A0A096NL28_PAPAN Loading...

Transcription factor E4F1

May function as a transcriptional repressor. May also function as a ubiquitin ligase mediating ubiquitination of chromatin-associated TP53. Functions in cell survival and proliferation through control of the cell cycle. Functions in the p53 and pRB tumor suppressor pathways and regulates the cyclin CCNA2 transcription.

AlphaFold DB (A0A2K6CB42), UniProt , Accession A0A096NL28, Species PAPAN (Papio anubis, Olive baboon), Gene E4F1, Length 784 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	34.3	Very low	29.4	Very low	216 Å²	216	139.6 Å²	139.6	100%	1.064	82%	0.817	S	S	*	*				0	61.3	0	-56.8	171.3	-174.1	0	0	107
2	E	32.9	Very low	29.3	Very low	182 Å²	182	134.8 Å²	134.8	85%	0.85	81%	0.805	S	S	*	*				65.8	117.7	60.6	-62.1	148.4	132.5	0	0	110.5
3	G	29.7	Very low	29.3	Very low	72 Å²	72	138.1 Å²	138.1	74%	0.742	81%	0.806	S	S	*	*			cis	99.1	114.2	8.1	0	0	0	0	0	110.9
4	A	33.1	Very low	29.2	Very low	96 Å²	96	136.5 Å²	136.5	79%	0.793	80%	0.799	S	S	*	*			cis	92	146.2	28.9	0	0	0	0	0	114.8
5	M	32.8	Very low	29	Very low	192 Å²	192	133.1 Å²	133.1	95%	0.946	79%	0.794	S	S	*	*			trans	71	157.6	178.7	-58.9	-82.5	-178	0	0	115.7
6	A	27.8	Very low	28.8	Very low	74 Å²	74	136.8 Å²	136.8	61%	0.612	80%	0.8	S	S	*	*			cis	-174.5	-154.5	-27.1	0	0	0	0	0	108.7
7	V	28	Very low	28.7	Very low	132 Å²	132	134 Å²	134	80%	0.8	80%	0.796	S	S	*	*			trans	79	126.9	164.3	-172.9	0	0	0	0	115
8	R	25.1	Very low	30	Very low	223 Å²	223	133.6 Å²	133.6	84%	0.842	80%	0.798	S	S	*	*			cis	94.3	111.8	22.1	-80.3	-169	155.8	175.2	-6.1	117.9
9	V	25.5	Very low	29.9	Very low	121 Å²	121	131.9 Å²	131.9	73%	0.733	80%	0.8	S	S	*	*				58.6	160.3	125	-168.5	0	0	0	0	119.7
10	T	27.3	Very low	29.8	Very low	133 Å²	133	135 Å²	135	82%	0.816	81%	0.805	S	S	*	*			trans	84.7	152	169.2	71.7	0	0	0	0	117.6
11	A	27.1	Very low	29.8	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	81%	0.805	S	S	*	*			cis	-167.3	178.4	-27.4	0	0	0	0	0	110.3
12	A	27.7	Very low	29.5	Very low	82 Å²	82	126.8 Å²	126.8	68%	0.678	79%	0.794	S	S	*	*			trans	-71.9	168.3	179.4	0	0	0	0	0	115.4
13	H	29.5	Very low	29.4	Very low	177 Å²	177	129 Å²	129	82%	0.819	80%	0.795	S	S	*	*			trans	178.1	119.5	136.6	-89.3	-60.1	0	0	0	106.8
14	T	27.4	Very low	29.3	Very low	116 Å²	116	134.3 Å²	134.3	71%	0.712	80%	0.8	S	S	*	*				72.2	156.4	62.1	69.2	0	0	0	0	115.1
15	A	26.8	Very low	29.2	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	80%	0.799	S	S	*	*			trans	72.1	147.9	-178.6	0	0	0	0	0	115.6
16	E	25.9	Very low	28.9	Very low	191 Å²	191	128.3 Å²	128.3	89%	0.893	79%	0.788	S	S	*	*			cis	-169.1	-177.7	-35.2	-119	167	134.5	0	0	107.4
17	A	27.4	Very low	29	Very low	90 Å²	90	134.7 Å²	134.7	74%	0.744	81%	0.805	S	S	*	*			trans	-92.3	-153.6	171.3	0	0	0	0	0	110.2
18	P	51.8	Low	29.1	Very low	127 Å²	127	132.4 Å²	132.4	83%	0.825	81%	0.808	S	S	*	*			cis	-120.3	-177.1	-41.4	38.4	-25.7	0	0	0	111.3
19	A	27.8	Very low	29.3	Very low	101 Å²	101	126.4 Å²	126.4	84%	0.835	81%	0.806	S	S	*	*			trans	-158.4	129.5	153.8	0	0	0	0	0	112.3
20	E	29	Very low	29.5	Very low	194 Å²	194	128 Å²	128	91%	0.907	82%	0.816	S	S	*	*			trans	-107.2	176.5	165.3	-82.6	-150.8	123.4	0	0	111.1
21	A	29.3	Very low	29.6	Very low	98 Å²	98	126.1 Å²	126.1	81%	0.81	81%	0.814	S	S	*	*			trans	82.2	95.8	146.7	0	0	0	0	0	120.5
22	G	27.2	Very low	29.6	Very low	80 Å²	80	126.1 Å²	126.1	83%	0.825	81%	0.814	S	S	*	*			trans	85.7	168.9	141.3	0	0	0	0	0	117.4
23	R	30.3	Very low	29.6	Very low	230 Å²	230	128.8 Å²	128.8	87%	0.868	82%	0.822	S	S	*	*			cis	-160.3	176.9	-12.6	-166.5	172	176.4	167.3	-1.5	107.6
24	E	27.5	Very low	29.5	Very low	182 Å²	182	125 Å²	125	85%	0.85	82%	0.821	S	S	*	*			trans	76.4	158.4	166.2	-52.1	-164.5	138.1	0	0	116.8
25	A	31.7	Very low	29.5	Very low	93 Å²	93	123.8 Å²	123.8	77%	0.769	82%	0.823	S	S	*	*			cis	-167.5	159.5	-35	0	0	0	0	0	110.1
26	G	27.1	Very low	29.5	Very low	70 Å²	70	124.1 Å²	124.1	72%	0.722	83%	0.826	S	S	*	*			trans	84.8	158.5	167.8	0	0	0	0	0	115.8
27	E	30.5	Very low	29.6	Very low	207 Å²	207	123.6 Å²	123.6	97%	0.967	83%	0.828	S	S	*	*			cis	-149.1	167.2	-11.7	-72.7	-165.3	99.5	0	0	109.2
28	G	29.3	Very low	29.6	Very low	84 Å²	84	123.2 Å²	123.2	87%	0.866	83%	0.825	S	S	*	*			trans	128.5	113.2	164.9	0	0	0	0	0	114.9
29	A	28.8	Very low	29.5	Very low	97 Å²	97	122.7 Å²	122.7	80%	0.802	82%	0.821	S	S	*	*			trans	-128.9	146.6	179.1	0	0	0	0	0	111.9
30	V	30.1	Very low	29.6	Very low	155 Å²	155	123.5 Å²	123.5	94%	0.939	82%	0.821	S	S	*	*			trans	-159.2	158.6	150.2	-103.5	0	0	0	0	111.4
31	A	28.5	Very low	29.5	Very low	93 Å²	93	118 Å²	118	77%	0.769	82%	0.816	S	S	*	*			trans	-40.2	146.1	-169.9	0	0	0	0	0	118
32	A	27.1	Very low	29.3	Very low	95 Å²	95	122.2 Å²	122.2	79%	0.785	82%	0.817	S	S	*	*			cis	88.6	94.2	20.1	0	0	0	0	0	117.8
33	V	28.5	Very low	29.5	Very low	139 Å²	139	125.9 Å²	125.9	84%	0.842	82%	0.816	S	S	*	*			trans	-150.9	104.8	150.5	-165.5	0	0	0	0	104.7
34	A	27.7	Very low	29.3	Very low	97 Å²	97	118.4 Å²	118.4	80%	0.802	81%	0.811	S	S	*	*				58.2	134.9	75.9	0	0	0	0	0	113.4
35	A	27.3	Very low	29.5	Very low	91 Å²	91	118 Å²	118	75%	0.752	81%	0.814	S	S	*	*			cis	-142.1	139	-2.4	0	0	0	0	0	106.9
36	A	27.1	Very low	29.5	Very low	93 Å²	93	119.3 Å²	119.3	77%	0.769	82%	0.815	S	S	*	*				65.3	112.3	66.2	0	0	0	0	0	114.8
37	L	28.2	Very low	29.7	Very low	179 Å²	179	120.3 Å²	120.3	94%	0.937	82%	0.816	S	S	*	*			trans	-173.1	158.1	133.6	-100.3	168.3	0	0	0	111.3
38	A	27.1	Very low	30.3	Very low	83 Å²	83	116 Å²	116	69%	0.686	81%	0.806	S	S	*	*			trans	-155.1	-167.2	-179.9	0	0	0	0	0	107.7
39	P	48.7	Very low	30.4	Very low	115 Å²	115	121.6 Å²	121.6	75%	0.747	81%	0.807	S	S	*	*			cis	-123.8	-162	-40.7	31.9	-12.5	0	0	0	111.5
40	S	30.7	Very low	30.4	Very low	118 Å²	118	121.8 Å²	121.8	83%	0.825	80%	0.802	S	S	*	*			trans	106.1	148	150.8	-39.7	0	0	0	0	119.4
41	G	26.5	Very low	31.1	Very low	78 Å²	78	123.3 Å²	123.3	80%	0.804	80%	0.799	S	S	*	*			trans	104.2	111.7	176.6	0	0	0	0	0	113.1
42	F	26.5	Very low	31.4	Very low	188 Å²	188	127.2 Å²	127.2	83%	0.825	80%	0.801	S	S	*	*			cis	112.1	111.4	7.6	-159.8	-108.1	0	0	0	114.5
43	L	30.7	Very low	31.9	Very low	156 Å²	156	130.1 Å²	130.1	82%	0.817	80%	0.804	S	S	*	*			trans	66.8	140.7	173.4	-63.5	176.3	0	0	0	119.6
44	G	26.4	Very low	32.8	Very low	74 Å²	74	132.8 Å²	132.8	76%	0.763	81%	0.807	S	S	*	*			trans	151.7	72.9	168	0	0	0	0	0	115.7
45	L	31	Very low	33.9	Very low	174 Å²	174	133.9 Å²	133.9	91%	0.911	80%	0.799	S	S	*	*			trans	-88.7	141.4	153.7	-85.8	172.2	0	0	0	108.3
46	P	32.6	Very low	35.2	Very low	120 Å²	120	135.3 Å²	135.3	78%	0.779	79%	0.794	S	S	*	*				-139.6	155.3	110.6	38.2	-27.8	0	0	0	114.1
47	A	31.3	Very low	36.9	Very low	91 Å²	91	134.1 Å²	134.1	75%	0.752	78%	0.777	S	S	*	*			trans	-97.2	151.5	146.1	0	0	0	0	0	106.8
48	P	42.4	Very low	39	Very low	115 Å²	115	127.3 Å²	127.3	75%	0.747	74%	0.741	S	S	*	*				-138.6	175.3	63.7	37.8	-20.3	0	0	0	115.7
49	F	30.9	Very low	41.2	Very low	203 Å²	203	130 Å²	130	89%	0.89	73%	0.733	S	S	*	*			trans	-10.3	128.1	167.4	-63	-91.7	0	0	0	119.3
50	S	29.8	Very low	42.4	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	70%	0.7	S	S	*	*			trans	-140.1	126.2	141.8	54.3	0	0	0	0	108.6
51	E	44.1	Very low	44	Very low	187 Å²	187	123.2 Å²	123.2	87%	0.874	70%	0.702	S	S	*	*			trans	-83.9	115.5	172.3	-64.1	163	124.8	0	0	108
52	E	35.4	Very low	45.8	Very low	174 Å²	174	129.5 Å²	129.5	81%	0.813	70%	0.701	S	S	*	*			trans	-136.4	114.4	170	-65.6	-169.3	137	0	0	108	E54	E52-E54 PolarHBondContact O-N 3.17Å
53	D	37.2	Very low	48	Very low	156 Å²	156	123.1 Å²	123.1	83%	0.834	68%	0.679	S	S	*	*			trans	-66.7	125.4	-179.7	-62.9	-92.8	0	0	0	111.6	D55	D53-D55 PolarHBondContact O-N 2.86Å
54	E	46.4	Very low	49.8	Very low	195 Å²	195	122.5 Å²	122.5	91%	0.911	67%	0.672	S	S	*	*			trans	-79.6	103.1	163	-70.4	-160.8	117.5	0	0	109.2	E52 D56	E52-E54 PolarHBondContact O-N 3.17Å; E54-D56 PolarHBondContact O-N 3.2Å; E54-D56 VanDerWaalsContact O-N 3.17Å
55	D	50.8	Low	52.1	Low	120 Å²	120	120.8 Å²	120.8	64%	0.642	65%	0.651	S	S	*	*			trans	-47.6	117.4	176.5	-85.8	-61.1	0	0	0	112	D53 V57	D53-D55 PolarHBondContact O-N 2.86Å; D55-V57 VanDerWaalsContact C-N 3.29Å; D55-V57 HydrophobicContact CB-CG2 4.34Å; D55-V57 WeakPolarHBondContact O-CG2 3.47Å; D55-V57 PolarHBondContact O-N 3.07Å
56	D	55.1	Low	54.4	Low	121 Å²	121	117.5 Å²	117.5	65%	0.647	63%	0.631	S	S	*	*			trans	-78	72.6	-176.1	-162.5	-10.5	0	0	0	111.1	E54 H58	E54-D56 PolarHBondContact O-N 3.2Å; E54-D56 VanDerWaalsContact O-N 3.17Å; D56-H58 VanDerWaalsContact CG-CE1 3.49Å; D56-H58 PolarHBondContact O-CE1 3.04Å; D56-H58 PolarHBondContact O-N 3.2Å; D56-H58 PolarHBondContact O-ND1 3.25Å; D56-H58 IonicContact OD1-CE1 3.67Å; D56-H58 IonicContact OD1-ND1 2.83Å; D56-H58 IonicContact OD2-CE1 3.56Å
57	V	63.4	Low	56.7	Low	68 Å²	68	113.9 Å²	113.9	41%	0.412	60%	0.603	S	S	.	*			trans	-64.6	103.4	-170.3	-177.2	0	0	0	0	112.5	D55 R59 E66 T68	D55-V57 VanDerWaalsContact C-N 3.29Å; D55-V57 HydrophobicContact CB-CG2 4.34Å; D55-V57 WeakPolarHBondContact O-CG2 3.47Å; D55-V57 PolarHBondContact O-N 3.07Å; V57-R59 PolarHBondContact O-N 3.17Å; V57-E66 HydrophobicContact CG1-CB 3.77Å; V57-E66 HydrophobicContact CG1-CG 4Å; V57-T68 HydrophobicContact CG2-CG2 4.43Å
58	H	71.4	Confident	58.6	Low	36 Å²	36	114.3 Å²	114.3	17%	0.167	60%	0.596	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.2	113.5	-177.3	-57.5	-32	0	0	0	112.5	D56 F67 F73	D56-H58 VanDerWaalsContact CG-CE1 3.49Å; D56-H58 PolarHBondContact O-CE1 3.04Å; D56-H58 PolarHBondContact O-N 3.2Å; D56-H58 PolarHBondContact O-ND1 3.25Å; D56-H58 IonicContact OD1-CE1 3.67Å; D56-H58 IonicContact OD1-ND1 2.83Å; D56-H58 IonicContact OD2-CE1 3.56Å; H58-F67 PolarHBondContact N-O 2.78Å; H58-F67 PolarHBondContact O-N 3.16Å; H58-F73 HydrophobicContact CB-CB 4.09Å; H58-F73 HydrophobicContact CB-CD1 3.95Å; H58-F73 HydrophobicContact CB-CD2 3.94Å; H58-F73 HydrophobicContact CB-CE1 4.2Å; H58-F73 HydrophobicContact CB-CE2 4.22Å; H58-F73 HydrophobicContact CB-CG 3.76Å; H58-F73 HydrophobicContact CB-CZ 4.32Å
59	R	74.9	Confident	60	Low	139 Å²	139	110.6 Å²	110.6	53%	0.525	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	124.6	-174.9	-158.7	163.8	-162.2	159.1	14.8	113.8	V57 G61 Q64 E66	V57-R59 PolarHBondContact O-N 3.17Å; R59-G61 PolarHBondContact O-N 3.04Å; R59-G61 VanDerWaalsContact O-N 3.11Å; R59-Q64 PolarHBondContact NE-O 2.76Å; R59-Q64 VanDerWaalsContact NE-O 3.09Å; R59-E66 HydrophobicContact CB-CG 4.18Å; R59-E66 WeakPolarHBondContact CD-OE1 3.39Å; R59-E66 HydrophobicContact CG-CG 3.64Å; R59-E66 IonicContact CZ-OE1 3.18Å; R59-E66 IonicContact CZ-OE2 3.31Å; R59-E66 IonicContact NE-OE1 3.66Å; R59-E66 PolarHBondContact NE-OE1 3.3Å; R59-E66 IonicContact NH1-OE1 3.51Å; R59-E66 PolarHBondContact NH1-OE1 2.9Å; R59-E66 IonicContact NH2-OE1 3.96Å; R59-E66 PolarHBondContact NH2-OE1 3.42Å; R59-E66 VanDerWaalsContact NH2-OE1 3.15Å; R59-E66 IonicContact NH2-OE2 2.66Å; R59-E66 PolarHBondContact NH2-OE2 3.45Å
60	C	72.8	Confident	62	Low	9 Å²	9	105.7 Å²	105.7	6%	0.061	56%	0.558	C	S	.	*			trans	-79.1	93.4	178.7	-174.8	0	0	0	0	111.3	R62 C63 Q64 A65 F67 F73	C60-R62 PolarHBondContact O-N 2.91Å; C60-C63 PolarHBondContact O-N 3.46Å; C60-C63 VanDerWaalsContact O-N 3.07Å; C60-Q64 WeakPolarHBondContact O-CA 3.33Å; C60-Q64 PolarHBondContact O-N 3.4Å; C60-A65 PolarHBondContact N-O 3.2Å; C60-F67 HydrophobicContact CB-CE2 4.19Å; C60-F73 HydrophobicContact CB-CE2 4.23Å
61	G	64	Low	64	Low	83 Å²	83	108.9 Å²	108.9	86%	0.856	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	10.4	-177.5	0	0	0	0	0	118	R59	R59-G61 PolarHBondContact O-N 3.04Å; R59-G61 VanDerWaalsContact O-N 3.11Å
62	R	65.3	Low	65.4	Low	209 Å²	209	104.7 Å²	104.7	79%	0.789	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-23.6	174	-171.5	178.4	-171.1	176.4	2.7	113.8	C60	C60-R62 PolarHBondContact O-N 2.91Å
63	C	72.9	Confident	67.4	Low	54 Å²	54	97.8 Å²	97.8	37%	0.365	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-2.9	174.1	58.8	0	0	0	0	113.7	C60 A65 H76 C82	C60-C63 PolarHBondContact O-N 3.46Å; C60-C63 VanDerWaalsContact O-N 3.07Å; C63-A65 PolarHBondContact O-N 3.47Å; C63-A65 VanDerWaalsContact O-N 3.14Å; C63-H76 PolarHBondContact SG-NE2 2.99Å; C63-C82 VanDerWaalsContact SG-SG 3.65Å
64	Q	68.4	Low	69.1	Low	143 Å²	143	93.4 Å²	93.4	67%	0.668	49%	0.491	S	S	*	.			trans	63.2	1.7	-176.2	-58	-174.5	-1.5	0	0	116.9	R59 C60	R59-Q64 PolarHBondContact NE-O 2.76Å; R59-Q64 VanDerWaalsContact NE-O 3.09Å; C60-Q64 WeakPolarHBondContact O-CA 3.33Å; C60-Q64 PolarHBondContact O-N 3.4Å
65	A	74.9	Confident	70.4	Confident	38 Å²	38	88.6 Å²	88.6	31%	0.314	47%	0.468	S	S	.	.			trans	-57.7	140.1	172.7	0	0	0	0	0	112	C60 C63 F67	C60-A65 PolarHBondContact N-O 3.2Å; C63-A65 PolarHBondContact O-N 3.47Å; C63-A65 VanDerWaalsContact O-N 3.14Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; A65-F67 HydrophobicContact CB-CZ 4Å
66	E	79.3	Confident	71.6	Confident	106 Å²	106	84.6 Å²	84.6	50%	0.495	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.2	-179.2	-72.4	167.5	141.9	0	0	109.5	V57 R59	V57-E66 HydrophobicContact CG1-CB 3.77Å; V57-E66 HydrophobicContact CG1-CG 4Å; R59-E66 HydrophobicContact CB-CG 4.18Å; R59-E66 WeakPolarHBondContact CD-OE1 3.39Å; R59-E66 HydrophobicContact CG-CG 3.64Å; R59-E66 IonicContact CZ-OE1 3.18Å; R59-E66 IonicContact CZ-OE2 3.31Å; R59-E66 IonicContact NE-OE1 3.66Å; R59-E66 PolarHBondContact NE-OE1 3.3Å; R59-E66 IonicContact NH1-OE1 3.51Å; R59-E66 PolarHBondContact NH1-OE1 2.9Å; R59-E66 IonicContact NH2-OE1 3.96Å; R59-E66 PolarHBondContact NH2-OE1 3.42Å; R59-E66 VanDerWaalsContact NH2-OE1 3.15Å; R59-E66 IonicContact NH2-OE2 2.66Å; R59-E66 PolarHBondContact NH2-OE2 3.45Å
67	F	79.6	Confident	72.3	Confident	44 Å²	44	84.8 Å²	84.8	19%	0.193	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.6	-179.4	-59.4	-91	0	0	0	108.5	H58 C60 A65 D72 F73 H76	H58-F67 PolarHBondContact N-O 2.78Å; H58-F67 PolarHBondContact O-N 3.16Å; C60-F67 HydrophobicContact CB-CE2 4.19Å; A65-F67 HydrophobicContact CB-CE2 3.76Å; A65-F67 HydrophobicContact CB-CZ 4Å; F67-D72 HydrophobicContact CD1-CB 3.93Å; F67-F73 HydrophobicContact CB-CB 4.06Å; F67-F73 HydrophobicContact CD2-CB 4.34Å; F67-F73 HydrophobicContact CD2-CD2 4Å; F67-F73 HydrophobicContact CG-CB 4.28Å; F67-H76 HydrophobicContact CE1-CB 4.18Å; F67-H76 HydrophobicContact CE2-CB 4.28Å; F67-H76 AromaticContact CE2-CD2 3.98Å; F67-H76 AromaticContact CE2-CG 3.93Å; F67-H76 HydrophobicContact CZ-CB 3.78Å; F67-H76 AromaticContact CZ-CD2 3.96Å; F67-H76 AromaticContact CZ-CG 3.48Å; F67-H76 VanDerWaalsContact CZ-CG 3.48Å; F67-H76 AromaticContact CZ-ND1 3.55Å
68	T	71.1	Confident	72.6	Confident	100 Å²	100	87 Å²	87	61%	0.613	45%	0.449	S	S	*	.	S	Bend	trans	-80.3	-19.4	173.6	48	0	0	0	0	112.5	V57	V57-T68 HydrophobicContact CG2-CG2 4.43Å
69	A	73.1	Confident	72.1	Confident	36 Å²	36	91.4 Å²	91.4	30%	0.298	47%	0.47	S	S	.	.			trans	-104.2	129	176.4	0	0	0	0	0	112.3	E71 D72 F73	A69-E71 VanDerWaalsContact C-N 3.3Å; A69-E71 PolarHBondContact O-N 2.85Å; A69-D72 HydrophobicContact CB-CB 4.31Å; A69-D72 PolarHBondContact O-N 2.82Å; A69-F73 PolarHBondContact O-N 2.87Å; A69-F73 VanDerWaalsContact O-N 3.13Å
70	L	71.6	Confident	71.2	Confident	101 Å²	101	93.2 Å²	93.2	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-60.9	-36.7	175.5	-178.1	57.4	0	0	0	113.1	F73 V74	L70-F73 HydrophobicContact CD1-CD1 4.08Å; L70-F73 PolarHBondContact O-N 3.1Å; L70-V74 HydrophobicContact CD1-CG2 4.21Å; L70-V74 WeakPolarHBondContact O-CB 3.37Å; L70-V74 VanDerWaalsContact O-CG2 3.28Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 2.56Å
71	E	73.3	Confident	70	Confident	168 Å²	168	96.1 Å²	96.1	79%	0.785	51%	0.506	S	S	*	.	H	α-helix	trans	-67.6	-39.9	179.1	-66.4	-171.3	109.9	0	0	111.9	A69 V74 Q75	A69-E71 VanDerWaalsContact C-N 3.3Å; A69-E71 PolarHBondContact O-N 2.85Å; E71-V74 PolarHBondContact O-N 3.2Å; E71-Q75 VanDerWaalsContact O-CB 3.28Å; E71-Q75 WeakPolarHBondContact O-CB 3.4Å; E71-Q75 PolarHBondContact O-N 3.11Å
72	D	71.9	Confident	69.4	Low	99 Å²	99	93.1 Å²	93.1	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-66.8	-39.8	174.2	-76.3	-37.7	0	0	0	112.2	F67 A69 V74 Q75 H76	F67-D72 HydrophobicContact CD1-CB 3.93Å; A69-D72 HydrophobicContact CB-CB 4.31Å; A69-D72 PolarHBondContact O-N 2.82Å; D72-V74 VanDerWaalsContact C-N 3.31Å; D72-V74 PolarHBondContact O-N 3.3Å; D72-Q75 PolarHBondContact O-N 2.95Å; D72-H76 WeakPolarHBondContact O-CB 3.23Å; D72-H76 PolarHBondContact O-N 3.48Å
73	F	77.9	Confident	68.7	Low	28 Å²	28	91.2 Å²	91.2	12%	0.123	47%	0.472	C	S	.	.	H	α-helix	trans	-61.2	-38.9	173.4	176.2	-117.1	0	0	0	112.6	H58 C60 F67 A69 L70 K77	H58-F73 HydrophobicContact CB-CB 4.09Å; H58-F73 HydrophobicContact CB-CD1 3.95Å; H58-F73 HydrophobicContact CB-CD2 3.94Å; H58-F73 HydrophobicContact CB-CE1 4.2Å; H58-F73 HydrophobicContact CB-CE2 4.22Å; H58-F73 HydrophobicContact CB-CG 3.76Å; H58-F73 HydrophobicContact CB-CZ 4.32Å; C60-F73 HydrophobicContact CB-CE2 4.23Å; F67-F73 HydrophobicContact CB-CB 4.06Å; F67-F73 HydrophobicContact CD2-CB 4.34Å; F67-F73 HydrophobicContact CD2-CD2 4Å; F67-F73 HydrophobicContact CG-CB 4.28Å; A69-F73 PolarHBondContact O-N 2.87Å; A69-F73 VanDerWaalsContact O-N 3.13Å; L70-F73 HydrophobicContact CD1-CD1 4.08Å; L70-F73 PolarHBondContact O-N 3.1Å; F73-K77 HydrophobicContact CE1-CD 4.46Å; F73-K77 HydrophobicContact CZ-CD 4.49Å; F73-K77 VanDerWaalsContact CZ-CE 3.46Å; F73-K77 WeakPolarHBondContact O-CG 3.46Å; F73-K77 PolarHBondContact O-N 3.08Å
74	V	73.9	Confident	66.9	Low	65 Å²	65	100 Å²	100	39%	0.394	50%	0.497	S	S	.	.	H	α-helix	trans	-70.3	-44.8	175.1	167	0	0	0	0	110.7	L70 E71 D72 H76 K77 I78	L70-V74 HydrophobicContact CD1-CG2 4.21Å; L70-V74 WeakPolarHBondContact O-CB 3.37Å; L70-V74 VanDerWaalsContact O-CG2 3.28Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 2.56Å; E71-V74 PolarHBondContact O-N 3.2Å; D72-V74 VanDerWaalsContact C-N 3.31Å; D72-V74 PolarHBondContact O-N 3.3Å; V74-H76 PolarHBondContact O-N 3.31Å; V74-K77 WeakPolarHBondContact O-CB 3.31Å; V74-K77 PolarHBondContact O-N 3.36Å; V74-K77 VanDerWaalsContact O-N 3.15Å; V74-I78 HydrophobicContact CG1-CD1 3.6Å; V74-I78 HydrophobicContact CG1-CG1 4.38Å; V74-I78 WeakPolarHBondContact O-CG1 3.24Å; V74-I78 PolarHBondContact O-N 3.01Å
75	Q	73.2	Confident	65.1	Low	93 Å²	93	97.4 Å²	97.4	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-43.2	179.2	-158.6	75.5	-66.2	0	0	111.5	E71 D72 K77 I78 Q79	E71-Q75 VanDerWaalsContact O-CB 3.28Å; E71-Q75 WeakPolarHBondContact O-CB 3.4Å; E71-Q75 PolarHBondContact O-N 3.11Å; D72-Q75 PolarHBondContact O-N 2.95Å; Q75-K77 VanDerWaalsContact C-N 3.29Å; Q75-K77 PolarHBondContact O-N 2.84Å; Q75-I78 PolarHBondContact O-N 3.31Å; Q75-I78 VanDerWaalsContact O-N 3.16Å; Q75-Q79 HydrophobicContact CG-CG 4.37Å; Q75-Q79 WeakPolarHBondContact O-CG 3.23Å; Q75-Q79 PolarHBondContact O-N 3.42Å
76	H	76.6	Confident	63.4	Low	37 Å²	37	101.2 Å²	101.2	17%	0.171	52%	0.522	C	S	.	.	H	α-helix	trans	-58	-37.2	173.4	178.6	83.4	0	0	0	112.9	C63 F67 D72 V74	C63-H76 PolarHBondContact SG-NE2 2.99Å; F67-H76 HydrophobicContact CE1-CB 4.18Å; F67-H76 HydrophobicContact CE2-CB 4.28Å; F67-H76 AromaticContact CE2-CD2 3.98Å; F67-H76 AromaticContact CE2-CG 3.93Å; F67-H76 HydrophobicContact CZ-CB 3.78Å; F67-H76 AromaticContact CZ-CD2 3.96Å; F67-H76 AromaticContact CZ-CG 3.48Å; F67-H76 VanDerWaalsContact CZ-CG 3.48Å; F67-H76 AromaticContact CZ-ND1 3.55Å; D72-H76 WeakPolarHBondContact O-CB 3.23Å; D72-H76 PolarHBondContact O-N 3.48Å; V74-H76 PolarHBondContact O-N 3.31Å
77	K	68.3	Low	61.3	Low	124 Å²	124	105.6 Å²	105.6	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-71.7	-41.4	173.7	-80.3	172.8	172.8	171.3	0	112.8	F73 V74 Q75	F73-K77 HydrophobicContact CE1-CD 4.46Å; F73-K77 HydrophobicContact CZ-CD 4.49Å; F73-K77 VanDerWaalsContact CZ-CE 3.46Å; F73-K77 WeakPolarHBondContact O-CG 3.46Å; F73-K77 PolarHBondContact O-N 3.08Å; V74-K77 WeakPolarHBondContact O-CB 3.31Å; V74-K77 PolarHBondContact O-N 3.36Å; V74-K77 VanDerWaalsContact O-N 3.15Å; Q75-K77 VanDerWaalsContact C-N 3.29Å; Q75-K77 PolarHBondContact O-N 2.84Å
78	I	69.9	Low	59.1	Low	115 Å²	115	112 Å²	112	59%	0.59	57%	0.573	S	S	*	*	H	α-helix	trans	-69.6	-44.7	-175.7	-71.6	170.2	0	0	0	111.4	V74 Q75 K80	V74-I78 HydrophobicContact CG1-CD1 3.6Å; V74-I78 HydrophobicContact CG1-CG1 4.38Å; V74-I78 WeakPolarHBondContact O-CG1 3.24Å; V74-I78 PolarHBondContact O-N 3.01Å; Q75-I78 PolarHBondContact O-N 3.31Å; Q75-I78 VanDerWaalsContact O-N 3.16Å; I78-K80 PolarHBondContact O-N 3.39Å; I78-K80 VanDerWaalsContact O-N 3.12Å
79	Q	62.1	Low	57.1	Low	128 Å²	128	112.1 Å²	112.1	60%	0.598	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	9.5	-168.8	-65.9	-179.9	-10	0	0	115	Q75 A81	Q75-Q79 HydrophobicContact CG-CG 4.37Å; Q75-Q79 WeakPolarHBondContact O-CG 3.23Å; Q75-Q79 PolarHBondContact O-N 3.42Å; Q79-A81 PolarHBondContact O-N 3.38Å
80	K	54.6	Low	55.1	Low	178 Å²	178	117.5 Å²	117.5	77%	0.774	61%	0.607	S	S	*	*			trans	55.6	13.5	179.6	-67.2	-178	178	173.9	0	116	I78 C82	I78-K80 PolarHBondContact O-N 3.39Å; I78-K80 VanDerWaalsContact O-N 3.12Å; K80-C82 PolarHBondContact O-N 3.41Å; K80-C82 VanDerWaalsContact O-N 3.12Å
81	A	48.7	Very low	53.9	Low	69 Å²	69	118.3 Å²	118.3	57%	0.57	62%	0.619	S	S	*	*			trans	-62.5	-19.6	179.8	0	0	0	0	0	113.7	Q79 Q83	Q79-A81 PolarHBondContact O-N 3.38Å; A81-Q83 PolarHBondContact O-N 3.23Å
82	C	51.3	Low	51.6	Low	21 Å²	21	115.1 Å²	115.1	14%	0.142	62%	0.622	C	S	.	*			trans	-72.3	68	177.7	-165.3	0	0	0	0	113	C63 K80	C63-C82 VanDerWaalsContact SG-SG 3.65Å; K80-C82 PolarHBondContact O-N 3.41Å; K80-C82 VanDerWaalsContact O-N 3.12Å
83	Q	49.9	Very low	49.3	Very low	168 Å²	168	116.8 Å²	116.8	79%	0.785	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-92.8	153.5	165.6	-60.7	-164.5	45.1	0	0	110.6	A81	A81-Q83 PolarHBondContact O-N 3.23Å
84	R	36.3	Very low	47.7	Very low	238 Å²	238	120.9 Å²	120.9	90%	0.898	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-82.9	117.6	179.7	-173.4	-177.6	-167.3	169.5	4.4	109.1	P86	R84-P86 WeakPolarHBondContact O-CD 3.28Å
85	A	30.2	Very low	45.4	Very low	89 Å²	89	122 Å²	122	74%	0.736	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-60.3	126.9	174.5	0	0	0	0	0	111.2
86	P	38.9	Very low	43.2	Very low	119 Å²	119	123.1 Å²	123.1	77%	0.773	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-69.4	154.6	157	-10.4	28.1	0	0	0	109.6	R84	R84-P86 WeakPolarHBondContact O-CD 3.28Å
87	Q	34.9	Very low	40.9	Very low	198 Å²	198	127.3 Å²	127.3	93%	0.925	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-73.4	155.9	170.5	-70.6	178.2	-62.6	0	0	111.1
88	E	33.8	Very low	38.9	Very low	177 Å²	177	125.3 Å²	125.3	83%	0.827	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-74.2	143.7	-162.7	-61.7	171.7	91.4	0	0	115.4
89	A	27.7	Very low	36.9	Very low	104 Å²	104	126.8 Å²	126.8	86%	0.86	74%	0.737	S	S	*	*			trans	-150.5	125.2	140.7	0	0	0	0	0	109.3
90	L	31.6	Very low	35.2	Very low	148 Å²	148	128.7 Å²	128.7	78%	0.775	75%	0.751	S	S	*	*			trans	-101.6	175.7	-179	-76.6	170	0	0	0	110.7
91	P	46.8	Very low	33.8	Very low	118 Å²	118	123.6 Å²	123.6	77%	0.766	75%	0.749	S	S	*	*			cis	-134	167	-31.1	33.4	-17	0	0	0	113.8
92	A	25.6	Very low	32.7	Very low	102 Å²	102	129.2 Å²	129.2	84%	0.843	76%	0.763	S	S	*	*			trans	-165.8	147.1	142.9	0	0	0	0	0	112.2
93	T	24.1	Very low	31.5	Very low	133 Å²	133	136 Å²	136	82%	0.816	79%	0.793	S	S	*	*			trans	-140.7	174.9	-178.9	56.4	0	0	0	0	109.1
94	P	42.7	Very low	30.3	Very low	115 Å²	115	133.7 Å²	133.7	75%	0.747	79%	0.79	S	S	*	*			cis	-133.7	-170.1	-12.7	31.6	-9.4	0	0	0	114.1
95	A	25.3	Very low	30.3	Very low	87 Å²	87	129.4 Å²	129.4	72%	0.719	79%	0.79	S	S	*	*			trans	74.2	160	146.9	0	0	0	0	0	118.5
96	T	27.4	Very low	30.4	Very low	118 Å²	118	127.3 Å²	127.3	72%	0.724	77%	0.769	S	S	*	*			cis	-156.4	150.5	4.3	-20.8	0	0	0	0	111.1
97	T	28.8	Very low	29.8	Very low	125 Å²	125	125.2 Å²	125.2	77%	0.767	76%	0.761	S	S	*	*			trans	55.1	137	156.3	38.8	0	0	0	0	119.6
98	A	27.1	Very low	29.5	Very low	82 Å²	82	119 Å²	119	68%	0.678	74%	0.744	S	S	*	*				64.8	145.1	62.8	0	0	0	0	0	113.2
99	L	26.8	Very low	29.5	Very low	146 Å²	146	116.8 Å²	116.8	76%	0.764	75%	0.745	S	S	*	*			cis	-166	149.7	0.2	-128.2	169.9	0	0	0	108.3
100	L	26.6	Very low	29.4	Very low	168 Å²	168	115 Å²	115	88%	0.88	74%	0.737	S	S	*	*			trans	64.5	164.5	171.8	-47.3	175.6	0	0	0	115.4
101	G	25.1	Very low	29.7	Very low	71 Å²	71	113.2 Å²	113.2	73%	0.732	73%	0.734	S	S	*	*			cis	169.1	154.9	-15.5	0	0	0	0	0	114.6
102	Q	26.3	Very low	28.8	Very low	186 Å²	186	116 Å²	116	87%	0.869	74%	0.737	S	S	*	*			trans	74.8	175.3	159	-127.8	160.9	6.2	0	0	121
103	E	26.1	Very low	29	Very low	164 Å²	164	118.6 Å²	118.6	77%	0.766	73%	0.731	S	S	*	*			trans	-82.2	174.9	-161.4	-66.5	163.7	89.4	0	0	112
104	V	24.8	Very low	29.4	Very low	120 Å²	120	117.6 Å²	117.6	73%	0.727	73%	0.727	S	S	*	*			cis	-151.7	136.2	42.7	175.2	0	0	0	0	111.2	P106	V104-P106 HydrophobicContact CG1-CG 3.91Å
105	V	35.9	Very low	28.6	Very low	148 Å²	148	119.6 Å²	119.6	90%	0.897	73%	0.73	S	S	*	*			trans	-99.4	123.8	169.5	167.3	0	0	0	0	111.2
106	P	33	Very low	28.6	Very low	45 Å²	45	121.2 Å²	121.2	29%	0.292	73%	0.731	S	S	.	*			trans	-148	169.5	150.1	11.2	13.6	0	0	0	115.4	V104 L405 A406	V104-P106 HydrophobicContact CG1-CG 3.91Å; P106-L405 VanDerWaalsContact CB-C 3.4Å; P106-L405 HydrophobicContact CB-CD2 4.25Å; P106-A406 HydrophobicContact CB-CB 3.71Å; P106-A406 VanDerWaalsContact CD-CB 3.48Å; P106-A406 HydrophobicContact CG-CB 3.57Å; P106-A406 WeakPolarHBondContact O-CB 3.17Å
107	A	24.6	Very low	28.8	Very low	74 Å²	74	121.5 Å²	121.5	61%	0.612	73%	0.732	S	S	*	*			trans	178.8	146.5	159	0	0	0	0	0	114.9	L405	A107-L405 WeakPolarHBondContact O-CD2 3.24Å
108	A	30.4	Very low	28.6	Very low	69 Å²	69	120.4 Å²	120.4	57%	0.57	74%	0.736	S	S	*	*			trans	-174.8	160.8	161.9	0	0	0	0	0	112.8	L405	A108-L405 HydrophobicContact CB-CD1 3.52Å; A108-L405 HydrophobicContact CB-CD2 4.49Å; A108-L405 HydrophobicContact CB-CG 4.01Å
109	P	32	Very low	28.7	Very low	130 Å²	130	124.1 Å²	124.1	84%	0.844	74%	0.739	S	S	*	*				-139.5	174.2	91.1	40.6	-28.5	0	0	0	115.4
110	G	27.3	Very low	28.6	Very low	66 Å²	66	124.5 Å²	124.5	68%	0.68	74%	0.74	S	S	*	*			trans	-85	-148.7	173.3	0	0	0	0	0	113.5
111	P	37.6	Very low	28.9	Very low	111 Å²	111	121.6 Å²	121.6	72%	0.721	73%	0.729	S	S	*	*			cis	-109.3	-158.9	18.4	41.9	-30.1	0	0	0	112.2
112	E	27.7	Very low	29	Very low	177 Å²	177	124.8 Å²	124.8	83%	0.827	73%	0.734	S	S	*	*			cis	-155	-176.8	8.8	-149	132.3	-105.5	0	0	112.6
113	E	29.7	Very low	29	Very low	156 Å²	156	124.5 Å²	124.5	73%	0.729	73%	0.733	S	S	*	*			trans	-125.4	173.5	174.8	-114.4	179.7	-148.4	0	0	108.9
114	P	32.8	Very low	29.6	Very low	111 Å²	111	121.5 Å²	121.5	72%	0.721	74%	0.736	S	S	*	*			cis	-137.3	-166.5	40.4	32.7	-6	0	0	0	112.6
115	I	25.1	Very low	30	Very low	158 Å²	158	120.8 Å²	120.8	81%	0.81	74%	0.743	S	S	*	*			cis	-142.5	146.9	24.8	-60.7	166.6	0	0	0	110.6
116	T	26.2	Very low	29.8	Very low	120 Å²	120	119.4 Å²	119.4	74%	0.736	74%	0.739	S	S	*	*			trans	-92.3	165.6	-177.9	46.6	0	0	0	0	115.2
117	V	31.5	Very low	29.5	Very low	124 Å²	124	125.6 Å²	125.6	75%	0.752	77%	0.769	S	S	*	*			trans	-86	153.1	-176.1	173.3	0	0	0	0	112.2
118	A	24.6	Very low	29.7	Very low	102 Å²	102	126.4 Å²	126.4	84%	0.843	78%	0.776	S	S	*	*			trans	-119.6	147.9	154.6	0	0	0	0	0	110.9
119	H	28.5	Very low	29.8	Very low	160 Å²	160	126.9 Å²	126.9	74%	0.741	78%	0.78	S	S	*	*			trans	-111.5	155	-174.6	-110.6	-116.9	0	0	0	111.4
120	I	24	Very low	29.7	Very low	154 Å²	154	128.2 Å²	128.2	79%	0.79	78%	0.78	S	S	*	*			trans	-130	138	154.7	-61.5	-179.1	0	0	0	108.3
121	V	34.5	Very low	29.7	Very low	108 Å²	108	133 Å²	133	66%	0.655	79%	0.788	S	S	*	*			trans	-127.4	145.4	173.2	176.1	0	0	0	0	107.5	E123	V121-E123 HydrophobicContact CG1-CG 4.5Å
122	V	25.6	Very low	29.4	Very low	137 Å²	137	131.9 Å²	131.9	83%	0.83	78%	0.783	S	S	*	*			trans	-130.4	134.6	162.3	-177.9	0	0	0	0	107.7
123	E	27.7	Very low	29.4	Very low	181 Å²	181	132.2 Å²	132.2	85%	0.846	78%	0.784	S	S	*	*			trans	-90.8	174.7	-168.2	-59.6	-176.8	113.3	0	0	113.3	V121	V121-E123 HydrophobicContact CG1-CG 4.5Å
124	A	38.2	Very low	29.1	Very low	100 Å²	100	129.2 Å²	129.2	83%	0.826	79%	0.785	S	S	*	*			trans	-104.1	142.4	169.9	0	0	0	0	0	110.6
125	A	32.7	Very low	30.2	Very low	106 Å²	106	129.2 Å²	129.2	88%	0.876	79%	0.786	S	S	*	*			trans	-114.3	126.6	171.8	0	0	0	0	0	111.1
126	S	31.2	Very low	30.4	Very low	118 Å²	118	129 Å²	129	83%	0.825	79%	0.786	S	S	*	*			trans	-58.9	160.1	-177.4	-48.4	0	0	0	0	115.5
127	L	27.6	Very low	30.6	Very low	176 Å²	176	131.1 Å²	131.1	92%	0.921	79%	0.792	S	S	*	*				-156.4	154.1	126.9	-107.8	170.8	0	0	0	111.3
128	A	28.2	Very low	31.3	Very low	91 Å²	91	132.3 Å²	132.3	75%	0.752	80%	0.799	S	S	*	*			trans	-134.7	173.6	173.8	0	0	0	0	0	107.5
129	A	33.9	Very low	31.4	Very low	78 Å²	78	130.1 Å²	130.1	65%	0.645	79%	0.786	S	S	*	*			cis	-149.3	-162.4	4.2	0	0	0	0	0	109.5
130	D	29.9	Very low	31.8	Very low	159 Å²	159	125 Å²	125	85%	0.85	78%	0.777	S	S	*	*			trans	67.5	159.1	167.7	-52.3	-32.4	0	0	0	115.3
131	I	27.4	Very low	32.1	Very low	166 Å²	166	120.1 Å²	120.1	85%	0.851	77%	0.765	S	S	*	*			cis	-132.2	160.9	25.1	-72.2	166.9	0	0	0	111.6
132	S	29.4	Very low	32.5	Very low	87 Å²	87	123 Å²	123	61%	0.608	77%	0.771	S	S	*	*			trans	-96.1	169.2	177.2	54	0	0	0	0	114.4
133	H	28.1	Very low	33	Very low	185 Å²	185	122.2 Å²	122.2	86%	0.856	76%	0.761	S	S	*	*			trans	71.3	174.3	175.8	-56.9	-80.3	0	0	0	116.8
134	A	24.9	Very low	33.8	Very low	92 Å²	92	121.8 Å²	121.8	76%	0.76	76%	0.756	S	S	*	*			trans	-141.2	-172	-169	0	0	0	0	0	108.1
135	P	55.7	Low	33.6	Very low	112 Å²	112	123.5 Å²	123.5	73%	0.727	75%	0.747	S	S	*	*			cis	-122.9	144.6	-21.1	35.6	-22.3	0	0	0	112.1
136	D	28.5	Very low	33.7	Very low	153 Å²	153	123.8 Å²	123.8	82%	0.818	74%	0.737	S	S	*	*			trans	-174.2	159.2	139.9	-118.9	-36.3	0	0	0	114.2
137	L	31.3	Very low	33.7	Very low	165 Å²	165	126.2 Å²	126.2	86%	0.864	74%	0.739	S	S	*	*			trans	150.4	116.5	137	-83.5	171.5	0	0	0	112.8	G139	L137-G139 PolarHBondContact O-N 2.81Å
138	V	45.2	Very low	33.9	Very low	149 Å²	149	123.8 Å²	123.8	90%	0.903	73%	0.732	S	S	*	*			trans	-67.7	116.3	172.7	174	0	0	0	0	110.2
139	G	27.3	Very low	33.8	Very low	55 Å²	55	122.6 Å²	122.6	57%	0.567	73%	0.728	S	S	*	*			trans	-115.3	29.9	-162.2	0	0	0	0	0	118.1	L137 K188	L137-G139 PolarHBondContact O-N 2.81Å; G139-K188 PolarHBondContact O-NZ 2.94Å
140	G	37.4	Very low	33.5	Very low	52 Å²	52	123.9 Å²	123.9	54%	0.536	74%	0.739	S	S	.	*			trans	62.7	60.8	164.7	0	0	0	0	0	116.7
141	G	29.3	Very low	33.4	Very low	52 Å²	52	125.8 Å²	125.8	54%	0.536	74%	0.743	S	S	.	*			trans	-80.1	126.1	166.6	0	0	0	0	0	111.3	I143	G141-I143 PolarHBondContact O-N 3.35Å
142	H	42.3	Very low	33.5	Very low	170 Å²	170	122.5 Å²	122.5	79%	0.787	74%	0.74	S	S	*	*			trans	-76.7	107.6	179.4	-74.5	59.1	0	0	0	110.5	K144	H142-K144 PolarHBondContact O-N 2.79Å
143	I	37.2	Very low	33.5	Very low	120 Å²	120	126.9 Å²	126.9	62%	0.615	75%	0.751	S	S	*	*			trans	-74.8	114.7	174.6	-55.5	175.1	0	0	0	108.4	G141 E145	G141-I143 PolarHBondContact O-N 3.35Å; I143-E145 HydrophobicContact CG2-CG 4.03Å
144	K	45	Very low	34	Very low	172 Å²	172	123.8 Å²	123.8	75%	0.748	75%	0.747	S	S	*	*			trans	-98.4	107.2	162.3	-81.2	-167.7	171.8	-173.2	0	108.9	H142	H142-K144 PolarHBondContact O-N 2.79Å
145	E	32.3	Very low	34.3	Very low	136 Å²	136	122.5 Å²	122.5	64%	0.636	74%	0.743	S	S	*	*			trans	-71.7	129.7	167	-60.5	-169.8	150.7	0	0	108.5	I143 K183	I143-E145 HydrophobicContact CG2-CG 4.03Å; E145-K183 WeakPolarHBondContact OE1-CE 3.49Å; E145-K183 IonicContact OE1-NZ 2.77Å; E145-K183 PolarHBondContact OE1-NZ 3.18Å
146	V	34.9	Very low	32.9	Very low	111 Å²	111	124.7 Å²	124.7	67%	0.673	75%	0.748	S	S	*	*			trans	-136.5	102.4	179.2	-177.1	0	0	0	0	107.6	V148	V146-V148 HydrophobicContact CG1-CG2 4.06Å
147	I	32.9	Very low	33.1	Very low	169 Å²	169	122.4 Å²	122.4	87%	0.867	74%	0.744	S	S	*	*			trans	-79.9	131.1	173.1	-56.2	173.5	0	0	0	107.6
148	V	29.9	Very low	33.2	Very low	126 Å²	126	122.4 Å²	122.4	76%	0.764	74%	0.74	S	S	*	*			trans	-133.7	112.6	170	-174.8	0	0	0	0	106.9	V146	V146-V148 HydrophobicContact CG1-CG2 4.06Å
149	G	27.6	Very low	32.5	Very low	65 Å²	65	122.5 Å²	122.5	67%	0.67	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-68.2	160.6	173.2	0	0	0	0	0	111.6
150	A	27.3	Very low	32.6	Very low	106 Å²	106	124.5 Å²	124.5	88%	0.876	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-96.3	117.7	166.4	0	0	0	0	0	108.2
151	E	26.9	Very low	32.1	Very low	199 Å²	199	131 Å²	131	93%	0.93	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-77.7	143.5	166.7	-64.4	-178.5	141.3	0	0	108.9
152	A	31.1	Very low	32.3	Very low	96 Å²	96	132.5 Å²	132.5	79%	0.793	77%	0.767	S	S	*	*			trans	-112.9	128.5	178.2	0	0	0	0	0	109.1
153	E	29.3	Very low	32.3	Very low	179 Å²	179	130.7 Å²	130.7	84%	0.836	77%	0.771	S	S	*	*			trans	-71.3	143.9	172.2	-69	-67.9	147.1	0	0	110.4
154	P	38.3	Very low	31.7	Very low	120 Å²	120	128.5 Å²	128.5	78%	0.779	78%	0.778	S	S	*	*			trans	-76.8	176.7	178.9	34	-36.5	0	0	0	112.4
155	G	30.4	Very low	30.9	Very low	65 Å²	65	126.1 Å²	126.1	67%	0.67	78%	0.783	S	S	*	*			trans	-156	-165.6	175.6	0	0	0	0	0	113
156	D	26.2	Very low	31.4	Very low	158 Å²	158	124.3 Å²	124.3	85%	0.845	78%	0.783	S	S	*	*			trans	-124	139.8	-180	-54.2	-74.8	0	0	0	108.4
157	S	32.5	Very low	31.1	Very low	105 Å²	105	126.8 Å²	126.8	73%	0.734	79%	0.787	S	S	*	*			cis	68.3	127.5	46.8	-58.7	0	0	0	0	112
158	E	33.3	Very low	31.1	Very low	166 Å²	166	127.1 Å²	127.1	78%	0.776	78%	0.784	S	S	*	*			cis	-161	172.5	-2.3	-97.7	-166.2	113.1	0	0	106.8
159	M	30.8	Very low	31.1	Very low	151 Å²	151	129.1 Å²	129.1	74%	0.744	79%	0.786	S	S	*	*			cis	-165.4	151.4	-4.5	-120.2	-68.1	-172.3	0	0	108.7
160	A	29.5	Very low	31	Very low	97 Å²	97	129.4 Å²	129.4	80%	0.802	79%	0.789	S	S	*	*			trans	176.6	125	151	0	0	0	0	0	114.7
161	E	27.6	Very low	31.1	Very low	188 Å²	188	133.4 Å²	133.4	88%	0.879	79%	0.794	S	S	*	*			trans	-102	-176.8	158	-58.7	-165.3	116.3	0	0	109.5
162	A	33.1	Very low	30.9	Very low	84 Å²	84	127.3 Å²	127.3	69%	0.694	79%	0.785	S	S	*	*			cis	-162.3	-161.6	19.6	0	0	0	0	0	109.8
163	P	42.5	Very low	30.8	Very low	132 Å²	132	131.4 Å²	131.4	86%	0.857	79%	0.793	S	S	*	*				-126.9	169.1	-70.1	35.9	-20.4	0	0	0	114.4
164	G	25.2	Very low	30.7	Very low	74 Å²	74	127.5 Å²	127.5	76%	0.763	79%	0.791	S	S	*	*			trans	-166.6	142.4	168.9	0	0	0	0	0	112.8
165	S	28.1	Very low	30.1	Very low	122 Å²	122	125.7 Å²	125.7	85%	0.853	79%	0.794	S	S	*	*			trans	-167.4	172.2	-168.9	-112.4	0	0	0	0	111.8
166	P	42.8	Very low	30	Very low	98 Å²	98	131.1 Å²	131.1	64%	0.636	80%	0.802	S	S	*	*			cis	-136.7	-161.6	-8.7	37.2	-16	0	0	0	114.3
167	H	28.6	Very low	30.3	Very low	163 Å²	163	127.4 Å²	127.4	76%	0.755	80%	0.801	S	S	*	*			trans	78.4	146	171.4	-64.2	-57	0	0	0	117.3
168	Q	32	Very low	30	Very low	175 Å²	175	130.6 Å²	130.6	82%	0.818	80%	0.804	S	S	*	*			cis	-135.3	170	15.4	-149.4	166.5	61.3	0	0	113.4
169	Q	30.9	Very low	30	Very low	169 Å²	169	128.3 Å²	128.3	79%	0.79	80%	0.803	S	S	*	*			trans	-73.5	162.2	177	-60.6	121.9	-55.3	0	0	112.1
170	G	25.2	Very low	30.1	Very low	71 Å²	71	125 Å²	125	73%	0.732	80%	0.801	S	S	*	*			cis	142.2	104.4	-5.7	0	0	0	0	0	113.2
171	L	28.9	Very low	30.4	Very low	189 Å²	189	128.4 Å²	128.4	99%	0.99	80%	0.8	S	S	*	*			trans	-142.5	137	163.1	-80.3	179.4	0	0	0	108.3
172	G	23.8	Very low	31.3	Very low	72 Å²	72	122.9 Å²	122.9	74%	0.742	78%	0.779	S	S	*	*			trans	-144.2	139.9	-178	0	0	0	0	0	112.9
173	L	27.2	Very low	32.2	Very low	182 Å²	182	125.3 Å²	125.3	95%	0.953	77%	0.774	S	S	*	*			trans	-135.4	102.2	158.2	-75.9	179.6	0	0	0	107.6
174	A	27.4	Very low	33.1	Very low	97 Å²	97	121.6 Å²	121.6	80%	0.802	75%	0.746	S	S	*	*			trans	-84.1	119.1	169.8	0	0	0	0	0	108.9
175	G	25.3	Very low	34.9	Very low	81 Å²	81	122.3 Å²	122.3	84%	0.835	73%	0.732	S	S	*	*			trans	-97	100.9	163.7	0	0	0	0	0	108.5
176	E	29.4	Very low	37.2	Very low	179 Å²	179	118.2 Å²	118.2	84%	0.836	70%	0.702	S	S	*	*			trans	-68.9	153.8	-176.8	-61.5	-173.3	115.9	0	0	112.1	E178	E176-E178 PolarHBondContact O-N 2.86Å
177	G	31.6	Very low	38.8	Very low	80 Å²	80	116.7 Å²	116.7	83%	0.825	69%	0.688	S	S	*	*			trans	-74.4	93.8	-173.4	0	0	0	0	0	113.2
178	E	27.3	Very low	40.7	Very low	173 Å²	173	117.4 Å²	117.4	81%	0.808	69%	0.689	S	S	*	*			trans	-53.5	130.7	171.6	-79.3	-157.4	106.6	0	0	111.9	E176 A180	E176-E178 PolarHBondContact O-N 2.86Å; E178-A180 PolarHBondContact O-N 3.17Å
179	P	32.8	Very low	42.7	Very low	117 Å²	117	114.7 Å²	114.7	76%	0.76	68%	0.681	S	S	*	*			trans	-72.5	91.8	172.9	30	-33.6	0	0	0	109.7	Q181	P179-Q181 PolarHBondContact O-N 3.31Å
180	A	32.8	Very low	44.9	Very low	83 Å²	83	109 Å²	109	69%	0.686	67%	0.667	S	S	*	*			trans	-43.2	111.1	-174.4	0	0	0	0	0	113.5	E178 V182	E178-A180 PolarHBondContact O-N 3.17Å; A180-V182 VanDerWaalsContact C-N 3.31Å; A180-V182 PolarHBondContact O-N 3.01Å
181	Q	36	Very low	47.6	Very low	167 Å²	167	111.6 Å²	111.6	78%	0.78	66%	0.655	S	S	*	*			trans	-74.3	78.5	-176.7	-62.8	-174.7	12.9	0	0	111.3	P179 K183	P179-Q181 PolarHBondContact O-N 3.31Å; Q181-K183 PolarHBondContact O-N 3.21Å
182	V	47.2	Very low	50.2	Low	72 Å²	72	106 Å²	106	44%	0.436	62%	0.621	S	S	.	*			trans	-70.5	95.5	179.1	-173.7	0	0	0	0	110.4	A180 L184 M211	A180-V182 VanDerWaalsContact C-N 3.31Å; A180-V182 PolarHBondContact O-N 3.01Å; V182-L184 HydrophobicContact CG1-CD2 3.91Å; V182-L184 PolarHBondContact O-N 3.47Å; V182-M211 HydrophobicContact CG1-CE 3.72Å; V182-M211 HydrophobicContact CG1-SD 3.81Å
183	K	51.6	Low	52.7	Low	135 Å²	135	102.9 Å²	102.9	59%	0.587	59%	0.588	S	S	*	*			trans	-61.2	105.1	170.5	-66.4	-168.2	176.7	-153	0	109.8	E145 Q181 L185	E145-K183 WeakPolarHBondContact OE1-CE 3.49Å; E145-K183 IonicContact OE1-NZ 2.77Å; E145-K183 PolarHBondContact OE1-NZ 3.18Å; Q181-K183 PolarHBondContact O-N 3.21Å; K183-L185 PolarHBondContact O-N 3.26Å
184	L	61.7	Low	55.3	Low	54 Å²	54	94.2 Å²	94.2	28%	0.283	54%	0.542	S	S	.	.			trans	-79.4	116.5	-178.2	-60.1	179.3	0	0	0	110.1	V182 Y192 L207	V182-L184 HydrophobicContact CG1-CD2 3.91Å; V182-L184 PolarHBondContact O-N 3.47Å; L184-Y192 HydrophobicContact CB-CD1 4.24Å; L184-Y192 HydrophobicContact CD1-CD1 4.16Å; L184-Y192 HydrophobicContact CD1-CE1 4.15Å; L184-L207 HydrophobicContact CD2-CD2 3.89Å; L184-L207 HydrophobicContact CD2-CG 4.33Å
185	L	63.3	Low	57.4	Low	89 Å²	89	92.7 Å²	92.7	47%	0.466	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.6	175.6	-160.7	74	0	0	0	110.2	K183 Y192 V193	K183-L185 PolarHBondContact O-N 3.26Å; L185-Y192 CarbonylContact O-C 3.53Å; L185-Y192 WeakPolarHBondContact O-CA 3.45Å; L185-V193 HydrophobicContact CD2-CB 4.42Å; L185-V193 PolarHBondContact O-N 3.12Å
186	V	75.9	Confident	59.5	Low	36 Å²	36	94.4 Å²	94.4	22%	0.218	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.3	178.9	-175.1	0	0	0	0	109.5	R191 Y192	V186-R191 WeakPolarHBondContact CA-O 3.25Å; V186-Y192 HydrophobicContact CG2-CD1 3.88Å; V186-Y192 HydrophobicContact CG2-CE1 3.99Å; V186-Y192 HydrophobicContact CG2-CG 4.44Å
187	N	76.7	Confident	61.6	Low	66 Å²	66	87.9 Å²	87.9	35%	0.353	49%	0.492	S	S	.	.			trans	-72.2	164.6	176	-93	14.1	0	0	0	111.9	D189 G190 R191 V193	N187-D189 PolarHBondContact O-N 3.23Å; N187-G190 PolarHBondContact O-N 3.16Å; N187-R191 PolarHBondContact N-O 3.3Å; N187-V193 HydrophobicContact CB-CG2 4.11Å; N187-V193 VanDerWaalsContact OD1-CG2 3.29Å; N187-V193 WeakPolarHBondContact OD1-CG2 3.29Å
188	K	67.6	Low	63.6	Low	179 Å²	179	90.8 Å²	90.8	78%	0.778	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.3	174.8	-61.3	-178.9	-178.8	179	0	112.7	G139 G190	G139-K188 PolarHBondContact O-NZ 2.94Å; K188-G190 VanDerWaalsContact C-N 3.27Å; K188-G190 PolarHBondContact O-N 3.34Å
189	D	74.6	Confident	65.8	Low	118 Å²	118	88.5 Å²	88.5	63%	0.631	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	9.5	175.1	-31.2	-75.7	0	0	0	114.9	N187 R191	N187-D189 PolarHBondContact O-N 3.23Å; D189-R191 HydrophobicContact CB-CG 4.29Å; D189-R191 PolarHBondContact O-N 2.75Å
190	G	76.3	Confident	68.2	Low	49 Å²	49	86 Å²	86	51%	0.505	46%	0.455	S	S	.	.	S	Bend	trans	69.9	12.3	-175.6	0	0	0	0	0	114.9	N187 K188	N187-G190 PolarHBondContact O-N 3.16Å; K188-G190 VanDerWaalsContact C-N 3.27Å; K188-G190 PolarHBondContact O-N 3.34Å
191	R	82.7	Confident	70.5	Confident	125 Å²	125	83.9 Å²	83.9	47%	0.472	43%	0.43	S	S	.	.			trans	-94.2	135.7	-177.8	-64	-175.6	-175.7	-157.1	5.2	112	V186 N187 D189	V186-R191 WeakPolarHBondContact CA-O 3.25Å; N187-R191 PolarHBondContact N-O 3.3Å; D189-R191 HydrophobicContact CB-CG 4.29Å; D189-R191 PolarHBondContact O-N 2.75Å
192	Y	83.4	Confident	72.6	Confident	72 Å²	72	84.4 Å²	84.4	28%	0.282	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131	-179.6	-66.3	-95.9	0	0	0	110.5	L184 L185 V186 T200 F201 G204	L184-Y192 HydrophobicContact CB-CD1 4.24Å; L184-Y192 HydrophobicContact CD1-CD1 4.16Å; L184-Y192 HydrophobicContact CD1-CE1 4.15Å; L185-Y192 CarbonylContact O-C 3.53Å; L185-Y192 WeakPolarHBondContact O-CA 3.45Å; V186-Y192 HydrophobicContact CG2-CD1 3.88Å; V186-Y192 HydrophobicContact CG2-CE1 3.99Å; V186-Y192 HydrophobicContact CG2-CG 4.44Å; Y192-T200 CarbonylContact O-C 3.57Å; Y192-T200 WeakPolarHBondContact O-CA 3.42Å; Y192-F201 PolarHBondContact N-O 3.43Å; Y192-F201 PolarHBondContact O-N 2.89Å; Y192-G204 VanDerWaalsContact CD1-CA 3.46Å; Y192-G204 VanDerWaalsContact CD2-N 3.3Å
193	V	77.1	Confident	74.1	Confident	7 Å²	7	83.5 Å²	83.5	4%	0.042	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.2	-173.4	-172.5	0	0	0	0	111.6	L185 N187 A195 K199 T200 L207	L185-V193 HydrophobicContact CD2-CB 4.42Å; L185-V193 PolarHBondContact O-N 3.12Å; N187-V193 HydrophobicContact CB-CG2 4.11Å; N187-V193 VanDerWaalsContact OD1-CG2 3.29Å; N187-V193 WeakPolarHBondContact OD1-CG2 3.29Å; V193-A195 PolarHBondContact O-N 2.87Å; V193-K199 WeakPolarHBondContact CA-O 3.08Å; V193-T200 HydrophobicContact CG2-CG2 3.92Å; V193-L207 WeakPolarHBondContact O-CD2 3.44Å
194	C	80.5	Confident	75.3	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	40%	0.402	C	S	.	.			trans	-78	113.4	173.8	-173	0	0	0	0	111.3	L196 C197 H198 K199 F201 L207 H214	C194-L196 PolarHBondContact O-N 3.38Å; C194-L196 VanDerWaalsContact O-N 3.1Å; C194-C197 PolarHBondContact O-N 2.85Å; C194-H198 VanDerWaalsContact O-CA 3.29Å; C194-H198 WeakPolarHBondContact O-CA 3.27Å; C194-H198 PolarHBondContact O-N 3.24Å; C194-K199 PolarHBondContact N-O 3.49Å; C194-F201 HydrophobicContact CB-CE2 4.09Å; C194-L207 HydrophobicContact CB-CD1 3.53Å; C194-H214 VanDerWaalsContact SG-CD2 3.51Å; C194-H214 PolarHBondContact SG-NE2 2.88Å
195	A	70.9	Confident	76	Confident	65 Å²	65	79.2 Å²	79.2	54%	0.537	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.5	178	0	0	0	0	0	113.9	V193	V193-A195 PolarHBondContact O-N 2.87Å
196	L	71	Confident	76.6	Confident	116 Å²	116	79.1 Å²	79.1	61%	0.607	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.8	-175.8	-59.1	176.1	0	0	0	115.2	C194 H214	C194-L196 PolarHBondContact O-N 3.38Å; C194-L196 VanDerWaalsContact O-N 3.1Å; L196-H214 HydrophobicContact CD1-CB 3.56Å
197	C	72.7	Confident	76.7	Confident	42 Å²	42	77.5 Å²	77.5	28%	0.284	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.4	13.8	178.9	77.4	0	0	0	0	115.1	C194 K199 H210	C194-C197 PolarHBondContact O-N 2.85Å; C197-K199 PolarHBondContact O-N 3.02Å; C197-H210 PolarHBondContact SG-NE2 2.99Å
198	H	73.1	Confident	76.5	Confident	142 Å²	142	81.2 Å²	81.2	66%	0.657	42%	0.42	S	S	*	.			trans	50.3	20.4	177.4	-49	-69	0	0	0	116.8	C194	C194-H198 VanDerWaalsContact O-CA 3.29Å; C194-H198 WeakPolarHBondContact O-CA 3.27Å; C194-H198 PolarHBondContact O-N 3.24Å
199	K	74.3	Confident	76.6	Confident	125 Å²	125	75.7 Å²	75.7	54%	0.543	41%	0.408	S	S	.	.			trans	-75.9	138.1	175.4	-71.8	179	-174	178.3	0	110.4	V193 C194 C197 F201	V193-K199 WeakPolarHBondContact CA-O 3.08Å; C194-K199 PolarHBondContact N-O 3.49Å; C197-K199 PolarHBondContact O-N 3.02Å; K199-F201 HydrophobicContact CB-CE2 3.65Å; K199-F201 HydrophobicContact CB-CZ 3.72Å; K199-F201 WeakPolarHBondContact O-CD2 3.46Å; K199-F201 WeakPolarHBondContact O-CE2 3.44Å
200	T	81.8	Confident	76.6	Confident	65 Å²	65	71.4 Å²	71.4	40%	0.399	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.7	-178.2	71.2	0	0	0	0	111.6	Y192 V193	Y192-T200 CarbonylContact O-C 3.57Å; Y192-T200 WeakPolarHBondContact O-CA 3.42Å; V193-T200 HydrophobicContact CG2-CG2 3.92Å
201	F	81.8	Confident	76.2	Confident	37 Å²	37	71.5 Å²	71.5	16%	0.162	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.2	-172.3	-61.5	-80.7	0	0	0	110.9	Y192 C194 K199 I206 L207 H210	Y192-F201 PolarHBondContact N-O 3.43Å; Y192-F201 PolarHBondContact O-N 2.89Å; C194-F201 HydrophobicContact CB-CE2 4.09Å; K199-F201 HydrophobicContact CB-CE2 3.65Å; K199-F201 HydrophobicContact CB-CZ 3.72Å; K199-F201 WeakPolarHBondContact O-CD2 3.46Å; K199-F201 WeakPolarHBondContact O-CE2 3.44Å; F201-I206 HydrophobicContact CB-CG2 4.36Å; F201-I206 HydrophobicContact CD1-CG2 3.61Å; F201-I206 HydrophobicContact CE1-CG2 4.34Å; F201-I206 HydrophobicContact CG-CG2 4.29Å; F201-L207 HydrophobicContact CB-CB 4.34Å; F201-L207 HydrophobicContact CD2-CB 4.18Å; F201-L207 HydrophobicContact CD2-CD1 3.85Å; F201-L207 HydrophobicContact CE2-CD1 4.05Å; F201-L207 HydrophobicContact CG-CB 4.43Å; F201-H210 HydrophobicContact CE1-CB 4.04Å; F201-H210 HydrophobicContact CE2-CB 4.16Å; F201-H210 AromaticContact CE2-CD2 3.29Å; F201-H210 WeakPolarHBondContact CE2-CD2 3.47Å; F201-H210 AromaticContact CE2-CG 3.79Å; F201-H210 HydrophobicContact CZ-CB 3.73Å; F201-H210 AromaticContact CZ-CD2 3.21Å; F201-H210 WeakPolarHBondContact CZ-CD2 3.45Å; F201-H210 AromaticContact CZ-CG 3.29Å; F201-H210 AromaticContact CZ-ND1 3.91Å; F201-H210 AromaticContact CZ-NE2 3.8Å
202	K	79.5	Confident	75.5	Confident	179 Å²	179	68.9 Å²	68.9	78%	0.778	37%	0.369	S	S	*	.	S	Bend	trans	-74.2	-24.7	-176.9	-64.2	-170.5	178.5	-172.8	0	113.8
203	T	80.6	Confident	74.5	Confident	52 Å²	52	68.5 Å²	68.5	32%	0.319	38%	0.375	S	S	.	.	S	Bend	trans	-142.8	153.4	-179.3	66.2	0	0	0	0	111.6	S205 I206 L207	T203-S205 PolarHBondContact O-N 2.8Å; T203-S205 PolarHBondContact OG1-OG 2.9Å; T203-I206 PolarHBondContact O-N 3.31Å; T203-I206 WeakPolarHBondContact OG1-CD1 3.24Å; T203-I206 VanDerWaalsContact OG1-CG1 3.29Å; T203-I206 WeakPolarHBondContact OG1-CG1 3.33Å; T203-I206 PolarHBondContact OG1-N 3.17Å; T203-L207 PolarHBondContact O-N 2.64Å; T203-L207 VanDerWaalsContact O-N 3.08Å
204	G	76.1	Confident	73.9	Confident	13 Å²	13	71.4 Å²	71.4	13%	0.134	39%	0.388	C	S	.	.	H	α-helix	trans	-61.7	-30.2	173.8	0	0	0	0	0	113	Y192 L207 K208	Y192-G204 VanDerWaalsContact CD1-CA 3.46Å; Y192-G204 VanDerWaalsContact CD2-N 3.3Å; G204-L207 PolarHBondContact O-N 2.64Å; G204-K208 WeakPolarHBondContact O-CB 3.44Å; G204-K208 PolarHBondContact O-N 3.37Å
205	S	77.1	Confident	73.1	Confident	87 Å²	87	74 Å²	74	61%	0.608	41%	0.406	S	S	*	.	H	α-helix	trans	-65.1	-41.8	174.5	52.5	0	0	0	0	112.9	T203 K208 A209	T203-S205 PolarHBondContact O-N 2.8Å; T203-S205 PolarHBondContact OG1-OG 2.9Å; S205-K208 PolarHBondContact O-N 3Å; S205-A209 WeakPolarHBondContact O-CB 3.2Å; S205-A209 PolarHBondContact O-N 3.48Å
206	I	76.1	Confident	72.3	Confident	87 Å²	87	75.7 Å²	75.7	45%	0.446	41%	0.414	S	S	.	.	H	α-helix	trans	-70.1	-37.2	175.3	-62.8	166.4	0	0	0	110.3	F201 T203 H210	F201-I206 HydrophobicContact CB-CG2 4.36Å; F201-I206 HydrophobicContact CD1-CG2 3.61Å; F201-I206 HydrophobicContact CE1-CG2 4.34Å; F201-I206 HydrophobicContact CG-CG2 4.29Å; T203-I206 PolarHBondContact O-N 3.31Å; T203-I206 WeakPolarHBondContact OG1-CD1 3.24Å; T203-I206 VanDerWaalsContact OG1-CG1 3.29Å; T203-I206 WeakPolarHBondContact OG1-CG1 3.33Å; T203-I206 PolarHBondContact OG1-N 3.17Å; I206-H210 WeakPolarHBondContact O-CB 3.28Å; I206-H210 PolarHBondContact O-N 3.01Å
207	L	77.5	Confident	71.6	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	42%	0.417	C	S	.	.	H	α-helix	trans	-62.5	-46.4	171.9	173.3	57.2	0	0	0	111.5	L184 V193 C194 F201 T203 G204 A209 H210 M211	L184-L207 HydrophobicContact CD2-CD2 3.89Å; L184-L207 HydrophobicContact CD2-CG 4.33Å; V193-L207 WeakPolarHBondContact O-CD2 3.44Å; C194-L207 HydrophobicContact CB-CD1 3.53Å; F201-L207 HydrophobicContact CB-CB 4.34Å; F201-L207 HydrophobicContact CD2-CB 4.18Å; F201-L207 HydrophobicContact CD2-CD1 3.85Å; F201-L207 HydrophobicContact CE2-CD1 4.05Å; F201-L207 HydrophobicContact CG-CB 4.43Å; T203-L207 PolarHBondContact O-N 2.64Å; T203-L207 VanDerWaalsContact O-N 3.08Å; G204-L207 PolarHBondContact O-N 2.64Å; L207-A209 VanDerWaalsContact C-N 3.35Å; L207-A209 PolarHBondContact O-N 3.16Å; L207-H210 CarbonylContact O-C 3.49Å; L207-H210 WeakPolarHBondContact O-CA 3.32Å; L207-H210 WeakPolarHBondContact O-CB 3.36Å; L207-H210 PolarHBondContact O-N 2.96Å; L207-M211 HydrophobicContact CD1-CG 4.02Å; L207-M211 HydrophobicContact CD1-SD 4.29Å; L207-M211 HydrophobicContact CG-CG 4.47Å; L207-M211 HydrophobicContact CG-SD 4.32Å; L207-M211 WeakPolarHBondContact O-CG 3.41Å; L207-M211 PolarHBondContact O-N 3.13Å
208	K	71.6	Confident	71	Confident	145 Å²	145	82.1 Å²	82.1	63%	0.63	43%	0.427	S	S	*	.	H	α-helix	trans	-60.2	-44.1	178.5	-162.4	169.3	-174.2	175.2	0	111	G204 S205 H210 M211 V212	G204-K208 WeakPolarHBondContact O-CB 3.44Å; G204-K208 PolarHBondContact O-N 3.37Å; S205-K208 PolarHBondContact O-N 3Å; K208-H210 VanDerWaalsContact C-N 3.32Å; K208-H210 PolarHBondContact O-N 3.45Å; K208-M211 PolarHBondContact O-N 2.86Å; K208-V212 PolarHBondContact O-N 3.05Å
209	A	70.6	Confident	70.5	Confident	63 Å²	63	80.1 Å²	80.1	52%	0.521	42%	0.421	S	S	.	.	H	α-helix	trans	-64	-31.9	172	0	0	0	0	0	113.5	S205 L207	S205-A209 WeakPolarHBondContact O-CB 3.2Å; S205-A209 PolarHBondContact O-N 3.48Å; L207-A209 VanDerWaalsContact C-N 3.35Å; L207-A209 PolarHBondContact O-N 3.16Å
210	H	74.3	Confident	70.3	Confident	27 Å²	27	77.4 Å²	77.4	13%	0.125	41%	0.41	C	S	.	.	H	α-helix	trans	-74	-30.8	172.1	174.2	57.3	0	0	0	112.9	C197 F201 I206 L207 K208 V212 T213 H214	C197-H210 PolarHBondContact SG-NE2 2.99Å; F201-H210 HydrophobicContact CE1-CB 4.04Å; F201-H210 HydrophobicContact CE2-CB 4.16Å; F201-H210 AromaticContact CE2-CD2 3.29Å; F201-H210 WeakPolarHBondContact CE2-CD2 3.47Å; F201-H210 AromaticContact CE2-CG 3.79Å; F201-H210 HydrophobicContact CZ-CB 3.73Å; F201-H210 AromaticContact CZ-CD2 3.21Å; F201-H210 WeakPolarHBondContact CZ-CD2 3.45Å; F201-H210 AromaticContact CZ-CG 3.29Å; F201-H210 AromaticContact CZ-ND1 3.91Å; F201-H210 AromaticContact CZ-NE2 3.8Å; I206-H210 WeakPolarHBondContact O-CB 3.28Å; I206-H210 PolarHBondContact O-N 3.01Å; L207-H210 CarbonylContact O-C 3.49Å; L207-H210 WeakPolarHBondContact O-CA 3.32Å; L207-H210 WeakPolarHBondContact O-CB 3.36Å; L207-H210 PolarHBondContact O-N 2.96Å; K208-H210 VanDerWaalsContact C-N 3.32Å; K208-H210 PolarHBondContact O-N 3.45Å; H210-V212 PolarHBondContact O-N 3.44Å; H210-T213 PolarHBondContact CE1-OG1 3.32Å; H210-T213 PolarHBondContact ND1-OG1 3.3Å; H210-T213 WeakPolarHBondContact O-CA 3.43Å; H210-T213 VanDerWaalsContact O-CB 3.27Å; H210-T213 WeakPolarHBondContact O-CB 3.21Å; H210-T213 PolarHBondContact O-N 3.48Å; H210-T213 PolarHBondContact O-OG1 2.88Å; H210-H214 AromaticContact CD2-NE2 3.95Å; H210-H214 AromaticContact CE1-NE2 3.47Å; H210-H214 PolarHBondContact CE1-NE2 2.84Å; H210-H214 AromaticContact NE2-CD2 3.87Å; H210-H214 AromaticContact NE2-NE2 3.09Å; H210-H214 PolarHBondContact NE2-NE2 2.92Å
211	M	68	Low	69.8	Low	52 Å²	52	79.9 Å²	79.9	26%	0.256	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-27.1	174.1	-69.8	-177.3	72.3	0	0	112.2	V182 L207 K208 T213 H214 S215	V182-M211 HydrophobicContact CG1-CE 3.72Å; V182-M211 HydrophobicContact CG1-SD 3.81Å; L207-M211 HydrophobicContact CD1-CG 4.02Å; L207-M211 HydrophobicContact CD1-SD 4.29Å; L207-M211 HydrophobicContact CG-CG 4.47Å; L207-M211 HydrophobicContact CG-SD 4.32Å; L207-M211 WeakPolarHBondContact O-CG 3.41Å; L207-M211 PolarHBondContact O-N 3.13Å; K208-M211 PolarHBondContact O-N 2.86Å; M211-T213 PolarHBondContact O-N 2.96Å; M211-T213 VanDerWaalsContact O-N 3.13Å; M211-H214 PolarHBondContact O-N 3.48Å; M211-S215 PolarHBondContact O-N 3.16Å; M211-S215 VanDerWaalsContact O-N 3.07Å
212	V	68.7	Low	69.6	Low	69 Å²	69	78.1 Å²	78.1	42%	0.418	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.9	165.6	-174.7	0	0	0	0	112.7	K208 H210 S215 R230	K208-V212 PolarHBondContact O-N 3.05Å; H210-V212 PolarHBondContact O-N 3.44Å; V212-S215 WeakPolarHBondContact CA-OG 3.49Å; V212-R230 WeakPolarHBondContact O-CD 3.43Å; V212-R230 PolarHBondContact O-NE 3.15Å
213	T	61.1	Low	69.1	Low	64 Å²	64	78.4 Å²	78.4	39%	0.393	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.6	170.2	76	0	0	0	0	114.3	H210 M211 R230	H210-T213 PolarHBondContact CE1-OG1 3.32Å; H210-T213 PolarHBondContact ND1-OG1 3.3Å; H210-T213 WeakPolarHBondContact O-CA 3.43Å; H210-T213 VanDerWaalsContact O-CB 3.27Å; H210-T213 WeakPolarHBondContact O-CB 3.21Å; H210-T213 PolarHBondContact O-N 3.48Å; H210-T213 PolarHBondContact O-OG1 2.88Å; M211-T213 PolarHBondContact O-N 2.96Å; M211-T213 VanDerWaalsContact O-N 3.13Å; T213-R230 VanDerWaalsContact C-NH2 3.25Å; T213-R230 PolarHBondContact O-NH1 3.22Å; T213-R230 PolarHBondContact O-NH2 3.09Å
214	H	63.8	Low	68.4	Low	68 Å²	68	81.1 Å²	81.1	32%	0.315	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-36.4	173.1	-63.3	-64.5	0	0	0	112.2	C194 L196 H210 M211 S216	C194-H214 VanDerWaalsContact SG-CD2 3.51Å; C194-H214 PolarHBondContact SG-NE2 2.88Å; L196-H214 HydrophobicContact CD1-CB 3.56Å; H210-H214 AromaticContact CD2-NE2 3.95Å; H210-H214 AromaticContact CE1-NE2 3.47Å; H210-H214 PolarHBondContact CE1-NE2 2.84Å; H210-H214 AromaticContact NE2-CD2 3.87Å; H210-H214 AromaticContact NE2-NE2 3.09Å; H210-H214 PolarHBondContact NE2-NE2 2.92Å; M211-H214 PolarHBondContact O-N 3.48Å; H214-S216 PolarHBondContact O-N 2.78Å
215	S	65.2	Low	68.2	Low	54 Å²	54	83.4 Å²	83.4	38%	0.378	44%	0.436	S	S	.	.	S	Bend	trans	-63.6	124.4	168.2	57.7	0	0	0	0	110	M211 V212 R217 R230	M211-S215 PolarHBondContact O-N 3.16Å; M211-S215 VanDerWaalsContact O-N 3.07Å; V212-S215 WeakPolarHBondContact CA-OG 3.49Å; S215-R217 VanDerWaalsContact C-N 3.28Å; S215-R230 PolarHBondContact O-NE 2.8Å; S215-R230 PolarHBondContact O-NH2 3.37Å
216	S	53.8	Low	67.6	Low	101 Å²	101	82 Å²	82	71%	0.706	44%	0.435	S	S	*	.			trans	-86.5	3.4	-176.8	48	0	0	0	0	113.2	H214	H214-S216 PolarHBondContact O-N 2.78Å
217	R	57.1	Low	67.3	Low	182 Å²	182	79.1 Å²	79.1	69%	0.687	43%	0.425	S	S	*	.			trans	-61.4	135.1	169.2	-63.5	-174.7	69.3	136.4	3	109.9	S215 D219	S215-R217 VanDerWaalsContact C-N 3.28Å; R217-D219 IonicContact CZ-OD1 3.32Å; R217-D219 IonicContact NE-OD1 3.94Å; R217-D219 PolarHBondContact NE-OD1 2.76Å; R217-D219 IonicContact NH2-OD1 3.22Å
218	K	58.3	Low	67.1	Low	111 Å²	111	81.1 Å²	81.1	48%	0.483	44%	0.439	S	S	.	.			trans	-137.7	66.1	-174.5	-64.6	170.5	177.9	177.8	0	108.7	H220 S228 F229	K218-H220 PolarHBondContact O-N 3.01Å; K218-S228 WeakPolarHBondContact CD-OG 3.32Å; K218-S228 PolarHBondContact NZ-OG 3.36Å; K218-F229 CarbonylContact C-O 3.54Å; K218-F229 VanDerWaalsContact C-O 3.24Å; K218-F229 WeakPolarHBondContact CA-O 3.43Å
219	D	64.4	Low	67.1	Low	101 Å²	101	76.6 Å²	76.6	54%	0.54	42%	0.419	S	S	.	.			trans	-71.5	16.3	-163.4	-38.4	-90.1	0	0	0	114	R217	R217-D219 IonicContact CZ-OD1 3.32Å; R217-D219 IonicContact NE-OD1 3.94Å; R217-D219 PolarHBondContact NE-OD1 2.76Å; R217-D219 IonicContact NH2-OD1 3.22Å
220	H	69.6	Low	67	Low	67 Å²	67	78.6 Å²	78.6	31%	0.31	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	98.3	-179.9	-58.9	-47.6	0	0	0	112	K218 F229 K232 L235	K218-H220 PolarHBondContact O-N 3.01Å; H220-F229 PolarHBondContact N-O 3.02Å; H220-F229 PolarHBondContact O-N 3.28Å; H220-K232 PolarHBondContact CD2-N 3.24Å; H220-K232 PolarHBondContact NE2-N 3.31Å; H220-L235 HydrophobicContact CB-CB 4.25Å; H220-L235 HydrophobicContact CB-CD2 4.01Å
221	E	70.3	Confident	66.8	Low	118 Å²	118	80.8 Å²	80.8	55%	0.551	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	149.4	179.1	57.1	169.5	-152.6	0	0	114.8	L235	E221-L235 VanDerWaalsContact C-CD1 3.47Å; E221-L235 WeakPolarHBondContact O-CD1 3.49Å; E221-L235 WeakPolarHBondContact O-CD2 3.43Å
222	C	77.8	Confident	66.9	Low	0 Å²	0	85.2 Å²	85.2	0%	0	45%	0.446	C	S	.	.			trans	-88.5	102.3	171.4	-176.7	0	0	0	0	110.1	L224 C225 G226 A227 F229 L235 H238 H239	C222-L224 PolarHBondContact O-N 2.99Å; C222-C225 PolarHBondContact O-N 3.37Å; C222-G226 PolarHBondContact O-N 2.87Å; C222-A227 HydrophobicContact CB-CB 4.24Å; C222-A227 WeakPolarHBondContact CB-O 3.48Å; C222-A227 PolarHBondContact N-O 3.16Å; C222-F229 HydrophobicContact CB-CE2 4.32Å; C222-L235 HydrophobicContact CB-CD1 3.72Å; C222-H238 PolarHBondContact SG-CD2 3.08Å; C222-H238 PolarHBondContact SG-NE2 3.49Å; C222-H239 PolarHBondContact SG-NE2 2.93Å
223	K	68.9	Low	67.2	Low	185 Å²	185	84 Å²	84	80%	0.804	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-14.1	176.7	-60.9	-167.1	174.2	-165.2	0	114.5
224	L	66.7	Low	67.9	Low	108 Å²	108	82.2 Å²	82.2	57%	0.565	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-8.3	179.1	-59.7	176.9	0	0	0	114.6	C222 H242	C222-L224 PolarHBondContact O-N 2.99Å; L224-H242 HydrophobicContact CD1-CB 3.67Å
225	C	70.9	Confident	68.6	Low	61 Å²	61	80.2 Å²	80.2	41%	0.412	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.9	19.9	172.9	69.4	0	0	0	0	116.3	C222 A227 H238 H242	C222-C225 PolarHBondContact O-N 3.37Å; C225-A227 PolarHBondContact O-N 3.04Å; C225-H238 PolarHBondContact SG-NE2 3.37Å; C225-H242 WeakPolarHBondContact CB-NE2 3.34Å; C225-H242 PolarHBondContact SG-NE2 2.88Å
226	G	65.6	Low	69.2	Low	57 Å²	57	81.6 Å²	81.6	59%	0.588	43%	0.432	S	S	*	.			trans	65.9	0.4	179.3	0	0	0	0	0	115.5	C222 S228	C222-G226 PolarHBondContact O-N 2.87Å; G226-S228 PolarHBondContact O-N 2.96Å; G226-S228 VanDerWaalsContact O-N 3.14Å
227	A	70.2	Confident	70.3	Confident	28 Å²	28	82.5 Å²	82.5	23%	0.231	42%	0.42	C	S	.	.			trans	-69.4	113.4	-178.3	0	0	0	0	0	110.4	C222 C225 F229	C222-A227 HydrophobicContact CB-CB 4.24Å; C222-A227 WeakPolarHBondContact CB-O 3.48Å; C222-A227 PolarHBondContact N-O 3.16Å; C225-A227 PolarHBondContact O-N 3.04Å; A227-F229 HydrophobicContact CB-CE2 3.7Å; A227-F229 HydrophobicContact CB-CZ 3.82Å; A227-F229 WeakPolarHBondContact O-CD2 3.26Å; A227-F229 WeakPolarHBondContact O-CE2 3.33Å
228	S	71.4	Confident	71.3	Confident	43 Å²	43	75.1 Å²	75.1	30%	0.301	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.1	-174.7	40.9	0	0	0	0	112.5	K218 G226	K218-S228 WeakPolarHBondContact CD-OG 3.32Å; K218-S228 PolarHBondContact NZ-OG 3.36Å; G226-S228 PolarHBondContact O-N 2.96Å; G226-S228 VanDerWaalsContact O-N 3.14Å
229	F	72.3	Confident	72	Confident	49 Å²	49	72.6 Å²	72.6	22%	0.215	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.8	-167.6	-63.3	-80.8	0	0	0	112.7	K218 H220 C222 A227 L235 H238	K218-F229 CarbonylContact C-O 3.54Å; K218-F229 VanDerWaalsContact C-O 3.24Å; K218-F229 WeakPolarHBondContact CA-O 3.43Å; H220-F229 PolarHBondContact N-O 3.02Å; H220-F229 PolarHBondContact O-N 3.28Å; C222-F229 HydrophobicContact CB-CE2 4.32Å; A227-F229 HydrophobicContact CB-CE2 3.7Å; A227-F229 HydrophobicContact CB-CZ 3.82Å; A227-F229 WeakPolarHBondContact O-CD2 3.26Å; A227-F229 WeakPolarHBondContact O-CE2 3.33Å; F229-L235 HydrophobicContact CD2-CB 4.22Å; F229-L235 HydrophobicContact CD2-CD1 3.73Å; F229-L235 HydrophobicContact CE2-CD1 4.13Å; F229-H238 HydrophobicContact CE1-CB 4.22Å; F229-H238 HydrophobicContact CE2-CB 3.75Å; F229-H238 AromaticContact CE2-CD2 3.61Å; F229-H238 AromaticContact CE2-CG 3.51Å; F229-H238 AromaticContact CE2-ND1 3.93Å; F229-H238 HydrophobicContact CZ-CB 3.57Å; F229-H238 AromaticContact CZ-CD2 3.86Å; F229-H238 AromaticContact CZ-CE1 3.84Å; F229-H238 AromaticContact CZ-CG 3.32Å; F229-H238 AromaticContact CZ-ND1 3.35Å; F229-H238 VanDerWaalsContact CZ-ND1 3.35Å; F229-H238 WeakPolarHBondContact CZ-ND1 3.42Å
230	R	69.1	Low	72.7	Confident	106 Å²	106	70.4 Å²	70.4	40%	0.4	37%	0.367	S	S	.	.	S	Bend	trans	-84.7	-10.9	179.4	-71	174.1	165.8	154.6	-10.2	115.1	V212 T213 S215	V212-R230 WeakPolarHBondContact O-CD 3.43Å; V212-R230 PolarHBondContact O-NE 3.15Å; T213-R230 VanDerWaalsContact C-NH2 3.25Å; T213-R230 PolarHBondContact O-NH1 3.22Å; T213-R230 PolarHBondContact O-NH2 3.09Å; S215-R230 PolarHBondContact O-NE 2.8Å; S215-R230 PolarHBondContact O-NH2 3.37Å
231	T	69.9	Low	72.8	Confident	73 Å²	73	74.4 Å²	74.4	45%	0.448	38%	0.379	S	S	.	.	S	Bend	trans	-149	139.6	180	55.5	0	0	0	0	112.3	G233 S234 L235	T231-G233 PolarHBondContact O-N 3.42Å; T231-S234 WeakPolarHBondContact O-CA 3.45Å; T231-S234 WeakPolarHBondContact O-CB 3.39Å; T231-S234 PolarHBondContact O-N 3.36Å; T231-S234 WeakPolarHBondContact OG1-CB 3.23Å; T231-S234 PolarHBondContact OG1-OG 3.45Å; T231-L235 PolarHBondContact O-N 2.85Å
232	K	70.7	Confident	72.9	Confident	144 Å²	144	72.7 Å²	72.7	63%	0.626	37%	0.371	S	S	*	.	H	α-helix	trans	-53.6	-38.2	178.1	-170.8	174.1	-179.1	176.7	0	112.4	H220 S234 L235 I236	H220-K232 PolarHBondContact CD2-N 3.24Å; H220-K232 PolarHBondContact NE2-N 3.31Å; K232-S234 VanDerWaalsContact C-N 3.33Å; K232-S234 PolarHBondContact O-N 3.29Å; K232-L235 WeakPolarHBondContact O-CB 3.4Å; K232-L235 PolarHBondContact O-N 3.37Å; K232-I236 HydrophobicContact CG-CD1 4.16Å; K232-I236 WeakPolarHBondContact O-CG1 3.26Å; K232-I236 PolarHBondContact O-N 2.78Å
233	G	74.8	Confident	72.5	Confident	45 Å²	45	76.2 Å²	76.2	46%	0.464	39%	0.393	S	S	.	.	H	α-helix	trans	-65.7	-28.9	174	0	0	0	0	0	114.7	T231 R237	T231-G233 PolarHBondContact O-N 3.42Å; G233-R237 WeakPolarHBondContact O-CB 3.34Å; G233-R237 PolarHBondContact O-N 3.4Å; G233-R237 VanDerWaalsContact O-N 3.13Å
234	S	75.9	Confident	72.4	Confident	25 Å²	25	71 Å²	71	18%	0.175	37%	0.374	C	S	.	.	H	α-helix	trans	-76.9	-36.7	172.2	-60.6	0	0	0	0	111.9	T231 K232 R237 H238	T231-S234 WeakPolarHBondContact O-CA 3.45Å; T231-S234 WeakPolarHBondContact O-CB 3.39Å; T231-S234 PolarHBondContact O-N 3.36Å; T231-S234 WeakPolarHBondContact OG1-CB 3.23Å; T231-S234 PolarHBondContact OG1-OG 3.45Å; K232-S234 VanDerWaalsContact C-N 3.33Å; K232-S234 PolarHBondContact O-N 3.29Å; S234-R237 PolarHBondContact O-N 3.24Å; S234-R237 PolarHBondContact OG-NH2 3.02Å; S234-R237 VanDerWaalsContact OG-NH2 3.1Å; S234-H238 WeakPolarHBondContact O-CB 3.38Å; S234-H238 PolarHBondContact O-N 3.4Å
235	L	78.1	Confident	72.8	Confident	26 Å²	26	70.5 Å²	70.5	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-60.7	-47.5	170.9	178.9	65	0	0	0	111.2	H220 E221 C222 F229 T231 K232 R237 H238 H239	H220-L235 HydrophobicContact CB-CB 4.25Å; H220-L235 HydrophobicContact CB-CD2 4.01Å; E221-L235 VanDerWaalsContact C-CD1 3.47Å; E221-L235 WeakPolarHBondContact O-CD1 3.49Å; E221-L235 WeakPolarHBondContact O-CD2 3.43Å; C222-L235 HydrophobicContact CB-CD1 3.72Å; F229-L235 HydrophobicContact CD2-CB 4.22Å; F229-L235 HydrophobicContact CD2-CD1 3.73Å; F229-L235 HydrophobicContact CE2-CD1 4.13Å; T231-L235 PolarHBondContact O-N 2.85Å; K232-L235 WeakPolarHBondContact O-CB 3.4Å; K232-L235 PolarHBondContact O-N 3.37Å; L235-R237 PolarHBondContact O-N 3.5Å; L235-H238 CarbonylContact O-C 3.58Å; L235-H238 WeakPolarHBondContact O-CA 3.4Å; L235-H238 WeakPolarHBondContact O-CB 3.48Å; L235-H238 PolarHBondContact O-N 3.03Å; L235-H238 VanDerWaalsContact O-N 3.07Å; L235-H239 WeakPolarHBondContact CD1-NE2 3.48Å; L235-H239 PolarHBondContact O-CD2 3.15Å; L235-H239 VanDerWaalsContact O-CD2 3.31Å; L235-H239 PolarHBondContact O-N 3.05Å
236	I	76.6	Confident	73.1	Confident	84 Å²	84	73.4 Å²	73.4	43%	0.431	37%	0.371	S	S	.	.	H	α-helix	trans	-60.6	-45	177.1	-68.9	162.3	0	0	0	111.4	K232 H238 H239 R240	K232-I236 HydrophobicContact CG-CD1 4.16Å; K232-I236 WeakPolarHBondContact O-CG1 3.26Å; K232-I236 PolarHBondContact O-N 2.78Å; I236-H238 PolarHBondContact O-N 3.13Å; I236-H239 PolarHBondContact O-N 3.35Å; I236-H239 VanDerWaalsContact O-N 3.17Å; I236-R240 PolarHBondContact O-N 3.34Å
237	R	77.6	Confident	73.7	Confident	119 Å²	119	73.7 Å²	73.7	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-31.1	175.4	-172.5	172.5	64.9	-111	-10.8	112.2	G233 S234 L235 E259	G233-R237 WeakPolarHBondContact O-CB 3.34Å; G233-R237 PolarHBondContact O-N 3.4Å; G233-R237 VanDerWaalsContact O-N 3.13Å; S234-R237 PolarHBondContact O-N 3.24Å; S234-R237 PolarHBondContact OG-NH2 3.02Å; S234-R237 VanDerWaalsContact OG-NH2 3.1Å; L235-R237 PolarHBondContact O-N 3.5Å; R237-E259 VanDerWaalsContact CD-OE1 3.28Å; R237-E259 WeakPolarHBondContact CD-OE1 3.22Å; R237-E259 HydrophobicContact CG-CG 4Å; R237-E259 WeakPolarHBondContact CG-OE1 3.17Å; R237-E259 IonicContact NE-OE1 3.94Å
238	H	77.8	Confident	74.2	Confident	27 Å²	27	75.9 Å²	75.9	13%	0.125	37%	0.365	C	S	.	.	H	α-helix	trans	-77	-37.9	172.6	176.5	90.6	0	0	0	113	C222 C225 F229 S234 L235 I236 R240 R241 H242	C222-H238 PolarHBondContact SG-CD2 3.08Å; C222-H238 PolarHBondContact SG-NE2 3.49Å; C225-H238 PolarHBondContact SG-NE2 3.37Å; F229-H238 HydrophobicContact CE1-CB 4.22Å; F229-H238 HydrophobicContact CE2-CB 3.75Å; F229-H238 AromaticContact CE2-CD2 3.61Å; F229-H238 AromaticContact CE2-CG 3.51Å; F229-H238 AromaticContact CE2-ND1 3.93Å; F229-H238 HydrophobicContact CZ-CB 3.57Å; F229-H238 AromaticContact CZ-CD2 3.86Å; F229-H238 AromaticContact CZ-CE1 3.84Å; F229-H238 AromaticContact CZ-CG 3.32Å; F229-H238 AromaticContact CZ-ND1 3.35Å; F229-H238 VanDerWaalsContact CZ-ND1 3.35Å; F229-H238 WeakPolarHBondContact CZ-ND1 3.42Å; S234-H238 WeakPolarHBondContact O-CB 3.38Å; S234-H238 PolarHBondContact O-N 3.4Å; L235-H238 CarbonylContact O-C 3.58Å; L235-H238 WeakPolarHBondContact O-CA 3.4Å; L235-H238 WeakPolarHBondContact O-CB 3.48Å; L235-H238 PolarHBondContact O-N 3.03Å; L235-H238 VanDerWaalsContact O-N 3.07Å; I236-H238 PolarHBondContact O-N 3.13Å; H238-R240 PolarHBondContact O-N 2.89Å; H238-R241 WeakPolarHBondContact O-CA 3.28Å; H238-R241 WeakPolarHBondContact O-CB 3.43Å; H238-R241 PolarHBondContact O-N 3.2Å; H238-H242 AromaticContact NE2-CD2 3.95Å
239	H	72.6	Confident	74.4	Confident	58 Å²	58	81.1 Å²	81.1	27%	0.269	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-34.2	175.9	-88.7	-126.2	0	0	0	112.4	C222 L235 I236 R241 H242 T243	C222-H239 PolarHBondContact SG-NE2 2.93Å; L235-H239 WeakPolarHBondContact CD1-NE2 3.48Å; L235-H239 PolarHBondContact O-CD2 3.15Å; L235-H239 VanDerWaalsContact O-CD2 3.31Å; L235-H239 PolarHBondContact O-N 3.05Å; I236-H239 PolarHBondContact O-N 3.35Å; I236-H239 VanDerWaalsContact O-N 3.17Å; H239-R241 PolarHBondContact O-N 2.81Å; H239-H242 WeakPolarHBondContact O-CA 3.45Å; H239-H242 WeakPolarHBondContact O-CB 3.42Å; H239-H242 PolarHBondContact O-N 2.59Å; H239-T243 PolarHBondContact O-N 3.5Å
240	R	79.6	Confident	75.1	Confident	55 Å²	55	78.9 Å²	78.9	21%	0.208	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-8.2	170.2	-64.7	177.9	-176.1	170	1.8	114.6	I236 H238 E245 Y248 R258	I236-R240 PolarHBondContact O-N 3.34Å; H238-R240 PolarHBondContact O-N 2.89Å; R240-E245 HydrophobicContact CG-CB 4.34Å; R240-Y248 PolarHBondContact NH1-OH 2.91Å; R240-R258 VanDerWaalsContact O-CD 3.31Å; R240-R258 WeakPolarHBondContact O-CD 3.46Å; R240-R258 PolarHBondContact O-NE 3.36Å
241	R	71.3	Confident	75.5	Confident	151 Å²	151	79.4 Å²	79.4	57%	0.57	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-30.2	167.5	-174	-175.2	167.1	-140.8	-4	112.2	H238 H239	H238-R241 WeakPolarHBondContact O-CA 3.28Å; H238-R241 WeakPolarHBondContact O-CB 3.43Å; H238-R241 PolarHBondContact O-N 3.2Å; H239-R241 PolarHBondContact O-N 2.81Å
242	H	73.3	Confident	75.6	Confident	83 Å²	83	83.2 Å²	83.2	38%	0.384	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-41	-178.5	-61.7	-71.4	0	0	0	112.1	L224 C225 H238 H239 D244	L224-H242 HydrophobicContact CD1-CB 3.67Å; C225-H242 WeakPolarHBondContact CB-NE2 3.34Å; C225-H242 PolarHBondContact SG-NE2 2.88Å; H238-H242 AromaticContact NE2-CD2 3.95Å; H239-H242 WeakPolarHBondContact O-CA 3.45Å; H239-H242 WeakPolarHBondContact O-CB 3.42Å; H239-H242 PolarHBondContact O-N 2.59Å; H242-D244 PolarHBondContact O-N 2.83Å
243	T	69.5	Low	76.1	Confident	73 Å²	73	78.8 Å²	78.8	45%	0.448	39%	0.39	S	S	.	.	S	Bend	trans	-80	-2.1	176.9	62.4	0	0	0	0	113.9	H239 E245	H239-T243 PolarHBondContact O-N 3.5Å; T243-E245 WeakPolarHBondContact CB-OE1 3.18Å; T243-E245 PolarHBondContact O-N 3.24Å; T243-E245 VanDerWaalsContact OG1-CD 3.25Å; T243-E245 WeakPolarHBondContact OG1-CG 3.23Å; T243-E245 PolarHBondContact OG1-OE1 3.25Å
244	D	66.1	Low	76.2	Confident	76 Å²	76	79.3 Å²	79.3	41%	0.406	40%	0.395	S	S	.	.			trans	46.9	9.8	-170.4	-133.2	-57	0	0	0	116.7	H242 R246 R258	H242-D244 PolarHBondContact O-N 2.83Å; D244-R246 WeakPolarHBondContact O-CG 3.47Å; D244-R246 PolarHBondContact O-N 3.29Å; D244-R246 IonicContact OD1-CZ 3.02Å; D244-R246 IonicContact OD1-NE 3.61Å; D244-R246 PolarHBondContact OD1-NE 2.93Å; D244-R246 IonicContact OD1-NH2 3.88Å; D244-R246 PolarHBondContact OD1-NH2 3.17Å; D244-R258 IonicContact OD1-CZ 3.38Å; D244-R258 IonicContact OD1-NE 3.01Å; D244-R258 PolarHBondContact OD1-NE 3Å; D244-R258 IonicContact OD1-NH2 3.47Å; D244-R258 PolarHBondContact OD1-NH2 3.27Å; D244-R258 IonicContact OD2-CZ 2.7Å; D244-R258 IonicContact OD2-NH2 3.78Å; D244-R258 PolarHBondContact OD2-NH2 3.11Å
245	E	74.9	Confident	76.4	Confident	97 Å²	97	83.7 Å²	83.7	45%	0.453	41%	0.411	S	S	.	.			trans	-51.8	130.7	179.6	-78.4	166.3	-119.8	0	0	112.4	R240 T243 P247 R258	R240-E245 HydrophobicContact CG-CB 4.34Å; T243-E245 WeakPolarHBondContact CB-OE1 3.18Å; T243-E245 PolarHBondContact O-N 3.24Å; T243-E245 VanDerWaalsContact OG1-CD 3.25Å; T243-E245 WeakPolarHBondContact OG1-CG 3.23Å; T243-E245 PolarHBondContact OG1-OE1 3.25Å; E245-P247 WeakPolarHBondContact O-CD 3.18Å; E245-R258 WeakPolarHBondContact O-CG 3.46Å
246	R	77.6	Confident	76.7	Confident	122 Å²	122	84.2 Å²	84.2	46%	0.46	42%	0.417	S	S	.	.			trans	-125.3	73.5	178.1	-69.4	152	-172.7	-123.9	15	111	D244 Y248 S256 F257 R258	D244-R246 WeakPolarHBondContact O-CG 3.47Å; D244-R246 PolarHBondContact O-N 3.29Å; D244-R246 IonicContact OD1-CZ 3.02Å; D244-R246 IonicContact OD1-NE 3.61Å; D244-R246 PolarHBondContact OD1-NE 2.93Å; D244-R246 IonicContact OD1-NH2 3.88Å; D244-R246 PolarHBondContact OD1-NH2 3.17Å; R246-Y248 PolarHBondContact O-N 2.73Å; R246-S256 WeakPolarHBondContact CD-O 3.24Å; R246-S256 PolarHBondContact NH1-O 3.07Å; R246-F257 CarbonylContact C-O 3.55Å; R246-F257 VanDerWaalsContact C-O 3.25Å; R246-F257 VanDerWaalsContact CA-O 3.26Å; R246-F257 WeakPolarHBondContact CA-O 3.33Å; R246-R258 HydrophobicContact CG-CG 3.78Å
247	P	78.3	Confident	76.9	Confident	64 Å²	64	82.3 Å²	82.3	42%	0.416	41%	0.406	S	S	.	.			trans	-62.9	-25.8	-173.7	-23.1	35	0	0	0	113.8	E245 K249	E245-P247 WeakPolarHBondContact O-CD 3.18Å; P247-K249 PolarHBondContact O-N 2.77Å
248	Y	80.6	Confident	77.1	Confident	73 Å²	73	80.4 Å²	80.4	29%	0.286	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	92.6	-171.6	-51	-75.8	0	0	0	110.4	R240 R246 F257 S260	R240-Y248 PolarHBondContact NH1-OH 2.91Å; R246-Y248 PolarHBondContact O-N 2.73Å; Y248-F257 WeakPolarHBondContact CD2-O 3.2Å; Y248-F257 PolarHBondContact N-O 3.4Å; Y248-F257 VanDerWaalsContact N-O 3.15Å; Y248-F257 PolarHBondContact O-N 3.43Å; Y248-S260 VanDerWaalsContact CD2-N 3.3Å; Y248-S260 VanDerWaalsContact CE2-N 3.35Å
249	K	76.3	Confident	77.3	Confident	153 Å²	153	83.2 Å²	83.2	67%	0.665	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.3	178.4	-52.7	-165.1	178.7	176.2	0	111.6	P247 S256	P247-K249 PolarHBondContact O-N 2.77Å; K249-S256 WeakPolarHBondContact CG-OG 3.42Å
250	C	86.3	Confident	77.6	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.014	42%	0.42	C	S	.	.			trans	-85.4	111.3	173.8	-178.9	0	0	0	0	111	K252 C253 G254 K255 F257 L263	C250-K252 PolarHBondContact O-N 2.81Å; C250-C253 PolarHBondContact O-N 3.14Å; C250-G254 WeakPolarHBondContact O-CA 3.5Å; C250-G254 PolarHBondContact O-N 2.89Å; C250-K255 WeakPolarHBondContact CB-O 3.28Å; C250-K255 PolarHBondContact N-O 2.94Å; C250-F257 HydrophobicContact CB-CE2 4.23Å; C250-L263 HydrophobicContact CB-CD1 3.61Å
251	S	77.9	Confident	77.8	Confident	117 Å²	117	83 Å²	83	82%	0.818	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.9	176.2	50.4	0	0	0	0	113.6
252	K	72.1	Confident	78.2	Confident	154 Å²	154	76.7 Å²	76.7	67%	0.67	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.8	-178.3	-67.4	-162.6	174.1	-164.7	0	116.3	C250 L270	C250-K252 PolarHBondContact O-N 2.81Å; K252-L270 HydrophobicContact CB-CD1 3.99Å
253	C	80.3	Confident	78.7	Confident	51 Å²	51	73.9 Å²	73.9	35%	0.345	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.6	18.5	-178.9	75.7	0	0	0	0	115.9	C250 K255 H266	C250-C253 PolarHBondContact O-N 3.14Å; C253-K255 PolarHBondContact O-N 2.8Å; C253-K255 VanDerWaalsContact SG-CD 3.54Å; C253-H266 PolarHBondContact SG-NE2 3.04Å
254	G	78.1	Confident	79.2	Confident	55 Å²	55	73.9 Å²	73.9	57%	0.567	40%	0.4	S	S	*	.			trans	69.6	-17.5	176.3	0	0	0	0	0	116.7	C250 S256	C250-G254 WeakPolarHBondContact O-CA 3.5Å; C250-G254 PolarHBondContact O-N 2.89Å; G254-S256 PolarHBondContact O-N 3.32Å; G254-S256 PolarHBondContact O-OG 3.29Å
255	K	79.6	Confident	79.9	Confident	117 Å²	117	79 Å²	79	51%	0.509	41%	0.413	S	S	.	.			trans	-57	126.7	-176.1	-68.8	173.2	-165.1	141.7	0	111.1	C250 C253 F257	C250-K255 WeakPolarHBondContact CB-O 3.28Å; C250-K255 PolarHBondContact N-O 2.94Å; C253-K255 PolarHBondContact O-N 2.8Å; C253-K255 VanDerWaalsContact SG-CD 3.54Å; K255-F257 HydrophobicContact CB-CE2 3.65Å; K255-F257 HydrophobicContact CB-CZ 3.86Å; K255-F257 WeakPolarHBondContact O-CD2 3.28Å; K255-F257 VanDerWaalsContact O-CE2 3.23Å; K255-F257 WeakPolarHBondContact O-CE2 3.35Å
256	S	84.6	Confident	80.1	Confident	37 Å²	37	75.5 Å²	75.5	26%	0.259	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.1	-174.8	-57.7	0	0	0	0	110.9	R246 K249 G254	R246-S256 WeakPolarHBondContact CD-O 3.24Å; R246-S256 PolarHBondContact NH1-O 3.07Å; K249-S256 WeakPolarHBondContact CG-OG 3.42Å; G254-S256 PolarHBondContact O-N 3.32Å; G254-S256 PolarHBondContact O-OG 3.29Å
257	F	81.3	Confident	80.1	Confident	45 Å²	45	72.7 Å²	72.7	20%	0.197	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.3	-171.8	-60.3	-92.9	0	0	0	112.2	R246 Y248 C250 K255 E259 A262 L263 H266	R246-F257 CarbonylContact C-O 3.55Å; R246-F257 VanDerWaalsContact C-O 3.25Å; R246-F257 VanDerWaalsContact CA-O 3.26Å; R246-F257 WeakPolarHBondContact CA-O 3.33Å; Y248-F257 WeakPolarHBondContact CD2-O 3.2Å; Y248-F257 PolarHBondContact N-O 3.4Å; Y248-F257 VanDerWaalsContact N-O 3.15Å; Y248-F257 PolarHBondContact O-N 3.43Å; C250-F257 HydrophobicContact CB-CE2 4.23Å; K255-F257 HydrophobicContact CB-CE2 3.65Å; K255-F257 HydrophobicContact CB-CZ 3.86Å; K255-F257 WeakPolarHBondContact O-CD2 3.28Å; K255-F257 VanDerWaalsContact O-CE2 3.23Å; K255-F257 WeakPolarHBondContact O-CE2 3.35Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-A262 HydrophobicContact CB-CB 4.33Å; F257-A262 HydrophobicContact CD1-CB 3.98Å; F257-A262 HydrophobicContact CG-CB 4.47Å; F257-L263 HydrophobicContact CB-CB 4.38Å; F257-L263 HydrophobicContact CD2-CB 4.09Å; F257-L263 HydrophobicContact CD2-CD1 3.93Å; F257-L263 HydrophobicContact CE2-CD1 4.1Å; F257-L263 HydrophobicContact CG-CB 4.34Å; F257-H266 HydrophobicContact CE1-CB 4.06Å; F257-H266 HydrophobicContact CE2-CB 4.14Å; F257-H266 AromaticContact CE2-CD2 3.26Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.2Å; F257-H266 AromaticContact CE2-CG 3.85Å; F257-H266 HydrophobicContact CZ-CB 3.63Å; F257-H266 AromaticContact CZ-CD2 3.24Å; F257-H266 WeakPolarHBondContact CZ-CD2 3.4Å; F257-H266 AromaticContact CZ-CG 3.37Å; F257-H266 AromaticContact CZ-NE2 3.93Å
258	R	82.1	Confident	80.1	Confident	78 Å²	78	77.2 Å²	77.2	29%	0.294	40%	0.404	S	S	.	.	S	Bend	trans	-76.1	-18.9	178	-55.6	-176.7	177.5	167.3	-0.7	113.5	R240 D244 E245 R246	R240-R258 VanDerWaalsContact O-CD 3.31Å; R240-R258 WeakPolarHBondContact O-CD 3.46Å; R240-R258 PolarHBondContact O-NE 3.36Å; D244-R258 IonicContact OD1-CZ 3.38Å; D244-R258 IonicContact OD1-NE 3.01Å; D244-R258 PolarHBondContact OD1-NE 3Å; D244-R258 IonicContact OD1-NH2 3.47Å; D244-R258 PolarHBondContact OD1-NH2 3.27Å; D244-R258 IonicContact OD2-CZ 2.7Å; D244-R258 IonicContact OD2-NH2 3.78Å; D244-R258 PolarHBondContact OD2-NH2 3.11Å; E245-R258 WeakPolarHBondContact O-CG 3.46Å; R246-R258 HydrophobicContact CG-CG 3.78Å
259	E	81.3	Confident	79.4	Confident	86 Å²	86	76.8 Å²	76.8	40%	0.402	41%	0.411	S	S	.	.	S	Bend	trans	-134.4	140.6	-174.9	-62.5	-179	176.3	0	0	112.1	R237 F257 A262 L263	R237-E259 VanDerWaalsContact CD-OE1 3.28Å; R237-E259 WeakPolarHBondContact CD-OE1 3.22Å; R237-E259 HydrophobicContact CG-CG 4Å; R237-E259 WeakPolarHBondContact CG-OE1 3.17Å; R237-E259 IonicContact NE-OE1 3.94Å; F257-E259 VanDerWaalsContact C-N 3.33Å; E259-A262 HydrophobicContact CB-CB 4.14Å; E259-A262 WeakPolarHBondContact O-CB 3.23Å; E259-A262 PolarHBondContact O-N 3.32Å; E259-L263 PolarHBondContact O-N 3.27Å
260	S	79.8	Confident	79	Confident	65 Å²	65	71 Å²	71	46%	0.455	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-45.5	177.8	51.7	0	0	0	0	112.1	Y248 A262 L263 T264	Y248-S260 VanDerWaalsContact CD2-N 3.3Å; Y248-S260 VanDerWaalsContact CE2-N 3.35Å; S260-A262 PolarHBondContact O-N 2.82Å; S260-L263 CarbonylContact O-C 3.56Å; S260-L263 WeakPolarHBondContact O-CA 3.46Å; S260-L263 WeakPolarHBondContact O-CB 3.41Å; S260-L263 PolarHBondContact O-N 2.86Å; S260-T264 PolarHBondContact O-N 2.97Å; S260-T264 PolarHBondContact O-OG1 3.18Å; S260-T264 VanDerWaalsContact O-OG1 3.1Å
261	G	81.9	Confident	77.8	Confident	44 Å²	44	75 Å²	75	45%	0.454	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-27.1	176.9	0	0	0	0	0	113.9	R265	G261-R265 WeakPolarHBondContact O-CB 3.45Å; G261-R265 PolarHBondContact O-N 2.83Å
262	A	80.9	Confident	76.6	Confident	18 Å²	18	74.7 Å²	74.7	15%	0.149	41%	0.407	C	S	.	.	H	α-helix	trans	-71.5	-42.3	171.6	0	0	0	0	0	111.5	F257 E259 S260 H266	F257-A262 HydrophobicContact CB-CB 4.33Å; F257-A262 HydrophobicContact CD1-CB 3.98Å; F257-A262 HydrophobicContact CG-CB 4.47Å; E259-A262 HydrophobicContact CB-CB 4.14Å; E259-A262 WeakPolarHBondContact O-CB 3.23Å; E259-A262 PolarHBondContact O-N 3.32Å; S260-A262 PolarHBondContact O-N 2.82Å; A262-H266 VanDerWaalsContact O-CB 3.31Å; A262-H266 WeakPolarHBondContact O-CB 3.35Å; A262-H266 PolarHBondContact O-N 2.69Å
263	L	83.1	Confident	74.9	Confident	25 Å²	25	73.4 Å²	73.4	13%	0.131	42%	0.416	C	S	.	.	H	α-helix	trans	-62.4	-45.6	171	175	61.8	0	0	0	111.6	C250 F257 E259 S260 R265 H266 L267	C250-L263 HydrophobicContact CB-CD1 3.61Å; F257-L263 HydrophobicContact CB-CB 4.38Å; F257-L263 HydrophobicContact CD2-CB 4.09Å; F257-L263 HydrophobicContact CD2-CD1 3.93Å; F257-L263 HydrophobicContact CE2-CD1 4.1Å; F257-L263 HydrophobicContact CG-CB 4.34Å; E259-L263 PolarHBondContact O-N 3.27Å; S260-L263 CarbonylContact O-C 3.56Å; S260-L263 WeakPolarHBondContact O-CA 3.46Å; S260-L263 WeakPolarHBondContact O-CB 3.41Å; S260-L263 PolarHBondContact O-N 2.86Å; L263-R265 PolarHBondContact O-N 2.83Å; L263-H266 CarbonylContact O-C 3.5Å; L263-H266 WeakPolarHBondContact O-CA 3.49Å; L263-H266 WeakPolarHBondContact O-CB 3.34Å; L263-H266 PolarHBondContact O-N 3.41Å; L263-H266 VanDerWaalsContact O-N 3.09Å; L263-L267 HydrophobicContact CD1-CD1 4Å; L263-L267 HydrophobicContact CD1-CD2 4.43Å; L263-L267 HydrophobicContact CD1-CG 3.9Å; L263-L267 HydrophobicContact CD2-CD1 4.48Å; L263-L267 HydrophobicContact CG-CD1 3.89Å; L263-L267 HydrophobicContact CG-CG 4.27Å; L263-L267 WeakPolarHBondContact O-CG 3.24Å; L263-L267 PolarHBondContact O-N 2.9Å
264	T	80.9	Confident	73.2	Confident	72 Å²	72	76.3 Å²	76.3	44%	0.442	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-44.4	178.6	-50.4	0	0	0	0	111.8	S260 H266 L267 K268	S260-T264 PolarHBondContact O-N 2.97Å; S260-T264 PolarHBondContact O-OG1 3.18Å; S260-T264 VanDerWaalsContact O-OG1 3.1Å; T264-H266 VanDerWaalsContact C-N 3.29Å; T264-H266 PolarHBondContact O-N 3.36Å; T264-L267 PolarHBondContact O-N 3.21Å; T264-K268 HydrophobicContact CG2-CD 4.49Å; T264-K268 WeakPolarHBondContact O-CB 3.47Å; T264-K268 WeakPolarHBondContact O-CG 3.49Å; T264-K268 PolarHBondContact O-N 3.13Å
265	R	79.6	Confident	71.6	Confident	185 Å²	185	81.1 Å²	81.1	70%	0.698	44%	0.44	S	S	*	.	H	α-helix	trans	-62.6	-37.3	173.8	175	171.2	52.8	-177.7	-8.1	111.8	G261 L263 K268 S269	G261-R265 WeakPolarHBondContact O-CB 3.45Å; G261-R265 PolarHBondContact O-N 2.83Å; L263-R265 PolarHBondContact O-N 2.83Å; R265-K268 PolarHBondContact O-N 3Å; R265-S269 PolarHBondContact O-N 3.26Å; R265-S269 VanDerWaalsContact O-N 3.09Å
266	H	80.3	Confident	69.9	Low	22 Å²	22	84.4 Å²	84.4	10%	0.102	46%	0.455	C	S	.	.	H	α-helix	trans	-69.5	-44	177.1	172.5	49.2	0	0	0	112.7	C253 F257 A262 L263 T264 K268 S269 L270	C253-H266 PolarHBondContact SG-NE2 3.04Å; F257-H266 HydrophobicContact CE1-CB 4.06Å; F257-H266 HydrophobicContact CE2-CB 4.14Å; F257-H266 AromaticContact CE2-CD2 3.26Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.2Å; F257-H266 AromaticContact CE2-CG 3.85Å; F257-H266 HydrophobicContact CZ-CB 3.63Å; F257-H266 AromaticContact CZ-CD2 3.24Å; F257-H266 WeakPolarHBondContact CZ-CD2 3.4Å; F257-H266 AromaticContact CZ-CG 3.37Å; F257-H266 AromaticContact CZ-NE2 3.93Å; A262-H266 VanDerWaalsContact O-CB 3.31Å; A262-H266 WeakPolarHBondContact O-CB 3.35Å; A262-H266 PolarHBondContact O-N 2.69Å; L263-H266 CarbonylContact O-C 3.5Å; L263-H266 WeakPolarHBondContact O-CA 3.49Å; L263-H266 WeakPolarHBondContact O-CB 3.34Å; L263-H266 PolarHBondContact O-N 3.41Å; L263-H266 VanDerWaalsContact O-N 3.09Å; T264-H266 VanDerWaalsContact C-N 3.29Å; T264-H266 PolarHBondContact O-N 3.36Å; H266-K268 VanDerWaalsContact C-N 3.28Å; H266-K268 PolarHBondContact O-N 3.14Å; H266-S269 WeakPolarHBondContact CA-OG 3.43Å; H266-S269 CarbonylContact O-C 3.58Å; H266-S269 WeakPolarHBondContact O-CA 3.47Å; H266-S269 PolarHBondContact O-N 2.75Å; H266-S269 PolarHBondContact O-OG 3.33Å; H266-L270 PolarHBondContact O-N 3.48Å; H266-L270 VanDerWaalsContact O-N 3.07Å
267	L	77.4	Confident	67.8	Low	64 Å²	64	90.7 Å²	90.7	34%	0.335	48%	0.484	S	S	.	.	H	α-helix	trans	-60	-40.1	173.2	-70.4	169	0	0	0	111.1	L263 T264 S269 L270 T271	L263-L267 HydrophobicContact CD1-CD1 4Å; L263-L267 HydrophobicContact CD1-CD2 4.43Å; L263-L267 HydrophobicContact CD1-CG 3.9Å; L263-L267 HydrophobicContact CD2-CD1 4.48Å; L263-L267 HydrophobicContact CG-CD1 3.89Å; L263-L267 HydrophobicContact CG-CG 4.27Å; L263-L267 WeakPolarHBondContact O-CG 3.24Å; L263-L267 PolarHBondContact O-N 2.9Å; T264-L267 PolarHBondContact O-N 3.21Å; L267-S269 PolarHBondContact O-N 3.32Å; L267-L270 CarbonylContact O-C 3.46Å; L267-L270 PolarHBondContact O-N 3.3Å; L267-T271 PolarHBondContact O-N 3.14Å; L267-T271 VanDerWaalsContact O-N 3.11Å
268	K	77.8	Confident	65.4	Low	159 Å²	159	99.9 Å²	99.9	69%	0.691	52%	0.517	S	S	*	.	H	α-helix	trans	-66.2	-18.9	171.9	-71.9	-179.2	177	-169.9	0	114.3	T264 R265 H266 T271	T264-K268 HydrophobicContact CG2-CD 4.49Å; T264-K268 WeakPolarHBondContact O-CB 3.47Å; T264-K268 WeakPolarHBondContact O-CG 3.49Å; T264-K268 PolarHBondContact O-N 3.13Å; R265-K268 PolarHBondContact O-N 3Å; H266-K268 VanDerWaalsContact C-N 3.28Å; H266-K268 PolarHBondContact O-N 3.14Å; K268-T271 WeakPolarHBondContact CA-OG1 3.35Å; K268-T271 PolarHBondContact O-OG1 3.25Å
269	S	65.9	Low	63.1	Low	63 Å²	63	106.6 Å²	106.6	44%	0.441	55%	0.548	S	S	.	.	H	α-helix	trans	-90	-8.5	168.7	66.8	0	0	0	0	114.2	R265 H266 L267	R265-S269 PolarHBondContact O-N 3.26Å; R265-S269 VanDerWaalsContact O-N 3.09Å; H266-S269 WeakPolarHBondContact CA-OG 3.43Å; H266-S269 CarbonylContact O-C 3.58Å; H266-S269 WeakPolarHBondContact O-CA 3.47Å; H266-S269 PolarHBondContact O-N 2.75Å; H266-S269 PolarHBondContact O-OG 3.33Å; L267-S269 PolarHBondContact O-N 3.32Å
270	L	67.4	Low	60.5	Low	31 Å²	31	107.8 Å²	107.8	16%	0.162	57%	0.567	C	S	.	*	H	α-helix	trans	-100.2	-5.9	172.2	-66.9	-178.3	0	0	0	112.7	K252 H266 L267	K252-L270 HydrophobicContact CB-CD1 3.99Å; H266-L270 PolarHBondContact O-N 3.48Å; H266-L270 VanDerWaalsContact O-N 3.07Å; L267-L270 CarbonylContact O-C 3.46Å; L267-L270 PolarHBondContact O-N 3.3Å
271	T	62.4	Low	58.1	Low	87 Å²	87	110.6 Å²	110.6	53%	0.534	58%	0.581	S	S	.	*	S	Bend	trans	-71.7	134	160	30.8	0	0	0	0	109.4	L267 K268 C273	L267-T271 PolarHBondContact O-N 3.14Å; L267-T271 VanDerWaalsContact O-N 3.11Å; K268-T271 WeakPolarHBondContact CA-OG1 3.35Å; K268-T271 PolarHBondContact O-OG1 3.25Å; T271-C273 PolarHBondContact O-N 3.27Å
272	P	52.4	Low	55.5	Low	111 Å²	111	114.8 Å²	114.8	72%	0.721	60%	0.603	S	S	*	*	S	Bend	trans	-79.1	119.1	-150.5	28.6	-36.3	0	0	0	113.9
273	C	36.8	Very low	53.3	Low	126 Å²	126	121.7 Å²	121.7	85%	0.851	63%	0.629	S	S	*	*	S	Bend	trans	-157.5	-2.7	157.1	-121.9	0	0	0	0	114.2	T271	T271-C273 PolarHBondContact O-N 3.27Å
274	T	44.1	Very low	50.7	Low	113 Å²	113	128.1 Å²	128.1	69%	0.693	66%	0.664	S	S	*	*			trans	-138.8	19.5	-175.3	51.7	0	0	0	0	114.9	K276	T274-K276 PolarHBondContact O-N 3.29Å
275	E	44.3	Very low	48.4	Very low	155 Å²	155	130.1 Å²	130.1	72%	0.724	68%	0.676	S	S	*	*			trans	-79.6	50.1	172.3	-64.4	-161.4	135.6	0	0	112.8
276	K	43.3	Very low	46	Very low	187 Å²	187	127.9 Å²	127.9	81%	0.813	68%	0.682	S	S	*	*			trans	-117	144.5	156.3	-72.1	-172.5	176.9	-177.3	0	107.7	T274	T274-K276 PolarHBondContact O-N 3.29Å
277	I	41.7	Very low	43.5	Very low	169 Å²	169	132.9 Å²	132.9	87%	0.867	71%	0.714	S	S	*	*	S	Bend	trans	75.5	73.2	-174.1	-43.6	156.2	0	0	0	114.2
278	R	30.9	Very low	41.2	Very low	238 Å²	238	135.3 Å²	135.3	90%	0.898	74%	0.737	S	S	*	*				-164.1	51.5	128.8	-113.6	-177.7	-166.4	-160.3	4	115.8
279	F	32.4	Very low	39	Very low	218 Å²	218	136.7 Å²	136.7	96%	0.956	74%	0.743	S	S	*	*			trans	-126.9	120.5	155.8	-83.9	-80	0	0	0	109.9
280	S	26.8	Very low	37.4	Very low	112 Å²	112	140.3 Å²	140.3	78%	0.783	75%	0.753	S	S	*	*			trans	-147.2	85.5	168.6	60.3	0	0	0	0	108.1
281	V	29.5	Very low	35.4	Very low	124 Å²	124	146.5 Å²	146.5	75%	0.752	79%	0.786	S	S	*	*			trans	39.7	107.5	139.3	-175.2	0	0	0	0	116.7	K283	V281-K283 HydrophobicContact CG1-CB 3.66Å
282	S	28.5	Very low	33.6	Very low	131 Å²	131	146.5 Å²	146.5	92%	0.916	80%	0.795	S	S	*	*			trans	-105.8	104.2	137.4	-61.6	0	0	0	0	106.4
283	K	34.3	Very low	33.4	Very low	163 Å²	163	147.1 Å²	147.1	71%	0.709	80%	0.799	S	S	*	*			trans	-133.3	92	174	-178.7	-168.5	174.5	-178	0	107.6	V281 V285	V281-K283 HydrophobicContact CG1-CB 3.66Å; K283-V285 HydrophobicContact CG-CG2 4.2Å
284	D	28	Very low	32.8	Very low	161 Å²	161	146 Å²	146	86%	0.861	80%	0.799	S	S	*	*			trans	-103.5	131.5	159.5	-69.9	-62.4	0	0	0	107.9
285	V	32.3	Very low	32	Very low	113 Å²	113	144.1 Å²	144.1	69%	0.685	80%	0.802	S	S	*	*			trans	-133.9	112.7	174.7	172.5	0	0	0	0	106.4	K283	K283-V285 HydrophobicContact CG-CG2 4.2Å
286	V	29.2	Very low	31.4	Very low	138 Å²	138	143.2 Å²	143.2	84%	0.836	81%	0.813	S	S	*	*			trans	-129.6	101.9	165.9	-178	0	0	0	0	108.7
287	V	28.1	Very low	30.6	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	81%	0.805	S	S	*	*			trans	28.5	126.5	143.7	-170.1	0	0	0	0	119.3
288	S	30	Very low	30	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	81%	0.81	S	S	*	*			trans	-57.5	160	173.5	-32.4	0	0	0	0	116.1
289	K	30.3	Very low	29.9	Very low	187 Å²	187	127.2 Å²	127.2	81%	0.813	81%	0.805	S	S	*	*				-145.1	154.7	123.8	-154.9	169.9	-179.9	-174.8	0	111.8
290	E	32.3	Very low	29.8	Very low	139 Å²	139	121.3 Å²	121.3	65%	0.65	80%	0.797	S	S	*	*			trans	-77.4	152.6	-177.9	61.5	-94.9	68.8	0	0	115.1
291	D	25.1	Very low	29.9	Very low	161 Å²	161	120.3 Å²	120.3	86%	0.861	80%	0.796	S	S	*	*				-178.7	163.9	120.4	-103.1	-41.6	0	0	0	113
292	A	25.4	Very low	30.1	Very low	88 Å²	88	120.6 Å²	120.6	73%	0.727	80%	0.797	S	S	*	*			trans	-159.7	-178.9	178.3	0	0	0	0	0	110.1
293	P	48	Very low	30.3	Very low	123 Å²	123	121.6 Å²	121.6	80%	0.799	79%	0.792	S	S	*	*			cis	-135.9	-159.8	-8.1	40.1	-19.6	0	0	0	114.2
294	A	25.4	Very low	30	Very low	103 Å²	103	116.8 Å²	116.8	85%	0.851	79%	0.789	S	S	*	*			trans	98.6	148	146.4	0	0	0	0	0	122.3
295	G	26.2	Very low	30.1	Very low	74 Å²	74	114.4 Å²	114.4	76%	0.763	78%	0.78	S	S	*	*			trans	92.4	100.7	177.4	0	0	0	0	0	113.9
296	S	31.3	Very low	30	Very low	135 Å²	135	115.1 Å²	115.1	94%	0.944	78%	0.784	S	S	*	*			cis	73.2	127.4	40.6	-157.8	0	0	0	0	114
297	G	27.8	Very low	29.8	Very low	64 Å²	64	114.6 Å²	114.6	66%	0.66	78%	0.781	S	S	*	*			cis	174.4	-161.2	0.7	0	0	0	0	0	114
298	A	29.1	Very low	29.8	Very low	116 Å²	116	113.4 Å²	113.4	96%	0.959	78%	0.779	S	S	*	*			trans	68	150.2	-178	0	0	0	0	0	116.6
299	G	28.2	Very low	29.7	Very low	78 Å²	78	113.7 Å²	113.7	80%	0.804	78%	0.781	S	S	*	*			cis	175.8	160.7	-5.5	0	0	0	0	0	108.7
300	A	29.8	Very low	29.8	Very low	94 Å²	94	111.5 Å²	111.5	78%	0.777	78%	0.783	S	S	*	*			cis	-145.1	150.8	6	0	0	0	0	0	108.9
301	A	30.1	Very low	29.7	Very low	92 Å²	92	111.6 Å²	111.6	76%	0.76	79%	0.793	S	S	*	*				62.8	151.3	89.1	0	0	0	0	0	114.7
302	T	32.7	Very low	30	Very low	129 Å²	129	107.1 Å²	107.1	79%	0.791	79%	0.785	S	S	*	*			cis	-155.4	160.5	14.2	35	0	0	0	0	108.7
303	L	33	Very low	30.3	Very low	153 Å²	153	112.2 Å²	112.2	80%	0.801	79%	0.794	S	S	*	*			cis	-169.3	176.6	-25.8	-131.9	179.7	0	0	0	106.7	T305	L303-T305 HydrophobicContact CD2-CG2 4.06Å
304	G	27.7	Very low	29.9	Very low	62 Å²	62	112 Å²	112	64%	0.639	79%	0.792	S	S	*	*			trans	157.4	45.9	172.8	0	0	0	0	0	117
305	T	30.3	Very low	30.2	Very low	110 Å²	110	114.8 Å²	114.8	68%	0.675	79%	0.791	S	S	*	*				40.8	125.1	108.3	56.3	0	0	0	0	115.6	L303	L303-T305 HydrophobicContact CD2-CG2 4.06Å
306	V	29.2	Very low	30.5	Very low	128 Å²	128	120.2 Å²	120.2	78%	0.776	80%	0.797	S	S	*	*			cis	-148	-167.2	8.5	-104.7	0	0	0	0	108.3
307	T	26	Very low	30.6	Very low	127 Å²	127	120 Å²	120	78%	0.779	79%	0.79	S	S	*	*			cis	-161.7	178	28.5	-30.8	0	0	0	0	112.2
308	S	27.8	Very low	30.8	Very low	103 Å²	103	122.2 Å²	122.2	72%	0.72	80%	0.796	S	S	*	*			trans	-57.1	171.8	173.8	-40.1	0	0	0	0	114.9
309	S	28.5	Very low	31.2	Very low	121 Å²	121	120.6 Å²	120.6	85%	0.846	78%	0.775	S	S	*	*			cis	-155.2	177.4	20.4	-36.8	0	0	0	0	113.7
310	V	32.7	Very low	31.7	Very low	141 Å²	141	122.5 Å²	122.5	86%	0.855	77%	0.771	S	S	*	*			trans	-78	132.3	176.3	174.3	0	0	0	0	113.5
311	T	28.5	Very low	32.2	Very low	142 Å²	142	121.9 Å²	121.9	87%	0.871	75%	0.754	S	S	*	*			trans	-159.3	157.5	140.1	29.3	0	0	0	0	108.9
312	G	33.2	Very low	32.7	Very low	67 Å²	67	124.3 Å²	124.3	69%	0.691	75%	0.749	S	S	*	*			trans	-108.2	-168.9	178.4	0	0	0	0	0	114.3
313	E	30.6	Very low	33.2	Very low	194 Å²	194	122.7 Å²	122.7	91%	0.907	74%	0.735	S	S	*	*			trans	73.8	162.4	-176.3	-43.8	-149.5	131.5	0	0	114.4
314	P	38.9	Very low	33.8	Very low	119 Å²	119	120.1 Å²	120.1	77%	0.773	73%	0.726	S	S	*	*				-119.1	167.4	-87	26	-7.9	0	0	0	114.4
315	I	32.4	Very low	34.9	Very low	162 Å²	162	121 Å²	121	83%	0.831	72%	0.718	S	S	*	*			trans	-79.7	119.5	-178.5	-61.1	167.4	0	0	0	110.6	T317	I315-T317 PolarHBondContact O-N 3.08Å
316	E	31.7	Very low	35.9	Very low	187 Å²	187	118.6 Å²	118.6	87%	0.874	70%	0.702	S	S	*	*			trans	-70	124.8	166.1	-67.7	-170.3	130.9	0	0	110.9	S318	E316-S318 PolarHBondContact O-N 3.11Å
317	T	34.1	Very low	36.8	Very low	132 Å²	132	117.9 Å²	117.9	81%	0.81	71%	0.709	S	S	*	*			trans	-86	110	176.9	52.4	0	0	0	0	111.3	I315	I315-T317 PolarHBondContact O-N 3.08Å
318	S	32.8	Very low	38	Very low	110 Å²	110	120.9 Å²	120.9	77%	0.769	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-65.7	139.5	172.1	-48.5	0	0	0	0	111.8	E316	E316-S318 PolarHBondContact O-N 3.11Å
319	P	36.6	Very low	39.1	Very low	81 Å²	81	118.5 Å²	118.5	53%	0.526	70%	0.702	S	S	.	*	P	Polyproline II helix	trans	-75	151.7	-177.2	30.5	-35.6	0	0	0	113.1
320	V	40.1	Very low	40.3	Very low	118 Å²	118	116.8 Å²	116.8	72%	0.715	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-84.9	119.9	176.7	178.4	0	0	0	0	110.3
321	I	40	Very low	41.1	Very low	81 Å²	81	113.3 Å²	113.3	42%	0.415	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-92.7	126.1	178.1	-46.6	177.3	0	0	0	109.9	L323	I321-L323 HydrophobicContact CB-CD1 4.17Å; I321-L323 HydrophobicContact CG2-CD1 3.7Å; I321-L323 HydrophobicContact CG2-CG 4.48Å
322	H	40.6	Very low	42.3	Very low	144 Å²	144	112 Å²	112	67%	0.667	65%	0.653	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.7	111.5	169.5	-90.6	-83	0	0	0	110.7
323	L	42.3	Very low	42.6	Very low	94 Å²	94	115.4 Å²	115.4	49%	0.492	65%	0.65	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.5	135.2	173.8	-68.1	82	0	0	0	110.2	I321 V331	I321-L323 HydrophobicContact CB-CD1 4.17Å; I321-L323 HydrophobicContact CG2-CD1 3.7Å; I321-L323 HydrophobicContact CG2-CG 4.48Å; L323-V331 HydrophobicContact CB-CG1 4.3Å; L323-V331 HydrophobicContact CD2-CG1 4.07Å; L323-V331 HydrophobicContact CD2-CG2 3.94Å; L323-V331 HydrophobicContact CG-CG1 4.38Å
324	V	46.1	Very low	43.1	Very low	100 Å²	100	111.6 Å²	111.6	61%	0.606	63%	0.632	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112	120.6	172.5	-178.5	0	0	0	0	109.7	I332	V324-I332 PolarHBondContact O-N 2.98Å
325	T	50.3	Low	43.2	Very low	80 Å²	80	110.2 Å²	110.2	49%	0.491	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.4	148.6	178.7	56.7	0	0	0	0	112.8	T330 V331	T325-T330 CarbonylContact C-O 3.55Å; T325-T330 WeakPolarHBondContact CA-O 3.46Å; T325-V331 HydrophobicContact CG2-CB 4.42Å; T325-V331 HydrophobicContact CG2-CG2 3.74Å
326	D	51.5	Low	43.4	Very low	60 Å²	60	108 Å²	108	32%	0.321	61%	0.608	S	S	.	*			trans	-74.5	179	171.9	89.4	-33.8	0	0	0	113.5	K328 G329 T330 I332	D326-K328 PolarHBondContact O-N 3.02Å; D326-K328 VanDerWaalsContact O-N 3.09Å; D326-K328 WeakPolarHBondContact OD1-CA 3.16Å; D326-K328 PolarHBondContact OD1-N 2.92Å; D326-G329 PolarHBondContact O-N 2.95Å; D326-G329 PolarHBondContact OD1-N 3.15Å; D326-T330 PolarHBondContact N-O 3.34Å; D326-T330 PolarHBondContact OD1-N 3.47Å; D326-T330 PolarHBondContact OD1-OG1 3.28Å; D326-T330 VanDerWaalsContact OD1-OG1 3.13Å; D326-I332 HydrophobicContact CB-CD1 3.93Å
327	A	47.4	Very low	43.5	Very low	112 Å²	112	104.5 Å²	104.5	93%	0.926	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-0.9	178.7	0	0	0	0	0	114.6
328	K	52	Low	43.4	Very low	191 Å²	191	107 Å²	107	83%	0.83	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-2.5	171.1	-67	-178.9	176.9	178.4	0	113	D326	D326-K328 PolarHBondContact O-N 3.02Å; D326-K328 VanDerWaalsContact O-N 3.09Å; D326-K328 WeakPolarHBondContact OD1-CA 3.16Å; D326-K328 PolarHBondContact OD1-N 2.92Å
329	G	50.3	Low	43.4	Very low	52 Å²	52	110 Å²	110	54%	0.536	61%	0.605	S	S	.	*	S	Bend	trans	92.2	10.2	177.3	0	0	0	0	0	115.1	D326	D326-G329 PolarHBondContact O-N 2.95Å; D326-G329 PolarHBondContact OD1-N 3.15Å
330	T	54.7	Low	43.1	Very low	85 Å²	85	115 Å²	115	52%	0.521	62%	0.621	S	S	.	*			trans	-81.7	125.8	178.5	-29.6	0	0	0	0	109.5	T325 D326	T325-T330 CarbonylContact C-O 3.55Å; T325-T330 WeakPolarHBondContact CA-O 3.46Å; D326-T330 PolarHBondContact N-O 3.34Å; D326-T330 PolarHBondContact OD1-N 3.47Å; D326-T330 PolarHBondContact OD1-OG1 3.28Å; D326-T330 VanDerWaalsContact OD1-OG1 3.13Å
331	V	48.8	Very low	42.8	Very low	68 Å²	68	117.6 Å²	117.6	41%	0.412	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.8	133.9	174.2	-177.3	0	0	0	0	109	L323 T325	L323-V331 HydrophobicContact CB-CG1 4.3Å; L323-V331 HydrophobicContact CD2-CG1 4.07Å; L323-V331 HydrophobicContact CD2-CG2 3.94Å; L323-V331 HydrophobicContact CG-CG1 4.38Å; T325-V331 HydrophobicContact CG2-CB 4.42Å; T325-V331 HydrophobicContact CG2-CG2 3.74Å
332	I	53.8	Low	42.2	Very low	116 Å²	116	121.4 Å²	121.4	60%	0.595	65%	0.646	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.6	-38.2	-176	-62.6	-174.5	0	0	0	113.1	V324 D326	V324-I332 PolarHBondContact O-N 2.98Å; D326-I332 HydrophobicContact CB-CD1 3.93Å
333	H	40	Very low	42	Very low	138 Å²	138	120.4 Å²	120.4	64%	0.639	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-146.8	152.8	179	-94.6	46.7	0	0	0	111.6
334	E	41	Very low	42	Very low	113 Å²	113	124.5 Å²	124.5	53%	0.528	67%	0.674	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	144.2	170.5	-62.1	-176.4	166.8	0	0	109
335	V	39.8	Very low	41.1	Very low	91 Å²	91	123.5 Å²	123.5	55%	0.552	68%	0.684	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137	130.7	178.1	-177.5	0	0	0	0	109.4	V337	V335-V337 HydrophobicContact CG1-CG2 4.3Å
336	H	36.9	Very low	40.2	Very low	116 Å²	116	128 Å²	128	54%	0.537	70%	0.701	S	S	.	*			trans	-106.4	138	175.4	-69.8	79.2	0	0	0	109.8
337	V	35.1	Very low	39	Very low	112 Å²	112	134.1 Å²	134.1	68%	0.679	73%	0.725	S	S	*	*			trans	-135.8	128.8	175.8	-176.9	0	0	0	0	108.7	V335	V335-V337 HydrophobicContact CG1-CG2 4.3Å
338	Q	30.8	Very low	37.9	Very low	185 Å²	185	134.5 Å²	134.5	86%	0.864	72%	0.716	S	S	*	*			trans	-104.4	150.8	167.5	-75	-178.3	-21.2	0	0	109.7
339	M	33.1	Very low	36.7	Very low	172 Å²	172	133.5 Å²	133.5	85%	0.847	72%	0.719	S	S	*	*			trans	-126.1	148.6	168.4	-70.7	-177.1	63.5	0	0	108.8
340	Q	29.9	Very low	35.6	Very low	186 Å²	186	135 Å²	135	87%	0.869	73%	0.726	S	S	*	*			trans	-135.4	132.1	-177.4	-174.9	175.4	53	0	0	108.6
341	E	33.5	Very low	34.6	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	74%	0.737	S	S	*	*			trans	-125.6	147.8	177.9	-65.4	-170.9	159.5	0	0	110.3
342	L	28.6	Very low	33.4	Very low	160 Å²	160	141.5 Å²	141.5	84%	0.838	76%	0.756	S	S	*	*			trans	-139.8	148.3	171.7	-83.3	172.3	0	0	0	110.7
343	P	36.4	Very low	33.1	Very low	124 Å²	124	140.8 Å²	140.8	81%	0.805	76%	0.759	S	S	*	*			trans	-96.6	179.7	-163.4	38.4	-38.1	0	0	0	116.3
344	L	41.1	Very low	33.3	Very low	180 Å²	180	139.5 Å²	139.5	94%	0.942	76%	0.763	S	S	*	*			trans	-79.5	153	-165.6	-57.6	167.2	0	0	0	115.7
345	G	27.6	Very low	32.5	Very low	79 Å²	79	140 Å²	140	81%	0.814	77%	0.774	S	S	*	*			trans	-151	111.8	176.9	0	0	0	0	0	115.3
346	M	32.9	Very low	31.9	Very low	174 Å²	174	140.3 Å²	140.3	86%	0.857	78%	0.78	S	S	*	*			trans	-75.4	134.6	-175.3	59.2	-149.3	127.5	0	0	117.4
347	K	26.3	Very low	31.4	Very low	189 Å²	189	142.6 Å²	142.6	82%	0.822	79%	0.79	S	S	*	*				160.5	127.1	125.2	-91.1	175.4	179.1	179	0	117
348	T	23.9	Very low	30.9	Very low	119 Å²	119	145.2 Å²	145.2	73%	0.73	80%	0.795	S	S	*	*				56.6	133.7	127.4	-48.6	0	0	0	0	123.8
349	L	25.6	Very low	30.8	Very low	171 Å²	171	143.9 Å²	143.9	90%	0.895	79%	0.793	S	S	*	*			trans	83.6	147.2	160	-87.8	163.3	0	0	0	120.1
350	A	26.8	Very low	30.6	Very low	84 Å²	84	141.5 Å²	141.5	69%	0.694	79%	0.791	S	S	*	*			trans	-105.2	-179.8	179.6	0	0	0	0	0	109.3
351	P	34.1	Very low	30.3	Very low	113 Å²	113	139.4 Å²	139.4	73%	0.734	80%	0.795	S	S	*	*			cis	-148.1	176.5	20	46.3	-26.7	0	0	0	119.4
352	E	24.1	Very low	30.1	Very low	176 Å²	176	136.6 Å²	136.6	82%	0.822	79%	0.794	S	S	*	*			trans	71.1	163	152.2	-74.8	-56.3	89.4	0	0	121.2
353	P	47.3	Very low	30.3	Very low	100 Å²	100	133.8 Å²	133.8	65%	0.649	79%	0.788	S	S	*	*			trans	-111.9	-154.5	-148.9	48.5	-41.2	0	0	0	112.3
354	P	44.1	Very low	30.3	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	79%	0.791	S	S	*	*			cis	-143.5	-170.7	5.4	30.1	-2.8	0	0	0	118.8
355	V	24	Very low	30.5	Very low	124 Å²	124	131.6 Å²	131.6	75%	0.752	78%	0.782	S	S	*	*			trans	122.6	107.2	143	-176.1	0	0	0	0	118
356	S	27.7	Very low	31	Very low	97 Å²	97	132.4 Å²	132.4	68%	0.678	78%	0.776	S	S	*	*			trans	78.4	135.7	142	-69.4	0	0	0	0	126.4
357	Q	27.5	Very low	31.3	Very low	164 Å²	164	135.1 Å²	135.1	77%	0.766	78%	0.776	S	S	*	*			trans	86.9	94.3	134.2	-78.9	170.2	-23.5	0	0	123.2
358	E	24.4	Very low	32.1	Very low	167 Å²	167	134.6 Å²	134.6	78%	0.78	78%	0.777	S	S	*	*				85.2	144.3	115.9	-79.7	-171.1	-170.4	0	0	124.8
359	L	27.6	Very low	33.3	Very low	157 Å²	157	133.9 Å²	133.9	82%	0.822	77%	0.768	S	S	*	*			trans	71.3	125.2	161.8	-70.2	167.3	0	0	0	120.9
360	P	29.5	Very low	34.3	Very low	122 Å²	122	132 Å²	132	79%	0.792	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-92.2	152.4	175	36.8	-34.3	0	0	0	113.5
361	C	24.1	Very low	35	Very low	141 Å²	141	134.7 Å²	134.7	95%	0.953	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-93.4	157.1	167.3	-86.9	0	0	0	0	112.7
362	S	29.4	Very low	35.5	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-97	160.2	-165.2	61.5	0	0	0	0	114.9
363	S	31.4	Very low	36.8	Very low	101 Å²	101	132.2 Å²	132.2	71%	0.706	74%	0.739	S	S	*	*			trans	-67.2	177.4	152.6	57.1	0	0	0	0	109.9
364	E	37.7	Very low	36.6	Very low	184 Å²	184	130.9 Å²	130.9	86%	0.86	74%	0.736	S	S	*	*			cis	-140.8	-163.3	21.5	-66.1	-169.5	100.5	0	0	113
365	G	44.2	Very low	36.8	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	74%	0.738	S	S	*	*			trans	-67.8	143.5	-177.1	0	0	0	0	0	115.2
366	S	38.1	Very low	37.7	Very low	97 Å²	97	133 Å²	133	68%	0.678	73%	0.73	S	S	*	*			trans	-133.5	68	174.6	-167.5	0	0	0	0	111.4
367	R	39.9	Very low	38.5	Very low	231 Å²	231	134.9 Å²	134.9	87%	0.872	73%	0.732	S	S	*	*	S	Bend	trans	-136.6	-14.9	169.8	-82.9	-166.3	162.9	166.9	-2.9	115.4
368	E	42.1	Very low	39.2	Very low	178 Å²	178	132 Å²	132	83%	0.832	73%	0.73	S	S	*	*	S	Bend	trans	-84.8	-34	-178.9	-57.8	-173	-123.7	0	0	111.8	L370	E368-L370 PolarHBondContact O-N 3.16Å
369	N	49.3	Very low	39.9	Very low	104 Å²	104	127.6 Å²	127.6	56%	0.556	73%	0.73	S	S	*	*	H	α-helix	trans	-64.9	-29.7	-176.6	-76.4	-40.5	0	0	0	114.9	L371 H372 Q373	N369-L371 PolarHBondContact O-N 2.8Å; N369-H372 PolarHBondContact O-N 3.05Å; N369-H372 VanDerWaalsContact O-N 3.13Å; N369-Q373 WeakPolarHBondContact O-CB 3.38Å; N369-Q373 PolarHBondContact O-N 3.26Å
370	L	46	Very low	40.1	Very low	132 Å²	132	127.7 Å²	127.7	69%	0.691	73%	0.73	S	S	*	*	H	α-helix	trans	-65.8	-22.6	-174.8	-72.4	172.3	0	0	0	114.1	E368	E368-L370 PolarHBondContact O-N 3.16Å
371	L	43.1	Very low	40.2	Very low	140 Å²	140	127.6 Å²	127.6	73%	0.733	73%	0.727	S	S	*	*	H	α-helix	trans	-85.2	-29.2	174.1	-89.9	163.7	0	0	0	113.2	N369	N369-L371 PolarHBondContact O-N 2.8Å
372	H	43.6	Very low	40.4	Very low	134 Å²	134	128.9 Å²	128.9	62%	0.62	72%	0.723	S	S	*	*	H	α-helix	trans	-76.1	-40.7	171.5	-96.9	-146	0	0	0	112	N369 A374 M375 Q376	N369-H372 PolarHBondContact O-N 3.05Å; N369-H372 VanDerWaalsContact O-N 3.13Å; H372-A374 PolarHBondContact O-N 3.24Å; H372-M375 PolarHBondContact O-N 2.92Å; H372-Q376 PolarHBondContact O-N 2.66Å
373	Q	51	Low	40.3	Very low	102 Å²	102	131.8 Å²	131.8	48%	0.477	72%	0.724	S	S	.	*	H	α-helix	trans	-57.8	-37.9	176.5	-154.5	72.9	60.2	0	0	111.7	N369 M375 Q376	N369-Q373 WeakPolarHBondContact O-CB 3.38Å; N369-Q373 PolarHBondContact O-N 3.26Å; Q373-M375 PolarHBondContact O-N 3.35Å; Q373-Q376 PolarHBondContact O-N 2.91Å
374	A	44.1	Very low	40.3	Very low	72 Å²	72	138.6 Å²	138.6	60%	0.595	73%	0.734	S	S	*	*	H	α-helix	trans	-65.6	-18	177.1	0	0	0	0	0	114.2	H372	H372-A374 PolarHBondContact O-N 3.24Å
375	M	47.5	Very low	39.8	Very low	154 Å²	154	136.2 Å²	136.2	76%	0.759	73%	0.733	S	S	*	*	H	α-helix	trans	-97.8	-12.1	176.5	-70.1	-171.1	62	0	0	113.8	H372 Q373	H372-M375 PolarHBondContact O-N 2.92Å; Q373-M375 PolarHBondContact O-N 3.35Å
376	Q	43.1	Very low	39.1	Very low	127 Å²	127	137.9 Å²	137.9	59%	0.593	74%	0.739	S	S	*	*	H	α-helix	trans	-85.5	-20.2	-178.8	-72.5	177.9	-19	0	0	113.7	H372 Q373 S378	H372-Q376 PolarHBondContact O-N 2.66Å; Q373-Q376 PolarHBondContact O-N 2.91Å; Q376-S378 PolarHBondContact O-N 3.18Å
377	N	44.3	Very low	38.5	Very low	136 Å²	136	136.1 Å²	136.1	73%	0.727	74%	0.736	S	S	*	*	S	Bend	trans	-80.7	38.4	-179.1	-67.6	-2.8	0	0	0	113.6
378	S	43	Very low	38.1	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	74%	0.737	S	S	*	*	S	Bend	trans	-135.4	70.4	175.2	-70.4	0	0	0	0	109	Q376 I380	Q376-S378 PolarHBondContact O-N 3.18Å; S378-I380 PolarHBondContact O-N 3.38Å
379	G	39.4	Very low	37.5	Very low	75 Å²	75	134.6 Å²	134.6	77%	0.773	74%	0.739	S	S	*	*			trans	-68.9	117.4	-167.7	0	0	0	0	0	114.2
380	I	31.3	Very low	36.5	Very low	160 Å²	160	132.9 Å²	132.9	82%	0.821	75%	0.746	S	S	*	*			trans	-129.9	127.2	151	-61.8	-178.4	0	0	0	106.3	S378	S378-I380 PolarHBondContact O-N 3.38Å
381	V	32	Very low	35.5	Very low	120 Å²	120	131.2 Å²	131.2	73%	0.727	75%	0.751	S	S	*	*			trans	-101	139.6	-178.4	177.7	0	0	0	0	109.4
382	L	28.2	Very low	34.7	Very low	167 Å²	167	132.3 Å²	132.3	87%	0.874	76%	0.757	S	S	*	*			trans	-138.9	119.1	158.2	-73.4	178.4	0	0	0	109
383	E	27.7	Very low	33.8	Very low	177 Å²	177	133.5 Å²	133.5	83%	0.827	76%	0.763	S	S	*	*			trans	-73.7	170.5	172.9	-70.8	174.9	92.6	0	0	111.9
384	R	30.8	Very low	33.4	Very low	243 Å²	243	133.6 Å²	133.6	92%	0.917	77%	0.772	S	S	*	*			trans	-144.1	122.3	169.8	-169	-174.3	-62.2	-177.2	0.3	109.6
385	T	26.1	Very low	32.8	Very low	135 Å²	135	134 Å²	134	83%	0.828	78%	0.775	S	S	*	*			trans	-115.5	171	176	49.4	0	0	0	0	110.7
386	A	30.1	Very low	32.7	Very low	109 Å²	109	132.7 Å²	132.7	90%	0.901	78%	0.779	S	S	*	*			trans	-141.2	164.3	-172.5	0	0	0	0	0	112.1
387	G	26.4	Very low	32.1	Very low	60 Å²	60	130.9 Å²	130.9	62%	0.619	79%	0.785	S	S	*	*			trans	163	116.1	171.4	0	0	0	0	0	113.3
388	E	31.2	Very low	31.3	Very low	188 Å²	188	129.5 Å²	129.5	88%	0.879	79%	0.792	S	S	*	*				39.7	151.7	127.8	-65.6	164.7	141.5	0	0	120.6
389	E	28.7	Very low	30.5	Very low	188 Å²	188	127.6 Å²	127.6	88%	0.879	79%	0.79	S	S	*	*			cis	-161.2	175.2	7.8	-137.4	-167.3	140.2	0	0	110.6
390	G	27.9	Very low	29.9	Very low	68 Å²	68	130.3 Å²	130.3	70%	0.701	80%	0.797	S	S	*	*			trans	120.3	80.3	145.3	0	0	0	0	0	123.4
391	A	25.1	Very low	29.6	Very low	97 Å²	97	128 Å²	128	80%	0.802	80%	0.795	S	S	*	*				70.1	141.3	126.7	0	0	0	0	0	126.4
392	L	27	Very low	29.9	Very low	163 Å²	163	128 Å²	128	85%	0.853	80%	0.797	S	S	*	*			trans	87.7	94.5	151.5	-67.3	163.3	0	0	0	123.3
393	E	24.9	Very low	30.1	Very low	159 Å²	159	128.4 Å²	128.4	74%	0.743	79%	0.794	S	S	*	*				17.2	160.3	118.6	-80	-65.9	98.9	0	0	122.7
394	P	41.6	Very low	31	Very low	105 Å²	105	124.5 Å²	124.5	68%	0.682	78%	0.784	S	S	*	*			cis	-138.5	153.6	7.6	36.2	-16.1	0	0	0	119.9
395	A	31.8	Very low	30.8	Very low	79 Å²	79	117.2 Å²	117.2	65%	0.653	76%	0.763	S	S	*	*			trans	48.7	163.4	135.1	0	0	0	0	0	123.5
396	P	45.9	Very low	31	Very low	128 Å²	128	113.3 Å²	113.3	83%	0.831	74%	0.744	S	S	*	*			cis	-117.8	-148.1	-10.3	43.4	-28.1	0	0	0	110.6
397	A	29.6	Very low	31.1	Very low	89 Å²	89	116.5 Å²	116.5	74%	0.736	74%	0.741	S	S	*	*			cis	-157.5	164.5	0.7	0	0	0	0	0	112.2
398	A	27.7	Very low	31.4	Very low	106 Å²	106	117.2 Å²	117.2	88%	0.876	74%	0.741	S	S	*	*			trans	26.9	134	152.1	0	0	0	0	0	122.8
399	G	26.5	Very low	31.1	Very low	64 Å²	64	112.3 Å²	112.3	66%	0.66	73%	0.732	S	S	*	*			cis	163.7	175.7	-6.4	0	0	0	0	0	116.3
400	S	27.8	Very low	31.7	Very low	132 Å²	132	108.5 Å²	108.5	92%	0.923	72%	0.724	S	S	*	*			trans	74.5	140.5	169.1	29.1	0	0	0	0	121.2
401	S	24.8	Very low	31.8	Very low	112 Å²	112	113.3 Å²	113.3	78%	0.783	73%	0.728	S	S	*	*			trans	-130.2	-158.9	179.1	58.1	0	0	0	0	108.3
402	P	38.8	Very low	31.7	Very low	118 Å²	118	116.2 Å²	116.2	77%	0.766	73%	0.729	S	S	*	*			cis	-138.8	-157.7	-2.7	41.5	-19.1	0	0	0	115.2
403	Q	31.4	Very low	32.3	Very low	176 Å²	176	113.4 Å²	113.4	82%	0.822	72%	0.721	S	S	*	*			trans	-102.3	-137.7	167.8	-54.6	177.8	-45.3	0	0	109.8
404	P	45.8	Very low	32.4	Very low	95 Å²	95	112 Å²	112	62%	0.617	72%	0.723	S	S	*	*			cis	-145.7	-169.1	-29.1	30.5	-4.9	0	0	0	116.9
405	L	28.7	Very low	31.6	Very low	91 Å²	91	113.9 Å²	113.9	48%	0.476	73%	0.726	S	S	.	*			trans	73.5	156.9	136.6	-80.1	154.3	0	0	0	125.1	P106 A107 A108	P106-L405 VanDerWaalsContact CB-C 3.4Å; P106-L405 HydrophobicContact CB-CD2 4.25Å; A107-L405 WeakPolarHBondContact O-CD2 3.24Å; A108-L405 HydrophobicContact CB-CD1 3.52Å; A108-L405 HydrophobicContact CB-CD2 4.49Å; A108-L405 HydrophobicContact CB-CG 4.01Å
406	A	29.8	Very low	31.3	Very low	52 Å²	52	119.3 Å²	119.3	43%	0.43	74%	0.738	S	S	.	*			trans	-154.4	-174.1	-154.7	0	0	0	0	0	120.8	P106	P106-A406 HydrophobicContact CB-CB 3.71Å; P106-A406 VanDerWaalsContact CD-CB 3.48Å; P106-A406 HydrophobicContact CG-CB 3.57Å; P106-A406 WeakPolarHBondContact O-CB 3.17Å
407	E	31.7	Very low	30.5	Very low	176 Å²	176	118.9 Å²	118.9	82%	0.822	73%	0.733	S	S	*	*			trans	-172.7	177.1	153.2	-113.6	-65.2	82.3	0	0	110
408	A	32.2	Very low	30.7	Very low	75 Å²	75	122.3 Å²	122.3	62%	0.62	73%	0.734	S	S	*	*			cis	-161.8	146.1	7	0	0	0	0	0	117.5
409	A	25.7	Very low	31.1	Very low	85 Å²	85	123.3 Å²	123.3	70%	0.702	73%	0.731	S	S	*	*				72.4	-177.8	125.6	0	0	0	0	0	125.3
410	P	40.8	Very low	31.2	Very low	108 Å²	108	126.8 Å²	126.8	70%	0.701	73%	0.734	S	S	*	*				-148.8	-178.4	-83.5	49.5	-31.8	0	0	0	120.9
411	Q	29.6	Very low	31.3	Very low	169 Å²	169	128 Å²	128	79%	0.79	73%	0.725	S	S	*	*			trans	73.4	118.4	157.6	-57.7	-162.6	19.9	0	0	121.2
412	L	24.4	Very low	31.5	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	72%	0.724	S	S	*	*				80.3	158.7	79.4	-71.5	179.8	0	0	0	115.9
413	P	39.2	Very low	31.4	Very low	104 Å²	104	131.8 Å²	131.8	68%	0.675	73%	0.729	S	S	*	*			cis	-139.5	-167.5	9	40.9	-19.6	0	0	0	117.5
414	V	27.2	Very low	31.3	Very low	129 Å²	129	130.5 Å²	130.5	78%	0.782	73%	0.732	S	S	*	*			trans	74.6	136.3	160.2	175.3	0	0	0	0	118.4
415	L	24.9	Very low	30.4	Very low	145 Å²	145	130.6 Å²	130.6	76%	0.759	74%	0.741	S	S	*	*			cis	-163.9	135	-22.9	-105.8	179.7	0	0	0	108.3
416	E	24.1	Very low	30.6	Very low	194 Å²	194	131.5 Å²	131.5	91%	0.907	76%	0.756	S	S	*	*				-172.4	158.5	123.1	-133.8	175.5	134.6	0	0	110.3
417	V	28.7	Very low	30.7	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.715	78%	0.78	S	S	*	*			trans	-133.6	114.9	-171.2	179.8	0	0	0	0	112.6
418	Q	35.2	Very low	30.7	Very low	162 Å²	162	134.5 Å²	134.5	76%	0.757	78%	0.775	S	S	*	*			trans	16.7	150.8	138.8	-46.8	-177.7	17.9	0	0	120.3
419	P	35.7	Very low	30.9	Very low	126 Å²	126	136 Å²	136	82%	0.818	78%	0.781	S	S	*	*				-134.8	168.1	93.8	38.9	-30.6	0	0	0	116.6
420	L	29.2	Very low	31.7	Very low	137 Å²	137	136.6 Å²	136.6	72%	0.717	79%	0.787	S	S	*	*			trans	-30.6	158.9	157.7	-101.9	59.3	0	0	0	115.8
421	E	29.3	Very low	32.1	Very low	159 Å²	159	137 Å²	137	74%	0.743	79%	0.787	S	S	*	*			cis	-123.1	-153.4	13.1	-79.5	-153.1	134.5	0	0	111.6
422	T	28.5	Very low	33.1	Very low	124 Å²	124	133.7 Å²	133.7	76%	0.761	78%	0.78	S	S	*	*			cis	-154.2	165.7	7.4	-35.9	0	0	0	0	111.4
423	Q	36.6	Very low	34.6	Very low	185 Å²	185	137 Å²	137	86%	0.864	78%	0.781	S	S	*	*			trans	-89.8	139.4	178.1	-57.5	178.2	17.9	0	0	113.4
424	V	29.7	Very low	36	Very low	148 Å²	148	135.7 Å²	135.7	90%	0.897	77%	0.772	S	S	*	*			trans	-137.7	140	154.6	-178.8	0	0	0	0	108.3
425	A	27.7	Very low	38.1	Very low	97 Å²	97	132.7 Å²	132.7	80%	0.802	75%	0.749	S	S	*	*			trans	-76.3	156.4	-172.1	0	0	0	0	0	114
426	S	31.8	Very low	40.5	Very low	111 Å²	111	129.6 Å²	129.6	78%	0.776	74%	0.738	S	S	*	*			trans	-92.5	121.3	179	45.5	0	0	0	0	112.8	A428	S426-A428 VanDerWaalsContact C-N 3.3Å; S426-A428 PolarHBondContact O-N 2.8Å
427	E	31.9	Very low	42.9	Very low	203 Å²	203	120.9 Å²	120.9	95%	0.949	70%	0.698	S	S	*	*			trans	-75.1	79.4	169.7	-70.1	-163.8	108.5	0	0	111.3	S429	E427-S429 PolarHBondContact O-N 2.97Å; E427-S429 VanDerWaalsContact O-N 3.16Å
428	A	33.3	Very low	44.8	Very low	87 Å²	87	120.4 Å²	120.4	72%	0.719	70%	0.697	S	S	*	*			trans	-71.6	105.6	174	0	0	0	0	0	110.9	S426 A430	S426-A428 VanDerWaalsContact C-N 3.3Å; S426-A428 PolarHBondContact O-N 2.8Å; A428-A430 PolarHBondContact O-N 2.74Å; A428-A430 VanDerWaalsContact O-N 3.07Å
429	S	35.7	Very low	46.3	Very low	107 Å²	107	117.8 Å²	117.8	75%	0.748	69%	0.685	S	S	*	*			trans	-47.6	112.9	177.6	167.3	0	0	0	0	112.6	E427 V431	E427-S429 PolarHBondContact O-N 2.97Å; E427-S429 VanDerWaalsContact O-N 3.16Å; S429-V431 VanDerWaalsContact C-N 3.32Å; S429-V431 PolarHBondContact O-N 3.48Å
430	A	42.2	Very low	47.9	Very low	98 Å²	98	114 Å²	114	81%	0.81	66%	0.661	S	S	*	*			trans	-70.5	80.5	-179.9	0	0	0	0	0	112.3	A428 P432	A428-A430 PolarHBondContact O-N 2.74Å; A428-A430 VanDerWaalsContact O-N 3.07Å; A430-P432 WeakPolarHBondContact O-CD 3.42Å
431	V	48.6	Very low	49.7	Very low	116 Å²	116	113.4 Å²	113.4	70%	0.703	67%	0.668	S	S	*	*			trans	-62.2	117.9	172.6	179.9	0	0	0	0	108.9	S429 R433	S429-V431 VanDerWaalsContact C-N 3.32Å; S429-V431 PolarHBondContact O-N 3.48Å; V431-R433 PolarHBondContact O-N 3.13Å
432	P	52.2	Low	51.5	Low	100 Å²	100	111.4 Å²	111.4	65%	0.649	66%	0.659	S	S	*	*			trans	-64.2	127	175.3	26.7	-33.1	0	0	0	108.8	A430 T434	A430-P432 WeakPolarHBondContact O-CD 3.42Å; P432-T434 VanDerWaalsContact C-N 3.27Å; P432-T434 PolarHBondContact O-N 3.17Å
433	R	55.6	Low	53.8	Low	226 Å²	226	109.7 Å²	109.7	85%	0.853	65%	0.648	S	S	*	*			trans	-66.6	83.4	179.8	-78.3	-177.9	163.5	125.9	-4.5	110.9	V431 H435	V431-R433 PolarHBondContact O-N 3.13Å; R433-H435 PolarHBondContact O-CD2 2.9Å; R433-H435 VanDerWaalsContact O-CD2 3.25Å
434	T	67.8	Low	55.9	Low	78 Å²	78	102.5 Å²	102.5	48%	0.479	61%	0.614	S	S	.	*			trans	-72.2	134.5	173	59.1	0	0	0	0	110.2	P432 P436 F444	P432-T434 VanDerWaalsContact C-N 3.27Å; P432-T434 PolarHBondContact O-N 3.17Å; T434-P436 VanDerWaalsContact O-CD 3.23Å; T434-P436 WeakPolarHBondContact O-CD 3.13Å; T434-F444 CarbonylContact C-O 3.58Å; T434-F444 WeakPolarHBondContact CA-O 3.26Å
435	H	72.2	Confident	58	Low	66 Å²	66	100.2 Å²	100.2	31%	0.306	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.6	99.4	180	-68.5	-89.1	0	0	0	109.5	R433 F444 A447 L450	R433-H435 PolarHBondContact O-CD2 2.9Å; R433-H435 VanDerWaalsContact O-CD2 3.25Å; H435-F444 PolarHBondContact N-O 2.9Å; H435-F444 PolarHBondContact O-N 3.23Å; H435-A447 PolarHBondContact CD2-N 2.44Å; H435-A447 PolarHBondContact NE2-N 2.89Å; H435-L450 HydrophobicContact CB-CB 3.91Å; H435-L450 HydrophobicContact CB-CD2 3.71Å; H435-L450 HydrophobicContact CB-CG 4.4Å
436	P	74.4	Confident	60.6	Low	80 Å²	80	98.8 Å²	98.8	52%	0.519	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69	146.8	176.1	29	-35.1	0	0	0	111.3	T434 T443 L450	T434-P436 VanDerWaalsContact O-CD 3.23Å; T434-P436 WeakPolarHBondContact O-CD 3.13Å; P436-T443 HydrophobicContact CB-CG2 4.09Å; P436-L450 WeakPolarHBondContact O-CD2 3.47Å
437	C	75.5	Confident	62.7	Low	10 Å²	10	95.7 Å²	95.7	7%	0.068	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	132	168.7	-175.6	0	0	0	0	111.2	Q439 C440 E442 F444 L450 H453 H457	C437-Q439 PolarHBondContact O-N 3.06Å; C437-Q439 PolarHBondContact SG-N 3.2Å; C437-Q439 VanDerWaalsContact SG-N 3.41Å; C437-C440 WeakPolarHBondContact CB-O 3.35Å; C437-E442 PolarHBondContact N-O 3.39Å; C437-F444 HydrophobicContact CB-CE2 4.34Å; C437-L450 HydrophobicContact CB-CD1 3.69Å; C437-H453 WeakPolarHBondContact CB-NE2 3.49Å; C437-H453 VanDerWaalsContact SG-CD2 3.53Å; C437-H453 PolarHBondContact SG-NE2 2.84Å; C437-H453 VanDerWaalsContact SG-NE2 3.4Å; C437-H457 VanDerWaalsContact SG-CD2 3.56Å
438	P	68.6	Low	64.7	Low	108 Å²	108	89.6 Å²	89.6	70%	0.701	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.5	175.6	29.8	-36.1	0	0	0	113.8
439	Q	65.4	Low	66.7	Low	108 Å²	108	88.2 Å²	88.2	51%	0.505	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-8	-175.5	-69.6	168.7	-49	0	0	113.7	C437	C437-Q439 PolarHBondContact O-N 3.06Å; C437-Q439 PolarHBondContact SG-N 3.2Å; C437-Q439 VanDerWaalsContact SG-N 3.41Å
440	C	70.1	Confident	68.7	Low	45 Å²	45	83.6 Å²	83.6	30%	0.304	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	153.1	164.8	62.5	0	0	0	0	110.5	C437 E442 H453 H457	C437-C440 WeakPolarHBondContact CB-O 3.35Å; C440-E442 PolarHBondContact O-N 3.32Å; C440-H453 PolarHBondContact SG-CE1 3.37Å; C440-H453 PolarHBondContact SG-NE2 3.35Å; C440-H457 PolarHBondContact SG-NE2 3.4Å
441	S	67.6	Low	70.1	Confident	126 Å²	126	82.8 Å²	82.8	88%	0.881	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	28.7	-173.8	52.6	0	0	0	0	116.3
442	E	66.4	Low	71.2	Confident	116 Å²	116	80.1 Å²	80.1	54%	0.542	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.5	172.8	-65.4	-80	130.1	0	0	110	C437 C440 F444	C437-E442 PolarHBondContact N-O 3.39Å; C440-E442 PolarHBondContact O-N 3.32Å; E442-F444 HydrophobicContact CB-CE2 3.62Å; E442-F444 HydrophobicContact CB-CZ 3.73Å
443	T	75.8	Confident	72.3	Confident	88 Å²	88	77.5 Å²	77.5	54%	0.54	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.7	178.7	48.8	0	0	0	0	111.6	P436	P436-T443 HydrophobicContact CB-CG2 4.09Å
444	F	81.3	Confident	73	Confident	34 Å²	34	69.3 Å²	69.3	15%	0.149	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.3	-172.9	-65.9	-81.7	0	0	0	112	T434 H435 C437 E442 T446 L450 H453	T434-F444 CarbonylContact C-O 3.58Å; T434-F444 WeakPolarHBondContact CA-O 3.26Å; H435-F444 PolarHBondContact N-O 2.9Å; H435-F444 PolarHBondContact O-N 3.23Å; C437-F444 HydrophobicContact CB-CE2 4.34Å; E442-F444 HydrophobicContact CB-CE2 3.62Å; E442-F444 HydrophobicContact CB-CZ 3.73Å; F444-T446 VanDerWaalsContact C-N 3.3Å; F444-T446 PolarHBondContact O-N 3.35Å; F444-L450 HydrophobicContact CB-CB 4.12Å; F444-L450 HydrophobicContact CD2-CB 4.34Å; F444-L450 HydrophobicContact CD2-CD1 3.88Å; F444-L450 HydrophobicContact CE2-CD1 4.41Å; F444-L450 HydrophobicContact CG-CB 4.41Å; F444-H453 HydrophobicContact CE1-CB 4.09Å; F444-H453 HydrophobicContact CE2-CB 4.02Å; F444-H453 AromaticContact CE2-CD2 3.46Å; F444-H453 VanDerWaalsContact CE2-CD2 3.46Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.37Å; F444-H453 AromaticContact CE2-CE1 3.85Å; F444-H453 AromaticContact CE2-CG 3.5Å; F444-H453 VanDerWaalsContact CE2-CG 3.5Å; F444-H453 AromaticContact CE2-ND1 3.76Å; F444-H453 AromaticContact CE2-NE2 3.71Å; F444-H453 HydrophobicContact CZ-CB 3.81Å; F444-H453 AromaticContact CZ-CD2 3.8Å; F444-H453 AromaticContact CZ-CE1 3.62Å; F444-H453 AromaticContact CZ-CG 3.36Å; F444-H453 AromaticContact CZ-ND1 3.25Å; F444-H453 WeakPolarHBondContact CZ-ND1 3.38Å; F444-H453 AromaticContact CZ-NE2 3.96Å
445	P	74.8	Confident	73.1	Confident	101 Å²	101	73.4 Å²	73.4	66%	0.656	43%	0.425	S	S	*	.	S	Bend	trans	-76.4	-12.2	-175.7	31.2	-36.8	0	0	0	114.1
446	T	81.3	Confident	72.6	Confident	66 Å²	66	71.4 Å²	71.4	41%	0.405	42%	0.422	S	S	.	.	S	Bend	trans	-145.5	150.2	178.9	63	0	0	0	0	111.8	F444 A448 T449 L450	F444-T446 VanDerWaalsContact C-N 3.3Å; F444-T446 PolarHBondContact O-N 3.35Å; T446-A448 PolarHBondContact O-N 2.17Å; T446-T449 PolarHBondContact N-OG1 2.6Å; T446-T449 PolarHBondContact O-N 2.76Å; T446-T449 PolarHBondContact O-OG1 2.81Å; T446-T449 WeakPolarHBondContact OG1-CG2 3.35Å; T446-T449 PolarHBondContact OG1-N 2.87Å; T446-T449 PolarHBondContact OG1-OG1 3.07Å; T446-L450 PolarHBondContact O-N 3.32Å
447	A	75.1	Confident	72	Confident	47 Å²	47	70.4 Å²	70.4	39%	0.388	41%	0.41	S	S	.	.	H	α-helix	trans	-54	-41.3	173	0	0	0	0	0	112	H435 T449 L450 E451	H435-A447 PolarHBondContact CD2-N 2.44Å; H435-A447 PolarHBondContact NE2-N 2.89Å; A447-T449 VanDerWaalsContact C-N 3.31Å; A447-T449 PolarHBondContact O-N 3.45Å; A447-L450 PolarHBondContact O-N 2.86Å; A447-E451 WeakPolarHBondContact O-CG 3.18Å; A447-E451 PolarHBondContact O-N 3.28Å
448	A	75.3	Confident	71.2	Confident	75 Å²	75	75 Å²	75	62%	0.62	44%	0.438	S	S	*	.	H	α-helix	trans	-61.8	-34.5	177.8	0	0	0	0	0	113.6	T446 A452	T446-A448 PolarHBondContact O-N 2.17Å; A448-A452 WeakPolarHBondContact O-CB 3.47Å; A448-A452 PolarHBondContact O-N 2.92Å; A448-A452 VanDerWaalsContact O-N 3.09Å
449	T	75.5	Confident	70.6	Confident	57 Å²	57	70.7 Å²	70.7	35%	0.35	41%	0.413	S	S	.	.	H	α-helix	trans	-76.9	-35.8	174.5	49	0	0	0	0	112.1	T446 A447 H453	T446-T449 PolarHBondContact N-OG1 2.6Å; T446-T449 PolarHBondContact O-N 2.76Å; T446-T449 PolarHBondContact O-OG1 2.81Å; T446-T449 WeakPolarHBondContact OG1-CG2 3.35Å; T446-T449 PolarHBondContact OG1-N 2.87Å; T446-T449 PolarHBondContact OG1-OG1 3.07Å; A447-T449 VanDerWaalsContact C-N 3.31Å; A447-T449 PolarHBondContact O-N 3.45Å; T449-H453 WeakPolarHBondContact O-CB 3.46Å; T449-H453 PolarHBondContact O-N 3.38Å
450	L	76.8	Confident	70.2	Confident	10 Å²	10	71.1 Å²	71.1	5%	0.052	43%	0.426	C	S	.	.	H	α-helix	trans	-62.2	-45.1	169.5	175.2	59.8	0	0	0	111.8	H435 P436 C437 F444 T446 A447 A452 H453 K454	H435-L450 HydrophobicContact CB-CB 3.91Å; H435-L450 HydrophobicContact CB-CD2 3.71Å; H435-L450 HydrophobicContact CB-CG 4.4Å; P436-L450 WeakPolarHBondContact O-CD2 3.47Å; C437-L450 HydrophobicContact CB-CD1 3.69Å; F444-L450 HydrophobicContact CB-CB 4.12Å; F444-L450 HydrophobicContact CD2-CB 4.34Å; F444-L450 HydrophobicContact CD2-CD1 3.88Å; F444-L450 HydrophobicContact CE2-CD1 4.41Å; F444-L450 HydrophobicContact CG-CB 4.41Å; T446-L450 PolarHBondContact O-N 3.32Å; A447-L450 PolarHBondContact O-N 2.86Å; L450-A452 PolarHBondContact O-N 2.93Å; L450-H453 CarbonylContact O-C 3.56Å; L450-H453 WeakPolarHBondContact O-CA 3.21Å; L450-H453 WeakPolarHBondContact O-CB 3.39Å; L450-H453 PolarHBondContact O-N 2.97Å; L450-H453 VanDerWaalsContact O-N 3.11Å; L450-K454 HydrophobicContact CD1-CD 4.35Å; L450-K454 HydrophobicContact CD1-CG 3.97Å; L450-K454 HydrophobicContact CG-CD 4.09Å; L450-K454 HydrophobicContact CG-CG 4.22Å; L450-K454 WeakPolarHBondContact O-CG 3.27Å; L450-K454 PolarHBondContact O-N 3.04Å
451	E	71.3	Confident	69.9	Low	81 Å²	81	74.5 Å²	74.5	38%	0.379	43%	0.432	S	S	.	.	H	α-helix	trans	-67.7	-36.4	179.8	-69.1	-48.5	133.6	0	0	112.4	A447 H453 K454 R455	A447-E451 WeakPolarHBondContact O-CG 3.18Å; A447-E451 PolarHBondContact O-N 3.28Å; E451-H453 PolarHBondContact O-N 3.36Å; E451-K454 VanDerWaalsContact OE1-CD 3.31Å; E451-K454 WeakPolarHBondContact OE1-CD 3.46Å; E451-K454 WeakPolarHBondContact OE1-CE 3.42Å; E451-K454 IonicContact OE1-NZ 2.69Å; E451-K454 PolarHBondContact OE1-NZ 3.08Å; E451-K454 WeakPolarHBondContact OE2-CD 3.38Å; E451-K454 IonicContact OE2-NZ 2.66Å; E451-R455 WeakPolarHBondContact O-CB 3.28Å; E451-R455 PolarHBondContact O-N 2.74Å
452	A	72.9	Confident	70.1	Confident	60 Å²	60	73 Å²	73	50%	0.496	42%	0.419	S	S	.	.	H	α-helix	trans	-63.6	-31.9	171	0	0	0	0	0	112.6	A448 L450	A448-A452 WeakPolarHBondContact O-CB 3.47Å; A448-A452 PolarHBondContact O-N 2.92Å; A448-A452 VanDerWaalsContact O-N 3.09Å; L450-A452 PolarHBondContact O-N 2.93Å
453	H	75.6	Confident	70.3	Confident	45 Å²	45	71.2 Å²	71.2	21%	0.208	41%	0.41	C	S	.	.	H	α-helix	trans	-77.7	-47.4	175.7	168.7	90	0	0	0	112.6	C437 C440 F444 T449 L450 E451 R455 G456 H457	C437-H453 WeakPolarHBondContact CB-NE2 3.49Å; C437-H453 VanDerWaalsContact SG-CD2 3.53Å; C437-H453 PolarHBondContact SG-NE2 2.84Å; C437-H453 VanDerWaalsContact SG-NE2 3.4Å; C440-H453 PolarHBondContact SG-CE1 3.37Å; C440-H453 PolarHBondContact SG-NE2 3.35Å; F444-H453 HydrophobicContact CE1-CB 4.09Å; F444-H453 HydrophobicContact CE2-CB 4.02Å; F444-H453 AromaticContact CE2-CD2 3.46Å; F444-H453 VanDerWaalsContact CE2-CD2 3.46Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.37Å; F444-H453 AromaticContact CE2-CE1 3.85Å; F444-H453 AromaticContact CE2-CG 3.5Å; F444-H453 VanDerWaalsContact CE2-CG 3.5Å; F444-H453 AromaticContact CE2-ND1 3.76Å; F444-H453 AromaticContact CE2-NE2 3.71Å; F444-H453 HydrophobicContact CZ-CB 3.81Å; F444-H453 AromaticContact CZ-CD2 3.8Å; F444-H453 AromaticContact CZ-CE1 3.62Å; F444-H453 AromaticContact CZ-CG 3.36Å; F444-H453 AromaticContact CZ-ND1 3.25Å; F444-H453 WeakPolarHBondContact CZ-ND1 3.38Å; F444-H453 AromaticContact CZ-NE2 3.96Å; T449-H453 WeakPolarHBondContact O-CB 3.46Å; T449-H453 PolarHBondContact O-N 3.38Å; L450-H453 CarbonylContact O-C 3.56Å; L450-H453 WeakPolarHBondContact O-CA 3.21Å; L450-H453 WeakPolarHBondContact O-CB 3.39Å; L450-H453 PolarHBondContact O-N 2.97Å; L450-H453 VanDerWaalsContact O-N 3.11Å; E451-H453 PolarHBondContact O-N 3.36Å; H453-R455 PolarHBondContact O-N 2.86Å; H453-G456 WeakPolarHBondContact O-CA 3.33Å; H453-G456 PolarHBondContact O-N 3.18Å; H453-H457 AromaticContact CD2-NE2 3.72Å; H453-H457 AromaticContact CE1-NE2 3.56Å; H453-H457 AromaticContact NE2-CD2 3.75Å; H453-H457 AromaticContact NE2-CE1 3.95Å; H453-H457 AromaticContact NE2-NE2 2.98Å; H453-H457 PolarHBondContact NE2-NE2 3Å
454	K	69.3	Low	70.3	Confident	54 Å²	54	69.6 Å²	69.6	24%	0.235	41%	0.405	C	S	.	.	H	α-helix	trans	-52.7	-40.8	172.8	-78.9	172.9	174.1	176.2	0	111.6	L450 E451 G456 H457 T458	L450-K454 HydrophobicContact CD1-CD 4.35Å; L450-K454 HydrophobicContact CD1-CG 3.97Å; L450-K454 HydrophobicContact CG-CD 4.09Å; L450-K454 HydrophobicContact CG-CG 4.22Å; L450-K454 WeakPolarHBondContact O-CG 3.27Å; L450-K454 PolarHBondContact O-N 3.04Å; E451-K454 VanDerWaalsContact OE1-CD 3.31Å; E451-K454 WeakPolarHBondContact OE1-CD 3.46Å; E451-K454 WeakPolarHBondContact OE1-CE 3.42Å; E451-K454 IonicContact OE1-NZ 2.69Å; E451-K454 PolarHBondContact OE1-NZ 3.08Å; E451-K454 WeakPolarHBondContact OE2-CD 3.38Å; E451-K454 IonicContact OE2-NZ 2.66Å; K454-G456 PolarHBondContact O-N 3.37Å; K454-H457 WeakPolarHBondContact O-CA 3.41Å; K454-H457 WeakPolarHBondContact O-CB 3.42Å; K454-H457 PolarHBondContact O-N 3.06Å; K454-T458 PolarHBondContact O-N 3.48Å; K454-T458 PolarHBondContact O-OG1 2.83Å; K454-T458 VanDerWaalsContact O-OG1 3.05Å
455	R	70	Confident	69.9	Low	165 Å²	165	68.1 Å²	68.1	62%	0.623	40%	0.399	S	S	*	.	H	α-helix	trans	-60.5	-13.7	174.7	-161.4	174.5	-62.9	124.8	5.4	114	E451 H453 G459	E451-R455 WeakPolarHBondContact O-CB 3.28Å; E451-R455 PolarHBondContact O-N 2.74Å; H453-R455 PolarHBondContact O-N 2.86Å; R455-G459 WeakPolarHBondContact O-CA 3.23Å; R455-G459 PolarHBondContact O-N 3.32Å
456	G	62.4	Low	69.7	Low	23 Å²	23	69.6 Å²	69.6	24%	0.237	41%	0.406	C	S	.	.	H	α-helix	trans	-84.9	-19.7	168.1	0	0	0	0	0	114.8	H453 K454 R461	H453-G456 WeakPolarHBondContact O-CA 3.33Å; H453-G456 PolarHBondContact O-N 3.18Å; K454-G456 PolarHBondContact O-N 3.37Å; G456-R461 PolarHBondContact O-NE 2.89Å; G456-R461 PolarHBondContact O-NH2 2.87Å
457	H	61.6	Low	68.8	Low	60 Å²	60	73.2 Å²	73.2	28%	0.278	42%	0.418	S	S	.	.	H	α-helix	trans	-91	-56.4	173.1	-60.4	-51.4	0	0	0	111.5	C437 C440 H453 K454	C437-H457 VanDerWaalsContact SG-CD2 3.56Å; C440-H457 PolarHBondContact SG-NE2 3.4Å; H453-H457 AromaticContact CD2-NE2 3.72Å; H453-H457 AromaticContact CE1-NE2 3.56Å; H453-H457 AromaticContact NE2-CD2 3.75Å; H453-H457 AromaticContact NE2-CE1 3.95Å; H453-H457 AromaticContact NE2-NE2 2.98Å; H453-H457 PolarHBondContact NE2-NE2 3Å; K454-H457 WeakPolarHBondContact O-CA 3.41Å; K454-H457 WeakPolarHBondContact O-CB 3.42Å; K454-H457 PolarHBondContact O-N 3.06Å
458	T	58.5	Low	68.3	Low	106 Å²	106	73.4 Å²	73.4	65%	0.65	42%	0.416	S	S	*	.	S	Bend	trans	-86.8	-8.3	-177.6	23.9	0	0	0	0	115	K454	K454-T458 PolarHBondContact O-N 3.48Å; K454-T458 PolarHBondContact O-OG1 2.83Å; K454-T458 VanDerWaalsContact O-OG1 3.05Å
459	G	56.3	Low	67.9	Low	18 Å²	18	72.8 Å²	72.8	19%	0.186	42%	0.417	C	S	.	.	S	Bend	trans	-71.3	138.1	174.9	0	0	0	0	0	111.4	R455 R461	R455-G459 WeakPolarHBondContact O-CA 3.23Å; R455-G459 PolarHBondContact O-N 3.32Å; G459-R461 PolarHBondContact O-N 2.89Å
460	P	56	Low	67.5	Low	117 Å²	117	76.2 Å²	76.2	76%	0.76	43%	0.427	S	S	*	.			trans	-56.2	142.2	167.2	25.9	-33.9	0	0	0	109.2	P462	P460-P462 WeakPolarHBondContact O-CD 3.35Å
461	R	64.2	Low	67.3	Low	115 Å²	115	77.3 Å²	77.3	43%	0.434	44%	0.438	S	S	.	.			trans	-111.6	68.1	-175.7	-64.2	177.7	173.7	-171.7	4.9	110.2	G456 G459 F463 A471 F472	G456-R461 PolarHBondContact O-NE 2.89Å; G456-R461 PolarHBondContact O-NH2 2.87Å; G459-R461 PolarHBondContact O-N 2.89Å; R461-F463 PolarHBondContact O-N 3.31Å; R461-A471 HydrophobicContact CB-CB 3.56Å; R461-A471 WeakPolarHBondContact CD-O 3.24Å; R461-F472 CarbonylContact C-O 3.38Å
462	P	71.1	Confident	67.7	Low	95 Å²	95	75.5 Å²	75.5	62%	0.617	43%	0.429	S	S	*	.			trans	-65.5	-13.7	-170.8	28.2	-36.9	0	0	0	113.8	P460 A464	P460-P462 WeakPolarHBondContact O-CD 3.35Å; P462-A464 PolarHBondContact O-N 3.3Å
463	F	70.3	Confident	67.7	Low	79 Å²	79	75.1 Å²	75.1	35%	0.346	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	75.2	179.6	-54.6	-68.7	0	0	0	110.4	R461 F472 K474 A475 L478	R461-F463 PolarHBondContact O-N 3.31Å; F463-F472 HydrophobicContact CB-CB 4.45Å; F463-F472 WeakPolarHBondContact CB-O 3.27Å; F463-F472 PolarHBondContact N-O 3.07Å; F463-F472 PolarHBondContact O-N 3.12Å; F463-K474 VanDerWaalsContact CD2-C 3.48Å; F463-A475 HydrophobicContact CD1-CB 3.85Å; F463-A475 HydrophobicContact CD2-CB 4.37Å; F463-A475 VanDerWaalsContact CD2-N 3.28Å; F463-A475 HydrophobicContact CE1-CB 3.72Å; F463-A475 HydrophobicContact CE2-CB 4.24Å; F463-A475 HydrophobicContact CG-CB 4.18Å; F463-A475 HydrophobicContact CZ-CB 3.93Å; F463-L478 HydrophobicContact CB-CB 3.83Å; F463-L478 HydrophobicContact CB-CD2 3.76Å; F463-L478 HydrophobicContact CB-CG 4.39Å
464	A	76.3	Confident	67.8	Low	54 Å²	54	79.7 Å²	79.7	45%	0.446	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	142.1	173.9	0	0	0	0	0	112.5	P462	P462-A464 PolarHBondContact O-N 3.3Å
465	C	73.7	Confident	68.1	Low	2 Å²	2	79.6 Å²	79.6	1%	0.014	45%	0.45	C	S	.	.			trans	-91.6	107.2	173.6	-171	0	0	0	0	111.4	Q467 C468 G469 K470 F472 L478 H481 H485	C465-Q467 PolarHBondContact O-N 3.44Å; C465-C468 PolarHBondContact O-N 2.84Å; C465-G469 PolarHBondContact O-N 3.26Å; C465-K470 WeakPolarHBondContact CB-O 3.24Å; C465-K470 PolarHBondContact N-O 3.12Å; C465-F472 HydrophobicContact CB-CE2 4.44Å; C465-L478 HydrophobicContact CB-CD1 3.56Å; C465-H481 PolarHBondContact SG-CD2 3.24Å; C465-H485 PolarHBondContact SG-CD2 3.3Å; C465-H485 PolarHBondContact SG-NE2 2.75Å
466	V	70.3	Confident	68.5	Low	132 Å²	132	79.6 Å²	79.6	80%	0.8	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-31.3	179.9	-59.9	0	0	0	0	113.9
467	Q	62.8	Low	69.2	Low	142 Å²	142	82 Å²	82	66%	0.664	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.4	-178.9	-69.2	-64.2	-19	0	0	115.3	C465 H485	C465-Q467 PolarHBondContact O-N 3.44Å; Q467-H485 HydrophobicContact CB-CB 4.29Å; Q467-H485 HydrophobicContact CG-CB 4.39Å
468	C	64.3	Low	70	Confident	51 Å²	51	80 Å²	80	35%	0.345	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.6	22.4	178.2	77.5	0	0	0	0	115.6	C465 K470 H481 H485	C465-C468 PolarHBondContact O-N 2.84Å; C468-K470 PolarHBondContact O-N 2.82Å; C468-H481 PolarHBondContact SG-NE2 3.39Å; C468-H485 VanDerWaalsContact SG-CE1 3.51Å; C468-H485 PolarHBondContact SG-NE2 3.43Å
469	G	67.2	Low	70.9	Confident	62 Å²	62	81.1 Å²	81.1	64%	0.639	45%	0.445	S	S	*	.			trans	65.6	-9.8	178.6	0	0	0	0	0	116.9	C465 A471	C465-G469 PolarHBondContact O-N 3.26Å; G469-A471 PolarHBondContact O-N 2.99Å; G469-A471 VanDerWaalsContact O-N 3.16Å
470	K	67.2	Low	71.7	Confident	129 Å²	129	86 Å²	86	56%	0.561	46%	0.461	S	S	*	.			trans	-67.2	117.3	-172.8	-72.6	177	-173.1	173	0	110.7	C465 C468 F472	C465-K470 WeakPolarHBondContact CB-O 3.24Å; C465-K470 PolarHBondContact N-O 3.12Å; C468-K470 PolarHBondContact O-N 2.82Å; K470-F472 HydrophobicContact CB-CE2 3.85Å; K470-F472 HydrophobicContact CB-CZ 4.08Å; K470-F472 VanDerWaalsContact O-CD2 3.3Å; K470-F472 WeakPolarHBondContact O-CD2 3.48Å; K470-F472 WeakPolarHBondContact O-CE2 3.48Å
471	A	72.3	Confident	72.5	Confident	34 Å²	34	81.7 Å²	81.7	28%	0.281	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.4	-177.4	0	0	0	0	0	112.2	R461 G469	R461-A471 HydrophobicContact CB-CB 3.56Å; R461-A471 WeakPolarHBondContact CD-O 3.24Å; G469-A471 PolarHBondContact O-N 2.99Å; G469-A471 VanDerWaalsContact O-N 3.16Å
472	F	78.4	Confident	72.9	Confident	43 Å²	43	79.9 Å²	79.9	19%	0.189	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.7	-175.8	-62.8	-88.5	0	0	0	112.1	R461 F463 C465 K470 K474 L477 L478 H481	R461-F472 CarbonylContact C-O 3.38Å; F463-F472 HydrophobicContact CB-CB 4.45Å; F463-F472 WeakPolarHBondContact CB-O 3.27Å; F463-F472 PolarHBondContact N-O 3.07Å; F463-F472 PolarHBondContact O-N 3.12Å; C465-F472 HydrophobicContact CB-CE2 4.44Å; K470-F472 HydrophobicContact CB-CE2 3.85Å; K470-F472 HydrophobicContact CB-CZ 4.08Å; K470-F472 VanDerWaalsContact O-CD2 3.3Å; K470-F472 WeakPolarHBondContact O-CD2 3.48Å; K470-F472 WeakPolarHBondContact O-CE2 3.48Å; F472-K474 VanDerWaalsContact C-N 3.28Å; F472-K474 PolarHBondContact O-N 3.22Å; F472-L477 HydrophobicContact CB-CB 4.23Å; F472-L477 HydrophobicContact CD1-CB 3.99Å; F472-L477 HydrophobicContact CG-CB 4.35Å; F472-L478 HydrophobicContact CB-CB 4.36Å; F472-L478 HydrophobicContact CD2-CB 4.15Å; F472-L478 HydrophobicContact CD2-CD1 4.04Å; F472-L478 HydrophobicContact CE2-CD1 4.38Å; F472-L478 HydrophobicContact CG-CB 4.48Å; F472-H481 HydrophobicContact CE1-CB 4.15Å; F472-H481 HydrophobicContact CE2-CB 3.73Å; F472-H481 AromaticContact CE2-CD2 3.28Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.29Å; F472-H481 AromaticContact CE2-CG 3.49Å; F472-H481 VanDerWaalsContact CE2-CG 3.49Å; F472-H481 HydrophobicContact CZ-CB 3.51Å; F472-H481 AromaticContact CZ-CD2 3.55Å; F472-H481 AromaticContact CZ-CG 3.29Å; F472-H481 AromaticContact CZ-ND1 3.77Å
473	P	73.5	Confident	72.9	Confident	52 Å²	52	80.3 Å²	80.3	34%	0.338	42%	0.421	S	S	.	.	S	Bend	trans	-78.7	-6.2	178.7	32	-36.4	0	0	0	113.9	L477	P473-L477 HydrophobicContact CG-CD1 4.37Å
474	K	79.1	Confident	72.5	Confident	140 Å²	140	80.6 Å²	80.6	61%	0.609	43%	0.429	S	S	*	.	S	Bend	trans	-146.2	134.3	-177.8	-62.2	-175.3	-179	180	0	111.8	F463 F472 Y476 L477 L478	F463-K474 VanDerWaalsContact CD2-C 3.48Å; F472-K474 VanDerWaalsContact C-N 3.28Å; F472-K474 PolarHBondContact O-N 3.22Å; K474-Y476 VanDerWaalsContact C-N 3.28Å; K474-Y476 PolarHBondContact O-N 2.81Å; K474-L477 HydrophobicContact CB-CD1 4.2Å; K474-L477 HydrophobicContact CB-CG 4.23Å; K474-L477 WeakPolarHBondContact O-CB 3.25Å; K474-L477 PolarHBondContact O-N 3.25Å; K474-L478 PolarHBondContact O-N 3.32Å
475	A	73.9	Confident	71.6	Confident	52 Å²	52	81 Å²	81	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-54.9	-36.8	-179.4	0	0	0	0	0	114.3	F463 L477 L478 K479	F463-A475 HydrophobicContact CD1-CB 3.85Å; F463-A475 HydrophobicContact CD2-CB 4.37Å; F463-A475 VanDerWaalsContact CD2-N 3.28Å; F463-A475 HydrophobicContact CE1-CB 3.72Å; F463-A475 HydrophobicContact CE2-CB 4.24Å; F463-A475 HydrophobicContact CG-CB 4.18Å; F463-A475 HydrophobicContact CZ-CB 3.93Å; A475-L477 VanDerWaalsContact C-N 3.31Å; A475-L477 PolarHBondContact O-N 3.3Å; A475-L478 PolarHBondContact O-N 2.75Å; A475-K479 PolarHBondContact O-N 3.08Å
476	Y	78.8	Confident	70.9	Confident	166 Å²	166	84.4 Å²	84.4	65%	0.651	44%	0.442	S	S	*	.	H	α-helix	trans	-64.5	-32.7	175.5	174.3	-108.6	0	0	0	113.1	K474 K479 K480	K474-Y476 VanDerWaalsContact C-N 3.28Å; K474-Y476 PolarHBondContact O-N 2.81Å; Y476-K479 PolarHBondContact O-N 2.77Å; Y476-K480 WeakPolarHBondContact O-CB 3.41Å; Y476-K480 PolarHBondContact O-N 2.96Å
477	L	77.6	Confident	70	Confident	72 Å²	72	86.8 Å²	86.8	38%	0.377	44%	0.437	S	S	.	.	H	α-helix	trans	-73.5	-39.2	175.6	-62.6	176.5	0	0	0	111	F472 P473 K474 A475 K480 H481	F472-L477 HydrophobicContact CB-CB 4.23Å; F472-L477 HydrophobicContact CD1-CB 3.99Å; F472-L477 HydrophobicContact CG-CB 4.35Å; P473-L477 HydrophobicContact CG-CD1 4.37Å; K474-L477 HydrophobicContact CB-CD1 4.2Å; K474-L477 HydrophobicContact CB-CG 4.23Å; K474-L477 WeakPolarHBondContact O-CB 3.25Å; K474-L477 PolarHBondContact O-N 3.25Å; A475-L477 VanDerWaalsContact C-N 3.31Å; A475-L477 PolarHBondContact O-N 3.3Å; L477-K480 PolarHBondContact O-N 2.84Å; L477-H481 VanDerWaalsContact O-CB 3.31Å; L477-H481 WeakPolarHBondContact O-CB 3.33Å; L477-H481 PolarHBondContact O-N 3.2Å
478	L	79.1	Confident	69.6	Low	18 Å²	18	84.9 Å²	84.9	9%	0.094	43%	0.428	C	S	.	.	H	α-helix	trans	-59.2	-46.4	169.2	173	61.9	0	0	0	110.8	F463 C465 F472 K474 A475 K480 H481 Q482	F463-L478 HydrophobicContact CB-CB 3.83Å; F463-L478 HydrophobicContact CB-CD2 3.76Å; F463-L478 HydrophobicContact CB-CG 4.39Å; C465-L478 HydrophobicContact CB-CD1 3.56Å; F472-L478 HydrophobicContact CB-CB 4.36Å; F472-L478 HydrophobicContact CD2-CB 4.15Å; F472-L478 HydrophobicContact CD2-CD1 4.04Å; F472-L478 HydrophobicContact CE2-CD1 4.38Å; F472-L478 HydrophobicContact CG-CB 4.48Å; K474-L478 PolarHBondContact O-N 3.32Å; A475-L478 PolarHBondContact O-N 2.75Å; L478-K480 PolarHBondContact O-N 3.22Å; L478-H481 CarbonylContact O-C 3.59Å; L478-H481 WeakPolarHBondContact O-CA 3.4Å; L478-H481 WeakPolarHBondContact O-CB 3.35Å; L478-H481 PolarHBondContact O-N 3.49Å; L478-Q482 HydrophobicContact CD1-CG 4.05Å; L478-Q482 HydrophobicContact CG-CG 4.32Å; L478-Q482 WeakPolarHBondContact O-CG 3.22Å; L478-Q482 PolarHBondContact O-N 2.94Å
479	K	76.1	Confident	69.2	Low	130 Å²	130	88.9 Å²	88.9	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-60.7	-46.7	178.7	-175.7	166.3	-178.2	166.9	0	112.5	A475 Y476 H481 Q482 E483	A475-K479 PolarHBondContact O-N 3.08Å; Y476-K479 PolarHBondContact O-N 2.77Å; K479-H481 PolarHBondContact O-N 2.81Å; K479-Q482 WeakPolarHBondContact O-CB 3.02Å; K479-Q482 PolarHBondContact O-N 3.49Å; K479-E483 PolarHBondContact O-N 3.43Å
480	K	73.9	Confident	68.9	Low	121 Å²	121	93.6 Å²	93.6	53%	0.526	43%	0.434	S	S	.	.	H	α-helix	trans	-63.3	-23.8	173.5	-169.2	-175.5	174.6	-168	0	112.7	Y476 L477 L478	Y476-K480 WeakPolarHBondContact O-CB 3.41Å; Y476-K480 PolarHBondContact O-N 2.96Å; L477-K480 PolarHBondContact O-N 2.84Å; L478-K480 PolarHBondContact O-N 3.22Å
481	H	73.1	Confident	68.7	Low	26 Å²	26	91 Å²	91	12%	0.12	42%	0.423	C	S	.	.	H	α-helix	trans	-83.7	-30.3	171.6	177.3	66.3	0	0	0	112.9	C465 C468 F472 L477 L478 K479 E483 V484 H485	C465-H481 PolarHBondContact SG-CD2 3.24Å; C468-H481 PolarHBondContact SG-NE2 3.39Å; F472-H481 HydrophobicContact CE1-CB 4.15Å; F472-H481 HydrophobicContact CE2-CB 3.73Å; F472-H481 AromaticContact CE2-CD2 3.28Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.29Å; F472-H481 AromaticContact CE2-CG 3.49Å; F472-H481 VanDerWaalsContact CE2-CG 3.49Å; F472-H481 HydrophobicContact CZ-CB 3.51Å; F472-H481 AromaticContact CZ-CD2 3.55Å; F472-H481 AromaticContact CZ-CG 3.29Å; F472-H481 AromaticContact CZ-ND1 3.77Å; L477-H481 VanDerWaalsContact O-CB 3.31Å; L477-H481 WeakPolarHBondContact O-CB 3.33Å; L477-H481 PolarHBondContact O-N 3.2Å; L478-H481 CarbonylContact O-C 3.59Å; L478-H481 WeakPolarHBondContact O-CA 3.4Å; L478-H481 WeakPolarHBondContact O-CB 3.35Å; L478-H481 PolarHBondContact O-N 3.49Å; K479-H481 PolarHBondContact O-N 2.81Å; H481-E483 VanDerWaalsContact C-N 3.27Å; H481-E483 PolarHBondContact O-N 3.32Å; H481-V484 WeakPolarHBondContact O-CA 3.41Å; H481-V484 WeakPolarHBondContact O-CB 3.2Å; H481-V484 WeakPolarHBondContact O-CG2 3.46Å; H481-V484 PolarHBondContact O-N 2.88Å; H481-H485 AromaticContact CD2-NE2 3.78Å; H481-H485 AromaticContact CE1-NE2 3.41Å; H481-H485 PolarHBondContact CE1-NE2 3.01Å; H481-H485 AromaticContact NE2-CD2 3.73Å; H481-H485 AromaticContact NE2-NE2 2.98Å; H481-H485 PolarHBondContact NE2-NE2 2.83Å; H481-H485 PolarHBondContact O-CD2 3.03Å
482	Q	71.4	Confident	68.4	Low	77 Å²	77	97.8 Å²	97.8	36%	0.36	44%	0.441	S	S	.	.	H	α-helix	trans	-66.1	-31.5	169.9	-71.6	165.6	-33.6	0	0	110.9	L478 K479 V484 H485 V486	L478-Q482 HydrophobicContact CD1-CG 4.05Å; L478-Q482 HydrophobicContact CG-CG 4.32Å; L478-Q482 WeakPolarHBondContact O-CG 3.22Å; L478-Q482 PolarHBondContact O-N 2.94Å; K479-Q482 WeakPolarHBondContact O-CB 3.02Å; K479-Q482 PolarHBondContact O-N 3.49Å; Q482-V484 PolarHBondContact O-N 3.26Å; Q482-V484 VanDerWaalsContact O-N 3.1Å; Q482-H485 PolarHBondContact O-N 3.42Å; Q482-V486 WeakPolarHBondContact O-CG2 3.47Å; Q482-V486 PolarHBondContact O-N 2.82Å
483	E	71.1	Confident	68.4	Low	105 Å²	105	95.8 Å²	95.8	49%	0.491	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-8.4	164.2	-64.5	164.5	-161.7	0	0	113.8	K479 H481 K501	K479-E483 PolarHBondContact O-N 3.43Å; H481-E483 VanDerWaalsContact C-N 3.27Å; H481-E483 PolarHBondContact O-N 3.32Å; E483-K501 PolarHBondContact O-NZ 3.2Å
484	V	61.8	Low	68.3	Low	84 Å²	84	96.7 Å²	96.7	51%	0.509	45%	0.451	S	S	.	.	H	α-helix	trans	-80.5	-43	168	-173.4	0	0	0	0	111	H481 Q482 K501	H481-V484 WeakPolarHBondContact O-CA 3.41Å; H481-V484 WeakPolarHBondContact O-CB 3.2Å; H481-V484 WeakPolarHBondContact O-CG2 3.46Å; H481-V484 PolarHBondContact O-N 2.88Å; Q482-V484 PolarHBondContact O-N 3.26Å; Q482-V484 VanDerWaalsContact O-N 3.1Å; V484-K501 VanDerWaalsContact CA-NZ 3.28Å; V484-K501 PolarHBondContact O-NZ 3.02Å
485	H	58.1	Low	67.9	Low	63 Å²	63	93.1 Å²	93.1	29%	0.292	44%	0.439	S	S	.	.	H	α-helix	trans	-83.2	-40.3	-176.3	-62	-64.2	0	0	0	113.9	C465 Q467 C468 H481 Q482 R487	C465-H485 PolarHBondContact SG-CD2 3.3Å; C465-H485 PolarHBondContact SG-NE2 2.75Å; Q467-H485 HydrophobicContact CB-CB 4.29Å; Q467-H485 HydrophobicContact CG-CB 4.39Å; C468-H485 VanDerWaalsContact SG-CE1 3.51Å; C468-H485 PolarHBondContact SG-NE2 3.43Å; H481-H485 AromaticContact CD2-NE2 3.78Å; H481-H485 AromaticContact CE1-NE2 3.41Å; H481-H485 PolarHBondContact CE1-NE2 3.01Å; H481-H485 AromaticContact NE2-CD2 3.73Å; H481-H485 AromaticContact NE2-NE2 2.98Å; H481-H485 PolarHBondContact NE2-NE2 2.83Å; H481-H485 PolarHBondContact O-CD2 3.03Å; Q482-H485 PolarHBondContact O-N 3.42Å; H485-R487 PolarHBondContact O-N 3.04Å
486	V	59.6	Low	67.7	Low	73 Å²	73	92.7 Å²	92.7	44%	0.442	43%	0.432	S	S	.	.	S	Bend	trans	-63.3	109.7	174.2	175.9	0	0	0	0	108.1	Q482 E488	Q482-V486 WeakPolarHBondContact O-CG2 3.47Å; Q482-V486 PolarHBondContact O-N 2.82Å; V486-E488 HydrophobicContact CG1-CB 3.87Å; V486-E488 HydrophobicContact CG1-CG 3.64Å; V486-E488 PolarHBondContact O-N 3.41Å
487	R	51.3	Low	67.1	Low	183 Å²	183	86.1 Å²	86.1	69%	0.691	42%	0.415	S	S	*	.			trans	-65.8	-1.6	-174.3	-75.1	-173.6	173.4	-154.9	-1.8	114.3	H485 R489 D638	H485-R487 PolarHBondContact O-N 3.04Å; R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 2.91Å; R487-D638 IonicContact CZ-OD2 2.82Å; R487-D638 PolarHBondContact NH1-O 3.26Å; R487-D638 IonicContact NH1-OD2 2.7Å; R487-D638 PolarHBondContact NH1-OD2 3.05Å
488	E	53.3	Low	66.8	Low	102 Å²	102	87.8 Å²	87.8	48%	0.477	42%	0.419	S	S	.	.			trans	-60.7	70.7	177.9	-66.3	-169.4	101.5	0	0	114.7	V486 R490	V486-E488 HydrophobicContact CG1-CB 3.87Å; V486-E488 HydrophobicContact CG1-CG 3.64Å; V486-E488 PolarHBondContact O-N 3.41Å; E488-R490 HydrophobicContact CB-CG 4.31Å; E488-R490 PolarHBondContact O-N 3.11Å; E488-R490 IonicContact OE1-CZ 3.36Å; E488-R490 VanDerWaalsContact OE1-CZ 3.28Å; E488-R490 IonicContact OE1-NE 2.8Å; E488-R490 IonicContact OE1-NH1 2.8Å; E488-R490 PolarHBondContact OE1-NH1 3.13Å; E488-R490 IonicContact OE1-NH2 2.77Å; E488-R490 IonicContact OE2-CZ 3.79Å; E488-R490 IonicContact OE2-NH1 3.15Å; E488-R490 PolarHBondContact OE2-NH1 3.28Å; E488-R490 IonicContact OE2-NH2 3.47Å; E488-R490 PolarHBondContact OE2-NH2 2.89Å
489	R	56.4	Low	66.5	Low	135 Å²	135	90.7 Å²	90.7	51%	0.509	44%	0.435	S	S	.	.			trans	-74.3	57.8	167.9	-60.6	-163.9	-168.1	-175.1	8.3	111	R487 F491 L499 Y500 K501	R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 2.91Å; R489-F491 PolarHBondContact O-N 3.15Å; R489-L499 HydrophobicContact CB-CB 3.66Å; R489-L499 WeakPolarHBondContact CD-O 3.19Å; R489-L499 PolarHBondContact NH1-O 3.12Å; R489-Y500 CarbonylContact C-O 3.56Å; R489-Y500 VanDerWaalsContact C-O 3.3Å; R489-K501 HydrophobicContact CG-CG 4.2Å
490	R	61.9	Low	66.6	Low	161 Å²	161	87.2 Å²	87.2	61%	0.608	42%	0.418	S	S	*	.			trans	-52.2	-11.9	-169.4	-88.3	178.2	-76	-119.6	-19	117.5	E488	E488-R490 HydrophobicContact CB-CG 4.31Å; E488-R490 PolarHBondContact O-N 3.11Å; E488-R490 IonicContact OE1-CZ 3.36Å; E488-R490 VanDerWaalsContact OE1-CZ 3.28Å; E488-R490 IonicContact OE1-NE 2.8Å; E488-R490 IonicContact OE1-NH1 2.8Å; E488-R490 PolarHBondContact OE1-NH1 3.13Å; E488-R490 IonicContact OE1-NH2 2.77Å; E488-R490 IonicContact OE2-CZ 3.79Å; E488-R490 IonicContact OE2-NH1 3.15Å; E488-R490 PolarHBondContact OE2-NH1 3.28Å; E488-R490 IonicContact OE2-NH2 3.47Å; E488-R490 PolarHBondContact OE2-NH2 2.89Å
491	F	62.4	Low	66.4	Low	74 Å²	74	85.7 Å²	85.7	33%	0.325	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	94.8	-173.6	-52.9	-70.4	0	0	0	110.9	R489 Y500 T502 I503 V506	R489-F491 PolarHBondContact O-N 3.15Å; F491-Y500 PolarHBondContact N-O 2.99Å; F491-Y500 PolarHBondContact O-N 3.26Å; F491-T502 VanDerWaalsContact CD2-CA 3.46Å; F491-I503 HydrophobicContact CD1-CD1 4.11Å; F491-I503 HydrophobicContact CD1-CG1 3.36Å; F491-I503 HydrophobicContact CD2-CG1 4.31Å; F491-I503 HydrophobicContact CE1-CD1 3.73Å; F491-I503 HydrophobicContact CE1-CG1 3.41Å; F491-I503 VanDerWaalsContact CE1-CG1 3.41Å; F491-I503 HydrophobicContact CE2-CG1 4.33Å; F491-I503 HydrophobicContact CG-CG1 3.83Å; F491-I503 HydrophobicContact CZ-CD1 4.28Å; F491-I503 HydrophobicContact CZ-CG1 3.91Å; F491-V506 HydrophobicContact CB-CG2 3.5Å; F491-V506 VanDerWaalsContact CB-CG2 3.5Å; F491-V506 VanDerWaalsContact O-CG2 3.22Å; F491-V506 WeakPolarHBondContact O-CG2 3.38Å
492	R	65.6	Low	66.5	Low	177 Å²	177	87.1 Å²	87.1	67%	0.668	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	139.1	171.2	-178.9	172.5	-74.8	-135.5	4	110.7	G497 L499	R492-G497 WeakPolarHBondContact CG-O 3.48Å; R492-L499 HydrophobicContact CB-CD2 3.79Å; R492-L499 HydrophobicContact CG-CD2 4.27Å
493	C	78.6	Confident	66.6	Low	0 Å²	0	87.5 Å²	87.5	0%	0	43%	0.426	C	S	.	.			trans	-80.8	119.1	164.8	-171.5	0	0	0	0	109.1	D495 C496 G497 K498 Y500 V506 H509 H513	C493-D495 PolarHBondContact O-N 2.94Å; C493-C496 VanDerWaalsContact CB-SG 3.6Å; C493-C496 PolarHBondContact O-N 3.1Å; C493-C496 VanDerWaalsContact SG-SG 3.68Å; C493-G497 WeakPolarHBondContact O-CA 3.37Å; C493-G497 PolarHBondContact O-N 2.95Å; C493-K498 WeakPolarHBondContact CB-O 3.45Å; C493-K498 PolarHBondContact N-O 3.1Å; C493-Y500 HydrophobicContact CB-CE2 4.24Å; C493-V506 HydrophobicContact CB-CG1 4.36Å; C493-H509 VanDerWaalsContact SG-CD2 3.56Å; C493-H513 PolarHBondContact SG-NE2 2.7Å
494	G	70.3	Confident	66.8	Low	71 Å²	71	85.9 Å²	85.9	73%	0.732	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.1	-179.4	0	0	0	0	0	113.3
495	D	71.7	Confident	67.6	Low	66 Å²	66	87.3 Å²	87.3	35%	0.353	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.5	-173.7	-27.7	-57.9	0	0	0	113.8	C493 R510 H513	C493-D495 PolarHBondContact O-N 2.94Å; D495-R510 IonicContact OD1-CZ 3.03Å; D495-R510 VanDerWaalsContact OD1-CZ 3.31Å; D495-R510 IonicContact OD1-NE 3.93Å; D495-R510 PolarHBondContact OD1-NE 2.68Å; D495-R510 IonicContact OD1-NH2 3.28Å; D495-R510 PolarHBondContact OD1-NH2 3.35Å; D495-R510 VanDerWaalsContact OD2-CG 3.22Å; D495-R510 WeakPolarHBondContact OD2-CG 3.4Å; D495-R510 IonicContact OD2-CZ 3.65Å; D495-R510 IonicContact OD2-NE 3.59Å; D495-R510 PolarHBondContact OD2-NE 2.94Å; D495-R510 IonicContact OD2-NH2 3.65Å; D495-H513 HydrophobicContact CB-CB 3.95Å; D495-H513 IonicContact OD2-CD2 2.64Å
496	C	68.8	Low	68.6	Low	42 Å²	42	85 Å²	85	28%	0.284	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-164.6	10.7	-176.2	70.8	0	0	0	0	116.6	C493 K498 H509 H513	C493-C496 VanDerWaalsContact CB-SG 3.6Å; C493-C496 PolarHBondContact O-N 3.1Å; C493-C496 VanDerWaalsContact SG-SG 3.68Å; C496-K498 PolarHBondContact O-N 2.92Å; C496-H509 PolarHBondContact SG-NE2 2.89Å; C496-H513 WeakPolarHBondContact CB-CE1 3.49Å; C496-H513 VanDerWaalsContact CB-NE2 3.28Å; C496-H513 WeakPolarHBondContact CB-NE2 3.42Å; C496-H513 VanDerWaalsContact SG-CE1 3.58Å; C496-H513 PolarHBondContact SG-NE2 2.87Å
497	G	67.6	Low	69.5	Low	29 Å²	29	90.1 Å²	90.1	30%	0.299	43%	0.433	S	S	.	.			trans	70.1	-21.4	-177.9	0	0	0	0	0	116.7	R492 C493 L499	R492-G497 WeakPolarHBondContact CG-O 3.48Å; C493-G497 WeakPolarHBondContact O-CA 3.37Å; C493-G497 PolarHBondContact O-N 2.95Å; G497-L499 PolarHBondContact O-N 3.14Å
498	K	71.7	Confident	70.8	Confident	107 Å²	107	82.7 Å²	82.7	47%	0.465	41%	0.413	S	S	.	.			trans	-57.8	130.6	-170.8	-68.1	176.4	-179.3	176.3	0	112.5	C493 C496 Y500	C493-K498 WeakPolarHBondContact CB-O 3.45Å; C493-K498 PolarHBondContact N-O 3.1Å; C496-K498 PolarHBondContact O-N 2.92Å; K498-Y500 HydrophobicContact CB-CE2 3.73Å; K498-Y500 WeakPolarHBondContact O-CD2 3.22Å; K498-Y500 VanDerWaalsContact O-CE2 3.25Å; K498-Y500 WeakPolarHBondContact O-CE2 3.25Å
499	L	71.9	Confident	72.1	Confident	79 Å²	79	79 Å²	79	41%	0.414	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.5	-172.7	-61.3	-178.5	0	0	0	112.7	R489 R492 G497	R489-L499 HydrophobicContact CB-CB 3.66Å; R489-L499 WeakPolarHBondContact CD-O 3.19Å; R489-L499 PolarHBondContact NH1-O 3.12Å; R492-L499 HydrophobicContact CB-CD2 3.79Å; R492-L499 HydrophobicContact CG-CD2 4.27Å; G497-L499 PolarHBondContact O-N 3.14Å
500	Y	78.3	Confident	73	Confident	57 Å²	57	78.8 Å²	78.8	22%	0.224	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.3	-176.8	-65.7	-88.3	0	0	0	113.5	R489 F491 C493 K498 T502 H505 V506 H509	R489-Y500 CarbonylContact C-O 3.56Å; R489-Y500 VanDerWaalsContact C-O 3.3Å; F491-Y500 PolarHBondContact N-O 2.99Å; F491-Y500 PolarHBondContact O-N 3.26Å; C493-Y500 HydrophobicContact CB-CE2 4.24Å; K498-Y500 HydrophobicContact CB-CE2 3.73Å; K498-Y500 WeakPolarHBondContact O-CD2 3.22Å; K498-Y500 VanDerWaalsContact O-CE2 3.25Å; K498-Y500 WeakPolarHBondContact O-CE2 3.25Å; Y500-T502 VanDerWaalsContact C-N 3.35Å; Y500-T502 PolarHBondContact O-N 3.26Å; Y500-H505 HydrophobicContact CD1-CB 3.92Å; Y500-H505 HydrophobicContact CG-CB 4.27Å; Y500-V506 HydrophobicContact CD2-CG2 3.91Å; Y500-V506 HydrophobicContact CG-CG2 4.12Å; Y500-H509 HydrophobicContact CE1-CB 4.25Å; Y500-H509 HydrophobicContact CE2-CB 4.09Å; Y500-H509 AromaticContact CE2-CD2 3.4Å; Y500-H509 WeakPolarHBondContact CE2-CD2 3.4Å; Y500-H509 AromaticContact CE2-CG 3.88Å; Y500-H509 AromaticContact CZ-CD2 3.49Å; Y500-H509 VanDerWaalsContact CZ-CD2 3.49Å; Y500-H509 AromaticContact CZ-CG 3.58Å; Y500-H509 PolarHBondContact OH-CD2 3.14Å; Y500-H509 PolarHBondContact OH-NE2 3.23Å
501	K	70.5	Confident	73.5	Confident	89 Å²	89	77.9 Å²	77.9	39%	0.387	39%	0.392	S	S	.	.	S	Bend	trans	-72.3	-20.9	-178.9	-61.3	-163.2	171.6	-147.8	0	114.6	E483 V484 R489	E483-K501 PolarHBondContact O-NZ 3.2Å; V484-K501 VanDerWaalsContact CA-NZ 3.28Å; V484-K501 PolarHBondContact O-NZ 3.02Å; R489-K501 HydrophobicContact CG-CG 4.2Å
502	T	74.3	Confident	73.9	Confident	55 Å²	55	78.3 Å²	78.3	34%	0.337	40%	0.4	S	S	.	.	S	Bend	trans	-146.2	153.4	176.2	74	0	0	0	0	112.3	F491 Y500 A504 H505 V506	F491-T502 VanDerWaalsContact CD2-CA 3.46Å; Y500-T502 VanDerWaalsContact C-N 3.35Å; Y500-T502 PolarHBondContact O-N 3.26Å; T502-A504 PolarHBondContact O-N 2.82Å; T502-A504 PolarHBondContact OG1-N 3.01Å; T502-H505 PolarHBondContact O-N 3.26Å; T502-H505 PolarHBondContact OG1-N 2.89Å; T502-H505 PolarHBondContact OG1-ND1 2.85Å; T502-V506 PolarHBondContact O-N 2.8Å; T502-V506 VanDerWaalsContact O-N 3.12Å
503	I	73.4	Confident	74.1	Confident	85 Å²	85	73.5 Å²	73.5	44%	0.436	39%	0.385	S	S	.	.	H	α-helix	trans	-55.8	-31.7	171.5	-57.3	173.3	0	0	0	111.6	F491 V506 R507	F491-I503 HydrophobicContact CD1-CD1 4.11Å; F491-I503 HydrophobicContact CD1-CG1 3.36Å; F491-I503 HydrophobicContact CD2-CG1 4.31Å; F491-I503 HydrophobicContact CE1-CD1 3.73Å; F491-I503 HydrophobicContact CE1-CG1 3.41Å; F491-I503 VanDerWaalsContact CE1-CG1 3.41Å; F491-I503 HydrophobicContact CE2-CG1 4.33Å; F491-I503 HydrophobicContact CG-CG1 3.83Å; F491-I503 HydrophobicContact CZ-CD1 4.28Å; F491-I503 HydrophobicContact CZ-CG1 3.91Å; I503-V506 PolarHBondContact O-N 3.44Å; I503-R507 HydrophobicContact CG2-CG 4.33Å; I503-R507 WeakPolarHBondContact O-CB 3.22Å; I503-R507 WeakPolarHBondContact O-CG 3.44Å; I503-R507 PolarHBondContact O-N 2.7Å
504	A	76.1	Confident	73.6	Confident	71 Å²	71	75.5 Å²	75.5	59%	0.587	40%	0.399	S	S	*	.	H	α-helix	trans	-65.7	-38.2	176.8	0	0	0	0	0	112	T502 G508	T502-A504 PolarHBondContact O-N 2.82Å; T502-A504 PolarHBondContact OG1-N 3.01Å; A504-G508 PolarHBondContact O-N 3.38Å
505	H	78.8	Confident	73.4	Confident	114 Å²	114	77.7 Å²	77.7	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-70.2	-39.3	172.9	-65.4	120.1	0	0	0	112	Y500 T502 G508 H509	Y500-H505 HydrophobicContact CD1-CB 3.92Å; Y500-H505 HydrophobicContact CG-CB 4.27Å; T502-H505 PolarHBondContact O-N 3.26Å; T502-H505 PolarHBondContact OG1-N 2.89Å; T502-H505 PolarHBondContact OG1-ND1 2.85Å; H505-G508 CarbonylContact O-C 3.48Å; H505-G508 WeakPolarHBondContact O-CA 3.48Å; H505-G508 PolarHBondContact O-N 2.71Å; H505-G508 VanDerWaalsContact O-N 3.14Å; H505-H509 WeakPolarHBondContact O-CB 3.22Å; H505-H509 PolarHBondContact O-N 2.93Å
506	V	78.8	Confident	73.3	Confident	14 Å²	14	81.5 Å²	81.5	9%	0.085	41%	0.41	C	S	.	.	H	α-helix	trans	-58.6	-51.9	171.9	-179.5	0	0	0	0	110.8	F491 C493 Y500 T502 I503 G508 H509 R510	F491-V506 HydrophobicContact CB-CG2 3.5Å; F491-V506 VanDerWaalsContact CB-CG2 3.5Å; F491-V506 VanDerWaalsContact O-CG2 3.22Å; F491-V506 WeakPolarHBondContact O-CG2 3.38Å; C493-V506 HydrophobicContact CB-CG1 4.36Å; Y500-V506 HydrophobicContact CD2-CG2 3.91Å; Y500-V506 HydrophobicContact CG-CG2 4.12Å; T502-V506 PolarHBondContact O-N 2.8Å; T502-V506 VanDerWaalsContact O-N 3.12Å; I503-V506 PolarHBondContact O-N 3.44Å; V506-G508 PolarHBondContact O-N 3.03Å; V506-H509 CarbonylContact O-C 3.25Å; V506-H509 WeakPolarHBondContact O-CA 3.43Å; V506-H509 PolarHBondContact O-N 2.86Å; V506-R510 HydrophobicContact CG1-CG 4.1Å; V506-R510 WeakPolarHBondContact O-CG 3.17Å; V506-R510 PolarHBondContact O-N 2.96Å
507	R	78.2	Confident	73.7	Confident	182 Å²	182	85.1 Å²	85.1	69%	0.687	42%	0.418	S	S	*	.	H	α-helix	trans	-60.5	-29.3	176	-70.4	177.1	-178.8	-179.2	0.4	112.9	I503	I503-R507 HydrophobicContact CG2-CG 4.33Å; I503-R507 WeakPolarHBondContact O-CB 3.22Å; I503-R507 WeakPolarHBondContact O-CG 3.44Å; I503-R507 PolarHBondContact O-N 2.7Å
508	G	77.6	Confident	74.3	Confident	27 Å²	27	87 Å²	87	28%	0.278	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-46.8	169.3	0	0	0	0	0	112.3	A504 H505 V506	A504-G508 PolarHBondContact O-N 3.38Å; H505-G508 CarbonylContact O-C 3.48Å; H505-G508 WeakPolarHBondContact O-CA 3.48Å; H505-G508 PolarHBondContact O-N 2.71Å; H505-G508 VanDerWaalsContact O-N 3.14Å; V506-G508 PolarHBondContact O-N 3.03Å
509	H	81	Confident	74.7	Confident	25 Å²	25	85.9 Å²	85.9	12%	0.116	42%	0.418	C	S	.	.	H	α-helix	trans	-75.6	-31.9	-178	179.6	49.6	0	0	0	114.4	C493 C496 Y500 H505 V506 R511 V512 H513	C493-H509 VanDerWaalsContact SG-CD2 3.56Å; C496-H509 PolarHBondContact SG-NE2 2.89Å; Y500-H509 HydrophobicContact CE1-CB 4.25Å; Y500-H509 HydrophobicContact CE2-CB 4.09Å; Y500-H509 AromaticContact CE2-CD2 3.4Å; Y500-H509 WeakPolarHBondContact CE2-CD2 3.4Å; Y500-H509 AromaticContact CE2-CG 3.88Å; Y500-H509 AromaticContact CZ-CD2 3.49Å; Y500-H509 VanDerWaalsContact CZ-CD2 3.49Å; Y500-H509 AromaticContact CZ-CG 3.58Å; Y500-H509 PolarHBondContact OH-CD2 3.14Å; Y500-H509 PolarHBondContact OH-NE2 3.23Å; H505-H509 WeakPolarHBondContact O-CB 3.22Å; H505-H509 PolarHBondContact O-N 2.93Å; V506-H509 CarbonylContact O-C 3.25Å; V506-H509 WeakPolarHBondContact O-CA 3.43Å; V506-H509 PolarHBondContact O-N 2.86Å; H509-R511 PolarHBondContact O-N 2.82Å; H509-R511 VanDerWaalsContact O-N 3.08Å; H509-V512 WeakPolarHBondContact O-CA 3.48Å; H509-V512 WeakPolarHBondContact O-CB 3.36Å; H509-V512 WeakPolarHBondContact O-CG2 3.37Å; H509-V512 PolarHBondContact O-N 2.7Å; H509-H513 AromaticContact CD2-NE2 2.89Å; H509-H513 PolarHBondContact CD2-NE2 3.02Å; H509-H513 AromaticContact CE1-CE1 4Å; H509-H513 AromaticContact CE1-NE2 2.92Å; H509-H513 PolarHBondContact CE1-NE2 3.1Å; H509-H513 AromaticContact CG-NE2 3.81Å; H509-H513 AromaticContact ND1-NE2 3.81Å; H509-H513 AromaticContact NE2-CD2 3.94Å; H509-H513 AromaticContact NE2-CE1 3.88Å; H509-H513 AromaticContact NE2-NE2 2.17Å; H509-H513 PolarHBondContact NE2-NE2 2.85Å
510	R	75.1	Confident	75.3	Confident	129 Å²	129	85 Å²	85	49%	0.487	42%	0.416	S	S	.	.	H	α-helix	trans	-59.5	-21.6	174.1	-63.9	-163.4	73.6	-156.1	2.6	113	D495 V506 V512 H513 S514	D495-R510 IonicContact OD1-CZ 3.03Å; D495-R510 VanDerWaalsContact OD1-CZ 3.31Å; D495-R510 IonicContact OD1-NE 3.93Å; D495-R510 PolarHBondContact OD1-NE 2.68Å; D495-R510 IonicContact OD1-NH2 3.28Å; D495-R510 PolarHBondContact OD1-NH2 3.35Å; D495-R510 VanDerWaalsContact OD2-CG 3.22Å; D495-R510 WeakPolarHBondContact OD2-CG 3.4Å; D495-R510 IonicContact OD2-CZ 3.65Å; D495-R510 IonicContact OD2-NE 3.59Å; D495-R510 PolarHBondContact OD2-NE 2.94Å; D495-R510 IonicContact OD2-NH2 3.65Å; V506-R510 HydrophobicContact CG1-CG 4.1Å; V506-R510 WeakPolarHBondContact O-CG 3.17Å; V506-R510 PolarHBondContact O-N 2.96Å; R510-V512 PolarHBondContact O-N 3.03Å; R510-H513 PolarHBondContact O-N 3.44Å; R510-S514 PolarHBondContact O-N 3.46Å
511	R	72.5	Confident	75.8	Confident	142 Å²	142	82.3 Å²	82.3	54%	0.536	41%	0.406	S	S	.	.	H	α-helix	trans	-77.1	5.6	169.2	-63.4	-177.8	-67.1	-149.7	1.5	114.3	H509 K529	H509-R511 PolarHBondContact O-N 2.82Å; H509-R511 VanDerWaalsContact O-N 3.08Å; R511-K529 WeakPolarHBondContact O-CD 3.47Å
512	V	70.4	Confident	76.3	Confident	83 Å²	83	82.7 Å²	82.7	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-91.9	-35.4	165.1	-176.1	0	0	0	0	109.8	H509 R510 K529	H509-V512 WeakPolarHBondContact O-CA 3.48Å; H509-V512 WeakPolarHBondContact O-CB 3.36Å; H509-V512 WeakPolarHBondContact O-CG2 3.37Å; H509-V512 PolarHBondContact O-N 2.7Å; R510-V512 PolarHBondContact O-N 3.03Å; V512-K529 PolarHBondContact O-NZ 3.48Å
513	H	71.3	Confident	76.4	Confident	77 Å²	77	85.3 Å²	85.3	36%	0.356	43%	0.426	S	S	.	.	H	α-helix	trans	-80.8	-36.5	177.3	-57.1	-55.2	0	0	0	113.2	C493 D495 C496 H509 R510 D515	C493-H513 PolarHBondContact SG-NE2 2.7Å; D495-H513 HydrophobicContact CB-CB 3.95Å; D495-H513 IonicContact OD2-CD2 2.64Å; C496-H513 WeakPolarHBondContact CB-CE1 3.49Å; C496-H513 VanDerWaalsContact CB-NE2 3.28Å; C496-H513 WeakPolarHBondContact CB-NE2 3.42Å; C496-H513 VanDerWaalsContact SG-CE1 3.58Å; C496-H513 PolarHBondContact SG-NE2 2.87Å; H509-H513 AromaticContact CD2-NE2 2.89Å; H509-H513 PolarHBondContact CD2-NE2 3.02Å; H509-H513 AromaticContact CE1-CE1 4Å; H509-H513 AromaticContact CE1-NE2 2.92Å; H509-H513 PolarHBondContact CE1-NE2 3.1Å; H509-H513 AromaticContact CG-NE2 3.81Å; H509-H513 AromaticContact ND1-NE2 3.81Å; H509-H513 AromaticContact NE2-CD2 3.94Å; H509-H513 AromaticContact NE2-CE1 3.88Å; H509-H513 AromaticContact NE2-NE2 2.17Å; H509-H513 PolarHBondContact NE2-NE2 2.85Å; R510-H513 PolarHBondContact O-N 3.44Å; H513-D515 PolarHBondContact O-N 3.01Å
514	S	68.1	Low	76.8	Confident	42 Å²	42	83.7 Å²	83.7	29%	0.294	42%	0.422	S	S	.	.	S	Bend	trans	-65.5	127.4	164.5	176.2	0	0	0	0	109.8	R510 E516 K529	R510-S514 PolarHBondContact O-N 3.46Å; S514-E516 WeakPolarHBondContact OG-CB 3.33Å; S514-E516 WeakPolarHBondContact OG-CG 3.06Å; S514-E516 PolarHBondContact OG-N 3.45Å; S514-K529 WeakPolarHBondContact O-CE 3.05Å; S514-K529 PolarHBondContact O-NZ 3.48Å
515	D	65.3	Low	77	Confident	117 Å²	117	82.5 Å²	82.5	63%	0.626	42%	0.417	S	S	*	.			trans	-83.1	4.2	171.7	-84.7	-49	0	0	0	114.6	H513 R517 K529	H513-D515 PolarHBondContact O-N 3.01Å; D515-R517 PolarHBondContact O-N 2.98Å; D515-K529 WeakPolarHBondContact OD1-CE 3.42Å; D515-K529 IonicContact OD1-NZ 3.7Å; D515-K529 PolarHBondContact OD1-NZ 3.49Å
516	E	69.7	Low	77.2	Confident	145 Å²	145	83 Å²	83	68%	0.678	42%	0.417	S	S	*	.			trans	-54.4	118.3	161	-68.3	177.6	-147.8	0	0	109.8	S514 P518	S514-E516 WeakPolarHBondContact OG-CB 3.33Å; S514-E516 WeakPolarHBondContact OG-CG 3.06Å; S514-E516 PolarHBondContact OG-N 3.45Å; E516-P518 HydrophobicContact CB-CG 4.48Å; E516-P518 WeakPolarHBondContact O-CD 3.36Å
517	R	77.6	Confident	77.5	Confident	119 Å²	119	89.1 Å²	89.1	45%	0.449	44%	0.439	S	S	.	.			trans	-113.5	85.3	171.8	-69.3	158.8	178.4	-120.1	12.1	107.1	D515 Y519 R527 Y528 K529	D515-R517 PolarHBondContact O-N 2.98Å; R517-Y519 PolarHBondContact O-N 3.33Å; R517-R527 HydrophobicContact CB-CB 3.48Å; R517-R527 VanDerWaalsContact CB-CB 3.48Å; R517-R527 WeakPolarHBondContact CD-O 3.18Å; R517-R527 HydrophobicContact CG-CB 4.44Å; R517-R527 PolarHBondContact NH1-O 3.41Å; R517-R527 PolarHBondContact O-NE 3.04Å; R517-R527 PolarHBondContact O-NH2 2.77Å; R517-Y528 CarbonylContact C-O 3.3Å; R517-Y528 WeakPolarHBondContact CA-O 3.45Å; R517-K529 HydrophobicContact CG-CG 3.68Å
518	P	79.3	Confident	77.7	Confident	67 Å²	67	83 Å²	83	44%	0.435	42%	0.416	S	S	.	.			trans	-75.3	-8.4	-168	-17.5	33.7	0	0	0	113.8	E516 P520	E516-P518 HydrophobicContact CB-CG 4.48Å; E516-P518 WeakPolarHBondContact O-CD 3.36Å; P518-P520 WeakPolarHBondContact O-CD 3.1Å
519	Y	81.3	Confident	77.6	Confident	84 Å²	84	84 Å²	84	33%	0.329	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	86.3	-170.6	-56.5	-74.7	0	0	0	110.9	R517 Y528 K531	R517-Y519 PolarHBondContact O-N 3.33Å; Y519-Y528 PolarHBondContact N-O 3.42Å; Y519-Y528 PolarHBondContact O-N 3.38Å; Y519-K531 HydrophobicContact CD1-CB 3.99Å; Y519-K531 HydrophobicContact CD1-CG 4.45Å; Y519-K531 HydrophobicContact CE1-CB 3.88Å; Y519-K531 HydrophobicContact CG-CB 4.41Å
520	P	84.2	Confident	77.6	Confident	60 Å²	60	86 Å²	86	39%	0.39	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.5	172.2	30	-34.4	0	0	0	111.1	P518 K526 R527 Q534	P518-P520 WeakPolarHBondContact O-CD 3.1Å; P520-K526 CarbonylContact C-O 3.41Å; P520-R527 HydrophobicContact CB-CG 4.21Å; P520-Q534 PolarHBondContact O-NE2 3.47Å
521	C	88.1	Confident	77.8	Confident	2 Å²	2	85.8 Å²	85.8	1%	0.014	43%	0.43	C	S	.	.			trans	-72.8	128.1	167.2	-171.6	0	0	0	0	109.4	E523 G525 K526 Y528 H537 H541	C521-E523 VanDerWaalsContact C-N 3.31Å; C521-E523 PolarHBondContact O-N 3.04Å; C521-G525 WeakPolarHBondContact O-CA 3.28Å; C521-G525 PolarHBondContact O-N 2.63Å; C521-K526 WeakPolarHBondContact CB-O 3.42Å; C521-K526 PolarHBondContact N-O 3.26Å; C521-Y528 HydrophobicContact CB-CE2 4.41Å; C521-H537 VanDerWaalsContact SG-CD2 3.54Å; C521-H541 VanDerWaalsContact SG-CD2 3.55Å; C521-H541 PolarHBondContact SG-NE2 3.06Å; C521-H541 VanDerWaalsContact SG-NE2 3.39Å
522	P	80.8	Confident	78.3	Confident	96 Å²	96	84.8 Å²	84.8	62%	0.623	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.3	-175.5	25.9	-35.1	0	0	0	113.3	F538	P522-F538 HydrophobicContact CG-CD2 3.62Å; P522-F538 HydrophobicContact CG-CE2 3.51Å; P522-F538 HydrophobicContact CG-CZ 4.44Å
523	E	77.9	Confident	78.8	Confident	110 Å²	110	82.8 Å²	82.8	51%	0.514	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-17.9	-174.8	-70.2	179.1	-107.5	0	0	114.8	C521 F538 H541	C521-E523 VanDerWaalsContact C-N 3.31Å; C521-E523 PolarHBondContact O-N 3.04Å; E523-F538 HydrophobicContact CG-CE2 4.24Å; E523-F538 WeakPolarHBondContact OE1-CE2 3.41Å; E523-H541 HydrophobicContact CB-CB 4.41Å; E523-H541 VanDerWaalsContact CD-CB 3.46Å; E523-H541 WeakPolarHBondContact OE1-CB 3.4Å; E523-H541 VanDerWaalsContact OE2-CB 3.27Å; E523-H541 WeakPolarHBondContact OE2-CB 3.38Å; E523-H541 IonicContact OE2-CG 2.64Å
524	C	80.6	Confident	79.6	Confident	51 Å²	51	80.8 Å²	80.8	35%	0.345	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.4	12	-176.3	71	0	0	0	0	115.2	K526 H537 H541	C524-K526 PolarHBondContact O-N 2.85Å; C524-H537 PolarHBondContact SG-NE2 2.92Å; C524-H541 VanDerWaalsContact SG-CE1 3.52Å; C524-H541 PolarHBondContact SG-NE2 2.86Å
525	G	79.9	Confident	80.3	Confident	47 Å²	47	83.2 Å²	83.2	49%	0.485	42%	0.424	S	S	.	.			trans	68.7	-20.5	177.2	0	0	0	0	0	116.5	C521 R527	C521-G525 WeakPolarHBondContact O-CA 3.28Å; C521-G525 PolarHBondContact O-N 2.63Å; G525-R527 VanDerWaalsContact O-CG 3.24Å; G525-R527 WeakPolarHBondContact O-CG 3.43Å; G525-R527 PolarHBondContact O-N 2.85Å
526	K	83.8	Confident	81	Confident	123 Å²	123	80.5 Å²	80.5	54%	0.535	41%	0.412	S	S	.	.			trans	-50	124.1	-174.8	-69.9	178.9	-176.8	175.3	0	111.4	P520 C521 C524 Y528	P520-K526 CarbonylContact C-O 3.41Å; C521-K526 WeakPolarHBondContact CB-O 3.42Å; C521-K526 PolarHBondContact N-O 3.26Å; C524-K526 PolarHBondContact O-N 2.85Å; K526-Y528 HydrophobicContact CB-CE2 3.79Å; K526-Y528 VanDerWaalsContact O-CD2 3.26Å; K526-Y528 WeakPolarHBondContact O-CD2 3.48Å; K526-Y528 WeakPolarHBondContact O-CE2 3.49Å
527	R	83.9	Confident	81.6	Confident	143 Å²	143	74.9 Å²	74.9	54%	0.54	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.4	-170.7	-55	-176.1	63.8	155.4	-1	112.2	R517 P520 G525	R517-R527 HydrophobicContact CB-CB 3.48Å; R517-R527 VanDerWaalsContact CB-CB 3.48Å; R517-R527 WeakPolarHBondContact CD-O 3.18Å; R517-R527 HydrophobicContact CG-CB 4.44Å; R517-R527 PolarHBondContact NH1-O 3.41Å; R517-R527 PolarHBondContact O-NE 3.04Å; R517-R527 PolarHBondContact O-NH2 2.77Å; P520-R527 HydrophobicContact CB-CG 4.21Å; G525-R527 VanDerWaalsContact O-CG 3.24Å; G525-R527 WeakPolarHBondContact O-CG 3.43Å; G525-R527 PolarHBondContact O-N 2.85Å
528	Y	83.5	Confident	81.7	Confident	55 Å²	55	72.4 Å²	72.4	22%	0.216	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.2	-176.2	-64.7	-87.8	0	0	0	112.5	R517 Y519 C521 K526 T530 A533 Q534 H537	R517-Y528 CarbonylContact C-O 3.3Å; R517-Y528 WeakPolarHBondContact CA-O 3.45Å; Y519-Y528 PolarHBondContact N-O 3.42Å; Y519-Y528 PolarHBondContact O-N 3.38Å; C521-Y528 HydrophobicContact CB-CE2 4.41Å; K526-Y528 HydrophobicContact CB-CE2 3.79Å; K526-Y528 VanDerWaalsContact O-CD2 3.26Å; K526-Y528 WeakPolarHBondContact O-CD2 3.48Å; K526-Y528 WeakPolarHBondContact O-CE2 3.49Å; Y528-T530 VanDerWaalsContact C-N 3.31Å; Y528-T530 PolarHBondContact O-N 3.01Å; Y528-A533 HydrophobicContact CD1-CB 3.95Å; Y528-A533 HydrophobicContact CG-CB 4.38Å; Y528-Q534 HydrophobicContact CD2-CB 4.21Å; Y528-Q534 HydrophobicContact CG-CB 4.35Å; Y528-H537 HydrophobicContact CE1-CB 4.09Å; Y528-H537 HydrophobicContact CE2-CB 3.93Å; Y528-H537 AromaticContact CE2-CD2 3.35Å; Y528-H537 WeakPolarHBondContact CE2-CD2 3.48Å; Y528-H537 AromaticContact CE2-CG 3.76Å; Y528-H537 AromaticContact CZ-CD2 3.49Å; Y528-H537 VanDerWaalsContact CZ-CD2 3.49Å; Y528-H537 AromaticContact CZ-CG 3.47Å; Y528-H537 VanDerWaalsContact CZ-CG 3.47Å; Y528-H537 PolarHBondContact OH-CD2 3.02Å; Y528-H537 PolarHBondContact OH-ND1 3.38Å
529	K	76.2	Confident	81.5	Confident	47 Å²	47	74.6 Å²	74.6	20%	0.204	38%	0.378	C	S	.	.	S	Bend	trans	-77	-10.9	176.9	-55.4	-159.6	-174.2	-162.4	0	113.5	R511 V512 S514 D515 R517	R511-K529 WeakPolarHBondContact O-CD 3.47Å; V512-K529 PolarHBondContact O-NZ 3.48Å; S514-K529 WeakPolarHBondContact O-CE 3.05Å; S514-K529 PolarHBondContact O-NZ 3.48Å; D515-K529 WeakPolarHBondContact OD1-CE 3.42Å; D515-K529 IonicContact OD1-NZ 3.7Å; D515-K529 PolarHBondContact OD1-NZ 3.49Å; R517-K529 HydrophobicContact CG-CG 3.68Å
530	T	79.9	Confident	81.2	Confident	67 Å²	67	73.5 Å²	73.5	41%	0.411	38%	0.38	S	S	.	.	S	Bend	trans	-141.2	150.8	173.6	72.3	0	0	0	0	113.3	Y528 N532 A533 Q534	Y528-T530 VanDerWaalsContact C-N 3.31Å; Y528-T530 PolarHBondContact O-N 3.01Å; T530-N532 VanDerWaalsContact C-N 3.31Å; T530-N532 PolarHBondContact O-N 3.31Å; T530-A533 PolarHBondContact O-N 3.47Å; T530-A533 WeakPolarHBondContact OG1-CB 3.46Å; T530-A533 PolarHBondContact OG1-N 2.83Å; T530-Q534 PolarHBondContact O-N 3.46Å
531	K	80	Confident	80.7	Confident	125 Å²	125	73.1 Å²	73.1	54%	0.543	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-35	174.6	-171.6	175.9	-179.1	-179.8	0	112.7	Y519 Q534 Q535	Y519-K531 HydrophobicContact CD1-CB 3.99Å; Y519-K531 HydrophobicContact CD1-CG 4.45Å; Y519-K531 HydrophobicContact CE1-CB 3.88Å; Y519-K531 HydrophobicContact CG-CB 4.41Å; K531-Q534 WeakPolarHBondContact O-CB 3.22Å; K531-Q534 PolarHBondContact O-N 3.27Å; K531-Q535 WeakPolarHBondContact O-CB 3.31Å; K531-Q535 PolarHBondContact O-N 3.14Å
532	N	82.3	Confident	79.7	Confident	121 Å²	121	76.5 Å²	76.5	65%	0.647	39%	0.39	S	S	*	.	H	α-helix	trans	-66.8	-41.9	178.1	-70.7	31.7	0	0	0	111.2	T530 Q535 V536	T530-N532 VanDerWaalsContact C-N 3.31Å; T530-N532 PolarHBondContact O-N 3.31Å; N532-Q535 PolarHBondContact O-N 3.01Å; N532-V536 WeakPolarHBondContact O-CG2 3.05Å; N532-V536 PolarHBondContact O-N 2.85Å
533	A	81.3	Confident	78.9	Confident	40 Å²	40	79 Å²	79	33%	0.331	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-41.6	174.6	0	0	0	0	0	111.8	Y528 T530 Q535 V536 H537	Y528-A533 HydrophobicContact CD1-CB 3.95Å; Y528-A533 HydrophobicContact CG-CB 4.38Å; T530-A533 PolarHBondContact O-N 3.47Å; T530-A533 WeakPolarHBondContact OG1-CB 3.46Å; T530-A533 PolarHBondContact OG1-N 2.83Å; A533-Q535 VanDerWaalsContact C-N 3.32Å; A533-Q535 PolarHBondContact O-N 3.27Å; A533-V536 PolarHBondContact O-N 2.83Å; A533-H537 WeakPolarHBondContact O-CB 3.4Å; A533-H537 PolarHBondContact O-N 3.48Å
534	Q	88.6	Confident	78.2	Confident	35 Å²	35	80.8 Å²	80.8	16%	0.164	40%	0.402	C	S	.	.	H	α-helix	trans	-56.8	-43.8	170.9	-176.6	-149.5	16.4	0	0	111.5	P520 Y528 T530 K531 H537 F538	P520-Q534 PolarHBondContact O-NE2 3.47Å; Y528-Q534 HydrophobicContact CD2-CB 4.21Å; Y528-Q534 HydrophobicContact CG-CB 4.35Å; T530-Q534 PolarHBondContact O-N 3.46Å; K531-Q534 WeakPolarHBondContact O-CB 3.22Å; K531-Q534 PolarHBondContact O-N 3.27Å; Q534-H537 CarbonylContact O-C 3.24Å; Q534-H537 PolarHBondContact O-N 2.97Å; Q534-F538 VanDerWaalsContact O-CB 3.29Å; Q534-F538 WeakPolarHBondContact O-CB 3.43Å; Q534-F538 PolarHBondContact O-N 2.89Å
535	Q	82.5	Confident	77.7	Confident	93 Å²	93	82.7 Å²	82.7	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-73.4	-38.9	-177.7	-170.5	176.9	10.4	0	0	112.7	K531 N532 A533 H537 F538 R539	K531-Q535 WeakPolarHBondContact O-CB 3.31Å; K531-Q535 PolarHBondContact O-N 3.14Å; N532-Q535 PolarHBondContact O-N 3.01Å; A533-Q535 VanDerWaalsContact C-N 3.32Å; A533-Q535 PolarHBondContact O-N 3.27Å; Q535-H537 VanDerWaalsContact C-N 3.31Å; Q535-F538 PolarHBondContact O-N 3.16Å; Q535-R539 WeakPolarHBondContact O-CG 3.33Å; Q535-R539 PolarHBondContact O-N 3.47Å
536	V	79.9	Confident	77.4	Confident	60 Å²	60	84.9 Å²	84.9	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-41.1	171.5	168	0	0	0	0	110.3	N532 A533 R539 E558	N532-V536 WeakPolarHBondContact O-CG2 3.05Å; N532-V536 PolarHBondContact O-N 2.85Å; A533-V536 PolarHBondContact O-N 2.83Å; V536-R539 WeakPolarHBondContact O-CB 3.47Å; V536-E558 WeakPolarHBondContact CG1-OE1 3.43Å
537	H	82.4	Confident	77	Confident	27 Å²	27	82 Å²	82	13%	0.125	40%	0.399	C	S	.	.	H	α-helix	trans	-72.6	-32.9	173.8	177.9	57.5	0	0	0	113.5	C521 C524 Y528 A533 Q534 Q535 R539 T540 H541	C521-H537 VanDerWaalsContact SG-CD2 3.54Å; C524-H537 PolarHBondContact SG-NE2 2.92Å; Y528-H537 HydrophobicContact CE1-CB 4.09Å; Y528-H537 HydrophobicContact CE2-CB 3.93Å; Y528-H537 AromaticContact CE2-CD2 3.35Å; Y528-H537 WeakPolarHBondContact CE2-CD2 3.48Å; Y528-H537 AromaticContact CE2-CG 3.76Å; Y528-H537 AromaticContact CZ-CD2 3.49Å; Y528-H537 VanDerWaalsContact CZ-CD2 3.49Å; Y528-H537 AromaticContact CZ-CG 3.47Å; Y528-H537 VanDerWaalsContact CZ-CG 3.47Å; Y528-H537 PolarHBondContact OH-CD2 3.02Å; Y528-H537 PolarHBondContact OH-ND1 3.38Å; A533-H537 WeakPolarHBondContact O-CB 3.4Å; A533-H537 PolarHBondContact O-N 3.48Å; Q534-H537 CarbonylContact O-C 3.24Å; Q534-H537 PolarHBondContact O-N 2.97Å; Q535-H537 VanDerWaalsContact C-N 3.31Å; H537-R539 VanDerWaalsContact C-N 3.31Å; H537-R539 PolarHBondContact O-N 3.47Å; H537-T540 PolarHBondContact CE1-OG1 2.86Å; H537-T540 PolarHBondContact ND1-OG1 3.25Å; H537-T540 WeakPolarHBondContact O-CA 3.35Å; H537-T540 WeakPolarHBondContact O-CB 3.19Å; H537-T540 PolarHBondContact O-N 3.07Å; H537-T540 PolarHBondContact O-OG1 2.74Å; H537-H541 AromaticContact CD2-NE2 3.88Å; H537-H541 AromaticContact CE1-CE1 3.81Å; H537-H541 AromaticContact CE1-NE2 3.4Å; H537-H541 PolarHBondContact CE1-NE2 3Å; H537-H541 AromaticContact NE2-CE1 3.77Å; H537-H541 AromaticContact NE2-NE2 3.06Å; H537-H541 PolarHBondContact NE2-NE2 2.81Å
538	F	79.2	Confident	76.8	Confident	67 Å²	67	79.1 Å²	79.1	29%	0.294	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-38.9	174.5	178.9	-114.8	0	0	0	111.3	P522 E523 Q534 Q535 T540 H541 L542	P522-F538 HydrophobicContact CG-CD2 3.62Å; P522-F538 HydrophobicContact CG-CE2 3.51Å; P522-F538 HydrophobicContact CG-CZ 4.44Å; E523-F538 HydrophobicContact CG-CE2 4.24Å; E523-F538 WeakPolarHBondContact OE1-CE2 3.41Å; Q534-F538 VanDerWaalsContact O-CB 3.29Å; Q534-F538 WeakPolarHBondContact O-CB 3.43Å; Q534-F538 PolarHBondContact O-N 2.89Å; Q535-F538 PolarHBondContact O-N 3.16Å; F538-T540 PolarHBondContact O-N 3.26Å; F538-H541 PolarHBondContact O-N 2.84Å; F538-L542 HydrophobicContact CD1-CD1 4.15Å; F538-L542 HydrophobicContact CE1-CD1 3.69Å; F538-L542 HydrophobicContact CE1-CG 4.31Å; F538-L542 HydrophobicContact CZ-CD1 4.19Å; F538-L542 HydrophobicContact CZ-CG 4.37Å
539	R	76.3	Confident	76.8	Confident	114 Å²	114	76.5 Å²	76.5	43%	0.43	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-10.8	166	-68.9	176.7	-176.8	164.7	0.8	114.1	Q535 V536 H537 R557	Q535-R539 WeakPolarHBondContact O-CG 3.33Å; Q535-R539 PolarHBondContact O-N 3.47Å; V536-R539 WeakPolarHBondContact O-CB 3.47Å; H537-R539 VanDerWaalsContact C-N 3.31Å; H537-R539 PolarHBondContact O-N 3.47Å; R539-R557 WeakPolarHBondContact O-CD 3.47Å; R539-R557 PolarHBondContact O-NE 3.2Å; R539-R557 PolarHBondContact O-NH2 2.97Å
540	T	74.4	Confident	76.9	Confident	60 Å²	60	83.1 Å²	83.1	37%	0.368	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.3	173.8	69.9	0	0	0	0	114.4	H537 F538 R557	H537-T540 PolarHBondContact CE1-OG1 2.86Å; H537-T540 PolarHBondContact ND1-OG1 3.25Å; H537-T540 WeakPolarHBondContact O-CA 3.35Å; H537-T540 WeakPolarHBondContact O-CB 3.19Å; H537-T540 PolarHBondContact O-N 3.07Å; H537-T540 PolarHBondContact O-OG1 2.74Å; F538-T540 PolarHBondContact O-N 3.26Å; T540-R557 VanDerWaalsContact C-CZ 3.48Å; T540-R557 VanDerWaalsContact CA-CZ 3.47Å; T540-R557 PolarHBondContact O-NH1 2.87Å; T540-R557 PolarHBondContact O-NH2 3.18Å
541	H	74.1	Confident	76.7	Confident	53 Å²	53	85.9 Å²	85.9	25%	0.245	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-55.4	169.1	-53.6	-66	0	0	0	110.3	C521 E523 C524 H537 F538 E543 R557	C521-H541 VanDerWaalsContact SG-CD2 3.55Å; C521-H541 PolarHBondContact SG-NE2 3.06Å; C521-H541 VanDerWaalsContact SG-NE2 3.39Å; E523-H541 HydrophobicContact CB-CB 4.41Å; E523-H541 VanDerWaalsContact CD-CB 3.46Å; E523-H541 WeakPolarHBondContact OE1-CB 3.4Å; E523-H541 VanDerWaalsContact OE2-CB 3.27Å; E523-H541 WeakPolarHBondContact OE2-CB 3.38Å; E523-H541 IonicContact OE2-CG 2.64Å; C524-H541 VanDerWaalsContact SG-CE1 3.52Å; C524-H541 PolarHBondContact SG-NE2 2.86Å; H537-H541 AromaticContact CD2-NE2 3.88Å; H537-H541 AromaticContact CE1-CE1 3.81Å; H537-H541 AromaticContact CE1-NE2 3.4Å; H537-H541 PolarHBondContact CE1-NE2 3Å; H537-H541 AromaticContact NE2-CE1 3.77Å; H537-H541 AromaticContact NE2-NE2 3.06Å; H537-H541 PolarHBondContact NE2-NE2 2.81Å; F538-H541 PolarHBondContact O-N 2.84Å; H541-E543 PolarHBondContact O-N 3.17Å; H541-R557 PolarHBondContact O-NH2 3.46Å
542	L	67.3	Low	76.7	Confident	73 Å²	73	82.7 Å²	82.7	38%	0.382	42%	0.417	S	S	.	.	S	Bend	trans	-49.6	109	170.9	-62.4	176.7	0	0	0	111.2	F538 E544 R557	F538-L542 HydrophobicContact CD1-CD1 4.15Å; F538-L542 HydrophobicContact CE1-CD1 3.69Å; F538-L542 HydrophobicContact CE1-CG 4.31Å; F538-L542 HydrophobicContact CZ-CD1 4.19Å; F538-L542 HydrophobicContact CZ-CG 4.37Å; L542-E544 PolarHBondContact O-N 2.77Å; L542-R557 VanDerWaalsContact C-NH2 3.31Å; L542-R557 PolarHBondContact O-NE 3.45Å; L542-R557 PolarHBondContact O-NH2 3.19Å
543	E	63.3	Low	76.3	Confident	148 Å²	148	81.7 Å²	81.7	69%	0.692	42%	0.42	S	S	*	.			trans	-66.1	-10.9	-171.9	-68.4	-139.5	104.9	0	0	114.5	H541 K545	H541-E543 PolarHBondContact O-N 3.17Å; E543-K545 WeakPolarHBondContact O-CD 3.3Å; E543-K545 WeakPolarHBondContact O-CG 3.15Å; E543-K545 PolarHBondContact O-N 3.13Å; E543-K545 VanDerWaalsContact O-N 3.13Å
544	E	62.5	Low	76.1	Confident	148 Å²	148	87.8 Å²	87.8	69%	0.692	43%	0.434	S	S	*	.			trans	-46.7	115.3	172.5	-63.3	-172.5	164.3	0	0	111.8	L542 P546	L542-E544 PolarHBondContact O-N 2.77Å; E544-P546 WeakPolarHBondContact O-CD 3.34Å
545	K	70.5	Confident	75.5	Confident	91 Å²	91	87.1 Å²	87.1	40%	0.396	44%	0.437	S	S	.	.			trans	-115.9	70.2	176.5	-72.4	146.8	-173.8	151.2	0	108.9	E543 H547 F556 R557	E543-K545 WeakPolarHBondContact O-CD 3.3Å; E543-K545 WeakPolarHBondContact O-CG 3.15Å; E543-K545 PolarHBondContact O-N 3.13Å; E543-K545 VanDerWaalsContact O-N 3.13Å; K545-H547 PolarHBondContact O-N 3.45Å; K545-F556 CarbonylContact C-O 3.35Å; K545-F556 VanDerWaalsContact C-O 3.25Å; K545-F556 WeakPolarHBondContact CA-O 3.31Å; K545-R557 HydrophobicContact CG-CG 4.22Å
546	P	73.3	Confident	75.3	Confident	92 Å²	92	84.3 Å²	84.3	60%	0.597	42%	0.423	S	S	*	.			trans	-66.8	-2.8	-169.5	28.9	-38.1	0	0	0	114.7	E544	E544-P546 WeakPolarHBondContact O-CD 3.34Å
547	H	75.3	Confident	75	Confident	64 Å²	64	84.6 Å²	84.6	30%	0.296	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	82.1	179.5	-59.6	-46.7	0	0	0	110.1	K545 F556 K559 L562	K545-H547 PolarHBondContact O-N 3.45Å; H547-F556 HydrophobicContact CB-CB 4.37Å; H547-F556 WeakPolarHBondContact CB-O 3.47Å; H547-F556 PolarHBondContact N-O 3.07Å; H547-F556 VanDerWaalsContact N-O 3.1Å; H547-F556 WeakPolarHBondContact O-CB 3.26Å; H547-F556 PolarHBondContact O-N 2.81Å; H547-K559 PolarHBondContact CD2-N 2.92Å; H547-L562 HydrophobicContact CB-CB 3.99Å; H547-L562 HydrophobicContact CB-CD2 3.8Å; H547-L562 HydrophobicContact CB-CG 4.49Å
548	V	79.4	Confident	74.7	Confident	81 Å²	81	87 Å²	87	49%	0.491	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.3	-179.8	-177.4	0	0	0	0	111.3	S553	V548-S553 WeakPolarHBondContact CG1-O 3.43Å
549	C	84.8	Confident	74.7	Confident	1 Å²	1	91 Å²	91	1%	0.007	45%	0.447	C	S	.	.			trans	-76.7	124	173.6	-173.9	0	0	0	0	111.8	F551 S553 R554 F556 L562 H565	C549-F551 VanDerWaalsContact C-N 3.25Å; C549-F551 PolarHBondContact O-N 3.3Å; C549-S553 VanDerWaalsContact O-CA 3.25Å; C549-S553 WeakPolarHBondContact O-CA 3.45Å; C549-S553 PolarHBondContact O-N 2.89Å; C549-R554 WeakPolarHBondContact CB-O 3.46Å; C549-R554 PolarHBondContact N-O 2.79Å; C549-F556 HydrophobicContact CB-CE2 4.2Å; C549-L562 HydrophobicContact CB-CD1 3.74Å; C549-H565 VanDerWaalsContact SG-CD2 3.54Å
550	Q	77.5	Confident	74.8	Confident	186 Å²	186	88.1 Å²	88.1	87%	0.869	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.7	-179.3	-66.5	176.8	-11.9	0	0	113.3
551	F	75.9	Confident	75.1	Confident	124 Å²	124	86.5 Å²	86.5	54%	0.544	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-23.9	-176.3	-60.4	-76.6	0	0	0	114.9	C549 V566 H569	C549-F551 VanDerWaalsContact C-N 3.25Å; C549-F551 PolarHBondContact O-N 3.3Å; F551-V566 HydrophobicContact CD2-CG1 4.42Å; F551-V566 HydrophobicContact CE2-CG1 3.95Å; F551-H569 HydrophobicContact CB-CB 4Å; F551-H569 HydrophobicContact CD2-CB 3.96Å; F551-H569 HydrophobicContact CG-CB 3.91Å
552	C	80.4	Confident	75.6	Confident	58 Å²	58	85.3 Å²	85.3	39%	0.392	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.1	12.7	-176.1	69.3	0	0	0	0	114.7	R554 H565 H569	C552-R554 PolarHBondContact O-N 3.07Å; C552-H565 PolarHBondContact SG-NE2 3.41Å; C552-H569 VanDerWaalsContact SG-CE1 3.59Å; C552-H569 PolarHBondContact SG-NE2 3.22Å; C552-H569 VanDerWaalsContact SG-NE2 3.41Å
553	S	74.1	Confident	76.3	Confident	101 Å²	101	85.2 Å²	85.2	71%	0.706	44%	0.441	S	S	*	.			trans	57.4	7.1	179.7	-54.5	0	0	0	0	116.3	V548 C549 G555	V548-S553 WeakPolarHBondContact CG1-O 3.43Å; C549-S553 VanDerWaalsContact O-CA 3.25Å; C549-S553 WeakPolarHBondContact O-CA 3.45Å; C549-S553 PolarHBondContact O-N 2.89Å; S553-G555 PolarHBondContact O-N 3.4Å
554	R	77.3	Confident	77.1	Confident	167 Å²	167	83.5 Å²	83.5	63%	0.63	43%	0.428	S	S	*	.			trans	-69.8	123.8	178.6	-168.2	171.5	-177.1	107.9	-3.8	110.4	C549 C552 F556	C549-R554 WeakPolarHBondContact CB-O 3.46Å; C549-R554 PolarHBondContact N-O 2.79Å; C552-R554 PolarHBondContact O-N 3.07Å; R554-F556 HydrophobicContact CB-CE2 3.96Å; R554-F556 HydrophobicContact CB-CZ 4.33Å; R554-F556 HydrophobicContact CG-CE2 3.95Å; R554-F556 HydrophobicContact CG-CZ 3.94Å; R554-F556 VanDerWaalsContact O-CD2 3.27Å; R554-F556 WeakPolarHBondContact O-CD2 3.42Å; R554-F556 VanDerWaalsContact O-CE2 3.24Å; R554-F556 WeakPolarHBondContact O-CE2 3.39Å
555	G	75.8	Confident	78.1	Confident	22 Å²	22	78.2 Å²	78.2	23%	0.227	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.7	179.3	0	0	0	0	0	113.7	S553	S553-G555 PolarHBondContact O-N 3.4Å
556	F	77.3	Confident	78.6	Confident	33 Å²	33	75.7 Å²	75.7	15%	0.145	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153.7	175.2	-62.6	-92.3	0	0	0	112.3	K545 H547 C549 R554 L562 H565	K545-F556 CarbonylContact C-O 3.35Å; K545-F556 VanDerWaalsContact C-O 3.25Å; K545-F556 WeakPolarHBondContact CA-O 3.31Å; H547-F556 HydrophobicContact CB-CB 4.37Å; H547-F556 WeakPolarHBondContact CB-O 3.47Å; H547-F556 PolarHBondContact N-O 3.07Å; H547-F556 VanDerWaalsContact N-O 3.1Å; H547-F556 WeakPolarHBondContact O-CB 3.26Å; H547-F556 PolarHBondContact O-N 2.81Å; C549-F556 HydrophobicContact CB-CE2 4.2Å; R554-F556 HydrophobicContact CB-CE2 3.96Å; R554-F556 HydrophobicContact CB-CZ 4.33Å; R554-F556 HydrophobicContact CG-CE2 3.95Å; R554-F556 HydrophobicContact CG-CZ 3.94Å; R554-F556 VanDerWaalsContact O-CD2 3.27Å; R554-F556 WeakPolarHBondContact O-CD2 3.42Å; R554-F556 VanDerWaalsContact O-CE2 3.24Å; R554-F556 WeakPolarHBondContact O-CE2 3.39Å; F556-L562 HydrophobicContact CB-CB 4.16Å; F556-L562 HydrophobicContact CD2-CB 4.3Å; F556-L562 HydrophobicContact CD2-CD1 3.94Å; F556-L562 HydrophobicContact CE2-CD1 4.4Å; F556-L562 HydrophobicContact CG-CB 4.35Å; F556-H565 HydrophobicContact CE1-CB 3.9Å; F556-H565 HydrophobicContact CE2-CB 3.97Å; F556-H565 AromaticContact CE2-CD2 3.24Å; F556-H565 WeakPolarHBondContact CE2-CD2 3.41Å; F556-H565 AromaticContact CE2-CG 3.62Å; F556-H565 AromaticContact CE2-NE2 3.83Å; F556-H565 HydrophobicContact CZ-CB 3.5Å; F556-H565 VanDerWaalsContact CZ-CB 3.5Å; F556-H565 AromaticContact CZ-CD2 3.35Å; F556-H565 WeakPolarHBondContact CZ-CD2 3.5Å; F556-H565 AromaticContact CZ-CG 3.21Å; F556-H565 AromaticContact CZ-ND1 3.69Å; F556-H565 AromaticContact CZ-NE2 3.85Å
557	R	73.7	Confident	79.1	Confident	67 Å²	67	74.3 Å²	74.3	25%	0.253	38%	0.378	S	S	.	.	S	Bend	trans	-91.4	-8.9	-178.2	-72.2	170.9	158.6	163.4	-17.8	114.1	R539 T540 H541 L542 K545	R539-R557 WeakPolarHBondContact O-CD 3.47Å; R539-R557 PolarHBondContact O-NE 3.2Å; R539-R557 PolarHBondContact O-NH2 2.97Å; T540-R557 VanDerWaalsContact C-CZ 3.48Å; T540-R557 VanDerWaalsContact CA-CZ 3.47Å; T540-R557 PolarHBondContact O-NH1 2.87Å; T540-R557 PolarHBondContact O-NH2 3.18Å; H541-R557 PolarHBondContact O-NH2 3.46Å; L542-R557 VanDerWaalsContact C-NH2 3.31Å; L542-R557 PolarHBondContact O-NE 3.45Å; L542-R557 PolarHBondContact O-NH2 3.19Å; K545-R557 HydrophobicContact CG-CG 4.22Å
558	E	75.9	Confident	79.1	Confident	78 Å²	78	78.6 Å²	78.6	36%	0.364	40%	0.398	S	S	.	.	S	Bend	trans	-143.2	137.3	-179.4	-61.5	-174.4	142.2	0	0	111.3	V536 G560 S561 L562	V536-E558 WeakPolarHBondContact CG1-OE1 3.43Å; E558-G560 PolarHBondContact O-N 3.3Å; E558-S561 PolarHBondContact O-N 3.41Å; E558-S561 VanDerWaalsContact O-N 3.1Å; E558-L562 PolarHBondContact O-N 3.19Å
559	K	79.1	Confident	79	Confident	150 Å²	150	78.2 Å²	78.2	65%	0.652	39%	0.391	S	S	*	.	H	α-helix	trans	-56.9	-36.7	175.9	-175	174.9	179.6	176.7	0	112.4	H547 L562 V563	H547-K559 PolarHBondContact CD2-N 2.92Å; K559-L562 PolarHBondContact O-N 3.47Å; K559-V563 WeakPolarHBondContact O-CG2 3.39Å; K559-V563 PolarHBondContact O-N 2.9Å
560	G	79.7	Confident	78.6	Confident	53 Å²	53	81.2 Å²	81.2	55%	0.546	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-42.3	176	0	0	0	0	0	112.9	E558 V563 R564	E558-G560 PolarHBondContact O-N 3.3Å; G560-V563 PolarHBondContact O-N 3.21Å; G560-R564 VanDerWaalsContact O-CB 3.23Å; G560-R564 WeakPolarHBondContact O-CB 3.45Å; G560-R564 PolarHBondContact O-N 2.98Å
561	S	80.9	Confident	78.6	Confident	27 Å²	27	74.6 Å²	74.6	19%	0.189	39%	0.391	C	S	.	.	H	α-helix	trans	-70.7	-33.4	175.7	-72.8	0	0	0	0	112.7	E558 H565	E558-S561 PolarHBondContact O-N 3.41Å; E558-S561 VanDerWaalsContact O-N 3.1Å; S561-H565 WeakPolarHBondContact O-CB 3.38Å; S561-H565 PolarHBondContact O-N 3.4Å
562	L	83.1	Confident	78.6	Confident	28 Å²	28	73.4 Å²	73.4	15%	0.147	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-52.9	169.4	171.4	60.7	0	0	0	111.6	H547 C549 F556 E558 K559 R564 H565 V566	H547-L562 HydrophobicContact CB-CB 3.99Å; H547-L562 HydrophobicContact CB-CD2 3.8Å; H547-L562 HydrophobicContact CB-CG 4.49Å; C549-L562 HydrophobicContact CB-CD1 3.74Å; F556-L562 HydrophobicContact CB-CB 4.16Å; F556-L562 HydrophobicContact CD2-CB 4.3Å; F556-L562 HydrophobicContact CD2-CD1 3.94Å; F556-L562 HydrophobicContact CE2-CD1 4.4Å; F556-L562 HydrophobicContact CG-CB 4.35Å; E558-L562 PolarHBondContact O-N 3.19Å; K559-L562 PolarHBondContact O-N 3.47Å; L562-R564 VanDerWaalsContact C-N 3.27Å; L562-R564 PolarHBondContact O-N 3.47Å; L562-H565 CarbonylContact O-C 3.54Å; L562-H565 PolarHBondContact O-N 3.03Å; L562-H565 VanDerWaalsContact O-N 3.08Å; L562-V566 HydrophobicContact CD1-CG2 3.84Å; L562-V566 HydrophobicContact CG-CG2 4.3Å; L562-V566 WeakPolarHBondContact O-CG2 3.28Å; L562-V566 PolarHBondContact O-N 3.42Å
563	V	82.2	Confident	78.6	Confident	71 Å²	71	76.8 Å²	76.8	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-58.1	-42.2	-179.7	169	0	0	0	0	111.2	K559 G560 H565 V566 R567	K559-V563 WeakPolarHBondContact O-CG2 3.39Å; K559-V563 PolarHBondContact O-N 2.9Å; G560-V563 PolarHBondContact O-N 3.21Å; V563-H565 VanDerWaalsContact C-N 3.32Å; V563-H565 PolarHBondContact O-N 3.04Å; V563-V566 PolarHBondContact O-N 3.3Å; V563-R567 PolarHBondContact O-N 3.41Å
564	R	80.5	Confident	78.8	Confident	111 Å²	111	75.2 Å²	75.2	42%	0.419	38%	0.383	S	S	.	.	H	α-helix	trans	-61.1	-38.5	176.2	-171.9	165.7	67.7	112.4	-6.6	112.7	G560 L562 E586	G560-R564 VanDerWaalsContact O-CB 3.23Å; G560-R564 WeakPolarHBondContact O-CB 3.45Å; G560-R564 PolarHBondContact O-N 2.98Å; L562-R564 VanDerWaalsContact C-N 3.27Å; L562-R564 PolarHBondContact O-N 3.47Å; R564-E586 WeakPolarHBondContact CD-OE1 3.43Å; R564-E586 HydrophobicContact CG-CG 3.82Å; R564-E586 WeakPolarHBondContact CG-OE1 3.31Å; R564-E586 IonicContact CZ-OE1 2.68Å; R564-E586 IonicContact CZ-OE2 2.77Å; R564-E586 IonicContact NE-OE1 2.71Å; R564-E586 IonicContact NH1-OE1 3.85Å; R564-E586 PolarHBondContact NH1-OE1 3.33Å; R564-E586 IonicContact NH1-OE2 3.66Å; R564-E586 PolarHBondContact NH1-OE2 3.04Å
565	H	82.8	Confident	78.9	Confident	37 Å²	37	70.2 Å²	70.2	17%	0.171	37%	0.366	C	S	.	.	H	α-helix	trans	-74.5	-34.8	173.6	171.5	73	0	0	0	113.5	C549 C552 F556 S561 L562 V563 R567 H568 H569	C549-H565 VanDerWaalsContact SG-CD2 3.54Å; C552-H565 PolarHBondContact SG-NE2 3.41Å; F556-H565 HydrophobicContact CE1-CB 3.9Å; F556-H565 HydrophobicContact CE2-CB 3.97Å; F556-H565 AromaticContact CE2-CD2 3.24Å; F556-H565 WeakPolarHBondContact CE2-CD2 3.41Å; F556-H565 AromaticContact CE2-CG 3.62Å; F556-H565 AromaticContact CE2-NE2 3.83Å; F556-H565 HydrophobicContact CZ-CB 3.5Å; F556-H565 VanDerWaalsContact CZ-CB 3.5Å; F556-H565 AromaticContact CZ-CD2 3.35Å; F556-H565 WeakPolarHBondContact CZ-CD2 3.5Å; F556-H565 AromaticContact CZ-CG 3.21Å; F556-H565 AromaticContact CZ-ND1 3.69Å; F556-H565 AromaticContact CZ-NE2 3.85Å; S561-H565 WeakPolarHBondContact O-CB 3.38Å; S561-H565 PolarHBondContact O-N 3.4Å; L562-H565 CarbonylContact O-C 3.54Å; L562-H565 PolarHBondContact O-N 3.03Å; L562-H565 VanDerWaalsContact O-N 3.08Å; V563-H565 VanDerWaalsContact C-N 3.32Å; V563-H565 PolarHBondContact O-N 3.04Å; H565-R567 PolarHBondContact O-N 3.33Å; H565-H568 VanDerWaalsContact O-CB 3.23Å; H565-H568 WeakPolarHBondContact O-CB 3.25Å; H565-H568 PolarHBondContact O-N 2.85Å; H565-H569 AromaticContact CD2-NE2 3.76Å; H565-H569 AromaticContact CE1-NE2 3.26Å; H565-H569 PolarHBondContact CE1-NE2 2.8Å; H565-H569 VanDerWaalsContact CE1-NE2 3.26Å; H565-H569 AromaticContact NE2-CD2 3.74Å; H565-H569 AromaticContact NE2-NE2 2.97Å; H565-H569 PolarHBondContact NE2-NE2 3.24Å; H565-H569 PolarHBondContact O-CD2 2.81Å
566	V	82	Confident	79.2	Confident	38 Å²	38	76.5 Å²	76.5	23%	0.23	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-35.7	176.7	166.2	0	0	0	0	111.5	F551 L562 V563 H568 H569 T570	F551-V566 HydrophobicContact CD2-CG1 4.42Å; F551-V566 HydrophobicContact CE2-CG1 3.95Å; L562-V566 HydrophobicContact CD1-CG2 3.84Å; L562-V566 HydrophobicContact CG-CG2 4.3Å; L562-V566 WeakPolarHBondContact O-CG2 3.28Å; L562-V566 PolarHBondContact O-N 3.42Å; V563-V566 PolarHBondContact O-N 3.3Å; V566-H568 PolarHBondContact O-N 3.22Å; V566-H568 VanDerWaalsContact O-N 3.14Å; V566-H569 WeakPolarHBondContact O-CA 3.46Å; V566-H569 WeakPolarHBondContact O-CB 3.48Å; V566-H569 PolarHBondContact O-N 3.26Å; V566-T570 HydrophobicContact CG1-CG2 4.19Å; V566-T570 PolarHBondContact O-N 3.27Å
567	R	82.6	Confident	79.5	Confident	63 Å²	63	75 Å²	75	24%	0.238	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-22	173	-68.2	-178.1	-179.3	160.5	0.7	114.8	V563 H565 H569 G571 E572 A585	V563-R567 PolarHBondContact O-N 3.41Å; H565-R567 PolarHBondContact O-N 3.33Å; R567-H569 VanDerWaalsContact C-N 3.34Å; R567-G571 PolarHBondContact O-N 3.15Å; R567-G571 VanDerWaalsContact O-N 3.11Å; R567-E572 HydrophobicContact CB-CB 4.19Å; R567-E572 HydrophobicContact CG-CB 3.99Å; R567-E572 PolarHBondContact O-N 3.16Å; R567-A585 HydrophobicContact CB-CB 4.09Å; R567-A585 PolarHBondContact NH1-O 2.9Å; R567-A585 VanDerWaalsContact NH1-O 3.13Å
568	H	76.3	Confident	79.7	Confident	154 Å²	154	80.5 Å²	80.5	71%	0.713	40%	0.403	S	S	*	.	H	α-helix	trans	-72.4	-31.1	173.4	-170.1	44.4	0	0	0	111.7	H565 V566	H565-H568 VanDerWaalsContact O-CB 3.23Å; H565-H568 WeakPolarHBondContact O-CB 3.25Å; H565-H568 PolarHBondContact O-N 2.85Å; V566-H568 PolarHBondContact O-N 3.22Å; V566-H568 VanDerWaalsContact O-N 3.14Å
569	H	76.8	Confident	79.6	Confident	74 Å²	74	82.9 Å²	82.9	34%	0.343	41%	0.412	S	S	.	.	H	α-helix	trans	-82.3	-36.6	175	-60.8	-79.5	0	0	0	112.7	F551 C552 H565 V566 R567 G571	F551-H569 HydrophobicContact CB-CB 4Å; F551-H569 HydrophobicContact CD2-CB 3.96Å; F551-H569 HydrophobicContact CG-CB 3.91Å; C552-H569 VanDerWaalsContact SG-CE1 3.59Å; C552-H569 PolarHBondContact SG-NE2 3.22Å; C552-H569 VanDerWaalsContact SG-NE2 3.41Å; H565-H569 AromaticContact CD2-NE2 3.76Å; H565-H569 AromaticContact CE1-NE2 3.26Å; H565-H569 PolarHBondContact CE1-NE2 2.8Å; H565-H569 VanDerWaalsContact CE1-NE2 3.26Å; H565-H569 AromaticContact NE2-CD2 3.74Å; H565-H569 AromaticContact NE2-NE2 2.97Å; H565-H569 PolarHBondContact NE2-NE2 3.24Å; H565-H569 PolarHBondContact O-CD2 2.81Å; V566-H569 WeakPolarHBondContact O-CA 3.46Å; V566-H569 WeakPolarHBondContact O-CB 3.48Å; V566-H569 PolarHBondContact O-N 3.26Å; R567-H569 VanDerWaalsContact C-N 3.34Å; H569-G571 VanDerWaalsContact C-N 3.32Å
570	T	77.4	Confident	79.7	Confident	63 Å²	63	78 Å²	78	39%	0.387	40%	0.396	S	S	.	.	H	α-helix	trans	-84.1	-4.2	178.4	63.3	0	0	0	0	113.9	V566 E572	V566-T570 HydrophobicContact CG1-CG2 4.19Å; V566-T570 PolarHBondContact O-N 3.27Å; T570-E572 PolarHBondContact O-N 2.84Å; T570-E572 VanDerWaalsContact O-N 3.08Å; T570-E572 VanDerWaalsContact OG1-CD 3.28Å; T570-E572 WeakPolarHBondContact OG1-CG 3.41Å; T570-E572 PolarHBondContact OG1-OE1 3.42Å
571	G	76.7	Confident	79.5	Confident	48 Å²	48	77.7 Å²	77.7	50%	0.495	39%	0.393	S	S	.	.			trans	66.7	2.6	-175.8	0	0	0	0	0	114.6	R567 H569 K573	R567-G571 PolarHBondContact O-N 3.15Å; R567-G571 VanDerWaalsContact O-N 3.11Å; H569-G571 VanDerWaalsContact C-N 3.32Å; G571-K573 WeakPolarHBondContact O-CG 3.37Å; G571-K573 PolarHBondContact O-N 3.26Å
572	E	76.8	Confident	79.3	Confident	98 Å²	98	84 Å²	84	46%	0.458	41%	0.413	S	S	.	.			trans	-58.1	121.6	-176.7	-84.6	170.9	-123.9	0	0	112	R567 T570 P574	R567-E572 HydrophobicContact CB-CB 4.19Å; R567-E572 HydrophobicContact CG-CB 3.99Å; R567-E572 PolarHBondContact O-N 3.16Å; T570-E572 PolarHBondContact O-N 2.84Å; T570-E572 VanDerWaalsContact O-N 3.08Å; T570-E572 VanDerWaalsContact OG1-CD 3.28Å; T570-E572 WeakPolarHBondContact OG1-CG 3.41Å; T570-E572 PolarHBondContact OG1-OE1 3.42Å; E572-P574 WeakPolarHBondContact O-CD 3.44Å
573	K	79.6	Confident	79.2	Confident	129 Å²	129	83.5 Å²	83.5	56%	0.561	42%	0.415	S	S	*	.			trans	-122.2	73.1	179.7	-74.8	160.2	171.5	174.1	0	110.8	G571 F575 G583 F584	G571-K573 WeakPolarHBondContact O-CG 3.37Å; G571-K573 PolarHBondContact O-N 3.26Å; K573-F575 PolarHBondContact O-N 3.22Å; K573-G583 VanDerWaalsContact CD-O 3.24Å; K573-G583 WeakPolarHBondContact CD-O 3.26Å; K573-G583 WeakPolarHBondContact CE-O 3.34Å; K573-G583 WeakPolarHBondContact CG-O 3.23Å; K573-F584 CarbonylContact C-O 3.56Å; K573-F584 WeakPolarHBondContact CA-O 3.46Å
574	P	79.4	Confident	79.1	Confident	69 Å²	69	81.7 Å²	81.7	45%	0.448	40%	0.401	S	S	.	.			trans	-69.4	-18.6	-173.9	-18.6	33.5	0	0	0	114	E572	E572-P574 WeakPolarHBondContact O-CD 3.44Å
575	F	78.3	Confident	79	Confident	61 Å²	61	77.6 Å²	77.6	27%	0.268	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	95.9	-176.2	-54.3	-76.7	0	0	0	109.1	K573 F584 H587 L590	K573-F575 PolarHBondContact O-N 3.22Å; F575-F584 HydrophobicContact CB-CB 4.49Å; F575-F584 PolarHBondContact N-O 2.62Å; F575-F584 VanDerWaalsContact N-O 3.14Å; F575-F584 WeakPolarHBondContact O-CB 3.32Å; F575-F584 PolarHBondContact O-N 3.09Å; F575-H587 HydrophobicContact CD1-CB 4.14Å; F575-H587 HydrophobicContact CD2-CB 4.48Å; F575-H587 HydrophobicContact CE1-CB 3.99Å; F575-H587 HydrophobicContact CE2-CB 4.33Å; F575-H587 HydrophobicContact CG-CB 4.38Å; F575-H587 HydrophobicContact CZ-CB 4.09Å; F575-L590 HydrophobicContact CB-CB 4.34Å; F575-L590 HydrophobicContact CB-CD2 3.83Å
576	K	81.8	Confident	78.9	Confident	154 Å²	154	78.6 Å²	78.6	67%	0.67	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	142	174.3	-63.2	-171.9	-179.6	-173.7	0	110.6	R582	K576-R582 WeakPolarHBondContact CA-O 3.37Å
577	C	83.6	Confident	78.8	Confident	3 Å²	3	81.9 Å²	81.9	2%	0.02	41%	0.408	C	S	.	.			trans	-69.8	134.5	163.4	-178	0	0	0	0	109.6	K579 G581 R582 F584 L590 H593 L594	C577-K579 PolarHBondContact SG-N 2.97Å; C577-K579 VanDerWaalsContact SG-N 3.4Å; C577-G581 WeakPolarHBondContact O-CA 3.49Å; C577-G581 PolarHBondContact O-N 3.22Å; C577-R582 PolarHBondContact N-O 3.01Å; C577-F584 HydrophobicContact CB-CE2 4.18Å; C577-L590 HydrophobicContact CB-CD1 3.78Å; C577-H593 VanDerWaalsContact CB-NE2 3.26Å; C577-H593 WeakPolarHBondContact CB-NE2 3.44Å; C577-H593 PolarHBondContact SG-NE2 3.27Å; C577-L594 VanDerWaalsContact SG-CD2 3.56Å
578	Y	78.8	Confident	78.7	Confident	182 Å²	182	81.1 Å²	81.1	71%	0.714	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.9	176.9	67.1	-91.4	0	0	0	112.5	L594	Y578-L594 HydrophobicContact CD1-CD2 4.43Å; Y578-L594 HydrophobicContact CE1-CD1 4.49Å; Y578-L594 HydrophobicContact CE1-CD2 3.95Å
579	K	74.3	Confident	78.9	Confident	127 Å²	127	75.6 Å²	75.6	55%	0.552	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-36.1	179.2	-62.9	-157.7	174.3	-163.8	0	113.8	C577	C577-K579 PolarHBondContact SG-N 2.97Å; C577-K579 VanDerWaalsContact SG-N 3.4Å
580	C	79.6	Confident	79.2	Confident	47 Å²	47	72.9 Å²	72.9	32%	0.318	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	13.7	-175.3	76	0	0	0	0	114.6	R582 H593 C600	C580-R582 PolarHBondContact O-N 3.21Å; C580-R582 VanDerWaalsContact SG-CB 3.56Å; C580-H593 PolarHBondContact SG-CE1 2.95Å; C580-H593 PolarHBondContact SG-NE2 2.83Å; C580-C600 HydrophobicContact CB-CB 3.97Å
581	G	75.8	Confident	79.4	Confident	47 Å²	47	72.7 Å²	72.7	49%	0.485	38%	0.381	S	S	.	.			trans	66.3	-16.6	179.6	0	0	0	0	0	116.9	C577 G583	C577-G581 WeakPolarHBondContact O-CA 3.49Å; C577-G581 PolarHBondContact O-N 3.22Å; G581-G583 PolarHBondContact O-N 3.45Å
582	R	77.9	Confident	79.5	Confident	160 Å²	160	78 Å²	78	60%	0.604	39%	0.387	S	S	*	.			trans	-57.2	125.4	-169.4	-162.6	169.8	-167	155.3	6.1	111.2	K576 C577 C580 F584	K576-R582 WeakPolarHBondContact CA-O 3.37Å; C577-R582 PolarHBondContact N-O 3.01Å; C580-R582 PolarHBondContact O-N 3.21Å; C580-R582 VanDerWaalsContact SG-CB 3.56Å; R582-F584 HydrophobicContact CB-CE2 4.03Å; R582-F584 HydrophobicContact CB-CZ 4.25Å; R582-F584 HydrophobicContact CG-CE2 4.23Å; R582-F584 HydrophobicContact CG-CZ 4.05Å; R582-F584 VanDerWaalsContact O-CD2 3.23Å; R582-F584 WeakPolarHBondContact O-CD2 3.42Å; R582-F584 WeakPolarHBondContact O-CE2 3.44Å
583	G	80	Confident	79.8	Confident	18 Å²	18	74.2 Å²	74.2	19%	0.186	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.5	-177.1	0	0	0	0	0	113.5	K573 G581	K573-G583 VanDerWaalsContact CD-O 3.24Å; K573-G583 WeakPolarHBondContact CD-O 3.26Å; K573-G583 WeakPolarHBondContact CE-O 3.34Å; K573-G583 WeakPolarHBondContact CG-O 3.23Å; G581-G583 PolarHBondContact O-N 3.45Å
584	F	79.8	Confident	79.7	Confident	32 Å²	32	71.1 Å²	71.1	14%	0.14	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.8	177.9	-59.8	-88.4	0	0	0	111.8	K573 F575 C577 R582 E586 L590 H593	K573-F584 CarbonylContact C-O 3.56Å; K573-F584 WeakPolarHBondContact CA-O 3.46Å; F575-F584 HydrophobicContact CB-CB 4.49Å; F575-F584 PolarHBondContact N-O 2.62Å; F575-F584 VanDerWaalsContact N-O 3.14Å; F575-F584 WeakPolarHBondContact O-CB 3.32Å; F575-F584 PolarHBondContact O-N 3.09Å; C577-F584 HydrophobicContact CB-CE2 4.18Å; R582-F584 HydrophobicContact CB-CE2 4.03Å; R582-F584 HydrophobicContact CB-CZ 4.25Å; R582-F584 HydrophobicContact CG-CE2 4.23Å; R582-F584 HydrophobicContact CG-CZ 4.05Å; R582-F584 VanDerWaalsContact O-CD2 3.23Å; R582-F584 WeakPolarHBondContact O-CD2 3.42Å; R582-F584 WeakPolarHBondContact O-CE2 3.44Å; F584-E586 VanDerWaalsContact C-N 3.29Å; F584-L590 HydrophobicContact CB-CB 4.25Å; F584-L590 HydrophobicContact CD2-CB 4.01Å; F584-L590 HydrophobicContact CD2-CD1 3.88Å; F584-L590 HydrophobicContact CE2-CD1 4.06Å; F584-L590 HydrophobicContact CG-CB 4.21Å; F584-H593 HydrophobicContact CE1-CB 4.06Å; F584-H593 HydrophobicContact CE2-CB 4.3Å; F584-H593 AromaticContact CE2-CD2 3.38Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.39Å; F584-H593 AromaticContact CE2-CG 3.83Å; F584-H593 AromaticContact CE2-NE2 3.67Å; F584-H593 HydrophobicContact CZ-CB 3.67Å; F584-H593 AromaticContact CZ-CD2 3.42Å; F584-H593 VanDerWaalsContact CZ-CD2 3.42Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.4Å; F584-H593 AromaticContact CZ-CE1 3.91Å; F584-H593 AromaticContact CZ-CG 3.35Å; F584-H593 AromaticContact CZ-ND1 3.68Å; F584-H593 AromaticContact CZ-NE2 3.76Å
585	A	79.4	Confident	79.6	Confident	26 Å²	26	77.6 Å²	77.6	22%	0.215	37%	0.374	C	S	.	.	S	Bend	trans	-74.5	-19.1	174.9	0	0	0	0	0	113.4	R567	R567-A585 HydrophobicContact CB-CB 4.09Å; R567-A585 PolarHBondContact NH1-O 2.9Å; R567-A585 VanDerWaalsContact NH1-O 3.13Å
586	E	80.4	Confident	79.5	Confident	58 Å²	58	78.3 Å²	78.3	27%	0.271	38%	0.383	S	S	.	.			trans	-130.3	138.9	-177	-51.2	-164.9	-175.6	0	0	112.9	R564 F584 G588 T589 L590	R564-E586 WeakPolarHBondContact CD-OE1 3.43Å; R564-E586 HydrophobicContact CG-CG 3.82Å; R564-E586 WeakPolarHBondContact CG-OE1 3.31Å; R564-E586 IonicContact CZ-OE1 2.68Å; R564-E586 IonicContact CZ-OE2 2.77Å; R564-E586 IonicContact NE-OE1 2.71Å; R564-E586 IonicContact NH1-OE1 3.85Å; R564-E586 PolarHBondContact NH1-OE1 3.33Å; R564-E586 IonicContact NH1-OE2 3.66Å; R564-E586 PolarHBondContact NH1-OE2 3.04Å; F584-E586 VanDerWaalsContact C-N 3.29Å; E586-G588 PolarHBondContact O-N 2.87Å; E586-T589 HydrophobicContact CB-CG2 4.43Å; E586-T589 PolarHBondContact O-N 2.84Å; E586-T589 PolarHBondContact O-OG1 3.1Å; E586-L590 PolarHBondContact O-N 3.32Å
587	H	79.8	Confident	78	Confident	107 Å²	107	78.7 Å²	78.7	50%	0.495	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-29.6	171.4	-166.5	-40.6	0	0	0	112.4	F575 N591	F575-H587 HydrophobicContact CD1-CB 4.14Å; F575-H587 HydrophobicContact CD2-CB 4.48Å; F575-H587 HydrophobicContact CE1-CB 3.99Å; F575-H587 HydrophobicContact CE2-CB 4.33Å; F575-H587 HydrophobicContact CG-CB 4.38Å; F575-H587 HydrophobicContact CZ-CB 4.09Å; H587-N591 PolarHBondContact CE1-OD1 3.24Å; H587-N591 PolarHBondContact ND1-OD1 2.86Å; H587-N591 WeakPolarHBondContact O-CB 3.44Å; H587-N591 PolarHBondContact O-N 3.41Å; H587-N591 PolarHBondContact O-OD1 3.06Å
588	G	80.7	Confident	76.9	Confident	46 Å²	46	81 Å²	81	47%	0.474	41%	0.409	S	S	.	.	H	α-helix	trans	-72.2	-29.6	177.9	0	0	0	0	0	113.9	E586 R592	E586-G588 PolarHBondContact O-N 2.87Å; G588-R592 PolarHBondContact O-N 3.21Å
589	T	80.8	Confident	76	Confident	38 Å²	38	73.5 Å²	73.5	23%	0.233	39%	0.388	C	S	.	.	H	α-helix	trans	-81	-36.9	173.9	52.2	0	0	0	0	111.3	E586 R592 H593	E586-T589 HydrophobicContact CB-CG2 4.43Å; E586-T589 PolarHBondContact O-N 2.84Å; E586-T589 PolarHBondContact O-OG1 3.1Å; T589-R592 PolarHBondContact O-N 3.16Å; T589-H593 WeakPolarHBondContact O-CB 3.49Å; T589-H593 PolarHBondContact O-N 2.77Å
590	L	83.1	Confident	75.4	Confident	17 Å²	17	69.5 Å²	69.5	9%	0.089	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-52.6	167.8	173.6	59.4	0	0	0	111.5	F575 C577 F584 E586 R592 H593 L594	F575-L590 HydrophobicContact CB-CB 4.34Å; F575-L590 HydrophobicContact CB-CD2 3.83Å; C577-L590 HydrophobicContact CB-CD1 3.78Å; F584-L590 HydrophobicContact CB-CB 4.25Å; F584-L590 HydrophobicContact CD2-CB 4.01Å; F584-L590 HydrophobicContact CD2-CD1 3.88Å; F584-L590 HydrophobicContact CE2-CD1 4.06Å; F584-L590 HydrophobicContact CG-CB 4.21Å; E586-L590 PolarHBondContact O-N 3.32Å; L590-R592 PolarHBondContact O-N 3.23Å; L590-H593 PolarHBondContact O-N 3.07Å; L590-H593 VanDerWaalsContact O-N 3.16Å; L590-L594 HydrophobicContact CD1-CD1 3.83Å; L590-L594 HydrophobicContact CD1-CD2 4.49Å; L590-L594 HydrophobicContact CD1-CG 3.89Å; L590-L594 HydrophobicContact CG-CD1 3.89Å; L590-L594 HydrophobicContact CG-CG 4.38Å; L590-L594 WeakPolarHBondContact O-CG 3.24Å; L590-L594 PolarHBondContact O-N 2.83Å
591	N	80.4	Confident	74.4	Confident	59 Å²	59	73.7 Å²	73.7	32%	0.316	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-25.3	180	-81.3	41.9	0	0	0	113.7	H587 R595	H587-N591 PolarHBondContact CE1-OD1 3.24Å; H587-N591 PolarHBondContact ND1-OD1 2.86Å; H587-N591 WeakPolarHBondContact O-CB 3.44Å; H587-N591 PolarHBondContact O-N 3.41Å; H587-N591 PolarHBondContact O-OD1 3.06Å; N591-R595 WeakPolarHBondContact O-CD 3.4Å; N591-R595 VanDerWaalsContact O-CG 3.23Å; N591-R595 WeakPolarHBondContact O-CG 3.46Å
592	R	80.4	Confident	73.3	Confident	160 Å²	160	78.7 Å²	78.7	60%	0.604	41%	0.408	S	S	*	.	H	α-helix	trans	-72.6	-49.4	171.1	-177.2	168.7	64.9	-118	7.3	110.6	G588 T589 L590 L594 R595 T596	G588-R592 PolarHBondContact O-N 3.21Å; T589-R592 PolarHBondContact O-N 3.16Å; L590-R592 PolarHBondContact O-N 3.23Å; R592-L594 VanDerWaalsContact C-N 3.31Å; R592-L594 PolarHBondContact O-N 2.89Å; R592-R595 PolarHBondContact O-N 3.27Å; R592-T596 PolarHBondContact O-N 3.38Å; R592-T596 PolarHBondContact O-OG1 3.39Å
593	H	81.1	Confident	71.3	Confident	18 Å²	18	79.6 Å²	79.6	8%	0.083	42%	0.419	C	S	.	.	H	α-helix	trans	-56.9	-41	177	158.2	84.1	0	0	0	112.7	C577 C580 F584 T589 L590 R595 T596 G599 C600	C577-H593 VanDerWaalsContact CB-NE2 3.26Å; C577-H593 WeakPolarHBondContact CB-NE2 3.44Å; C577-H593 PolarHBondContact SG-NE2 3.27Å; C580-H593 PolarHBondContact SG-CE1 2.95Å; C580-H593 PolarHBondContact SG-NE2 2.83Å; F584-H593 HydrophobicContact CE1-CB 4.06Å; F584-H593 HydrophobicContact CE2-CB 4.3Å; F584-H593 AromaticContact CE2-CD2 3.38Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.39Å; F584-H593 AromaticContact CE2-CG 3.83Å; F584-H593 AromaticContact CE2-NE2 3.67Å; F584-H593 HydrophobicContact CZ-CB 3.67Å; F584-H593 AromaticContact CZ-CD2 3.42Å; F584-H593 VanDerWaalsContact CZ-CD2 3.42Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.4Å; F584-H593 AromaticContact CZ-CE1 3.91Å; F584-H593 AromaticContact CZ-CG 3.35Å; F584-H593 AromaticContact CZ-ND1 3.68Å; F584-H593 AromaticContact CZ-NE2 3.76Å; T589-H593 WeakPolarHBondContact O-CB 3.49Å; T589-H593 PolarHBondContact O-N 2.77Å; L590-H593 PolarHBondContact O-N 3.07Å; L590-H593 VanDerWaalsContact O-N 3.16Å; H593-R595 PolarHBondContact O-N 2.93Å; H593-T596 PolarHBondContact O-N 2.76Å; H593-G599 PolarHBondContact CE1-O 3.04Å; H593-G599 PolarHBondContact ND1-O 3.11Å; H593-C600 PolarHBondContact CE1-SG 3.5Å; H593-C600 PolarHBondContact NE2-SG 2.76Å; H593-C600 VanDerWaalsContact NE2-SG 3.42Å
594	L	78.8	Confident	69.5	Low	65 Å²	65	85.7 Å²	85.7	34%	0.34	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.6	174.3	-71.7	171.6	0	0	0	114.3	C577 Y578 L590 R592	C577-L594 VanDerWaalsContact SG-CD2 3.56Å; Y578-L594 HydrophobicContact CD1-CD2 4.43Å; Y578-L594 HydrophobicContact CE1-CD1 4.49Å; Y578-L594 HydrophobicContact CE1-CD2 3.95Å; L590-L594 HydrophobicContact CD1-CD1 3.83Å; L590-L594 HydrophobicContact CD1-CD2 4.49Å; L590-L594 HydrophobicContact CD1-CG 3.89Å; L590-L594 HydrophobicContact CG-CD1 3.89Å; L590-L594 HydrophobicContact CG-CG 4.38Å; L590-L594 WeakPolarHBondContact O-CG 3.24Å; L590-L594 PolarHBondContact O-N 2.83Å; R592-L594 VanDerWaalsContact C-N 3.31Å; R592-L594 PolarHBondContact O-N 2.89Å
595	R	76.8	Confident	67.7	Low	205 Å²	205	92.9 Å²	92.9	77%	0.774	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-18.5	178.1	-71.2	172.2	-177.2	-164.1	-4.1	113.5	N591 R592 H593 K597	N591-R595 WeakPolarHBondContact O-CD 3.4Å; N591-R595 VanDerWaalsContact O-CG 3.23Å; N591-R595 WeakPolarHBondContact O-CG 3.46Å; R592-R595 PolarHBondContact O-N 3.27Å; H593-R595 PolarHBondContact O-N 2.93Å; R595-K597 PolarHBondContact O-N 2.79Å
596	T	76.4	Confident	65.8	Low	76 Å²	76	100.4 Å²	100.4	47%	0.466	52%	0.518	S	S	.	.	S	Bend	trans	-83.9	99.5	177.8	-59.7	0	0	0	0	108.3	R592 H593 G598 G599	R592-T596 PolarHBondContact O-N 3.38Å; R592-T596 PolarHBondContact O-OG1 3.39Å; H593-T596 PolarHBondContact O-N 2.76Å; T596-G598 PolarHBondContact O-N 3.26Å; T596-G599 WeakPolarHBondContact O-CA 3.45Å; T596-G599 PolarHBondContact O-N 3.25Å
597	K	51	Low	63.8	Low	161 Å²	161	105.7 Å²	105.7	70%	0.7	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	134.7	167.6	-63.5	-160.3	-177.6	-160.5	0	108.9	R595 G599 E658	R595-K597 PolarHBondContact O-N 2.79Å; K597-G599 VanDerWaalsContact C-N 3.32Å; K597-G599 PolarHBondContact O-N 2.84Å; K597-E658 WeakPolarHBondContact CE-OE1 3.27Å; K597-E658 WeakPolarHBondContact CE-OE2 3.35Å; K597-E658 IonicContact NZ-OE1 2.86Å; K597-E658 PolarHBondContact NZ-OE1 2.99Å; K597-E658 IonicContact NZ-OE2 3.87Å; K597-E658 PolarHBondContact NZ-OE2 3.49Å
598	G	60.3	Low	61.4	Low	51 Å²	51	108.6 Å²	108.6	53%	0.526	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	84.8	-18.8	-170.3	0	0	0	0	0	115.9	T596 C600 L601	T596-G598 PolarHBondContact O-N 3.26Å; G598-C600 PolarHBondContact O-N 3.41Å; G598-L601 PolarHBondContact O-N 3.19Å; G598-L601 VanDerWaalsContact O-N 3.16Å
599	G	59.4	Low	59.1	Low	26 Å²	26	112.9 Å²	112.9	27%	0.268	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-8.4	-177.3	0	0	0	0	0	115.9	H593 T596 K597	H593-G599 PolarHBondContact CE1-O 3.04Å; H593-G599 PolarHBondContact ND1-O 3.11Å; T596-G599 WeakPolarHBondContact O-CA 3.45Å; T596-G599 PolarHBondContact O-N 3.25Å; K597-G599 VanDerWaalsContact C-N 3.32Å; K597-G599 PolarHBondContact O-N 2.84Å
600	C	62.3	Low	56.6	Low	43 Å²	43	116.4 Å²	116.4	29%	0.291	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.2	-2	179.4	-67.8	0	0	0	0	114.2	C580 H593 G598	C580-C600 HydrophobicContact CB-CB 3.97Å; H593-C600 PolarHBondContact CE1-SG 3.5Å; H593-C600 PolarHBondContact NE2-SG 2.76Å; H593-C600 VanDerWaalsContact NE2-SG 3.42Å; G598-C600 PolarHBondContact O-N 3.41Å
601	L	58.3	Low	54.3	Low	134 Å²	134	123.8 Å²	123.8	70%	0.702	64%	0.642	S	S	*	*			trans	-91.8	147	-177.1	-75.8	169	0	0	0	111.9	G598	G598-L601 PolarHBondContact O-N 3.19Å; G598-L601 VanDerWaalsContact O-N 3.16Å
602	L	52	Low	51.8	Low	152 Å²	152	130.1 Å²	130.1	80%	0.796	67%	0.67	S	S	*	*			trans	66.1	147.8	-180	-43.8	179.4	0	0	0	114.2
603	E	37.4	Very low	49.1	Very low	179 Å²	179	128 Å²	128	84%	0.836	68%	0.679	S	S	*	*			cis	-131.7	130.5	11.9	-60	144.3	145.9	0	0	110.7
604	V	40.2	Very low	47.5	Very low	146 Å²	146	132.9 Å²	132.9	89%	0.885	71%	0.712	S	S	*	*			trans	-148.2	42.9	160.5	-159.6	0	0	0	0	110.3
605	E	42.6	Very low	44.8	Very low	184 Å²	184	134.8 Å²	134.8	86%	0.86	74%	0.737	S	S	*	*			trans	-135.8	75	173.1	-75.1	-164.4	129.6	0	0	111.3
606	E	39.7	Very low	42.3	Very low	184 Å²	184	129.8 Å²	129.8	86%	0.86	74%	0.74	S	S	*	*			trans	-121.1	158.8	147	-73.7	-165.8	127.9	0	0	107.8
607	L	37.8	Very low	39.8	Very low	168 Å²	168	130 Å²	130	88%	0.88	75%	0.75	S	S	*	*	S	Bend	trans	79.1	36.6	-179.1	-48.1	179.4	0	0	0	118
608	L	29.3	Very low	38.5	Very low	169 Å²	169	128.6 Å²	128.6	89%	0.885	75%	0.754	S	S	*	*			trans	-132.9	91.5	156	-70.7	178.3	0	0	0	111
609	V	32.3	Very low	36.8	Very low	135 Å²	135	132.9 Å²	132.9	82%	0.818	77%	0.771	S	S	*	*			trans	-115.7	111.9	172.2	177.2	0	0	0	0	109.9
610	S	28.4	Very low	35.5	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	80%	0.798	S	S	*	*			trans	-171.1	102.3	157.7	-74.8	0	0	0	0	105.8
611	E	35.6	Very low	33.7	Very low	173 Å²	173	144.1 Å²	144.1	81%	0.808	83%	0.826	S	S	*	*				84.2	150.6	82.7	-76	-76.2	95.8	0	0	112.9
612	E	28	Very low	32.3	Very low	192 Å²	192	142 Å²	142	90%	0.897	83%	0.828	S	S	*	*			trans	79.2	135.3	172.1	-49.2	-157.9	140.8	0	0	120.5
613	S	24.3	Very low	31.4	Very low	114 Å²	114	144 Å²	144	80%	0.797	83%	0.833	S	S	*	*			trans	-163.5	-173.2	171	72.4	0	0	0	0	106.6
614	P	47	Very low	30.9	Very low	121 Å²	121	141.9 Å²	141.9	79%	0.786	83%	0.828	S	S	*	*			cis	-126.7	173.8	-24.2	39.2	-26	0	0	0	112
615	A	22.3	Very low	30.7	Very low	105 Å²	105	139.8 Å²	139.8	87%	0.868	82%	0.817	S	S	*	*			trans	-149.3	140.2	163.3	0	0	0	0	0	114.8
616	A	23.8	Very low	30.2	Very low	101 Å²	101	137.1 Å²	137.1	84%	0.835	80%	0.804	S	S	*	*			trans	-41.6	165.4	175.9	0	0	0	0	0	119
617	A	23.6	Very low	29.8	Very low	80 Å²	80	134.1 Å²	134.1	66%	0.661	80%	0.798	S	S	*	*			cis	-175.4	159.1	-19.9	0	0	0	0	0	110.8
618	T	24.8	Very low	29.4	Very low	131 Å²	131	131.6 Å²	131.6	80%	0.804	79%	0.79	S	S	*	*			trans	49	115.4	156.7	47.6	0	0	0	0	119.9
619	T	24.6	Very low	29.2	Very low	142 Å²	142	129.1 Å²	129.1	87%	0.871	78%	0.777	S	S	*	*				-161.5	158.9	101.6	16.2	0	0	0	0	110.5
620	V	31.8	Very low	29	Very low	137 Å²	137	125.6 Å²	125.6	83%	0.83	76%	0.755	S	S	*	*			trans	-134	114.3	176.4	175.1	0	0	0	0	109.1
621	L	24.5	Very low	28.8	Very low	167 Å²	167	126.7 Å²	126.7	87%	0.874	75%	0.748	S	S	*	*			trans	-148.4	111.2	156.5	-70.4	-178.9	0	0	0	104.2
622	A	27.6	Very low	28.3	Very low	91 Å²	91	123.8 Å²	123.8	75%	0.752	73%	0.733	S	S	*	*				98.2	133.8	84.1	0	0	0	0	0	110
623	E	34.1	Very low	28.1	Very low	192 Å²	192	119.1 Å²	119.1	90%	0.897	72%	0.722	S	S	*	*			trans	-87.8	153.2	-161.8	-55.8	165.4	128.6	0	0	113.3
624	D	26.5	Very low	28.5	Very low	136 Å²	136	118.9 Å²	118.9	73%	0.727	72%	0.72	S	S	*	*			trans	-144.6	114.3	143.4	-154.2	-24.8	0	0	0	110.1	H626	D624-H626 IonicContact OD1-ND1 3.25Å; D624-H626 PolarHBondContact OD1-ND1 3.04Å
625	P	37	Very low	27.4	Very low	101 Å²	101	119.5 Å²	119.5	66%	0.656	72%	0.721	S	S	*	*			trans	-102.3	24	-167.3	39.3	-38.2	0	0	0	115.5
626	H	31.3	Very low	27.7	Very low	129 Å²	129	120.9 Å²	120.9	60%	0.597	72%	0.719	S	S	*	*			trans	-106.3	38.5	-166.7	-67.6	92.9	0	0	0	116.4	D624 H686	D624-H626 IonicContact OD1-ND1 3.25Å; D624-H626 PolarHBondContact OD1-ND1 3.04Å; H626-H686 AromaticContact CD2-CE1 3.94Å; H626-H686 AromaticContact CD2-NE2 3.8Å
627	T	31.2	Very low	28.1	Very low	120 Å²	120	120.5 Å²	120.5	74%	0.736	72%	0.716	S	S	*	*			trans	-129.2	121.5	175.9	-11.6	0	0	0	0	111.7
628	V	29.2	Very low	28.6	Very low	116 Å²	116	122.4 Å²	122.4	70%	0.703	71%	0.714	S	S	*	*			trans	-138.3	111	173.2	-178	0	0	0	0	108.8	V630	V628-V630 HydrophobicContact CG1-CG2 4.14Å
629	L	25.7	Very low	28.8	Very low	116 Å²	116	120.4 Å²	120.4	61%	0.607	70%	0.702	S	S	*	*			trans	-89.7	137.3	171.6	-100.7	155.7	0	0	0	110
630	V	26.8	Very low	29.3	Very low	61 Å²	61	121 Å²	121	37%	0.37	70%	0.695	S	S	.	*			trans	-145	116.5	169.7	-169.3	0	0	0	0	108.2	V628 F632 A646	V628-V630 HydrophobicContact CG1-CG2 4.14Å; V630-F632 HydrophobicContact CB-CE2 4.33Å; V630-F632 HydrophobicContact CG1-CD2 4.15Å; V630-F632 HydrophobicContact CG1-CE2 3.46Å; V630-F632 VanDerWaalsContact CG1-CE2 3.46Å; V630-F632 HydrophobicContact CG1-CZ 3.85Å; V630-A646 HydrophobicContact CG1-CB 4.46Å
631	E	24.7	Very low	29.2	Very low	136 Å²	136	119.8 Å²	119.8	64%	0.636	68%	0.681	S	S	*	*			trans	-106.6	139.3	179.1	-171.4	178.3	178	0	0	110.7
632	F	26	Very low	29.5	Very low	111 Å²	111	117.8 Å²	117.8	49%	0.487	66%	0.662	S	S	.	*			trans	-122.7	94.9	177.7	-70.7	-90.8	0	0	0	110.4	V630 I644	V630-F632 HydrophobicContact CB-CE2 4.33Å; V630-F632 HydrophobicContact CG1-CD2 4.15Å; V630-F632 HydrophobicContact CG1-CE2 3.46Å; V630-F632 VanDerWaalsContact CG1-CE2 3.46Å; V630-F632 HydrophobicContact CG1-CZ 3.85Å; F632-I644 HydrophobicContact CE1-CB 4.2Å; F632-I644 HydrophobicContact CE1-CD1 4.28Å; F632-I644 HydrophobicContact CE1-CG1 3.97Å; F632-I644 HydrophobicContact CE1-CG2 3.7Å; F632-I644 HydrophobicContact CZ-CG2 3.95Å
633	S	24.3	Very low	29.6	Very low	94 Å²	94	117.5 Å²	117.5	66%	0.657	65%	0.647	S	S	*	*			trans	-77.2	143.7	173.2	71.7	0	0	0	0	111.4
634	S	31	Very low	29.3	Very low	109 Å²	109	112.1 Å²	112.1	76%	0.762	62%	0.624	S	S	*	*			trans	-120	115.8	-175.9	72.8	0	0	0	0	113
635	V	25.5	Very low	29.3	Very low	135 Å²	135	110.2 Å²	110.2	82%	0.818	61%	0.61	S	S	*	*			trans	-138.8	92.3	167.4	-167.1	0	0	0	0	113.3
636	V	27.5	Very low	28.9	Very low	134 Å²	134	108.9 Å²	108.9	81%	0.812	61%	0.608	S	S	*	*			trans	37.6	109.3	135.3	-171.5	0	0	0	0	120.4
637	A	33.4	Very low	28.8	Very low	93 Å²	93	106.6 Å²	106.6	77%	0.769	60%	0.603	S	S	*	*			trans	93.9	123.1	138.5	0	0	0	0	0	124.1
638	D	32.9	Very low	28.7	Very low	119 Å²	119	105 Å²	105	64%	0.636	60%	0.602	S	S	*	*	S	Bend	trans	80.9	16.3	148.6	-136.4	55.4	0	0	0	120.7	R487	R487-D638 IonicContact CZ-OD2 2.82Å; R487-D638 PolarHBondContact NH1-O 3.26Å; R487-D638 IonicContact NH1-OD2 2.7Å; R487-D638 PolarHBondContact NH1-OD2 3.05Å
639	T	28.5	Very low	28.9	Very low	89 Å²	89	106.6 Å²	106.6	55%	0.546	61%	0.607	S	S	.	*			trans	-124.8	155.1	144.2	54.4	0	0	0	0	111	E641	T639-E641 VanDerWaalsContact C-N 3.27Å; T639-E641 VanDerWaalsContact CB-CD 3.43Å; T639-E641 WeakPolarHBondContact CB-OE1 3.38Å; T639-E641 VanDerWaalsContact CB-OE2 3.22Å; T639-E641 WeakPolarHBondContact CB-OE2 3.37Å; T639-E641 PolarHBondContact O-N 3.47Å; T639-E641 PolarHBondContact OG1-OE2 2.93Å
640	Q	37	Very low	29.2	Very low	156 Å²	156	108.2 Å²	108.2	73%	0.729	62%	0.616	S	S	*	*			trans	-93.9	60.5	172.1	-71.6	-166.6	-90.9	0	0	109.3
641	E	29.8	Very low	30	Very low	111 Å²	111	109.6 Å²	109.6	52%	0.519	63%	0.634	S	S	.	*			trans	-116.9	111	176.8	-77.4	131.8	-144.4	0	0	107.6	T639	T639-E641 VanDerWaalsContact C-N 3.27Å; T639-E641 VanDerWaalsContact CB-CD 3.43Å; T639-E641 WeakPolarHBondContact CB-OE1 3.38Å; T639-E641 VanDerWaalsContact CB-OE2 3.22Å; T639-E641 WeakPolarHBondContact CB-OE2 3.37Å; T639-E641 PolarHBondContact O-N 3.47Å; T639-E641 PolarHBondContact OG1-OE2 2.93Å
642	Y	30.3	Very low	31	Very low	124 Å²	124	112.6 Å²	112.6	49%	0.486	65%	0.648	S	S	.	*			trans	-86.8	114.4	169.9	-67.3	-83.6	0	0	0	107.5	V667	Y642-V667 HydrophobicContact CD2-CG1 4.39Å
643	I	28.4	Very low	31.2	Very low	86 Å²	86	113.4 Å²	113.4	44%	0.441	66%	0.662	S	S	.	*			trans	-90.2	133.7	170.1	-54	-179.1	0	0	0	106.9	E645	I643-E645 HydrophobicContact CG2-CG 3.81Å
644	I	27.9	Very low	31.6	Very low	79 Å²	79	115 Å²	115	41%	0.405	67%	0.673	S	S	.	*			trans	-114.7	112.3	170.8	-55.9	-168.6	0	0	0	105.3	F632	F632-I644 HydrophobicContact CE1-CB 4.2Å; F632-I644 HydrophobicContact CE1-CD1 4.28Å; F632-I644 HydrophobicContact CE1-CG1 3.97Å; F632-I644 HydrophobicContact CE1-CG2 3.7Å; F632-I644 HydrophobicContact CZ-CG2 3.95Å
645	E	28.2	Very low	31.5	Very low	95 Å²	95	118.7 Å²	118.7	44%	0.444	68%	0.679	S	S	.	*			trans	-99	141.9	170.4	-58.1	-169.8	143	0	0	107.3	I643	I643-E645 HydrophobicContact CG2-CG 3.81Å
646	A	28	Very low	31.7	Very low	73 Å²	73	116.2 Å²	116.2	60%	0.603	67%	0.672	S	S	*	*			trans	-142	96.7	-178.4	0	0	0	0	0	107.5	V630	V630-A646 HydrophobicContact CG1-CB 4.46Å
647	T	27.9	Very low	31.9	Very low	82 Å²	82	113.8 Å²	113.8	50%	0.503	66%	0.657	S	S	.	*			trans	-82.4	116.4	175.1	34.7	0	0	0	0	109.3
648	A	29.6	Very low	32	Very low	86 Å²	86	114.5 Å²	114.5	71%	0.711	65%	0.645	S	S	*	*			trans	-101.6	123.1	158.9	0	0	0	0	0	107	D650	A648-D650 VanDerWaalsContact C-N 3.31Å; A648-D650 PolarHBondContact O-N 3.1Å
649	D	34	Very low	32.1	Very low	149 Å²	149	113.5 Å²	113.5	80%	0.797	64%	0.639	S	S	*	*			trans	-74.5	83	177.5	-77.4	-48.7	0	0	0	110.7
650	D	31.4	Very low	32.5	Very low	150 Å²	150	113.7 Å²	113.7	80%	0.802	64%	0.635	S	S	*	*			trans	-127.2	134.4	164.8	-100.6	-46.5	0	0	0	109.5	A648	A648-D650 VanDerWaalsContact C-N 3.31Å; A648-D650 PolarHBondContact O-N 3.1Å
651	A	44.7	Very low	32.4	Very low	91 Å²	91	114.6 Å²	114.6	75%	0.752	64%	0.639	S	S	*	*	S	Bend	trans	-78.1	148.8	-162.8	0	0	0	0	0	114.7
652	E	44.4	Very low	32.9	Very low	198 Å²	198	110.8 Å²	110.8	93%	0.925	63%	0.63	S	S	*	*	S	Bend	trans	61.9	54.2	164.6	-56.9	-166.3	172.7	0	0	117.5
653	T	30.6	Very low	33.4	Very low	129 Å²	129	107.8 Å²	107.8	79%	0.791	63%	0.625	S	S	*	*			trans	-128.6	148.6	155.7	59.5	0	0	0	0	112.8
654	S	33.9	Very low	34.1	Very low	126 Å²	126	108.6 Å²	108.6	88%	0.881	63%	0.627	S	S	*	*			trans	-79.6	126.5	-176.2	-172.6	0	0	0	0	111.9
655	E	28.9	Very low	34.8	Very low	188 Å²	188	109.8 Å²	109.8	88%	0.879	64%	0.638	S	S	*	*			trans	-59.7	142.6	-168.9	-60.8	163.4	173.4	0	0	114.6
656	A	28.7	Very low	35.5	Very low	82 Å²	82	110.9 Å²	110.9	68%	0.678	64%	0.643	S	S	*	*			trans	-145.1	90.2	171.8	0	0	0	0	0	111.8	E658	A656-E658 PolarHBondContact O-N 2.81Å
657	T	32.1	Very low	36.5	Very low	83 Å²	83	108.5 Å²	108.5	51%	0.509	62%	0.621	S	S	.	*			trans	-61.1	132.3	-179.5	48.8	0	0	0	0	113.3
658	E	34	Very low	37.4	Very low	108 Å²	108	107.4 Å²	107.4	51%	0.505	61%	0.612	S	S	.	*			trans	-98.4	83.4	179.5	-67.6	-147.4	160.6	0	0	112.2	K597 A656 I660	K597-E658 WeakPolarHBondContact CE-OE1 3.27Å; K597-E658 WeakPolarHBondContact CE-OE2 3.35Å; K597-E658 IonicContact NZ-OE1 2.86Å; K597-E658 PolarHBondContact NZ-OE1 2.99Å; K597-E658 IonicContact NZ-OE2 3.87Å; K597-E658 PolarHBondContact NZ-OE2 3.49Å; A656-E658 PolarHBondContact O-N 2.81Å; E658-I660 PolarHBondContact O-N 3.4Å
659	I	35.5	Very low	38.3	Very low	99 Å²	99	106 Å²	106	51%	0.508	60%	0.597	S	S	.	*			trans	-73	113.9	173.2	-57	173.4	0	0	0	109.9	E661	I659-E661 PolarHBondContact O-N 3.45Å
660	I	36.6	Very low	39	Very low	93 Å²	93	104.1 Å²	104.1	48%	0.477	58%	0.583	S	S	.	*			trans	-95.9	91.9	-178.2	-54.3	-179.7	0	0	0	111	E658 G662	E658-I660 PolarHBondContact O-N 3.4Å; I660-G662 VanDerWaalsContact C-N 3.3Å; I660-G662 PolarHBondContact O-N 2.79Å
661	E	35.4	Very low	39.9	Very low	174 Å²	174	99.7 Å²	99.7	81%	0.813	56%	0.559	S	S	*	*			trans	-70.5	79	169.3	-75.9	-175.4	-150.8	0	0	112.1	I659	I659-E661 PolarHBondContact O-N 3.45Å
662	G	40.5	Very low	40.2	Very low	31 Å²	31	98.8 Å²	98.8	32%	0.32	54%	0.54	S	S	.	.			trans	-97.9	158.3	169.7	0	0	0	0	0	113.3	I660	I660-G662 VanDerWaalsContact C-N 3.3Å; I660-G662 PolarHBondContact O-N 2.79Å
663	T	41.2	Very low	40.4	Very low	62 Å²	62	95 Å²	95	38%	0.38	52%	0.52	S	S	.	.			trans	-72.4	154.2	159.8	63.2	0	0	0	0	109.9	T665 E666 V667	T663-T665 VanDerWaalsContact C-N 3.27Å; T663-T665 PolarHBondContact O-N 3.07Å; T663-T665 VanDerWaalsContact O-N 3.15Å; T663-T665 PolarHBondContact OG1-OG1 3.32Å; T663-E666 VanDerWaalsContact CB-OE2 3.28Å; T663-E666 WeakPolarHBondContact CB-OE2 3.48Å; T663-E666 WeakPolarHBondContact CG2-OE2 3.35Å; T663-E666 PolarHBondContact N-OE2 3.44Å; T663-E666 WeakPolarHBondContact O-CA 3.4Å; T663-E666 WeakPolarHBondContact O-CB 3.43Å; T663-E666 PolarHBondContact O-N 2.95Å; T663-E666 VanDerWaalsContact OG1-CD 3.25Å; T663-E666 WeakPolarHBondContact OG1-CG 3.45Å; T663-E666 PolarHBondContact OG1-OE2 3.11Å; T663-V667 PolarHBondContact O-N 3.37Å
664	Q	43.4	Very low	41.4	Very low	103 Å²	103	92.3 Å²	92.3	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-50.4	-45.8	-176.7	-170.9	170.2	-4.2	0	0	112.3	E666 V667 D668	Q664-E666 VanDerWaalsContact C-N 3.26Å; Q664-E666 PolarHBondContact O-N 2.99Å; Q664-V667 CarbonylContact O-C 3.25Å; Q664-V667 WeakPolarHBondContact O-CA 3.49Å; Q664-V667 WeakPolarHBondContact O-CB 3.48Å; Q664-V667 PolarHBondContact O-N 3.03Å; Q664-D668 PolarHBondContact O-N 3.09Å; Q664-D668 VanDerWaalsContact O-OD2 3.08Å
665	T	41.7	Very low	42.1	Very low	103 Å²	103	87.7 Å²	87.7	63%	0.632	47%	0.47	S	S	*	.	H	α-helix	trans	-62.7	-24.2	175.5	46.4	0	0	0	0	115.5	T663 D668 S669	T663-T665 VanDerWaalsContact C-N 3.27Å; T663-T665 PolarHBondContact O-N 3.07Å; T663-T665 VanDerWaalsContact O-N 3.15Å; T663-T665 PolarHBondContact OG1-OG1 3.32Å; T665-D668 WeakPolarHBondContact CA-OD2 3.39Å; T665-S669 VanDerWaalsContact O-CB 3.26Å; T665-S669 WeakPolarHBondContact O-CB 3.23Å; T665-S669 PolarHBondContact O-N 3.32Å; T665-S669 VanDerWaalsContact O-N 3.16Å
666	E	43.4	Very low	42.9	Very low	118 Å²	118	84.6 Å²	84.6	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-81.4	-34.9	172.8	-68.3	162	137.1	0	0	110.9	T663 Q664 S669 H670	T663-E666 VanDerWaalsContact CB-OE2 3.28Å; T663-E666 WeakPolarHBondContact CB-OE2 3.48Å; T663-E666 WeakPolarHBondContact CG2-OE2 3.35Å; T663-E666 PolarHBondContact N-OE2 3.44Å; T663-E666 WeakPolarHBondContact O-CA 3.4Å; T663-E666 WeakPolarHBondContact O-CB 3.43Å; T663-E666 PolarHBondContact O-N 2.95Å; T663-E666 VanDerWaalsContact OG1-CD 3.25Å; T663-E666 WeakPolarHBondContact OG1-CG 3.45Å; T663-E666 PolarHBondContact OG1-OE2 3.11Å; Q664-E666 VanDerWaalsContact C-N 3.26Å; Q664-E666 PolarHBondContact O-N 2.99Å; E666-S669 PolarHBondContact O-N 3.37Å; E666-H670 WeakPolarHBondContact O-CB 3.44Å; E666-H670 PolarHBondContact O-N 2.93Å
667	V	49.2	Very low	43.7	Very low	23 Å²	23	86.6 Å²	86.6	14%	0.139	45%	0.451	C	S	.	.	H	α-helix	trans	-67	-49	171.5	178	0	0	0	0	110.4	Y642 T663 Q664 S669 H670 I671	Y642-V667 HydrophobicContact CD2-CG1 4.39Å; T663-V667 PolarHBondContact O-N 3.37Å; Q664-V667 CarbonylContact O-C 3.25Å; Q664-V667 WeakPolarHBondContact O-CA 3.49Å; Q664-V667 WeakPolarHBondContact O-CB 3.48Å; Q664-V667 PolarHBondContact O-N 3.03Å; V667-S669 VanDerWaalsContact C-N 3.27Å; V667-S669 PolarHBondContact O-N 3.07Å; V667-H670 CarbonylContact O-C 3.59Å; V667-H670 WeakPolarHBondContact O-CA 3.35Å; V667-H670 WeakPolarHBondContact O-CB 3.31Å; V667-H670 PolarHBondContact O-N 3.13Å; V667-I671 HydrophobicContact CG1-CD1 3.83Å; V667-I671 HydrophobicContact CG1-CG1 4.33Å; V667-I671 WeakPolarHBondContact O-CG1 3.36Å; V667-I671 PolarHBondContact O-N 2.82Å
668	D	45.8	Very low	44.5	Very low	60 Å²	60	86.9 Å²	86.9	32%	0.321	45%	0.448	S	S	.	.	H	α-helix	trans	-55.7	-42.9	173.5	-51.9	-31.1	0	0	0	110.5	Q664 T665 H670 M672	Q664-D668 PolarHBondContact O-N 3.09Å; Q664-D668 VanDerWaalsContact O-OD2 3.08Å; T665-D668 WeakPolarHBondContact CA-OD2 3.39Å; D668-H670 VanDerWaalsContact C-N 3.27Å; D668-H670 PolarHBondContact O-N 3.01Å; D668-M672 VanDerWaalsContact O-CB 3.28Å; D668-M672 WeakPolarHBondContact O-CB 3.03Å; D668-M672 WeakPolarHBondContact O-CG 3.41Å; D668-M672 PolarHBondContact O-N 2.79Å
669	S	49.9	Very low	45.1	Very low	56 Å²	56	84.3 Å²	84.3	39%	0.392	44%	0.44	S	S	.	.	H	α-helix	trans	-70	-18.8	175.1	-172.4	0	0	0	0	113.9	T665 E666 V667 K673	T665-S669 VanDerWaalsContact O-CB 3.26Å; T665-S669 WeakPolarHBondContact O-CB 3.23Å; T665-S669 PolarHBondContact O-N 3.32Å; T665-S669 VanDerWaalsContact O-N 3.16Å; E666-S669 PolarHBondContact O-N 3.37Å; V667-S669 VanDerWaalsContact C-N 3.27Å; V667-S669 PolarHBondContact O-N 3.07Å; S669-K673 WeakPolarHBondContact O-CD 3.4Å; S669-K673 VanDerWaalsContact O-CG 3.24Å; S669-K673 WeakPolarHBondContact O-CG 3.47Å; S669-K673 PolarHBondContact O-N 3.19Å
670	H	46.8	Very low	45.5	Very low	109 Å²	109	86.7 Å²	86.7	51%	0.505	45%	0.448	S	S	.	.	H	α-helix	trans	-87	-45.8	174.8	-143.5	73.8	0	0	0	110.8	E666 V667 D668 M672 K673 V674	E666-H670 WeakPolarHBondContact O-CB 3.44Å; E666-H670 PolarHBondContact O-N 2.93Å; V667-H670 CarbonylContact O-C 3.59Å; V667-H670 WeakPolarHBondContact O-CA 3.35Å; V667-H670 WeakPolarHBondContact O-CB 3.31Å; V667-H670 PolarHBondContact O-N 3.13Å; D668-H670 VanDerWaalsContact C-N 3.27Å; D668-H670 PolarHBondContact O-N 3.01Å; H670-M672 VanDerWaalsContact C-N 3.33Å; H670-M672 PolarHBondContact O-N 2.62Å; H670-K673 WeakPolarHBondContact O-CA 3.34Å; H670-K673 WeakPolarHBondContact O-CB 3.45Å; H670-K673 PolarHBondContact O-N 2.98Å; H670-V674 WeakPolarHBondContact O-CG2 3.34Å; H670-V674 PolarHBondContact O-N 3.28Å
671	I	51.9	Low	45.7	Very low	57 Å²	57	88.2 Å²	88.2	29%	0.292	45%	0.454	S	S	.	.	H	α-helix	trans	-54.9	-49.2	171	-66.4	169.9	0	0	0	109.8	V667 K673 V674 V675	V667-I671 HydrophobicContact CG1-CD1 3.83Å; V667-I671 HydrophobicContact CG1-CG1 4.33Å; V667-I671 WeakPolarHBondContact O-CG1 3.36Å; V667-I671 PolarHBondContact O-N 2.82Å; I671-K673 PolarHBondContact O-N 3.09Å; I671-V674 PolarHBondContact O-N 3.47Å; I671-V675 HydrophobicContact CG2-CG2 4.24Å; I671-V675 WeakPolarHBondContact O-CB 3.21Å; I671-V675 WeakPolarHBondContact O-CG2 3.29Å; I671-V675 PolarHBondContact O-N 3.33Å
672	M	49.4	Very low	45.9	Very low	73 Å²	73	81.2 Å²	81.2	36%	0.36	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-28.2	177.1	-73.2	-66.8	-65.8	0	0	113.5	D668 H670 Q676 T726	D668-M672 VanDerWaalsContact O-CB 3.28Å; D668-M672 WeakPolarHBondContact O-CB 3.03Å; D668-M672 WeakPolarHBondContact O-CG 3.41Å; D668-M672 PolarHBondContact O-N 2.79Å; H670-M672 VanDerWaalsContact C-N 3.33Å; H670-M672 PolarHBondContact O-N 2.62Å; M672-Q676 VanDerWaalsContact O-CB 3.24Å; M672-Q676 WeakPolarHBondContact O-CB 3.4Å; M672-Q676 WeakPolarHBondContact O-CG 3.36Å; M672-Q676 PolarHBondContact O-N 3.06Å; M672-T726 HydrophobicContact CE-CG2 3.72Å; M672-T726 HydrophobicContact SD-CG2 4.08Å
673	K	50	Low	45.7	Very low	118 Å²	118	84.4 Å²	84.4	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-77	-41.2	173.5	-78.3	171.1	-175.3	170.4	0	112.2	S669 H670 I671 Q676 Q677	S669-K673 WeakPolarHBondContact O-CD 3.4Å; S669-K673 VanDerWaalsContact O-CG 3.24Å; S669-K673 WeakPolarHBondContact O-CG 3.47Å; S669-K673 PolarHBondContact O-N 3.19Å; H670-K673 WeakPolarHBondContact O-CA 3.34Å; H670-K673 WeakPolarHBondContact O-CB 3.45Å; H670-K673 PolarHBondContact O-N 2.98Å; I671-K673 PolarHBondContact O-N 3.09Å; K673-Q676 PolarHBondContact O-N 3.09Å; K673-Q677 VanDerWaalsContact O-CB 3.23Å; K673-Q677 WeakPolarHBondContact O-CB 3.46Å; K673-Q677 PolarHBondContact O-N 3.27Å
674	V	50.3	Low	45.6	Very low	72 Å²	72	85 Å²	85	44%	0.436	45%	0.454	S	S	.	.	H	α-helix	trans	-62.7	-45.3	174.1	172.4	0	0	0	0	109.9	H670 I671 Q677 I678	H670-V674 WeakPolarHBondContact O-CG2 3.34Å; H670-V674 PolarHBondContact O-N 3.28Å; I671-V674 PolarHBondContact O-N 3.47Å; V674-Q677 PolarHBondContact O-N 3.27Å; V674-I678 HydrophobicContact CG1-CD1 3.73Å; V674-I678 HydrophobicContact CG1-CG1 4.44Å; V674-I678 WeakPolarHBondContact O-CB 3.34Å; V674-I678 VanDerWaalsContact O-CG1 3.25Å; V674-I678 WeakPolarHBondContact O-CG1 3.37Å; V674-I678 PolarHBondContact O-N 3.24Å
675	V	49.2	Very low	45.3	Very low	29 Å²	29	83.7 Å²	83.7	18%	0.176	47%	0.468	C	S	.	.	H	α-helix	trans	-61.9	-45.1	173.4	172.3	0	0	0	0	111.5	I671 Q677 I678 V679	I671-V675 HydrophobicContact CG2-CG2 4.24Å; I671-V675 WeakPolarHBondContact O-CB 3.21Å; I671-V675 WeakPolarHBondContact O-CG2 3.29Å; I671-V675 PolarHBondContact O-N 3.33Å; V675-Q677 VanDerWaalsContact C-N 3.31Å; V675-Q677 PolarHBondContact O-N 3.34Å; V675-I678 PolarHBondContact O-N 3.22Å; V675-V679 HydrophobicContact CG1-CG2 4.4Å; V675-V679 WeakPolarHBondContact O-CB 3.45Å; V675-V679 VanDerWaalsContact O-CG2 3.28Å; V675-V679 WeakPolarHBondContact O-CG2 3.35Å; V675-V679 PolarHBondContact O-N 3.02Å
676	Q	46.4	Very low	45	Very low	124 Å²	124	84 Å²	84	58%	0.579	46%	0.463	S	S	*	.	H	α-helix	trans	-63	-35.6	174.8	-80.4	175.4	-16.1	0	0	112.8	M672 K673 H680	M672-Q676 VanDerWaalsContact O-CB 3.24Å; M672-Q676 WeakPolarHBondContact O-CB 3.4Å; M672-Q676 WeakPolarHBondContact O-CG 3.36Å; M672-Q676 PolarHBondContact O-N 3.06Å; K673-Q676 PolarHBondContact O-N 3.09Å; Q676-H680 VanDerWaalsContact O-CB 3.23Å; Q676-H680 WeakPolarHBondContact O-CB 3.45Å; Q676-H680 PolarHBondContact O-N 3.2Å
677	Q	44.8	Very low	44.4	Very low	124 Å²	124	86.9 Å²	86.9	58%	0.579	48%	0.476	S	S	*	.	H	α-helix	trans	-71.3	-42.4	177	-174	169.8	-29.6	0	0	111.4	K673 V674 V675 H680 Q681	K673-Q677 VanDerWaalsContact O-CB 3.23Å; K673-Q677 WeakPolarHBondContact O-CB 3.46Å; K673-Q677 PolarHBondContact O-N 3.27Å; V674-Q677 PolarHBondContact O-N 3.27Å; V675-Q677 VanDerWaalsContact C-N 3.31Å; V675-Q677 PolarHBondContact O-N 3.34Å; Q677-H680 PolarHBondContact O-N 3.06Å; Q677-Q681 WeakPolarHBondContact O-CG 3.42Å; Q677-Q681 PolarHBondContact O-N 2.66Å
678	I	48.6	Very low	43.6	Very low	89 Å²	89	90 Å²	90	46%	0.456	49%	0.491	S	S	.	.	H	α-helix	trans	-61.2	-46	172.4	-70	165.3	0	0	0	110.5	V674 V675 H680 Q681 A682	V674-I678 HydrophobicContact CG1-CD1 3.73Å; V674-I678 HydrophobicContact CG1-CG1 4.44Å; V674-I678 WeakPolarHBondContact O-CB 3.34Å; V674-I678 VanDerWaalsContact O-CG1 3.25Å; V674-I678 WeakPolarHBondContact O-CG1 3.37Å; V674-I678 PolarHBondContact O-N 3.24Å; V675-I678 PolarHBondContact O-N 3.22Å; I678-H680 VanDerWaalsContact C-N 3.35Å; I678-H680 PolarHBondContact O-N 2.82Å; I678-Q681 PolarHBondContact O-N 2.88Å; I678-A682 VanDerWaalsContact O-CB 3.24Å; I678-A682 WeakPolarHBondContact O-CB 3.2Å; I678-A682 PolarHBondContact O-N 2.9Å
679	V	47.5	Very low	42.9	Very low	53 Å²	53	92.5 Å²	92.5	32%	0.321	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-39.2	176.5	169.4	0	0	0	0	111.5	V675 Q681 A682 S683 L727	V675-V679 HydrophobicContact CG1-CG2 4.4Å; V675-V679 WeakPolarHBondContact O-CB 3.45Å; V675-V679 VanDerWaalsContact O-CG2 3.28Å; V675-V679 WeakPolarHBondContact O-CG2 3.35Å; V675-V679 PolarHBondContact O-N 3.02Å; V679-Q681 VanDerWaalsContact C-N 3.31Å; V679-Q681 PolarHBondContact O-N 3.1Å; V679-A682 PolarHBondContact O-N 2.78Å; V679-S683 PolarHBondContact O-N 3.42Å; V679-S683 VanDerWaalsContact O-N 3.16Å; V679-L727 HydrophobicContact CG2-CD2 4.15Å
680	H	43.4	Very low	42	Very low	149 Å²	149	95.3 Å²	95.3	69%	0.69	52%	0.517	S	S	*	.	H	α-helix	trans	-66.8	-31.2	175.3	-167.2	-41.9	0	0	0	112.3	Q676 Q677 I678 S683	Q676-H680 VanDerWaalsContact O-CB 3.23Å; Q676-H680 WeakPolarHBondContact O-CB 3.45Å; Q676-H680 PolarHBondContact O-N 3.2Å; Q677-H680 PolarHBondContact O-N 3.06Å; I678-H680 VanDerWaalsContact C-N 3.35Å; I678-H680 PolarHBondContact O-N 2.82Å; H680-S683 PolarHBondContact O-OG 3.42Å
681	Q	41.5	Very low	41.1	Very low	126 Å²	126	96.6 Å²	96.6	59%	0.589	52%	0.524	S	S	*	.	H	α-helix	trans	-78.6	-41.2	173	-71.4	175.3	-65.8	0	0	112	Q677 I678 V679 S683 A684	Q677-Q681 WeakPolarHBondContact O-CG 3.42Å; Q677-Q681 PolarHBondContact O-N 2.66Å; I678-Q681 PolarHBondContact O-N 2.88Å; V679-Q681 VanDerWaalsContact C-N 3.31Å; V679-Q681 PolarHBondContact O-N 3.1Å; Q681-S683 PolarHBondContact O-N 3.18Å; Q681-S683 VanDerWaalsContact O-N 3.17Å; Q681-A684 WeakPolarHBondContact O-CB 3.33Å; Q681-A684 PolarHBondContact O-N 3.41Å
682	A	39.6	Very low	39.9	Very low	26 Å²	26	100.2 Å²	100.2	22%	0.215	54%	0.543	C	S	.	.	H	α-helix	trans	-65.2	-17.6	179.2	0	0	0	0	0	113.8	I678 V679 A684 G685 I688	I678-A682 VanDerWaalsContact O-CB 3.24Å; I678-A682 WeakPolarHBondContact O-CB 3.2Å; I678-A682 PolarHBondContact O-N 2.9Å; V679-A682 PolarHBondContact O-N 2.78Å; A682-A684 CarbonylContact O-C 3.57Å; A682-A684 PolarHBondContact O-N 2.99Å; A682-G685 PolarHBondContact O-N 3.03Å; A682-G685 VanDerWaalsContact O-N 3.17Å; A682-I688 HydrophobicContact CB-CD1 4.39Å
683	S	36.6	Very low	38.8	Very low	99 Å²	99	101 Å²	101	69%	0.692	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-18.7	168.5	71.8	0	0	0	0	113.5	V679 H680 Q681 G685	V679-S683 PolarHBondContact O-N 3.42Å; V679-S683 VanDerWaalsContact O-N 3.16Å; H680-S683 PolarHBondContact O-OG 3.42Å; Q681-S683 PolarHBondContact O-N 3.18Å; Q681-S683 VanDerWaalsContact O-N 3.17Å; S683-G685 VanDerWaalsContact C-N 3.25Å; S683-G685 PolarHBondContact O-N 2.86Å
684	A	39.2	Very low	37.7	Very low	73 Å²	73	101.6 Å²	101.6	60%	0.603	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	52.8	165.9	0	0	0	0	0	113	Q681 A682 H686	Q681-A684 WeakPolarHBondContact O-CB 3.33Å; Q681-A684 PolarHBondContact O-N 3.41Å; A682-A684 CarbonylContact O-C 3.57Å; A682-A684 PolarHBondContact O-N 2.99Å; A684-H686 PolarHBondContact O-N 2.87Å; A684-H686 PolarHBondContact O-ND1 3Å
685	G	35.5	Very low	36.5	Very low	77 Å²	77	105.9 Å²	105.9	79%	0.794	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.2	20.5	159.3	0	0	0	0	0	118.5	A682 S683	A682-G685 PolarHBondContact O-N 3.03Å; A682-G685 VanDerWaalsContact O-N 3.17Å; S683-G685 VanDerWaalsContact C-N 3.25Å; S683-G685 PolarHBondContact O-N 2.86Å
686	H	35.5	Very low	35.2	Very low	110 Å²	110	112 Å²	112	51%	0.509	62%	0.615	S	S	.	*			trans	-88.1	145.1	178.1	-74.7	63.9	0	0	0	112.2	H626 A684	H626-H686 AromaticContact CD2-CE1 3.94Å; H626-H686 AromaticContact CD2-NE2 3.8Å; A684-H686 PolarHBondContact O-N 2.87Å; A684-H686 PolarHBondContact O-ND1 3Å
687	Q	31.1	Very low	34.4	Very low	178 Å²	178	115.2 Å²	115.2	83%	0.832	63%	0.63	S	S	*	*			trans	-99.4	132.2	-176.8	-160.8	170.1	67.7	0	0	110.7
688	I	32.3	Very low	33.9	Very low	88 Å²	88	118.5 Å²	118.5	45%	0.451	65%	0.645	S	S	.	*			trans	-114.6	129.2	-176	-56.7	175.4	0	0	0	109	A682	A682-I688 HydrophobicContact CB-CD1 4.39Å
689	I	31.8	Very low	32.7	Very low	113 Å²	113	121.4 Å²	121.4	58%	0.579	67%	0.667	S	S	*	*			trans	-127.9	138.9	177.4	-57.1	178.2	0	0	0	107.9
690	V	30.3	Very low	32	Very low	114 Å²	114	123.3 Å²	123.3	69%	0.691	69%	0.689	S	S	*	*			trans	-125.9	133	-180	-177.5	0	0	0	0	108.9
691	Q	28.8	Very low	31.1	Very low	137 Å²	137	124.8 Å²	124.8	64%	0.64	70%	0.701	S	S	*	*			trans	-146	126.6	-179.8	-160.5	169	34.4	0	0	110.3
692	N	26	Very low	30.3	Very low	132 Å²	132	122 Å²	122	71%	0.706	71%	0.707	S	S	*	*			trans	-78.7	136.2	175.3	-85.6	2.6	0	0	0	110.5
693	V	27.3	Very low	30.4	Very low	89 Å²	89	127 Å²	127	54%	0.539	74%	0.737	S	S	.	*			trans	-131.6	125.5	171.7	-174.6	0	0	0	0	109	M695	V693-M695 HydrophobicContact CG1-CE 3.79Å
694	T	25.2	Very low	30	Very low	131 Å²	131	131.7 Å²	131.7	80%	0.804	75%	0.747	S	S	*	*			trans	-97.3	133.5	167.2	48.6	0	0	0	0	109.1
695	M	25.4	Very low	29.4	Very low	163 Å²	163	133.2 Å²	133.2	80%	0.803	76%	0.76	S	S	*	*			trans	-82.3	134.6	-179.7	-62.8	-86.2	86.4	0	0	111.6	V693	V693-M695 HydrophobicContact CG1-CE 3.79Å
696	D	22.7	Very low	29	Very low	156 Å²	156	134.2 Å²	134.2	83%	0.834	76%	0.761	S	S	*	*			trans	-129.7	170.1	162.8	-93.9	-50.8	0	0	0	108.7
697	E	29.2	Very low	28.9	Very low	193 Å²	193	133.8 Å²	133.8	90%	0.902	78%	0.777	S	S	*	*			trans	-70.4	168.5	-155.5	-63.8	-176.9	116.6	0	0	118.1
698	E	34	Very low	28.7	Very low	192 Å²	192	129.1 Å²	129.1	90%	0.897	77%	0.769	S	S	*	*			trans	-53.2	144.3	-166.7	-53.1	178.7	123.4	0	0	117
699	T	24.6	Very low	28.3	Very low	150 Å²	150	132.8 Å²	132.8	92%	0.92	79%	0.789	S	S	*	*			trans	-157.9	138.7	139.1	-1.4	0	0	0	0	111.2
700	A	33.1	Very low	28.1	Very low	94 Å²	94	132.9 Å²	132.9	78%	0.777	80%	0.795	S	S	*	*			trans	-110.2	142.8	-176.5	0	0	0	0	0	112.6
701	L	24.5	Very low	28	Very low	179 Å²	179	133.1 Å²	133.1	94%	0.937	79%	0.791	S	S	*	*			trans	-174.4	131.6	155.5	-109.4	170.9	0	0	0	113.2
702	G	24.4	Very low	27.8	Very low	69 Å²	69	131.8 Å²	131.8	71%	0.711	79%	0.793	S	S	*	*			trans	76.2	122.9	146.9	0	0	0	0	0	119.6
703	P	41.6	Very low	27.8	Very low	130 Å²	130	130.3 Å²	130.3	84%	0.844	78%	0.783	S	S	*	*			trans	-98.1	124.6	173.2	35	-29.3	0	0	0	113.4
704	E	28.4	Very low	27.7	Very low	197 Å²	197	130 Å²	130	92%	0.921	79%	0.79	S	S	*	*			trans	-166.7	172.8	149.7	-126.7	177.7	-147.6	0	0	111.8
705	A	25.4	Very low	28.1	Very low	105 Å²	105	127 Å²	127	87%	0.868	77%	0.772	S	S	*	*			trans	74.4	149.6	-170.9	0	0	0	0	0	115.7
706	A	27	Very low	28.5	Very low	99 Å²	99	123.3 Å²	123.3	82%	0.818	76%	0.76	S	S	*	*			trans	-139.3	162.3	-160.6	0	0	0	0	0	114.3
707	A	34.1	Very low	29.3	Very low	101 Å²	101	124.1 Å²	124.1	84%	0.835	76%	0.759	S	S	*	*			trans	57.5	82.5	159.6	0	0	0	0	0	117.4
708	A	26	Very low	29.9	Very low	80 Å²	80	119.4 Å²	119.4	66%	0.661	75%	0.747	S	S	*	*			trans	-156.1	93.4	155.2	0	0	0	0	0	110.3	T710	A708-T710 PolarHBondContact O-N 2.8Å; A708-T710 VanDerWaalsContact O-N 3.1Å; A708-T710 PolarHBondContact O-OG1 3.08Å
709	D	25.2	Very low	30.2	Very low	165 Å²	165	112.6 Å²	112.6	88%	0.882	72%	0.717	S	S	*	*			trans	-63.1	112.9	-178.5	-57.7	-67.8	0	0	0	111
710	T	26.4	Very low	31.3	Very low	114 Å²	114	107.9 Å²	107.9	70%	0.699	69%	0.688	S	S	*	*			trans	-131.1	114	-169.7	-53.6	0	0	0	0	109.6	A708	A708-T710 PolarHBondContact O-N 2.8Å; A708-T710 VanDerWaalsContact O-N 3.1Å; A708-T710 PolarHBondContact O-OG1 3.08Å
711	I	28.2	Very low	31.9	Very low	120 Å²	120	109.9 Å²	109.9	62%	0.615	68%	0.681	S	S	*	*			trans	-96.6	114.3	-177.4	-56.6	176	0	0	0	109.8	I713	I711-I713 HydrophobicContact CG2-CG1 4.11Å
712	T	25.7	Very low	32.9	Very low	109 Å²	109	107.8 Å²	107.8	67%	0.669	67%	0.667	S	S	*	*			trans	-94.1	130.8	171.4	45.3	0	0	0	0	111.3
713	I	25.8	Very low	33.8	Very low	100 Å²	100	107 Å²	107	51%	0.513	65%	0.648	S	S	.	*			trans	-120.8	115	-179.1	-55.7	179.6	0	0	0	109.8	I711 T715	I711-I713 HydrophobicContact CG2-CG1 4.11Å; I713-T715 HydrophobicContact CG2-CG2 4.03Å
714	A	25.3	Very low	33.9	Very low	82 Å²	82	103.4 Å²	103.4	68%	0.678	63%	0.629	S	S	*	*			trans	-90.4	121.4	170	0	0	0	0	0	110.4
715	T	32	Very low	34.9	Very low	70 Å²	70	100.9 Å²	100.9	43%	0.429	62%	0.619	S	S	.	*			trans	-138.3	149.9	173.7	43.3	0	0	0	0	111.6	I713 T720	I713-T715 HydrophobicContact CG2-CG2 4.03Å; T715-T720 WeakPolarHBondContact OG1-CG2 3.44Å
716	P	34.9	Very low	35.8	Very low	85 Å²	85	98 Å²	98	55%	0.552	59%	0.59	S	S	*	*			trans	-73.8	143.5	178	30.2	-34.5	0	0	0	111.6	S718 L719	P716-S718 PolarHBondContact O-N 2.94Å; P716-L719 HydrophobicContact CG-CD1 4.34Å; P716-L719 PolarHBondContact O-N 3.37Å
717	E	39.9	Very low	36.6	Very low	172 Å²	172	95.9 Å²	95.9	80%	0.804	57%	0.565	S	S	*	*	H	α-helix	trans	-48.1	-33	-168.4	-58.8	170.8	140.7	0	0	115.3	L719 T720	E717-L719 VanDerWaalsContact C-N 3.29Å; E717-L719 PolarHBondContact O-N 3.36Å; E717-T720 VanDerWaalsContact C-OG1 3.31Å; E717-T720 WeakPolarHBondContact CA-OG1 3.42Å; E717-T720 PolarHBondContact O-OG1 2.92Å
718	S	40.3	Very low	37.1	Very low	95 Å²	95	94.6 Å²	94.6	66%	0.664	56%	0.555	S	S	*	*	H	α-helix	trans	-71.9	-15.7	-179.9	-179.2	0	0	0	0	114.7	P716	P716-S718 PolarHBondContact O-N 2.94Å
719	L	41.6	Very low	38.1	Very low	49 Å²	49	95.9 Å²	95.9	26%	0.257	56%	0.558	S	S	.	*	H	α-helix	trans	-97.9	-30.5	175.6	-83.2	166.1	0	0	0	111.9	P716 E717 E721 Q722 V723	P716-L719 HydrophobicContact CG-CD1 4.34Å; P716-L719 PolarHBondContact O-N 3.37Å; E717-L719 VanDerWaalsContact C-N 3.29Å; E717-L719 PolarHBondContact O-N 3.36Å; L719-E721 PolarHBondContact O-N 3.49Å; L719-Q722 PolarHBondContact O-N 3.49Å; L719-V723 WeakPolarHBondContact O-CB 3.29Å; L719-V723 WeakPolarHBondContact O-CG2 3.06Å; L719-V723 PolarHBondContact O-N 3.34Å
720	T	47.4	Very low	38.8	Very low	51 Å²	51	90.6 Å²	90.6	31%	0.313	54%	0.538	S	S	.	.	H	α-helix	trans	-59.7	-42.7	177.5	36.6	0	0	0	0	112.4	T715 E717 Q722 A724	T715-T720 WeakPolarHBondContact OG1-CG2 3.44Å; E717-T720 VanDerWaalsContact C-OG1 3.31Å; E717-T720 WeakPolarHBondContact CA-OG1 3.42Å; E717-T720 PolarHBondContact O-OG1 2.92Å; T720-Q722 PolarHBondContact O-N 2.97Å; T720-A724 WeakPolarHBondContact O-CB 3.45Å; T720-A724 PolarHBondContact O-N 3.24Å
721	E	45.6	Very low	39.6	Very low	136 Å²	136	89.6 Å²	89.6	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-61.1	-46.1	176.7	-66.8	-174.3	135.5	0	0	112.2	L719 A724 M725	L719-E721 PolarHBondContact O-N 3.49Å; E721-A724 PolarHBondContact O-N 3.24Å; E721-M725 WeakPolarHBondContact O-CB 3.29Å; E721-M725 WeakPolarHBondContact O-CG 3.38Å; E721-M725 PolarHBondContact O-N 3.02Å
722	Q	46	Very low	39.8	Very low	135 Å²	135	88.9 Å²	88.9	63%	0.631	53%	0.533	S	S	*	.	H	α-helix	trans	-75	-32.6	-173.3	-160.4	167.4	15	0	0	112.4	L719 T720 T726	L719-Q722 PolarHBondContact O-N 3.49Å; T720-Q722 PolarHBondContact O-N 2.97Å; Q722-T726 WeakPolarHBondContact O-CB 3.48Å; Q722-T726 PolarHBondContact O-N 2.97Å; Q722-T726 PolarHBondContact O-OG1 2.75Å
723	V	42.2	Very low	40.4	Very low	52 Å²	52	93 Å²	93	32%	0.315	55%	0.545	S	S	.	.	H	α-helix	trans	-72.5	-41.2	170.5	174.1	0	0	0	0	110.9	L719 T726 L727	L719-V723 WeakPolarHBondContact O-CB 3.29Å; L719-V723 WeakPolarHBondContact O-CG2 3.06Å; L719-V723 PolarHBondContact O-N 3.34Å; V723-T726 WeakPolarHBondContact O-CB 3.37Å; V723-T726 PolarHBondContact O-N 3.44Å; V723-T726 VanDerWaalsContact O-N 3.16Å; V723-L727 HydrophobicContact CG1-CD1 3.92Å; V723-L727 HydrophobicContact CG1-CG 4.5Å; V723-L727 PolarHBondContact O-N 3.31Å
724	A	45.4	Very low	40.8	Very low	54 Å²	54	92 Å²	92	45%	0.446	56%	0.558	S	S	.	*	H	α-helix	trans	-63.8	-44.5	176.6	0	0	0	0	0	112.4	T720 E721 T726 L727 A728	T720-A724 WeakPolarHBondContact O-CB 3.45Å; T720-A724 PolarHBondContact O-N 3.24Å; E721-A724 PolarHBondContact O-N 3.24Å; A724-T726 PolarHBondContact O-N 2.81Å; A724-L727 PolarHBondContact O-N 2.86Å; A724-A728 VanDerWaalsContact O-CB 3.29Å; A724-A728 WeakPolarHBondContact O-CB 3.29Å; A724-A728 PolarHBondContact O-N 3.04Å
725	M	47.5	Very low	41.2	Very low	145 Å²	145	92.8 Å²	92.8	71%	0.714	56%	0.555	S	S	*	*	H	α-helix	trans	-59.6	-36.2	172.1	-77.3	-169.3	73.6	0	0	112.3	E721 S729	E721-M725 WeakPolarHBondContact O-CB 3.29Å; E721-M725 WeakPolarHBondContact O-CG 3.38Å; E721-M725 PolarHBondContact O-N 3.02Å; M725-S729 VanDerWaalsContact O-CB 3.27Å; M725-S729 WeakPolarHBondContact O-CB 3.47Å; M725-S729 PolarHBondContact O-N 2.96Å; M725-S729 VanDerWaalsContact O-N 3.08Å
726	T	45.7	Very low	41.1	Very low	43 Å²	43	95.6 Å²	95.6	26%	0.264	57%	0.572	S	S	.	*	H	α-helix	trans	-70	-43	178.1	-60.4	0	0	0	0	111.5	M672 Q722 V723 A724 S729 A730	M672-T726 HydrophobicContact CE-CG2 3.72Å; M672-T726 HydrophobicContact SD-CG2 4.08Å; Q722-T726 WeakPolarHBondContact O-CB 3.48Å; Q722-T726 PolarHBondContact O-N 2.97Å; Q722-T726 PolarHBondContact O-OG1 2.75Å; V723-T726 WeakPolarHBondContact O-CB 3.37Å; V723-T726 PolarHBondContact O-N 3.44Å; V723-T726 VanDerWaalsContact O-N 3.16Å; A724-T726 PolarHBondContact O-N 2.81Å; T726-S729 PolarHBondContact O-N 3.09Å; T726-A730 WeakPolarHBondContact O-CB 3.19Å; T726-A730 PolarHBondContact O-N 3.13Å; T726-A730 VanDerWaalsContact O-N 3.11Å
727	L	42.8	Very low	40.8	Very low	56 Å²	56	98.2 Å²	98.2	29%	0.293	58%	0.581	S	S	.	*	H	α-helix	trans	-65.9	-44.9	175.2	-75.5	164.7	0	0	0	111.8	V679 V723 A724 S729 A730 I731	V679-L727 HydrophobicContact CG2-CD2 4.15Å; V723-L727 HydrophobicContact CG1-CD1 3.92Å; V723-L727 HydrophobicContact CG1-CG 4.5Å; V723-L727 PolarHBondContact O-N 3.31Å; A724-L727 PolarHBondContact O-N 2.86Å; L727-S729 PolarHBondContact O-N 2.99Å; L727-A730 PolarHBondContact O-N 3.19Å; L727-I731 WeakPolarHBondContact O-CG1 3.41Å; L727-I731 PolarHBondContact O-N 3.31Å
728	A	44.7	Very low	40.3	Very low	74 Å²	74	94 Å²	94	61%	0.612	58%	0.575	S	S	*	*	H	α-helix	trans	-62.2	-30.9	176.7	0	0	0	0	0	112.9	A724	A724-A728 VanDerWaalsContact O-CB 3.29Å; A724-A728 WeakPolarHBondContact O-CB 3.29Å; A724-A728 PolarHBondContact O-N 3.04Å
729	S	46.8	Very low	39.7	Very low	106 Å²	106	95 Å²	95	74%	0.741	58%	0.577	S	S	*	*	H	α-helix	trans	-78.4	-21.5	173.7	-167.7	0	0	0	0	113.3	M725 T726 L727	M725-S729 VanDerWaalsContact O-CB 3.27Å; M725-S729 WeakPolarHBondContact O-CB 3.47Å; M725-S729 PolarHBondContact O-N 2.96Å; M725-S729 VanDerWaalsContact O-N 3.08Å; T726-S729 PolarHBondContact O-N 3.09Å; L727-S729 PolarHBondContact O-N 2.99Å
730	A	41.2	Very low	39	Very low	55 Å²	55	103.8 Å²	103.8	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-89.1	-23.5	178.7	0	0	0	0	0	113.8	T726 L727 S732	T726-A730 WeakPolarHBondContact O-CB 3.19Å; T726-A730 PolarHBondContact O-N 3.13Å; T726-A730 VanDerWaalsContact O-N 3.11Å; L727-A730 PolarHBondContact O-N 3.19Å; A730-S732 PolarHBondContact O-N 2.77Å
731	I	42.2	Very low	38.2	Very low	92 Å²	92	105.5 Å²	105.5	47%	0.472	63%	0.626	S	S	.	*			trans	-94.4	87.6	-178.3	-60.2	167.7	0	0	0	109.5	L727 E733 T735	L727-I731 WeakPolarHBondContact O-CG1 3.41Å; L727-I731 PolarHBondContact O-N 3.31Å; I731-E733 PolarHBondContact O-N 3.33Å; I731-T735 WeakPolarHBondContact CG2-OG1 3.42Å
732	S	33.1	Very low	37.3	Very low	105 Å²	105	102.8 Å²	102.8	73%	0.734	64%	0.635	S	S	*	*			trans	-75.2	118	168.8	57.5	0	0	0	0	110.8	A730	A730-S732 PolarHBondContact O-N 2.77Å
733	E	37.9	Very low	36.7	Very low	197 Å²	197	101 Å²	101	92%	0.921	64%	0.643	S	S	*	*	S	Bend	trans	47.1	99.9	162.7	-62.1	-177.5	173.1	0	0	117.4	I731	I731-E733 PolarHBondContact O-N 3.33Å
734	G	35.5	Very low	36.5	Very low	77 Å²	77	104.7 Å²	104.7	79%	0.794	67%	0.671	S	S	*	*			trans	131.4	9.1	149.2	0	0	0	0	0	120
735	T	32.2	Very low	35.9	Very low	99 Å²	99	105.1 Å²	105.1	61%	0.607	68%	0.681	S	S	*	*			trans	-100.7	114.4	176.2	54.8	0	0	0	0	112.9	I731	I731-T735 WeakPolarHBondContact CG2-OG1 3.42Å
736	V	30.3	Very low	35.2	Very low	130 Å²	130	105.1 Å²	105.1	79%	0.788	69%	0.689	S	S	*	*			trans	-78.6	120.7	172.4	179.3	0	0	0	0	109.9
737	L	28.6	Very low	34.6	Very low	140 Å²	140	112.1 Å²	112.1	73%	0.733	72%	0.719	S	S	*	*			trans	-84.8	128.1	168.5	-65.8	174.3	0	0	0	109.5
738	A	28.8	Very low	34.1	Very low	82 Å²	82	118 Å²	118	68%	0.678	75%	0.745	S	S	*	*			trans	-120.8	112.2	177.7	0	0	0	0	0	110.2
739	T	28.2	Very low	33.5	Very low	118 Å²	118	117.9 Å²	117.9	72%	0.724	74%	0.744	S	S	*	*			trans	-84.7	140	171	50.4	0	0	0	0	110
740	R	27.7	Very low	32.8	Very low	233 Å²	233	118 Å²	118	88%	0.879	74%	0.741	S	S	*	*			trans	-115.6	102.9	176.6	-174.7	174.6	-178.8	161.5	-0.3	110.6
741	A	29.4	Very low	32.4	Very low	86 Å²	86	121.7 Å²	121.7	71%	0.711	76%	0.757	S	S	*	*			trans	-73.6	134.8	168.9	0	0	0	0	0	111.2
742	G	27.8	Very low	32.1	Very low	79 Å²	79	121.6 Å²	121.6	81%	0.814	76%	0.761	S	S	*	*			trans	-108.1	128	155.8	0	0	0	0	0	107.9
743	A	32.3	Very low	32.1	Very low	97 Å²	97	125.2 Å²	125.2	80%	0.802	77%	0.768	S	S	*	*	S	Bend	cis	-146.6	172.5	-1.9	0	0	0	0	0	110.7
744	S	39	Very low	32	Very low	130 Å²	130	119.6 Å²	119.6	91%	0.909	75%	0.747	S	S	*	*	S	Bend	trans	69.1	81	-177.7	-177.3	0	0	0	0	115.7
745	G	31.9	Very low	31.9	Very low	63 Å²	63	119.3 Å²	119.3	65%	0.649	73%	0.733	S	S	*	*			trans	136.2	117.1	171.3	0	0	0	0	0	111.1
746	T	33.8	Very low	32.4	Very low	145 Å²	145	119.9 Å²	119.9	89%	0.89	74%	0.741	S	S	*	*			trans	-105.2	89.6	176.6	51.1	0	0	0	0	110.1
747	E	33.2	Very low	32.9	Very low	190 Å²	190	122.4 Å²	122.4	89%	0.888	74%	0.744	S	S	*	*			trans	-112.4	123.5	169.5	-68.6	-178.4	161.7	0	0	108.6	A749	E747-A749 PolarHBondContact O-N 3.26Å
748	Q	31.1	Very low	33.4	Very low	180 Å²	180	120.3 Å²	120.3	84%	0.841	73%	0.734	S	S	*	*			trans	-90.3	94.4	-178.5	-72.7	-178	-29.8	0	0	109.5	T750	Q748-T750 PolarHBondContact O-N 2.85Å
749	A	32.2	Very low	34.2	Very low	72 Å²	72	120.2 Å²	120.2	60%	0.595	72%	0.721	S	S	*	*			trans	-65.5	100.1	173.3	0	0	0	0	0	110.3	E747	E747-A749 PolarHBondContact O-N 3.26Å
750	T	32.1	Very low	35.1	Very low	109 Å²	109	121.1 Å²	121.1	67%	0.669	72%	0.717	S	S	*	*			trans	-93.8	108.7	178.1	35.7	0	0	0	0	109.9	Q748 T752	Q748-T750 PolarHBondContact O-N 2.85Å; T750-T752 PolarHBondContact O-N 3.33Å
751	V	33.5	Very low	36	Very low	131 Å²	131	115 Å²	115	79%	0.794	70%	0.701	S	S	*	*			trans	-86	102.4	177.9	-177.4	0	0	0	0	109.6
752	T	36.3	Very low	36.9	Very low	91 Å²	91	115.6 Å²	115.6	56%	0.558	69%	0.691	S	S	*	*			trans	-100.4	121.3	171.9	45.4	0	0	0	0	111	T750	T750-T752 PolarHBondContact O-N 3.33Å
753	M	31.9	Very low	37.4	Very low	181 Å²	181	119 Å²	119	89%	0.892	69%	0.686	S	S	*	*			trans	-84.4	120.5	172.8	-64.4	-67.4	-72.1	0	0	109.6
754	V	37.4	Very low	37.7	Very low	78 Å²	78	121.7 Å²	121.7	47%	0.473	68%	0.682	S	S	.	*			trans	-108.8	141.3	179.4	-176.6	0	0	0	0	109.9	D758 I759	V754-D758 HydrophobicContact CG1-CB 4.23Å; V754-I759 HydrophobicContact CG1-CG1 4.49Å
755	S	33.3	Very low	37.6	Very low	72 Å²	72	121.3 Å²	121.3	50%	0.503	69%	0.686	S	S	.	*			trans	-63.6	141.8	175.9	18.8	0	0	0	0	111.9	E757 D758	S755-E757 PolarHBondContact O-N 2.89Å; S755-D758 VanDerWaalsContact CB-OD2 3.31Å; S755-D758 WeakPolarHBondContact CB-OD2 3.44Å; S755-D758 PolarHBondContact O-N 3.23Å; S755-D758 PolarHBondContact OG-OD2 3.05Å
756	S	41.1	Very low	38.3	Very low	110 Å²	110	121.7 Å²	121.7	77%	0.769	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-3.5	-179.8	55.8	0	0	0	0	115
757	E	41.9	Very low	38.3	Very low	184 Å²	184	122.1 Å²	122.1	86%	0.86	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-13.7	178.9	-57.4	-169.3	175.7	0	0	112.4	S755	S755-E757 PolarHBondContact O-N 2.89Å
758	D	38.1	Very low	38.6	Very low	96 Å²	96	118.9 Å²	118.9	51%	0.513	67%	0.671	S	S	.	*	S	Bend	trans	-108.7	11.4	-172.2	-53.5	-79	0	0	0	113.9	V754 S755	V754-D758 HydrophobicContact CG1-CB 4.23Å; S755-D758 VanDerWaalsContact CB-OD2 3.31Å; S755-D758 WeakPolarHBondContact CB-OD2 3.44Å; S755-D758 PolarHBondContact O-N 3.23Å; S755-D758 PolarHBondContact OG-OD2 3.05Å
759	I	46.8	Very low	39.1	Very low	79 Å²	79	113.9 Å²	113.9	41%	0.405	65%	0.652	S	S	.	*			trans	-106.2	99	-171.6	-54.5	-179.6	0	0	0	110.7	V754 I761 I770	V754-I759 HydrophobicContact CG1-CG1 4.49Å; I759-I761 HydrophobicContact CG2-CG1 4.2Å; I759-I770 HydrophobicContact CG2-CG2 3.86Å
760	E	46.3	Very low	39.8	Very low	137 Å²	137	113.4 Å²	113.4	64%	0.64	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.8	129.5	166.4	-67	-165.2	167.9	0	0	111	S771	E760-S771 PolarHBondContact O-N 3.26Å
761	I	47.8	Very low	40.4	Very low	106 Å²	106	110.8 Å²	110.8	54%	0.544	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.6	121.7	178.5	-56.1	177.7	0	0	0	108.3	I759 L768 I770	I759-I761 HydrophobicContact CG2-CG1 4.2Å; I761-L768 HydrophobicContact CG2-CD2 3.76Å; I761-I770 HydrophobicContact CG1-CG1 4.49Å
762	L	47.2	Very low	41	Very low	97 Å²	97	106.2 Å²	106.2	51%	0.508	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.4	124.5	-178.7	-70.9	167.5	0	0	0	110.9	H764 V769	L762-H764 PolarHBondContact O-N 3.4Å; L762-V769 PolarHBondContact N-O 3.24Å; L762-V769 PolarHBondContact O-N 2.98Å
763	E	37.6	Very low	41.2	Very low	152 Å²	152	107.9 Å²	107.9	71%	0.71	61%	0.612	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.8	118.3	169	-75.1	-171	136.5	0	0	110.3	L768	E763-L768 HydrophobicContact CG-CD2 3.72Å
764	H	38.7	Very low	41.6	Very low	152 Å²	152	108.3 Å²	108.3	70%	0.704	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.6	130.7	166.9	-99.2	7.6	0	0	0	110.5	L762 G766 E767	L762-H764 PolarHBondContact O-N 3.4Å; H764-G766 PolarHBondContact O-N 2.96Å; H764-E767 PolarHBondContact N-O 2.83Å; H764-E767 PolarHBondContact O-N 3.13Å; H764-E767 VanDerWaalsContact O-N 3.08Å
765	A	36.9	Very low	42	Very low	122 Å²	122	106.5 Å²	106.5	100%	1.008	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.8	6.6	-179.9	0	0	0	0	0	117.5
766	G	47.1	Very low	42.1	Very low	72 Å²	72	113 Å²	113	74%	0.742	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.8	3	-178.9	0	0	0	0	0	114.6	H764	H764-G766 PolarHBondContact O-N 2.96Å
767	E	34.8	Very low	42.2	Very low	154 Å²	154	112.1 Å²	112.1	72%	0.72	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.6	144.6	170.5	-67	-179.5	149.7	0	0	110.1	H764 V769	H764-E767 PolarHBondContact N-O 2.83Å; H764-E767 PolarHBondContact O-N 3.13Å; H764-E767 VanDerWaalsContact O-N 3.08Å; E767-V769 PolarHBondContact O-N 2.95Å
768	L	37.6	Very low	42.1	Very low	121 Å²	121	112.3 Å²	112.3	63%	0.634	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.3	104.6	180	-74.8	161.5	0	0	0	108.9	I761 E763	I761-L768 HydrophobicContact CG2-CD2 3.76Å; E763-L768 HydrophobicContact CG-CD2 3.72Å
769	V	43.6	Very low	42.2	Very low	76 Å²	76	111.3 Å²	111.3	46%	0.461	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.5	123.3	178.4	-175.9	0	0	0	0	109.2	L762 E767	L762-V769 PolarHBondContact N-O 3.24Å; L762-V769 PolarHBondContact O-N 2.98Å; E767-V769 PolarHBondContact O-N 2.95Å
770	I	45.4	Very low	41.7	Very low	61 Å²	61	116.3 Å²	116.3	31%	0.313	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.8	122.3	170.9	-62.2	170.1	0	0	0	107.3	I759 I761 V779 V782	I759-I770 HydrophobicContact CG2-CG2 3.86Å; I761-I770 HydrophobicContact CG1-CG1 4.49Å; I770-V779 HydrophobicContact CB-CG2 4.49Å; I770-V779 HydrophobicContact CD1-CG1 4.29Å; I770-V779 HydrophobicContact CD1-CG2 4.49Å; I770-V782 HydrophobicContact CD1-CG2 3.99Å
771	S	45.1	Very low	41.1	Very low	54 Å²	54	115 Å²	115	38%	0.378	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.2	112.3	-178.1	55.2	0	0	0	0	112.2	E760	E760-S771 PolarHBondContact O-N 3.26Å
772	S	45.5	Very low	40.4	Very low	35 Å²	35	114.4 Å²	114.4	25%	0.245	64%	0.64	C	S	.	*	B	Isolated β-bridge	trans	-84.3	144.3	165.3	171	0	0	0	0	110.3	E774	S772-E774 PolarHBondContact O-N 3.24Å; S772-E774 PolarHBondContact OG-N 2.86Å
773	P	41.1	Very low	39.6	Very low	127 Å²	127	117.1 Å²	117.1	83%	0.825	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-13.1	174.8	28	-35.9	0	0	0	114.2
774	E	40.8	Very low	39.2	Very low	189 Å²	189	119.4 Å²	119.4	88%	0.883	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-9.4	-176.3	-58.8	-160.8	135.2	0	0	114.7	S772	S772-E774 PolarHBondContact O-N 3.24Å; S772-E774 PolarHBondContact OG-N 2.86Å
775	G	45.8	Very low	39.2	Very low	41 Å²	41	117.8 Å²	117.8	42%	0.423	68%	0.676	S	S	.	*	B	Isolated β-bridge	trans	141.5	-177.3	174.1	0	0	0	0	0	114.6	L777	G775-L777 PolarHBondContact O-N 3.37Å
776	Q	35.3	Very low	39.4	Very low	209 Å²	209	117.5 Å²	117.5	98%	0.977	66%	0.658	S	S	*	*			trans	-71.3	117.1	174.8	-69.9	-174.6	-79.7	0	0	110.6
777	L	43.1	Very low	38.9	Very low	91 Å²	91	120.1 Å²	120.1	48%	0.476	65%	0.653	S	S	.	*			trans	-110.3	127.7	170	-68.6	166.9	0	0	0	108.1	G775 V779	G775-L777 PolarHBondContact O-N 3.37Å; L777-V779 PolarHBondContact O-N 3.32Å
778	E	39	Very low	39.2	Very low	188 Å²	188	118.1 Å²	118.1	88%	0.879	65%	0.649	S	S	*	*			trans	-78.9	103.5	169.5	-74.8	-165.1	132.2	0	0	110	Q780	E778-Q780 PolarHBondContact O-N 2.94Å; E778-Q780 VanDerWaalsContact O-N 3.12Å
779	V	41.5	Very low	39.3	Very low	74 Å²	74	117.9 Å²	117.9	45%	0.448	65%	0.65	S	S	.	*			trans	-81.9	90.4	179.5	-174.1	0	0	0	0	109.6	I770 L777 V782	I770-V779 HydrophobicContact CB-CG2 4.49Å; I770-V779 HydrophobicContact CD1-CG1 4.29Å; I770-V779 HydrophobicContact CD1-CG2 4.49Å; L777-V779 PolarHBondContact O-N 3.32Å; V779-V782 HydrophobicContact CG1-CG2 3.57Å
780	Q	36.4	Very low	39	Very low	184 Å²	184	120.7 Å²	120.7	86%	0.86	66%	0.663	S	S	*	*			trans	-76.6	-21.1	-171.9	-161.8	158.7	71.2	0	0	114.5	E778	E778-Q780 PolarHBondContact O-N 2.94Å; E778-Q780 VanDerWaalsContact O-N 3.12Å
781	T	33.1	Very low	38.5	Very low	111 Å²	111	124.9 Å²	124.9	68%	0.681	69%	0.688	S	S	*	*			trans	-145.9	135.4	172.7	-51.5	0	0	0	0	110.5	I783	T781-I783 HydrophobicContact CG2-CG1 4.15Å
782	V	33.3	Very low	38	Very low	93 Å²	93	130.4 Å²	130.4	56%	0.564	71%	0.712	S	S	*	*			trans	-117.1	130.3	168.4	-177.1	0	0	0	0	108.7	I770 V779 V784	I770-V782 HydrophobicContact CD1-CG2 3.99Å; V779-V782 HydrophobicContact CG1-CG2 3.57Å; V782-V784 HydrophobicContact CG1-CG2 3.93Å
783	I	29.7	Very low	37.4	Very low	153 Å²	153	138.3 Å²	138.3	79%	0.785	75%	0.751	S	S	*	*			trans	-115.2	133.7	175.7	-54.7	177.4	0	0	0	107.6	T781	T781-I783 HydrophobicContact CG2-CG1 4.15Å
784	V	29.7	Very low	37.1	Very low	200 Å²	200	139.4 Å²	139.4	100%	1.212	74%	0.744	S	S	*	*			trans	-132.7	0	-172.1	-172.5	0	0	0	0	110.7	V782	V782-V784 HydrophobicContact CG1-CG2 3.93Å

Retrieved 784 of 784 residues in 237 ms (Link to these results)

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