 3.28Å; Y670-F679 PolarHBondContact N-O 3.02Å; Y670-F679 VanDerWaalsContact N-O 3.11Å; Y670-F679 PolarHBondContact O-N 3.05Å; Y670-S680 WeakPolarHBondContact CE2-O 3.45Å; Y670-S682 VanDerWaalsContact CD2-N 3.28Å; Y670-S682 VanDerWaalsContact CE2-N 3.29Å
671	K	86.7	Confident	86.2	Confident	153 Å²	153	83.3 Å²	83.3	67%	0.665	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	144.4	172.8	-60.7	-173.8	178.2	-174	0	110.2	P669 A678 L685	P669-K671 PolarHBondContact O-N 3.06Å; K671-A678 HydrophobicContact CG-CB 4.04Å; K671-L685 WeakPolarHBondContact O-CD2 3.44Å
672	C	90.3	Very high	86.3	Confident	11 Å²	11	82.6 Å²	82.6	7%	0.074	43%	0.427	C	S	.	.			trans	-74.6	148.6	163	-169.4	0	0	0	0	109.7	E674 C675 K677 L685	C672-E674 PolarHBondContact SG-N 2.74Å; C672-E674 VanDerWaalsContact SG-N 3.42Å; C672-C675 WeakPolarHBondContact CB-O 3.44Å; C672-K677 WeakPolarHBondContact CB-O 3.24Å; C672-K677 PolarHBondContact N-O 3.47Å; C672-L685 HydrophobicContact CB-CD1 3.76Å
673	N	85.7	Confident	86.2	Confident	152 Å²	152	83.2 Å²	83.2	81%	0.813	44%	0.437	S	S	*	.	S	Bend	trans	-90.9	-12.8	175.3	-63.9	-11.6	0	0	0	112.1
674	E	83.7	Confident	86.3	Confident	107 Å²	107	80.9 Å²	80.9	50%	0.5	42%	0.423	S	S	.	.	S	Bend	trans	-108.8	-11.4	-171.4	-65.3	158	169.2	0	0	112.5	C672 H692	C672-E674 PolarHBondContact SG-N 2.74Å; C672-E674 VanDerWaalsContact SG-N 3.42Å; E674-H692 WeakPolarHBondContact OE2-CB 3.5Å; E674-H692 IonicContact OE2-CD2 3.16Å; E674-H692 PolarHBondContact OE2-CD2 2.8Å; E674-H692 IonicContact OE2-CG 3.4Å
675	C	90.4	Very high	86.5	Confident	33 Å²	33	79 Å²	79	22%	0.223	42%	0.415	C	S	.	.	S	Bend	trans	-162	168.8	166.5	69.2	0	0	0	0	111.3	C672 K677 H688 H692	C672-C675 WeakPolarHBondContact CB-O 3.44Å; C675-K677 PolarHBondContact O-N 3.49Å; C675-H688 PolarHBondContact SG-NE2 3.35Å; C675-H688 VanDerWaalsContact SG-NE2 3.35Å; C675-H692 WeakPolarHBondContact CB-NE2 3.43Å; C675-H692 PolarHBondContact SG-NE2 3.3Å
676	D	83.6	Confident	86.6	Confident	170 Å²	170	79 Å²	79	91%	0.909	42%	0.415	S	S	*	.	S	Bend	trans	-68.8	8	-174.7	-53.2	-76	0	0	0	116.1	A678	D676-A678 PolarHBondContact O-N 2.96Å
677	K	87.9	Confident	86.8	Confident	119 Å²	119	79.9 Å²	79.9	52%	0.517	41%	0.405	S	S	.	.			trans	-75.2	123.1	-178.4	-70.1	174.6	-177.1	165	0	110.9	C672 C675 F679	C672-K677 WeakPolarHBondContact CB-O 3.24Å; C672-K677 PolarHBondContact N-O 3.47Å; C675-K677 PolarHBondContact O-N 3.49Å; K677-F679 HydrophobicContact CB-CE2 3.72Å; K677-F679 HydrophobicContact CB-CZ 3.89Å; K677-F679 WeakPolarHBondContact O-CE2 3.45Å
678	A	89	Confident	86.9	Confident	26 Å²	26	76.3 Å²	76.3	22%	0.215	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.8	177.3	0	0	0	0	0	112.3	K668 Y670 K671 D676	K668-A678 HydrophobicContact CB-CB 3.69Å; K668-A678 HydrophobicContact CD-CB 4.35Å; K668-A678 VanDerWaalsContact CD-O 3.26Å; K668-A678 WeakPolarHBondContact CD-O 3.24Å; Y670-A678 WeakPolarHBondContact O-CA 3.28Å; K671-A678 HydrophobicContact CG-CB 4.04Å; D676-A678 PolarHBondContact O-N 2.96Å
679	F	88.9	Confident	86.7	Confident	43 Å²	43	72.9 Å²	72.9	19%	0.189	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.3	-169.8	-57.4	-94.8	0	0	0	111.9	K668 Y670 K677 H684 L685 H688	K668-F679 CarbonylContact C-O 3.47Å; K668-F679 VanDerWaalsContact C-O 3.25Å; K668-F679 VanDerWaalsContact CA-O 3.27Å; K668-F679 WeakPolarHBondContact CA-O 3.41Å; Y670-F679 WeakPolarHBondContact CD2-O 3.28Å; Y670-F679 PolarHBondContact N-O 3.02Å; Y670-F679 VanDerWaalsContact N-O 3.11Å; Y670-F679 PolarHBondContact O-N 3.05Å; K677-F679 HydrophobicContact CB-CE2 3.72Å; K677-F679 HydrophobicContact CB-CZ 3.89Å; K677-F679 WeakPolarHBondContact O-CE2 3.45Å; F679-H684 HydrophobicContact CB-CB 4.28Å; F679-H684 HydrophobicContact CD1-CB 3.68Å; F679-H684 HydrophobicContact CE1-CB 4.43Å; F679-H684 HydrophobicContact CG-CB 4.23Å; F679-L685 HydrophobicContact CB-CB 4.44Å; F679-L685 HydrophobicContact CD2-CB 4.05Å; F679-L685 HydrophobicContact CD2-CD1 4.01Å; F679-L685 HydrophobicContact CE2-CD1 4.19Å; F679-L685 HydrophobicContact CG-CB 4.4Å; F679-H688 HydrophobicContact CE1-CB 4.29Å; F679-H688 HydrophobicContact CE2-CB 4.17Å; F679-H688 AromaticContact CE2-CD2 3.32Å; F679-H688 WeakPolarHBondContact CE2-CD2 3.43Å; F679-H688 AromaticContact CE2-CG 3.99Å; F679-H688 HydrophobicContact CZ-CB 3.71Å; F679-H688 AromaticContact CZ-CD2 3.34Å; F679-H688 WeakPolarHBondContact CZ-CD2 3.34Å; F679-H688 AromaticContact CZ-CG 3.59Å
680	S	86.3	Confident	86.7	Confident	39 Å²	39	70.5 Å²	70.5	27%	0.273	36%	0.358	S	S	.	.	S	Bend	trans	-82.1	-15.3	177.2	56.3	0	0	0	0	113.7	R662 E667 Y670	R662-S680 PolarHBondContact NH1-O 3.12Å; E667-S680 WeakPolarHBondContact O-CB 3.36Å; Y670-S680 WeakPolarHBondContact CE2-O 3.45Å
681	R	85.6	Confident	86.4	Confident	95 Å²	95	71.2 Å²	71.2	36%	0.358	37%	0.37	S	S	.	.	S	Bend	trans	-128.7	138.4	179.3	-63.6	177.7	64.7	143.3	2.2	110.3	Q659 T683 H684 L685	Q659-R681 HydrophobicContact CG-CG 4.19Å; R681-T683 VanDerWaalsContact C-N 3.33Å; R681-T683 PolarHBondContact O-N 3.3Å; R681-H684 PolarHBondContact O-N 3.34Å; R681-L685 PolarHBondContact O-N 3.47Å
682	S	86.2	Confident	86.2	Confident	58 Å²	58	68.5 Å²	68.5	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-34.1	178	48.5	0	0	0	0	112.8	Y670 H684 L685 T686	Y670-S682 VanDerWaalsContact CD2-N 3.28Å; Y670-S682 VanDerWaalsContact CE2-N 3.29Å; S682-H684 VanDerWaalsContact C-N 3.32Å; S682-H684 PolarHBondContact O-N 3.36Å; S682-L685 WeakPolarHBondContact O-CB 3.39Å; S682-L685 PolarHBondContact O-N 3.15Å; S682-L685 VanDerWaalsContact O-N 3.09Å; S682-T686 PolarHBondContact O-N 3.5Å; S682-T686 PolarHBondContact O-OG1 3.39Å
683	T	85.1	Confident	85.8	Confident	62 Å²	62	71.4 Å²	71.4	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-57.8	-44.1	176.6	55.5	0	0	0	0	111.8	R681 L685 T686 E687	R681-T683 VanDerWaalsContact C-N 3.33Å; R681-T683 PolarHBondContact O-N 3.3Å; T683-L685 VanDerWaalsContact C-N 3.3Å; T683-L685 PolarHBondContact O-N 3.26Å; T683-T686 PolarHBondContact O-N 2.98Å; T683-E687 WeakPolarHBondContact O-CB 3.46Å; T683-E687 VanDerWaalsContact O-CG 3.23Å; T683-E687 WeakPolarHBondContact O-CG 3.33Å; T683-E687 PolarHBondContact O-N 3.18Å
684	H	87.2	Confident	85.5	Confident	76 Å²	76	66.5 Å²	66.5	35%	0.352	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-29.7	177.6	-57.8	176	0	0	0	112.5	F679 R681 S682 H688	F679-H684 HydrophobicContact CB-CB 4.28Å; F679-H684 HydrophobicContact CD1-CB 3.68Å; F679-H684 HydrophobicContact CE1-CB 4.43Å; F679-H684 HydrophobicContact CG-CB 4.23Å; R681-H684 PolarHBondContact O-N 3.34Å; S682-H684 VanDerWaalsContact C-N 3.32Å; S682-H684 PolarHBondContact O-N 3.36Å; H684-H688 VanDerWaalsContact O-CB 3.26Å; H684-H688 WeakPolarHBondContact O-CB 3.17Å; H684-H688 PolarHBondContact O-N 3.43Å; H684-H688 VanDerWaalsContact O-N 3.13Å
685	L	87.6	Confident	85.3	Confident	21 Å²	21	66.7 Å²	66.7	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-48.6	171.1	173.3	61.1	0	0	0	110.4	K671 C672 F679 R681 S682 T683 E687 H688 Q689	K671-L685 WeakPolarHBondContact O-CD2 3.44Å; C672-L685 HydrophobicContact CB-CD1 3.76Å; F679-L685 HydrophobicContact CB-CB 4.44Å; F679-L685 HydrophobicContact CD2-CB 4.05Å; F679-L685 HydrophobicContact CD2-CD1 4.01Å; F679-L685 HydrophobicContact CE2-CD1 4.19Å; F679-L685 HydrophobicContact CG-CB 4.4Å; R681-L685 PolarHBondContact O-N 3.47Å; S682-L685 WeakPolarHBondContact O-CB 3.39Å; S682-L685 PolarHBondContact O-N 3.15Å; S682-L685 VanDerWaalsContact O-N 3.09Å; T683-L685 VanDerWaalsContact C-N 3.3Å; T683-L685 PolarHBondContact O-N 3.26Å; L685-E687 PolarHBondContact O-N 3.31Å; L685-H688 CarbonylContact O-C 3.56Å; L685-H688 WeakPolarHBondContact O-CA 3.47Å; L685-H688 WeakPolarHBondContact O-CB 3.33Å; L685-H688 PolarHBondContact O-N 3.32Å; L685-Q689 HydrophobicContact CD1-CG 4Å; L685-Q689 HydrophobicContact CG-CG 4.33Å; L685-Q689 WeakPolarHBondContact O-CG 3.38Å; L685-Q689 PolarHBondContact O-N 3.2Å
686	T	84.5	Confident	85	Confident	75 Å²	75	70.7 Å²	70.7	46%	0.46	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-45.2	178.1	-53.2	0	0	0	0	112	S682 T683 H688 Q689 N690	S682-T686 PolarHBondContact O-N 3.5Å; S682-T686 PolarHBondContact O-OG1 3.39Å; T683-T686 PolarHBondContact O-N 2.98Å; T686-H688 PolarHBondContact O-N 2.87Å; T686-Q689 PolarHBondContact O-N 3.2Å; T686-Q689 VanDerWaalsContact O-N 3.16Å; T686-N690 VanDerWaalsContact O-CG 3.26Å; T686-N690 PolarHBondContact O-N 3.12Å; T686-N690 PolarHBondContact O-OD1 3.09Å; T686-N690 VanDerWaalsContact O-OD1 3.12Å
687	E	85.1	Confident	85	Confident	69 Å²	69	65.9 Å²	65.9	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-28.7	173.6	-71	162.6	-136.5	0	0	112.7	T683 L685 Q709	T683-E687 WeakPolarHBondContact O-CB 3.46Å; T683-E687 VanDerWaalsContact O-CG 3.23Å; T683-E687 WeakPolarHBondContact O-CG 3.33Å; T683-E687 PolarHBondContact O-N 3.18Å; L685-E687 PolarHBondContact O-N 3.31Å; E687-Q709 HydrophobicContact CG-CG 4.44Å; E687-Q709 PolarHBondContact OE2-NE2 3.07Å; E687-Q709 VanDerWaalsContact OE2-NE2 3.15Å
688	H	86.6	Confident	84.9	Confident	19 Å²	19	64.7 Å²	64.7	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-84	-37.8	174.5	172.1	41.7	0	0	0	113.2	C675 F679 H684 L685 T686 N690 T691 H692	C675-H688 PolarHBondContact SG-NE2 3.35Å; C675-H688 VanDerWaalsContact SG-NE2 3.35Å; F679-H688 HydrophobicContact CE1-CB 4.29Å; F679-H688 HydrophobicContact CE2-CB 4.17Å; F679-H688 AromaticContact CE2-CD2 3.32Å; F679-H688 WeakPolarHBondContact CE2-CD2 3.43Å; F679-H688 AromaticContact CE2-CG 3.99Å; F679-H688 HydrophobicContact CZ-CB 3.71Å; F679-H688 AromaticContact CZ-CD2 3.34Å; F679-H688 WeakPolarHBondContact CZ-CD2 3.34Å; F679-H688 AromaticContact CZ-CG 3.59Å; H684-H688 VanDerWaalsContact O-CB 3.26Å; H684-H688 WeakPolarHBondContact O-CB 3.17Å; H684-H688 PolarHBondContact O-N 3.43Å; H684-H688 VanDerWaalsContact O-N 3.13Å; L685-H688 CarbonylContact O-C 3.56Å; L685-H688 WeakPolarHBondContact O-CA 3.47Å; L685-H688 WeakPolarHBondContact O-CB 3.33Å; L685-H688 PolarHBondContact O-N 3.32Å; T686-H688 PolarHBondContact O-N 2.87Å; H688-N690 PolarHBondContact O-N 3.29Å; H688-T691 PolarHBondContact ND1-OG1 2.8Å; H688-T691 VanDerWaalsContact ND1-OG1 3.1Å; H688-T691 WeakPolarHBondContact O-CA 3.36Å; H688-T691 WeakPolarHBondContact O-CB 3.21Å; H688-T691 PolarHBondContact O-N 2.96Å; H688-T691 PolarHBondContact O-OG1 3.08Å; H688-H692 AromaticContact CE1-CD2 3.78Å; H688-H692 AromaticContact NE2-CD2 3.96Å
689	Q	84.8	Confident	84.7	Confident	58 Å²	58	67.9 Å²	67.9	27%	0.271	36%	0.361	S	S	.	.	H	α-helix	trans	-59.6	-37	173.7	-70.7	175.7	-73.8	0	0	111	L685 T686 T691 H692 T693	L685-Q689 HydrophobicContact CD1-CG 4Å; L685-Q689 HydrophobicContact CG-CG 4.33Å; L685-Q689 WeakPolarHBondContact O-CG 3.38Å; L685-Q689 PolarHBondContact O-N 3.2Å; T686-Q689 PolarHBondContact O-N 3.2Å; T686-Q689 VanDerWaalsContact O-N 3.16Å; Q689-T691 PolarHBondContact O-N 2.96Å; Q689-H692 PolarHBondContact O-N 3.36Å; Q689-T693 PolarHBondContact O-N 2.97Å; Q689-T693 PolarHBondContact O-OG1 3.13Å
690	N	85.6	Confident	84.7	Confident	18 Å²	18	65.8 Å²	65.8	10%	0.096	35%	0.353	C	S	.	.	H	α-helix	trans	-56	-20.8	169.8	-64.6	1.7	0	0	0	113.8	T686 H688 G694 E695 S708	T686-N690 VanDerWaalsContact O-CG 3.26Å; T686-N690 PolarHBondContact O-N 3.12Å; T686-N690 PolarHBondContact O-OD1 3.09Å; T686-N690 VanDerWaalsContact O-OD1 3.12Å; H688-N690 PolarHBondContact O-N 3.29Å; N690-G694 CarbonylContact O-C 3.57Å; N690-G694 WeakPolarHBondContact O-CA 3.42Å; N690-G694 PolarHBondContact O-N 2.94Å; N690-G694 VanDerWaalsContact O-N 3.16Å; N690-E695 PolarHBondContact O-N 3.1Å; N690-S708 PolarHBondContact ND2-O 2.95Å
691	T	83.1	Confident	84.5	Confident	91 Å²	91	70.3 Å²	70.3	56%	0.558	37%	0.373	S	S	*	.	H	α-helix	trans	-85.7	-17.5	175	70.1	0	0	0	0	113.8	H688 Q689	H688-T691 PolarHBondContact ND1-OG1 2.8Å; H688-T691 VanDerWaalsContact ND1-OG1 3.1Å; H688-T691 WeakPolarHBondContact O-CA 3.36Å; H688-T691 WeakPolarHBondContact O-CB 3.21Å; H688-T691 PolarHBondContact O-N 2.96Å; H688-T691 PolarHBondContact O-OG1 3.08Å; Q689-T691 PolarHBondContact O-N 2.96Å
692	H	83.1	Confident	84.4	Confident	96 Å²	96	71.8 Å²	71.8	44%	0.444	39%	0.385	S	S	.	.	H	α-helix	trans	-89.8	-48.2	171.5	-66.2	-61.4	0	0	0	111.2	E674 C675 H688 Q689 G694	E674-H692 WeakPolarHBondContact OE2-CB 3.5Å; E674-H692 IonicContact OE2-CD2 3.16Å; E674-H692 PolarHBondContact OE2-CD2 2.8Å; E674-H692 IonicContact OE2-CG 3.4Å; C675-H692 WeakPolarHBondContact CB-NE2 3.43Å; C675-H692 PolarHBondContact SG-NE2 3.3Å; H688-H692 AromaticContact CE1-CD2 3.78Å; H688-H692 AromaticContact NE2-CD2 3.96Å; Q689-H692 PolarHBondContact O-N 3.36Å; H692-G694 PolarHBondContact O-N 3.18Å
693	T	81	Confident	84.4	Confident	73 Å²	73	71.3 Å²	71.3	45%	0.448	38%	0.381	S	S	.	.	S	Bend	trans	-73	-17.1	178.2	62.2	0	0	0	0	113.3	Q689 E695	Q689-T693 PolarHBondContact O-N 2.97Å; Q689-T693 PolarHBondContact O-OG1 3.13Å; T693-E695 PolarHBondContact O-N 3.2Å; T693-E695 WeakPolarHBondContact OG1-CB 3.45Å; T693-E695 WeakPolarHBondContact OG1-CG 3.41Å; T693-E695 PolarHBondContact OG1-N 3.46Å
694	G	79.9	Confident	84.3	Confident	48 Å²	48	78.8 Å²	78.8	50%	0.495	40%	0.402	S	S	.	.			trans	72.1	6.4	-173	0	0	0	0	0	114	N690 H692	N690-G694 CarbonylContact O-C 3.57Å; N690-G694 WeakPolarHBondContact O-CA 3.42Å; N690-G694 PolarHBondContact O-N 2.94Å; N690-G694 VanDerWaalsContact O-N 3.16Å; H692-G694 PolarHBondContact O-N 3.18Å
695	E	80.3	Confident	84.2	Confident	111 Å²	111	81.3 Å²	81.3	52%	0.519	41%	0.412	S	S	.	.			trans	-60.5	136.5	-177.5	-79.6	-175.4	-160.4	0	0	112.6	N690 T693	N690-E695 PolarHBondContact O-N 3.1Å; T693-E695 PolarHBondContact O-N 3.2Å; T693-E695 WeakPolarHBondContact OG1-CB 3.45Å; T693-E695 WeakPolarHBondContact OG1-CG 3.41Å; T693-E695 PolarHBondContact OG1-N 3.46Å
696	K	83.7	Confident	84.1	Confident	118 Å²	118	83.6 Å²	83.6	51%	0.513	43%	0.427	S	S	.	.			trans	-129.5	74.6	179	-68.9	172.8	-175.5	174.5	0	109.9	Y698 T706 F707	K696-Y698 PolarHBondContact O-N 3.41Å; K696-Y698 VanDerWaalsContact O-N 3.09Å; K696-T706 WeakPolarHBondContact CD-OG1 3.22Å; K696-F707 CarbonylContact C-O 3.21Å; K696-F707 VanDerWaalsContact CA-O 3.27Å; K696-F707 WeakPolarHBondContact CA-O 3.46Å
697	P	83.2	Confident	84.1	Confident	69 Å²	69	82 Å²	82	45%	0.448	41%	0.413	S	S	.	.			trans	-66.8	-13.8	-168.6	-21.8	34.9	0	0	0	114.8
698	Y	85.3	Confident	84	Confident	94 Å²	94	80.3 Å²	80.3	37%	0.369	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	101.7	-172.2	-56.4	-73.9	0	0	0	110.5	K696 T706 F707 S710	K696-Y698 PolarHBondContact O-N 3.41Å; K696-Y698 VanDerWaalsContact O-N 3.09Å; Y698-T706 CarbonylContact O-C 3.51Å; Y698-T706 WeakPolarHBondContact O-CA 3.3Å; Y698-F707 WeakPolarHBondContact CD2-O 3.43Å; Y698-F707 PolarHBondContact N-O 2.73Å; Y698-F707 VanDerWaalsContact N-O 3.14Å; Y698-F707 PolarHBondContact O-N 3.43Å; Y698-S710 VanDerWaalsContact CD2-N 3.29Å
699	N	86.4	Confident	83.8	Confident	92 Å²	92	81.4 Å²	81.4	49%	0.492	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.5	179.3	61.8	-36.3	0	0	0	112.6	T706 L713	N699-T706 HydrophobicContact CB-CG2 4.18Å; N699-L713 WeakPolarHBondContact O-CD2 3.45Å
700	C	88	Confident	83.7	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	42%	0.419	C	S	.	.			trans	-84	118.8	166.3	174.6	0	0	0	0	109.5	E702 C703 R704 K705 F707 L713	C700-E702 VanDerWaalsContact C-N 3.27Å; C700-E702 PolarHBondContact O-N 3.3Å; C700-C703 VanDerWaalsContact SG-SG 3.61Å; C700-R704 WeakPolarHBondContact O-CA 3.48Å; C700-R704 PolarHBondContact O-N 2.93Å; C700-K705 WeakPolarHBondContact CB-O 3.39Å; C700-K705 PolarHBondContact N-O 3.03Å; C700-F707 HydrophobicContact CB-CE2 4.4Å; C700-L713 HydrophobicContact CB-CD1 3.68Å
701	N	82.7	Confident	83.6	Confident	133 Å²	133	83.9 Å²	83.9	71%	0.711	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.9	-178.4	-68	-17.2	0	0	0	112.9
702	E	83.9	Confident	83.7	Confident	127 Å²	127	85 Å²	85	59%	0.593	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-45.7	-174.6	-62.7	151.8	129.5	0	0	112.5	C700 H720	C700-E702 VanDerWaalsContact C-N 3.27Å; C700-E702 PolarHBondContact O-N 3.3Å; E702-H720 IonicContact OE2-CD2 3.15Å; E702-H720 PolarHBondContact OE2-CD2 2.87Å; E702-H720 IonicContact OE2-CG 3.64Å
703	C	86.3	Confident	83.9	Confident	48 Å²	48	81.4 Å²	81.4	32%	0.324	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	7.2	-175.4	80.5	0	0	0	0	114.6	C700 K705 H716	C700-C703 VanDerWaalsContact SG-SG 3.61Å; C703-K705 PolarHBondContact O-N 2.97Å; C703-H716 PolarHBondContact SG-NE2 3.42Å
704	R	81.7	Confident	83.9	Confident	219 Å²	219	82 Å²	82	83%	0.826	42%	0.415	S	S	*	.			trans	57.7	6.5	178.4	-58.4	-176.3	-177.6	176.1	1.3	116.5	C700	C700-R704 WeakPolarHBondContact O-CA 3.48Å; C700-R704 PolarHBondContact O-N 2.93Å
705	K	84.9	Confident	84.1	Confident	128 Å²	128	82.9 Å²	82.9	56%	0.557	41%	0.406	S	S	*	.			trans	-63.2	136.3	172.8	-70.1	-179.4	-178.9	-179.8	0	110.7	C700 C703 F707	C700-K705 WeakPolarHBondContact CB-O 3.39Å; C700-K705 PolarHBondContact N-O 3.03Å; C703-K705 PolarHBondContact O-N 2.97Å; K705-F707 HydrophobicContact CB-CE2 3.89Å; K705-F707 HydrophobicContact CB-CZ 3.96Å; K705-F707 WeakPolarHBondContact O-CE2 3.46Å
706	T	85.6	Confident	84.4	Confident	69 Å²	69	78.5 Å²	78.5	42%	0.423	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.9	-177.6	58.2	0	0	0	0	111.6	K696 Y698 N699	K696-T706 WeakPolarHBondContact CD-OG1 3.22Å; Y698-T706 CarbonylContact O-C 3.51Å; Y698-T706 WeakPolarHBondContact O-CA 3.3Å; N699-T706 HydrophobicContact CB-CG2 4.18Å
707	F	85.3	Confident	84.4	Confident	42 Å²	42	76.4 Å²	76.4	18%	0.184	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.2	-174.8	-58	-88.5	0	0	0	111	K696 Y698 C700 K705 Q709 L713 H716	K696-F707 CarbonylContact C-O 3.21Å; K696-F707 VanDerWaalsContact CA-O 3.27Å; K696-F707 WeakPolarHBondContact CA-O 3.46Å; Y698-F707 WeakPolarHBondContact CD2-O 3.43Å; Y698-F707 PolarHBondContact N-O 2.73Å; Y698-F707 VanDerWaalsContact N-O 3.14Å; Y698-F707 PolarHBondContact O-N 3.43Å; C700-F707 HydrophobicContact CB-CE2 4.4Å; K705-F707 HydrophobicContact CB-CE2 3.89Å; K705-F707 HydrophobicContact CB-CZ 3.96Å; K705-F707 WeakPolarHBondContact O-CE2 3.46Å; F707-Q709 VanDerWaalsContact C-N 3.34Å; F707-L713 HydrophobicContact CB-CB 4.41Å; F707-L713 HydrophobicContact CD2-CB 3.99Å; F707-L713 HydrophobicContact CD2-CD1 3.93Å; F707-L713 HydrophobicContact CE2-CD1 4.08Å; F707-L713 HydrophobicContact CG-CB 4.36Å; F707-H716 HydrophobicContact CE1-CB 4Å; F707-H716 HydrophobicContact CE2-CB 3.98Å; F707-H716 AromaticContact CE2-CD2 3.53Å; F707-H716 AromaticContact CE2-CG 3.79Å; F707-H716 HydrophobicContact CZ-CB 3.52Å; F707-H716 AromaticContact CZ-CD2 3.46Å; F707-H716 VanDerWaalsContact CZ-CD2 3.46Å; F707-H716 WeakPolarHBondContact CZ-CD2 3.49Å; F707-H716 AromaticContact CZ-CG 3.29Å; F707-H716 AromaticContact CZ-ND1 3.9Å
708	S	82.4	Confident	84.5	Confident	33 Å²	33	75.7 Å²	75.7	23%	0.231	37%	0.366	C	S	.	.	S	Bend	trans	-79.2	-15.2	177.4	50.8	0	0	0	0	113.8	N690	N690-S708 PolarHBondContact ND2-O 2.95Å
709	Q	82	Confident	84.4	Confident	43 Å²	43	74.6 Å²	74.6	20%	0.201	37%	0.366	C	S	.	.	S	Bend	trans	-133.5	143.5	176.3	-57.7	-172.1	-13.6	0	0	111.5	E687 F707 T711 Y712 L713	E687-Q709 HydrophobicContact CG-CG 4.44Å; E687-Q709 PolarHBondContact OE2-NE2 3.07Å; E687-Q709 VanDerWaalsContact OE2-NE2 3.15Å; F707-Q709 VanDerWaalsContact C-N 3.34Å; Q709-T711 VanDerWaalsContact C-N 3.29Å; Q709-T711 WeakPolarHBondContact CB-OG1 3.18Å; Q709-T711 PolarHBondContact O-N 2.83Å; Q709-T711 PolarHBondContact OE1-OG1 2.9Å; Q709-T711 VanDerWaalsContact OE1-OG1 3.13Å; Q709-Y712 HydrophobicContact CB-CD2 3.76Å; Q709-Y712 HydrophobicContact CB-CE2 4.09Å; Q709-Y712 HydrophobicContact CB-CG 4.24Å; Q709-Y712 HydrophobicContact CG-CD2 4.05Å; Q709-Y712 HydrophobicContact CG-CE2 3.9Å; Q709-Y712 PolarHBondContact O-N 3.31Å; Q709-L713 PolarHBondContact O-N 3.22Å
710	S	83.1	Confident	84.2	Confident	52 Å²	52	73.9 Å²	73.9	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-31.8	176.9	55.2	0	0	0	0	112.9	Y698 Y712 L713 I714	Y698-S710 VanDerWaalsContact CD2-N 3.29Å; S710-Y712 VanDerWaalsContact C-N 3.32Å; S710-Y712 PolarHBondContact O-N 2.99Å; S710-L713 PolarHBondContact O-N 3.08Å; S710-I714 WeakPolarHBondContact O-CG1 3.44Å; S710-I714 PolarHBondContact O-N 2.79Å
711	T	83.9	Confident	84	Confident	76 Å²	76	77 Å²	77	47%	0.466	38%	0.381	S	S	.	.	H	α-helix	trans	-56.6	-44	172.9	47.1	0	0	0	0	111.9	Q709 Q715	Q709-T711 VanDerWaalsContact C-N 3.29Å; Q709-T711 WeakPolarHBondContact CB-OG1 3.18Å; Q709-T711 PolarHBondContact O-N 2.83Å; Q709-T711 PolarHBondContact OE1-OG1 2.9Å; Q709-T711 VanDerWaalsContact OE1-OG1 3.13Å; T711-Q715 VanDerWaalsContact O-CB 3.23Å; T711-Q715 WeakPolarHBondContact O-CB 3.45Å; T711-Q715 PolarHBondContact O-N 3.25Å
712	Y	85.6	Confident	83.8	Confident	113 Å²	113	72.4 Å²	72.4	44%	0.443	37%	0.365	S	S	.	.	H	α-helix	trans	-71.2	-35.5	177.2	-59.3	-30.8	0	0	0	112.3	Q709 S710 Q715 H716	Q709-Y712 HydrophobicContact CB-CD2 3.76Å; Q709-Y712 HydrophobicContact CB-CE2 4.09Å; Q709-Y712 HydrophobicContact CB-CG 4.24Å; Q709-Y712 HydrophobicContact CG-CD2 4.05Å; Q709-Y712 HydrophobicContact CG-CE2 3.9Å; Q709-Y712 PolarHBondContact O-N 3.31Å; S710-Y712 VanDerWaalsContact C-N 3.32Å; S710-Y712 PolarHBondContact O-N 2.99Å; Y712-Q715 PolarHBondContact O-N 3.16Å; Y712-H716 WeakPolarHBondContact O-CB 3.3Å; Y712-H716 PolarHBondContact O-N 2.98Å
713	L	85.6	Confident	83.9	Confident	21 Å²	21	71.2 Å²	71.2	11%	0.11	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-49.5	171.6	173.1	59.7	0	0	0	111.3	N699 C700 F707 Q709 S710 Q715 H716 Q717	N699-L713 WeakPolarHBondContact O-CD2 3.45Å; C700-L713 HydrophobicContact CB-CD1 3.68Å; F707-L713 HydrophobicContact CB-CB 4.41Å; F707-L713 HydrophobicContact CD2-CB 3.99Å; F707-L713 HydrophobicContact CD2-CD1 3.93Å; F707-L713 HydrophobicContact CE2-CD1 4.08Å; F707-L713 HydrophobicContact CG-CB 4.36Å; Q709-L713 PolarHBondContact O-N 3.22Å; S710-L713 PolarHBondContact O-N 3.08Å; L713-Q715 VanDerWaalsContact C-N 3.32Å; L713-Q715 PolarHBondContact O-N 2.92Å; L713-H716 CarbonylContact O-C 3.46Å; L713-H716 WeakPolarHBondContact O-CA 3.12Å; L713-H716 WeakPolarHBondContact O-CB 2.97Å; L713-H716 PolarHBondContact O-N 2.62Å; L713-Q717 HydrophobicContact CD1-CG 4.08Å; L713-Q717 HydrophobicContact CG-CG 4.5Å; L713-Q717 WeakPolarHBondContact O-CG 3.37Å; L713-Q717 PolarHBondContact O-N 3.43Å
714	I	83.1	Confident	83.8	Confident	87 Å²	87	75 Å²	75	45%	0.446	37%	0.371	S	S	.	.	H	α-helix	trans	-61.8	-41.7	177.9	-66.3	163.6	0	0	0	110.7	S710 H716 Q717	S710-I714 WeakPolarHBondContact O-CG1 3.44Å; S710-I714 PolarHBondContact O-N 2.79Å; I714-H716 VanDerWaalsContact C-N 3.27Å; I714-H716 PolarHBondContact O-N 2.99Å; I714-Q717 PolarHBondContact O-N 2.91Å
715	Q	83.3	Confident	83.9	Confident	66 Å²	66	67.8 Å²	67.8	31%	0.308	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-34.1	174.5	-177.8	175.9	-6.6	0	0	112.4	T711 Y712 L713 Y737	T711-Q715 VanDerWaalsContact O-CB 3.23Å; T711-Q715 WeakPolarHBondContact O-CB 3.45Å; T711-Q715 PolarHBondContact O-N 3.25Å; Y712-Q715 PolarHBondContact O-N 3.16Å; L713-Q715 VanDerWaalsContact C-N 3.32Å; L713-Q715 PolarHBondContact O-N 2.92Å; Q715-Y737 HydrophobicContact CG-CD1 3.5Å; Q715-Y737 VanDerWaalsContact CG-CD1 3.5Å; Q715-Y737 HydrophobicContact CG-CE1 3.36Å
716	H	85.3	Confident	83.9	Confident	18 Å²	18	63.8 Å²	63.8	8%	0.083	34%	0.335	C	S	.	.	H	α-helix	trans	-75.8	-37.6	176.6	174.8	62.9	0	0	0	113.1	C703 F707 Y712 L713 I714 R718 I719 H720	C703-H716 PolarHBondContact SG-NE2 3.42Å; F707-H716 HydrophobicContact CE1-CB 4Å; F707-H716 HydrophobicContact CE2-CB 3.98Å; F707-H716 AromaticContact CE2-CD2 3.53Å; F707-H716 AromaticContact CE2-CG 3.79Å; F707-H716 HydrophobicContact CZ-CB 3.52Å; F707-H716 AromaticContact CZ-CD2 3.46Å; F707-H716 VanDerWaalsContact CZ-CD2 3.46Å; F707-H716 WeakPolarHBondContact CZ-CD2 3.49Å; F707-H716 AromaticContact CZ-CG 3.29Å; F707-H716 AromaticContact CZ-ND1 3.9Å; Y712-H716 WeakPolarHBondContact O-CB 3.3Å; Y712-H716 PolarHBondContact O-N 2.98Å; L713-H716 CarbonylContact O-C 3.46Å; L713-H716 WeakPolarHBondContact O-CA 3.12Å; L713-H716 WeakPolarHBondContact O-CB 2.97Å; L713-H716 PolarHBondContact O-N 2.62Å; I714-H716 VanDerWaalsContact C-N 3.27Å; I714-H716 PolarHBondContact O-N 2.99Å; H716-R718 PolarHBondContact O-N 3.16Å; H716-I719 WeakPolarHBondContact O-CA 3.2Å; H716-I719 WeakPolarHBondContact O-CB 3.49Å; H716-I719 VanDerWaalsContact O-CG1 3.3Å; H716-I719 WeakPolarHBondContact O-CG1 3.49Å; H716-I719 PolarHBondContact O-N 3.46Å; H716-H720 AromaticContact CD2-NE2 3.82Å; H716-H720 AromaticContact CE1-CE1 3.9Å; H716-H720 AromaticContact CE1-NE2 3.61Å; H716-H720 AromaticContact NE2-CE1 3.74Å; H716-H720 AromaticContact NE2-NE2 3.07Å; H716-H720 PolarHBondContact NE2-NE2 3.09Å
717	Q	84.5	Confident	83.9	Confident	74 Å²	74	62.1 Å²	62.1	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-31.4	178.1	-74.6	170.4	-60.8	0	0	112.3	L713 I714 I719 H720 S721	L713-Q717 HydrophobicContact CD1-CG 4.08Å; L713-Q717 HydrophobicContact CG-CG 4.5Å; L713-Q717 WeakPolarHBondContact O-CG 3.37Å; L713-Q717 PolarHBondContact O-N 3.43Å; I714-Q717 PolarHBondContact O-N 2.91Å; Q717-I719 PolarHBondContact O-N 2.68Å; Q717-I719 VanDerWaalsContact O-N 3.08Å; Q717-H720 PolarHBondContact O-N 2.86Å; Q717-S721 PolarHBondContact O-N 3.33Å
718	R	86.3	Confident	84	Confident	54 Å²	54	60.2 Å²	60.2	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-12.7	170.9	-60.6	-175.2	-177.3	140.4	8.1	114.8	H716 G722 E723 R736	H716-R718 PolarHBondContact O-N 3.16Å; R718-G722 CarbonylContact O-C 3.29Å; R718-G722 PolarHBondContact O-N 3.5Å; R718-E723 HydrophobicContact CB-CB 4.16Å; R718-E723 HydrophobicContact CG-CB 3.97Å; R718-E723 IonicContact NE-OE2 3.59Å; R718-R736 HydrophobicContact CB-CG 3.81Å; R718-R736 PolarHBondContact O-NE 3.22Å; R718-R736 PolarHBondContact O-NH2 3.28Å
719	I	82.8	Confident	84	Confident	71 Å²	71	65.9 Å²	65.9	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-69.5	-44.4	170.1	-57.6	-174.9	0	0	0	109.9	H716 Q717 R736	H716-I719 WeakPolarHBondContact O-CA 3.2Å; H716-I719 WeakPolarHBondContact O-CB 3.49Å; H716-I719 VanDerWaalsContact O-CG1 3.3Å; H716-I719 WeakPolarHBondContact O-CG1 3.49Å; H716-I719 PolarHBondContact O-N 3.46Å; Q717-I719 PolarHBondContact O-N 2.68Å; Q717-I719 VanDerWaalsContact O-N 3.08Å; I719-R736 PolarHBondContact O-NH2 3.46Å
720	H	82.9	Confident	83.9	Confident	78 Å²	78	67.9 Å²	67.9	36%	0.361	36%	0.363	S	S	.	.	H	α-helix	trans	-78.5	-46.2	-179.7	-48	-51.5	0	0	0	111.8	E702 H716 Q717 G722	E702-H720 IonicContact OE2-CD2 3.15Å; E702-H720 PolarHBondContact OE2-CD2 2.87Å; E702-H720 IonicContact OE2-CG 3.64Å; H716-H720 AromaticContact CD2-NE2 3.82Å; H716-H720 AromaticContact CE1-CE1 3.9Å; H716-H720 AromaticContact CE1-NE2 3.61Å; H716-H720 AromaticContact NE2-CE1 3.74Å; H716-H720 AromaticContact NE2-NE2 3.07Å; H716-H720 PolarHBondContact NE2-NE2 3.09Å; Q717-H720 PolarHBondContact O-N 2.86Å; H720-G722 PolarHBondContact O-N 3.31Å
721	S	82.4	Confident	84	Confident	65 Å²	65	67.8 Å²	67.8	46%	0.455	36%	0.361	S	S	.	.	S	Bend	trans	-74.4	-2.8	178	71.9	0	0	0	0	114.7	Q717 E723	Q717-S721 PolarHBondContact O-N 3.33Å; S721-E723 PolarHBondContact O-N 3.1Å; S721-E723 WeakPolarHBondContact OG-CG 3.44Å
722	G	79.8	Confident	83.8	Confident	37 Å²	37	67 Å²	67	38%	0.381	37%	0.368	S	S	.	.			trans	71.5	-14.5	-179.4	0	0	0	0	0	115.9	R718 H720	R718-G722 CarbonylContact O-C 3.29Å; R718-G722 PolarHBondContact O-N 3.5Å; H720-G722 PolarHBondContact O-N 3.31Å
723	E	84.1	Confident	83.9	Confident	101 Å²	101	67.3 Å²	67.3	47%	0.472	37%	0.372	S	S	.	.			trans	-46.1	134.6	-170.4	-82	178	-157.7	0	0	115.6	R718 S721	R718-E723 HydrophobicContact CB-CB 4.16Å; R718-E723 HydrophobicContact CG-CB 3.97Å; R718-E723 IonicContact NE-OE2 3.59Å; S721-E723 PolarHBondContact O-N 3.1Å; S721-E723 WeakPolarHBondContact OG-CG 3.44Å
724	K	85.4	Confident	83.9	Confident	129 Å²	129	69.2 Å²	69.2	56%	0.561	39%	0.387	S	S	*	.			trans	-127.7	70.1	174.1	-56.4	-175.5	-164.2	170.7	0	110.8	F726 S734 F735	K724-F726 PolarHBondContact O-N 3Å; K724-F726 VanDerWaalsContact O-N 3.12Å; K724-S734 VanDerWaalsContact CD-O 3.3Å; K724-S734 WeakPolarHBondContact CD-O 3.35Å; K724-S734 WeakPolarHBondContact O-CB 3.34Å; K724-F735 CarbonylContact C-O 3.58Å; K724-F735 VanDerWaalsContact C-O 3.24Å; K724-F735 WeakPolarHBondContact CA-O 3.27Å
725	P	84.2	Confident	84	Confident	67 Å²	67	67.3 Å²	67.3	44%	0.435	38%	0.376	S	S	.	.			trans	-77.5	5.5	-168.8	33.1	-36.8	0	0	0	114.7
726	F	84.8	Confident	84	Confident	44 Å²	44	67.6 Å²	67.6	19%	0.193	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	84.1	-179.6	-56.1	-65.6	0	0	0	110.5	K724 F735 Y737 R738 L741	K724-F726 PolarHBondContact O-N 3Å; K724-F726 VanDerWaalsContact O-N 3.12Å; F726-F735 HydrophobicContact CB-CB 4.45Å; F726-F735 WeakPolarHBondContact CB-O 3.33Å; F726-F735 PolarHBondContact N-O 3.09Å; F726-F735 VanDerWaalsContact N-O 3.16Å; F726-F735 PolarHBondContact O-N 3.3Å; F726-Y737 VanDerWaalsContact CD2-C 3.45Å; F726-R738 HydrophobicContact CD1-CB 3.93Å; F726-R738 HydrophobicContact CD1-CG 4.05Å; F726-R738 HydrophobicContact CD2-CB 4.09Å; F726-R738 VanDerWaalsContact CD2-N 3.27Å; F726-R738 HydrophobicContact CE1-CB 3.89Å; F726-R738 HydrophobicContact CE1-CG 4.25Å; F726-R738 HydrophobicContact CE2-CB 4.03Å; F726-R738 HydrophobicContact CG-CB 4.03Å; F726-R738 HydrophobicContact CG-CG 4.41Å; F726-R738 HydrophobicContact CZ-CB 3.93Å; F726-L741 HydrophobicContact CB-CB 4.17Å; F726-L741 HydrophobicContact CB-CD2 3.9Å
727	G	84.3	Confident	83.9	Confident	33 Å²	33	70.1 Å²	70.1	34%	0.34	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	144	170.6	0	0	0	0	0	112.3	L741	G727-L741 WeakPolarHBondContact O-CD2 3.32Å
728	C	87.9	Confident	83.8	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.02	39%	0.394	C	S	.	.			trans	-89	118.8	163.9	-168.8	0	0	0	0	108.8	D730 G732 K733 F735 L741	C728-D730 PolarHBondContact O-N 3.43Å; C728-D730 PolarHBondContact SG-OD2 2.95Å; C728-G732 VanDerWaalsContact O-CA 3.27Å; C728-G732 WeakPolarHBondContact O-CA 3.24Å; C728-G732 PolarHBondContact O-N 3.22Å; C728-K733 WeakPolarHBondContact CB-O 3.48Å; C728-K733 PolarHBondContact N-O 3.24Å; C728-F735 HydrophobicContact CB-CE2 4.31Å; C728-L741 HydrophobicContact CB-CD1 3.55Å
729	N	82.4	Confident	83.7	Confident	151 Å²	151	74.8 Å²	74.8	81%	0.807	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.8	-179.7	-64.5	0.7	0	0	0	111.5	C731	N729-C731 VanDerWaalsContact C-N 3.34Å; N729-C731 PolarHBondContact O-N 3.29Å
730	D	80.4	Confident	83.8	Confident	86 Å²	86	73 Å²	73	46%	0.46	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-15.1	-166.8	-37.6	-62.6	0	0	0	112.7	C728 Q745 H748	C728-D730 PolarHBondContact O-N 3.43Å; C728-D730 PolarHBondContact SG-OD2 2.95Å; D730-Q745 PolarHBondContact OD2-NE2 2.93Å; D730-Q745 VanDerWaalsContact OD2-NE2 3.15Å; D730-H748 IonicContact OD2-CD2 3.65Å
731	C	85	Confident	83.9	Confident	49 Å²	49	69.5 Å²	69.5	33%	0.331	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	12.7	-179.9	66.3	0	0	0	0	115.5	N729 K733 H744 H748	N729-C731 VanDerWaalsContact C-N 3.34Å; N729-C731 PolarHBondContact O-N 3.29Å; C731-K733 PolarHBondContact O-N 3.22Å; C731-H744 PolarHBondContact SG-NE2 3.4Å; C731-H748 VanDerWaalsContact CB-NE2 3.25Å; C731-H748 WeakPolarHBondContact CB-NE2 3.19Å; C731-H748 PolarHBondContact SG-NE2 2.87Å
732	G	80.8	Confident	84	Confident	59 Å²	59	70.2 Å²	70.2	61%	0.608	39%	0.388	S	S	*	.			trans	68.3	-4.5	178.6	0	0	0	0	0	116.6	C728 S734	C728-G732 VanDerWaalsContact O-CA 3.27Å; C728-G732 WeakPolarHBondContact O-CA 3.24Å; C728-G732 PolarHBondContact O-N 3.22Å; G732-S734 PolarHBondContact O-N 2.88Å
733	K	86.1	Confident	84.3	Confident	121 Å²	121	75.8 Å²	75.8	53%	0.526	40%	0.402	S	S	.	.			trans	-69.8	121.3	-175.5	-70.9	176	-177.1	169.5	0	111.4	C728 C731 F735	C728-K733 WeakPolarHBondContact CB-O 3.48Å; C728-K733 PolarHBondContact N-O 3.24Å; C731-K733 PolarHBondContact O-N 3.22Å; K733-F735 HydrophobicContact CB-CE2 3.76Å; K733-F735 HydrophobicContact CB-CZ 4.03Å; K733-F735 VanDerWaalsContact O-CD2 3.26Å; K733-F735 WeakPolarHBondContact O-CD2 3.38Å; K733-F735 WeakPolarHBondContact O-CE2 3.47Å
734	S	86.2	Confident	84.3	Confident	61 Å²	61	72.3 Å²	72.3	43%	0.427	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.9	-179.3	-67.9	0	0	0	0	113.5	K724 G732	K724-S734 VanDerWaalsContact CD-O 3.3Å; K724-S734 WeakPolarHBondContact CD-O 3.35Å; K724-S734 WeakPolarHBondContact O-CB 3.34Å; G732-S734 PolarHBondContact O-N 2.88Å
735	F	85.5	Confident	84.2	Confident	47 Å²	47	69.4 Å²	69.4	21%	0.206	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.2	-175.3	-62.6	-90.3	0	0	0	112.6	K724 F726 C728 K733 A740 L741 H744	K724-F735 CarbonylContact C-O 3.58Å; K724-F735 VanDerWaalsContact C-O 3.24Å; K724-F735 WeakPolarHBondContact CA-O 3.27Å; F726-F735 HydrophobicContact CB-CB 4.45Å; F726-F735 WeakPolarHBondContact CB-O 3.33Å; F726-F735 PolarHBondContact N-O 3.09Å; F726-F735 VanDerWaalsContact N-O 3.16Å; F726-F735 PolarHBondContact O-N 3.3Å; C728-F735 HydrophobicContact CB-CE2 4.31Å; K733-F735 HydrophobicContact CB-CE2 3.76Å; K733-F735 HydrophobicContact CB-CZ 4.03Å; K733-F735 VanDerWaalsContact O-CD2 3.26Å; K733-F735 WeakPolarHBondContact O-CD2 3.38Å; K733-F735 WeakPolarHBondContact O-CE2 3.47Å; F735-A740 HydrophobicContact CB-CB 4.3Å; F735-A740 HydrophobicContact CD1-CB 3.94Å; F735-A740 HydrophobicContact CG-CB 4.41Å; F735-L741 HydrophobicContact CB-CB 4.3Å; F735-L741 HydrophobicContact CD2-CB 4.09Å; F735-L741 HydrophobicContact CD2-CD1 3.94Å; F735-L741 HydrophobicContact CE2-CD1 4.23Å; F735-L741 HydrophobicContact CG-CB 4.34Å; F735-H744 HydrophobicContact CE1-CB 4.09Å; F735-H744 HydrophobicContact CE2-CB 3.97Å; F735-H744 AromaticContact CE2-CD2 3.34Å; F735-H744 WeakPolarHBondContact CE2-CD2 3.5Å; F735-H744 AromaticContact CE2-CG 3.84Å; F735-H744 HydrophobicContact CZ-CB 3.56Å; F735-H744 AromaticContact CZ-CD2 3.28Å; F735-H744 WeakPolarHBondContact CZ-CD2 3.45Å; F735-H744 AromaticContact CZ-CG 3.39Å
736	R	83.1	Confident	84.1	Confident	71 Å²	71	76.4 Å²	76.4	27%	0.268	39%	0.391	S	S	.	.	S	Bend	trans	-71.6	-29	176.2	-172.3	176.6	-80	159.4	-13.2	113.2	R718 I719	R718-R736 HydrophobicContact CB-CG 3.81Å; R718-R736 PolarHBondContact O-NE 3.22Å; R718-R736 PolarHBondContact O-NH2 3.28Å; I719-R736 PolarHBondContact O-NH2 3.46Å
737	Y	82.5	Confident	83.9	Confident	72 Å²	72	80.4 Å²	80.4	28%	0.282	41%	0.414	S	S	.	.	S	Bend	trans	-127.7	136.1	-175.2	-46.4	-41.9	0	0	0	110.9	Q715 F726 S739 A740 L741	Q715-Y737 HydrophobicContact CG-CD1 3.5Å; Q715-Y737 VanDerWaalsContact CG-CD1 3.5Å; Q715-Y737 HydrophobicContact CG-CE1 3.36Å; F726-Y737 VanDerWaalsContact CD2-C 3.45Å; Y737-S739 PolarHBondContact O-N 2.95Å; Y737-A740 WeakPolarHBondContact O-CB 3.3Å; Y737-A740 PolarHBondContact O-N 3.36Å; Y737-L741 PolarHBondContact O-N 3.28Å; Y737-L741 VanDerWaalsContact O-N 3.16Å
738	R	82.9	Confident	83.7	Confident	149 Å²	149	82.3 Å²	82.3	56%	0.562	41%	0.414	S	S	*	.	H	α-helix	trans	-66.8	-26.9	178.4	-161.2	167.6	-173.9	118.6	3.5	112.7	F726 A740 L741 N742	F726-R738 HydrophobicContact CD1-CB 3.93Å; F726-R738 HydrophobicContact CD1-CG 4.05Å; F726-R738 HydrophobicContact CD2-CB 4.09Å; F726-R738 VanDerWaalsContact CD2-N 3.27Å; F726-R738 HydrophobicContact CE1-CB 3.89Å; F726-R738 HydrophobicContact CE1-CG 4.25Å; F726-R738 HydrophobicContact CE2-CB 4.03Å; F726-R738 HydrophobicContact CG-CB 4.03Å; F726-R738 HydrophobicContact CG-CG 4.41Å; F726-R738 HydrophobicContact CZ-CB 3.93Å; R738-A740 VanDerWaalsContact C-N 3.28Å; R738-A740 PolarHBondContact O-N 3.32Å; R738-L741 PolarHBondContact O-N 2.82Å; R738-N742 WeakPolarHBondContact O-CB 3.28Å; R738-N742 VanDerWaalsContact O-CG 3.22Å; R738-N742 PolarHBondContact O-N 3.31Å; R738-N742 PolarHBondContact O-OD1 2.92Å
739	S	84.1	Confident	82.6	Confident	76 Å²	76	88.4 Å²	88.4	53%	0.531	45%	0.453	S	S	.	.	H	α-helix	trans	-65.1	-28.4	169.8	52.2	0	0	0	0	113.5	Y737 K743	Y737-S739 PolarHBondContact O-N 2.95Å; S739-K743 WeakPolarHBondContact O-CB 3.31Å; S739-K743 WeakPolarHBondContact O-CG 3.5Å; S739-K743 PolarHBondContact O-N 3.47Å
740	A	84.1	Confident	81.6	Confident	33 Å²	33	84.7 Å²	84.7	27%	0.273	45%	0.451	S	S	.	.	H	α-helix	trans	-77	-41.3	173.2	0	0	0	0	0	111.2	F735 Y737 R738 K743 H744	F735-A740 HydrophobicContact CB-CB 4.3Å; F735-A740 HydrophobicContact CD1-CB 3.94Å; F735-A740 HydrophobicContact CG-CB 4.41Å; Y737-A740 WeakPolarHBondContact O-CB 3.3Å; Y737-A740 PolarHBondContact O-N 3.36Å; R738-A740 VanDerWaalsContact C-N 3.28Å; R738-A740 PolarHBondContact O-N 3.32Å; A740-K743 PolarHBondContact O-N 3.06Å; A740-H744 WeakPolarHBondContact O-CB 3.47Å; A740-H744 PolarHBondContact O-N 3.23Å
741	L	86.1	Confident	79.9	Confident	6 Å²	6	91.8 Å²	91.8	3%	0.031	49%	0.487	C	S	.	.	H	α-helix	trans	-57.3	-52.8	170.2	173.9	62	0	0	0	111.1	F726 G727 C728 F735 Y737 R738 K743 H744 Q745	F726-L741 HydrophobicContact CB-CB 4.17Å; F726-L741 HydrophobicContact CB-CD2 3.9Å; G727-L741 WeakPolarHBondContact O-CD2 3.32Å; C728-L741 HydrophobicContact CB-CD1 3.55Å; F735-L741 HydrophobicContact CB-CB 4.3Å; F735-L741 HydrophobicContact CD2-CB 4.09Å; F735-L741 HydrophobicContact CD2-CD1 3.94Å; F735-L741 HydrophobicContact CE2-CD1 4.23Å; F735-L741 HydrophobicContact CG-CB 4.34Å; Y737-L741 PolarHBondContact O-N 3.28Å; Y737-L741 VanDerWaalsContact O-N 3.16Å; R738-L741 PolarHBondContact O-N 2.82Å; L741-K743 PolarHBondContact O-N 2.78Å; L741-H744 CarbonylContact O-C 3.16Å; L741-H744 WeakPolarHBondContact O-CA 3.48Å; L741-H744 WeakPolarHBondContact O-CB 3.42Å; L741-H744 PolarHBondContact O-N 3Å; L741-Q745 HydrophobicContact CD1-CG 3.81Å; L741-Q745 HydrophobicContact CG-CG 4.3Å; L741-Q745 PolarHBondContact O-N 3.32Å
742	N	85.4	Confident	79.6	Confident	80 Å²	80	94 Å²	94	43%	0.428	50%	0.495	S	S	.	.	H	α-helix	trans	-59.6	-32.5	179.2	-69.1	20.6	0	0	0	112.8	R738 R746	R738-N742 WeakPolarHBondContact O-CB 3.28Å; R738-N742 VanDerWaalsContact O-CG 3.22Å; R738-N742 PolarHBondContact O-N 3.31Å; R738-N742 PolarHBondContact O-OD1 2.92Å; N742-R746 WeakPolarHBondContact O-CG 3.45Å
743	K	84.9	Confident	79.5	Confident	154 Å²	154	95.8 Å²	95.8	67%	0.67	49%	0.489	S	S	*	.	H	α-helix	trans	-71.5	-36.9	172.3	-82.7	-174.9	175.1	-168.2	0	112.1	S739 A740 L741	S739-K743 WeakPolarHBondContact O-CB 3.31Å; S739-K743 WeakPolarHBondContact O-CG 3.5Å; S739-K743 PolarHBondContact O-N 3.47Å; A740-K743 PolarHBondContact O-N 3.06Å; L741-K743 PolarHBondContact O-N 2.78Å
744	H	84.1	Confident	79.2	Confident	28 Å²	28	94.4 Å²	94.4	13%	0.13	49%	0.486	C	S	.	.	H	α-helix	trans	-70.6	-41.8	177.9	179.7	46.2	0	0	0	112.5	C731 F735 A740 L741 R746 L747 H748	C731-H744 PolarHBondContact SG-NE2 3.4Å; F735-H744 HydrophobicContact CE1-CB 4.09Å; F735-H744 HydrophobicContact CE2-CB 3.97Å; F735-H744 AromaticContact CE2-CD2 3.34Å; F735-H744 WeakPolarHBondContact CE2-CD2 3.5Å; F735-H744 AromaticContact CE2-CG 3.84Å; F735-H744 HydrophobicContact CZ-CB 3.56Å; F735-H744 AromaticContact CZ-CD2 3.28Å; F735-H744 WeakPolarHBondContact CZ-CD2 3.45Å; F735-H744 AromaticContact CZ-CG 3.39Å; A740-H744 WeakPolarHBondContact O-CB 3.47Å; A740-H744 PolarHBondContact O-N 3.23Å; L741-H744 CarbonylContact O-C 3.16Å; L741-H744 WeakPolarHBondContact O-CA 3.48Å; L741-H744 WeakPolarHBondContact O-CB 3.42Å; L741-H744 PolarHBondContact O-N 3Å; H744-R746 PolarHBondContact O-N 3.04Å; H744-L747 WeakPolarHBondContact O-CA 3.5Å; H744-L747 VanDerWaalsContact O-CB 3.29Å; H744-L747 WeakPolarHBondContact O-CB 3.13Å; H744-L747 PolarHBondContact O-N 3.12Å; H744-H748 AromaticContact CE1-NE2 3.7Å; H744-H748 AromaticContact NE2-NE2 3.56Å
745	Q	82.9	Confident	78.8	Confident	67 Å²	67	96.4 Å²	96.4	31%	0.313	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-30.5	178.7	-69.9	-174.7	-70.9	0	0	112.6	D730 L741 L747 H748	D730-Q745 PolarHBondContact OD2-NE2 2.93Å; D730-Q745 VanDerWaalsContact OD2-NE2 3.15Å; L741-Q745 HydrophobicContact CD1-CG 3.81Å; L741-Q745 HydrophobicContact CG-CG 4.3Å; L741-Q745 PolarHBondContact O-N 3.32Å; Q745-L747 PolarHBondContact O-N 3.15Å; Q745-L747 VanDerWaalsContact O-N 3.13Å; Q745-H748 WeakPolarHBondContact O-CB 3.36Å; Q745-H748 PolarHBondContact O-N 2.74Å
746	R	82.9	Confident	78.3	Confident	214 Å²	214	99.4 Å²	99.4	81%	0.808	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.8	170.4	-69.3	172.1	-179.3	-161.3	-2.4	114.7	N742 H744	N742-R746 WeakPolarHBondContact O-CG 3.45Å; H744-R746 PolarHBondContact O-N 3.04Å
747	L	80.1	Confident	78	Confident	129 Å²	129	101.3 Å²	101.3	68%	0.675	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-1.7	173.3	-55	174	0	0	0	112.2	H744 Q745	H744-L747 WeakPolarHBondContact O-CA 3.5Å; H744-L747 VanDerWaalsContact O-CB 3.29Å; H744-L747 WeakPolarHBondContact O-CB 3.13Å; H744-L747 PolarHBondContact O-N 3.12Å; Q745-L747 PolarHBondContact O-N 3.15Å; Q745-L747 VanDerWaalsContact O-N 3.13Å
748	H	79.7	Confident	77.7	Confident	72 Å²	72	103.4 Å²	103.4	33%	0.333	54%	0.541	S	S	.	.	S	Bend	trans	-82.9	122.5	165.1	-63.9	-47.2	0	0	0	108.3	D730 C731 H744 Q745 G750	D730-H748 IonicContact OD2-CD2 3.65Å; C731-H748 VanDerWaalsContact CB-NE2 3.25Å; C731-H748 WeakPolarHBondContact CB-NE2 3.19Å; C731-H748 PolarHBondContact SG-NE2 2.87Å; H744-H748 AromaticContact CE1-NE2 3.7Å; H744-H748 AromaticContact NE2-NE2 3.56Å; Q745-H748 WeakPolarHBondContact O-CB 3.36Å; Q745-H748 PolarHBondContact O-N 2.74Å; H748-G750 PolarHBondContact O-N 3.11Å
749	P	65.2	Low	77.3	Confident	131 Å²	131	99.9 Å²	99.9	85%	0.851	54%	0.539	S	S	*	.	S	Bend	trans	-72.8	114.5	-179.3	-15.5	30.2	0	0	0	111.2
750	G	60.7	Low	76.7	Confident	74 Å²	74	101.9 Å²	101.9	76%	0.763	54%	0.54	S	S	*	.			trans	87.8	80.1	163.1	0	0	0	0	0	116.9	H748	H748-G750 PolarHBondContact O-N 3.11Å
751	I	44.9	Very low	76.1	Confident	235 Å²	235	108.2 Å²	108.2	100%	1.205	56%	0.564	S	S	*	*			trans	-131.7	0	134.8	-55.7	-178	0	0	0	106.7

Retrieved 751 of 751 residues in 328.7 ms (Link to these results)

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