A0A087XCI8_POEFO Loading...

Zinc finger protein 653

Transcriptional repressor. May repress NR5A1, PPARG, NR1H3, NR4A2, ESR1 and NR3C1 transcriptional activity.

AlphaFold DB , UniProt , Accession A0A087XCI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 614 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	37.3	Very low	38.4	Very low	246 Å²	246	137.5 Å²	137.5	100%	1.212	82%	0.819	S	S	*	*				0	122.3	0	-60.9	163	-179.7	0	0	105.8
2	A	34.2	Very low	38.3	Very low	90 Å²	90	132.6 Å²	132.6	74%	0.744	81%	0.805	S	S	*	*			cis	-151	166	5.6	0	0	0	0	0	107.6
3	H	34.9	Very low	38.1	Very low	182 Å²	182	132.7 Å²	132.7	84%	0.843	80%	0.798	S	S	*	*			cis	-158.3	166.5	-23.3	-119.3	-91.9	0	0	0	106.4
4	C	37.5	Very low	37.9	Very low	117 Å²	117	139 Å²	139	79%	0.791	80%	0.801	S	S	*	*			trans	-83.1	-167.9	173.4	-39	0	0	0	0	110.9
5	P	58.4	Low	37.8	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	81%	0.806	S	S	*	*			cis	-112.2	170.4	16.7	11	16.1	0	0	0	113.3
6	A	40.8	Very low	37.5	Very low	82 Å²	82	132.9 Å²	132.9	68%	0.678	80%	0.804	S	S	*	*			cis	81.5	124.3	41.8	0	0	0	0	0	115.3
7	D	31.8	Very low	37.3	Very low	159 Å²	159	132.2 Å²	132.2	85%	0.85	79%	0.794	S	S	*	*				174.4	156.1	125.5	-86.2	-13.5	0	0	0	114.7
8	C	29.3	Very low	37.4	Very low	123 Å²	123	137.4 Å²	137.4	83%	0.831	80%	0.798	S	S	*	*			trans	-163.6	152.7	177	-85.9	0	0	0	0	106.2
9	P	48.7	Very low	37.3	Very low	115 Å²	115	134.1 Å²	134.1	75%	0.747	80%	0.796	S	S	*	*				-159.5	-159.3	59.2	43.8	-21.2	0	0	0	116.9
10	S	34.4	Very low	37.2	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	80%	0.801	S	S	*	*			trans	76.1	146.8	153.8	73.9	0	0	0	0	120
11	E	35.2	Very low	37.6	Very low	177 Å²	177	133.6 Å²	133.6	83%	0.827	80%	0.797	S	S	*	*			cis	-170.1	174.7	-26.1	-115.3	-56.3	139.1	0	0	109
12	A	36.8	Very low	37.9	Very low	79 Å²	79	131.6 Å²	131.6	65%	0.653	78%	0.781	S	S	*	*			trans	69	90.5	159.6	0	0	0	0	0	122.1
13	D	35.4	Very low	38.1	Very low	134 Å²	134	139.1 Å²	139.1	72%	0.717	79%	0.791	S	S	*	*				55.7	110	120	-162.9	37.6	0	0	0	122.3
14	R	36	Very low	38.3	Very low	221 Å²	221	136.4 Å²	136.4	83%	0.834	79%	0.791	S	S	*	*				177.7	139.5	103.3	-92.5	-176.9	-175.7	-173.6	-0.5	116.7
15	A	35.9	Very low	38.6	Very low	106 Å²	106	142.9 Å²	142.9	88%	0.876	80%	0.799	S	S	*	*			trans	36.9	124.1	149.7	0	0	0	0	0	122.5
16	G	33.8	Very low	37.7	Very low	75 Å²	75	141 Å²	141	77%	0.773	80%	0.801	S	S	*	*			trans	142	75.7	169.1	0	0	0	0	0	112
17	D	33.3	Very low	37.9	Very low	120 Å²	120	148.4 Å²	148.4	64%	0.642	81%	0.811	S	S	*	*				82.1	137.7	98	-170.5	27.9	0	0	0	114.9
18	R	39.6	Very low	38.7	Very low	226 Å²	226	146.4 Å²	146.4	85%	0.853	81%	0.807	S	S	*	*			trans	47.6	106.6	171.5	-87.5	166.3	-88.3	-149.3	-3.1	119.7
19	G	35.6	Very low	39.8	Very low	75 Å²	75	152.5 Å²	152.5	77%	0.773	81%	0.812	S	S	*	*			trans	126.9	67.4	142.2	0	0	0	0	0	118.5
20	V	35	Very low	40.4	Very low	147 Å²	147	150.7 Å²	150.7	89%	0.891	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72.2	127.1	176.7	178.2	0	0	0	0	112.3
21	P	45.4	Very low	42	Very low	110 Å²	110	149.6 Å²	149.6	71%	0.714	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-82	166.5	178.4	33	-35.8	0	0	0	114.2	R23	P21-R23 PolarHBondContact O-N 3.08Å
22	K	44.5	Very low	43	Very low	204 Å²	204	145.9 Å²	145.9	89%	0.887	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59	126.3	-174	-60.1	168.2	-176.7	170.3	0	113.1
23	R	37.7	Very low	43.6	Very low	248 Å²	248	146.2 Å²	146.2	94%	0.936	77%	0.768	S	S	*	*			trans	-98.3	113.5	161.7	-78	-166.4	177.7	-151.2	1.5	111.5	P21	P21-R23 PolarHBondContact O-N 3.08Å
24	C	39.1	Very low	44.7	Very low	126 Å²	126	142.8 Å²	142.8	85%	0.851	75%	0.749	S	S	*	*			trans	-80.2	120.8	170.6	-64.3	0	0	0	0	110.8	G26	C24-G26 PolarHBondContact O-N 2.67Å
25	R	45	Very low	45.9	Very low	253 Å²	253	137.4 Å²	137.4	96%	0.955	73%	0.729	S	S	*	*			trans	-83.4	105.7	164.1	-73	-167.8	179.5	-153.2	1.7	109.2
26	G	39.4	Very low	46.4	Very low	76 Å²	76	134.9 Å²	134.9	78%	0.784	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-68.4	130	176.8	0	0	0	0	0	112.3	C24	C24-G26 PolarHBondContact O-N 2.67Å
27	R	43.7	Very low	47.2	Very low	237 Å²	237	137 Å²	137	89%	0.894	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-80.4	152.8	160	-115.7	-176.3	174.8	-173.4	-1.2	109.2	R29	R27-R29 PolarHBondContact O-N 3.02Å
28	P	49.4	Very low	48.3	Very low	117 Å²	117	137.4 Å²	137.4	76%	0.76	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-54.3	139.8	178.5	-26.9	35.6	0	0	0	112.6	L30	P28-L30 PolarHBondContact O-N 3.07Å
29	R	51.3	Low	48.9	Very low	250 Å²	250	134.1 Å²	134.1	94%	0.943	68%	0.678	S	S	*	*			trans	-71.2	99	171.9	-78.8	-172	174.2	-174.6	-0.3	109	R27	R27-R29 PolarHBondContact O-N 3.02Å
30	L	62	Low	49.5	Very low	78 Å²	78	135.4 Å²	135.4	41%	0.408	67%	0.667	S	S	.	*			trans	-51.8	145.5	166.2	-71.9	170.1	0	0	0	110.9	P28 D34	P28-L30 PolarHBondContact O-N 3.07Å; L30-D34 HydrophobicContact CB-CB 4Å; L30-D34 HydrophobicContact CD2-CB 3.98Å; L30-D34 HydrophobicContact CG-CB 4.44Å
31	T	67.4	Low	50.3	Low	82 Å²	82	133.5 Å²	133.5	50%	0.503	65%	0.648	S	S	.	*			trans	-66.2	158.5	173.9	72.1	0	0	0	0	110.1	S33 D34 R35	T31-S33 PolarHBondContact O-N 3.48Å; T31-S33 WeakPolarHBondContact OG1-CB 3.15Å; T31-S33 PolarHBondContact OG1-N 2.92Å; T31-D34 WeakPolarHBondContact CB-OD2 3.39Å; T31-D34 PolarHBondContact N-OD2 2.85Å; T31-D34 WeakPolarHBondContact O-CB 3.29Å; T31-D34 PolarHBondContact O-N 3.44Å; T31-D34 VanDerWaalsContact OG1-CG 3.29Å; T31-D34 PolarHBondContact OG1-N 3.06Å; T31-D34 VanDerWaalsContact OG1-N 3.17Å; T31-D34 PolarHBondContact OG1-OD2 3.44Å; T31-R35 PolarHBondContact O-N 3.24Å
32	D	56.9	Low	50.5	Low	100 Å²	100	131.1 Å²	131.1	54%	0.535	63%	0.634	S	S	.	*	H	α-helix	trans	-67.7	-17.8	174.7	-89.2	-67.3	0	0	0	112.9	R35 A36	D32-R35 PolarHBondContact O-N 3.36Å; D32-R35 WeakPolarHBondContact OD1-CD 3.47Å; D32-R35 IonicContact OD1-CZ 3.78Å; D32-R35 VanDerWaalsContact OD1-CZ 3.25Å; D32-R35 IonicContact OD1-NE 2.7Å; D32-R35 PolarHBondContact OD1-NE 2.96Å; D32-R35 IonicContact OD1-NH1 3.66Å; D32-R35 PolarHBondContact OD1-NH1 2.82Å; D32-R35 IonicContact OD2-CZ 2.69Å; D32-R35 IonicContact OD2-NH1 2.67Å; D32-R35 PolarHBondContact OD2-NH1 3.16Å; D32-A36 WeakPolarHBondContact O-CB 3.22Å; D32-A36 PolarHBondContact O-N 3.39Å
33	S	49.4	Very low	50.2	Low	85 Å²	85	129.4 Å²	129.4	59%	0.594	62%	0.622	S	S	*	*	H	α-helix	trans	-64.5	-52.6	166.7	-170.7	0	0	0	0	111.4	T31 R35 A36 Q37	T31-S33 PolarHBondContact O-N 3.48Å; T31-S33 WeakPolarHBondContact OG1-CB 3.15Å; T31-S33 PolarHBondContact OG1-N 2.92Å; S33-R35 PolarHBondContact O-N 3.25Å; S33-A36 PolarHBondContact O-N 2.67Å; S33-Q37 PolarHBondContact O-N 2.7Å
34	D	58.1	Low	50.6	Low	62 Å²	62	124.4 Å²	124.4	33%	0.332	61%	0.607	S	S	.	*	H	α-helix	trans	-57.8	-33.3	175	-60	-67.5	0	0	0	112.3	L30 T31 R38	L30-D34 HydrophobicContact CB-CB 4Å; L30-D34 HydrophobicContact CD2-CB 3.98Å; L30-D34 HydrophobicContact CG-CB 4.44Å; T31-D34 WeakPolarHBondContact CB-OD2 3.39Å; T31-D34 PolarHBondContact N-OD2 2.85Å; T31-D34 WeakPolarHBondContact O-CB 3.29Å; T31-D34 PolarHBondContact O-N 3.44Å; T31-D34 VanDerWaalsContact OG1-CG 3.29Å; T31-D34 PolarHBondContact OG1-N 3.06Å; T31-D34 VanDerWaalsContact OG1-N 3.17Å; T31-D34 PolarHBondContact OG1-OD2 3.44Å; D34-R38 WeakPolarHBondContact O-CD 3.24Å; D34-R38 VanDerWaalsContact O-CG 3.24Å; D34-R38 WeakPolarHBondContact O-CG 3.19Å; D34-R38 PolarHBondContact O-N 3.03Å; D34-R38 PolarHBondContact O-NE 3.47Å
35	R	61.9	Low	50.9	Low	109 Å²	109	124.7 Å²	124.7	41%	0.411	59%	0.594	S	S	.	*	H	α-helix	trans	-73.4	-38.3	177.8	-165.2	-175.4	-67.5	160.9	-5.4	111.5	T31 D32 S33 R39	T31-R35 PolarHBondContact O-N 3.24Å; D32-R35 PolarHBondContact O-N 3.36Å; D32-R35 WeakPolarHBondContact OD1-CD 3.47Å; D32-R35 IonicContact OD1-CZ 3.78Å; D32-R35 VanDerWaalsContact OD1-CZ 3.25Å; D32-R35 IonicContact OD1-NE 2.7Å; D32-R35 PolarHBondContact OD1-NE 2.96Å; D32-R35 IonicContact OD1-NH1 3.66Å; D32-R35 PolarHBondContact OD1-NH1 2.82Å; D32-R35 IonicContact OD2-CZ 2.69Å; D32-R35 IonicContact OD2-NH1 2.67Å; D32-R35 PolarHBondContact OD2-NH1 3.16Å; S33-R35 PolarHBondContact O-N 3.25Å; R35-R39 WeakPolarHBondContact O-CD 3.48Å; R35-R39 VanDerWaalsContact O-CG 3.27Å; R35-R39 WeakPolarHBondContact O-CG 3.4Å; R35-R39 PolarHBondContact O-N 3.32Å
36	A	46.5	Very low	50.7	Low	53 Å²	53	120 Å²	120	44%	0.438	58%	0.577	S	S	.	*	H	α-helix	trans	-67.3	-46	174.3	0	0	0	0	0	111.7	D32 S33 R38 R39 L40	D32-A36 WeakPolarHBondContact O-CB 3.22Å; D32-A36 PolarHBondContact O-N 3.39Å; S33-A36 PolarHBondContact O-N 2.67Å; A36-R38 PolarHBondContact O-N 2.95Å; A36-R39 WeakPolarHBondContact O-CB 3.25Å; A36-R39 PolarHBondContact O-N 3.42Å; A36-R39 VanDerWaalsContact O-N 3.12Å; A36-L40 PolarHBondContact O-N 2.88Å; A36-L40 VanDerWaalsContact O-N 3.09Å
37	Q	50.9	Low	50.6	Low	118 Å²	118	121.1 Å²	121.1	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-63.3	-44.5	-178.2	-170.8	157.3	-34.6	0	0	112.2	S33 R39 L40 E41	S33-Q37 PolarHBondContact O-N 2.7Å; Q37-R39 VanDerWaalsContact C-N 3.27Å; Q37-R39 PolarHBondContact O-N 3.14Å; Q37-L40 WeakPolarHBondContact O-CB 3.37Å; Q37-L40 PolarHBondContact O-N 3.15Å; Q37-L40 VanDerWaalsContact O-N 3.08Å; Q37-E41 PolarHBondContact O-N 3.41Å
38	R	55.7	Low	50.4	Low	130 Å²	130	114.7 Å²	114.7	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-60.4	-33.2	173.9	-69.9	171.1	-152.8	-102	-2.9	113.2	D34 A36 S42	D34-R38 WeakPolarHBondContact O-CD 3.24Å; D34-R38 VanDerWaalsContact O-CG 3.24Å; D34-R38 WeakPolarHBondContact O-CG 3.19Å; D34-R38 PolarHBondContact O-N 3.03Å; D34-R38 PolarHBondContact O-NE 3.47Å; A36-R38 PolarHBondContact O-N 2.95Å; R38-S42 VanDerWaalsContact O-CB 3.23Å; R38-S42 WeakPolarHBondContact O-CB 3.46Å; R38-S42 PolarHBondContact O-N 3Å; R38-S42 PolarHBondContact O-OG 3.33Å
39	R	51.8	Low	50	Low	156 Å²	156	111.7 Å²	111.7	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-67.9	-38.7	174.9	-74.3	164.8	170.3	157	-7.9	111.4	R35 A36 Q37 R43	R35-R39 WeakPolarHBondContact O-CD 3.48Å; R35-R39 VanDerWaalsContact O-CG 3.27Å; R35-R39 WeakPolarHBondContact O-CG 3.4Å; R35-R39 PolarHBondContact O-N 3.32Å; A36-R39 WeakPolarHBondContact O-CB 3.25Å; A36-R39 PolarHBondContact O-N 3.42Å; A36-R39 VanDerWaalsContact O-N 3.12Å; Q37-R39 VanDerWaalsContact C-N 3.27Å; Q37-R39 PolarHBondContact O-N 3.14Å; R39-R43 PolarHBondContact O-N 3.41Å
40	L	48.4	Very low	49.4	Very low	103 Å²	103	109.1 Å²	109.1	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-68.3	-46.9	177.8	-167.5	71.3	0	0	0	111.9	A36 Q37 S42 R43 K44	A36-L40 PolarHBondContact O-N 2.88Å; A36-L40 VanDerWaalsContact O-N 3.09Å; Q37-L40 WeakPolarHBondContact O-CB 3.37Å; Q37-L40 PolarHBondContact O-N 3.15Å; Q37-L40 VanDerWaalsContact O-N 3.08Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 2.91Å; L40-R43 PolarHBondContact O-N 2.77Å; L40-K44 WeakPolarHBondContact O-CG 3.39Å; L40-K44 PolarHBondContact O-N 3.24Å
41	E	51.9	Low	48.3	Very low	107 Å²	107	110.9 Å²	110.9	50%	0.5	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-41.4	174.2	-69.8	171.1	177.1	0	0	111.7	Q37 K44 K45	Q37-E41 PolarHBondContact O-N 3.41Å; E41-K44 PolarHBondContact O-N 2.81Å; E41-K45 WeakPolarHBondContact O-CB 3.5Å; E41-K45 PolarHBondContact O-N 3.4Å; E41-K45 VanDerWaalsContact O-N 3.07Å
42	S	48.8	Very low	47	Very low	59 Å²	59	116.4 Å²	116.4	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-61.4	-47.7	176.3	-62.9	0	0	0	0	111.8	R38 L40 K44 K45 Y46	R38-S42 VanDerWaalsContact O-CB 3.23Å; R38-S42 WeakPolarHBondContact O-CB 3.46Å; R38-S42 PolarHBondContact O-N 3Å; R38-S42 PolarHBondContact O-OG 3.33Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 2.91Å; S42-K44 PolarHBondContact O-N 3.3Å; S42-K45 PolarHBondContact O-N 3.28Å; S42-K45 VanDerWaalsContact O-N 3.16Å; S42-Y46 VanDerWaalsContact O-CD2 3.28Å; S42-Y46 WeakPolarHBondContact O-CD2 3.26Å; S42-Y46 PolarHBondContact O-N 3.02Å
43	R	38.8	Very low	46.6	Very low	169 Å²	169	113.7 Å²	113.7	64%	0.638	53%	0.528	S	S	*	.	H	α-helix	trans	-55.6	-53.1	177.3	-82.2	-172.7	171.5	-171	-1.9	111.3	R39 L40 K45 Y46 D47	R39-R43 PolarHBondContact O-N 3.41Å; L40-R43 PolarHBondContact O-N 2.77Å; R43-K45 PolarHBondContact O-N 3.38Å; R43-K45 VanDerWaalsContact O-N 3.17Å; R43-Y46 PolarHBondContact O-N 3.2Å; R43-D47 PolarHBondContact O-N 3.16Å
44	K	45.3	Very low	46.6	Very low	142 Å²	142	112.4 Å²	112.4	62%	0.617	53%	0.528	S	S	*	.	H	α-helix	trans	-53.1	-39.5	177	-68.3	179.8	177.7	-176.5	0	112.6	L40 E41 S42	L40-K44 WeakPolarHBondContact O-CG 3.39Å; L40-K44 PolarHBondContact O-N 3.24Å; E41-K44 PolarHBondContact O-N 2.81Å; S42-K44 PolarHBondContact O-N 3.3Å
45	K	47	Very low	45.7	Very low	132 Å²	132	116.3 Å²	116.3	57%	0.574	55%	0.545	S	S	*	.	H	α-helix	trans	-77.2	-22	179.9	-159.9	164	-170.9	166.7	0	114.2	E41 S42 R43 R49	E41-K45 WeakPolarHBondContact O-CB 3.5Å; E41-K45 PolarHBondContact O-N 3.4Å; E41-K45 VanDerWaalsContact O-N 3.07Å; S42-K45 PolarHBondContact O-N 3.28Å; S42-K45 VanDerWaalsContact O-N 3.16Å; R43-K45 PolarHBondContact O-N 3.38Å; R43-K45 VanDerWaalsContact O-N 3.17Å; K45-R49 VanDerWaalsContact O-CD 3.32Å; K45-R49 WeakPolarHBondContact O-CD 3.44Å; K45-R49 WeakPolarHBondContact O-CG 3.38Å
46	Y	39.2	Very low	44.8	Very low	155 Å²	155	114.1 Å²	114.1	61%	0.608	55%	0.546	S	S	*	.	H	α-helix	trans	-82	-40.5	173.9	-89.3	-72.4	0	0	0	112.8	S42 R43 R49 R50	S42-Y46 VanDerWaalsContact O-CD2 3.28Å; S42-Y46 WeakPolarHBondContact O-CD2 3.26Å; S42-Y46 PolarHBondContact O-N 3.02Å; R43-Y46 PolarHBondContact O-N 3.2Å; Y46-R49 PolarHBondContact O-N 3.16Å; Y46-R50 PolarHBondContact O-N 2.83Å
47	D	38.8	Very low	44.9	Very low	100 Å²	100	114.6 Å²	114.6	54%	0.535	54%	0.539	S	S	.	.	H	α-helix	trans	-66.1	-43.9	-174.3	-70.2	-44	0	0	0	112.5	R43 R49 R50 V51	R43-D47 PolarHBondContact O-N 3.16Å; D47-R49 VanDerWaalsContact C-N 3.33Å; D47-R49 PolarHBondContact O-N 3.24Å; D47-R50 PolarHBondContact O-N 3.37Å; D47-R50 VanDerWaalsContact O-N 3.16Å; D47-V51 PolarHBondContact O-N 3.5Å
48	V	38.6	Very low	44.8	Very low	101 Å²	101	117.3 Å²	117.3	61%	0.612	55%	0.549	S	S	*	.	H	α-helix	trans	-58.7	-42.4	177.8	177.5	0	0	0	0	112.1	R50 V51	V48-R50 VanDerWaalsContact C-N 3.26Å; V48-R50 PolarHBondContact O-N 3.08Å; V48-V51 PolarHBondContact O-N 3.47Å
49	R	42.4	Very low	44.2	Very low	55 Å²	55	116.7 Å²	116.7	21%	0.208	55%	0.554	C	S	.	*	H	α-helix	trans	-67.4	-25.6	-179.2	-70.6	173.5	170.8	-178.8	-3.4	113.2	K45 Y46 D47 W60 D71	K45-R49 VanDerWaalsContact O-CD 3.32Å; K45-R49 WeakPolarHBondContact O-CD 3.44Å; K45-R49 WeakPolarHBondContact O-CG 3.38Å; Y46-R49 PolarHBondContact O-N 3.16Å; D47-R49 VanDerWaalsContact C-N 3.33Å; D47-R49 PolarHBondContact O-N 3.24Å; R49-W60 HydrophobicContact CB-CH2 4.44Å; R49-W60 HydrophobicContact CG-CH2 3.93Å; R49-D71 IonicContact CZ-OD1 3.48Å; R49-D71 IonicContact CZ-OD2 3.46Å; R49-D71 IonicContact NE-OD1 3.35Å; R49-D71 IonicContact NH2-OD1 2.66Å; R49-D71 PolarHBondContact NH2-OD1 3.42Å; R49-D71 IonicContact NH2-OD2 2.61Å; R49-D71 PolarHBondContact NH2-OD2 3.42Å
50	R	37.7	Very low	44.2	Very low	195 Å²	195	109.7 Å²	109.7	74%	0.736	53%	0.528	S	S	*	.	H	α-helix	trans	-79	-26.8	-179.4	-167.4	175.6	-174.3	167.4	3.5	113.1	Y46 D47 V48	Y46-R50 PolarHBondContact O-N 2.83Å; D47-R50 PolarHBondContact O-N 3.37Å; D47-R50 VanDerWaalsContact O-N 3.16Å; V48-R50 VanDerWaalsContact C-N 3.26Å; V48-R50 PolarHBondContact O-N 3.08Å
51	V	38.6	Very low	44.4	Very low	116 Å²	116	106.2 Å²	106.2	70%	0.703	51%	0.512	S	S	*	.	H	α-helix	trans	-74	-33.3	-177.4	174.3	0	0	0	0	112.3	D47 V48	D47-V51 PolarHBondContact O-N 3.5Å; V48-V51 PolarHBondContact O-N 3.47Å
52	Y	40.8	Very low	44.2	Very low	197 Å²	197	104 Å²	104	77%	0.773	50%	0.502	S	S	*	.	H	α-helix	trans	-104	-16.5	-169.8	-83.6	-86.3	0	0	0	116.7
53	L	47.7	Very low	44.1	Very low	44 Å²	44	102.6 Å²	102.6	23%	0.23	49%	0.49	C	S	.	.			trans	-126.7	11.7	-164.5	-69	174.9	0	0	0	117.2	S56 H57 W60	L53-S56 PolarHBondContact O-OG 3.07Å; L53-H57 PolarHBondContact O-N 3.28Å; L53-W60 HydrophobicContact CD1-CD2 3.9Å; L53-W60 VanDerWaalsContact CD1-CE2 3.43Å; L53-W60 HydrophobicContact CD1-CE3 4.47Å; L53-W60 HydrophobicContact CD1-CG 4.3Å; L53-W60 HydrophobicContact CD1-CH2 4.21Å; L53-W60 HydrophobicContact CD1-CZ2 3.61Å
54	G	49.5	Very low	44.9	Very low	58 Å²	58	98 Å²	98	60%	0.598	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	-142.2	164	0	0	0	0	0	116.6	H57	G54-H57 WeakPolarHBondContact O-CB 3.22Å
55	E	39.4	Very low	45.2	Very low	144 Å²	144	100.1 Å²	100.1	67%	0.673	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.1	180	-59.2	-158	150.7	0	0	113.5	H57 K58 R453	E55-H57 PolarHBondContact O-N 2.84Å; E55-H57 VanDerWaalsContact O-N 3.12Å; E55-K58 PolarHBondContact O-N 3.45Å; E55-R453 IonicContact OE1-CZ 3.48Å; E55-R453 IonicContact OE1-NH1 2.62Å; E55-R453 PolarHBondContact OE1-NH1 3.06Å; E55-R453 IonicContact OE1-NH2 2.66Å; E55-R453 PolarHBondContact OE1-NH2 2.82Å
56	S	42.9	Very low	45.3	Very low	62 Å²	62	99.8 Å²	99.8	43%	0.434	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-14	164.7	36.6	0	0	0	0	112.6	L53 K58 L59 W60	L53-S56 PolarHBondContact O-OG 3.07Å; S56-K58 PolarHBondContact O-N 3.22Å; S56-L59 PolarHBondContact O-N 3.47Å; S56-W60 VanDerWaalsContact O-CB 3.3Å; S56-W60 WeakPolarHBondContact O-CB 3.49Å; S56-W60 PolarHBondContact O-N 2.9Å
57	H	48	Very low	45.7	Very low	63 Å²	63	93.3 Å²	93.3	29%	0.292	45%	0.448	S	S	.	.	H	α-helix	trans	-47.6	-29.5	169.5	-171.3	-80.2	0	0	0	114.2	L53 G54 E55 W60 S61	L53-H57 PolarHBondContact O-N 3.28Å; G54-H57 WeakPolarHBondContact O-CB 3.22Å; E55-H57 PolarHBondContact O-N 2.84Å; E55-H57 VanDerWaalsContact O-N 3.12Å; H57-W60 AromaticContact CD2-CE3 3.86Å; H57-W60 AromaticContact CD2-CZ3 3.97Å; H57-W60 AromaticContact NE2-CZ3 3.83Å; H57-S61 PolarHBondContact CE1-OG 3.36Å; H57-S61 PolarHBondContact ND1-OG 3.04Å; H57-S61 VanDerWaalsContact O-CB 3.23Å; H57-S61 WeakPolarHBondContact O-CB 3.26Å; H57-S61 PolarHBondContact O-N 2.89Å; H57-S61 PolarHBondContact O-OG 3.45Å
58	K	48.8	Very low	46.1	Very low	176 Å²	176	92.8 Å²	92.8	77%	0.765	45%	0.452	S	S	*	.	H	α-helix	trans	-68.2	-51.4	173.3	-78	-175.9	178.1	177.7	0	112.5	E55 S56 W60 S61 E62	E55-K58 PolarHBondContact O-N 3.45Å; S56-K58 PolarHBondContact O-N 3.22Å; K58-W60 VanDerWaalsContact C-N 3.35Å; K58-S61 PolarHBondContact O-N 3.34Å; K58-E62 PolarHBondContact O-N 2.85Å
59	L	44.2	Very low	46.6	Very low	116 Å²	116	89.9 Å²	89.9	61%	0.607	43%	0.433	S	S	*	.	H	α-helix	trans	-65.3	-39.5	176.4	-81.9	165.1	0	0	0	111.6	S56 S61 E62 L63	S56-L59 PolarHBondContact O-N 3.47Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 3.44Å; L59-E62 WeakPolarHBondContact O-CA 3.5Å; L59-E62 PolarHBondContact O-N 3.43Å; L59-L63 PolarHBondContact O-N 3.39Å
60	W	50.9	Low	47	Very low	10 Å²	10	90.8 Å²	90.8	4%	0.038	45%	0.448	C	S	.	.	H	α-helix	trans	-60.1	-42.8	173.8	-172.5	81.5	0	0	0	111.7	R49 L53 S56 H57 K58 E62 R64 D71	R49-W60 HydrophobicContact CB-CH2 4.44Å; R49-W60 HydrophobicContact CG-CH2 3.93Å; L53-W60 HydrophobicContact CD1-CD2 3.9Å; L53-W60 VanDerWaalsContact CD1-CE2 3.43Å; L53-W60 HydrophobicContact CD1-CE3 4.47Å; L53-W60 HydrophobicContact CD1-CG 4.3Å; L53-W60 HydrophobicContact CD1-CH2 4.21Å; L53-W60 HydrophobicContact CD1-CZ2 3.61Å; S56-W60 VanDerWaalsContact O-CB 3.3Å; S56-W60 WeakPolarHBondContact O-CB 3.49Å; S56-W60 PolarHBondContact O-N 2.9Å; H57-W60 AromaticContact CD2-CE3 3.86Å; H57-W60 AromaticContact CD2-CZ3 3.97Å; H57-W60 AromaticContact NE2-CZ3 3.83Å; K58-W60 VanDerWaalsContact C-N 3.35Å; W60-E62 VanDerWaalsContact C-N 3.26Å; W60-E62 PolarHBondContact O-N 2.96Å; W60-R64 WeakPolarHBondContact O-CB 3.29Å; W60-R64 PolarHBondContact O-N 3.11Å; W60-R64 VanDerWaalsContact O-N 3.11Å; W60-D71 WeakPolarHBondContact CH2-OD1 3.38Å; W60-D71 WeakPolarHBondContact CZ2-OD1 3.48Å
61	S	52.9	Low	47.3	Very low	30 Å²	30	84.3 Å²	84.3	21%	0.21	43%	0.428	C	S	.	.	H	α-helix	trans	-68.8	-21.6	172.1	-59.7	0	0	0	0	113.4	H57 K58 L59 R65	H57-S61 PolarHBondContact CE1-OG 3.36Å; H57-S61 PolarHBondContact ND1-OG 3.04Å; H57-S61 VanDerWaalsContact O-CB 3.23Å; H57-S61 WeakPolarHBondContact O-CB 3.26Å; H57-S61 PolarHBondContact O-N 2.89Å; H57-S61 PolarHBondContact O-OG 3.45Å; K58-S61 PolarHBondContact O-N 3.34Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 3.44Å; S61-R65 WeakPolarHBondContact O-CB 3.38Å; S61-R65 WeakPolarHBondContact O-CG 3.4Å; S61-R65 PolarHBondContact O-N 2.77Å; S61-R65 PolarHBondContact O-NE 2.85Å
62	E	48.2	Very low	47.7	Very low	60 Å²	60	81.4 Å²	81.4	28%	0.28	42%	0.417	S	S	.	.	H	α-helix	trans	-86.8	-48.2	-179.8	-162.4	64.2	-169	0	0	111.9	K58 L59 W60 R64 R65 R66	K58-E62 PolarHBondContact O-N 2.85Å; L59-E62 WeakPolarHBondContact O-CA 3.5Å; L59-E62 PolarHBondContact O-N 3.43Å; W60-E62 VanDerWaalsContact C-N 3.26Å; W60-E62 PolarHBondContact O-N 2.96Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 3.19Å; E62-R65 PolarHBondContact O-N 3.33Å; E62-R65 VanDerWaalsContact O-N 3.15Å; E62-R65 IonicContact OE2-CZ 3.76Å; E62-R65 IonicContact OE2-NE 2.81Å; E62-R65 IonicContact OE2-NH2 3.81Å; E62-R65 PolarHBondContact OE2-NH2 2.83Å; E62-R66 WeakPolarHBondContact O-CB 3.33Å; E62-R66 WeakPolarHBondContact O-CG 3.45Å; E62-R66 PolarHBondContact O-N 2.63Å; E62-R66 IonicContact OE1-CZ 3.74Å; E62-R66 IonicContact OE1-NE 3.72Å; E62-R66 PolarHBondContact OE1-NE 2.98Å; E62-R66 IonicContact OE1-NH2 3.74Å; E62-R66 PolarHBondContact OE1-NH2 3.39Å
63	L	46.6	Very low	48	Very low	30 Å²	30	73 Å²	73	16%	0.157	39%	0.389	C	S	.	.	H	α-helix	trans	-55.8	-47	170.7	-98.8	69.7	0	0	0	110.6	L59 R65 R66 T67 L74 Y77	L59-L63 PolarHBondContact O-N 3.39Å; L63-R65 PolarHBondContact O-N 2.96Å; L63-R66 CarbonylContact O-C 3.58Å; L63-R66 PolarHBondContact O-N 2.67Å; L63-T67 PolarHBondContact O-N 2.87Å; L63-T67 PolarHBondContact O-OG1 2.64Å; L63-L74 HydrophobicContact CB-CD1 4.21Å; L63-L74 HydrophobicContact CB-CD2 4.03Å; L63-L74 HydrophobicContact CD2-CD2 3.94Å; L63-Y77 HydrophobicContact CD2-CD1 4.38Å; L63-Y77 HydrophobicContact CD2-CE1 4.18Å
64	R	54.9	Low	48.4	Very low	73 Å²	73	70.9 Å²	70.9	28%	0.275	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-32.7	179.1	-168.7	-157.1	-164.3	106.2	22	113.1	W60 E62 R66 D71 L74	W60-R64 WeakPolarHBondContact O-CB 3.29Å; W60-R64 PolarHBondContact O-N 3.11Å; W60-R64 VanDerWaalsContact O-N 3.11Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 3.19Å; R64-R66 VanDerWaalsContact C-N 3.31Å; R64-D71 IonicContact CZ-OD1 3.25Å; R64-D71 IonicContact CZ-OD2 3.2Å; R64-D71 IonicContact NH1-OD1 3.99Å; R64-D71 PolarHBondContact NH1-OD1 2.79Å; R64-D71 IonicContact NH1-OD2 2.94Å; R64-D71 IonicContact NH2-OD1 2.72Å; R64-D71 PolarHBondContact NH2-OD1 2.97Å; R64-D71 IonicContact NH2-OD2 2.74Å; R64-D71 PolarHBondContact NH2-OD2 2.85Å; R64-L74 HydrophobicContact CB-CD1 3.71Å; R64-L74 HydrophobicContact CG-CD1 4.28Å
65	R	52.4	Low	48.4	Very low	185 Å²	185	69.6 Å²	69.6	70%	0.698	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.7	177	-75	-175	-62.4	-178.1	5.8	113.6	S61 E62 L63	S61-R65 WeakPolarHBondContact O-CB 3.38Å; S61-R65 WeakPolarHBondContact O-CG 3.4Å; S61-R65 PolarHBondContact O-N 2.77Å; S61-R65 PolarHBondContact O-NE 2.85Å; E62-R65 PolarHBondContact O-N 3.33Å; E62-R65 VanDerWaalsContact O-N 3.15Å; E62-R65 IonicContact OE2-CZ 3.76Å; E62-R65 IonicContact OE2-NE 2.81Å; E62-R65 IonicContact OE2-NH2 3.81Å; E62-R65 PolarHBondContact OE2-NH2 2.83Å; L63-R65 PolarHBondContact O-N 2.96Å
66	R	48.4	Very low	48.7	Very low	125 Å²	125	68.2 Å²	68.2	47%	0.472	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-6	-172.5	-67.8	-177.1	-175.2	-101.9	0.4	115.8	E62 L63 R64 Y124	E62-R66 WeakPolarHBondContact O-CB 3.33Å; E62-R66 WeakPolarHBondContact O-CG 3.45Å; E62-R66 PolarHBondContact O-N 2.63Å; E62-R66 IonicContact OE1-CZ 3.74Å; E62-R66 IonicContact OE1-NE 3.72Å; E62-R66 PolarHBondContact OE1-NE 2.98Å; E62-R66 IonicContact OE1-NH2 3.74Å; E62-R66 PolarHBondContact OE1-NH2 3.39Å; L63-R66 CarbonylContact O-C 3.58Å; L63-R66 PolarHBondContact O-N 2.67Å; R64-R66 VanDerWaalsContact C-N 3.31Å; R66-Y124 WeakPolarHBondContact O-CE2 3.34Å; R66-Y124 PolarHBondContact O-OH 3.14Å
67	T	48.8	Very low	49.1	Very low	19 Å²	19	65.7 Å²	65.7	12%	0.117	34%	0.337	C	S	.	.	S	Bend	trans	-136.7	6.5	-175.6	61.4	0	0	0	0	113.5	L63 L69	L63-T67 PolarHBondContact O-N 2.87Å; L63-T67 PolarHBondContact O-OG1 2.64Å; T67-L69 PolarHBondContact O-N 2.97Å
68	S	47.2	Very low	49.2	Very low	89 Å²	89	64.9 Å²	64.9	62%	0.622	33%	0.334	S	S	*	.			trans	51.6	10.5	179.3	-61.5	0	0	0	0	117.8	E134	S68-E134 VanDerWaalsContact CB-OE1 3.23Å; S68-E134 WeakPolarHBondContact CB-OE1 3.48Å; S68-E134 PolarHBondContact N-OE1 2.96Å; S68-E134 PolarHBondContact OG-OE1 3.38Å; S68-E134 PolarHBondContact OG-OE2 3Å
69	L	49.1	Very low	49.1	Very low	40 Å²	40	61.6 Å²	61.6	21%	0.209	32%	0.324	C	S	.	.			trans	-65.2	147.1	-178	-68.8	176.4	0	0	0	113.7	T67 L74	T67-L69 PolarHBondContact O-N 2.97Å; L69-L74 HydrophobicContact CB-CB 4.41Å; L69-L74 HydrophobicContact CB-CD1 4.25Å; L69-L74 HydrophobicContact CB-CG 4.26Å; L69-L74 HydrophobicContact CD1-CG 4.32Å
70	S	49	Very low	49.2	Very low	75 Å²	75	59.1 Å²	59.1	52%	0.524	31%	0.311	S	S	.	.			trans	-69.6	162.3	171.7	74.4	0	0	0	0	111.8	A72 G73 L74	S70-A72 PolarHBondContact O-N 3.23Å; S70-G73 PolarHBondContact O-N 2.83Å; S70-G73 PolarHBondContact OG-N 3.2Å; S70-L74 WeakPolarHBondContact O-CB 3.42Å; S70-L74 PolarHBondContact O-N 3.33Å; S70-L74 VanDerWaalsContact O-N 3.13Å
71	D	44.9	Very low	48.9	Very low	58 Å²	58	61.6 Å²	61.6	31%	0.31	32%	0.324	S	S	.	.	H	α-helix	trans	-55.1	-34.2	175.6	-78.7	-58	0	0	0	112.6	R49 W60 R64 A75	R49-D71 IonicContact CZ-OD1 3.48Å; R49-D71 IonicContact CZ-OD2 3.46Å; R49-D71 IonicContact NE-OD1 3.35Å; R49-D71 IonicContact NH2-OD1 2.66Å; R49-D71 PolarHBondContact NH2-OD1 3.42Å; R49-D71 IonicContact NH2-OD2 2.61Å; R49-D71 PolarHBondContact NH2-OD2 3.42Å; W60-D71 WeakPolarHBondContact CH2-OD1 3.38Å; W60-D71 WeakPolarHBondContact CZ2-OD1 3.48Å; R64-D71 IonicContact CZ-OD1 3.25Å; R64-D71 IonicContact CZ-OD2 3.2Å; R64-D71 IonicContact NH1-OD1 3.99Å; R64-D71 PolarHBondContact NH1-OD1 2.79Å; R64-D71 IonicContact NH1-OD2 2.94Å; R64-D71 IonicContact NH2-OD1 2.72Å; R64-D71 PolarHBondContact NH2-OD1 2.97Å; R64-D71 IonicContact NH2-OD2 2.74Å; R64-D71 PolarHBondContact NH2-OD2 2.85Å; D71-A75 WeakPolarHBondContact O-CB 3.42Å; D71-A75 PolarHBondContact O-N 2.89Å; D71-A75 VanDerWaalsContact O-N 3.15Å
72	A	46.1	Very low	48.5	Very low	56 Å²	56	66.1 Å²	66.1	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-72.2	-55.2	-179.3	0	0	0	0	0	111.9	S70 L74 A75 E76	S70-A72 PolarHBondContact O-N 3.23Å; A72-L74 PolarHBondContact O-N 3.48Å; A72-A75 CarbonylContact O-C 3.53Å; A72-A75 WeakPolarHBondContact O-CA 3.34Å; A72-A75 WeakPolarHBondContact O-CB 3.31Å; A72-A75 PolarHBondContact O-N 3.21Å; A72-E76 WeakPolarHBondContact O-CG 3.5Å; A72-E76 PolarHBondContact O-N 3.28Å
73	G	48.9	Very low	48.2	Very low	19 Å²	19	66.8 Å²	66.8	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-63.1	-30.4	-179.4	0	0	0	0	0	113.4	S70 Y77	S70-G73 PolarHBondContact O-N 2.83Å; S70-G73 PolarHBondContact OG-N 3.2Å; G73-Y77 WeakPolarHBondContact O-CB 3.34Å; G73-Y77 PolarHBondContact O-N 2.83Å
74	L	54.8	Low	48.2	Very low	1 Å²	1	66.5 Å²	66.5	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-75.2	-27	173.3	-128.2	166.8	0	0	0	112.5	L63 R64 L69 S70 A72 L78	L63-L74 HydrophobicContact CB-CD1 4.21Å; L63-L74 HydrophobicContact CB-CD2 4.03Å; L63-L74 HydrophobicContact CD2-CD2 3.94Å; R64-L74 HydrophobicContact CB-CD1 3.71Å; R64-L74 HydrophobicContact CG-CD1 4.28Å; L69-L74 HydrophobicContact CB-CB 4.41Å; L69-L74 HydrophobicContact CB-CD1 4.25Å; L69-L74 HydrophobicContact CB-CG 4.26Å; L69-L74 HydrophobicContact CD1-CG 4.32Å; S70-L74 WeakPolarHBondContact O-CB 3.42Å; S70-L74 PolarHBondContact O-N 3.33Å; S70-L74 VanDerWaalsContact O-N 3.13Å; A72-L74 PolarHBondContact O-N 3.48Å; L74-L78 HydrophobicContact CD2-CD1 4.23Å; L74-L78 WeakPolarHBondContact O-CD1 3.4Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.39Å; L74-L78 PolarHBondContact O-N 2.99Å
75	A	49.8	Very low	47.3	Very low	31 Å²	31	67.8 Å²	67.8	26%	0.256	36%	0.363	S	S	.	.	H	α-helix	trans	-75.5	-45.1	169.9	0	0	0	0	0	111.3	D71 A72 Y77 L78 I79	D71-A75 WeakPolarHBondContact O-CB 3.42Å; D71-A75 PolarHBondContact O-N 2.89Å; D71-A75 VanDerWaalsContact O-N 3.15Å; A72-A75 CarbonylContact O-C 3.53Å; A72-A75 WeakPolarHBondContact O-CA 3.34Å; A72-A75 WeakPolarHBondContact O-CB 3.31Å; A72-A75 PolarHBondContact O-N 3.21Å; A75-Y77 PolarHBondContact O-N 3.36Å; A75-L78 CarbonylContact O-C 3.54Å; A75-L78 PolarHBondContact O-N 3.23Å; A75-L78 VanDerWaalsContact O-N 3.1Å; A75-I79 WeakPolarHBondContact O-CB 3.34Å; A75-I79 VanDerWaalsContact O-CG1 3.26Å; A75-I79 WeakPolarHBondContact O-CG1 3.45Å; A75-I79 PolarHBondContact O-N 3.11Å
76	E	46.8	Very low	46.4	Very low	114 Å²	114	61.7 Å²	61.7	53%	0.533	36%	0.358	S	S	.	.	H	α-helix	trans	-58.3	-45.4	176.9	-73	164.7	-163.1	0	0	112.1	A72 L78 I79 L80	A72-E76 WeakPolarHBondContact O-CG 3.5Å; A72-E76 PolarHBondContact O-N 3.28Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 3.12Å; E76-I79 PolarHBondContact O-N 2.87Å; E76-L80 WeakPolarHBondContact O-CB 3.28Å; E76-L80 PolarHBondContact O-N 2.84Å
77	Y	50.3	Low	45.8	Very low	10 Å²	10	59.1 Å²	59.1	4%	0.039	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-37.2	174.4	177.8	-101.9	0	0	0	112.9	L63 G73 A75 L81 L117 W152	L63-Y77 HydrophobicContact CD2-CD1 4.38Å; L63-Y77 HydrophobicContact CD2-CE1 4.18Å; G73-Y77 WeakPolarHBondContact O-CB 3.34Å; G73-Y77 PolarHBondContact O-N 2.83Å; A75-Y77 PolarHBondContact O-N 3.36Å; Y77-L81 PolarHBondContact O-N 2.89Å; Y77-L117 HydrophobicContact CE1-CD1 3.99Å; Y77-W152 HydrophobicContact CD2-CZ2 4.44Å; Y77-W152 AromaticContact CE2-CZ2 3.99Å; Y77-W152 HydrophobicContact CE2-CZ2 3.99Å
78	L	51	Low	45.2	Very low	46 Å²	46	67.5 Å²	67.5	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-80.1	-29.8	177.4	-71.4	173.5	0	0	0	113.1	L74 A75 E76 L81 N82	L74-L78 HydrophobicContact CD2-CD1 4.23Å; L74-L78 WeakPolarHBondContact O-CD1 3.4Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.39Å; L74-L78 PolarHBondContact O-N 2.99Å; A75-L78 CarbonylContact O-C 3.54Å; A75-L78 PolarHBondContact O-N 3.23Å; A75-L78 VanDerWaalsContact O-N 3.1Å; E76-L78 VanDerWaalsContact C-N 3.29Å; E76-L78 PolarHBondContact O-N 3.12Å; L78-L81 WeakPolarHBondContact O-CB 3.42Å; L78-L81 PolarHBondContact O-N 3.34Å; L78-N82 WeakPolarHBondContact O-CB 3.46Å; L78-N82 PolarHBondContact O-N 3.07Å; L78-N82 VanDerWaalsContact O-N 3.16Å
79	I	45.1	Very low	44.5	Very low	106 Å²	106	70.6 Å²	70.6	54%	0.544	40%	0.398	S	S	.	.	H	α-helix	trans	-66.4	-47.9	171.3	-71.4	162.9	0	0	0	108.7	A75 E76 L81 N82 S83	A75-I79 WeakPolarHBondContact O-CB 3.34Å; A75-I79 VanDerWaalsContact O-CG1 3.26Å; A75-I79 WeakPolarHBondContact O-CG1 3.45Å; A75-I79 PolarHBondContact O-N 3.11Å; E76-I79 PolarHBondContact O-N 2.87Å; I79-L81 PolarHBondContact O-N 3.39Å; I79-L81 VanDerWaalsContact O-N 3.13Å; I79-N82 CarbonylContact O-C 3.54Å; I79-N82 PolarHBondContact O-N 3.35Å; I79-S83 WeakPolarHBondContact O-CA 3.37Å; I79-S83 WeakPolarHBondContact O-CB 3.27Å; I79-S83 PolarHBondContact O-N 3.27Å; I79-S83 PolarHBondContact O-OG 2.77Å
80	L	46.3	Very low	43.8	Very low	64 Å²	64	77.5 Å²	77.5	34%	0.335	43%	0.429	S	S	.	.	H	α-helix	trans	-59	-23.5	172.6	-88.7	155.1	0	0	0	114.1	E76 L140 T148	E76-L80 WeakPolarHBondContact O-CB 3.28Å; E76-L80 PolarHBondContact O-N 2.84Å; L80-L140 HydrophobicContact CD1-CD1 3.67Å; L80-L140 HydrophobicContact CD1-CD2 4.26Å; L80-T148 HydrophobicContact CD2-CG2 4.44Å
81	L	45.3	Very low	43.1	Very low	62 Å²	62	81.9 Å²	81.9	33%	0.325	44%	0.441	S	S	.	.	H	α-helix	trans	-80.5	-23.5	173.4	-126.8	75.4	0	0	0	113.6	Y77 L78 I79 L117	Y77-L81 PolarHBondContact O-N 2.89Å; L78-L81 WeakPolarHBondContact O-CB 3.42Å; L78-L81 PolarHBondContact O-N 3.34Å; I79-L81 PolarHBondContact O-N 3.39Å; I79-L81 VanDerWaalsContact O-N 3.13Å; L81-L117 HydrophobicContact CD2-CD1 3.94Å
82	N	44.7	Very low	42.4	Very low	126 Å²	126	87.2 Å²	87.2	67%	0.674	46%	0.464	S	S	*	.	H	α-helix	trans	-124.3	2.7	-171.6	-82	7.5	0	0	0	114.3	L78 I79 T84	L78-N82 WeakPolarHBondContact O-CB 3.46Å; L78-N82 PolarHBondContact O-N 3.07Å; L78-N82 VanDerWaalsContact O-N 3.16Å; I79-N82 CarbonylContact O-C 3.54Å; I79-N82 PolarHBondContact O-N 3.35Å; N82-T84 VanDerWaalsContact C-N 3.33Å; N82-T84 CarbonylContact C-O 3.55Å
83	S	41	Very low	41.5	Very low	74 Å²	74	89.6 Å²	89.6	52%	0.517	48%	0.477	S	S	.	.			trans	-88.1	-1.7	-176.1	67.1	0	0	0	0	113.7	I79	I79-S83 WeakPolarHBondContact O-CA 3.37Å; I79-S83 WeakPolarHBondContact O-CB 3.27Å; I79-S83 PolarHBondContact O-N 3.27Å; I79-S83 PolarHBondContact O-OG 2.77Å
84	T	48	Very low	40.4	Very low	24 Å²	24	94.6 Å²	94.6	15%	0.147	51%	0.508	C	S	.	.	S	Bend	trans	-77.7	136.1	147.4	53.4	0	0	0	0	107.6	N82 Y165 L361	N82-T84 VanDerWaalsContact C-N 3.33Å; N82-T84 CarbonylContact C-O 3.55Å; T84-Y165 HydrophobicContact CG2-CE2 3.62Å; T84-L361 HydrophobicContact CG2-CD1 4.03Å
85	Y	36	Very low	39	Very low	99 Å²	99	97.7 Å²	97.7	39%	0.388	54%	0.539	S	S	.	.			trans	85.5	85.5	-163.6	-128.7	-129.6	0	0	0	107.6	L361 I362 I363	Y85-L361 WeakPolarHBondContact CA-O 3.38Å; Y85-L361 HydrophobicContact CD2-CB 3.65Å; Y85-L361 HydrophobicContact CD2-CD2 4.09Å; Y85-L361 HydrophobicContact CG-CB 4.42Å; Y85-L361 PolarHBondContact N-O 3.32Å; Y85-I362 WeakPolarHBondContact CD2-O 3.28Å; Y85-I362 WeakPolarHBondContact CE2-O 3.37Å; Y85-I363 HydrophobicContact CD1-CB 4.1Å; Y85-I363 HydrophobicContact CD1-CD1 4.48Å; Y85-I363 HydrophobicContact CD1-CG1 3.3Å; Y85-I363 HydrophobicContact CE1-CG1 4.17Å; Y85-I363 HydrophobicContact CG-CB 4.15Å; Y85-I363 HydrophobicContact CG-CG1 3.64Å; Y85-I363 WeakPolarHBondContact O-CD1 3.44Å; Y85-I363 WeakPolarHBondContact O-CG1 3.39Å
86	G	33.2	Very low	38.2	Very low	58 Å²	58	101.6 Å²	101.6	60%	0.598	55%	0.551	S	S	*	*			trans	-155.7	44.4	180	0	0	0	0	0	117.3	K88	G86-K88 PolarHBondContact O-N 3.07Å
87	D	36.2	Very low	37.6	Very low	71 Å²	71	100.3 Å²	100.3	38%	0.38	54%	0.543	S	S	.	.			trans	-90.7	89.4	-154.4	-167.9	33.3	0	0	0	116.7	I362 I363	D87-I362 HydrophobicContact CB-CB 3.89Å; D87-I362 HydrophobicContact CB-CG1 3.96Å; D87-I362 HydrophobicContact CB-CG2 3.6Å; D87-I362 VanDerWaalsContact OD2-CG2 3.27Å; D87-I362 WeakPolarHBondContact OD2-CG2 3.39Å; D87-I363 VanDerWaalsContact N-N 3.2Å
88	K	35.9	Very low	36.7	Very low	195 Å²	195	105.4 Å²	105.4	85%	0.848	58%	0.576	S	S	*	*			trans	-155.3	81.3	152.9	-76	-154.5	177.6	-167.2	0	110.6	G86	G86-K88 PolarHBondContact O-N 3.07Å
89	N	31.7	Very low	35.7	Very low	153 Å²	153	109 Å²	109	82%	0.818	60%	0.6	S	S	*	*			trans	-169.7	89.3	153.9	-102.6	-2.8	0	0	0	109.6
90	H	34.5	Very low	35	Very low	186 Å²	186	109 Å²	109	86%	0.861	62%	0.616	S	S	*	*			trans	-129.3	32.6	174.1	-144.9	-58.5	0	0	0	112.6
91	Q	35	Very low	34.1	Very low	166 Å²	166	109.4 Å²	109.4	78%	0.776	64%	0.635	S	S	*	*	S	Bend	trans	-148.3	152.5	173.9	-131.1	157.5	-15.6	0	0	108.2
92	E	30.8	Very low	33.3	Very low	171 Å²	171	112.6 Å²	112.6	80%	0.799	66%	0.656	S	S	*	*			trans	57.6	68.7	175.2	-63.7	165.7	-143.6	0	0	113.2
93	S	26.7	Very low	32.5	Very low	105 Å²	105	113 Å²	113	73%	0.734	66%	0.664	S	S	*	*				55.5	116.5	52.1	90.9	0	0	0	0	114.2
94	C	25.1	Very low	31.8	Very low	125 Å²	125	113.2 Å²	113.2	85%	0.845	68%	0.678	S	S	*	*			trans	70.7	123.9	177.4	-64.1	0	0	0	0	117
95	G	25.1	Very low	30.8	Very low	65 Å²	65	121.7 Å²	121.7	67%	0.67	71%	0.713	S	S	*	*			cis	157	-178.5	-10.5	0	0	0	0	0	114
96	K	33.8	Very low	30.5	Very low	113 Å²	113	124.8 Å²	124.8	49%	0.491	73%	0.73	S	S	.	*			trans	68.8	149.7	166.2	-61.4	142.7	-178.5	161.2	0	117.2	S174 E175	K96-S174 WeakPolarHBondContact CE-O 3.49Å; K96-E175 VanDerWaalsContact CE-C 3.44Å; K96-E175 WeakPolarHBondContact CE-O 3.36Å; K96-E175 PolarHBondContact NZ-O 2.9Å
97	K	34.4	Very low	30.3	Very low	88 Å²	88	131 Å²	131	38%	0.383	74%	0.741	S	S	.	*			cis	-164.1	149.1	-22.2	-115.9	-177.8	-176.3	-178.8	0	108.6	D173 S174 E175	K97-D173 WeakPolarHBondContact CE-OD1 3.44Å; K97-D173 WeakPolarHBondContact CE-OD2 3.39Å; K97-D173 IonicContact NZ-OD1 3.32Å; K97-D173 PolarHBondContact NZ-OD1 3.35Å; K97-D173 IonicContact NZ-OD2 3.21Å; K97-S174 WeakPolarHBondContact CE-O 3.25Å; K97-S174 PolarHBondContact NZ-O 3.33Å; K97-E175 IonicContact NZ-OE1 2.65Å; K97-E175 PolarHBondContact NZ-OE1 3.12Å
98	T	31.2	Very low	29.8	Very low	117 Å²	117	131.3 Å²	131.3	72%	0.718	76%	0.761	S	S	*	*			trans	61.1	154.5	148.7	57.8	0	0	0	0	120.2
99	T	29.5	Very low	29.3	Very low	122 Å²	122	125.3 Å²	125.3	75%	0.748	75%	0.754	S	S	*	*			cis	-167.2	151.1	-10.9	20.7	0	0	0	0	111.3
100	A	30.1	Very low	29.4	Very low	106 Å²	106	130 Å²	130	88%	0.876	76%	0.761	S	S	*	*			trans	53.9	154.1	150.5	0	0	0	0	0	120
101	G	27.5	Very low	29.5	Very low	71 Å²	71	130 Å²	130	73%	0.732	76%	0.758	S	S	*	*			cis	-169.6	-165.2	-2.8	0	0	0	0	0	108.3
102	V	29	Very low	29.3	Very low	129 Å²	129	129.6 Å²	129.6	78%	0.782	76%	0.757	S	S	*	*			cis	-161.8	143	-5.4	100.3	0	0	0	0	110.1
103	T	27.4	Very low	29.3	Very low	136 Å²	136	129.7 Å²	129.7	83%	0.834	75%	0.749	S	S	*	*			trans	45.8	135.6	163.2	64.1	0	0	0	0	123.8
104	G	26.8	Very low	30	Very low	78 Å²	78	126 Å²	126	80%	0.804	72%	0.722	S	S	*	*			trans	-172	122.4	154.6	0	0	0	0	0	112.9
105	K	27.3	Very low	31	Very low	202 Å²	202	123 Å²	123	88%	0.878	70%	0.703	S	S	*	*			trans	-106.5	141.5	-179.4	-65.8	175.1	179.9	172	0	111.2
106	Q	29.8	Very low	32.4	Very low	163 Å²	163	122.8 Å²	122.8	76%	0.762	69%	0.691	S	S	*	*				179.5	152.8	107.3	-97.3	-168.6	78.4	0	0	116.5
107	K	28.2	Very low	33.2	Very low	188 Å²	188	120 Å²	120	82%	0.817	68%	0.681	S	S	*	*			trans	16.6	135.9	154.2	-63.2	177.1	178.9	172	0	122
108	G	26.7	Very low	33.9	Very low	79 Å²	79	122.2 Å²	122.2	81%	0.814	69%	0.693	S	S	*	*			trans	119.6	105.8	133.4	0	0	0	0	0	116.8
109	G	25.6	Very low	35	Very low	68 Å²	68	118.3 Å²	118.3	70%	0.701	67%	0.671	S	S	*	*			trans	149.3	141.7	170.4	0	0	0	0	0	114.3	K111	G109-K111 PolarHBondContact O-N 3.02Å
110	R	33.6	Very low	36.2	Very low	253 Å²	253	113.3 Å²	113.3	96%	0.955	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-67.2	126.3	176	-85.4	177.1	164.9	165	-6	110.5
111	K	34.9	Very low	37.3	Very low	185 Å²	185	110.8 Å²	110.8	80%	0.804	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-88.5	117	169.2	-63.5	178.3	-178.1	177.2	0	109.8	G109	G109-K111 PolarHBondContact O-N 3.02Å
112	Q	32.6	Very low	38.6	Very low	158 Å²	158	110.3 Å²	110.3	74%	0.738	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-102.6	150.3	154.1	-86.8	-176.4	-19.9	0	0	109.4	Y163	Q112-Y163 WeakPolarHBondContact O-CE2 3.18Å
113	R	29.6	Very low	40.1	Very low	172 Å²	172	106.2 Å²	106.2	65%	0.649	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-101.1	138.2	170.6	-73.4	-161.5	-165	-163.1	11	109.6	Y163 E357	R113-Y163 HydrophobicContact CG-CE2 4.4Å; R113-E357 IonicContact CZ-OE1 3.38Å; R113-E357 IonicContact NH1-OE1 2.97Å; R113-E357 PolarHBondContact NH1-OE1 3.14Å; R113-E357 IonicContact NH1-OE2 2.99Å; R113-E357 PolarHBondContact NH1-OE2 3.11Å
114	V	41.3	Very low	41.3	Very low	28 Å²	28	102 Å²	102	17%	0.17	54%	0.538	C	S	.	.			trans	26.1	127	157.9	-152.7	0	0	0	0	120	Y163 L356	V114-Y163 WeakPolarHBondContact CG1-O 3.45Å; V114-Y163 VanDerWaalsContact CG2-CB 3.5Å; V114-Y163 HydrophobicContact CG2-CD2 3.88Å; V114-Y163 HydrophobicContact CG2-CG 4.03Å; V114-L356 HydrophobicContact CG1-CD2 4.48Å
115	S	45.8	Very low	42.6	Very low	63 Å²	63	106 Å²	106	44%	0.441	53%	0.529	S	S	.	.			trans	-165.5	112.5	134.6	47.9	0	0	0	0	112.7	S119	S115-S119 WeakPolarHBondContact O-CB 3.08Å; S115-S119 PolarHBondContact O-OG 2.95Å; S115-S119 PolarHBondContact OG-OG 3.26Å
116	S	54.3	Low	43.8	Very low	60 Å²	60	103.3 Å²	103.3	42%	0.42	52%	0.519	S	S	.	.	H	α-helix	trans	59.3	157.9	162	84.8	0	0	0	0	120.2	Q118 S119 Q162	S116-Q118 VanDerWaalsContact C-N 3.25Å; S116-Q118 PolarHBondContact O-N 2.91Å; S116-Q118 PolarHBondContact OG-N 3.4Å; S116-S119 PolarHBondContact OG-N 2.66Å; S116-S119 PolarHBondContact OG-OG 3.37Å; S116-Q162 PolarHBondContact O-NE2 3.47Å
117	L	51.8	Low	44.9	Very low	53 Å²	53	95.8 Å²	95.8	28%	0.277	48%	0.484	S	S	.	.	H	α-helix	trans	-68.3	-24.1	169.3	-169.6	148.8	0	0	0	112.3	Y77 L81 L120 V121	Y77-L117 HydrophobicContact CE1-CD1 3.99Å; L81-L117 HydrophobicContact CD2-CD1 3.94Å; L117-L120 PolarHBondContact O-N 3.48Å; L117-V121 HydrophobicContact CD2-CG2 4.28Å; L117-V121 PolarHBondContact O-N 3.22Å
118	Q	49.9	Very low	46.2	Very low	135 Å²	135	90.1 Å²	90.1	63%	0.631	47%	0.468	S	S	*	.	H	α-helix	trans	-67.2	-41	178	-169.5	71.3	2.8	0	0	111.9	S116 L120 V121 S122	S116-Q118 VanDerWaalsContact C-N 3.25Å; S116-Q118 PolarHBondContact O-N 2.91Å; S116-Q118 PolarHBondContact OG-N 3.4Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.8Å; Q118-V121 PolarHBondContact O-N 2.9Å; Q118-S122 PolarHBondContact O-N 2.92Å; Q118-S122 PolarHBondContact O-OG 3.33Å
119	S	53.7	Low	47.6	Very low	36 Å²	36	90.8 Å²	90.8	25%	0.252	47%	0.466	S	S	.	.	H	α-helix	trans	-68	-33.1	178.8	-52.5	0	0	0	0	112.4	S115 S116 V121 S122 W123	S115-S119 WeakPolarHBondContact O-CB 3.08Å; S115-S119 PolarHBondContact O-OG 2.95Å; S115-S119 PolarHBondContact OG-OG 3.26Å; S116-S119 PolarHBondContact OG-N 2.66Å; S116-S119 PolarHBondContact OG-OG 3.37Å; S119-V121 VanDerWaalsContact C-N 3.33Å; S119-S122 PolarHBondContact O-N 3.17Å; S119-W123 WeakPolarHBondContact O-CB 3.4Å; S119-W123 PolarHBondContact O-N 3.34Å
120	L	54	Low	48.8	Very low	16 Å²	16	91.7 Å²	91.7	8%	0.084	46%	0.461	C	S	.	.	H	α-helix	trans	-60.8	-42.1	171	178.1	64	0	0	0	111.3	L117 Q118 W123 Y124 W152 F160	L117-L120 PolarHBondContact O-N 3.48Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.8Å; L120-W123 HydrophobicContact CD1-CE3 4.34Å; L120-Y124 WeakPolarHBondContact O-CB 3.45Å; L120-Y124 PolarHBondContact O-N 3.44Å; L120-W152 HydrophobicContact CD1-CD2 3.83Å; L120-W152 HydrophobicContact CD1-CE3 4.48Å; L120-W152 HydrophobicContact CD1-CG 3.89Å; L120-W152 HydrophobicContact CD1-CZ2 4.41Å; L120-W152 HydrophobicContact CD2-CD2 4.46Å; L120-W152 HydrophobicContact CD2-CH2 4.18Å; L120-W152 HydrophobicContact CD2-CZ2 3.53Å; L120-F160 HydrophobicContact CB-CE1 4Å; L120-F160 HydrophobicContact CD1-CD1 3.72Å; L120-F160 HydrophobicContact CD1-CE1 3.87Å
121	V	54.5	Low	49.5	Very low	53 Å²	53	80.1 Å²	80.1	32%	0.321	42%	0.419	S	S	.	.	H	α-helix	trans	-67.9	-37.4	176.7	173.5	0	0	0	0	111.9	L117 Q118 S119 R125	L117-V121 HydrophobicContact CD2-CG2 4.28Å; L117-V121 PolarHBondContact O-N 3.22Å; Q118-V121 PolarHBondContact O-N 2.9Å; S119-V121 VanDerWaalsContact C-N 3.33Å; V121-R125 WeakPolarHBondContact O-CG 3.37Å; V121-R125 PolarHBondContact O-N 3.16Å
122	S	54	Low	50.4	Low	62 Å²	62	77.3 Å²	77.3	43%	0.434	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-48.7	173.8	-64.9	0	0	0	0	112	Q118 S119 Y124 R125 E126	Q118-S122 PolarHBondContact O-N 2.92Å; Q118-S122 PolarHBondContact O-OG 3.33Å; S119-S122 PolarHBondContact O-N 3.17Å; S122-Y124 VanDerWaalsContact C-N 3.32Å; S122-Y124 PolarHBondContact O-N 3.18Å; S122-R125 WeakPolarHBondContact O-CB 3.34Å; S122-R125 PolarHBondContact O-N 3.38Å; S122-R125 VanDerWaalsContact O-N 3.13Å; S122-E126 PolarHBondContact O-N 2.98Å; S122-E126 VanDerWaalsContact O-N 3.08Å
123	W	61	Low	51.3	Low	43 Å²	43	73.5 Å²	73.5	16%	0.163	40%	0.402	C	S	.	.	H	α-helix	trans	-58.3	-43.6	176	176.8	78.8	0	0	0	111.6	S119 L120 R125 E126 H127 P135 W152 H158 F160	S119-W123 WeakPolarHBondContact O-CB 3.4Å; S119-W123 PolarHBondContact O-N 3.34Å; L120-W123 HydrophobicContact CD1-CE3 4.34Å; W123-R125 VanDerWaalsContact C-N 3.31Å; W123-R125 PolarHBondContact O-N 3.02Å; W123-E126 PolarHBondContact O-N 3.15Å; W123-H127 HydrophobicContact CZ2-CB 4.47Å; W123-H127 WeakPolarHBondContact O-CB 3.44Å; W123-H127 PolarHBondContact O-N 3.29Å; W123-P135 HydrophobicContact CH2-CB 3.57Å; W123-P135 HydrophobicContact CH2-CG 4.06Å; W123-P135 HydrophobicContact CZ3-CB 3.75Å; W123-P135 HydrophobicContact CZ3-CG 3.85Å; W123-W152 HydrophobicContact CH2-CB 4.47Å; W123-W152 HydrophobicContact CZ3-CB 4.21Å; W123-H158 HydrophobicContact CZ2-CB 4.35Å; W123-F160 HydrophobicContact CB-CD2 4.07Å; W123-F160 HydrophobicContact CB-CE2 4.27Å; W123-F160 HydrophobicContact CB-CG 4.48Å; W123-F160 HydrophobicContact CD2-CB 3.63Å; W123-F160 HydrophobicContact CD2-CD2 4.23Å; W123-F160 AromaticContact CD2-CG 3.98Å; W123-F160 HydrophobicContact CD2-CG 3.98Å; W123-F160 HydrophobicContact CE3-CB 3.9Å; W123-F160 HydrophobicContact CE3-CG 4.26Å; W123-F160 HydrophobicContact CG-CB 4.12Å; W123-F160 AromaticContact CG-CD2 3.81Å; W123-F160 HydrophobicContact CG-CD2 3.81Å; W123-F160 HydrophobicContact CG-CE2 4.49Å; W123-F160 HydrophobicContact CG-CG 4.05Å; W123-F160 HydrophobicContact CH2-CB 4.16Å; W123-F160 HydrophobicContact CZ2-CB 3.91Å; W123-F160 HydrophobicContact CZ3-CB 4.16Å
124	Y	52.7	Low	52.4	Low	47 Å²	47	68.9 Å²	68.9	18%	0.184	39%	0.388	C	S	.	.	H	α-helix	trans	-59.5	-40.7	176.5	-168	-76.5	0	0	0	112	R66 L120 S122 S128 P135	R66-Y124 WeakPolarHBondContact O-CE2 3.34Å; R66-Y124 PolarHBondContact O-OH 3.14Å; L120-Y124 WeakPolarHBondContact O-CB 3.45Å; L120-Y124 PolarHBondContact O-N 3.44Å; S122-Y124 VanDerWaalsContact C-N 3.32Å; S122-Y124 PolarHBondContact O-N 3.18Å; Y124-S128 VanDerWaalsContact O-CB 3.23Å; Y124-S128 WeakPolarHBondContact O-CB 3.48Å; Y124-S128 PolarHBondContact O-N 3.32Å; Y124-S128 PolarHBondContact O-OG 3.32Å; Y124-P135 HydrophobicContact CD2-CG 3.66Å; Y124-P135 HydrophobicContact CE2-CG 3.47Å; Y124-P135 VanDerWaalsContact CE2-CG 3.47Å
125	R	53.8	Low	53	Low	163 Å²	163	67.6 Å²	67.6	62%	0.615	38%	0.38	S	S	*	.	H	α-helix	trans	-63.2	-48.8	177.1	-74.8	173.8	175	-157.5	-1.1	111.7	V121 S122 W123 S128 A129	V121-R125 WeakPolarHBondContact O-CG 3.37Å; V121-R125 PolarHBondContact O-N 3.16Å; S122-R125 WeakPolarHBondContact O-CB 3.34Å; S122-R125 PolarHBondContact O-N 3.38Å; S122-R125 VanDerWaalsContact O-N 3.13Å; W123-R125 VanDerWaalsContact C-N 3.31Å; W123-R125 PolarHBondContact O-N 3.02Å; R125-S128 WeakPolarHBondContact CA-OG 3.43Å; R125-S128 PolarHBondContact O-N 3.45Å; R125-S128 PolarHBondContact O-OG 2.92Å; R125-A129 PolarHBondContact O-N 3.48Å
126	E	52.6	Low	53.4	Low	144 Å²	144	68.5 Å²	68.5	67%	0.673	38%	0.377	S	S	*	.	H	α-helix	trans	-68	-39.5	-178.5	-169	166.7	-145.7	0	0	112.2	S122 W123 A129 S130	S122-E126 PolarHBondContact O-N 2.98Å; S122-E126 VanDerWaalsContact O-N 3.08Å; W123-E126 PolarHBondContact O-N 3.15Å; E126-A129 PolarHBondContact O-N 3.19Å; E126-S130 PolarHBondContact O-N 2.55Å; E126-S130 PolarHBondContact O-OG 3.31Å
127	H	53	Low	53.3	Low	5 Å²	5	67.5 Å²	67.5	2%	0.023	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-47.5	169.4	178.5	81.8	0	0	0	111.3	W123 A129 S130 C131 H133 C154 H158	W123-H127 HydrophobicContact CZ2-CB 4.47Å; W123-H127 WeakPolarHBondContact O-CB 3.44Å; W123-H127 PolarHBondContact O-N 3.29Å; H127-A129 PolarHBondContact O-N 2.8Å; H127-A129 VanDerWaalsContact O-N 3.13Å; H127-S130 PolarHBondContact O-N 3.41Å; H127-S130 PolarHBondContact O-OG 3.38Å; H127-C131 WeakPolarHBondContact CE1-CB 3.49Å; H127-C131 VanDerWaalsContact CE1-SG 3.57Å; H127-C131 PolarHBondContact O-N 2.81Å; H127-H133 PolarHBondContact NE2-O 2.96Å; H127-C154 VanDerWaalsContact CE1-CB 3.43Å; H127-C154 WeakPolarHBondContact CE1-CB 3.36Å; H127-C154 PolarHBondContact CE1-SG 3.45Å; H127-C154 PolarHBondContact NE2-SG 2.94Å; H127-C154 VanDerWaalsContact NE2-SG 3.37Å; H127-H158 AromaticContact CE1-CG 3.88Å; H127-H158 AromaticContact CE1-ND1 3.35Å; H127-H158 PolarHBondContact CE1-ND1 3.47Å; H127-H158 VanDerWaalsContact CE1-ND1 3.35Å; H127-H158 AromaticContact ND1-CG 3.71Å; H127-H158 AromaticContact ND1-ND1 3.01Å; H127-H158 PolarHBondContact ND1-ND1 3.06Å
128	S	55.7	Low	53.4	Low	70 Å²	70	72.5 Å²	72.5	49%	0.49	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-14.9	179.9	71.3	0	0	0	0	115	Y124 R125	Y124-S128 VanDerWaalsContact O-CB 3.23Å; Y124-S128 WeakPolarHBondContact O-CB 3.48Å; Y124-S128 PolarHBondContact O-N 3.32Å; Y124-S128 PolarHBondContact O-OG 3.32Å; R125-S128 WeakPolarHBondContact CA-OG 3.43Å; R125-S128 PolarHBondContact O-N 3.45Å; R125-S128 PolarHBondContact O-OG 2.92Å
129	A	54.8	Low	53.4	Low	92 Å²	92	67.8 Å²	67.8	76%	0.76	37%	0.367	S	S	*	.	H	α-helix	trans	-91.9	-17.8	173.3	0	0	0	0	0	113.3	R125 E126 H127	R125-A129 PolarHBondContact O-N 3.48Å; E126-A129 PolarHBondContact O-N 3.19Å; H127-A129 PolarHBondContact O-N 2.8Å; H127-A129 VanDerWaalsContact O-N 3.13Å
130	S	51.8	Low	53.2	Low	87 Å²	87	69.3 Å²	69.3	61%	0.608	37%	0.371	S	S	*	.	H	α-helix	trans	-115.1	-17.2	-174.3	52.6	0	0	0	0	114	E126 H127	E126-S130 PolarHBondContact O-N 2.55Å; E126-S130 PolarHBondContact O-OG 3.31Å; H127-S130 PolarHBondContact O-N 3.41Å; H127-S130 PolarHBondContact O-OG 3.38Å
131	C	48.2	Very low	52.9	Low	10 Å²	10	73 Å²	73	7%	0.068	39%	0.388	C	S	.	.			trans	-143.4	128.4	-178.5	-178.2	0	0	0	0	110.5	H127 H133 S156	H127-C131 WeakPolarHBondContact CE1-CB 3.49Å; H127-C131 VanDerWaalsContact CE1-SG 3.57Å; H127-C131 PolarHBondContact O-N 2.81Å; C131-H133 VanDerWaalsContact C-N 3.3Å; C131-H133 PolarHBondContact O-N 3.16Å; C131-S156 PolarHBondContact SG-OG 2.95Å; C131-S156 VanDerWaalsContact SG-OG 3.39Å
132	P	52.5	Low	52.6	Low	126 Å²	126	75.3 Å²	75.3	82%	0.818	40%	0.404	S	S	*	.			trans	-80.2	-6.6	-178.9	33	-36	0	0	0	114.1
133	H	51.8	Low	52.4	Low	79 Å²	79	75.9 Å²	75.9	37%	0.366	40%	0.399	S	S	.	.	S	Bend	trans	-87.9	133.6	-177.7	-67.7	-100.8	0	0	0	111.4	H127 C131 P135 C154 E155 S156	H127-H133 PolarHBondContact NE2-O 2.96Å; C131-H133 VanDerWaalsContact C-N 3.3Å; C131-H133 PolarHBondContact O-N 3.16Å; H133-P135 WeakPolarHBondContact O-CD 3.48Å; H133-C154 WeakPolarHBondContact CB-SG 3.46Å; H133-C154 PolarHBondContact O-SG 3.01Å; H133-E155 HydrophobicContact CB-CB 4.41Å; H133-E155 IonicContact CE1-OE2 3.94Å; H133-E155 IonicContact CG-OE2 3.99Å; H133-E155 IonicContact ND1-OE2 3.02Å; H133-E155 PolarHBondContact ND1-OE2 2.97Å; H133-S156 PolarHBondContact CD2-OG 3.43Å
134	E	52.8	Low	51.7	Low	74 Å²	74	78.3 Å²	78.3	35%	0.346	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-74.9	121.8	-175	-168.9	173.4	171.5	0	0	111.6	S68	S68-E134 VanDerWaalsContact CB-OE1 3.23Å; S68-E134 WeakPolarHBondContact CB-OE1 3.48Å; S68-E134 PolarHBondContact N-OE1 2.96Å; S68-E134 PolarHBondContact OG-OE1 3.38Å; S68-E134 PolarHBondContact OG-OE2 3Å
135	P	55	Low	51.6	Low	1 Å²	1	81.3 Å²	81.3	1%	0.006	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-79.9	132.2	-179.6	31.7	-33.3	0	0	0	111.8	W123 Y124 H133 C154	W123-P135 HydrophobicContact CH2-CB 3.57Å; W123-P135 HydrophobicContact CH2-CG 4.06Å; W123-P135 HydrophobicContact CZ3-CB 3.75Å; W123-P135 HydrophobicContact CZ3-CG 3.85Å; Y124-P135 HydrophobicContact CD2-CG 3.66Å; Y124-P135 HydrophobicContact CE2-CG 3.47Å; Y124-P135 VanDerWaalsContact CE2-CG 3.47Å; H133-P135 WeakPolarHBondContact O-CD 3.48Å; P135-C154 HydrophobicContact CB-CB 4.15Å
136	Q	53.4	Low	51.6	Low	83 Å²	83	76.5 Å²	76.5	39%	0.388	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146.5	-175.4	-64.9	169.4	-5.8	0	0	110.9	R138 W152 R153	Q136-R138 PolarHBondContact O-N 3.34Å; Q136-R138 VanDerWaalsContact O-N 3.17Å; Q136-W152 CarbonylContact O-C 3.6Å; Q136-W152 WeakPolarHBondContact O-CA 3.25Å; Q136-R153 PolarHBondContact N-O 2.98Å; Q136-R153 PolarHBondContact O-N 3.35Å
137	L	52.8	Low	51.3	Low	39 Å²	39	70.1 Å²	70.1	20%	0.204	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	110.1	163.9	-179.9	64.5	0	0	0	107.7	L140 A150 W152	L137-L140 HydrophobicContact CD2-CD1 4.28Å; L137-L140 HydrophobicContact CD2-CG 4.42Å; L137-A150 HydrophobicContact CD1-CB 3.95Å; L137-W152 HydrophobicContact CB-CD2 4.04Å; L137-W152 HydrophobicContact CB-CE3 3.82Å; L137-W152 HydrophobicContact CB-CH2 3.93Å; L137-W152 HydrophobicContact CB-CZ2 4.14Å; L137-W152 HydrophobicContact CB-CZ3 3.77Å; L137-W152 HydrophobicContact CD1-CD2 4.09Å; L137-W152 HydrophobicContact CD1-CG 4.34Å; L137-W152 HydrophobicContact CD1-CZ2 4.12Å; L137-W152 HydrophobicContact CD2-CZ2 4.37Å; L137-W152 HydrophobicContact CG-CZ2 4.45Å
138	R	52.8	Low	51.4	Low	157 Å²	157	71.5 Å²	71.5	59%	0.592	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	-26	-174.3	-79.9	-70.8	-176.2	128.5	1.9	113.5	Q136 V151 R153	Q136-R138 PolarHBondContact O-N 3.34Å; Q136-R138 VanDerWaalsContact O-N 3.17Å; R138-V151 PolarHBondContact N-O 3.26Å; R138-R153 HydrophobicContact CG-CB 4.25Å
139	A	50.2	Low	51.3	Low	37 Å²	37	68.1 Å²	68.1	31%	0.306	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.3	176.2	0	0	0	0	0	112.5	E141 V151	A139-E141 HydrophobicContact CB-CG 4.41Å; A139-V151 HydrophobicContact CB-CB 4.36Å; A139-V151 PolarHBondContact N-O 2.88Å; A139-V151 PolarHBondContact O-N 3.23Å
140	L	50.7	Low	51.6	Low	67 Å²	67	64.1 Å²	64.1	35%	0.351	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	110.7	162.1	-78.4	156.9	0	0	0	106.4	L80 L137 P142 A149 A150	L80-L140 HydrophobicContact CD1-CD1 3.67Å; L80-L140 HydrophobicContact CD1-CD2 4.26Å; L137-L140 HydrophobicContact CD2-CD1 4.28Å; L137-L140 HydrophobicContact CD2-CG 4.42Å; L140-P142 WeakPolarHBondContact O-CD 3.49Å; L140-A149 CarbonylContact C-O 3.43Å; L140-A149 WeakPolarHBondContact CA-O 3.49Å; L140-A150 HydrophobicContact CD2-CB 3.71Å
141	E	47.9	Very low	51.9	Low	93 Å²	93	61.1 Å²	61.1	44%	0.435	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	102.6	-177	-69.1	-175.8	174.6	0	0	110.9	A139 K143 A149	A139-E141 HydrophobicContact CB-CG 4.41Å; E141-K143 PolarHBondContact O-N 2.82Å; E141-K143 IonicContact OE2-NZ 3.3Å; E141-K143 PolarHBondContact OE2-NZ 3.26Å; E141-A149 HydrophobicContact CB-CB 4.47Å; E141-A149 PolarHBondContact N-O 3.34Å; E141-A149 PolarHBondContact O-N 3.35Å
142	P	46.9	Very low	52.4	Low	102 Å²	102	60.9 Å²	60.9	66%	0.662	33%	0.333	S	S	*	.			trans	-61	126.6	163.7	-17.8	31.5	0	0	0	109.8	L140	L140-P142 WeakPolarHBondContact O-CD 3.49Å
143	K	50	Low	52.5	Low	75 Å²	75	59.9 Å²	59.9	33%	0.326	31%	0.313	S	S	.	.			trans	-107.4	136.9	167	-69.5	-179.2	177.2	62.3	0	108.6	E141 N145 L146 S147 Y163	E141-K143 PolarHBondContact O-N 2.82Å; E141-K143 IonicContact OE2-NZ 3.3Å; E141-K143 PolarHBondContact OE2-NZ 3.26Å; K143-N145 CarbonylContact O-C 3.57Å; K143-N145 PolarHBondContact O-N 2.73Å; K143-L146 PolarHBondContact O-N 3.33Å; K143-S147 PolarHBondContact N-O 3.41Å; K143-S147 PolarHBondContact O-N 3.02Å; K143-Y163 HydrophobicContact CD-CE1 4.32Å
144	A	45.8	Very low	52.9	Low	94 Å²	94	56.4 Å²	56.4	78%	0.777	30%	0.298	S	S	*	.	S	Bend	trans	-55.1	-22.9	-170.5	0	0	0	0	0	114	L146	A144-L146 VanDerWaalsContact C-N 3.28Å; A144-L146 PolarHBondContact O-N 2.84Å
145	N	51.3	Low	52.9	Low	109 Å²	109	58.9 Å²	58.9	58%	0.583	31%	0.309	S	S	*	.	S	Bend	trans	-88.5	63.4	171.2	-51.7	72.1	0	0	0	109.6	K143 S147 S166 P167	K143-N145 CarbonylContact O-C 3.57Å; K143-N145 PolarHBondContact O-N 2.73Å; N145-S147 PolarHBondContact O-N 3.3Å; N145-S147 PolarHBondContact O-OG 3.49Å; N145-S147 VanDerWaalsContact O-OG 3.06Å; N145-S166 PolarHBondContact O-OG 2.88Å; N145-P167 VanDerWaalsContact C-CD 3.5Å; N145-P167 HydrophobicContact CB-CG 4.43Å
146	L	53	Low	52.5	Low	62 Å²	62	61.4 Å²	61.4	33%	0.325	33%	0.327	S	S	.	.	S	Bend	trans	20.7	13	-168.8	-36	-175.9	0	0	0	121.3	K143 A144 T148 Y165 S166 P167	K143-L146 PolarHBondContact O-N 3.33Å; A144-L146 VanDerWaalsContact C-N 3.28Å; A144-L146 PolarHBondContact O-N 2.84Å; L146-T148 PolarHBondContact O-N 3.44Å; L146-Y165 CarbonylContact C-O 3.58Å; L146-Y165 CarbonylContact O-C 3.42Å; L146-Y165 WeakPolarHBondContact O-CA 3.45Å; L146-Y165 WeakPolarHBondContact O-CB 3.27Å; L146-Y165 PolarHBondContact O-N 3.39Å; L146-Y165 VanDerWaalsContact O-N 3.15Å; L146-S166 WeakPolarHBondContact CD1-O 3.41Å; L146-P167 HydrophobicContact CD1-CB 3.85Å; L146-P167 HydrophobicContact CD2-CB 3.77Å; L146-P167 HydrophobicContact CD2-CG 3.95Å; L146-P167 HydrophobicContact CG-CB 3.48Å; L146-P167 VanDerWaalsContact CG-CB 3.48Å; L146-P167 HydrophobicContact CG-CG 3.67Å
147	S	46.7	Very low	52.4	Low	11 Å²	11	62.6 Å²	62.6	8%	0.077	34%	0.336	C	S	.	.			trans	-92.6	82.5	-175.6	43.7	0	0	0	0	110.7	K143 N145 A149 Y165	K143-S147 PolarHBondContact N-O 3.41Å; K143-S147 PolarHBondContact O-N 3.02Å; N145-S147 PolarHBondContact O-N 3.3Å; N145-S147 PolarHBondContact O-OG 3.49Å; N145-S147 VanDerWaalsContact O-OG 3.06Å; S147-A149 PolarHBondContact O-N 3.17Å; S147-Y165 WeakPolarHBondContact CA-O 3.5Å; S147-Y165 WeakPolarHBondContact CB-O 3.33Å; S147-Y165 PolarHBondContact N-O 3.08Å
148	T	54.5	Low	52.5	Low	33 Å²	33	64.5 Å²	64.5	20%	0.202	34%	0.344	C	S	.	.			trans	-65.1	121.7	170	-60.1	0	0	0	0	110.3	L80 L146 Y163 L164	L80-T148 HydrophobicContact CD2-CG2 4.44Å; L146-T148 PolarHBondContact O-N 3.44Å; T148-Y163 CarbonylContact O-C 3.5Å; T148-Y163 VanDerWaalsContact O-CA 3.22Å; T148-Y163 WeakPolarHBondContact O-CA 3.39Å; T148-L164 HydrophobicContact CG2-CD1 4.35Å; T148-L164 WeakPolarHBondContact O-CG 3.3Å; T148-L164 PolarHBondContact O-N 3.41Å
149	A	55.1	Low	52.7	Low	0 Å²	0	60 Å²	60	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.1	-171.6	0	0	0	0	0	112.8	L140 E141 S147 V161 Q162 Y163	L140-A149 CarbonylContact C-O 3.43Å; L140-A149 WeakPolarHBondContact CA-O 3.49Å; E141-A149 HydrophobicContact CB-CB 4.47Å; E141-A149 PolarHBondContact N-O 3.34Å; E141-A149 PolarHBondContact O-N 3.35Å; S147-A149 PolarHBondContact O-N 3.17Å; A149-V161 HydrophobicContact CB-CG1 4.12Å; A149-Q162 CarbonylContact C-O 3.58Å; A149-Q162 WeakPolarHBondContact CA-O 3.2Å; A149-Y163 HydrophobicContact CB-CD1 3.5Å; A149-Y163 HydrophobicContact CB-CD2 4.33Å; A149-Y163 HydrophobicContact CB-CE1 3.83Å; A149-Y163 HydrophobicContact CB-CG 3.77Å
150	A	60.4	Low	52.8	Low	8 Å²	8	59.7 Å²	59.7	7%	0.066	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.1	168	0	0	0	0	0	110.3	L137 L140 V161 Q162	L137-A150 HydrophobicContact CD1-CB 3.95Å; L140-A150 HydrophobicContact CD2-CB 3.71Å; A150-V161 WeakPolarHBondContact O-CA 3.28Å; A150-Q162 PolarHBondContact N-O 3.02Å; A150-Q162 PolarHBondContact O-N 3.23Å
151	V	58.2	Low	53.1	Low	24 Å²	24	58.2 Å²	58.2	15%	0.145	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.8	-179	180	0	0	0	0	109.8	R138 A139 R153 V161	R138-V151 PolarHBondContact N-O 3.26Å; A139-V151 HydrophobicContact CB-CB 4.36Å; A139-V151 PolarHBondContact N-O 2.88Å; A139-V151 PolarHBondContact O-N 3.23Å; V151-R153 HydrophobicContact CG1-CG 4.19Å; V151-V161 HydrophobicContact CG1-CG2 4.3Å; V151-V161 HydrophobicContact CG2-CG1 3.93Å; V151-V161 HydrophobicContact CG2-CG2 4.16Å
152	W	59.6	Low	53.5	Low	5 Å²	5	54.4 Å²	54.4	2%	0.019	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.2	174.8	-56.9	77.8	0	0	0	108.9	Y77 L120 W123 Q136 L137 S159 F160	Y77-W152 HydrophobicContact CD2-CZ2 4.44Å; Y77-W152 AromaticContact CE2-CZ2 3.99Å; Y77-W152 HydrophobicContact CE2-CZ2 3.99Å; L120-W152 HydrophobicContact CD1-CD2 3.83Å; L120-W152 HydrophobicContact CD1-CE3 4.48Å; L120-W152 HydrophobicContact CD1-CG 3.89Å; L120-W152 HydrophobicContact CD1-CZ2 4.41Å; L120-W152 HydrophobicContact CD2-CD2 4.46Å; L120-W152 HydrophobicContact CD2-CH2 4.18Å; L120-W152 HydrophobicContact CD2-CZ2 3.53Å; W123-W152 HydrophobicContact CH2-CB 4.47Å; W123-W152 HydrophobicContact CZ3-CB 4.21Å; Q136-W152 CarbonylContact O-C 3.6Å; Q136-W152 WeakPolarHBondContact O-CA 3.25Å; L137-W152 HydrophobicContact CB-CD2 4.04Å; L137-W152 HydrophobicContact CB-CE3 3.82Å; L137-W152 HydrophobicContact CB-CH2 3.93Å; L137-W152 HydrophobicContact CB-CZ2 4.14Å; L137-W152 HydrophobicContact CB-CZ3 3.77Å; L137-W152 HydrophobicContact CD1-CD2 4.09Å; L137-W152 HydrophobicContact CD1-CG 4.34Å; L137-W152 HydrophobicContact CD1-CZ2 4.12Å; L137-W152 HydrophobicContact CD2-CZ2 4.37Å; L137-W152 HydrophobicContact CG-CZ2 4.45Å; W152-S159 VanDerWaalsContact O-CA 3.3Å; W152-S159 WeakPolarHBondContact O-CA 3.37Å; W152-F160 HydrophobicContact CB-CB 4.47Å; W152-F160 PolarHBondContact N-O 3.08Å; W152-F160 PolarHBondContact O-N 2.97Å
153	R	54.5	Low	53.9	Low	104 Å²	104	50.9 Å²	50.9	39%	0.392	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.8	174.3	-65.7	-174.7	76.5	149	-2.7	111.8	Q136 R138 V151 D157 H158	Q136-R153 PolarHBondContact N-O 2.98Å; Q136-R153 PolarHBondContact O-N 3.35Å; R138-R153 HydrophobicContact CG-CB 4.25Å; V151-R153 HydrophobicContact CG1-CG 4.19Å; R153-D157 IonicContact CZ-OD1 3.59Å; R153-D157 IonicContact NE-OD1 3.81Å; R153-D157 IonicContact NH2-OD1 2.64Å; R153-D157 PolarHBondContact NH2-OD1 3.03Å; R153-H158 CarbonylContact C-O 3.59Å; R153-H158 WeakPolarHBondContact CA-O 3.44Å
154	C	58.5	Low	54.3	Low	7 Å²	7	49.6 Å²	49.6	5%	0.047	27%	0.274	C	S	.	.			trans	-90.8	160.9	166.3	-170.5	0	0	0	0	110.7	H127 H133 P135 S156 D157 H158	H127-C154 VanDerWaalsContact CE1-CB 3.43Å; H127-C154 WeakPolarHBondContact CE1-CB 3.36Å; H127-C154 PolarHBondContact CE1-SG 3.45Å; H127-C154 PolarHBondContact NE2-SG 2.94Å; H127-C154 VanDerWaalsContact NE2-SG 3.37Å; H133-C154 WeakPolarHBondContact CB-SG 3.46Å; H133-C154 PolarHBondContact O-SG 3.01Å; P135-C154 HydrophobicContact CB-CB 4.15Å; C154-S156 PolarHBondContact O-N 3.3Å; C154-D157 PolarHBondContact O-N 3.42Å; C154-H158 HydrophobicContact CB-CB 3.98Å; C154-H158 PolarHBondContact N-O 3.36Å
155	E	54.3	Low	54.3	Low	126 Å²	126	48.3 Å²	48.3	59%	0.589	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-25.9	173.1	-58.9	-178.1	142.8	0	0	112.6	H133 D157	H133-E155 HydrophobicContact CB-CB 4.41Å; H133-E155 IonicContact CE1-OE2 3.94Å; H133-E155 IonicContact CG-OE2 3.99Å; H133-E155 IonicContact ND1-OE2 3.02Å; H133-E155 PolarHBondContact ND1-OE2 2.97Å; E155-D157 PolarHBondContact O-N 3.24Å
156	S	46	Very low	53.7	Low	53 Å²	53	44.1 Å²	44.1	37%	0.371	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	29.9	170.6	-45.5	0	0	0	0	113.1	C131 H133 C154 H158	C131-S156 PolarHBondContact SG-OG 2.95Å; C131-S156 VanDerWaalsContact SG-OG 3.39Å; H133-S156 PolarHBondContact CD2-OG 3.43Å; C154-S156 PolarHBondContact O-N 3.3Å; S156-H158 PolarHBondContact O-CD2 2.82Å; S156-H158 VanDerWaalsContact O-CD2 3.27Å; S156-H158 PolarHBondContact O-N 2.96Å
157	D	50.5	Low	53.1	Low	109 Å²	109	43.8 Å²	43.8	58%	0.583	23%	0.23	S	C	*	.	S	Bend	trans	57.7	-0.6	177.9	-100.2	-21	0	0	0	118.9	R153 C154 E155 S159	R153-D157 IonicContact CZ-OD1 3.59Å; R153-D157 IonicContact NE-OD1 3.81Å; R153-D157 IonicContact NH2-OD1 2.64Å; R153-D157 PolarHBondContact NH2-OD1 3.03Å; C154-D157 PolarHBondContact O-N 3.42Å; E155-D157 PolarHBondContact O-N 3.24Å; D157-S159 PolarHBondContact O-N 3.3Å
158	H	55.8	Low	52.7	Low	79 Å²	79	49.3 Å²	49.3	37%	0.366	27%	0.266	S	S	.	.			trans	-56.6	133.5	169.7	-65.1	-172.8	0	0	0	110.5	W123 H127 R153 C154 S156	W123-H158 HydrophobicContact CZ2-CB 4.35Å; H127-H158 AromaticContact CE1-CG 3.88Å; H127-H158 AromaticContact CE1-ND1 3.35Å; H127-H158 PolarHBondContact CE1-ND1 3.47Å; H127-H158 VanDerWaalsContact CE1-ND1 3.35Å; H127-H158 AromaticContact ND1-CG 3.71Å; H127-H158 AromaticContact ND1-ND1 3.01Å; H127-H158 PolarHBondContact ND1-ND1 3.06Å; R153-H158 CarbonylContact C-O 3.59Å; R153-H158 WeakPolarHBondContact CA-O 3.44Å; C154-H158 HydrophobicContact CB-CB 3.98Å; C154-H158 PolarHBondContact N-O 3.36Å; S156-H158 PolarHBondContact O-CD2 2.82Å; S156-H158 VanDerWaalsContact O-CD2 3.27Å; S156-H158 PolarHBondContact O-N 2.96Å
159	S	55.8	Low	52	Low	61 Å²	61	55.9 Å²	55.9	43%	0.427	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.9	-173.6	59	0	0	0	0	113.6	W152 D157	W152-S159 VanDerWaalsContact O-CA 3.3Å; W152-S159 WeakPolarHBondContact O-CA 3.37Å; D157-S159 PolarHBondContact O-N 3.3Å
160	F	53	Low	51.2	Low	32 Å²	32	63 Å²	63	14%	0.14	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138	179.3	178.7	-95.4	0	0	0	110.4	L120 W123 W152 Q162	L120-F160 HydrophobicContact CB-CE1 4Å; L120-F160 HydrophobicContact CD1-CD1 3.72Å; L120-F160 HydrophobicContact CD1-CE1 3.87Å; W123-F160 HydrophobicContact CB-CD2 4.07Å; W123-F160 HydrophobicContact CB-CE2 4.27Å; W123-F160 HydrophobicContact CB-CG 4.48Å; W123-F160 HydrophobicContact CD2-CB 3.63Å; W123-F160 HydrophobicContact CD2-CD2 4.23Å; W123-F160 AromaticContact CD2-CG 3.98Å; W123-F160 HydrophobicContact CD2-CG 3.98Å; W123-F160 HydrophobicContact CE3-CB 3.9Å; W123-F160 HydrophobicContact CE3-CG 4.26Å; W123-F160 HydrophobicContact CG-CB 4.12Å; W123-F160 AromaticContact CG-CD2 3.81Å; W123-F160 HydrophobicContact CG-CD2 3.81Å; W123-F160 HydrophobicContact CG-CE2 4.49Å; W123-F160 HydrophobicContact CG-CG 4.05Å; W123-F160 HydrophobicContact CH2-CB 4.16Å; W123-F160 HydrophobicContact CZ2-CB 3.91Å; W123-F160 HydrophobicContact CZ3-CB 4.16Å; W152-F160 HydrophobicContact CB-CB 4.47Å; W152-F160 PolarHBondContact N-O 3.08Å; W152-F160 PolarHBondContact O-N 2.97Å; F160-Q162 HydrophobicContact CE1-CB 4.2Å
161	V	56.6	Low	49.7	Very low	36 Å²	36	70.3 Å²	70.3	22%	0.218	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.8	-172.4	-168.6	0	0	0	0	112.1	A149 A150 V151 Y163	A149-V161 HydrophobicContact CB-CG1 4.12Å; A150-V161 WeakPolarHBondContact O-CA 3.28Å; V151-V161 HydrophobicContact CG1-CG2 4.3Å; V151-V161 HydrophobicContact CG2-CG1 3.93Å; V151-V161 HydrophobicContact CG2-CG2 4.16Å; V161-Y163 HydrophobicContact CB-CE2 4.1Å; V161-Y163 HydrophobicContact CG1-CD2 3.93Å; V161-Y163 HydrophobicContact CG1-CE2 3.39Å
162	Q	58	Low	48.6	Very low	13 Å²	13	74.4 Å²	74.4	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.3	-177.2	-179.3	-175.5	-5.1	0	0	109.5	S116 A149 A150 F160	S116-Q162 PolarHBondContact O-NE2 3.47Å; A149-Q162 CarbonylContact C-O 3.58Å; A149-Q162 WeakPolarHBondContact CA-O 3.2Å; A150-Q162 PolarHBondContact N-O 3.02Å; A150-Q162 PolarHBondContact O-N 3.23Å; F160-Q162 HydrophobicContact CE1-CB 4.2Å
163	Y	54.8	Low	47.3	Very low	27 Å²	27	79.9 Å²	79.9	11%	0.106	42%	0.42	C	S	.	.			trans	-110	170.8	-176.3	-43.4	-132.7	0	0	0	111.8	Q112 R113 V114 K143 T148 A149 V161	Q112-Y163 WeakPolarHBondContact O-CE2 3.18Å; R113-Y163 HydrophobicContact CG-CE2 4.4Å; V114-Y163 WeakPolarHBondContact CG1-O 3.45Å; V114-Y163 VanDerWaalsContact CG2-CB 3.5Å; V114-Y163 HydrophobicContact CG2-CD2 3.88Å; V114-Y163 HydrophobicContact CG2-CG 4.03Å; K143-Y163 HydrophobicContact CD-CE1 4.32Å; T148-Y163 CarbonylContact O-C 3.5Å; T148-Y163 VanDerWaalsContact O-CA 3.22Å; T148-Y163 WeakPolarHBondContact O-CA 3.39Å; A149-Y163 HydrophobicContact CB-CD1 3.5Å; A149-Y163 HydrophobicContact CB-CD2 4.33Å; A149-Y163 HydrophobicContact CB-CE1 3.83Å; A149-Y163 HydrophobicContact CB-CG 3.77Å; V161-Y163 HydrophobicContact CB-CE2 4.1Å; V161-Y163 HydrophobicContact CG1-CD2 3.93Å; V161-Y163 HydrophobicContact CG1-CE2 3.39Å
164	L	57.8	Low	46.4	Very low	49 Å²	49	78.3 Å²	78.3	26%	0.257	43%	0.425	S	S	.	.			trans	-117.5	-63.5	-169.5	-60.7	172.4	0	0	0	117.1	T148	T148-L164 HydrophobicContact CG2-CD1 4.35Å; T148-L164 WeakPolarHBondContact O-CG 3.3Å; T148-L164 PolarHBondContact O-N 3.41Å
165	Y	46.4	Very low	45.2	Very low	66 Å²	66	82 Å²	82	26%	0.259	44%	0.442	S	S	.	.			trans	-143.1	-170.1	-172.2	-58.1	-60.5	0	0	0	117.2	T84 L146 S147 S359	T84-Y165 HydrophobicContact CG2-CE2 3.62Å; L146-Y165 CarbonylContact C-O 3.58Å; L146-Y165 CarbonylContact O-C 3.42Å; L146-Y165 WeakPolarHBondContact O-CA 3.45Å; L146-Y165 WeakPolarHBondContact O-CB 3.27Å; L146-Y165 PolarHBondContact O-N 3.39Å; L146-Y165 VanDerWaalsContact O-N 3.15Å; S147-Y165 WeakPolarHBondContact CA-O 3.5Å; S147-Y165 WeakPolarHBondContact CB-O 3.33Å; S147-Y165 PolarHBondContact N-O 3.08Å; Y165-S359 WeakPolarHBondContact CD1-O 3.27Å; Y165-S359 WeakPolarHBondContact CD2-O 3.4Å; Y165-S359 VanDerWaalsContact CE2-O 3.24Å; Y165-S359 WeakPolarHBondContact CE2-O 3.46Å
166	S	39	Very low	44.1	Very low	22 Å²	22	84 Å²	84	15%	0.154	44%	0.444	C	S	.	.			trans	-153.4	165.6	172.5	-83.4	0	0	0	0	114.6	N145 L146 E357 S358	N145-S166 PolarHBondContact O-OG 2.88Å; L146-S166 WeakPolarHBondContact CD1-O 3.41Å; S166-E357 PolarHBondContact OG-OE2 3.3Å; S166-E357 VanDerWaalsContact OG-OE2 3.06Å; S166-S358 WeakPolarHBondContact CB-OG 3.42Å; S166-S358 VanDerWaalsContact O-CB 3.26Å; S166-S358 WeakPolarHBondContact O-CB 3.27Å; S166-S358 PolarHBondContact O-OG 3.47Å
167	P	40.1	Very low	43.6	Very low	55 Å²	55	87.8 Å²	87.8	36%	0.357	46%	0.456	S	S	.	.			trans	-132.8	169.2	-168.6	32.4	-12.7	0	0	0	120	N145 L146	N145-P167 VanDerWaalsContact C-CD 3.5Å; N145-P167 HydrophobicContact CB-CG 4.43Å; L146-P167 HydrophobicContact CD1-CB 3.85Å; L146-P167 HydrophobicContact CD2-CB 3.77Å; L146-P167 HydrophobicContact CD2-CG 3.95Å; L146-P167 HydrophobicContact CG-CB 3.48Å; L146-P167 VanDerWaalsContact CG-CB 3.48Å; L146-P167 HydrophobicContact CG-CG 3.67Å
168	P	37.4	Very low	42.9	Very low	126 Å²	126	89.1 Å²	89.1	82%	0.818	46%	0.459	S	S	*	.			trans	-131.1	175.5	139.5	39.3	-26.8	0	0	0	113.9
169	K	39.5	Very low	41.8	Very low	172 Å²	172	95.7 Å²	95.7	75%	0.748	48%	0.48	S	S	*	.			cis	-171.5	107.6	-38	-179	-111.5	163.6	-161.2	0	112.8
170	E	39.5	Very low	40.5	Very low	150 Å²	150	96.4 Å²	96.4	70%	0.701	50%	0.497	S	S	*	.			trans	69.5	154.2	152.5	-71.8	-60.7	152.5	0	0	125.2
171	I	28.6	Very low	39.5	Very low	160 Å²	160	101.8 Å²	101.8	82%	0.821	53%	0.527	S	S	*	.			trans	108.5	127.5	166.7	-55.3	163.6	0	0	0	116.3
172	S	35.7	Very low	39.3	Very low	110 Å²	110	104.9 Å²	104.9	77%	0.769	55%	0.548	S	S	*	.			trans	-132.9	-175.4	-158.8	-49.6	0	0	0	0	114.4
173	D	32.1	Very low	38.3	Very low	121 Å²	121	111 Å²	111	65%	0.647	58%	0.581	S	S	*	*			cis	-136.2	-106.7	16.8	-178	-145.6	0	0	0	115.3	K97	K97-D173 WeakPolarHBondContact CE-OD1 3.44Å; K97-D173 WeakPolarHBondContact CE-OD2 3.39Å; K97-D173 IonicContact NZ-OD1 3.32Å; K97-D173 PolarHBondContact NZ-OD1 3.35Å; K97-D173 IonicContact NZ-OD2 3.21Å
174	S	34	Very low	37.3	Very low	71 Å²	71	115.3 Å²	115.3	50%	0.497	62%	0.615	S	S	.	*			cis	-147.6	-126.2	8.3	66	0	0	0	0	114.4	K96 K97	K96-S174 WeakPolarHBondContact CE-O 3.49Å; K97-S174 WeakPolarHBondContact CE-O 3.25Å; K97-S174 PolarHBondContact NZ-O 3.33Å
175	E	34.6	Very low	36.2	Very low	83 Å²	83	121 Å²	121	39%	0.388	65%	0.646	S	S	.	*			trans	-129.4	170	-165.7	-66	-71	91.9	0	0	112.6	K96 K97	K96-E175 VanDerWaalsContact CE-C 3.44Å; K96-E175 WeakPolarHBondContact CE-O 3.36Å; K96-E175 PolarHBondContact NZ-O 2.9Å; K97-E175 IonicContact NZ-OE1 2.65Å; K97-E175 PolarHBondContact NZ-OE1 3.12Å
176	R	30.4	Very low	35.5	Very low	170 Å²	170	121.7 Å²	121.7	64%	0.642	67%	0.673	S	S	*	*			cis	-154.1	-171.8	7	-138.8	154.1	-155.4	-46.7	-51.3	114.9
177	E	36.6	Very low	35.1	Very low	131 Å²	131	129.6 Å²	129.6	61%	0.612	71%	0.707	S	S	*	*			trans	-80.2	-165.8	-176.4	-57.6	88.7	-86.6	0	0	115.7
178	E	34.8	Very low	34.7	Very low	138 Å²	138	131 Å²	131	65%	0.645	72%	0.724	S	S	*	*			cis	-169.2	176.3	24.5	-163	-121.6	106.1	0	0	114.3
179	R	34	Very low	34.4	Very low	217 Å²	217	129.2 Å²	129.2	82%	0.819	72%	0.719	S	S	*	*			trans	79	142.2	162.8	-144.9	154.3	-67.9	-145.9	2.5	120.3
180	G	27.7	Very low	33.8	Very low	75 Å²	75	128 Å²	128	77%	0.773	72%	0.721	S	S	*	*			cis	-169.9	-179.8	-1.1	0	0	0	0	0	114.6
181	N	31.9	Very low	33.4	Very low	146 Å²	146	129.9 Å²	129.9	78%	0.781	73%	0.727	S	S	*	*			trans	-99.7	-168.9	-167.4	-131.1	39.6	0	0	0	114.2
182	P	52	Low	33.2	Very low	100 Å²	100	128.6 Å²	128.6	65%	0.649	73%	0.726	S	S	*	*			cis	-142.7	167.5	-6.4	39.9	-19	0	0	0	120.1
183	D	36.5	Very low	32.6	Very low	141 Å²	141	131.6 Å²	131.6	75%	0.754	73%	0.728	S	S	*	*			trans	40.4	143	136.4	-42.8	-23.1	0	0	0	127.8
184	S	33.7	Very low	33.5	Very low	118 Å²	118	130.9 Å²	130.9	83%	0.825	73%	0.73	S	S	*	*			trans	176	148.6	130.3	-167.9	0	0	0	0	114.5
185	D	36.1	Very low	34	Very low	169 Å²	169	133.3 Å²	133.3	90%	0.904	75%	0.745	S	S	*	*			trans	-121.5	175.7	-169.4	-62.4	-72.4	0	0	0	116.4
186	G	30.6	Very low	33.6	Very low	80 Å²	80	134.5 Å²	134.5	83%	0.825	76%	0.762	S	S	*	*			trans	175.3	143	168.1	0	0	0	0	0	116.1
187	E	31.6	Very low	33.5	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.883	76%	0.763	S	S	*	*			trans	-144.3	151.7	-149.6	-151.3	-162.2	120.6	0	0	118.1
188	A	31.8	Very low	33.1	Very low	85 Å²	85	135.1 Å²	135.1	70%	0.702	78%	0.776	S	S	*	*			trans	56.7	179.8	150.5	0	0	0	0	0	122.8
189	A	30.3	Very low	32.6	Very low	87 Å²	87	132 Å²	132	72%	0.719	78%	0.781	S	S	*	*				-173.7	149.7	-67.2	0	0	0	0	0	112.9
190	N	27	Very low	32.1	Very low	147 Å²	147	127 Å²	127	79%	0.786	79%	0.786	S	S	*	*			trans	175	142.7	155.1	-91.5	-36.1	0	0	0	110.4
191	K	31.8	Very low	32	Very low	190 Å²	190	128.7 Å²	128.7	83%	0.826	79%	0.793	S	S	*	*				80.5	132	50.8	-73.6	-173	-176.4	169.3	0	113.5
192	T	23.8	Very low	31.5	Very low	132 Å²	132	125.1 Å²	125.1	81%	0.81	79%	0.79	S	S	*	*			cis	-150.4	172.3	16.5	-55.7	0	0	0	0	112.9
193	E	24.3	Very low	30.2	Very low	173 Å²	173	131.8 Å²	131.8	81%	0.808	80%	0.802	S	S	*	*			trans	-82.4	-157.9	176.7	-26	174.6	121.7	0	0	114.7
194	P	51	Low	29.6	Very low	106 Å²	106	132.6 Å²	132.6	69%	0.688	80%	0.802	S	S	*	*			cis	-130	-149.5	-29.9	38.2	-17.2	0	0	0	110.3
195	P	44	Very low	29.2	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	81%	0.806	S	S	*	*			cis	-133	-179.7	-11.6	42.5	-23.6	0	0	0	118
196	S	25.3	Very low	28.7	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	80%	0.802	S	S	*	*			trans	-72.8	164.4	-175.2	-180	0	0	0	0	117.8
197	V	28.4	Very low	28.6	Very low	110 Å²	110	144.6 Å²	144.6	67%	0.667	80%	0.796	S	S	*	*				168.7	123.4	119.7	155.2	0	0	0	0	115.5
198	K	28.5	Very low	28.4	Very low	205 Å²	205	142.5 Å²	142.5	89%	0.891	79%	0.786	S	S	*	*			trans	60	156.2	161.1	-65.9	160.1	-164.6	168.4	0	119
199	G	23.9	Very low	28.1	Very low	72 Å²	72	141.6 Å²	141.6	74%	0.742	79%	0.785	S	S	*	*			cis	163.4	169.4	-10.9	0	0	0	0	0	115.1
200	A	24.4	Very low	27.9	Very low	113 Å²	113	146.5 Å²	146.5	93%	0.934	79%	0.792	S	S	*	*			trans	79.9	123.6	162	0	0	0	0	0	122.3
201	A	24.9	Very low	27.9	Very low	110 Å²	110	148.6 Å²	148.6	91%	0.909	79%	0.794	S	S	*	*			trans	-67.2	168.4	178.5	0	0	0	0	0	119
202	G	22.8	Very low	27.5	Very low	70 Å²	70	148.5 Å²	148.5	72%	0.722	79%	0.794	S	S	*	*				144.5	131	128	0	0	0	0	0	120.2
203	R	23.6	Very low	27.6	Very low	241 Å²	241	146.2 Å²	146.2	91%	0.909	78%	0.783	S	S	*	*			trans	63.3	172.6	158.9	-72.1	-179.5	173.5	176.9	-1.4	118
204	Q	24.8	Very low	27.5	Very low	158 Å²	158	145.4 Å²	145.4	74%	0.738	78%	0.777	S	S	*	*			cis	170	146	-39.9	-175.2	179.3	16.1	0	0	108.3
205	R	23.8	Very low	26.2	Very low	240 Å²	240	145.3 Å²	145.3	91%	0.906	77%	0.77	S	S	*	*			trans	96.3	165.6	175.6	-66.1	178.2	153.4	-167.3	-4.4	115.9
206	R	27.1	Very low	25.3	Very low	219 Å²	219	146.2 Å²	146.2	83%	0.826	76%	0.764	S	S	*	*			cis	173.4	177.4	-38.4	-147.3	-175.4	-170.8	-161.7	3.9	107.8
207	K	27.4	Very low	25.3	Very low	159 Å²	159	148.1 Å²	148.1	69%	0.691	77%	0.765	S	S	*	*			trans	80.7	148.7	168.3	-72.3	-163.5	169.3	-74.6	0	116.6
208	E	26.8	Very low	25.1	Very low	145 Å²	145	149.2 Å²	149.2	68%	0.678	77%	0.772	S	S	*	*			cis	-172.3	157.4	-26.6	-125.5	160.9	-136.7	0	0	112
209	G	26.3	Very low	24.8	Very low	66 Å²	66	146.2 Å²	146.2	68%	0.68	77%	0.766	S	S	*	*			trans	86.1	166.3	158.7	0	0	0	0	0	118.4
210	H	26.2	Very low	24.9	Very low	190 Å²	190	146.1 Å²	146.1	88%	0.88	76%	0.757	S	S	*	*			cis	-166.9	168.9	-12.9	-140.9	-101.2	0	0	0	112.4
211	K	26.7	Very low	24.9	Very low	191 Å²	191	147.4 Å²	147.4	83%	0.83	75%	0.754	S	S	*	*			trans	70.5	137.9	-179.7	-69.9	-179.9	173.6	177.5	0	115.8
212	K	24.2	Very low	24.9	Very low	188 Å²	188	149.9 Å²	149.9	82%	0.817	75%	0.752	S	S	*	*			cis	85.4	134.7	23.2	-166.5	177	-176.9	175.9	0	114.4
213	C	24.7	Very low	25	Very low	84 Å²	84	155.4 Å²	155.4	57%	0.568	76%	0.759	S	S	*	*			cis	-114.5	-149.7	-2.4	-135.2	0	0	0	0	109.2
214	K	23.1	Very low	25	Very low	157 Å²	157	150 Å²	150	68%	0.683	75%	0.753	S	S	*	*			cis	-161.7	160.1	-1.8	-128	-179.1	161.9	-70.5	0	103.2
215	D	23.5	Very low	24.9	Very low	103 Å²	103	149.4 Å²	149.4	55%	0.551	75%	0.75	S	S	*	*			cis	-142.2	165.9	3	-95	-63.6	0	0	0	106.6
216	E	25.3	Very low	25	Very low	142 Å²	142	145.2 Å²	145.2	66%	0.664	74%	0.739	S	S	*	*			cis	85.5	133.3	16.8	-53.2	149.7	83.8	0	0	114.4
217	L	24.9	Very low	24.8	Very low	148 Å²	148	142.4 Å²	142.4	78%	0.775	74%	0.74	S	S	*	*			cis	-170.5	152	-28.6	-179.4	60.3	0	0	0	109.6
218	T	25.3	Very low	24.5	Very low	133 Å²	133	137.9 Å²	137.9	82%	0.816	74%	0.739	S	S	*	*			trans	153.7	142.4	138.2	40.4	0	0	0	0	111.7
219	D	22.1	Very low	24.4	Very low	142 Å²	142	137 Å²	137	76%	0.759	75%	0.748	S	S	*	*			cis	-151.7	168.6	-26.8	-163.3	8	0	0	0	109
220	A	24.9	Very low	24.3	Very low	69 Å²	69	143.4 Å²	143.4	57%	0.57	76%	0.76	S	S	*	*			trans	-79.1	165.6	174.7	0	0	0	0	0	111.6
221	T	24.9	Very low	24.2	Very low	141 Å²	141	141 Å²	141	87%	0.865	75%	0.754	S	S	*	*				-172	170.4	81.3	24.9	0	0	0	0	113
222	N	24	Very low	24.2	Very low	161 Å²	161	140.5 Å²	140.5	86%	0.861	76%	0.755	S	S	*	*			trans	-79.7	164.4	-177.4	-81.6	-42.5	0	0	0	114.5
223	Q	25.6	Very low	24.4	Very low	187 Å²	187	140.2 Å²	140.2	87%	0.874	76%	0.756	S	S	*	*			trans	-59.5	149.7	177	-56.3	160.9	6.5	0	0	113.6
224	T	22.6	Very low	24.9	Very low	128 Å²	128	142 Å²	142	79%	0.785	77%	0.766	S	S	*	*			trans	-152	123.5	153.4	-46	0	0	0	0	112
225	E	23.8	Very low	25	Very low	145 Å²	145	143.7 Å²	143.7	68%	0.678	77%	0.769	S	S	*	*			trans	26.8	138	156.6	-60.6	-160.8	130.2	0	0	125.6
226	K	24.8	Very low	25.1	Very low	152 Å²	152	145.5 Å²	145.5	66%	0.661	78%	0.777	S	S	*	*			trans	91.8	146.2	132.4	-82.5	163.1	-169.6	150	0	122.6
227	D	23.4	Very low	25.2	Very low	160 Å²	160	145.2 Å²	145.2	86%	0.856	78%	0.776	S	S	*	*			trans	56.3	147.3	168.5	-55.2	-29.6	0	0	0	118.5
228	G	22.7	Very low	25.2	Very low	64 Å²	64	142.1 Å²	142.1	66%	0.66	77%	0.771	S	S	*	*			cis	176.6	-177.6	-4.1	0	0	0	0	0	112
229	S	24.7	Very low	25.3	Very low	125 Å²	125	141.4 Å²	141.4	87%	0.874	77%	0.772	S	S	*	*			trans	69.5	95.1	168.7	-56	0	0	0	0	119.2
230	Q	24.1	Very low	25.4	Very low	202 Å²	202	139.9 Å²	139.9	94%	0.944	77%	0.772	S	S	*	*			trans	-81.7	131.6	134	-70.8	179.5	-29.6	0	0	108.5
231	N	23.6	Very low	25.5	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	78%	0.778	S	S	*	*			trans	-165.7	116.5	146.4	-158.5	-2.4	0	0	0	113.4
232	Q	26.2	Very low	25.7	Very low	181 Å²	181	141.6 Å²	141.6	85%	0.846	78%	0.777	S	S	*	*				168.1	124.7	125.5	-91.2	157.8	106.9	0	0	112.6
233	Q	27.9	Very low	25.7	Very low	182 Å²	182	140.6 Å²	140.6	85%	0.85	78%	0.777	S	S	*	*			trans	-114	157.1	151.6	-67.2	-175.1	-46.1	0	0	107.6
234	P	35.3	Very low	25.7	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	77%	0.772	S	S	*	*				-126.3	149	89.6	3	19.8	0	0	0	112.5
235	R	24.9	Very low	26	Very low	193 Å²	193	138.3 Å²	138.3	73%	0.728	78%	0.777	S	S	*	*				59.1	121.3	78	-161.3	172	176.8	171.3	-0.7	111.9	E237	R235-E237 IonicContact CZ-OE1 3.19Å; R235-E237 VanDerWaalsContact CZ-OE1 3.26Å; R235-E237 IonicContact NE-OE1 2.76Å; R235-E237 PolarHBondContact NE-OE1 3.16Å; R235-E237 IonicContact NH2-OE1 2.74Å; R235-E237 PolarHBondContact NH2-OE1 3.2Å
236	I	26.2	Very low	26.5	Very low	142 Å²	142	136.8 Å²	136.8	73%	0.728	78%	0.78	S	S	*	*				-156.3	130.6	78.2	-78.7	164	0	0	0	112.1
237	E	27	Very low	26.5	Very low	136 Å²	136	133.4 Å²	133.4	64%	0.636	78%	0.781	S	S	*	*			trans	35	150.7	130.1	-46.1	167.8	-166.3	0	0	121.2	R235	R235-E237 IonicContact CZ-OE1 3.19Å; R235-E237 VanDerWaalsContact CZ-OE1 3.26Å; R235-E237 IonicContact NE-OE1 2.76Å; R235-E237 PolarHBondContact NE-OE1 3.16Å; R235-E237 IonicContact NH2-OE1 2.74Å; R235-E237 PolarHBondContact NH2-OE1 3.2Å
238	A	25.1	Very low	26.6	Very low	83 Å²	83	138.2 Å²	138.2	69%	0.686	79%	0.787	S	S	*	*			cis	-158	161.5	13.3	0	0	0	0	0	113.9
239	S	26.8	Very low	26.7	Very low	118 Å²	118	143.1 Å²	143.1	83%	0.825	80%	0.798	S	S	*	*			trans	59.1	155.8	150.8	-60.6	0	0	0	0	120.3
240	S	26.1	Very low	26.8	Very low	110 Å²	110	142.1 Å²	142.1	77%	0.769	80%	0.797	S	S	*	*			cis	178	157.7	-16.7	52.6	0	0	0	0	108.5
241	A	26.4	Very low	26.7	Very low	83 Å²	83	137.4 Å²	137.4	69%	0.686	79%	0.793	S	S	*	*			cis	-175.7	167.8	-21	0	0	0	0	0	109
242	L	28.4	Very low	26.8	Very low	163 Å²	163	136.3 Å²	136.3	85%	0.853	80%	0.796	S	S	*	*			trans	68.9	155.1	174	-51.8	170.9	0	0	0	115.4
243	T	24.5	Very low	26.7	Very low	139 Å²	139	135 Å²	135	85%	0.853	79%	0.794	S	S	*	*			cis	-156.4	161.1	0.6	-9.1	0	0	0	0	110.1
244	G	24.9	Very low	26.5	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	79%	0.792	S	S	*	*			trans	127.1	106.6	148.7	0	0	0	0	0	119.8
245	Q	28.5	Very low	26	Very low	194 Å²	194	134.3 Å²	134.3	91%	0.907	79%	0.792	S	S	*	*			trans	-136.3	167.2	152	-99.5	-165	-40	0	0	106.1
246	P	36.2	Very low	25.9	Very low	112 Å²	112	129.9 Å²	129.9	73%	0.727	80%	0.798	S	S	*	*			cis	-147.4	-170.4	31.5	44.3	-23.6	0	0	0	117.1
247	A	23.1	Very low	25.7	Very low	82 Å²	82	128.9 Å²	128.9	68%	0.678	80%	0.803	S	S	*	*			trans	49.2	140.7	142.7	0	0	0	0	0	122.9
248	W	26.8	Very low	25.7	Very low	261 Å²	261	127.1 Å²	127.1	99%	0.989	81%	0.812	S	S	*	*			trans	-132.3	146.7	158	-75	-21.6	0	0	0	110.8
249	D	23.9	Very low	25.8	Very low	166 Å²	166	132.9 Å²	132.9	89%	0.888	82%	0.824	S	S	*	*			trans	-90	170.7	-172.4	-74.5	-72	0	0	0	114.8
250	A	26.6	Very low	25.9	Very low	104 Å²	104	136.3 Å²	136.3	86%	0.86	83%	0.827	S	S	*	*			trans	-93.9	139.2	171	0	0	0	0	0	112
251	A	23.4	Very low	26	Very low	103 Å²	103	138.3 Å²	138.3	85%	0.851	83%	0.825	S	S	*	*			trans	-145.6	125	165.9	0	0	0	0	0	111.2
252	S	24.6	Very low	26	Very low	116 Å²	116	142.9 Å²	142.9	81%	0.811	83%	0.832	S	S	*	*			trans	-107.1	142.9	163.2	-64.9	0	0	0	0	108.2
253	L	24.2	Very low	26.4	Very low	154 Å²	154	138.2 Å²	138.2	81%	0.806	82%	0.823	S	S	*	*			trans	-156.1	141.8	146.8	-91.4	-164.2	0	0	0	113.6
254	H	24.3	Very low	26.5	Very low	173 Å²	173	135.9 Å²	135.9	80%	0.801	82%	0.818	S	S	*	*			trans	56.3	133.1	159.4	-69.4	-65.1	0	0	0	123.9
255	S	24.6	Very low	26.7	Very low	114 Å²	114	137 Å²	137	80%	0.797	82%	0.82	S	S	*	*			trans	-82.4	155	165.8	-37.6	0	0	0	0	112.2
256	A	22	Very low	26.7	Very low	101 Å²	101	135.4 Å²	135.4	84%	0.835	82%	0.817	S	S	*	*			trans	-116.6	160	149.9	0	0	0	0	0	108.9
257	S	23.2	Very low	26.4	Very low	120 Å²	120	136.8 Å²	136.8	84%	0.839	81%	0.813	S	S	*	*			trans	-146.9	108.8	-179.7	-65.2	0	0	0	0	111.7
258	A	25.5	Very low	26.6	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	80%	0.803	S	S	*	*			trans	-158.9	107.6	165.7	0	0	0	0	0	108.2
259	E	28.9	Very low	26.7	Very low	203 Å²	203	130.9 Å²	130.9	95%	0.949	80%	0.795	S	S	*	*			trans	-141.7	143.5	164.9	-75.3	-165.5	146.3	0	0	108.9
260	E	27	Very low	26.9	Very low	190 Å²	190	128.8 Å²	128.8	89%	0.888	78%	0.783	S	S	*	*			trans	-90.6	156.6	-173.3	-57.9	175.7	127.3	0	0	110.7	E262	E260-E262 PolarHBondContact O-N 3Å; E260-E262 VanDerWaalsContact O-N 3.08Å
261	E	28.2	Very low	27	Very low	152 Å²	152	127.2 Å²	127.2	71%	0.71	78%	0.777	S	S	*	*			trans	-82.3	88.1	179.2	-69.8	-139.9	166.9	0	0	112.3	K534	E261-K534 IonicContact OE1-NZ 3.26Å; E261-K534 PolarHBondContact OE1-NZ 3.48Å
262	E	27.9	Very low	27.1	Very low	180 Å²	180	125.7 Å²	125.7	84%	0.841	77%	0.771	S	S	*	*			trans	-77.5	149.5	162.8	-106.7	-63.6	165.1	0	0	112.7	E260 A264	E260-E262 PolarHBondContact O-N 3Å; E260-E262 VanDerWaalsContact O-N 3.08Å; E262-A264 PolarHBondContact O-N 2.84Å
263	G	36.3	Very low	27.3	Very low	65 Å²	65	126.7 Å²	126.7	67%	0.67	77%	0.773	S	S	*	*			trans	-85.7	69.7	-158.6	0	0	0	0	0	116.2	A265	G263-A265 PolarHBondContact O-N 3.47Å
264	A	26.3	Very low	27.4	Very low	89 Å²	89	128.2 Å²	128.2	74%	0.736	78%	0.776	S	S	*	*			trans	-71.9	89.4	179.9	0	0	0	0	0	114.6	E262 L266	E262-A264 PolarHBondContact O-N 2.84Å; A264-L266 PolarHBondContact O-N 3.24Å
265	A	30.3	Very low	27.7	Very low	98 Å²	98	129 Å²	129	81%	0.81	78%	0.78	S	S	*	*			trans	-72.6	80.5	171.3	0	0	0	0	0	112.5	G263 E267	G263-A265 PolarHBondContact O-N 3.47Å; A265-E267 PolarHBondContact O-N 3.25Å
266	L	27.6	Very low	27.7	Very low	161 Å²	161	133.2 Å²	133.2	84%	0.843	79%	0.787	S	S	*	*			trans	-70.1	107.6	175.4	-72.5	171.2	0	0	0	112.1	A264 D268	A264-L266 PolarHBondContact O-N 3.24Å; L266-D268 PolarHBondContact O-N 3.21Å
267	E	30	Very low	27.9	Very low	140 Å²	140	132 Å²	132	65%	0.654	78%	0.784	S	S	*	*			trans	-71.2	121.2	165.2	-63.8	-128	101.9	0	0	110.4	A265 V269 K506	A265-E267 PolarHBondContact O-N 3.25Å; E267-V269 PolarHBondContact O-N 3.1Å; E267-K506 IonicContact OE1-NZ 2.67Å; E267-K506 PolarHBondContact OE1-NZ 3.45Å
268	D	27	Very low	28	Very low	85 Å²	85	136 Å²	136	46%	0.455	79%	0.789	S	S	.	*			trans	-68.6	90.3	170.7	-67.6	-73.1	0	0	0	109.5	L266 D270 R538	L266-D268 PolarHBondContact O-N 3.21Å; D268-D270 PolarHBondContact O-N 2.79Å; D268-R538 IonicContact OD1-CZ 3.88Å; D268-R538 IonicContact OD1-NH1 3.26Å; D268-R538 PolarHBondContact OD1-NH1 2.76Å; D268-R538 IonicContact OD1-NH2 2.7Å; D268-R538 PolarHBondContact OD1-NH2 2.66Å; D268-R538 IonicContact OD2-CZ 3.54Å; D268-R538 IonicContact OD2-NH1 2.73Å; D268-R538 PolarHBondContact OD2-NH1 2.83Å; D268-R538 IonicContact OD2-NH2 2.63Å; D268-R538 PolarHBondContact OD2-NH2 3.4Å
269	V	28.9	Very low	28.1	Very low	135 Å²	135	134.7 Å²	134.7	82%	0.818	79%	0.786	S	S	*	*			trans	-70.3	95.8	165.8	178.4	0	0	0	0	108.9	E267	E267-V269 PolarHBondContact O-N 3.1Å
270	D	28.5	Very low	28.1	Very low	122 Å²	122	134 Å²	134	65%	0.652	78%	0.783	S	S	*	*			trans	-91	119.5	172.3	-159.1	7.1	0	0	0	108.6	D268 G272	D268-D270 PolarHBondContact O-N 2.79Å; D270-G272 PolarHBondContact O-N 3.46Å
271	G	28	Very low	28.1	Very low	71 Å²	71	134.6 Å²	134.6	73%	0.732	78%	0.782	S	S	*	*			trans	-71.8	112.4	-162	0	0	0	0	0	114.3
272	G	26.3	Very low	28.1	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84.4	127.1	161.5	0	0	0	0	0	110.4	D270 E274	D270-G272 PolarHBondContact O-N 3.46Å; G272-E274 PolarHBondContact O-N 3.36Å
273	T	27.9	Very low	28	Very low	138 Å²	138	137.4 Å²	137.4	85%	0.847	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73.2	123.4	174.9	-50.8	0	0	0	0	110.3
274	E	27.2	Very low	27.5	Very low	186 Å²	186	140 Å²	140	87%	0.869	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-82.5	143.8	166.7	-63.2	-177.8	133	0	0	109.7	G272	G272-E274 PolarHBondContact O-N 3.36Å
275	Q	29.5	Very low	27.4	Very low	190 Å²	190	144.1 Å²	144.1	89%	0.888	80%	0.801	S	S	*	*			trans	-135.8	137.2	163.8	-94	-170.7	-27.2	0	0	107.8
276	E	26.1	Very low	27.2	Very low	201 Å²	201	143.5 Å²	143.5	94%	0.939	80%	0.796	S	S	*	*			trans	-75	158.6	-174.8	-63.8	160.9	134.2	0	0	111.4
277	G	25.5	Very low	27.7	Very low	75 Å²	75	141.4 Å²	141.4	77%	0.773	79%	0.792	S	S	*	*			trans	-159.8	101.7	174.8	0	0	0	0	0	109.1
278	E	26.1	Very low	27.4	Very low	204 Å²	204	143 Å²	143	95%	0.953	81%	0.805	S	S	*	*			trans	-66.1	150.5	-179.4	-60.5	177	123.5	0	0	111.5
279	G	26.3	Very low	27.5	Very low	74 Å²	74	149.1 Å²	149.1	76%	0.763	82%	0.823	S	S	*	*			trans	179.1	78.8	-176.7	0	0	0	0	0	112.5
280	E	29	Very low	27.3	Very low	187 Å²	187	150.3 Å²	150.3	87%	0.874	83%	0.825	S	S	*	*			trans	-60.9	138.6	-177.4	-55.6	172.8	97.7	0	0	113.5
281	K	28.3	Very low	27.1	Very low	203 Å²	203	153 Å²	153	88%	0.883	83%	0.827	S	S	*	*			trans	-157.2	131	131.1	-136.5	159.8	-172.6	164.3	0	114.3
282	L	26.3	Very low	27.2	Very low	143 Å²	143	154.6 Å²	154.6	75%	0.749	83%	0.827	S	S	*	*			trans	-53	143.5	170.3	-92.8	61.9	0	0	0	112.8
283	R	27	Very low	27.2	Very low	248 Å²	248	156.1 Å²	156.1	94%	0.936	82%	0.823	S	S	*	*				-155.7	123.7	117.4	-111.6	167.8	-172.3	175	1.3	113
284	T	24.7	Very low	27.1	Very low	121 Å²	121	154.3 Å²	154.3	74%	0.742	82%	0.822	S	S	*	*			trans	-66.9	140.5	174	-41.2	0	0	0	0	111.8
285	L	25.5	Very low	27	Very low	174 Å²	174	149.7 Å²	149.7	91%	0.911	82%	0.815	S	S	*	*			trans	-153.6	146.6	132.8	-96.7	-179.8	0	0	0	108.3
286	A	25.8	Very low	26.8	Very low	86 Å²	86	149.8 Å²	149.8	71%	0.711	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-94.2	164.6	-177.7	0	0	0	0	0	111.3
287	P	37.3	Very low	26.8	Very low	116 Å²	116	143.8 Å²	143.8	75%	0.753	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-92.7	147.3	-174.2	35.9	-32.9	0	0	0	113.1
288	D	24.2	Very low	26.8	Very low	175 Å²	175	146 Å²	146	94%	0.936	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-96.3	134.9	157.2	-69.4	-47.9	0	0	0	109.2
289	Y	29.7	Very low	26.9	Very low	213 Å²	213	144.4 Å²	144.4	84%	0.835	80%	0.801	S	S	*	*			trans	-129.2	135.6	178.8	-154.2	-78.3	0	0	0	106.2
290	D	24.6	Very low	28	Very low	159 Å²	159	145.8 Å²	145.8	85%	0.85	80%	0.797	S	S	*	*			trans	-150.4	142.5	166.5	-131.7	-28.1	0	0	0	113.6
291	Y	24.5	Very low	27.8	Very low	178 Å²	178	143.6 Å²	143.6	70%	0.698	79%	0.791	S	S	*	*			trans	-155	122.8	179.4	168.5	-84.6	0	0	0	108.1
292	S	28.8	Very low	27.9	Very low	106 Å²	106	141 Å²	141	74%	0.741	78%	0.782	S	S	*	*			trans	-161.4	110.1	161.8	-88.6	0	0	0	0	114.4
293	T	26.1	Very low	28	Very low	102 Å²	102	140.8 Å²	140.8	63%	0.626	78%	0.779	S	S	*	*			trans	14	116.9	132.1	19.4	0	0	0	0	121.7
294	A	26.2	Very low	28.2	Very low	100 Å²	100	136.2 Å²	136.2	83%	0.826	77%	0.773	S	S	*	*				64.5	124	116.5	0	0	0	0	0	123.9
295	A	24.7	Very low	28.6	Very low	89 Å²	89	137.7 Å²	137.7	74%	0.736	77%	0.772	S	S	*	*			trans	-156.4	126.9	146.2	0	0	0	0	0	106.7
296	E	25.9	Very low	28.8	Very low	191 Å²	191	135.1 Å²	135.1	89%	0.893	76%	0.759	S	S	*	*				56.3	130.1	88.7	-65.9	-97.3	109.2	0	0	114.1
297	A	25.9	Very low	29	Very low	76 Å²	76	136.4 Å²	136.4	63%	0.628	75%	0.754	S	S	*	*			cis	-167.5	175.9	-9.7	0	0	0	0	0	111
298	S	26.3	Very low	28.7	Very low	122 Å²	122	140.9 Å²	140.9	85%	0.853	76%	0.756	S	S	*	*			trans	109.8	121	162.7	-45.7	0	0	0	0	118.7
299	L	26.8	Very low	28.7	Very low	169 Å²	169	137.5 Å²	137.5	89%	0.885	75%	0.746	S	S	*	*			trans	-102.7	-169.3	160.7	-73.5	169.3	0	0	0	107.6
300	P	49.9	Very low	28.7	Very low	103 Å²	103	134.9 Å²	134.9	67%	0.669	75%	0.745	S	S	*	*			cis	-135.3	179.5	0.7	41.9	-23.4	0	0	0	115.5
301	D	25	Very low	28.7	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	75%	0.746	S	S	*	*				-170.3	133.2	109.9	-99.1	-17.2	0	0	0	111.7
302	E	29.9	Very low	28.7	Very low	147 Å²	147	128.5 Å²	128.5	69%	0.687	75%	0.752	S	S	*	*			trans	42	142.3	133.4	-56.9	-69.5	78.1	0	0	121.5
303	M	29.9	Very low	28.6	Very low	139 Å²	139	128.8 Å²	128.8	69%	0.685	75%	0.754	S	S	*	*			cis	-170.9	148.3	-6.1	53.2	179.3	90.1	0	0	109.5
304	N	30.6	Very low	28.5	Very low	152 Å²	152	129.5 Å²	129.5	81%	0.813	76%	0.758	S	S	*	*			trans	48.7	162.1	152.3	-78.8	24.7	0	0	0	123.3
305	E	32	Very low	28.4	Very low	153 Å²	153	130.3 Å²	130.3	72%	0.715	75%	0.752	S	S	*	*			cis	-168	146.3	-38.4	-108.2	-91.4	96.5	0	0	108.8
306	D	30.2	Very low	28.5	Very low	119 Å²	119	133.2 Å²	133.2	64%	0.636	76%	0.755	S	S	*	*			trans	51.5	116	145.7	-125.2	31.4	0	0	0	126.5
307	N	30.5	Very low	28.7	Very low	114 Å²	114	129 Å²	129	61%	0.61	75%	0.747	S	S	*	*				83.8	140.6	122.3	-100.6	-39.1	0	0	0	127.4
308	R	30.4	Very low	29	Very low	210 Å²	210	129.9 Å²	129.9	79%	0.792	75%	0.748	S	S	*	*			trans	70.2	101.9	143.8	-80.5	171.1	179.4	-178.7	-0	123.9
309	S	25.3	Very low	29	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	75%	0.746	S	S	*	*				72.7	137	106.9	-61.4	0	0	0	0	123.9
310	L	28.6	Very low	29.2	Very low	158 Å²	158	130.9 Å²	130.9	83%	0.827	74%	0.739	S	S	*	*			trans	84.2	120.8	145.9	-75.9	165.7	0	0	0	122.1
311	S	25	Very low	28.1	Very low	124 Å²	124	134.3 Å²	134.3	87%	0.867	75%	0.746	S	S	*	*			trans	73.7	166.2	140.3	77.9	0	0	0	0	119.5
312	G	24.4	Very low	28.4	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	74%	0.744	S	S	*	*			trans	115.6	132.6	175.6	0	0	0	0	0	113.7
313	S	26.5	Very low	28.4	Very low	112 Å²	112	131 Å²	131	78%	0.783	74%	0.744	S	S	*	*			trans	-148.1	-179.8	179.9	54.4	0	0	0	0	111.1
314	V	25.5	Very low	28.3	Very low	117 Å²	117	130.7 Å²	130.7	71%	0.709	75%	0.746	S	S	*	*			trans	83.7	91.1	163	-147	0	0	0	0	118.2
315	T	24	Very low	28.4	Very low	117 Å²	117	131.8 Å²	131.8	72%	0.718	75%	0.746	S	S	*	*			trans	75.4	134.7	132.8	64.3	0	0	0	0	126.4
316	L	25.6	Very low	29.4	Very low	150 Å²	150	128.7 Å²	128.7	79%	0.785	74%	0.739	S	S	*	*				93.1	130.2	126.7	-83.4	165.1	0	0	0	123.3
317	S	30	Very low	30.8	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	74%	0.744	S	S	*	*			trans	74.6	147.6	145.7	-70.1	0	0	0	0	119.9
318	S	31.7	Very low	31	Very low	94 Å²	94	127 Å²	127	66%	0.657	75%	0.748	S	S	*	*			cis	-174.7	149.5	-7.8	46	0	0	0	0	113.1
319	Q	26.7	Very low	31.2	Very low	174 Å²	174	126.5 Å²	126.5	81%	0.813	75%	0.754	S	S	*	*			trans	-178.8	126.2	142.3	-96.6	155.3	38.1	0	0	107.2
320	L	30.7	Very low	31.3	Very low	138 Å²	138	124.9 Å²	124.9	72%	0.723	75%	0.754	S	S	*	*				73.8	134.1	66.2	-72.2	167.2	0	0	0	112.3	V322	L320-V322 HydrophobicContact CD2-CG2 4.12Å
321	E	28.8	Very low	31.4	Very low	175 Å²	175	126.1 Å²	126.1	82%	0.818	76%	0.756	S	S	*	*			cis	-129.5	138.7	12.4	-69.5	-168.2	109.7	0	0	110.7
322	V	31	Very low	31.6	Very low	121 Å²	121	125.1 Å²	125.1	73%	0.733	74%	0.741	S	S	*	*				61.8	128.9	74.4	177.3	0	0	0	0	112	L320	L320-V322 HydrophobicContact CD2-CG2 4.12Å
323	S	29.9	Very low	31.9	Very low	98 Å²	98	128.6 Å²	128.6	69%	0.685	74%	0.736	S	S	*	*			cis	-128.9	-164.4	11.6	-145.3	0	0	0	0	110.5
324	D	27.7	Very low	31.9	Very low	133 Å²	133	128.4 Å²	128.4	71%	0.711	73%	0.73	S	S	*	*			cis	-153.3	-165.4	8.1	-149.9	-92	0	0	0	111.8
325	Q	32.8	Very low	32.1	Very low	175 Å²	175	130.8 Å²	130.8	82%	0.818	73%	0.733	S	S	*	*			trans	-133.3	-100.9	179.3	-164.7	-166.7	-3.4	0	0	113.3
326	P	51.9	Low	32.2	Very low	87 Å²	87	131.5 Å²	131.5	57%	0.565	73%	0.732	S	S	*	*			cis	-104.1	-77.9	-28.3	12.5	9.5	0	0	0	118.5
327	P	59.9	Low	32.1	Very low	114 Å²	114	133.2 Å²	133.2	74%	0.74	73%	0.734	S	S	*	*			trans	-113.3	-176	-154.7	46	-33.8	0	0	0	114.1
328	A	35.3	Very low	32.2	Very low	84 Å²	84	136.5 Å²	136.5	69%	0.694	74%	0.737	S	S	*	*			cis	-152.6	161.9	14.2	0	0	0	0	0	116
329	Q	33.7	Very low	32.8	Very low	199 Å²	199	136.7 Å²	136.7	93%	0.93	74%	0.736	S	S	*	*			trans	0.7	147.5	148.9	-60.1	170	-12.4	0	0	121.5
330	G	27.4	Very low	32.8	Very low	70 Å²	70	135 Å²	135	72%	0.722	73%	0.732	S	S	*	*			cis	150.5	148.8	-8.8	0	0	0	0	0	114.8
331	Q	31	Very low	32.7	Very low	183 Å²	183	136.1 Å²	136.1	86%	0.855	73%	0.734	S	S	*	*			trans	65.1	160.3	162	-98.7	-175.7	-75.7	0	0	118.8
332	D	29.7	Very low	32.5	Very low	104 Å²	104	133.9 Å²	133.9	56%	0.556	73%	0.732	S	S	*	*			cis	-157	170	-13	-151.2	-2	0	0	0	114.1
333	Q	30.2	Very low	32.2	Very low	152 Å²	152	132.1 Å²	132.1	71%	0.71	73%	0.73	S	S	*	*			trans	48.3	131	143.2	-93	-179.8	87	0	0	125.8
334	T	26.5	Very low	32.8	Very low	107 Å²	107	133.2 Å²	133.2	66%	0.656	74%	0.735	S	S	*	*			trans	83.8	111.3	131.7	-56	0	0	0	0	122.5
335	Q	30.4	Very low	32.7	Very low	168 Å²	168	131.1 Å²	131.1	79%	0.785	74%	0.737	S	S	*	*			trans	0.5	147.5	142.7	-45.9	176.6	14	0	0	120.5
336	L	25.3	Very low	32.2	Very low	131 Å²	131	129.6 Å²	129.6	69%	0.686	74%	0.739	S	S	*	*				178.5	157.8	103.1	-93.4	178.7	0	0	0	115.9
337	F	24.5	Very low	31.1	Very low	187 Å²	187	131.1 Å²	131.1	82%	0.82	75%	0.75	S	S	*	*			trans	51.6	116	157.7	-71.8	-61.6	0	0	0	125
338	Q	32.1	Very low	29.4	Very low	173 Å²	173	135 Å²	135	81%	0.808	76%	0.758	S	S	*	*			trans	-84.5	-168.6	145.7	-120.9	-170	12	0	0	109.9
339	P	44.5	Very low	29.3	Very low	97 Å²	97	138.9 Å²	138.9	63%	0.63	77%	0.767	S	S	*	*			cis	-124.1	-128.9	-13.6	22.1	5.7	0	0	0	110.5
340	L	25.2	Very low	29.1	Very low	139 Å²	139	135.2 Å²	135.2	73%	0.728	76%	0.76	S	S	*	*			cis	-166.5	163.7	-1.1	-161.8	61.7	0	0	0	111.4
341	Q	28.5	Very low	29.3	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	77%	0.765	S	S	*	*			trans	73.6	155.9	166	-42.3	-166.7	41.5	0	0	117
342	T	25.9	Very low	29.2	Very low	128 Å²	128	137.8 Å²	137.8	79%	0.785	76%	0.758	S	S	*	*			cis	-144.8	161.6	5.9	-27.1	0	0	0	0	111.7
343	A	24.6	Very low	29.1	Very low	85 Å²	85	142.4 Å²	142.4	70%	0.702	77%	0.768	S	S	*	*			trans	-107.9	-172	167.3	0	0	0	0	0	109.7
344	P	42	Very low	29.1	Very low	120 Å²	120	141.3 Å²	141.3	78%	0.779	77%	0.772	S	S	*	*			cis	-141.4	-171.7	1.1	44.3	-25.6	0	0	0	116.6
345	A	26	Very low	29.2	Very low	90 Å²	90	141 Å²	141	74%	0.744	78%	0.78	S	S	*	*			trans	70.4	126.3	148	0	0	0	0	0	121.5
346	V	22.5	Very low	29.5	Very low	143 Å²	143	138.8 Å²	138.8	87%	0.867	77%	0.773	S	S	*	*				-172.5	154.4	96.8	152.9	0	0	0	0	108.7
347	C	28.8	Very low	29.8	Very low	118 Å²	118	135.8 Å²	135.8	80%	0.797	76%	0.755	S	S	*	*			trans	-96.1	146	-178.1	-56.2	0	0	0	0	112.7
348	E	23.9	Very low	30	Very low	195 Å²	195	129.8 Å²	129.8	91%	0.911	74%	0.737	S	S	*	*			trans	-168	161.5	140.4	-115.7	173.2	-152.2	0	0	113.1
349	L	31.7	Very low	29.9	Very low	167 Å²	167	124.4 Å²	124.4	87%	0.874	72%	0.718	S	S	*	*			trans	-145.3	136	177.5	-87.2	174.6	0	0	0	110.9
350	P	30.1	Very low	29.2	Very low	122 Å²	122	127.7 Å²	127.7	79%	0.792	73%	0.725	S	S	*	*			trans	-135.8	159.7	145.2	20.3	1.1	0	0	0	115.1
351	N	30.9	Very low	29.4	Very low	153 Å²	153	124.9 Å²	124.9	82%	0.818	71%	0.71	S	S	*	*			trans	-89.2	160.9	-174.1	-55	-89	0	0	0	113.7
352	Q	28.9	Very low	29.6	Very low	154 Å²	154	121.8 Å²	121.8	72%	0.72	70%	0.698	S	S	*	*				175.4	126	114.4	-95.9	177.2	98.8	0	0	118.8
353	R	28.7	Very low	29.9	Very low	200 Å²	200	118.8 Å²	118.8	76%	0.755	68%	0.676	S	S	*	*				63.1	118.3	125.4	-71.5	178.9	174.3	154.2	-9.9	125.6
354	T	30	Very low	30.4	Very low	130 Å²	130	120.6 Å²	120.6	80%	0.798	67%	0.673	S	S	*	*				67.2	129.6	125	62.8	0	0	0	0	124.7
355	A	27.8	Very low	29.8	Very low	99 Å²	99	120.5 Å²	120.5	82%	0.818	67%	0.67	S	S	*	*				-161.8	164.7	126.3	0	0	0	0	0	111.6
356	L	37.3	Very low	30.2	Very low	123 Å²	123	118.6 Å²	118.6	64%	0.644	66%	0.659	S	S	*	*			trans	-124.9	155.8	173.7	-79.4	81.1	0	0	0	110.6	V114	V114-L356 HydrophobicContact CG1-CD2 4.48Å
357	E	32.8	Very low	30.9	Very low	67 Å²	67	118.1 Å²	118.1	31%	0.313	66%	0.659	S	S	.	*				174.1	165.5	126.6	-92.8	156.6	-166.6	0	0	110.6	R113 S166	R113-E357 IonicContact CZ-OE1 3.38Å; R113-E357 IonicContact NH1-OE1 2.97Å; R113-E357 PolarHBondContact NH1-OE1 3.14Å; R113-E357 IonicContact NH1-OE2 2.99Å; R113-E357 PolarHBondContact NH1-OE2 3.11Å; S166-E357 PolarHBondContact OG-OE2 3.3Å; S166-E357 VanDerWaalsContact OG-OE2 3.06Å
358	S	27	Very low	31.4	Very low	62 Å²	62	115.8 Å²	115.8	43%	0.434	64%	0.644	S	S	.	*			trans	91.9	112.7	167.9	-35.2	0	0	0	0	120.3	S166	S166-S358 WeakPolarHBondContact CB-OG 3.42Å; S166-S358 VanDerWaalsContact O-CB 3.26Å; S166-S358 WeakPolarHBondContact O-CB 3.27Å; S166-S358 PolarHBondContact O-OG 3.47Å
359	S	30.8	Very low	32.1	Very low	60 Å²	60	116.9 Å²	116.9	42%	0.42	64%	0.641	S	S	.	*			trans	-174.7	130.2	162	-86.6	0	0	0	0	112.2	Y165	Y165-S359 WeakPolarHBondContact CD1-O 3.27Å; Y165-S359 WeakPolarHBondContact CD2-O 3.4Å; Y165-S359 VanDerWaalsContact CE2-O 3.24Å; Y165-S359 WeakPolarHBondContact CE2-O 3.46Å
360	Q	30.3	Very low	32.7	Very low	166 Å²	166	116.8 Å²	116.8	78%	0.776	64%	0.637	S	S	*	*			trans	-117.7	127	152.2	-86.6	-179.4	-34.6	0	0	106.9
361	L	29.6	Very low	33.2	Very low	80 Å²	80	113.7 Å²	113.7	42%	0.419	62%	0.621	S	S	.	*			trans	-104.5	166.5	-174.2	-59	66.3	0	0	0	112.2	T84 Y85	T84-L361 HydrophobicContact CG2-CD1 4.03Å; Y85-L361 WeakPolarHBondContact CA-O 3.38Å; Y85-L361 HydrophobicContact CD2-CB 3.65Å; Y85-L361 HydrophobicContact CD2-CD2 4.09Å; Y85-L361 HydrophobicContact CG-CB 4.42Å; Y85-L361 PolarHBondContact N-O 3.32Å
362	I	32.3	Very low	33.8	Very low	96 Å²	96	113.5 Å²	113.5	49%	0.492	62%	0.619	S	S	.	*			trans	-121.9	112.9	-168.8	-91.6	164.8	0	0	0	112.4	Y85 D87 I364	Y85-I362 WeakPolarHBondContact CD2-O 3.28Å; Y85-I362 WeakPolarHBondContact CE2-O 3.37Å; D87-I362 HydrophobicContact CB-CB 3.89Å; D87-I362 HydrophobicContact CB-CG1 3.96Å; D87-I362 HydrophobicContact CB-CG2 3.6Å; D87-I362 VanDerWaalsContact OD2-CG2 3.27Å; D87-I362 WeakPolarHBondContact OD2-CG2 3.39Å; I362-I364 PolarHBondContact O-N 3.43Å
363	I	31.4	Very low	34.5	Very low	65 Å²	65	110.2 Å²	110.2	33%	0.333	62%	0.619	S	S	.	*			trans	-65	122.7	-169.9	-120.5	174.2	0	0	0	112.5	Y85 D87 T365	Y85-I363 HydrophobicContact CD1-CB 4.1Å; Y85-I363 HydrophobicContact CD1-CD1 4.48Å; Y85-I363 HydrophobicContact CD1-CG1 3.3Å; Y85-I363 HydrophobicContact CE1-CG1 4.17Å; Y85-I363 HydrophobicContact CG-CB 4.15Å; Y85-I363 HydrophobicContact CG-CG1 3.64Å; Y85-I363 WeakPolarHBondContact O-CD1 3.44Å; Y85-I363 WeakPolarHBondContact O-CG1 3.39Å; D87-I363 VanDerWaalsContact N-N 3.2Å; I363-T365 HydrophobicContact CD1-CG2 3.68Å; I363-T365 HydrophobicContact CG1-CG2 3.93Å; I363-T365 HydrophobicContact CG2-CG2 4.26Å
364	I	35.2	Very low	35	Very low	122 Å²	122	105.6 Å²	105.6	63%	0.626	62%	0.617	S	S	*	*			trans	-119.1	81.4	161.5	-50.9	179.4	0	0	0	107.3	I362 G366	I362-I364 PolarHBondContact O-N 3.43Å; I364-G366 PolarHBondContact O-N 2.78Å
365	T	29.4	Very low	35.6	Very low	119 Å²	119	105.5 Å²	105.5	73%	0.73	61%	0.608	S	S	*	*			trans	-79.4	84.4	176.4	39.2	0	0	0	0	111.3	I363	I363-T365 HydrophobicContact CD1-CG2 3.68Å; I363-T365 HydrophobicContact CG1-CG2 3.93Å; I363-T365 HydrophobicContact CG2-CG2 4.26Å
366	G	33.8	Very low	36	Very low	49 Å²	49	104.7 Å²	104.7	51%	0.505	61%	0.609	S	S	.	*			trans	-130.1	138.9	172.8	0	0	0	0	0	112	I364 S368	I364-G366 PolarHBondContact O-N 2.78Å; G366-S368 PolarHBondContact O-N 3.24Å
367	P	37.5	Very low	36	Very low	134 Å²	134	103.5 Å²	103.5	87%	0.87	61%	0.606	S	S	*	*	S	Bend	trans	-85.1	71.5	-173.3	34.9	-36.6	0	0	0	113
368	S	39.7	Very low	36.1	Very low	69 Å²	69	108 Å²	108	48%	0.483	63%	0.627	S	S	.	*			trans	176.6	87.4	148.5	32.5	0	0	0	0	112.6	G366 E370 A371	G366-S368 PolarHBondContact O-N 3.24Å; S368-E370 PolarHBondContact O-N 2.81Å; S368-A371 PolarHBondContact O-N 3.02Å; S368-A371 VanDerWaalsContact O-N 3.11Å; S368-A371 WeakPolarHBondContact OG-CB 3.12Å
369	Y	39.2	Very low	36.4	Very low	217 Å²	217	110.2 Å²	110.2	85%	0.851	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-58.6	-29	162.3	-175.8	-106.1	0	0	0	111.3	A371 L372	Y369-A371 VanDerWaalsContact C-N 3.28Å; Y369-A371 PolarHBondContact O-N 3.49Å; Y369-L372 PolarHBondContact O-N 2.82Å
370	E	44.8	Very low	36.7	Very low	166 Å²	166	112.8 Å²	112.8	78%	0.776	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-68.6	-17.6	175.2	-61.2	172.8	152.6	0	0	114	S368 A373	S368-E370 PolarHBondContact O-N 2.81Å; E370-A373 PolarHBondContact O-N 3.05Å
371	A	39.9	Very low	36.8	Very low	56 Å²	56	111.2 Å²	111.2	46%	0.463	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-81.7	-13.6	179.5	0	0	0	0	0	113.6	S368 Y369 A373	S368-A371 PolarHBondContact O-N 3.02Å; S368-A371 VanDerWaalsContact O-N 3.11Å; S368-A371 WeakPolarHBondContact OG-CB 3.12Å; Y369-A371 VanDerWaalsContact C-N 3.28Å; Y369-A371 PolarHBondContact O-N 3.49Å; A371-A373 VanDerWaalsContact C-N 3.34Å
372	L	43.5	Very low	36.8	Very low	149 Å²	149	110.1 Å²	110.1	78%	0.78	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-92.6	5.1	172.7	-64.4	174.2	0	0	0	112.5	Y369	Y369-L372 PolarHBondContact O-N 2.82Å
373	A	43.3	Very low	37.4	Very low	86 Å²	86	109.6 Å²	109.6	71%	0.711	64%	0.641	S	S	*	*	S	Bend	trans	-111.1	-0.2	-174.4	0	0	0	0	0	114.3	E370 A371	E370-A373 PolarHBondContact O-N 3.05Å; A371-A373 VanDerWaalsContact C-N 3.34Å
374	S	39.8	Very low	38.2	Very low	102 Å²	102	109.3 Å²	109.3	71%	0.713	65%	0.654	S	S	*	*	S	Bend	trans	-128.9	-2.5	-177.3	67.2	0	0	0	0	115.8
375	E	42.5	Very low	38.5	Very low	129 Å²	129	110 Å²	110	60%	0.603	66%	0.659	S	S	*	*	S	Bend	trans	-119.7	118.6	158.4	-74.6	-173.6	-160.7	0	0	107.6	V377	E375-V377 PolarHBondContact O-N 3.43Å
376	G	36.2	Very low	38.5	Very low	82 Å²	82	109.3 Å²	109.3	85%	0.845	65%	0.649	S	S	*	*			trans	-77.8	86.8	-167.5	0	0	0	0	0	113.3	Q378	G376-Q378 PolarHBondContact O-N 2.93Å
377	V	37.4	Very low	39.3	Very low	97 Å²	97	115 Å²	115	59%	0.588	66%	0.663	S	S	*	*			trans	-70.6	93.6	167	172.5	0	0	0	0	109.1	E375 L379 C391	E375-V377 PolarHBondContact O-N 3.43Å; V377-L379 HydrophobicContact CG1-CD2 3.89Å; V377-L379 HydrophobicContact CG1-CG 4.07Å; V377-L379 PolarHBondContact O-N 3.34Å; V377-C391 HydrophobicContact CG1-CB 3.9Å
378	Q	35.3	Very low	39.4	Very low	161 Å²	161	117.3 Å²	117.3	75%	0.752	66%	0.662	S	S	*	*			trans	-87.9	84.9	-175	-168.3	173.6	16.3	0	0	111.2	G376 N380 C391	G376-Q378 PolarHBondContact O-N 2.93Å; Q378-N380 VanDerWaalsContact C-N 3.34Å; Q378-N380 PolarHBondContact O-N 3.33Å; Q378-C391 PolarHBondContact O-SG 3.49Å
379	L	33.5	Very low	39	Very low	110 Å²	110	116.1 Å²	116.1	58%	0.576	65%	0.651	S	S	*	*			trans	-68.8	85	179.7	-60.6	174.5	0	0	0	112	V377 M381 V389	V377-L379 HydrophobicContact CG1-CD2 3.89Å; V377-L379 HydrophobicContact CG1-CG 4.07Å; V377-L379 PolarHBondContact O-N 3.34Å; L379-M381 PolarHBondContact O-N 2.94Å; L379-M381 VanDerWaalsContact O-N 3.08Å; L379-V389 HydrophobicContact CD2-CB 4.1Å; L379-V389 HydrophobicContact CD2-CG1 4.09Å
380	N	35.4	Very low	38.9	Very low	113 Å²	113	112.1 Å²	112.1	60%	0.604	65%	0.65	S	S	*	*			trans	-79.2	78.7	-178.4	-171.1	52.8	0	0	0	113	Q378 S382 V389	Q378-N380 VanDerWaalsContact C-N 3.34Å; Q378-N380 PolarHBondContact O-N 3.33Å; N380-S382 PolarHBondContact O-N 3.24Å; N380-V389 WeakPolarHBondContact O-CG2 3.45Å
381	M	32.2	Very low	38.1	Very low	134 Å²	134	106.8 Å²	106.8	66%	0.66	63%	0.63	S	S	*	*			trans	-72.9	110.5	175.7	-63.1	-75.7	-65.2	0	0	110.9	L379 V389	L379-M381 PolarHBondContact O-N 2.94Å; L379-M381 VanDerWaalsContact O-N 3.08Å; M381-V389 HydrophobicContact CG-CG2 4.15Å; M381-V389 HydrophobicContact SD-CG2 3.7Å
382	S	30.3	Very low	37.7	Very low	56 Å²	56	111.2 Å²	111.2	39%	0.392	65%	0.652	S	S	.	*			trans	-161.6	146.9	-178.5	64.8	0	0	0	0	109.2	N380 M386	N380-S382 PolarHBondContact O-N 3.24Å; S382-M386 VanDerWaalsContact O-CB 3.27Å; S382-M386 WeakPolarHBondContact O-CB 3.36Å; S382-M386 PolarHBondContact O-N 3.44Å
383	S	44.3	Very low	37.5	Very low	85 Å²	85	109 Å²	109	59%	0.594	64%	0.644	S	S	*	*	S	Bend	cis	-162.8	129.1	-5.6	167.6	0	0	0	0	108.6	N385 M386	S383-N385 CarbonylContact C-O 3.52Å; S383-M386 VanDerWaalsContact N-N 3.13Å; S383-M386 PolarHBondContact N-SD 3.13Å; S383-M386 VanDerWaalsContact O-CE 3.25Å; S383-M386 WeakPolarHBondContact O-CE 3.43Å
384	G	48.3	Very low	36.9	Very low	60 Å²	60	113.4 Å²	113.4	62%	0.619	65%	0.654	S	S	*	*	S	Bend	cis	-80	-26.1	9.4	0	0	0	0	0	118
385	N	42	Very low	36.6	Very low	137 Å²	137	112.2 Å²	112.2	73%	0.733	66%	0.657	S	S	*	*	S	Bend	cis	75.5	58.8	-5.6	67.6	-101.7	0	0	0	120.8	S383	S383-N385 CarbonylContact C-O 3.52Å
386	M	30	Very low	36.2	Very low	103 Å²	103	109.6 Å²	109.6	51%	0.507	67%	0.665	S	S	.	*				-125	142.5	110.2	-61.1	98.6	-158.1	0	0	106.4	S382 S383	S382-M386 VanDerWaalsContact O-CB 3.27Å; S382-M386 WeakPolarHBondContact O-CB 3.36Å; S382-M386 PolarHBondContact O-N 3.44Å; S383-M386 VanDerWaalsContact N-N 3.13Å; S383-M386 PolarHBondContact N-SD 3.13Å; S383-M386 VanDerWaalsContact O-CE 3.25Å; S383-M386 WeakPolarHBondContact O-CE 3.43Å
387	E	50.2	Low	35.8	Very low	170 Å²	170	112.9 Å²	112.9	79%	0.794	67%	0.669	S	S	*	*			cis	69.2	93.4	47.3	-60.5	-168.2	152.7	0	0	112.2
388	E	40.7	Very low	35.3	Very low	182 Å²	182	113.3 Å²	113.3	85%	0.85	68%	0.682	S	S	*	*			trans	60.9	138	175.3	-54.5	-161.6	136.3	0	0	118.4
389	V	30.3	Very low	34.7	Very low	44 Å²	44	116.2 Å²	116.2	27%	0.267	69%	0.688	S	S	.	*			trans	-137.7	123	161.1	-170.2	0	0	0	0	110.3	L379 N380 M381	L379-V389 HydrophobicContact CD2-CB 4.1Å; L379-V389 HydrophobicContact CD2-CG1 4.09Å; N380-V389 WeakPolarHBondContact O-CG2 3.45Å; M381-V389 HydrophobicContact CG-CG2 4.15Å; M381-V389 HydrophobicContact SD-CG2 3.7Å
390	T	36.9	Very low	34.8	Very low	133 Å²	133	117.5 Å²	117.5	82%	0.816	70%	0.695	S	S	*	*			trans	-105.1	157	165.5	50.4	0	0	0	0	109.4
391	C	28.5	Very low	34.3	Very low	54 Å²	54	121.5 Å²	121.5	37%	0.365	71%	0.71	S	S	.	*			trans	-144.6	147.9	-178	-74.3	0	0	0	0	112.9	V377 Q378	V377-C391 HydrophobicContact CG1-CB 3.9Å; Q378-C391 PolarHBondContact O-SG 3.49Å
392	T	31.5	Very low	34.1	Very low	149 Å²	149	123 Å²	123	91%	0.914	72%	0.72	S	S	*	*			trans	-143.3	175.7	180	45.6	0	0	0	0	110.9
393	V	38.6	Very low	33.8	Very low	102 Å²	102	126.7 Å²	126.7	62%	0.618	74%	0.744	S	S	*	*			trans	-123.3	152.2	-157.5	-178.5	0	0	0	0	112.9
394	I	31.8	Very low	33.2	Very low	179 Å²	179	128.1 Å²	128.1	92%	0.918	75%	0.754	S	S	*	*			trans	-170.2	165.4	162.4	-96.8	142.9	0	0	0	110.4
395	G	31.8	Very low	33.3	Very low	76 Å²	76	130.4 Å²	130.4	78%	0.784	76%	0.758	S	S	*	*			trans	-175.7	179.8	173.8	0	0	0	0	0	119.1
396	G	34.1	Very low	32.6	Very low	75 Å²	75	130.1 Å²	130.1	77%	0.773	76%	0.756	S	S	*	*			trans	117.1	166.9	172.4	0	0	0	0	0	116.3
397	V	29.2	Very low	32.6	Very low	151 Å²	151	132 Å²	132	92%	0.915	77%	0.768	S	S	*	*			cis	-160	147.4	-15.8	-167.8	0	0	0	0	109.3
398	A	26.2	Very low	31.7	Very low	105 Å²	105	132.9 Å²	132.9	87%	0.868	77%	0.769	S	S	*	*			trans	-160.2	176.6	169.2	0	0	0	0	0	114.5
399	Y	23.2	Very low	31	Very low	223 Å²	223	130.3 Å²	130.3	88%	0.875	77%	0.765	S	S	*	*			trans	-129.6	173.5	-157.9	-142.3	-100.5	0	0	0	117.4
400	N	34.6	Very low	30.9	Very low	137 Å²	137	138.1 Å²	138.1	73%	0.733	79%	0.79	S	S	*	*			trans	-74.9	161.2	-178.4	-66.1	-65.2	0	0	0	115.7
401	Q	25.7	Very low	30.3	Very low	196 Å²	196	137.2 Å²	137.2	92%	0.916	78%	0.781	S	S	*	*			trans	-142.2	153.1	153.3	-74.3	-163.3	3.4	0	0	113.2
402	L	28.7	Very low	30.2	Very low	167 Å²	167	138.4 Å²	138.4	87%	0.874	79%	0.794	S	S	*	*			trans	-148	123	169.7	-99.1	172.8	0	0	0	108.5
403	C	23.3	Very low	31.1	Very low	132 Å²	132	136.4 Å²	136.4	89%	0.892	78%	0.783	S	S	*	*			trans	162.3	146.7	142.9	-87.1	0	0	0	0	112.3
404	S	31.3	Very low	31	Very low	115 Å²	115	139.7 Å²	139.7	80%	0.804	79%	0.792	S	S	*	*			trans	-92.9	178.3	163.7	-31.7	0	0	0	0	109.3
405	P	50	Low	30.9	Very low	109 Å²	109	140.2 Å²	140.2	71%	0.708	79%	0.791	S	S	*	*			cis	-150	-158.1	49.6	40.6	-16.3	0	0	0	116.5
406	D	27.1	Very low	30.9	Very low	130 Å²	130	143.2 Å²	143.2	70%	0.695	79%	0.789	S	S	*	*			trans	100	93.3	154.5	-67.3	-22.7	0	0	0	123.4
407	L	31.6	Very low	30.6	Very low	144 Å²	144	145.7 Å²	145.7	75%	0.754	80%	0.795	S	S	*	*				57.4	111.8	113.4	-70.7	173.9	0	0	0	121.6
408	K	30.1	Very low	30.7	Very low	188 Å²	188	145.6 Å²	145.6	82%	0.817	79%	0.788	S	S	*	*				173.4	144.1	98.2	-98.6	-178.3	-177.2	171.9	0	115.5
409	V	26.9	Very low	31	Very low	127 Å²	127	147.5 Å²	147.5	77%	0.77	79%	0.789	S	S	*	*			trans	59.2	123.7	142.4	177.6	0	0	0	0	118
410	R	28.4	Very low	31.2	Very low	208 Å²	208	139.9 Å²	139.9	79%	0.785	78%	0.779	S	S	*	*			cis	-131.3	-126	2.8	-144.7	171.1	64.6	-170.6	-3.9	110.2
411	D	23.9	Very low	31	Very low	115 Å²	115	142 Å²	142	62%	0.615	79%	0.789	S	S	*	*			cis	-151.9	-177.9	-2.1	-139.8	-38.3	0	0	0	111.9
412	A	26.9	Very low	31.3	Very low	78 Å²	78	137 Å²	137	65%	0.645	78%	0.776	S	S	*	*			trans	-144.6	-177.8	-170.6	0	0	0	0	0	111.3
413	P	50.7	Low	31.5	Very low	107 Å²	107	138.1 Å²	138.1	70%	0.695	78%	0.776	S	S	*	*			cis	-148.4	174.2	9.7	50.6	-32.5	0	0	0	119.1
414	E	34.7	Very low	32	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.804	77%	0.77	S	S	*	*			trans	66.2	160.4	152.7	-38.4	-133.8	148	0	0	118.9
415	E	31.5	Very low	32.1	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.883	77%	0.771	S	S	*	*			cis	-132.7	177.7	19	-53	-165	154.8	0	0	116
416	D	30.2	Very low	31.2	Very low	139 Å²	139	141.2 Å²	141.2	74%	0.743	78%	0.776	S	S	*	*			trans	-82.2	160.2	-166.5	-77.7	-54.3	0	0	0	118.2
417	S	29.2	Very low	31.3	Very low	128 Å²	128	140.5 Å²	140.5	90%	0.895	78%	0.775	S	S	*	*				-171.1	159.5	124.2	-86.2	0	0	0	0	114.5
418	L	31.2	Very low	31.3	Very low	148 Å²	148	141.2 Å²	141.2	78%	0.775	78%	0.775	S	S	*	*			trans	-125.6	154.4	-160.6	-89.6	159	0	0	0	115
419	T	32.3	Very low	31.2	Very low	145 Å²	145	137.9 Å²	137.9	89%	0.89	77%	0.766	S	S	*	*			trans	62.7	155	158.1	54	0	0	0	0	119.3
420	G	27.1	Very low	31.3	Very low	64 Å²	64	135.5 Å²	135.5	66%	0.66	76%	0.755	S	S	*	*			cis	161	159.1	-9.6	0	0	0	0	0	113.4
421	L	30	Very low	31.2	Very low	181 Å²	181	131.9 Å²	131.9	95%	0.948	75%	0.751	S	S	*	*			trans	67.6	159.5	167.9	-53.1	-179.3	0	0	0	116.5
422	S	32.3	Very low	31.4	Very low	92 Å²	92	133.2 Å²	133.2	64%	0.643	76%	0.758	S	S	*	*			cis	-153.4	159.6	-4.1	40.8	0	0	0	0	112.7
423	E	33.8	Very low	31.6	Very low	189 Å²	189	136.2 Å²	136.2	88%	0.883	76%	0.763	S	S	*	*			trans	39.6	129.2	144.5	-65.3	173.9	103.2	0	0	124.1
424	A	33.1	Very low	30.6	Very low	92 Å²	92	138.9 Å²	138.9	76%	0.76	77%	0.766	S	S	*	*				-163.9	125.4	112.3	0	0	0	0	0	113.1
425	Q	33.5	Very low	30.2	Very low	178 Å²	178	137.9 Å²	137.9	83%	0.832	77%	0.766	S	S	*	*			trans	30.5	121	154.5	-65.6	163.2	-25.6	0	0	120.6
426	L	30.4	Very low	30	Very low	152 Å²	152	134 Å²	134	80%	0.796	76%	0.759	S	S	*	*				64.9	104.7	62.9	-67.3	170.6	0	0	0	113.6
427	V	30.3	Very low	30.3	Very low	114 Å²	114	133.3 Å²	133.3	69%	0.691	77%	0.765	S	S	*	*				86.1	130.4	96.1	152.8	0	0	0	0	112.4
428	Q	31.7	Very low	30.5	Very low	160 Å²	160	132.2 Å²	132.2	75%	0.748	76%	0.758	S	S	*	*			cis	-138.3	-149.3	0.9	-129.7	161.3	-115.3	0	0	109.2
429	N	26.9	Very low	30.6	Very low	118 Å²	118	136.4 Å²	136.4	63%	0.631	76%	0.763	S	S	*	*			cis	-153.2	173.5	11.1	-156	70.7	0	0	0	112.4
430	S	28.8	Very low	30.7	Very low	76 Å²	76	138.2 Å²	138.2	53%	0.531	76%	0.761	S	S	.	*			trans	-78.3	173.4	163.6	57.4	0	0	0	0	111.8
431	D	27.8	Very low	31	Very low	133 Å²	133	143.3 Å²	143.3	71%	0.711	77%	0.773	S	S	*	*			cis	-162.6	174.5	37.9	-104.8	-56.9	0	0	0	113.6
432	N	27.3	Very low	31.1	Very low	142 Å²	142	142.8 Å²	142.8	76%	0.759	77%	0.766	S	S	*	*			trans	76.3	150.3	174	-54.7	-78.6	0	0	0	117.2
433	L	30.6	Very low	31.1	Very low	142 Å²	142	150 Å²	150	74%	0.743	78%	0.778	S	S	*	*			cis	-171.8	165.5	-41.1	-120.4	170	0	0	0	107.3
434	E	29.1	Very low	31.1	Very low	162 Å²	162	145.7 Å²	145.7	76%	0.757	77%	0.77	S	S	*	*			trans	71.5	155.1	169.2	-66.1	-84.8	85.2	0	0	119.5
435	L	26.4	Very low	31.1	Very low	152 Å²	152	148.5 Å²	148.5	80%	0.796	77%	0.771	S	S	*	*			trans	60.6	83.9	163.8	-69.8	141.6	0	0	0	119.4
436	S	27.6	Very low	31.1	Very low	107 Å²	107	144 Å²	144	75%	0.748	77%	0.772	S	S	*	*				156.2	134.9	83.5	56.6	0	0	0	0	115.2	S438	S436-S438 PolarHBondContact O-N 2.89Å
437	S	36	Very low	31.2	Very low	124 Å²	124	147.2 Å²	147.2	87%	0.867	77%	0.774	S	S	*	*			trans	-81.7	91	175	52.2	0	0	0	0	112.2
438	S	34.4	Very low	31.2	Very low	106 Å²	106	146 Å²	146	74%	0.741	77%	0.77	S	S	*	*			trans	-155	37.8	-179	-83.1	0	0	0	0	116.6	S436	S436-S438 PolarHBondContact O-N 2.89Å
439	R	33.5	Very low	31.5	Very low	235 Å²	235	148.3 Å²	148.3	89%	0.887	78%	0.778	S	S	*	*	S	Bend	trans	-127.2	-5.4	178.1	-75.9	-170	171	179.5	-1.2	118.8
440	E	34.6	Very low	32	Very low	183 Å²	183	152.8 Å²	152.8	86%	0.855	79%	0.786	S	S	*	*	S	Bend	trans	-108.9	-11.6	-175.4	-62.4	-167.1	117.5	0	0	115.6	Q442	E440-Q442 PolarHBondContact O-N 3.3Å
441	L	32.2	Very low	32.4	Very low	172 Å²	172	157.4 Å²	157.4	90%	0.901	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	23.1	175.8	-75.6	173.1	0	0	0	114.8
442	Q	33.8	Very low	33.1	Very low	170 Å²	170	161.9 Å²	161.9	79%	0.794	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	11	-173.7	-103.3	-179.1	-12.8	0	0	116.2	E440	E440-Q442 PolarHBondContact O-N 3.3Å
443	R	32.3	Very low	34	Very low	242 Å²	242	165.2 Å²	165.2	91%	0.913	81%	0.813	S	S	*	*	S	Bend	trans	-113	31.1	177.9	-70.1	-172.4	176.2	135.3	-3.2	115.7
444	S	32.3	Very low	34.5	Very low	100 Å²	100	160.8 Å²	160.8	70%	0.699	80%	0.802	S	S	*	*			trans	-131.4	4.3	179.1	61.4	0	0	0	0	116.2	G446	S444-G446 VanDerWaalsContact C-N 3.31Å; S444-G446 PolarHBondContact O-N 2.91Å
445	L	34.7	Very low	35.6	Very low	150 Å²	150	156.7 Å²	156.7	79%	0.785	79%	0.79	S	S	*	*			trans	-90.8	41.2	-178.8	-67.3	-179	0	0	0	114.8	R447	L445-R447 PolarHBondContact O-N 3.26Å
446	G	33.3	Very low	37	Very low	83 Å²	83	152.5 Å²	152.5	86%	0.856	77%	0.77	S	S	*	*			trans	-69.4	53.4	166.1	0	0	0	0	0	112.8	S444 S448	S444-G446 VanDerWaalsContact C-N 3.31Å; S444-G446 PolarHBondContact O-N 2.91Å; G446-S448 PolarHBondContact O-N 3.32Å; G446-S448 VanDerWaalsContact O-N 3.1Å
447	R	31.5	Very low	38.2	Very low	220 Å²	220	152.7 Å²	152.7	83%	0.83	76%	0.762	S	S	*	*			trans	-75	104	-169.2	-159.1	-178.2	-160.1	-171.4	9.5	110.8	L445 K449	L445-R447 PolarHBondContact O-N 3.26Å; R447-K449 PolarHBondContact O-N 3.38Å
448	S	29.7	Very low	39.1	Very low	88 Å²	88	150 Å²	150	62%	0.615	74%	0.735	S	S	*	*			trans	-36.4	119.6	176.9	-179.1	0	0	0	0	113.5	G446 R450	G446-S448 PolarHBondContact O-N 3.32Å; G446-S448 VanDerWaalsContact O-N 3.1Å; S448-R450 PolarHBondContact O-N 2.86Å
449	K	38.4	Very low	40	Very low	209 Å²	209	150.7 Å²	150.7	91%	0.909	75%	0.747	S	S	*	*			trans	-71.3	60.9	175.3	-70.6	-178.4	176.9	174.5	0	111.8	R447	R447-K449 PolarHBondContact O-N 3.38Å
450	R	38.7	Very low	41.1	Very low	213 Å²	213	144.4 Å²	144.4	80%	0.804	73%	0.731	S	S	*	*			trans	-83.9	126.6	164.6	-76.5	-174.3	175.4	-173	-1.6	109.3	S448 R452	S448-R450 PolarHBondContact O-N 2.86Å; R450-R452 PolarHBondContact O-N 2.86Å
451	N	37	Very low	41.9	Very low	172 Å²	172	138.3 Å²	138.3	92%	0.92	72%	0.718	S	S	*	*			trans	-56.6	90.6	-175.4	-76.9	-20.7	0	0	0	113.3
452	R	42.2	Very low	43	Very low	228 Å²	228	136 Å²	136	86%	0.86	70%	0.704	S	S	*	*			trans	-94.6	111.4	155.6	-61.6	-171.4	-174.3	-147.7	1.4	106.8	R450 G454	R450-R452 PolarHBondContact O-N 2.86Å; R452-G454 PolarHBondContact O-N 3.21Å
453	R	44.8	Very low	44.3	Very low	212 Å²	212	132.5 Å²	132.5	80%	0.8	69%	0.69	S	S	*	*			trans	-56.4	125.3	159.8	-62	-170.6	-170.3	-139.7	1.3	105.4	E55	E55-R453 IonicContact OE1-CZ 3.48Å; E55-R453 IonicContact OE1-NH1 2.62Å; E55-R453 PolarHBondContact OE1-NH1 3.06Å; E55-R453 IonicContact OE1-NH2 2.66Å; E55-R453 PolarHBondContact OE1-NH2 2.82Å
454	G	43.1	Very low	46.2	Very low	49 Å²	49	124.2 Å²	124.2	51%	0.505	66%	0.66	S	S	.	*			trans	-63.3	174.9	-170.3	0	0	0	0	0	113	R452 V456	R452-G454 PolarHBondContact O-N 3.21Å; G454-V456 PolarHBondContact O-N 3.08Å
455	P	50.3	Low	48.5	Very low	76 Å²	76	124.7 Å²	124.7	49%	0.494	65%	0.653	S	S	.	*			trans	-48.2	133.3	168.6	-25.4	35.1	0	0	0	110.4	I457 L463 V478	P455-I457 PolarHBondContact O-N 3.22Å; P455-I457 VanDerWaalsContact O-N 3.17Å; P455-L463 HydrophobicContact CB-CD2 3.49Å; P455-L463 VanDerWaalsContact CB-CD2 3.49Å; P455-L463 HydrophobicContact CG-CD2 4.3Å; P455-V478 HydrophobicContact CB-CG1 3.98Å; P455-V478 HydrophobicContact CG-CG1 4.39Å
456	V	56.1	Low	50.5	Low	63 Å²	63	119.3 Å²	119.3	38%	0.382	62%	0.623	S	S	.	*			trans	-77.8	106.4	177.4	177.4	0	0	0	0	106.8	G454 K464 I480	G454-V456 PolarHBondContact O-N 3.08Å; V456-K464 HydrophobicContact CB-CB 4.06Å; V456-K464 HydrophobicContact CB-CD 4.35Å; V456-K464 HydrophobicContact CG1-CB 4.18Å; V456-K464 HydrophobicContact CG1-CD 3.91Å; V456-K464 WeakPolarHBondContact O-CB 3.47Å; V456-K464 PolarHBondContact O-N 3.16Å; V456-I480 HydrophobicContact CG2-CD1 4.27Å
457	I	52.8	Low	52.8	Low	112 Å²	112	120.9 Å²	120.9	57%	0.574	61%	0.608	S	S	*	*	B	Isolated β-bridge	trans	-82.3	130.8	174.6	-51.7	178.2	0	0	0	107.5	P455 G461 M462	P455-I457 PolarHBondContact O-N 3.22Å; P455-I457 VanDerWaalsContact O-N 3.17Å; I457-G461 WeakPolarHBondContact CG2-O 3.43Å; I457-M462 CarbonylContact C-O 3.41Å; I457-M462 WeakPolarHBondContact CA-O 3.38Å
458	E	55.7	Low	55.3	Low	68 Å²	68	111 Å²	111	32%	0.318	57%	0.573	S	S	.	*			trans	-78.6	169.6	174	-58.8	-132.9	146.1	0	0	110.8	D460 G461 M462 K464	E458-D460 WeakPolarHBondContact CB-OD1 3.13Å; E458-D460 PolarHBondContact O-N 3.25Å; E458-G461 PolarHBondContact O-N 3.16Å; E458-M462 PolarHBondContact N-O 3.5Å; E458-K464 HydrophobicContact CG-CB 3.86Å; E458-K464 HydrophobicContact CG-CD 4.44Å; E458-K464 HydrophobicContact CG-CG 4.25Å; E458-K464 WeakPolarHBondContact OE1-CD 3.46Å; E458-K464 WeakPolarHBondContact OE1-CE 3.36Å; E458-K464 WeakPolarHBondContact OE1-CG 3.37Å; E458-K464 IonicContact OE1-NZ 3.68Å; E458-K464 PolarHBondContact OE1-NZ 2.87Å
459	A	54	Low	57.6	Low	120 Å²	120	111.5 Å²	111.5	99%	0.992	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-2.9	-169.9	0	0	0	0	0	114.8
460	D	55.1	Low	59.5	Low	102 Å²	102	105.5 Å²	105.5	55%	0.545	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.4	174.6	49.4	25.5	0	0	0	113	E458 M462	E458-D460 WeakPolarHBondContact CB-OD1 3.13Å; E458-D460 PolarHBondContact O-N 3.25Å; D460-M462 WeakPolarHBondContact OD1-CB 3.46Å; D460-M462 PolarHBondContact OD1-N 2.97Å; D460-M462 VanDerWaalsContact OD2-CE 3.23Å; D460-M462 WeakPolarHBondContact OD2-CE 3.33Å
461	G	52.6	Low	61.1	Low	56 Å²	56	104.5 Å²	104.5	58%	0.577	55%	0.551	S	S	*	*	S	Bend	trans	92.3	-2.6	-176.3	0	0	0	0	0	114.9	I457 E458	I457-G461 WeakPolarHBondContact CG2-O 3.43Å; E458-G461 PolarHBondContact O-N 3.16Å
462	M	54	Low	63	Low	124 Å²	124	100.4 Å²	100.4	61%	0.611	55%	0.55	S	S	*	.			trans	-79.2	148.3	-179.3	-65.3	-163.7	-73.2	0	0	112.8	I457 E458 D460 K464	I457-M462 CarbonylContact C-O 3.41Å; I457-M462 WeakPolarHBondContact CA-O 3.38Å; E458-M462 PolarHBondContact N-O 3.5Å; D460-M462 WeakPolarHBondContact OD1-CB 3.46Å; D460-M462 PolarHBondContact OD1-N 2.97Å; D460-M462 VanDerWaalsContact OD2-CE 3.23Å; D460-M462 WeakPolarHBondContact OD2-CE 3.33Å; M462-K464 PolarHBondContact O-N 3.5Å
463	L	62.5	Low	64.8	Low	96 Å²	96	90.8 Å²	90.8	50%	0.503	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-74.8	117.2	175.7	-72	166.4	0	0	0	110.4	P455 M465 V478	P455-L463 HydrophobicContact CB-CD2 3.49Å; P455-L463 VanDerWaalsContact CB-CD2 3.49Å; P455-L463 HydrophobicContact CG-CD2 4.3Å; L463-M465 PolarHBondContact O-N 3.43Å; L463-M465 VanDerWaalsContact O-N 3.17Å; L463-V478 HydrophobicContact CB-CG1 4.44Å; L463-V478 HydrophobicContact CD2-CG1 4.29Å
464	K	71.4	Confident	66.7	Low	67 Å²	67	85.8 Å²	85.8	29%	0.291	51%	0.514	S	S	.	.			trans	-66.8	115.1	177.9	-171	174.4	-174.7	63.9	0	111.2	V456 E458 M462 F466	V456-K464 HydrophobicContact CB-CB 4.06Å; V456-K464 HydrophobicContact CB-CD 4.35Å; V456-K464 HydrophobicContact CG1-CB 4.18Å; V456-K464 HydrophobicContact CG1-CD 3.91Å; V456-K464 WeakPolarHBondContact O-CB 3.47Å; V456-K464 PolarHBondContact O-N 3.16Å; E458-K464 HydrophobicContact CG-CB 3.86Å; E458-K464 HydrophobicContact CG-CD 4.44Å; E458-K464 HydrophobicContact CG-CG 4.25Å; E458-K464 WeakPolarHBondContact OE1-CD 3.46Å; E458-K464 WeakPolarHBondContact OE1-CE 3.36Å; E458-K464 WeakPolarHBondContact OE1-CG 3.37Å; E458-K464 IonicContact OE1-NZ 3.68Å; E458-K464 PolarHBondContact OE1-NZ 2.87Å; M462-K464 PolarHBondContact O-N 3.5Å; K464-F466 HydrophobicContact CB-CE2 4.32Å; K464-F466 HydrophobicContact CB-CZ 4.42Å; K464-F466 HydrophobicContact CD-CE1 4.01Å; K464-F466 HydrophobicContact CD-CE2 4.3Å; K464-F466 HydrophobicContact CD-CZ 3.59Å; K464-F466 HydrophobicContact CG-CE1 4.32Å; K464-F466 HydrophobicContact CG-CE2 4.06Å; K464-F466 HydrophobicContact CG-CZ 3.82Å; K464-F466 WeakPolarHBondContact O-CE2 3.46Å
465	M	79.6	Confident	68.7	Low	111 Å²	111	87.9 Å²	87.9	55%	0.547	51%	0.511	S	S	.	.			trans	-91.5	145.9	173.5	-67.8	-177.5	-73	0	0	111.5	L463 V476 Y477	L463-M465 PolarHBondContact O-N 3.43Å; L463-M465 VanDerWaalsContact O-N 3.17Å; M465-V476 HydrophobicContact CB-CG1 3.81Å; M465-V476 HydrophobicContact CG-CG1 4.27Å; M465-V476 HydrophobicContact SD-CG1 4.21Å; M465-Y477 CarbonylContact C-O 3.22Å
466	F	78.6	Confident	70.3	Confident	36 Å²	36	87.1 Å²	87.1	16%	0.158	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	101.4	-179.5	-60.5	-87.7	0	0	0	108.3	K464 Y477 I480 F483	K464-F466 HydrophobicContact CB-CE2 4.32Å; K464-F466 HydrophobicContact CB-CZ 4.42Å; K464-F466 HydrophobicContact CD-CE1 4.01Å; K464-F466 HydrophobicContact CD-CE2 4.3Å; K464-F466 HydrophobicContact CD-CZ 3.59Å; K464-F466 HydrophobicContact CG-CE1 4.32Å; K464-F466 HydrophobicContact CG-CE2 4.06Å; K464-F466 HydrophobicContact CG-CZ 3.82Å; K464-F466 WeakPolarHBondContact O-CE2 3.46Å; F466-Y477 WeakPolarHBondContact CD2-O 3.47Å; F466-Y477 PolarHBondContact N-O 3.29Å; F466-Y477 PolarHBondContact O-N 3.37Å; F466-I480 HydrophobicContact CD1-CG1 4.28Å; F466-I480 HydrophobicContact CD2-CG1 4.3Å; F466-I480 HydrophobicContact CE1-CD1 4.2Å; F466-I480 HydrophobicContact CE1-CG1 3.62Å; F466-I480 HydrophobicContact CE2-CG1 3.66Å; F466-I480 HydrophobicContact CZ-CD1 3.82Å; F466-I480 HydrophobicContact CZ-CG1 3.26Å; F466-F483 HydrophobicContact CB-CB 4.01Å; F466-F483 HydrophobicContact CB-CD2 4.07Å; F466-F483 HydrophobicContact CB-CG 4.03Å
467	H	81.3	Confident	71.6	Confident	116 Å²	116	86.2 Å²	86.2	54%	0.537	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	147.6	177.3	-61.4	-103.8	0	0	0	110.4	V476 F483	H467-V476 WeakPolarHBondContact ND1-CG2 3.27Å; H467-F483 VanDerWaalsContact O-CE2 3.27Å; H467-F483 WeakPolarHBondContact O-CE2 3.44Å
468	C	83.1	Confident	72.8	Confident	14 Å²	14	84.1 Å²	84.1	10%	0.095	49%	0.487	C	S	.	.			trans	-66.6	129.5	171.6	-161.4	0	0	0	0	111	Y470 C473 Q475 H486 H491	C468-Y470 VanDerWaalsContact C-N 3.28Å; C468-Y470 PolarHBondContact O-N 2.94Å; C468-C473 HydrophobicContact CB-CB 3.96Å; C468-Q475 PolarHBondContact N-O 2.89Å; C468-H486 PolarHBondContact SG-NE2 3.24Å; C468-H491 VanDerWaalsContact SG-CD2 3.59Å; C468-H491 PolarHBondContact SG-NE2 2.9Å; C468-H491 VanDerWaalsContact SG-NE2 3.37Å
469	P	78.3	Confident	73.9	Confident	98 Å²	98	82.3 Å²	82.3	64%	0.636	48%	0.483	S	S	*	.			trans	-90.5	17	178.7	38.8	-39.9	0	0	0	113	F483	P469-F483 HydrophobicContact CG-CZ 4.46Å
470	Y	78.8	Confident	75.1	Confident	83 Å²	83	79.5 Å²	79.5	33%	0.325	45%	0.451	S	S	.	.	S	Bend	trans	-101.9	129.5	179.7	-75.5	-92.2	0	0	0	109.5	C468 C473 V487 H491 R492	C468-Y470 VanDerWaalsContact C-N 3.28Å; C468-Y470 PolarHBondContact O-N 2.94Å; Y470-C473 WeakPolarHBondContact O-CB 2.78Å; Y470-C473 PolarHBondContact O-N 3.19Å; Y470-V487 HydrophobicContact CE2-CG1 3.86Å; Y470-V487 HydrophobicContact CE2-CG2 4.27Å; Y470-H491 HydrophobicContact CD1-CB 3.9Å; Y470-H491 AromaticContact CD1-CG 3.84Å; Y470-H491 AromaticContact CD1-ND1 3.83Å; Y470-H491 HydrophobicContact CD2-CB 3.85Å; Y470-H491 AromaticContact CD2-CD2 3.63Å; Y470-H491 AromaticContact CD2-CG 3.56Å; Y470-H491 HydrophobicContact CE1-CB 3.75Å; Y470-H491 HydrophobicContact CE2-CB 3.69Å; Y470-H491 AromaticContact CE2-CG 3.96Å; Y470-H491 HydrophobicContact CG-CB 3.95Å; Y470-H491 AromaticContact CG-CD2 3.86Å; Y470-H491 AromaticContact CG-CE1 3.98Å; Y470-H491 AromaticContact CG-CG 3.5Å; Y470-H491 VanDerWaalsContact CG-CG 3.5Å; Y470-H491 AromaticContact CG-ND1 3.58Å; Y470-R492 PolarHBondContact OH-NE 3.48Å
471	E	71.8	Confident	76	Confident	191 Å²	191	77.9 Å²	77.9	89%	0.893	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	139.9	176.3	-65.5	-57.5	153	0	0	111.6	C473	E471-C473 PolarHBondContact O-N 3.37Å
472	G	76.3	Confident	77.3	Confident	87 Å²	87	77.7 Å²	77.7	90%	0.897	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-6.8	-173.2	0	0	0	0	0	115.7
473	C	81.4	Confident	78.7	Confident	25 Å²	25	74 Å²	74	17%	0.169	42%	0.418	C	S	.	.			trans	-107.1	102.3	-178.4	-161.5	0	0	0	0	114.2	C468 Y470 E471 Q475 H486 H491	C468-C473 HydrophobicContact CB-CB 3.96Å; Y470-C473 WeakPolarHBondContact O-CB 2.78Å; Y470-C473 PolarHBondContact O-N 3.19Å; E471-C473 PolarHBondContact O-N 3.37Å; C473-Q475 VanDerWaalsContact C-N 3.27Å; C473-Q475 PolarHBondContact O-N 3.44Å; C473-H486 PolarHBondContact SG-CE1 3.4Å; C473-H486 PolarHBondContact SG-NE2 2.93Å; C473-H486 VanDerWaalsContact SG-NE2 3.37Å; C473-H491 PolarHBondContact SG-NE2 3.38Å
474	S	83.6	Confident	79.4	Confident	107 Å²	107	74.4 Å²	74.4	75%	0.748	42%	0.418	S	S	*	.			trans	-80.9	8.6	179.4	55.9	0	0	0	0	115.5	V476	S474-V476 WeakPolarHBondContact O-CG2 2.86Å
475	Q	85.4	Confident	79.7	Confident	93 Å²	93	74.4 Å²	74.4	44%	0.435	42%	0.421	S	S	.	.			trans	-72.7	139.4	-171	-69.8	-65.3	-41.4	0	0	113.6	C468 C473 Y477	C468-Q475 PolarHBondContact N-O 2.89Å; C473-Q475 VanDerWaalsContact C-N 3.27Å; C473-Q475 PolarHBondContact O-N 3.44Å; Q475-Y477 HydrophobicContact CB-CE2 3.76Å; Q475-Y477 WeakPolarHBondContact CB-OH 3.27Å; Q475-Y477 PolarHBondContact OE1-OH 3.48Å
476	V	83.4	Confident	79.9	Confident	60 Å²	60	69.8 Å²	69.8	36%	0.364	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.3	-174.8	-167.1	0	0	0	0	111.1	M465 H467 S474	M465-V476 HydrophobicContact CB-CG1 3.81Å; M465-V476 HydrophobicContact CG-CG1 4.27Å; M465-V476 HydrophobicContact SD-CG1 4.21Å; H467-V476 WeakPolarHBondContact ND1-CG2 3.27Å; S474-V476 WeakPolarHBondContact O-CG2 2.86Å
477	Y	84.6	Confident	80	Confident	45 Å²	45	68.6 Å²	68.6	18%	0.176	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.6	-174.9	-59.7	-76.8	0	0	0	112.5	M465 F466 Q475 A479 F483 H486	M465-Y477 CarbonylContact C-O 3.22Å; F466-Y477 WeakPolarHBondContact CD2-O 3.47Å; F466-Y477 PolarHBondContact N-O 3.29Å; F466-Y477 PolarHBondContact O-N 3.37Å; Q475-Y477 HydrophobicContact CB-CE2 3.76Å; Q475-Y477 WeakPolarHBondContact CB-OH 3.27Å; Q475-Y477 PolarHBondContact OE1-OH 3.48Å; Y477-A479 VanDerWaalsContact C-N 3.33Å; Y477-F483 HydrophobicContact CD2-CB 3.91Å; Y477-F483 HydrophobicContact CD2-CD2 4.25Å; Y477-F483 HydrophobicContact CG-CB 4.16Å; Y477-H486 HydrophobicContact CE1-CB 4.36Å; Y477-H486 HydrophobicContact CE2-CB 3.63Å; Y477-H486 AromaticContact CE2-CD2 3.52Å; Y477-H486 AromaticContact CE2-CG 3.54Å; Y477-H486 AromaticContact CZ-CG 3.61Å; Y477-H486 WeakPolarHBondContact OH-CB 3.34Å; Y477-H486 PolarHBondContact OH-ND1 3.45Å
478	V	78	Confident	79.8	Confident	67 Å²	67	65.7 Å²	65.7	41%	0.406	38%	0.382	S	S	.	.	S	Bend	trans	-84.2	-9.4	174.4	-177.8	0	0	0	0	112.3	P455 L463	P455-V478 HydrophobicContact CB-CG1 3.98Å; P455-V478 HydrophobicContact CG-CG1 4.39Å; L463-V478 HydrophobicContact CB-CG1 4.44Å; L463-V478 HydrophobicContact CD2-CG1 4.29Å
479	A	78.9	Confident	79.5	Confident	30 Å²	30	68.5 Å²	68.5	25%	0.248	40%	0.396	C	S	.	.	S	Bend	trans	-131.5	133.6	-178.4	0	0	0	0	0	112	Y477 S481 S482 F483	Y477-A479 VanDerWaalsContact C-N 3.33Å; A479-S481 PolarHBondContact O-N 3.2Å; A479-S482 PolarHBondContact O-N 3.17Å; A479-S482 VanDerWaalsContact O-N 3.08Å; A479-F483 PolarHBondContact O-N 3.01Å; A479-F483 VanDerWaalsContact O-N 3.16Å
480	I	78.1	Confident	79.4	Confident	61 Å²	61	67.5 Å²	67.5	31%	0.313	39%	0.388	S	S	.	.	H	α-helix	trans	-55	-38.5	179.7	-61.6	171.9	0	0	0	111.7	V456 F466 F483 Q484	V456-I480 HydrophobicContact CG2-CD1 4.27Å; F466-I480 HydrophobicContact CD1-CG1 4.28Å; F466-I480 HydrophobicContact CD2-CG1 4.3Å; F466-I480 HydrophobicContact CE1-CD1 4.2Å; F466-I480 HydrophobicContact CE1-CG1 3.62Å; F466-I480 HydrophobicContact CE2-CG1 3.66Å; F466-I480 HydrophobicContact CZ-CD1 3.82Å; F466-I480 HydrophobicContact CZ-CG1 3.26Å; I480-F483 WeakPolarHBondContact O-CB 3.4Å; I480-F483 PolarHBondContact O-N 3.35Å; I480-Q484 HydrophobicContact CG2-CG 4.25Å; I480-Q484 WeakPolarHBondContact O-CB 3.38Å; I480-Q484 VanDerWaalsContact O-CG 3.27Å; I480-Q484 WeakPolarHBondContact O-CG 3.26Å; I480-Q484 PolarHBondContact O-N 2.74Å
481	S	74.3	Confident	79.4	Confident	68 Å²	68	66.1 Å²	66.1	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-68.3	-36.2	179.5	48.5	0	0	0	0	113.2	A479 Q484 N485	A479-S481 PolarHBondContact O-N 3.2Å; S481-Q484 PolarHBondContact O-N 3.31Å; S481-N485 WeakPolarHBondContact O-CB 3.24Å; S481-N485 PolarHBondContact O-N 3.47Å; S481-N485 PolarHBondContact O-ND2 3.12Å; S481-N485 PolarHBondContact O-OD1 3.33Å
482	S	80.8	Confident	79.3	Confident	52 Å²	52	62.7 Å²	62.7	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-44.2	174.3	-56.6	0	0	0	0	111	A479 N485 H486	A479-S482 PolarHBondContact O-N 3.17Å; A479-S482 VanDerWaalsContact O-N 3.08Å; S482-N485 PolarHBondContact O-N 2.94Å; S482-H486 WeakPolarHBondContact O-CB 3.49Å; S482-H486 PolarHBondContact O-N 2.85Å
483	F	82.2	Confident	78.8	Confident	46 Å²	46	66.2 Å²	66.2	20%	0.202	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-48.1	173.1	167	-98.7	0	0	0	112.3	F466 H467 P469 Y477 A479 I480 N485 H486 V487	F466-F483 HydrophobicContact CB-CB 4.01Å; F466-F483 HydrophobicContact CB-CD2 4.07Å; F466-F483 HydrophobicContact CB-CG 4.03Å; H467-F483 VanDerWaalsContact O-CE2 3.27Å; H467-F483 WeakPolarHBondContact O-CE2 3.44Å; P469-F483 HydrophobicContact CG-CZ 4.46Å; Y477-F483 HydrophobicContact CD2-CB 3.91Å; Y477-F483 HydrophobicContact CD2-CD2 4.25Å; Y477-F483 HydrophobicContact CG-CB 4.16Å; A479-F483 PolarHBondContact O-N 3.01Å; A479-F483 VanDerWaalsContact O-N 3.16Å; I480-F483 WeakPolarHBondContact O-CB 3.4Å; I480-F483 PolarHBondContact O-N 3.35Å; F483-N485 PolarHBondContact O-N 3.06Å; F483-H486 PolarHBondContact O-N 2.84Å; F483-V487 HydrophobicContact CD2-CG2 4.39Å; F483-V487 HydrophobicContact CE1-CG2 4.43Å; F483-V487 HydrophobicContact CE2-CG2 3.99Å; F483-V487 HydrophobicContact CZ-CG2 4.01Å; F483-V487 WeakPolarHBondContact O-CG2 3.44Å; F483-V487 PolarHBondContact O-N 3.15Å
484	Q	78	Confident	77.6	Confident	105 Å²	105	68.6 Å²	68.6	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-40.8	177.7	-75.7	172.7	-23.4	0	0	112.4	I480 S481 V487 N488	I480-Q484 HydrophobicContact CG2-CG 4.25Å; I480-Q484 WeakPolarHBondContact O-CB 3.38Å; I480-Q484 VanDerWaalsContact O-CG 3.27Å; I480-Q484 WeakPolarHBondContact O-CG 3.26Å; I480-Q484 PolarHBondContact O-N 2.74Å; S481-Q484 PolarHBondContact O-N 3.31Å; Q484-V487 PolarHBondContact O-N 2.78Å; Q484-N488 WeakPolarHBondContact O-CB 3.34Å; Q484-N488 PolarHBondContact O-N 2.79Å; Q484-N488 PolarHBondContact O-ND2 3.18Å; Q484-N488 VanDerWaalsContact O-ND2 3.16Å
485	N	78.3	Confident	76.5	Confident	67 Å²	67	72.5 Å²	72.5	36%	0.358	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-45.2	175.2	-73.2	-8.9	0	0	0	111.4	S481 S482 F483 N488 L489 L510	S481-N485 WeakPolarHBondContact O-CB 3.24Å; S481-N485 PolarHBondContact O-N 3.47Å; S481-N485 PolarHBondContact O-ND2 3.12Å; S481-N485 PolarHBondContact O-OD1 3.33Å; S482-N485 PolarHBondContact O-N 2.94Å; F483-N485 PolarHBondContact O-N 3.06Å; N485-N488 PolarHBondContact O-N 2.98Å; N485-L489 WeakPolarHBondContact O-CB 3.36Å; N485-L489 WeakPolarHBondContact O-CG 3.39Å; N485-L489 PolarHBondContact O-N 3.17Å; N485-L510 HydrophobicContact CB-CD1 4.49Å; N485-L510 HydrophobicContact CB-CD2 4.06Å
486	H	83.3	Confident	76	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.065	37%	0.373	C	S	.	.	H	α-helix	trans	-59.7	-49.4	175.9	161.4	70.6	0	0	0	112.1	C468 C473 Y477 S482 F483 N488 L489 V490 H491	C468-H486 PolarHBondContact SG-NE2 3.24Å; C473-H486 PolarHBondContact SG-CE1 3.4Å; C473-H486 PolarHBondContact SG-NE2 2.93Å; C473-H486 VanDerWaalsContact SG-NE2 3.37Å; Y477-H486 HydrophobicContact CE1-CB 4.36Å; Y477-H486 HydrophobicContact CE2-CB 3.63Å; Y477-H486 AromaticContact CE2-CD2 3.52Å; Y477-H486 AromaticContact CE2-CG 3.54Å; Y477-H486 AromaticContact CZ-CG 3.61Å; Y477-H486 WeakPolarHBondContact OH-CB 3.34Å; Y477-H486 PolarHBondContact OH-ND1 3.45Å; S482-H486 WeakPolarHBondContact O-CB 3.49Å; S482-H486 PolarHBondContact O-N 2.85Å; F483-H486 PolarHBondContact O-N 2.84Å; H486-N488 PolarHBondContact O-N 2.61Å; H486-L489 PolarHBondContact O-N 3.26Å; H486-L489 VanDerWaalsContact O-N 3.13Å; H486-V490 WeakPolarHBondContact ND1-CG2 3.4Å; H486-V490 PolarHBondContact O-N 2.71Å; H486-H491 AromaticContact CE1-NE2 3.67Å; H486-H491 AromaticContact NE2-CD2 3.7Å; H486-H491 AromaticContact NE2-NE2 3.44Å; H486-H491 PolarHBondContact NE2-NE2 3.15Å
487	V	80	Confident	75.8	Confident	11 Å²	11	73.7 Å²	73.7	7%	0.067	38%	0.383	C	S	.	.	I	π-helix	trans	-60.5	-35.1	176.6	168.4	0	0	0	0	111.8	Y470 F483 Q484 H491 R492	Y470-V487 HydrophobicContact CE2-CG1 3.86Å; Y470-V487 HydrophobicContact CE2-CG2 4.27Å; F483-V487 HydrophobicContact CD2-CG2 4.39Å; F483-V487 HydrophobicContact CE1-CG2 4.43Å; F483-V487 HydrophobicContact CE2-CG2 3.99Å; F483-V487 HydrophobicContact CZ-CG2 4.01Å; F483-V487 WeakPolarHBondContact O-CG2 3.44Å; F483-V487 PolarHBondContact O-N 3.15Å; Q484-V487 PolarHBondContact O-N 2.78Å; V487-H491 PolarHBondContact O-N 3.16Å; V487-R492 HydrophobicContact CG1-CG 4.12Å; V487-R492 WeakPolarHBondContact O-CB 3.1Å; V487-R492 PolarHBondContact O-N 2.93Å
488	N	76.7	Confident	75.8	Confident	56 Å²	56	75.1 Å²	75.1	30%	0.299	40%	0.396	S	S	.	.	I	π-helix	trans	-75.6	-28.1	176.2	-70	-24.5	0	0	0	114.1	Q484 N485 H486	Q484-N488 WeakPolarHBondContact O-CB 3.34Å; Q484-N488 PolarHBondContact O-N 2.79Å; Q484-N488 PolarHBondContact O-ND2 3.18Å; Q484-N488 VanDerWaalsContact O-ND2 3.16Å; N485-N488 PolarHBondContact O-N 2.98Å; H486-N488 PolarHBondContact O-N 2.61Å
489	L	77.7	Confident	76.3	Confident	73 Å²	73	72.2 Å²	72.2	38%	0.382	38%	0.379	S	S	.	.	I	π-helix	trans	-83.4	-51.7	178.5	-79.4	163.4	0	0	0	112.5	N485 H486 Y509 L510	N485-L489 WeakPolarHBondContact O-CB 3.36Å; N485-L489 WeakPolarHBondContact O-CG 3.39Å; N485-L489 PolarHBondContact O-N 3.17Å; H486-L489 PolarHBondContact O-N 3.26Å; H486-L489 VanDerWaalsContact O-N 3.13Å; L489-Y509 HydrophobicContact CD2-CD2 4.24Å; L489-Y509 HydrophobicContact CD2-CG 4.22Å; L489-L510 HydrophobicContact CD1-CD1 4.06Å; L489-L510 HydrophobicContact CD1-CG 4.48Å; L489-L510 HydrophobicContact CD2-CG 4.4Å; L489-L510 HydrophobicContact CG-CD1 4.49Å; L489-L510 HydrophobicContact CG-CG 4.38Å
490	V	75.9	Confident	76.6	Confident	77 Å²	77	75.6 Å²	75.6	47%	0.467	40%	0.398	S	S	.	.	I	π-helix	trans	-88.4	-45.2	-168.8	-177.3	0	0	0	0	111.4	H486	H486-V490 WeakPolarHBondContact ND1-CG2 3.4Å; H486-V490 PolarHBondContact O-N 2.71Å
491	H	79.3	Confident	76.9	Confident	53 Å²	53	76.6 Å²	76.6	25%	0.245	40%	0.402	C	S	.	.	I	π-helix	trans	-103.8	-29.3	-168	-59.8	-65.6	0	0	0	114.3	C468 Y470 C473 H486 V487	C468-H491 VanDerWaalsContact SG-CD2 3.59Å; C468-H491 PolarHBondContact SG-NE2 2.9Å; C468-H491 VanDerWaalsContact SG-NE2 3.37Å; Y470-H491 HydrophobicContact CD1-CB 3.9Å; Y470-H491 AromaticContact CD1-CG 3.84Å; Y470-H491 AromaticContact CD1-ND1 3.83Å; Y470-H491 HydrophobicContact CD2-CB 3.85Å; Y470-H491 AromaticContact CD2-CD2 3.63Å; Y470-H491 AromaticContact CD2-CG 3.56Å; Y470-H491 HydrophobicContact CE1-CB 3.75Å; Y470-H491 HydrophobicContact CE2-CB 3.69Å; Y470-H491 AromaticContact CE2-CG 3.96Å; Y470-H491 HydrophobicContact CG-CB 3.95Å; Y470-H491 AromaticContact CG-CD2 3.86Å; Y470-H491 AromaticContact CG-CE1 3.98Å; Y470-H491 AromaticContact CG-CG 3.5Å; Y470-H491 VanDerWaalsContact CG-CG 3.5Å; Y470-H491 AromaticContact CG-ND1 3.58Å; C473-H491 PolarHBondContact SG-NE2 3.38Å; H486-H491 AromaticContact CE1-NE2 3.67Å; H486-H491 AromaticContact NE2-CD2 3.7Å; H486-H491 AromaticContact NE2-NE2 3.44Å; H486-H491 PolarHBondContact NE2-NE2 3.15Å; V487-H491 PolarHBondContact O-N 3.16Å
492	R	69.4	Low	77.4	Confident	120 Å²	120	78.5 Å²	78.5	45%	0.453	41%	0.412	S	S	.	.			trans	-109.3	64.8	-177.1	-62.9	-178.5	170.6	-170.9	-11.2	112.7	Y470 V487 G494	Y470-R492 PolarHBondContact OH-NE 3.48Å; V487-R492 HydrophobicContact CG1-CG 4.12Å; V487-R492 WeakPolarHBondContact O-CB 3.1Å; V487-R492 PolarHBondContact O-N 2.93Å; R492-G494 PolarHBondContact O-N 3.02Å
493	K	64.9	Low	77.5	Confident	160 Å²	160	80.4 Å²	80.4	70%	0.696	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-13.6	176.6	-64.6	-176	178.2	-179.3	0	115.1
494	G	56.7	Low	77.8	Confident	75 Å²	75	79.6 Å²	79.6	77%	0.773	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	7.1	-172.3	0	0	0	0	0	118.9	R492	R492-G494 PolarHBondContact O-N 3.02Å
495	R	60.9	Low	78.1	Confident	190 Å²	190	76.7 Å²	76.7	72%	0.717	44%	0.439	S	S	*	.			trans	-134.3	64.9	174.4	-79.4	-163.8	-75.7	-162.3	-7.7	113.8
496	T	75.2	Confident	78.4	Confident	44 Å²	44	77.9 Å²	77.9	27%	0.27	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-74.3	149.8	163.6	50.4	0	0	0	0	111.6	K507 F508 Y509	T496-K507 HydrophobicContact CG2-CB 4.07Å; T496-F508 CarbonylContact C-O 3.58Å; T496-F508 WeakPolarHBondContact CA-O 3.15Å; T496-Y509 HydrophobicContact CG2-CD1 3.54Å; T496-Y509 HydrophobicContact CG2-CD2 4.21Å; T496-Y509 HydrophobicContact CG2-CE1 3.27Å; T496-Y509 HydrophobicContact CG2-CE2 4Å; T496-Y509 HydrophobicContact CG2-CG 3.99Å
497	K	79.8	Confident	78.4	Confident	133 Å²	133	83.9 Å²	83.9	58%	0.578	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.9	161.7	-64.8	-63.7	-169.5	171.7	0	107.8	F508 L514	K497-F508 PolarHBondContact N-O 3.04Å; K497-F508 PolarHBondContact O-N 3Å; K497-L514 HydrophobicContact CB-CD2 3.7Å
498	V	83.7	Confident	78.6	Confident	75 Å²	75	85.1 Å²	85.1	46%	0.455	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	147.7	174.9	-165	0	0	0	0	108.8	K507	V498-K507 HydrophobicContact CG1-CG 4.36Å; V498-K507 HydrophobicContact CG2-CG 4.26Å
499	C	89.1	Confident	78.7	Confident	7 Å²	7	87 Å²	87	5%	0.047	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-63.6	126.9	166.6	-176.3	0	0	0	0	110	H501 C504 K506 F508 L514 H517 H521	C499-H501 PolarHBondContact O-N 2.79Å; C499-H501 VanDerWaalsContact SG-CB 3.52Å; C499-H501 PolarHBondContact SG-N 3.32Å; C499-H501 VanDerWaalsContact SG-N 3.43Å; C499-C504 HydrophobicContact CB-CB 4.34Å; C499-K506 PolarHBondContact N-O 2.69Å; C499-F508 HydrophobicContact CB-CE2 4.39Å; C499-L514 HydrophobicContact CB-CD1 4.18Å; C499-H517 PolarHBondContact SG-NE2 3.3Å; C499-H517 VanDerWaalsContact SG-NE2 3.42Å; C499-H521 VanDerWaalsContact SG-CD2 3.58Å; C499-H521 PolarHBondContact SG-NE2 3.13Å
500	P	84.5	Confident	78.8	Confident	100 Å²	100	84.2 Å²	84.2	65%	0.649	46%	0.46	S	S	*	.			trans	-74.7	-6.7	176.5	31.5	-36.8	0	0	0	113.7	M518	P500-M518 HydrophobicContact CG-CE 3.99Å; P500-M518 HydrophobicContact CG-SD 4.07Å
501	H	85.2	Confident	79	Confident	82 Å²	82	85 Å²	85	38%	0.38	47%	0.469	S	S	.	.	S	Bend	trans	-69.4	130	-179.8	-166.8	-77.9	0	0	0	111.1	C499 C504 H521	C499-H501 PolarHBondContact O-N 2.79Å; C499-H501 VanDerWaalsContact SG-CB 3.52Å; C499-H501 PolarHBondContact SG-N 3.32Å; C499-H501 VanDerWaalsContact SG-N 3.43Å; H501-C504 HydrophobicContact CB-CB 4.04Å; H501-C504 WeakPolarHBondContact O-CB 3.32Å; H501-C504 PolarHBondContact O-N 3.22Å; H501-H521 AromaticContact CD2-CG 3.6Å; H501-H521 AromaticContact CG-CD2 3.85Å; H501-H521 AromaticContact CG-CG 3.75Å; H501-H521 AromaticContact CG-ND1 3.96Å
502	P	83.8	Confident	79.1	Confident	108 Å²	108	86.8 Å²	86.8	70%	0.701	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	142.4	174.4	-28.3	35.8	0	0	0	112.5	C504	P502-C504 PolarHBondContact O-N 3.29Å
503	G	83.6	Confident	79.8	Confident	93 Å²	93	83 Å²	83	96%	0.959	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-11.8	-179.5	0	0	0	0	0	116.5
504	C	88.7	Confident	80.8	Confident	29 Å²	29	76.8 Å²	76.8	20%	0.196	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-47.6	-172.1	-173.8	0	0	0	0	113.7	C499 H501 P502 K506 H517 H521	C499-C504 HydrophobicContact CB-CB 4.34Å; H501-C504 HydrophobicContact CB-CB 4.04Å; H501-C504 WeakPolarHBondContact O-CB 3.32Å; H501-C504 PolarHBondContact O-N 3.22Å; P502-C504 PolarHBondContact O-N 3.29Å; C504-K506 PolarHBondContact O-N 3.49Å; C504-H517 VanDerWaalsContact SG-CE1 3.57Å; C504-H517 PolarHBondContact SG-NE2 3.33Å; C504-H521 PolarHBondContact SG-CE1 3.26Å; C504-H521 PolarHBondContact SG-NE2 3.27Å
505	G	82.9	Confident	82.1	Confident	44 Å²	44	79.6 Å²	79.6	45%	0.454	43%	0.434	S	S	.	.			trans	63.3	-11.3	175.2	0	0	0	0	0	117.9	K507	G505-K507 WeakPolarHBondContact O-CG 3.14Å
506	K	84.8	Confident	83.2	Confident	92 Å²	92	74.5 Å²	74.5	40%	0.4	42%	0.415	S	S	.	.			trans	-61.3	138.6	-174.3	-68.9	-174.4	175.8	-177.6	0	111.9	E267 C499 C504 F508	E267-K506 IonicContact OE1-NZ 2.67Å; E267-K506 PolarHBondContact OE1-NZ 3.45Å; C499-K506 PolarHBondContact N-O 2.69Å; C504-K506 PolarHBondContact O-N 3.49Å; K506-F508 HydrophobicContact CB-CE2 3.81Å; K506-F508 HydrophobicContact CB-CZ 3.82Å; K506-F508 WeakPolarHBondContact O-CE2 3.36Å
507	K	84.7	Confident	83.8	Confident	140 Å²	140	73.1 Å²	73.1	61%	0.609	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.5	-168.7	-57.8	-174	-177.6	171.1	0	111.3	T496 V498 G505	T496-K507 HydrophobicContact CG2-CB 4.07Å; V498-K507 HydrophobicContact CG1-CG 4.36Å; V498-K507 HydrophobicContact CG2-CG 4.26Å; G505-K507 WeakPolarHBondContact O-CG 3.14Å
508	F	83.1	Confident	84	Confident	37 Å²	37	69.5 Å²	69.5	16%	0.162	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.9	-172.1	-57.6	-84.1	0	0	0	112.2	T496 K497 C499 K506 L510 H513 L514 H517	T496-F508 CarbonylContact C-O 3.58Å; T496-F508 WeakPolarHBondContact CA-O 3.15Å; K497-F508 PolarHBondContact N-O 3.04Å; K497-F508 PolarHBondContact O-N 3Å; C499-F508 HydrophobicContact CB-CE2 4.39Å; K506-F508 HydrophobicContact CB-CE2 3.81Å; K506-F508 HydrophobicContact CB-CZ 3.82Å; K506-F508 WeakPolarHBondContact O-CE2 3.36Å; F508-L510 VanDerWaalsContact C-N 3.3Å; F508-L510 PolarHBondContact O-N 3.32Å; F508-H513 HydrophobicContact CB-CB 4.33Å; F508-H513 HydrophobicContact CD1-CB 3.95Å; F508-H513 HydrophobicContact CG-CB 4.48Å; F508-L514 HydrophobicContact CB-CB 4.03Å; F508-L514 HydrophobicContact CD2-CB 3.97Å; F508-L514 HydrophobicContact CD2-CD1 3.88Å; F508-L514 HydrophobicContact CE2-CD1 4.17Å; F508-L514 HydrophobicContact CG-CB 4.12Å; F508-H517 HydrophobicContact CE1-CB 3.95Å; F508-H517 HydrophobicContact CE2-CB 4Å; F508-H517 AromaticContact CE2-CD2 3.28Å; F508-H517 WeakPolarHBondContact CE2-CD2 3.08Å; F508-H517 AromaticContact CE2-CG 3.68Å; F508-H517 AromaticContact CE2-NE2 3.92Å; F508-H517 HydrophobicContact CZ-CB 3.51Å; F508-H517 AromaticContact CZ-CD2 3.38Å; F508-H517 WeakPolarHBondContact CZ-CD2 3.4Å; F508-H517 AromaticContact CZ-CG 3.28Å; F508-H517 AromaticContact CZ-ND1 3.83Å; F508-H517 AromaticContact CZ-NE2 3.95Å
509	Y	79	Confident	84	Confident	94 Å²	94	67.7 Å²	67.7	37%	0.369	38%	0.379	S	S	.	.	S	Bend	trans	-73.1	-18.9	178.1	-62.4	-81.8	0	0	0	114	L489 T496	L489-Y509 HydrophobicContact CD2-CD2 4.24Å; L489-Y509 HydrophobicContact CD2-CG 4.22Å; T496-Y509 HydrophobicContact CG2-CD1 3.54Å; T496-Y509 HydrophobicContact CG2-CD2 4.21Å; T496-Y509 HydrophobicContact CG2-CE1 3.27Å; T496-Y509 HydrophobicContact CG2-CE2 4Å; T496-Y509 HydrophobicContact CG2-CG 3.99Å
510	L	79.4	Confident	83.8	Confident	16 Å²	16	71.4 Å²	71.4	8%	0.084	40%	0.397	C	S	.	.	S	Bend	trans	-124.8	137.1	-179.6	-56	179	0	0	0	111.7	N485 L489 F508 N512 H513 L514	N485-L510 HydrophobicContact CB-CD1 4.49Å; N485-L510 HydrophobicContact CB-CD2 4.06Å; L489-L510 HydrophobicContact CD1-CD1 4.06Å; L489-L510 HydrophobicContact CD1-CG 4.48Å; L489-L510 HydrophobicContact CD2-CG 4.4Å; L489-L510 HydrophobicContact CG-CD1 4.49Å; L489-L510 HydrophobicContact CG-CG 4.38Å; F508-L510 VanDerWaalsContact C-N 3.3Å; F508-L510 PolarHBondContact O-N 3.32Å; L510-N512 VanDerWaalsContact C-N 3.31Å; L510-N512 WeakPolarHBondContact CB-OD1 3.47Å; L510-N512 PolarHBondContact O-N 3.04Å; L510-H513 HydrophobicContact CB-CB 4.45Å; L510-H513 WeakPolarHBondContact O-CB 3.27Å; L510-H513 PolarHBondContact O-N 2.83Å; L510-L514 PolarHBondContact O-N 3.32Å
511	S	79.4	Confident	83.7	Confident	92 Å²	92	69.4 Å²	69.4	64%	0.643	38%	0.379	S	S	*	.	H	α-helix	trans	-59.6	-37.3	-179.6	-177.5	0	0	0	0	113.1	H513 L514 H515	S511-H513 VanDerWaalsContact C-N 3.26Å; S511-H513 PolarHBondContact O-N 2.99Å; S511-L514 PolarHBondContact O-N 2.69Å; S511-H515 WeakPolarHBondContact O-CB 3.47Å; S511-H515 PolarHBondContact O-N 3Å
512	N	81.7	Confident	83.4	Confident	92 Å²	92	68.9 Å²	68.9	49%	0.492	39%	0.385	S	S	.	.	H	α-helix	trans	-67.7	-23.3	175.9	69.9	-44.2	0	0	0	113.3	L510 R516	L510-N512 VanDerWaalsContact C-N 3.31Å; L510-N512 WeakPolarHBondContact CB-OD1 3.47Å; L510-N512 PolarHBondContact O-N 3.04Å; N512-R516 VanDerWaalsContact O-CB 3.27Å; N512-R516 WeakPolarHBondContact O-CB 3.03Å; N512-R516 PolarHBondContact O-N 3.33Å; N512-R516 VanDerWaalsContact O-N 3.08Å
513	H	84.4	Confident	83.1	Confident	41 Å²	41	65.6 Å²	65.6	19%	0.19	37%	0.37	C	S	.	.	H	α-helix	trans	-79.8	-41.5	175.3	-73.1	-159.3	0	0	0	110.6	F508 L510 S511 R516 H517	F508-H513 HydrophobicContact CB-CB 4.33Å; F508-H513 HydrophobicContact CD1-CB 3.95Å; F508-H513 HydrophobicContact CG-CB 4.48Å; L510-H513 HydrophobicContact CB-CB 4.45Å; L510-H513 WeakPolarHBondContact O-CB 3.27Å; L510-H513 PolarHBondContact O-N 2.83Å; S511-H513 VanDerWaalsContact C-N 3.26Å; S511-H513 PolarHBondContact O-N 2.99Å; H513-R516 PolarHBondContact CD2-NH1 2.92Å; H513-R516 PolarHBondContact NE2-NH1 2.91Å; H513-R516 VanDerWaalsContact NE2-NH1 3.12Å; H513-R516 PolarHBondContact O-N 3.42Å; H513-H517 WeakPolarHBondContact O-CB 3.33Å; H513-H517 PolarHBondContact O-N 3.02Å
514	L	85.9	Confident	82.8	Confident	29 Å²	29	64.1 Å²	64.1	15%	0.152	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-49.6	169.4	172.2	56.6	0	0	0	111.3	K497 C499 F508 L510 S511 R516 H517 M518	K497-L514 HydrophobicContact CB-CD2 3.7Å; C499-L514 HydrophobicContact CB-CD1 4.18Å; F508-L514 HydrophobicContact CB-CB 4.03Å; F508-L514 HydrophobicContact CD2-CB 3.97Å; F508-L514 HydrophobicContact CD2-CD1 3.88Å; F508-L514 HydrophobicContact CE2-CD1 4.17Å; F508-L514 HydrophobicContact CG-CB 4.12Å; L510-L514 PolarHBondContact O-N 3.32Å; S511-L514 PolarHBondContact O-N 2.69Å; L514-R516 VanDerWaalsContact C-N 3.35Å; L514-R516 PolarHBondContact O-N 2.7Å; L514-H517 CarbonylContact O-C 3.4Å; L514-H517 WeakPolarHBondContact O-CA 3.43Å; L514-H517 WeakPolarHBondContact O-CB 3.12Å; L514-H517 PolarHBondContact O-N 3.06Å; L514-M518 HydrophobicContact CD1-CG 4.09Å; L514-M518 HydrophobicContact CD1-SD 4.04Å; L514-M518 HydrophobicContact CG-CG 4.48Å; L514-M518 WeakPolarHBondContact O-CG 3.44Å; L514-M518 PolarHBondContact O-N 2.69Å
515	H	84.4	Confident	82.5	Confident	133 Å²	133	69.1 Å²	69.1	62%	0.616	36%	0.357	S	S	*	.	H	α-helix	trans	-61.2	-41.2	179.3	-179.3	75.8	0	0	0	112.2	S511 H517 M518	S511-H515 WeakPolarHBondContact O-CB 3.47Å; S511-H515 PolarHBondContact O-N 3Å; H515-H517 VanDerWaalsContact C-N 3.26Å; H515-H517 PolarHBondContact O-N 3.45Å; H515-M518 PolarHBondContact O-N 3.42Å
516	R	83.8	Confident	82.4	Confident	83 Å²	83	72 Å²	72	31%	0.313	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-37.7	171.5	-178.8	176.9	78.1	-136.8	8	112.4	N512 H513 L514	N512-R516 VanDerWaalsContact O-CB 3.27Å; N512-R516 WeakPolarHBondContact O-CB 3.03Å; N512-R516 PolarHBondContact O-N 3.33Å; N512-R516 VanDerWaalsContact O-N 3.08Å; H513-R516 PolarHBondContact CD2-NH1 2.92Å; H513-R516 PolarHBondContact NE2-NH1 2.91Å; H513-R516 VanDerWaalsContact NE2-NH1 3.12Å; H513-R516 PolarHBondContact O-N 3.42Å; L514-R516 VanDerWaalsContact C-N 3.35Å; L514-R516 PolarHBondContact O-N 2.7Å
517	H	87.3	Confident	82.6	Confident	16 Å²	16	70.8 Å²	70.8	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-73.5	-34.8	178.1	169.2	67.4	0	0	0	112.9	C499 C504 F508 H513 L514 H515 I519 I520 H521	C499-H517 PolarHBondContact SG-NE2 3.3Å; C499-H517 VanDerWaalsContact SG-NE2 3.42Å; C504-H517 VanDerWaalsContact SG-CE1 3.57Å; C504-H517 PolarHBondContact SG-NE2 3.33Å; F508-H517 HydrophobicContact CE1-CB 3.95Å; F508-H517 HydrophobicContact CE2-CB 4Å; F508-H517 AromaticContact CE2-CD2 3.28Å; F508-H517 WeakPolarHBondContact CE2-CD2 3.08Å; F508-H517 AromaticContact CE2-CG 3.68Å; F508-H517 AromaticContact CE2-NE2 3.92Å; F508-H517 HydrophobicContact CZ-CB 3.51Å; F508-H517 AromaticContact CZ-CD2 3.38Å; F508-H517 WeakPolarHBondContact CZ-CD2 3.4Å; F508-H517 AromaticContact CZ-CG 3.28Å; F508-H517 AromaticContact CZ-ND1 3.83Å; F508-H517 AromaticContact CZ-NE2 3.95Å; H513-H517 WeakPolarHBondContact O-CB 3.33Å; H513-H517 PolarHBondContact O-N 3.02Å; L514-H517 CarbonylContact O-C 3.4Å; L514-H517 WeakPolarHBondContact O-CA 3.43Å; L514-H517 WeakPolarHBondContact O-CB 3.12Å; L514-H517 PolarHBondContact O-N 3.06Å; H515-H517 VanDerWaalsContact C-N 3.26Å; H515-H517 PolarHBondContact O-N 3.45Å; H517-I519 PolarHBondContact O-N 3.2Å; H517-I520 WeakPolarHBondContact O-CB 3.49Å; H517-I520 WeakPolarHBondContact O-CG1 3.41Å; H517-I520 PolarHBondContact O-N 3.29Å; H517-H521 AromaticContact CD2-NE2 3.87Å; H517-H521 AromaticContact CE1-CE1 3.83Å; H517-H521 AromaticContact CE1-NE2 3.34Å; H517-H521 PolarHBondContact CE1-NE2 2.76Å; H517-H521 VanDerWaalsContact CE1-NE2 3.34Å; H517-H521 AromaticContact NE2-CD2 3.86Å; H517-H521 AromaticContact NE2-CE1 3.9Å; H517-H521 AromaticContact NE2-NE2 3.02Å; H517-H521 PolarHBondContact NE2-NE2 3.37Å
518	M	84.3	Confident	82.8	Confident	57 Å²	57	69 Å²	69	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-29	176.4	-67.7	-53.6	-63.2	0	0	113.4	P500 L514 H515 I520 H521 S522	P500-M518 HydrophobicContact CG-CE 3.99Å; P500-M518 HydrophobicContact CG-SD 4.07Å; L514-M518 HydrophobicContact CD1-CG 4.09Å; L514-M518 HydrophobicContact CD1-SD 4.04Å; L514-M518 HydrophobicContact CG-CG 4.48Å; L514-M518 WeakPolarHBondContact O-CG 3.44Å; L514-M518 PolarHBondContact O-N 2.69Å; H515-M518 PolarHBondContact O-N 3.42Å; M518-I520 PolarHBondContact O-N 3.2Å; M518-H521 PolarHBondContact O-N 3.21Å; M518-H521 VanDerWaalsContact O-N 3.14Å; M518-S522 PolarHBondContact O-N 3.49Å
519	I	84.6	Confident	83.3	Confident	37 Å²	37	67.5 Å²	67.5	19%	0.19	35%	0.347	C	S	.	.	H	α-helix	trans	-64.3	-21.7	173.8	-53	168.1	0	0	0	111.5	H517 V524 K537	H517-I519 PolarHBondContact O-N 3.2Å; I519-V524 WeakPolarHBondContact CG2-O 3.39Å; I519-K537 HydrophobicContact CG2-CB 4Å; I519-K537 HydrophobicContact CG2-CD 4.48Å; I519-K537 HydrophobicContact CG2-CG 4.44Å; I519-K537 WeakPolarHBondContact O-CD 3.37Å; I519-K537 PolarHBondContact O-NZ 3.17Å
520	I	84.1	Confident	83.8	Confident	84 Å²	84	72.5 Å²	72.5	43%	0.431	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-51.1	172.4	-55.1	-179.2	0	0	0	109	H517 M518 G523 K537	H517-I520 WeakPolarHBondContact O-CB 3.49Å; H517-I520 WeakPolarHBondContact O-CG1 3.41Å; H517-I520 PolarHBondContact O-N 3.29Å; M518-I520 PolarHBondContact O-N 3.2Å; I520-G523 PolarHBondContact O-N 2.93Å; I520-K537 PolarHBondContact O-NZ 3.3Å
521	H	83	Confident	84.2	Confident	58 Å²	58	76.4 Å²	76.4	27%	0.269	40%	0.399	S	S	.	.	H	α-helix	trans	-68.8	-41.4	-177.8	-60.3	-46.3	0	0	0	113.9	C499 H501 C504 H517 M518 G523	C499-H521 VanDerWaalsContact SG-CD2 3.58Å; C499-H521 PolarHBondContact SG-NE2 3.13Å; H501-H521 AromaticContact CD2-CG 3.6Å; H501-H521 AromaticContact CG-CD2 3.85Å; H501-H521 AromaticContact CG-CG 3.75Å; H501-H521 AromaticContact CG-ND1 3.96Å; C504-H521 PolarHBondContact SG-CE1 3.26Å; C504-H521 PolarHBondContact SG-NE2 3.27Å; H517-H521 AromaticContact CD2-NE2 3.87Å; H517-H521 AromaticContact CE1-CE1 3.83Å; H517-H521 AromaticContact CE1-NE2 3.34Å; H517-H521 PolarHBondContact CE1-NE2 2.76Å; H517-H521 VanDerWaalsContact CE1-NE2 3.34Å; H517-H521 AromaticContact NE2-CD2 3.86Å; H517-H521 AromaticContact NE2-CE1 3.9Å; H517-H521 AromaticContact NE2-NE2 3.02Å; H517-H521 PolarHBondContact NE2-NE2 3.37Å; M518-H521 PolarHBondContact O-N 3.21Å; M518-H521 VanDerWaalsContact O-N 3.14Å; H521-G523 PolarHBondContact O-N 2.87Å; H521-G523 VanDerWaalsContact O-N 3.11Å
522	S	78	Confident	84.8	Confident	72 Å²	72	74.7 Å²	74.7	50%	0.503	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.3	-179.8	67.3	0	0	0	0	113.8	M518 V524	M518-S522 PolarHBondContact O-N 3.49Å; S522-V524 WeakPolarHBondContact O-CG2 3.18Å; S522-V524 PolarHBondContact O-N 3.1Å
523	G	77.1	Confident	85.1	Confident	38 Å²	38	72.7 Å²	72.7	39%	0.392	39%	0.388	S	S	.	.			trans	72.3	-21.9	-177.1	0	0	0	0	0	114.9	I520 H521 K537	I520-G523 PolarHBondContact O-N 2.93Å; H521-G523 PolarHBondContact O-N 2.87Å; H521-G523 VanDerWaalsContact O-N 3.11Å; G523-K537 WeakPolarHBondContact O-CE 3.45Å
524	V	79.3	Confident	85.4	Confident	63 Å²	63	75.6 Å²	75.6	38%	0.382	40%	0.4	S	S	.	.			trans	-53.6	133.5	-170.2	-179.3	0	0	0	0	113	I519 S522 D526 K537	I519-V524 WeakPolarHBondContact CG2-O 3.39Å; S522-V524 WeakPolarHBondContact O-CG2 3.18Å; S522-V524 PolarHBondContact O-N 3.1Å; V524-D526 WeakPolarHBondContact CG1-OD1 3.46Å; V524-K537 WeakPolarHBondContact O-CG 3.14Å
525	R	81.4	Confident	85.5	Confident	133 Å²	133	76.5 Å²	76.5	50%	0.502	41%	0.408	S	S	.	.			trans	-127.9	62.8	-176.8	-76.3	168.5	159.3	141	-14.4	110.6	F527 S535 F536 K537	R525-F527 PolarHBondContact O-N 3.33Å; R525-S535 WeakPolarHBondContact CD-O 3.23Å; R525-S535 WeakPolarHBondContact CD-OG 3.4Å; R525-S535 PolarHBondContact NE-O 3.47Å; R525-F536 CarbonylContact C-O 3.34Å; R525-F536 WeakPolarHBondContact CA-O 3.02Å; R525-K537 HydrophobicContact CG-CG 3.74Å
526	D	81.8	Confident	85.7	Confident	105 Å²	105	72.2 Å²	72.2	56%	0.561	39%	0.388	S	S	*	.			trans	-56.6	-18.8	-173.8	-54.1	-60.5	0	0	0	115.4	V524	V524-D526 WeakPolarHBondContact CG1-OD1 3.46Å
527	F	87.4	Confident	85.8	Confident	66 Å²	66	71 Å²	71	29%	0.289	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	85.9	-170.3	-55.7	-74.7	0	0	0	110.3	R525 F536 K539 L542	R525-F527 PolarHBondContact O-N 3.33Å; F527-F536 HydrophobicContact CB-CB 4.28Å; F527-F536 WeakPolarHBondContact CB-O 3.23Å; F527-F536 WeakPolarHBondContact CD2-O 3.48Å; F527-F536 PolarHBondContact N-O 2.97Å; F527-F536 WeakPolarHBondContact O-CD2 3.38Å; F527-F536 PolarHBondContact O-N 3.33Å; F527-K539 HydrophobicContact CD1-CB 3.68Å; F527-K539 HydrophobicContact CD1-CG 4.27Å; F527-K539 VanDerWaalsContact CD2-N 3.29Å; F527-K539 HydrophobicContact CE1-CB 3.67Å; F527-K539 HydrophobicContact CE1-CD 4.49Å; F527-K539 HydrophobicContact CE1-CG 4.45Å; F527-K539 HydrophobicContact CG-CB 4.18Å; F527-K539 HydrophobicContact CZ-CB 4.14Å; F527-L542 HydrophobicContact CB-CB 3.95Å; F527-L542 HydrophobicContact CB-CD2 3.83Å
528	I	89.8	Confident	85.6	Confident	104 Å²	104	73.4 Å²	73.4	53%	0.533	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.2	-179.7	-53	179.9	0	0	0	110.8	L542	I528-L542 WeakPolarHBondContact O-CD2 3.2Å
529	C	93.1	Very high	85.8	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.027	41%	0.407	C	S	.	.			trans	-89.3	112.5	170.9	-170.8	0	0	0	0	111.3	T531 C532 G533 K534 F536 L542 H549	C529-T531 PolarHBondContact O-N 3.35Å; C529-T531 VanDerWaalsContact O-N 3.16Å; C529-C532 PolarHBondContact O-N 3.34Å; C529-G533 WeakPolarHBondContact O-CA 3.4Å; C529-G533 PolarHBondContact O-N 2.67Å; C529-K534 WeakPolarHBondContact CB-O 3.14Å; C529-K534 PolarHBondContact N-O 2.84Å; C529-F536 HydrophobicContact CB-CE2 4.37Å; C529-L542 HydrophobicContact CB-CD1 3.58Å; C529-H549 PolarHBondContact SG-NE2 3.16Å
530	E	89.4	Confident	85.9	Confident	200 Å²	200	81.1 Å²	81.1	94%	0.935	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.7	177.8	-66.9	156.6	-161.4	0	0	113.1
531	T	89	Confident	86.1	Confident	97 Å²	97	81.2 Å²	81.2	60%	0.595	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-22.8	-176.7	-41	0	0	0	0	114.3	C529 H549	C529-T531 PolarHBondContact O-N 3.35Å; C529-T531 VanDerWaalsContact O-N 3.16Å; T531-H549 HydrophobicContact CG2-CB 4.13Å
532	C	91.2	Very high	86.5	Confident	56 Å²	56	80 Å²	80	38%	0.378	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	8.8	-171.9	69.2	0	0	0	0	115.5	C529 K534 H545 H549	C529-C532 PolarHBondContact O-N 3.34Å; C532-K534 PolarHBondContact O-N 3.37Å; C532-H545 PolarHBondContact SG-NE2 3.41Å; C532-H549 PolarHBondContact SG-NE2 3.07Å; C532-H549 VanDerWaalsContact SG-NE2 3.39Å
533	G	87.8	Confident	87	Confident	51 Å²	51	79.4 Å²	79.4	53%	0.526	41%	0.413	S	S	.	.			trans	70.2	-14.6	-179.6	0	0	0	0	0	116.3	C529 S535	C529-G533 WeakPolarHBondContact O-CA 3.4Å; C529-G533 PolarHBondContact O-N 2.67Å; G533-S535 PolarHBondContact O-N 2.7Å
534	K	90.3	Very high	87.5	Confident	102 Å²	102	79.1 Å²	79.1	44%	0.443	40%	0.403	S	S	.	.			trans	-60.3	131.5	-177.2	-67.7	-153.7	174.3	-150.7	0	111.7	E261 C529 C532 F536	E261-K534 IonicContact OE1-NZ 3.26Å; E261-K534 PolarHBondContact OE1-NZ 3.48Å; C529-K534 WeakPolarHBondContact CB-O 3.14Å; C529-K534 PolarHBondContact N-O 2.84Å; C532-K534 PolarHBondContact O-N 3.37Å; K534-F536 HydrophobicContact CB-CE2 3.94Å; K534-F536 HydrophobicContact CB-CZ 4.08Å; K534-F536 WeakPolarHBondContact O-CD2 3.22Å; K534-F536 VanDerWaalsContact O-CE2 3.29Å; K534-F536 WeakPolarHBondContact O-CE2 3.3Å
535	S	88.6	Confident	88	Confident	47 Å²	47	77.5 Å²	77.5	33%	0.329	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.9	-171.3	60.9	0	0	0	0	112.9	R525 G533	R525-S535 WeakPolarHBondContact CD-O 3.23Å; R525-S535 WeakPolarHBondContact CD-OG 3.4Å; R525-S535 PolarHBondContact NE-O 3.47Å; G533-S535 PolarHBondContact O-N 2.7Å
536	F	88.7	Confident	88.4	Confident	44 Å²	44	76.9 Å²	76.9	19%	0.193	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.1	-167.3	-62.3	-88.1	0	0	0	112.5	R525 F527 C529 K534 R538 H541 L542 H545	R525-F536 CarbonylContact C-O 3.34Å; R525-F536 WeakPolarHBondContact CA-O 3.02Å; F527-F536 HydrophobicContact CB-CB 4.28Å; F527-F536 WeakPolarHBondContact CB-O 3.23Å; F527-F536 WeakPolarHBondContact CD2-O 3.48Å; F527-F536 PolarHBondContact N-O 2.97Å; F527-F536 WeakPolarHBondContact O-CD2 3.38Å; F527-F536 PolarHBondContact O-N 3.33Å; C529-F536 HydrophobicContact CB-CE2 4.37Å; K534-F536 HydrophobicContact CB-CE2 3.94Å; K534-F536 HydrophobicContact CB-CZ 4.08Å; K534-F536 WeakPolarHBondContact O-CD2 3.22Å; K534-F536 VanDerWaalsContact O-CE2 3.29Å; K534-F536 WeakPolarHBondContact O-CE2 3.3Å; F536-R538 PolarHBondContact O-N 3.19Å; F536-H541 HydrophobicContact CB-CB 4.28Å; F536-H541 HydrophobicContact CD1-CB 4.01Å; F536-H541 HydrophobicContact CG-CB 4.41Å; F536-L542 HydrophobicContact CB-CB 4.36Å; F536-L542 HydrophobicContact CD2-CB 4.05Å; F536-L542 HydrophobicContact CD2-CD1 4Å; F536-L542 HydrophobicContact CE2-CD1 4.25Å; F536-L542 HydrophobicContact CG-CB 4.38Å; F536-H545 HydrophobicContact CE1-CB 4.05Å; F536-H545 HydrophobicContact CE2-CB 3.95Å; F536-H545 AromaticContact CE2-CD2 3.33Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.21Å; F536-H545 AromaticContact CE2-CG 3.7Å; F536-H545 HydrophobicContact CZ-CB 3.54Å; F536-H545 AromaticContact CZ-CD2 3.4Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.37Å; F536-H545 AromaticContact CZ-CG 3.31Å; F536-H545 AromaticContact CZ-ND1 3.96Å
537	K	85.3	Confident	88.7	Confident	58 Å²	58	74.7 Å²	74.7	25%	0.252	37%	0.373	S	S	.	.	S	Bend	trans	-75.4	-3.7	176.3	-59.2	-163.5	169.3	-173.4	0	114.4	I519 I520 G523 V524 R525	I519-K537 HydrophobicContact CG2-CB 4Å; I519-K537 HydrophobicContact CG2-CD 4.48Å; I519-K537 HydrophobicContact CG2-CG 4.44Å; I519-K537 WeakPolarHBondContact O-CD 3.37Å; I519-K537 PolarHBondContact O-NZ 3.17Å; I520-K537 PolarHBondContact O-NZ 3.3Å; G523-K537 WeakPolarHBondContact O-CE 3.45Å; V524-K537 WeakPolarHBondContact O-CG 3.14Å; R525-K537 HydrophobicContact CG-CG 3.74Å
538	R	84.1	Confident	88.7	Confident	66 Å²	66	74.8 Å²	74.8	25%	0.249	38%	0.379	C	S	.	.	S	Bend	trans	-149.9	136	-178.5	-51.3	179.9	-149.8	172.1	7.8	111.5	D268 F536 N540 H541 L542	D268-R538 IonicContact OD1-CZ 3.88Å; D268-R538 IonicContact OD1-NH1 3.26Å; D268-R538 PolarHBondContact OD1-NH1 2.76Å; D268-R538 IonicContact OD1-NH2 2.7Å; D268-R538 PolarHBondContact OD1-NH2 2.66Å; D268-R538 IonicContact OD2-CZ 3.54Å; D268-R538 IonicContact OD2-NH1 2.73Å; D268-R538 PolarHBondContact OD2-NH1 2.83Å; D268-R538 IonicContact OD2-NH2 2.63Å; D268-R538 PolarHBondContact OD2-NH2 3.4Å; F536-R538 PolarHBondContact O-N 3.19Å; R538-N540 VanDerWaalsContact C-N 3.27Å; R538-N540 PolarHBondContact O-N 2.92Å; R538-H541 HydrophobicContact CB-CB 4.37Å; R538-H541 PolarHBondContact NH1-NE2 3.46Å; R538-H541 WeakPolarHBondContact O-CB 3.44Å; R538-H541 PolarHBondContact O-N 2.74Å; R538-L542 PolarHBondContact O-N 3.48Å
539	K	87.4	Confident	88.6	Confident	130 Å²	130	73.5 Å²	73.5	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-54.9	-38.2	173	-174.7	160	-179	157.7	0	113.6	F527 H541 L542 E543	F527-K539 HydrophobicContact CD1-CB 3.68Å; F527-K539 HydrophobicContact CD1-CG 4.27Å; F527-K539 VanDerWaalsContact CD2-N 3.29Å; F527-K539 HydrophobicContact CE1-CB 3.67Å; F527-K539 HydrophobicContact CE1-CD 4.49Å; F527-K539 HydrophobicContact CE1-CG 4.45Å; F527-K539 HydrophobicContact CG-CB 4.18Å; F527-K539 HydrophobicContact CZ-CB 4.14Å; K539-H541 PolarHBondContact O-N 3Å; K539-L542 PolarHBondContact O-N 3.11Å; K539-E543 WeakPolarHBondContact O-CB 3.43Å; K539-E543 PolarHBondContact O-N 2.85Å
540	N	86.8	Confident	88.1	Confident	125 Å²	125	77 Å²	77	67%	0.668	39%	0.392	S	S	*	.	H	α-helix	trans	-64.7	-29.1	178.3	-68.1	20	0	0	0	112.7	R538 V544	R538-N540 VanDerWaalsContact C-N 3.27Å; R538-N540 PolarHBondContact O-N 2.92Å; N540-V544 WeakPolarHBondContact O-CB 3.31Å; N540-V544 WeakPolarHBondContact O-CG2 3.45Å; N540-V544 PolarHBondContact O-N 3.04Å; N540-V544 VanDerWaalsContact O-N 3.12Å
541	H	88.6	Confident	87.8	Confident	86 Å²	86	69.1 Å²	69.1	40%	0.398	37%	0.365	S	S	.	.	H	α-helix	trans	-76.4	-40.9	175.7	-66.3	-20.9	0	0	0	111.1	F536 R538 K539 E543 V544 H545	F536-H541 HydrophobicContact CB-CB 4.28Å; F536-H541 HydrophobicContact CD1-CB 4.01Å; F536-H541 HydrophobicContact CG-CB 4.41Å; R538-H541 HydrophobicContact CB-CB 4.37Å; R538-H541 PolarHBondContact NH1-NE2 3.46Å; R538-H541 WeakPolarHBondContact O-CB 3.44Å; R538-H541 PolarHBondContact O-N 2.74Å; K539-H541 PolarHBondContact O-N 3Å; H541-E543 VanDerWaalsContact C-N 3.34Å; H541-E543 PolarHBondContact O-N 2.84Å; H541-V544 PolarHBondContact O-N 2.77Å; H541-H545 VanDerWaalsContact O-CB 3.31Å; H541-H545 WeakPolarHBondContact O-CB 3.26Å; H541-H545 PolarHBondContact O-N 2.98Å
542	L	91.3	Very high	87.5	Confident	32 Å²	32	68.8 Å²	68.8	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-58.3	-44.4	170.1	172.2	61.7	0	0	0	111.9	F527 I528 C529 F536 R538 K539 H545 R546	F527-L542 HydrophobicContact CB-CB 3.95Å; F527-L542 HydrophobicContact CB-CD2 3.83Å; I528-L542 WeakPolarHBondContact O-CD2 3.2Å; C529-L542 HydrophobicContact CB-CD1 3.58Å; F536-L542 HydrophobicContact CB-CB 4.36Å; F536-L542 HydrophobicContact CD2-CB 4.05Å; F536-L542 HydrophobicContact CD2-CD1 4Å; F536-L542 HydrophobicContact CE2-CD1 4.25Å; F536-L542 HydrophobicContact CG-CB 4.38Å; R538-L542 PolarHBondContact O-N 3.48Å; K539-L542 PolarHBondContact O-N 3.11Å; L542-H545 PolarHBondContact O-N 2.62Å; L542-R546 PolarHBondContact O-N 3.37Å
543	E	88.9	Confident	87.1	Confident	60 Å²	60	68.2 Å²	68.2	28%	0.28	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-43.6	178.3	-173.8	62.4	-130.8	0	0	112.1	K539 H541 H545 R546	K539-E543 WeakPolarHBondContact O-CB 3.43Å; K539-E543 PolarHBondContact O-N 2.85Å; H541-E543 VanDerWaalsContact C-N 3.34Å; H541-E543 PolarHBondContact O-N 2.84Å; E543-H545 VanDerWaalsContact C-N 3.33Å; E543-R546 PolarHBondContact O-N 3.13Å; E543-R546 IonicContact OE1-CZ 3.4Å; E543-R546 IonicContact OE1-NE 2.67Å; E543-R546 IonicContact OE1-NH2 2.55Å; E543-R546 PolarHBondContact OE1-NH2 3.23Å; E543-R546 IonicContact OE2-CZ 3.52Å; E543-R546 IonicContact OE2-NH2 2.66Å; E543-R546 PolarHBondContact OE2-NH2 2.99Å
544	V	88.2	Confident	86.8	Confident	32 Å²	32	69.4 Å²	69.4	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-37.9	174.1	159.5	0	0	0	0	111.8	N540 H541 Q566	N540-V544 WeakPolarHBondContact O-CB 3.31Å; N540-V544 WeakPolarHBondContact O-CG2 3.45Å; N540-V544 PolarHBondContact O-N 3.04Å; N540-V544 VanDerWaalsContact O-N 3.12Å; H541-V544 PolarHBondContact O-N 2.77Å; V544-Q566 HydrophobicContact CG1-CG 3.5Å; V544-Q566 HydrophobicContact CG2-CG 4.45Å
545	H	89.9	Confident	86.6	Confident	29 Å²	29	65.9 Å²	65.9	13%	0.134	34%	0.336	C	S	.	.	H	α-helix	trans	-68.6	-40	176	172.3	57	0	0	0	112.1	C532 F536 H541 L542 E543 R547 T548 H549	C532-H545 PolarHBondContact SG-NE2 3.41Å; F536-H545 HydrophobicContact CE1-CB 4.05Å; F536-H545 HydrophobicContact CE2-CB 3.95Å; F536-H545 AromaticContact CE2-CD2 3.33Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.21Å; F536-H545 AromaticContact CE2-CG 3.7Å; F536-H545 HydrophobicContact CZ-CB 3.54Å; F536-H545 AromaticContact CZ-CD2 3.4Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.37Å; F536-H545 AromaticContact CZ-CG 3.31Å; F536-H545 AromaticContact CZ-ND1 3.96Å; H541-H545 VanDerWaalsContact O-CB 3.31Å; H541-H545 WeakPolarHBondContact O-CB 3.26Å; H541-H545 PolarHBondContact O-N 2.98Å; L542-H545 PolarHBondContact O-N 2.62Å; E543-H545 VanDerWaalsContact C-N 3.33Å; H545-R547 PolarHBondContact O-N 3.45Å; H545-T548 PolarHBondContact ND1-OG1 2.99Å; H545-T548 WeakPolarHBondContact O-CB 3.18Å; H545-T548 PolarHBondContact O-N 2.93Å; H545-T548 PolarHBondContact O-OG1 2.99Å; H545-H549 AromaticContact CD2-NE2 3.92Å; H545-H549 AromaticContact CE1-CE1 3.8Å; H545-H549 AromaticContact CE1-NE2 3.47Å; H545-H549 PolarHBondContact CE1-NE2 3.16Å; H545-H549 AromaticContact NE2-CE1 3.79Å; H545-H549 AromaticContact NE2-NE2 3.08Å; H545-H549 PolarHBondContact NE2-NE2 3.15Å
546	R	88.7	Confident	86.7	Confident	120 Å²	120	68.6 Å²	68.6	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-55	-31.7	179	-172.3	170.8	64.4	148.7	3	112.8	L542 E543 T548 H549 T550	L542-R546 PolarHBondContact O-N 3.37Å; E543-R546 PolarHBondContact O-N 3.13Å; E543-R546 IonicContact OE1-CZ 3.4Å; E543-R546 IonicContact OE1-NE 2.67Å; E543-R546 IonicContact OE1-NH2 2.55Å; E543-R546 PolarHBondContact OE1-NH2 3.23Å; E543-R546 IonicContact OE2-CZ 3.52Å; E543-R546 IonicContact OE2-NH2 2.66Å; E543-R546 PolarHBondContact OE2-NH2 2.99Å; R546-T548 PolarHBondContact O-N 2.81Å; R546-H549 WeakPolarHBondContact O-CB 3.46Å; R546-H549 PolarHBondContact O-N 3.07Å; R546-T550 PolarHBondContact O-N 3.48Å
547	R	88.8	Confident	86.6	Confident	59 Å²	59	66.6 Å²	66.6	22%	0.223	33%	0.334	C	S	.	.	H	α-helix	trans	-66.4	-14.1	173.8	-62.7	-179.9	-177.7	162	0.5	115.1	H545 H549 G551 E552 R565	H545-R547 PolarHBondContact O-N 3.45Å; R547-H549 VanDerWaalsContact C-N 3.33Å; R547-G551 CarbonylContact O-C 3.29Å; R547-G551 VanDerWaalsContact O-C 3.29Å; R547-G551 WeakPolarHBondContact O-CA 3.04Å; R547-G551 PolarHBondContact O-N 3.18Å; R547-E552 HydrophobicContact CB-CB 4.14Å; R547-E552 HydrophobicContact CG-CB 4.02Å; R547-E552 PolarHBondContact O-N 2.65Å; R547-R565 HydrophobicContact CB-CB 4.4Å; R547-R565 HydrophobicContact CB-CG 4.43Å; R547-R565 PolarHBondContact NH1-O 2.88Å; R547-R565 VanDerWaalsContact NH1-O 3.11Å; R547-R565 WeakPolarHBondContact O-CD 3.34Å; R547-R565 PolarHBondContact O-NE 3.32Å
548	T	86.9	Confident	86.7	Confident	69 Å²	69	72.7 Å²	72.7	42%	0.423	36%	0.364	S	S	.	.	H	α-helix	trans	-72.5	-31.6	169.6	66.5	0	0	0	0	111.2	H545 R546	H545-T548 PolarHBondContact ND1-OG1 2.99Å; H545-T548 WeakPolarHBondContact O-CB 3.18Å; H545-T548 PolarHBondContact O-N 2.93Å; H545-T548 PolarHBondContact O-OG1 2.99Å; R546-T548 PolarHBondContact O-N 2.81Å
549	H	86.9	Confident	86.6	Confident	76 Å²	76	74.6 Å²	74.6	35%	0.352	38%	0.378	S	S	.	.	H	α-helix	trans	-81	-41.9	178.5	-54.6	-48.8	0	0	0	112.2	C529 T531 C532 H545 R546 R547 G551	C529-H549 PolarHBondContact SG-NE2 3.16Å; T531-H549 HydrophobicContact CG2-CB 4.13Å; C532-H549 PolarHBondContact SG-NE2 3.07Å; C532-H549 VanDerWaalsContact SG-NE2 3.39Å; H545-H549 AromaticContact CD2-NE2 3.92Å; H545-H549 AromaticContact CE1-CE1 3.8Å; H545-H549 AromaticContact CE1-NE2 3.47Å; H545-H549 PolarHBondContact CE1-NE2 3.16Å; H545-H549 AromaticContact NE2-CE1 3.79Å; H545-H549 AromaticContact NE2-NE2 3.08Å; H545-H549 PolarHBondContact NE2-NE2 3.15Å; R546-H549 WeakPolarHBondContact O-CB 3.46Å; R546-H549 PolarHBondContact O-N 3.07Å; R547-H549 VanDerWaalsContact C-N 3.33Å; H549-G551 VanDerWaalsContact C-N 3.25Å; H549-G551 PolarHBondContact O-N 3.17Å
550	T	83.8	Confident	86.6	Confident	78 Å²	78	71.8 Å²	71.8	48%	0.479	37%	0.374	S	S	.	.	S	Bend	trans	-81.7	-1.6	177.4	62.6	0	0	0	0	113.7	R546 E552	R546-T550 PolarHBondContact O-N 3.48Å; T550-E552 VanDerWaalsContact CB-OE1 3.27Å; T550-E552 WeakPolarHBondContact CB-OE1 3.38Å; T550-E552 PolarHBondContact O-N 3.48Å; T550-E552 VanDerWaalsContact OG1-CD 3.24Å; T550-E552 WeakPolarHBondContact OG1-CG 3.11Å; T550-E552 PolarHBondContact OG1-OE1 3.08Å
551	G	83.3	Confident	86.4	Confident	35 Å²	35	67.4 Å²	67.4	36%	0.361	36%	0.359	S	S	.	.			trans	74.9	-29.5	-175	0	0	0	0	0	114.8	R547 H549 T553 R565	R547-G551 CarbonylContact O-C 3.29Å; R547-G551 VanDerWaalsContact O-C 3.29Å; R547-G551 WeakPolarHBondContact O-CA 3.04Å; R547-G551 PolarHBondContact O-N 3.18Å; H549-G551 VanDerWaalsContact C-N 3.25Å; H549-G551 PolarHBondContact O-N 3.17Å; G551-T553 PolarHBondContact O-N 3.36Å; G551-R565 PolarHBondContact O-NE 3.04Å; G551-R565 PolarHBondContact O-NH2 2.95Å
552	E	83.1	Confident	86.3	Confident	90 Å²	90	68.7 Å²	68.7	42%	0.421	36%	0.36	S	S	.	.			trans	-33.6	114.6	-171.8	-78.2	171	-116.1	0	0	116.4	R547 T550 P554 R565	R547-E552 HydrophobicContact CB-CB 4.14Å; R547-E552 HydrophobicContact CG-CB 4.02Å; R547-E552 PolarHBondContact O-N 2.65Å; T550-E552 VanDerWaalsContact CB-OE1 3.27Å; T550-E552 WeakPolarHBondContact CB-OE1 3.38Å; T550-E552 PolarHBondContact O-N 3.48Å; T550-E552 VanDerWaalsContact OG1-CD 3.24Å; T550-E552 WeakPolarHBondContact OG1-CG 3.11Å; T550-E552 PolarHBondContact OG1-OE1 3.08Å; E552-P554 WeakPolarHBondContact O-CD 3.48Å; E552-R565 WeakPolarHBondContact O-CG 3.35Å
553	T	82.4	Confident	86.1	Confident	44 Å²	44	71.7 Å²	71.7	27%	0.27	37%	0.374	S	S	.	.			trans	-115.8	66.2	175.6	40.6	0	0	0	0	111.9	G551 L555 Q563 C564 R565	G551-T553 PolarHBondContact O-N 3.36Å; T553-L555 PolarHBondContact O-N 3.31Å; T553-Q563 HydrophobicContact CG2-CB 4.29Å; T553-Q563 PolarHBondContact OG1-OE1 3.19Å; T553-C564 CarbonylContact C-O 3.55Å; T553-C564 WeakPolarHBondContact CA-O 3.35Å; T553-R565 HydrophobicContact CG2-CG 3.98Å
554	P	81.9	Confident	86	Confident	75 Å²	75	69.2 Å²	69.2	49%	0.487	36%	0.363	S	S	.	.			trans	-73.7	20	-170.2	33.9	-39.9	0	0	0	114.6	E552	E552-P554 WeakPolarHBondContact O-CD 3.48Å
555	L	85.6	Confident	85.9	Confident	29 Å²	29	72 Å²	72	15%	0.152	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	106.1	-175.3	-70.4	172.1	0	0	0	109.3	T553 Q563 C564 R567 L570	T553-L555 PolarHBondContact O-N 3.31Å; L555-Q563 WeakPolarHBondContact O-CA 3.49Å; L555-C564 PolarHBondContact O-N 3.47Å; L555-R567 HydrophobicContact CD1-CB 4.03Å; L555-L570 HydrophobicContact CB-CD2 4.22Å; L555-L570 HydrophobicContact CD2-CD2 4.42Å
556	Q	89.2	Confident	85.7	Confident	103 Å²	103	74.6 Å²	74.6	48%	0.481	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	148.2	-178.7	-170.9	163.4	33.6	0	0	111.3	G561 Y562 Q563	Q556-G561 WeakPolarHBondContact CG-O 3.43Å; Q556-G561 PolarHBondContact NE2-O 3.4Å; Q556-Y562 CarbonylContact C-O 3.33Å; Q556-Y562 WeakPolarHBondContact CA-O 3.22Å; Q556-Q563 HydrophobicContact CB-CG 4.32Å; Q556-Q563 HydrophobicContact CG-CG 4Å
557	C	88.6	Confident	85.5	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.014	39%	0.393	C	S	.	.			trans	-79.9	121.7	167.9	175.3	0	0	0	0	109.9	I559 C560 G561 Y562 L570 H573 M574	C557-I559 PolarHBondContact O-N 3.29Å; C557-I559 PolarHBondContact SG-N 2.76Å; C557-I559 VanDerWaalsContact SG-N 3.41Å; C557-C560 VanDerWaalsContact SG-SG 3.63Å; C557-G561 VanDerWaalsContact O-CA 3.28Å; C557-G561 WeakPolarHBondContact O-CA 3.38Å; C557-G561 PolarHBondContact O-N 3.13Å; C557-Y562 WeakPolarHBondContact CB-O 3.32Å; C557-Y562 PolarHBondContact N-O 3.15Å; C557-L570 HydrophobicContact CB-CD1 4.06Å; C557-H573 PolarHBondContact SG-NE2 3.45Å; C557-H573 VanDerWaalsContact SG-NE2 3.38Å; C557-M574 HydrophobicContact CB-SD 4.27Å
558	E	85.4	Confident	85.4	Confident	187 Å²	187	77.9 Å²	77.9	87%	0.874	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.3	179	-67.9	158.7	-154.9	0	0	113
559	I	83.9	Confident	85.4	Confident	106 Å²	106	76.7 Å²	76.7	54%	0.544	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-35.5	-174.6	-60.2	173.8	0	0	0	112.7	C557 M574 H577	C557-I559 PolarHBondContact O-N 3.29Å; C557-I559 PolarHBondContact SG-N 2.76Å; C557-I559 VanDerWaalsContact SG-N 3.41Å; I559-M574 HydrophobicContact CD1-CE 3.61Å; I559-M574 HydrophobicContact CG1-CE 4.16Å; I559-H577 HydrophobicContact CD1-CB 3.55Å; I559-H577 HydrophobicContact CG2-CB 4.31Å
560	C	85.7	Confident	85.4	Confident	70 Å²	70	73.8 Å²	73.8	47%	0.473	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	8.9	-175.4	73	0	0	0	0	114.9	C557 Y562 H573 H577	C557-C560 VanDerWaalsContact SG-SG 3.63Å; C560-Y562 PolarHBondContact O-N 2.87Å; C560-Y562 VanDerWaalsContact O-N 3.07Å; C560-H573 VanDerWaalsContact SG-CE1 3.54Å; C560-H573 PolarHBondContact SG-NE2 3.19Å; C560-H577 VanDerWaalsContact SG-CE1 3.57Å; C560-H577 PolarHBondContact SG-NE2 3.12Å
561	G	84.2	Confident	85.6	Confident	34 Å²	34	74.9 Å²	74.9	35%	0.351	39%	0.394	S	S	.	.			trans	71.9	-4.1	177.7	0	0	0	0	0	116	Q556 C557 Q563	Q556-G561 WeakPolarHBondContact CG-O 3.43Å; Q556-G561 PolarHBondContact NE2-O 3.4Å; C557-G561 VanDerWaalsContact O-CA 3.28Å; C557-G561 WeakPolarHBondContact O-CA 3.38Å; C557-G561 PolarHBondContact O-N 3.13Å; G561-Q563 WeakPolarHBondContact O-CG 3.39Å; G561-Q563 PolarHBondContact O-N 3.36Å
562	Y	85.6	Confident	85.6	Confident	112 Å²	112	81.6 Å²	81.6	44%	0.439	41%	0.408	S	S	.	.			trans	-54	127.7	177.8	171.4	-101	0	0	0	112	Q556 C557 C560 C564 H573	Q556-Y562 CarbonylContact C-O 3.33Å; Q556-Y562 WeakPolarHBondContact CA-O 3.22Å; C557-Y562 WeakPolarHBondContact CB-O 3.32Å; C557-Y562 PolarHBondContact N-O 3.15Å; C560-Y562 PolarHBondContact O-N 2.87Å; C560-Y562 VanDerWaalsContact O-N 3.07Å; Y562-C564 HydrophobicContact CE1-CB 3.89Å; Y562-H573 WeakPolarHBondContact CB-CE1 3.05Å; Y562-H573 HydrophobicContact CD1-CB 4.11Å; Y562-H573 AromaticContact CD1-CD2 3.79Å; Y562-H573 AromaticContact CD1-CE1 3.49Å; Y562-H573 VanDerWaalsContact CD1-CE1 3.49Å; Y562-H573 WeakPolarHBondContact CD1-CE1 3.38Å; Y562-H573 AromaticContact CD1-CG 3.46Å; Y562-H573 VanDerWaalsContact CD1-CG 3.46Å; Y562-H573 AromaticContact CD1-ND1 3.25Å; Y562-H573 WeakPolarHBondContact CD1-ND1 3.28Å; Y562-H573 AromaticContact CD1-NE2 3.8Å; Y562-H573 HydrophobicContact CE1-CB 4.05Å; Y562-H573 AromaticContact CE1-CG 3.86Å; Y562-H573 AromaticContact CE1-ND1 3.69Å; Y562-H573 AromaticContact CG-CE1 3.45Å; Y562-H573 VanDerWaalsContact CG-CE1 3.45Å; Y562-H573 AromaticContact CG-ND1 3.62Å; Y562-H573 AromaticContact CG-NE2 3.95Å
563	Q	87.8	Confident	85.7	Confident	96 Å²	96	78.7 Å²	78.7	45%	0.449	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.7	-177.2	-51.4	-171.5	-7.8	0	0	112.2	T553 L555 Q556 G561	T553-Q563 HydrophobicContact CG2-CB 4.29Å; T553-Q563 PolarHBondContact OG1-OE1 3.19Å; L555-Q563 WeakPolarHBondContact O-CA 3.49Å; Q556-Q563 HydrophobicContact CB-CG 4.32Å; Q556-Q563 HydrophobicContact CG-CG 4Å; G561-Q563 WeakPolarHBondContact O-CG 3.39Å; G561-Q563 PolarHBondContact O-N 3.36Å
564	C	85.5	Confident	85.7	Confident	7 Å²	7	79.2 Å²	79.2	5%	0.047	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	169.6	178.9	68.4	0	0	0	0	113	T553 L555 Y562 Q566	T553-C564 CarbonylContact C-O 3.55Å; T553-C564 WeakPolarHBondContact CA-O 3.35Å; L555-C564 PolarHBondContact O-N 3.47Å; Y562-C564 HydrophobicContact CE1-CB 3.89Å; C564-Q566 PolarHBondContact SG-O 2.9Å; C564-Q566 VanDerWaalsContact SG-O 3.39Å
565	R	85.8	Confident	85.7	Confident	90 Å²	90	80.6 Å²	80.6	34%	0.34	39%	0.393	S	S	.	.	S	Bend	trans	-91.6	-15.3	-174.5	-52.6	-170.4	168.4	96.5	9.6	113.9	R547 G551 E552 T553	R547-R565 HydrophobicContact CB-CB 4.4Å; R547-R565 HydrophobicContact CB-CG 4.43Å; R547-R565 PolarHBondContact NH1-O 2.88Å; R547-R565 VanDerWaalsContact NH1-O 3.11Å; R547-R565 WeakPolarHBondContact O-CD 3.34Å; R547-R565 PolarHBondContact O-NE 3.32Å; G551-R565 PolarHBondContact O-NE 3.04Å; G551-R565 PolarHBondContact O-NH2 2.95Å; E552-R565 WeakPolarHBondContact O-CG 3.35Å; T553-R565 HydrophobicContact CG2-CG 3.98Å
566	Q	85.8	Confident	85.3	Confident	84 Å²	84	85.8 Å²	85.8	39%	0.393	42%	0.415	S	S	.	.			trans	-134.6	140.3	-168.1	-57.3	-171.8	29.5	0	0	113.2	V544 C564 A568 S569 L570	V544-Q566 HydrophobicContact CG1-CG 3.5Å; V544-Q566 HydrophobicContact CG2-CG 4.45Å; C564-Q566 PolarHBondContact SG-O 2.9Å; C564-Q566 VanDerWaalsContact SG-O 3.39Å; Q566-A568 VanDerWaalsContact C-N 3.28Å; Q566-A568 PolarHBondContact O-N 2.99Å; Q566-S569 PolarHBondContact O-N 3.25Å; Q566-L570 PolarHBondContact O-N 2.96Å; Q566-L570 VanDerWaalsContact O-N 3.07Å
567	R	85.7	Confident	84.7	Confident	179 Å²	179	83.7 Å²	83.7	68%	0.675	41%	0.405	S	S	*	.	H	α-helix	trans	-67.2	-28	178.8	-160.2	75.2	178.2	-170.7	3.8	112.8	L555 N571	L555-R567 HydrophobicContact CD1-CB 4.03Å; R567-N571 WeakPolarHBondContact O-CB 3.5Å; R567-N571 PolarHBondContact O-N 3.36Å
568	A	85.8	Confident	84	Confident	69 Å²	69	86.6 Å²	86.6	57%	0.57	42%	0.422	S	S	*	.	H	α-helix	trans	-66.3	-47.3	173.4	0	0	0	0	0	111.6	Q566 L570 N571 W572	Q566-A568 VanDerWaalsContact C-N 3.28Å; Q566-A568 PolarHBondContact O-N 2.99Å; A568-L570 VanDerWaalsContact C-N 3.33Å; A568-L570 PolarHBondContact O-N 2.94Å; A568-N571 PolarHBondContact O-N 3.15Å; A568-W572 WeakPolarHBondContact O-CB 3.41Å; A568-W572 PolarHBondContact O-N 3.42Å
569	S	87.4	Confident	82.9	Confident	45 Å²	45	81.3 Å²	81.3	32%	0.315	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-40.2	174.4	-49.4	0	0	0	0	112.1	Q566 H573	Q566-S569 PolarHBondContact O-N 3.25Å; S569-H573 VanDerWaalsContact O-CB 3.27Å; S569-H573 WeakPolarHBondContact O-CB 3.49Å; S569-H573 PolarHBondContact O-N 2.83Å
570	L	87.9	Confident	81.7	Confident	14 Å²	14	83.6 Å²	83.6	7%	0.073	41%	0.413	C	S	.	.	H	α-helix	trans	-62.6	-48.1	173.6	-174.6	61.1	0	0	0	111.3	L555 C557 Q566 A568 W572 H573 M574	L555-L570 HydrophobicContact CB-CD2 4.22Å; L555-L570 HydrophobicContact CD2-CD2 4.42Å; C557-L570 HydrophobicContact CB-CD1 4.06Å; Q566-L570 PolarHBondContact O-N 2.96Å; Q566-L570 VanDerWaalsContact O-N 3.07Å; A568-L570 VanDerWaalsContact C-N 3.33Å; A568-L570 PolarHBondContact O-N 2.94Å; L570-W572 PolarHBondContact O-N 2.86Å; L570-H573 CarbonylContact O-C 3.35Å; L570-H573 WeakPolarHBondContact O-CB 3.5Å; L570-H573 PolarHBondContact O-N 2.76Å; L570-H573 VanDerWaalsContact O-N 3.17Å; L570-M574 HydrophobicContact CD1-CG 4.34Å; L570-M574 HydrophobicContact CD1-SD 4.49Å; L570-M574 HydrophobicContact CG-CG 4.3Å; L570-M574 VanDerWaalsContact O-CG 3.3Å; L570-M574 WeakPolarHBondContact O-CG 3.45Å; L570-M574 PolarHBondContact O-N 2.93Å
571	N	86.4	Confident	80.2	Confident	101 Å²	101	82.5 Å²	82.5	54%	0.54	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-45.9	179.9	-170.7	-8.1	0	0	0	111.6	R567 A568 H573 M574 K575	R567-N571 WeakPolarHBondContact O-CB 3.5Å; R567-N571 PolarHBondContact O-N 3.36Å; A568-N571 PolarHBondContact O-N 3.15Å; N571-H573 VanDerWaalsContact C-N 3.29Å; N571-H573 PolarHBondContact O-N 3.24Å; N571-M574 PolarHBondContact O-N 2.72Å; N571-M574 VanDerWaalsContact O-N 3.16Å; N571-K575 PolarHBondContact O-N 2.67Å
572	W	83.9	Confident	78.9	Confident	176 Å²	176	83 Å²	83	67%	0.667	40%	0.403	S	S	*	.	H	α-helix	trans	-59.9	-38.4	174.1	-177.1	-105.1	0	0	0	112.9	A568 L570 K575	A568-W572 WeakPolarHBondContact O-CB 3.41Å; A568-W572 PolarHBondContact O-N 3.42Å; L570-W572 PolarHBondContact O-N 2.86Å; W572-K575 HydrophobicContact CE3-CD 4.34Å
573	H	85.2	Confident	77.7	Confident	29 Å²	29	82 Å²	82	13%	0.134	40%	0.399	C	S	.	.	H	α-helix	trans	-67.4	-43	173.2	174.3	94.4	0	0	0	112.2	C557 C560 Y562 S569 L570 N571 K575 K576 H577	C557-H573 PolarHBondContact SG-NE2 3.45Å; C557-H573 VanDerWaalsContact SG-NE2 3.38Å; C560-H573 VanDerWaalsContact SG-CE1 3.54Å; C560-H573 PolarHBondContact SG-NE2 3.19Å; Y562-H573 WeakPolarHBondContact CB-CE1 3.05Å; Y562-H573 HydrophobicContact CD1-CB 4.11Å; Y562-H573 AromaticContact CD1-CD2 3.79Å; Y562-H573 AromaticContact CD1-CE1 3.49Å; Y562-H573 VanDerWaalsContact CD1-CE1 3.49Å; Y562-H573 WeakPolarHBondContact CD1-CE1 3.38Å; Y562-H573 AromaticContact CD1-CG 3.46Å; Y562-H573 VanDerWaalsContact CD1-CG 3.46Å; Y562-H573 AromaticContact CD1-ND1 3.25Å; Y562-H573 WeakPolarHBondContact CD1-ND1 3.28Å; Y562-H573 AromaticContact CD1-NE2 3.8Å; Y562-H573 HydrophobicContact CE1-CB 4.05Å; Y562-H573 AromaticContact CE1-CG 3.86Å; Y562-H573 AromaticContact CE1-ND1 3.69Å; Y562-H573 AromaticContact CG-CE1 3.45Å; Y562-H573 VanDerWaalsContact CG-CE1 3.45Å; Y562-H573 AromaticContact CG-ND1 3.62Å; Y562-H573 AromaticContact CG-NE2 3.95Å; S569-H573 VanDerWaalsContact O-CB 3.27Å; S569-H573 WeakPolarHBondContact O-CB 3.49Å; S569-H573 PolarHBondContact O-N 2.83Å; L570-H573 CarbonylContact O-C 3.35Å; L570-H573 WeakPolarHBondContact O-CB 3.5Å; L570-H573 PolarHBondContact O-N 2.76Å; L570-H573 VanDerWaalsContact O-N 3.17Å; N571-H573 VanDerWaalsContact C-N 3.29Å; N571-H573 PolarHBondContact O-N 3.24Å; H573-K575 PolarHBondContact O-N 3.31Å; H573-K576 WeakPolarHBondContact O-CB 3.21Å; H573-K576 PolarHBondContact O-N 3.47Å; H573-H577 AromaticContact CD2-CD2 3.86Å; H573-H577 AromaticContact CD2-NE2 3.61Å; H573-H577 AromaticContact CE1-NE2 3.63Å; H573-H577 AromaticContact NE2-CD2 3.64Å; H573-H577 AromaticContact NE2-NE2 2.92Å; H573-H577 PolarHBondContact NE2-NE2 2.81Å
574	M	82.2	Confident	76.6	Confident	56 Å²	56	82.4 Å²	82.4	28%	0.276	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-33	177.4	-68.7	-57.7	-68.6	0	0	112.3	C557 I559 L570 N571 K576 H577 T578	C557-M574 HydrophobicContact CB-SD 4.27Å; I559-M574 HydrophobicContact CD1-CE 3.61Å; I559-M574 HydrophobicContact CG1-CE 4.16Å; L570-M574 HydrophobicContact CD1-CG 4.34Å; L570-M574 HydrophobicContact CD1-SD 4.49Å; L570-M574 HydrophobicContact CG-CG 4.3Å; L570-M574 VanDerWaalsContact O-CG 3.3Å; L570-M574 WeakPolarHBondContact O-CG 3.45Å; L570-M574 PolarHBondContact O-N 2.93Å; N571-M574 PolarHBondContact O-N 2.72Å; N571-M574 VanDerWaalsContact O-N 3.16Å; M574-K576 PolarHBondContact O-N 3.09Å; M574-K576 VanDerWaalsContact O-N 3.15Å; M574-H577 PolarHBondContact O-N 3.08Å; M574-T578 PolarHBondContact O-N 3.28Å
575	K	82.6	Confident	75.9	Confident	103 Å²	103	85.6 Å²	85.6	45%	0.448	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-57.6	-25.6	172.6	-71.1	-170.8	176.1	-164.9	0	113.8	N571 W572 H573 H577 T578 L582	N571-K575 PolarHBondContact O-N 2.67Å; W572-K575 HydrophobicContact CE3-CD 4.34Å; H573-K575 PolarHBondContact O-N 3.31Å; K575-H577 VanDerWaalsContact C-N 3.33Å; K575-T578 WeakPolarHBondContact CA-OG1 3.37Å; K575-T578 PolarHBondContact O-N 3.37Å; K575-T578 PolarHBondContact O-OG1 2.98Å; K575-L582 WeakPolarHBondContact O-CD2 3.38Å
576	K	76.3	Confident	75.6	Confident	139 Å²	139	84.8 Å²	84.8	60%	0.604	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-73.6	-23.1	174.9	-61.3	-166.4	172.1	-164	0	113.5	H573 M574	H573-K576 WeakPolarHBondContact O-CB 3.21Å; H573-K576 PolarHBondContact O-N 3.47Å; M574-K576 PolarHBondContact O-N 3.09Å; M574-K576 VanDerWaalsContact O-N 3.15Å
577	H	77.1	Confident	75.4	Confident	59 Å²	59	80.8 Å²	80.8	27%	0.273	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-89.7	-4.6	176.4	-61.4	-65	0	0	0	113.2	I559 C560 H573 M574 K575 P579	I559-H577 HydrophobicContact CD1-CB 3.55Å; I559-H577 HydrophobicContact CG2-CB 4.31Å; C560-H577 VanDerWaalsContact SG-CE1 3.57Å; C560-H577 PolarHBondContact SG-NE2 3.12Å; H573-H577 AromaticContact CD2-CD2 3.86Å; H573-H577 AromaticContact CD2-NE2 3.61Å; H573-H577 AromaticContact CE1-NE2 3.63Å; H573-H577 AromaticContact NE2-CD2 3.64Å; H573-H577 AromaticContact NE2-NE2 2.92Å; H573-H577 PolarHBondContact NE2-NE2 2.81Å; M574-H577 PolarHBondContact O-N 3.08Å; K575-H577 VanDerWaalsContact C-N 3.33Å; H577-P579 VanDerWaalsContact C-CD 3.46Å; H577-P579 WeakPolarHBondContact O-CD 3.23Å
578	T	73.8	Confident	75.1	Confident	62 Å²	62	78.4 Å²	78.4	38%	0.38	40%	0.4	S	S	.	.			trans	-104.6	79.4	171.4	51.8	0	0	0	0	109.4	M574 K575 E580 A581 L582	M574-T578 PolarHBondContact O-N 3.28Å; K575-T578 WeakPolarHBondContact CA-OG1 3.37Å; K575-T578 PolarHBondContact O-N 3.37Å; K575-T578 PolarHBondContact O-OG1 2.98Å; T578-E580 PolarHBondContact O-N 2.8Å; T578-E580 VanDerWaalsContact O-N 3.16Å; T578-A581 PolarHBondContact O-N 3.47Å; T578-L582 PolarHBondContact O-N 3.13Å
579	P	61.8	Low	74.8	Confident	77 Å²	77	78.3 Å²	78.3	50%	0.5	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-59.4	-30.5	-174.4	24.1	-34.7	0	0	0	112.7	H577 A581 L582 Y583	H577-P579 VanDerWaalsContact C-CD 3.46Å; H577-P579 WeakPolarHBondContact O-CD 3.23Å; P579-A581 VanDerWaalsContact C-N 3.26Å; P579-A581 PolarHBondContact O-N 3.21Å; P579-L582 PolarHBondContact O-N 2.83Å; P579-Y583 WeakPolarHBondContact O-CD2 3.47Å
580	E	58.7	Low	74.6	Confident	154 Å²	154	78.2 Å²	78.2	72%	0.72	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-60.9	-32.7	175.2	-67.4	152.9	173.5	0	0	113.1	T578 R593	T578-E580 PolarHBondContact O-N 2.8Å; T578-E580 VanDerWaalsContact O-N 3.16Å; E580-R593 PolarHBondContact O-NH2 3.3Å
581	A	54.2	Low	74	Confident	46 Å²	46	83.7 Å²	83.7	38%	0.38	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-101.3	1.8	-176	0	0	0	0	0	114.2	T578 P579 N584	T578-A581 PolarHBondContact O-N 3.47Å; P579-A581 VanDerWaalsContact C-N 3.26Å; P579-A581 PolarHBondContact O-N 3.21Å; A581-N584 PolarHBondContact O-ND2 3.01Å; A581-N584 PolarHBondContact O-OD1 3.32Å
582	L	57.5	Low	73.6	Confident	45 Å²	45	84.2 Å²	84.2	24%	0.236	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-50.5	159.9	-66.5	176.5	0	0	0	109.1	K575 T578 P579 N584 E595	K575-L582 WeakPolarHBondContact O-CD2 3.38Å; T578-L582 PolarHBondContact O-N 3.13Å; P579-L582 PolarHBondContact O-N 2.83Å; L582-N584 VanDerWaalsContact C-N 3.31Å; L582-N584 PolarHBondContact O-N 3.01Å; L582-N584 PolarHBondContact O-ND2 2.9Å; L582-E595 HydrophobicContact CB-CG 4.4Å; L582-E595 WeakPolarHBondContact O-CA 3.27Å
583	Y	59.8	Low	73.4	Confident	92 Å²	92	82 Å²	82	36%	0.361	41%	0.405	S	S	.	.			trans	-85.6	60.7	-171.8	-70.9	-63.8	0	0	0	113.9	P579 R593 E595	P579-Y583 WeakPolarHBondContact O-CD2 3.47Å; Y583-R593 HydrophobicContact CD1-CB 3.87Å; Y583-R593 HydrophobicContact CG-CB 4.09Å; Y583-R593 PolarHBondContact O-NE 3.35Å; Y583-R593 PolarHBondContact O-NH2 3.33Å; Y583-E595 HydrophobicContact CD1-CG 4.17Å; Y583-E595 HydrophobicContact CE1-CG 3.83Å
584	N	65.9	Low	73.1	Confident	104 Å²	104	82.8 Å²	82.8	56%	0.556	41%	0.408	S	S	*	.			trans	-79.1	-15.7	-177.8	-55.4	-57.8	0	0	0	114.1	A581 L582	A581-N584 PolarHBondContact O-ND2 3.01Å; A581-N584 PolarHBondContact O-OD1 3.32Å; L582-N584 VanDerWaalsContact C-N 3.31Å; L582-N584 PolarHBondContact O-N 3.01Å; L582-N584 PolarHBondContact O-ND2 2.9Å
585	F	70.8	Confident	72.8	Confident	74 Å²	74	85.1 Å²	85.1	33%	0.325	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.8	-175.2	-52.6	-79	0	0	0	110.9	F594 K596 L597 V600	F585-F594 PolarHBondContact N-O 3.17Å; F585-F594 PolarHBondContact O-N 2.91Å; F585-K596 VanDerWaalsContact CD2-C 3.49Å; F585-L597 HydrophobicContact CD1-CB 4.02Å; F585-L597 HydrophobicContact CD1-CD1 3.79Å; F585-L597 HydrophobicContact CD1-CG 4.48Å; F585-L597 HydrophobicContact CD2-CB 4.4Å; F585-L597 VanDerWaalsContact CD2-N 3.34Å; F585-L597 HydrophobicContact CE1-CB 3.83Å; F585-L597 HydrophobicContact CE1-CD1 4.06Å; F585-L597 HydrophobicContact CE1-CG 4.39Å; F585-L597 HydrophobicContact CE2-CB 4.22Å; F585-L597 HydrophobicContact CG-CB 4.3Å; F585-L597 HydrophobicContact CZ-CB 3.93Å; F585-V600 HydrophobicContact CB-CG2 3.46Å; F585-V600 VanDerWaalsContact CB-CG2 3.46Å
586	T	78.8	Confident	72.5	Confident	72 Å²	72	86.6 Å²	86.6	44%	0.442	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	159.9	172.6	38.9	0	0	0	0	111.2	K592 R593	T586-K592 CarbonylContact C-O 3.01Å; T586-K592 WeakPolarHBondContact CA-O 3.35Å; T586-R593 HydrophobicContact CG2-CG 3.95Å
587	C	82	Confident	72.6	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	42%	0.416	C	S	.	.			trans	-98.2	112.6	167.7	-175.7	0	0	0	0	110.1	F589 C590 D591 K592 F594 V600 H603 H608	C587-F589 PolarHBondContact O-N 3.4Å; C587-C590 PolarHBondContact O-N 2.86Å; C587-C590 VanDerWaalsContact O-N 3.14Å; C587-D591 WeakPolarHBondContact O-CA 3.46Å; C587-D591 PolarHBondContact O-N 2.65Å; C587-K592 PolarHBondContact N-O 3.37Å; C587-F594 HydrophobicContact CB-CE2 4.31Å; C587-V600 HydrophobicContact CB-CG1 4.47Å; C587-H603 VanDerWaalsContact SG-CD2 3.56Å; C587-H603 PolarHBondContact SG-NE2 3.15Å; C587-H603 VanDerWaalsContact SG-NE2 3.38Å; C587-H608 VanDerWaalsContact SG-CD2 3.54Å
588	E	79.1	Confident	72.8	Confident	130 Å²	130	85 Å²	85	61%	0.607	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-15	179.7	-56.7	106.5	-116	0	0	115	K604	E588-K604 WeakPolarHBondContact OE1-CE 3.36Å; E588-K604 IonicContact OE1-NZ 3.02Å; E588-K604 PolarHBondContact OE1-NZ 2.61Å; E588-K604 IonicContact OE2-NZ 2.67Å; E588-K604 PolarHBondContact OE2-NZ 2.93Å
589	F	78.9	Confident	73.4	Confident	66 Å²	66	84.4 Å²	84.4	29%	0.289	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-9.3	-175.8	-56.4	-48.5	0	0	0	115.2	C587 K604 H608 K611	C587-F589 PolarHBondContact O-N 3.4Å; F589-K604 HydrophobicContact CD2-CG 4.33Å; F589-K604 HydrophobicContact CE2-CD 4.25Å; F589-K604 HydrophobicContact CE2-CG 4.48Å; F589-H608 HydrophobicContact CB-CB 4.36Å; F589-H608 HydrophobicContact CD2-CB 3.65Å; F589-H608 AromaticContact CD2-CD2 3.93Å; F589-H608 AromaticContact CD2-CG 3.74Å; F589-H608 HydrophobicContact CE2-CB 4.31Å; F589-H608 HydrophobicContact CG-CB 4.3Å; F589-K611 HydrophobicContact CB-CD 4.21Å; F589-K611 HydrophobicContact CD1-CB 4.25Å; F589-K611 HydrophobicContact CD1-CD 3.57Å; F589-K611 HydrophobicContact CD2-CB 4.16Å; F589-K611 HydrophobicContact CD2-CD 4.38Å; F589-K611 HydrophobicContact CE1-CB 3.89Å; F589-K611 HydrophobicContact CE1-CD 3.95Å; F589-K611 HydrophobicContact CE2-CB 3.79Å; F589-K611 HydrophobicContact CG-CB 4.37Å; F589-K611 HydrophobicContact CG-CD 3.81Å; F589-K611 HydrophobicContact CZ-CB 3.65Å; F589-K611 HydrophobicContact CZ-CD 4.49Å; F589-K611 VanDerWaalsContact CZ-O 3.26Å; F589-K611 WeakPolarHBondContact CZ-O 3.5Å
590	C	83.3	Confident	74.4	Confident	44 Å²	44	81 Å²	81	30%	0.297	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.1	18.4	175.2	67.5	0	0	0	0	115.6	C587 K592 H603 H608	C587-C590 PolarHBondContact O-N 2.86Å; C587-C590 VanDerWaalsContact O-N 3.14Å; C590-K592 PolarHBondContact O-N 3.33Å; C590-K592 VanDerWaalsContact SG-CD 3.57Å; C590-H603 PolarHBondContact SG-NE2 3.26Å; C590-H608 PolarHBondContact SG-NE2 3.37Å
591	D	75.1	Confident	75.5	Confident	128 Å²	128	79 Å²	79	68%	0.684	39%	0.389	S	S	*	.			trans	56.2	6.7	175.5	-58.2	-52.3	0	0	0	117.2	C587 R593	C587-D591 WeakPolarHBondContact O-CA 3.46Å; C587-D591 PolarHBondContact O-N 2.65Å; D591-R593 PolarHBondContact O-N 2.89Å
592	K	78.6	Confident	76.9	Confident	113 Å²	113	84 Å²	84	49%	0.491	40%	0.402	S	S	.	.			trans	-59.5	133.9	175.1	-71.2	177.2	-170	169	0	110.2	T586 C587 C590 F594	T586-K592 CarbonylContact C-O 3.01Å; T586-K592 WeakPolarHBondContact CA-O 3.35Å; C587-K592 PolarHBondContact N-O 3.37Å; C590-K592 PolarHBondContact O-N 3.33Å; C590-K592 VanDerWaalsContact SG-CD 3.57Å; K592-F594 HydrophobicContact CB-CD2 4.49Å; K592-F594 HydrophobicContact CB-CE2 3.49Å; K592-F594 VanDerWaalsContact CB-CE2 3.49Å; K592-F594 HydrophobicContact CB-CZ 3.83Å; K592-F594 VanDerWaalsContact O-CD2 3.28Å; K592-F594 WeakPolarHBondContact O-CD2 3.43Å; K592-F594 VanDerWaalsContact O-CE2 3.25Å; K592-F594 WeakPolarHBondContact O-CE2 3.19Å
593	R	80.2	Confident	78.3	Confident	130 Å²	130	82.7 Å²	82.7	49%	0.491	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.5	-174.4	-68.4	-170.1	76.5	176.5	0.1	111.3	E580 Y583 T586 D591	E580-R593 PolarHBondContact O-NH2 3.3Å; Y583-R593 HydrophobicContact CD1-CB 3.87Å; Y583-R593 HydrophobicContact CG-CB 4.09Å; Y583-R593 PolarHBondContact O-NE 3.35Å; Y583-R593 PolarHBondContact O-NH2 3.33Å; T586-R593 HydrophobicContact CG2-CG 3.95Å; D591-R593 PolarHBondContact O-N 2.89Å
594	F	79.1	Confident	79.4	Confident	45 Å²	45	80.1 Å²	80.1	20%	0.197	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.3	-175.5	-60.7	-93.4	0	0	0	112.4	F585 C587 K592 K596 V600 H603	F585-F594 PolarHBondContact N-O 3.17Å; F585-F594 PolarHBondContact O-N 2.91Å; C587-F594 HydrophobicContact CB-CE2 4.31Å; K592-F594 HydrophobicContact CB-CD2 4.49Å; K592-F594 HydrophobicContact CB-CE2 3.49Å; K592-F594 VanDerWaalsContact CB-CE2 3.49Å; K592-F594 HydrophobicContact CB-CZ 3.83Å; K592-F594 VanDerWaalsContact O-CD2 3.28Å; K592-F594 WeakPolarHBondContact O-CD2 3.43Å; K592-F594 VanDerWaalsContact O-CE2 3.25Å; K592-F594 WeakPolarHBondContact O-CE2 3.19Å; F594-K596 VanDerWaalsContact C-N 3.34Å; F594-V600 HydrophobicContact CB-CG2 3.67Å; F594-V600 HydrophobicContact CD2-CG2 3.64Å; F594-V600 HydrophobicContact CG-CG2 3.86Å; F594-H603 HydrophobicContact CE1-CB 3.93Å; F594-H603 HydrophobicContact CE2-CB 4.23Å; F594-H603 AromaticContact CE2-CD2 3.24Å; F594-H603 WeakPolarHBondContact CE2-CD2 3.37Å; F594-H603 AromaticContact CE2-CG 3.87Å; F594-H603 AromaticContact CE2-NE2 3.97Å; F594-H603 HydrophobicContact CZ-CB 3.61Å; F594-H603 AromaticContact CZ-CD2 3.19Å; F594-H603 WeakPolarHBondContact CZ-CD2 3.37Å; F594-H603 AromaticContact CZ-CG 3.33Å; F594-H603 AromaticContact CZ-NE2 3.92Å
595	E	75.4	Confident	80.2	Confident	105 Å²	105	80.2 Å²	80.2	49%	0.491	39%	0.386	S	S	.	.	S	Bend	trans	-78.4	-15.7	-178.7	-57	-172.5	149.4	0	0	114.1	L582 Y583	L582-E595 HydrophobicContact CB-CG 4.4Å; L582-E595 WeakPolarHBondContact O-CA 3.27Å; Y583-E595 HydrophobicContact CD1-CG 4.17Å; Y583-E595 HydrophobicContact CE1-CG 3.83Å
596	K	76.9	Confident	80.8	Confident	133 Å²	133	85.6 Å²	85.6	58%	0.578	41%	0.409	S	S	*	.	S	Bend	trans	-140.7	141.2	-174.5	-59.2	-179.8	-175.7	177.2	0	110.4	F585 F594 D598 S599 V600	F585-K596 VanDerWaalsContact CD2-C 3.49Å; F594-K596 VanDerWaalsContact C-N 3.34Å; K596-D598 VanDerWaalsContact C-N 3.28Å; K596-D598 PolarHBondContact O-N 3.35Å; K596-S599 WeakPolarHBondContact O-CB 3.39Å; K596-S599 PolarHBondContact O-N 2.91Å; K596-S599 VanDerWaalsContact O-N 3.14Å; K596-V600 PolarHBondContact O-N 3.44Å
597	L	77.4	Confident	80.8	Confident	82 Å²	82	85 Å²	85	43%	0.429	41%	0.408	S	S	.	.	H	α-helix	trans	-57.6	-40.5	177.5	-178.9	62.6	0	0	0	112	F585 S599 V600 K601	F585-L597 HydrophobicContact CD1-CB 4.02Å; F585-L597 HydrophobicContact CD1-CD1 3.79Å; F585-L597 HydrophobicContact CD1-CG 4.48Å; F585-L597 HydrophobicContact CD2-CB 4.4Å; F585-L597 VanDerWaalsContact CD2-N 3.34Å; F585-L597 HydrophobicContact CE1-CB 3.83Å; F585-L597 HydrophobicContact CE1-CD1 4.06Å; F585-L597 HydrophobicContact CE1-CG 4.39Å; F585-L597 HydrophobicContact CE2-CB 4.22Å; F585-L597 HydrophobicContact CG-CB 4.3Å; F585-L597 HydrophobicContact CZ-CB 3.93Å; L597-S599 VanDerWaalsContact C-N 3.31Å; L597-S599 PolarHBondContact O-N 3.06Å; L597-V600 WeakPolarHBondContact O-CA 3.45Å; L597-V600 WeakPolarHBondContact O-CB 3.23Å; L597-V600 PolarHBondContact O-N 3.43Å; L597-K601 PolarHBondContact O-N 2.66Å
598	D	82.1	Confident	80.8	Confident	82 Å²	82	86.3 Å²	86.3	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-69.4	-30.4	-179.3	-52.3	-58.3	0	0	0	112.3	K596 V600 K601 F602	K596-D598 VanDerWaalsContact C-N 3.28Å; K596-D598 PolarHBondContact O-N 3.35Å; D598-V600 VanDerWaalsContact C-N 3.27Å; D598-V600 PolarHBondContact O-N 3.05Å; D598-K601 PolarHBondContact O-N 3.48Å; D598-K601 VanDerWaalsContact O-N 3.15Å; D598-K601 WeakPolarHBondContact OD1-CE 3.4Å; D598-K601 IonicContact OD1-NZ 3.65Å; D598-K601 PolarHBondContact OD1-NZ 2.99Å; D598-F602 WeakPolarHBondContact O-CD2 3.33Å; D598-F602 PolarHBondContact O-N 3.27Å
599	S	85.6	Confident	80.4	Confident	50 Å²	50	83.9 Å²	83.9	35%	0.35	41%	0.409	S	S	.	.	H	α-helix	trans	-62.5	-34.7	169.4	-57	0	0	0	0	111.8	K596 L597 H603	K596-S599 WeakPolarHBondContact O-CB 3.39Å; K596-S599 PolarHBondContact O-N 2.91Å; K596-S599 VanDerWaalsContact O-N 3.14Å; L597-S599 VanDerWaalsContact C-N 3.31Å; L597-S599 PolarHBondContact O-N 3.06Å; S599-H603 WeakPolarHBondContact O-CB 3.43Å; S599-H603 PolarHBondContact O-N 3.17Å
600	V	83.4	Confident	79.9	Confident	6 Å²	6	89 Å²	89	4%	0.036	43%	0.434	C	S	.	.	H	α-helix	trans	-67.6	-43.9	170.3	-176.9	0	0	0	0	111.2	F585 C587 F594 K596 L597 D598 H603 K604	F585-V600 HydrophobicContact CB-CG2 3.46Å; F585-V600 VanDerWaalsContact CB-CG2 3.46Å; C587-V600 HydrophobicContact CB-CG1 4.47Å; F594-V600 HydrophobicContact CB-CG2 3.67Å; F594-V600 HydrophobicContact CD2-CG2 3.64Å; F594-V600 HydrophobicContact CG-CG2 3.86Å; K596-V600 PolarHBondContact O-N 3.44Å; L597-V600 WeakPolarHBondContact O-CA 3.45Å; L597-V600 WeakPolarHBondContact O-CB 3.23Å; L597-V600 PolarHBondContact O-N 3.43Å; D598-V600 VanDerWaalsContact C-N 3.27Å; D598-V600 PolarHBondContact O-N 3.05Å; V600-H603 PolarHBondContact O-N 2.88Å; V600-K604 HydrophobicContact CG1-CD 4.3Å; V600-K604 HydrophobicContact CG1-CG 4.18Å; V600-K604 WeakPolarHBondContact O-CB 3.3Å; V600-K604 WeakPolarHBondContact O-CG 3.34Å; V600-K604 PolarHBondContact O-N 2.81Å
601	K	81.8	Confident	79	Confident	111 Å²	111	91.9 Å²	91.9	48%	0.483	44%	0.442	S	S	.	.	H	α-helix	trans	-58.2	-50.5	177.1	-63.9	174.6	-170.6	156.9	0	111.5	L597 D598 H603 K604 L605	L597-K601 PolarHBondContact O-N 2.66Å; D598-K601 PolarHBondContact O-N 3.48Å; D598-K601 VanDerWaalsContact O-N 3.15Å; D598-K601 WeakPolarHBondContact OD1-CE 3.4Å; D598-K601 IonicContact OD1-NZ 3.65Å; D598-K601 PolarHBondContact OD1-NZ 2.99Å; K601-H603 VanDerWaalsContact C-N 3.32Å; K601-H603 PolarHBondContact O-N 3.27Å; K601-K604 PolarHBondContact O-N 2.89Å; K601-L605 WeakPolarHBondContact O-CB 3.5Å; K601-L605 PolarHBondContact O-N 3.39Å
602	F	84.3	Confident	78.2	Confident	151 Å²	151	90.6 Å²	90.6	66%	0.662	43%	0.431	S	S	*	.	H	α-helix	trans	-62.2	-37.5	176.7	-76.6	-63.7	0	0	0	112.5	D598 L605 K606	D598-F602 WeakPolarHBondContact O-CD2 3.33Å; D598-F602 PolarHBondContact O-N 3.27Å; F602-L605 PolarHBondContact O-N 3.44Å; F602-K606 VanDerWaalsContact O-CB 3.29Å; F602-K606 WeakPolarHBondContact O-CB 3.23Å; F602-K606 PolarHBondContact O-N 2.64Å
603	H	85.3	Confident	76.9	Confident	18 Å²	18	89.5 Å²	89.5	8%	0.083	44%	0.443	C	S	.	.	H	α-helix	trans	-68.9	-44.5	174.9	166.2	47.9	0	0	0	112.7	C587 C590 F594 S599 V600 K601 L605 K606 S607 H608	C587-H603 VanDerWaalsContact SG-CD2 3.56Å; C587-H603 PolarHBondContact SG-NE2 3.15Å; C587-H603 VanDerWaalsContact SG-NE2 3.38Å; C590-H603 PolarHBondContact SG-NE2 3.26Å; F594-H603 HydrophobicContact CE1-CB 3.93Å; F594-H603 HydrophobicContact CE2-CB 4.23Å; F594-H603 AromaticContact CE2-CD2 3.24Å; F594-H603 WeakPolarHBondContact CE2-CD2 3.37Å; F594-H603 AromaticContact CE2-CG 3.87Å; F594-H603 AromaticContact CE2-NE2 3.97Å; F594-H603 HydrophobicContact CZ-CB 3.61Å; F594-H603 AromaticContact CZ-CD2 3.19Å; F594-H603 WeakPolarHBondContact CZ-CD2 3.37Å; F594-H603 AromaticContact CZ-CG 3.33Å; F594-H603 AromaticContact CZ-NE2 3.92Å; S599-H603 WeakPolarHBondContact O-CB 3.43Å; S599-H603 PolarHBondContact O-N 3.17Å; V600-H603 PolarHBondContact O-N 2.88Å; K601-H603 VanDerWaalsContact C-N 3.32Å; K601-H603 PolarHBondContact O-N 3.27Å; H603-L605 VanDerWaalsContact C-N 3.28Å; H603-L605 PolarHBondContact O-N 3.24Å; H603-K606 PolarHBondContact O-N 3.19Å; H603-S607 WeakPolarHBondContact CE1-CB 3.37Å; H603-S607 PolarHBondContact CE1-OG 3.43Å; H603-S607 WeakPolarHBondContact ND1-CB 3.46Å; H603-S607 PolarHBondContact ND1-OG 3.18Å; H603-S607 WeakPolarHBondContact O-CA 3.44Å; H603-S607 VanDerWaalsContact O-CB 3.26Å; H603-S607 WeakPolarHBondContact O-CB 3.24Å; H603-S607 PolarHBondContact O-N 3.42Å; H603-S607 PolarHBondContact O-OG 3.17Å; H603-H608 AromaticContact CE1-NE2 3.69Å; H603-H608 AromaticContact NE2-NE2 3.68Å
604	K	82.6	Confident	75.3	Confident	39 Å²	39	92.3 Å²	92.3	17%	0.17	48%	0.475	C	S	.	.	H	α-helix	trans	-56.1	-45.2	172	-75.7	-172.3	-176.8	-175.3	0	110.3	E588 F589 V600 K601 H608 Q612	E588-K604 WeakPolarHBondContact OE1-CE 3.36Å; E588-K604 IonicContact OE1-NZ 3.02Å; E588-K604 PolarHBondContact OE1-NZ 2.61Å; E588-K604 IonicContact OE2-NZ 2.67Å; E588-K604 PolarHBondContact OE2-NZ 2.93Å; F589-K604 HydrophobicContact CD2-CG 4.33Å; F589-K604 HydrophobicContact CE2-CD 4.25Å; F589-K604 HydrophobicContact CE2-CG 4.48Å; V600-K604 HydrophobicContact CG1-CD 4.3Å; V600-K604 HydrophobicContact CG1-CG 4.18Å; V600-K604 WeakPolarHBondContact O-CB 3.3Å; V600-K604 WeakPolarHBondContact O-CG 3.34Å; V600-K604 PolarHBondContact O-N 2.81Å; K601-K604 PolarHBondContact O-N 2.89Å; K604-H608 CarbonylContact O-C 3.1Å; K604-H608 VanDerWaalsContact O-CA 3.22Å; K604-H608 WeakPolarHBondContact O-CA 3.35Å; K604-H608 WeakPolarHBondContact O-CB 3.46Å; K604-H608 PolarHBondContact O-N 3.26Å; K604-Q612 PolarHBondContact O-NE2 3.44Å
605	L	82.8	Confident	75.1	Confident	106 Å²	106	94.7 Å²	94.7	56%	0.555	49%	0.489	S	S	*	.	H	α-helix	trans	-64.3	-42.3	178.7	-166.9	66.7	0	0	0	113.2	K601 F602 H603 Q612	K601-L605 WeakPolarHBondContact O-CB 3.5Å; K601-L605 PolarHBondContact O-N 3.39Å; F602-L605 PolarHBondContact O-N 3.44Å; H603-L605 VanDerWaalsContact C-N 3.28Å; H603-L605 PolarHBondContact O-N 3.24Å; L605-Q612 VanDerWaalsContact CA-NE2 3.26Å; L605-Q612 VanDerWaalsContact N-NE2 3.17Å
606	K	83.6	Confident	75.1	Confident	187 Å²	187	94.2 Å²	94.2	81%	0.813	49%	0.489	S	S	*	.	H	α-helix	trans	-86.5	-21.8	-176.2	-171	169.1	-178.7	175.6	0	114.7	F602 H603	F602-K606 VanDerWaalsContact O-CB 3.29Å; F602-K606 WeakPolarHBondContact O-CB 3.23Å; F602-K606 PolarHBondContact O-N 2.64Å; H603-K606 PolarHBondContact O-N 3.19Å
607	S	80.1	Confident	75	Confident	59 Å²	59	92 Å²	92	41%	0.413	48%	0.484	S	S	.	.	H	α-helix	trans	-120.6	-14.3	-174.6	-55	0	0	0	0	114.5	H603 P609	H603-S607 WeakPolarHBondContact CE1-CB 3.37Å; H603-S607 PolarHBondContact CE1-OG 3.43Å; H603-S607 WeakPolarHBondContact ND1-CB 3.46Å; H603-S607 PolarHBondContact ND1-OG 3.18Å; H603-S607 WeakPolarHBondContact O-CA 3.44Å; H603-S607 VanDerWaalsContact O-CB 3.26Å; H603-S607 WeakPolarHBondContact O-CB 3.24Å; H603-S607 PolarHBondContact O-N 3.42Å; H603-S607 PolarHBondContact O-OG 3.17Å; S607-P609 VanDerWaalsContact C-CD 3.48Å
608	H	80.9	Confident	74.8	Confident	27 Å²	27	92.6 Å²	92.6	13%	0.125	49%	0.487	C	S	.	.			trans	-137	48.7	177.4	-53.6	-64.2	0	0	0	112.1	C587 F589 C590 H603 K604 E610 K611	C587-H608 VanDerWaalsContact SG-CD2 3.54Å; F589-H608 HydrophobicContact CB-CB 4.36Å; F589-H608 HydrophobicContact CD2-CB 3.65Å; F589-H608 AromaticContact CD2-CD2 3.93Å; F589-H608 AromaticContact CD2-CG 3.74Å; F589-H608 HydrophobicContact CE2-CB 4.31Å; F589-H608 HydrophobicContact CG-CB 4.3Å; C590-H608 PolarHBondContact SG-NE2 3.37Å; H603-H608 AromaticContact CE1-NE2 3.69Å; H603-H608 AromaticContact NE2-NE2 3.68Å; K604-H608 CarbonylContact O-C 3.1Å; K604-H608 VanDerWaalsContact O-CA 3.22Å; K604-H608 WeakPolarHBondContact O-CA 3.35Å; K604-H608 WeakPolarHBondContact O-CB 3.46Å; K604-H608 PolarHBondContact O-N 3.26Å; H608-E610 VanDerWaalsContact C-N 3.28Å; H608-E610 PolarHBondContact O-N 3.01Å; H608-K611 HydrophobicContact CB-CB 4.33Å; H608-K611 PolarHBondContact O-N 3.46Å; H608-K611 VanDerWaalsContact O-N 3.16Å
609	P	70.6	Confident	74.4	Confident	79 Å²	79	93.3 Å²	93.3	51%	0.513	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-60.2	-38.9	-179.4	26.1	-34.4	0	0	0	112	S607 K611 Q612	S607-P609 VanDerWaalsContact C-CD 3.48Å; P609-K611 PolarHBondContact O-N 3.02Å; P609-Q612 PolarHBondContact O-N 3.49Å
610	E	69.6	Low	73.6	Confident	174 Å²	174	96.1 Å²	96.1	81%	0.813	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-64.3	-21.6	178.8	-63.6	167.8	-175.6	0	0	113.8	H608	H608-E610 VanDerWaalsContact C-N 3.28Å; H608-E610 PolarHBondContact O-N 3.01Å
611	K	63.9	Low	72.9	Confident	105 Å²	105	102.6 Å²	102.6	46%	0.457	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-101.7	21.7	-175.6	-57	-170.5	177.5	-174.5	0	113.5	F589 H608 P609	F589-K611 HydrophobicContact CB-CD 4.21Å; F589-K611 HydrophobicContact CD1-CB 4.25Å; F589-K611 HydrophobicContact CD1-CD 3.57Å; F589-K611 HydrophobicContact CD2-CB 4.16Å; F589-K611 HydrophobicContact CD2-CD 4.38Å; F589-K611 HydrophobicContact CE1-CB 3.89Å; F589-K611 HydrophobicContact CE1-CD 3.95Å; F589-K611 HydrophobicContact CE2-CB 3.79Å; F589-K611 HydrophobicContact CG-CB 4.37Å; F589-K611 HydrophobicContact CG-CD 3.81Å; F589-K611 HydrophobicContact CZ-CB 3.65Å; F589-K611 HydrophobicContact CZ-CD 4.49Å; F589-K611 VanDerWaalsContact CZ-O 3.26Å; F589-K611 WeakPolarHBondContact CZ-O 3.5Å; H608-K611 HydrophobicContact CB-CB 4.33Å; H608-K611 PolarHBondContact O-N 3.46Å; H608-K611 VanDerWaalsContact O-N 3.16Å; P609-K611 PolarHBondContact O-N 3.02Å
612	Q	58.4	Low	72.2	Confident	100 Å²	100	101.9 Å²	101.9	47%	0.467	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-116.7	2.4	174.1	-72	-179.6	64.5	0	0	113.3	K604 L605 P609	K604-Q612 PolarHBondContact O-NE2 3.44Å; L605-Q612 VanDerWaalsContact CA-NE2 3.26Å; L605-Q612 VanDerWaalsContact N-NE2 3.17Å; P609-Q612 PolarHBondContact O-N 3.49Å
613	A	51.7	Low	71.2	Confident	90 Å²	90	97.8 Å²	97.8	74%	0.744	53%	0.526	S	S	*	.			trans	-108.2	30.2	-175.5	0	0	0	0	0	112.9
614	T	45.3	Very low	70	Confident	190 Å²	190	105.1 Å²	105.1	100%	1.166	57%	0.567	S	S	*	*			trans	-139.5	0	-174.8	58.4	0	0	0	0	111.2

Retrieved 614 of 614 residues in 236.1 ms (Link to these results)

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