A0A061IEV5_CRIGR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A061IEV5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Znf483, Length 722 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	32.5	Very low	229 Å²	229	145.9 Å²	145.9	100%	1.128	81%	0.811	S	S	*	*				0	100.4	0	-62	162.4	-177.7	0	0	105.4
2	Q	32.8	Very low	32.2	Very low	193 Å²	193	140.6 Å²	140.6	90%	0.902	80%	0.8	S	S	*	*				65.9	134.7	69.7	-71.4	178.7	-33.6	0	0	112.8
3	A	31.5	Very low	32	Very low	79 Å²	79	140.2 Å²	140.2	65%	0.653	80%	0.802	S	S	*	*			cis	-166.8	147.2	-14.2	0	0	0	0	0	112.4
4	L	31.2	Very low	31.8	Very low	172 Å²	172	136.4 Å²	136.4	90%	0.901	79%	0.788	S	S	*	*			trans	60.7	155.5	140.9	-67.2	168.8	0	0	0	123.1
5	V	35.5	Very low	32.1	Very low	123 Å²	123	135.2 Å²	135.2	75%	0.745	79%	0.787	S	S	*	*			trans	-114.4	136.8	168.8	174	0	0	0	0	108.2
6	P	42.4	Very low	31.9	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	79%	0.786	S	S	*	*				-132.1	153.8	126.5	11.2	10.9	0	0	0	111
7	S	28.3	Very low	33.1	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	78%	0.782	S	S	*	*			cis	84.8	101.3	33.3	-60.6	0	0	0	0	115.6
8	N	27.6	Very low	33.1	Very low	144 Å²	144	134.2 Å²	134.2	77%	0.77	79%	0.787	S	S	*	*			trans	51.5	144.6	148.4	-59.9	-8.2	0	0	0	121.6
9	M	29.9	Very low	32.8	Very low	149 Å²	149	131.8 Å²	131.8	73%	0.734	78%	0.784	S	S	*	*				175.8	119.1	109	-91.4	-60.6	171.5	0	0	113.7
10	M	30.8	Very low	32.4	Very low	169 Å²	169	134.2 Å²	134.2	83%	0.833	79%	0.788	S	S	*	*			trans	58	159.4	146.5	-62.4	-175.8	177.8	0	0	119.7
11	T	28.8	Very low	32.2	Very low	136 Å²	136	132.3 Å²	132.3	83%	0.834	79%	0.789	S	S	*	*			cis	-111.9	-162.7	7.3	51.6	0	0	0	0	110.5
12	A	28.6	Very low	31.6	Very low	82 Å²	82	126.3 Å²	126.3	68%	0.678	77%	0.769	S	S	*	*			cis	-154.2	174.8	7.4	0	0	0	0	0	114.4
13	T	30	Very low	31.4	Very low	136 Å²	136	122.7 Å²	122.7	83%	0.834	77%	0.765	S	S	*	*			trans	3.8	132.8	156.5	-33.6	0	0	0	0	121.9
14	S	28.1	Very low	31.4	Very low	86 Å²	86	126 Å²	126	60%	0.601	77%	0.767	S	S	*	*			trans	-105.3	152.2	159.9	167.2	0	0	0	0	110.2
15	P	37.5	Very low	31.3	Very low	119 Å²	119	125.1 Å²	125.1	77%	0.773	76%	0.758	S	S	*	*				-140	149.1	109.6	37.6	-25.6	0	0	0	115.1
16	D	28.6	Very low	30.9	Very low	143 Å²	143	124.6 Å²	124.6	77%	0.765	76%	0.76	S	S	*	*			trans	-86.4	-168.3	166.9	-54.5	-72.4	0	0	0	111.2
17	P	51.5	Low	30.4	Very low	112 Å²	112	130.3 Å²	130.3	73%	0.727	77%	0.767	S	S	*	*				-127.3	-172.8	-105.8	37.8	-17.6	0	0	0	114
18	P	32.9	Very low	30.4	Very low	133 Å²	133	131.3 Å²	131.3	86%	0.864	77%	0.769	S	S	*	*			trans	-131.7	178.6	133.8	35.6	-24.1	0	0	0	113
19	A	27.5	Very low	30.4	Very low	88 Å²	88	132.1 Å²	132.1	73%	0.727	77%	0.772	S	S	*	*			trans	-134.2	176	-165.7	0	0	0	0	0	114.1
20	M	25.9	Very low	30.3	Very low	179 Å²	179	136.9 Å²	136.9	88%	0.882	78%	0.782	S	S	*	*			trans	82.2	128.4	165	-55	-68.6	-100.1	0	0	118.8
21	A	26.9	Very low	30.7	Very low	96 Å²	96	134.6 Å²	134.6	79%	0.793	78%	0.777	S	S	*	*			trans	64.6	155.3	147.3	0	0	0	0	0	119.4
22	S	26.5	Very low	31	Very low	103 Å²	103	132 Å²	132	72%	0.72	76%	0.758	S	S	*	*			cis	-173	137	-25.1	52.4	0	0	0	0	110
23	S	30.3	Very low	31.4	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	75%	0.753	S	S	*	*			trans	64.4	156.2	166.8	-130.4	0	0	0	0	114.6
24	E	30	Very low	31.8	Very low	148 Å²	148	129 Å²	129	69%	0.692	73%	0.734	S	S	*	*			cis	-152.9	170	27.5	-96.7	-158.5	89	0	0	113
25	Q	29.1	Very low	32.1	Very low	154 Å²	154	131.9 Å²	131.9	72%	0.72	73%	0.732	S	S	*	*			trans	58	112.4	148.7	-68.7	173.9	44.4	0	0	122.6
26	S	28.2	Very low	32.3	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	72%	0.721	S	S	*	*				0.2	142.8	129.3	-55.9	0	0	0	0	117.4
27	R	30.5	Very low	32.7	Very low	236 Å²	236	129.5 Å²	129.5	89%	0.891	71%	0.711	S	S	*	*			cis	-178.8	171.4	47.1	-132	170.2	-168	170	2.1	106
28	V	30.1	Very low	32.1	Very low	117 Å²	117	129.1 Å²	129.1	71%	0.709	70%	0.7	S	S	*	*			cis	-144.9	138.8	12.6	-176.6	0	0	0	0	106.3
29	L	27.8	Very low	32.1	Very low	161 Å²	161	131.5 Å²	131.5	84%	0.843	69%	0.692	S	S	*	*				-168.2	117.5	96.3	-89.7	165.2	0	0	0	109.8
30	R	27.8	Very low	32.6	Very low	249 Å²	249	132 Å²	132	94%	0.94	68%	0.682	S	S	*	*			trans	-94.8	98.5	165.6	-72.9	-172.4	-179.6	-174.2	0.2	109
31	V	37.8	Very low	33.4	Very low	121 Å²	121	128.9 Å²	128.9	73%	0.733	67%	0.668	S	S	*	*			trans	-66.7	130.3	150.6	177.3	0	0	0	0	106.2	T33	V31-T33 VanDerWaalsContact C-N 3.34Å; V31-T33 PolarHBondContact O-N 2.66Å
32	D	35.2	Very low	34	Very low	80 Å²	80	132.2 Å²	132.2	43%	0.428	66%	0.66	S	S	.	*			trans	-76	84.8	-173.1	-177.1	19	0	0	0	111.6	S34 R35	D32-S34 PolarHBondContact O-N 3.13Å; D32-S34 WeakPolarHBondContact OD1-CB 3.43Å; D32-S34 PolarHBondContact OD1-N 3.15Å; D32-S34 PolarHBondContact OD1-OG 3.27Å; D32-R35 VanDerWaalsContact OD2-CD 3.31Å; D32-R35 WeakPolarHBondContact OD2-CD 3.42Å; D32-R35 WeakPolarHBondContact OD2-CG 3.41Å
33	T	36.6	Very low	34.7	Very low	94 Å²	94	129.3 Å²	129.3	58%	0.577	65%	0.646	S	S	*	*	H	α-helix	trans	-62.6	-24.6	176	51.3	0	0	0	0	112.4	V31 V36 Q37	V31-T33 VanDerWaalsContact C-N 3.34Å; V31-T33 PolarHBondContact O-N 2.66Å; T33-V36 PolarHBondContact O-N 2.98Å; T33-Q37 WeakPolarHBondContact O-CB 3.47Å; T33-Q37 PolarHBondContact O-N 3.03Å
34	S	38.7	Very low	35.5	Very low	61 Å²	61	131 Å²	131	43%	0.427	64%	0.636	S	S	.	*	H	α-helix	trans	-61.2	-51.6	-176.1	74.9	0	0	0	0	111.7	D32 V36 Q37 E38	D32-S34 PolarHBondContact O-N 3.13Å; D32-S34 WeakPolarHBondContact OD1-CB 3.43Å; D32-S34 PolarHBondContact OD1-N 3.15Å; D32-S34 PolarHBondContact OD1-OG 3.27Å; S34-V36 VanDerWaalsContact C-N 3.28Å; S34-V36 PolarHBondContact O-N 3.23Å; S34-Q37 PolarHBondContact O-N 3.42Å; S34-E38 WeakPolarHBondContact O-CB 3.36Å; S34-E38 PolarHBondContact O-N 3.42Å
35	R	35.7	Very low	36.5	Very low	148 Å²	148	126.7 Å²	126.7	56%	0.558	63%	0.625	S	S	*	*	H	α-helix	trans	-66.3	-24.9	179.1	-76.6	178.8	64.7	-169	1.5	114.4	D32 R39	D32-R35 VanDerWaalsContact OD2-CD 3.31Å; D32-R35 WeakPolarHBondContact OD2-CD 3.42Å; D32-R35 WeakPolarHBondContact OD2-CG 3.41Å; R35-R39 WeakPolarHBondContact O-CB 3.37Å; R35-R39 WeakPolarHBondContact O-CD 3.33Å; R35-R39 VanDerWaalsContact O-CG 3.22Å; R35-R39 WeakPolarHBondContact O-CG 3.38Å; R35-R39 PolarHBondContact O-N 3.22Å
36	V	41.8	Very low	37.5	Very low	90 Å²	90	124.7 Å²	124.7	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-77.9	-43.3	174	-179.3	0	0	0	0	109.9	T33 S34 R39 L40	T33-V36 PolarHBondContact O-N 2.98Å; S34-V36 VanDerWaalsContact C-N 3.28Å; S34-V36 PolarHBondContact O-N 3.23Å; V36-R39 PolarHBondContact O-N 3.1Å; V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 WeakPolarHBondContact O-CG 3.39Å; V36-L40 PolarHBondContact O-N 2.68Å
37	Q	36.7	Very low	38.8	Very low	121 Å²	121	123.5 Å²	123.5	57%	0.565	60%	0.604	S	S	*	*	H	α-helix	trans	-72.5	-36.3	-177.9	-161.2	159.6	-14.7	0	0	111.9	T33 S34 L40 L41	T33-Q37 WeakPolarHBondContact O-CB 3.47Å; T33-Q37 PolarHBondContact O-N 3.03Å; S34-Q37 PolarHBondContact O-N 3.42Å; Q37-L40 PolarHBondContact O-N 3.34Å; Q37-L41 HydrophobicContact CG-CD1 4.43Å; Q37-L41 WeakPolarHBondContact O-CB 3.39Å; Q37-L41 VanDerWaalsContact O-CG 3.25Å; Q37-L41 WeakPolarHBondContact O-CG 3.36Å; Q37-L41 PolarHBondContact O-N 2.84Å
38	E	37.3	Very low	40.2	Very low	104 Å²	104	115.8 Å²	115.8	49%	0.486	58%	0.58	S	S	.	*	H	α-helix	trans	-61.2	-44.4	167.3	-82.3	-162.9	101	0	0	112.6	S34 L40 L41 R42	S34-E38 WeakPolarHBondContact O-CB 3.36Å; S34-E38 PolarHBondContact O-N 3.42Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.16Å; E38-L41 PolarHBondContact O-N 3.38Å; E38-R42 VanDerWaalsContact O-CB 3.27Å; E38-R42 WeakPolarHBondContact O-CB 3.43Å; E38-R42 PolarHBondContact O-N 3.06Å; E38-R42 IonicContact OE1-NH2 3.84Å
39	R	33	Very low	41.8	Very low	184 Å²	184	112.4 Å²	112.4	69%	0.694	56%	0.558	S	S	*	*	H	α-helix	trans	-65	-38.9	179	-80.9	175.3	171	-172.7	-5.8	111.8	R35 V36 G43	R35-R39 WeakPolarHBondContact O-CB 3.37Å; R35-R39 WeakPolarHBondContact O-CD 3.33Å; R35-R39 VanDerWaalsContact O-CG 3.22Å; R35-R39 WeakPolarHBondContact O-CG 3.38Å; R35-R39 PolarHBondContact O-N 3.22Å; V36-R39 PolarHBondContact O-N 3.1Å; R39-G43 PolarHBondContact O-N 2.82Å; R39-G43 VanDerWaalsContact O-N 3.15Å
40	L	38.4	Very low	43.7	Very low	99 Å²	99	106.6 Å²	106.6	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-63.1	-52.7	171.8	-74.8	167.5	0	0	0	111.2	V36 Q37 E38 R42 G43 Y44	V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 WeakPolarHBondContact O-CG 3.39Å; V36-L40 PolarHBondContact O-N 2.68Å; Q37-L40 PolarHBondContact O-N 3.34Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.16Å; L40-R42 VanDerWaalsContact C-N 3.33Å; L40-R42 PolarHBondContact O-N 3.02Å; L40-G43 PolarHBondContact O-N 3.48Å; L40-Y44 VanDerWaalsContact O-CD2 3.23Å; L40-Y44 WeakPolarHBondContact O-CD2 3.26Å; L40-Y44 PolarHBondContact O-N 3.27Å
41	L	43	Very low	45.6	Very low	113 Å²	113	97 Å²	97	59%	0.592	50%	0.496	S	S	*	.	H	α-helix	trans	-59.8	-40.6	-179.2	-75.4	166.4	0	0	0	112.7	Q37 E38 Y44 A45	Q37-L41 HydrophobicContact CG-CD1 4.43Å; Q37-L41 WeakPolarHBondContact O-CB 3.39Å; Q37-L41 VanDerWaalsContact O-CG 3.25Å; Q37-L41 WeakPolarHBondContact O-CG 3.36Å; Q37-L41 PolarHBondContact O-N 2.84Å; E38-L41 PolarHBondContact O-N 3.38Å; L41-Y44 PolarHBondContact O-N 3.24Å; L41-A45 PolarHBondContact O-N 3.4Å
42	R	38.9	Very low	47.1	Very low	166 Å²	166	93.4 Å²	93.4	63%	0.626	47%	0.469	S	S	*	.	H	α-helix	trans	-65.6	-44.9	177.9	-160.5	173.3	-64.2	-109	2.6	111.4	E38 L40 Y44 A45 D46	E38-R42 VanDerWaalsContact O-CB 3.27Å; E38-R42 WeakPolarHBondContact O-CB 3.43Å; E38-R42 PolarHBondContact O-N 3.06Å; E38-R42 IonicContact OE1-NH2 3.84Å; L40-R42 VanDerWaalsContact C-N 3.33Å; L40-R42 PolarHBondContact O-N 3.02Å; R42-Y44 VanDerWaalsContact C-N 3.34Å; R42-Y44 PolarHBondContact O-N 3.43Å; R42-A45 PolarHBondContact O-N 3.14Å; R42-D46 PolarHBondContact O-N 3.44Å
43	G	41.7	Very low	48.6	Very low	41 Å²	41	94.4 Å²	94.4	42%	0.423	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-36.1	173.4	0	0	0	0	0	113.9	R39 L40 A45 D47	R39-G43 PolarHBondContact O-N 2.82Å; R39-G43 VanDerWaalsContact O-N 3.15Å; L40-G43 PolarHBondContact O-N 3.48Å; G43-A45 VanDerWaalsContact C-N 3.34Å; G43-D47 PolarHBondContact O-N 3.12Å
44	Y	47.8	Very low	50.3	Low	153 Å²	153	94.7 Å²	94.7	60%	0.6	47%	0.465	S	S	*	.	H	α-helix	trans	-68.2	-30	174.1	-86.9	-66	0	0	0	113.5	L40 L41 R42 L48	L40-Y44 VanDerWaalsContact O-CD2 3.23Å; L40-Y44 WeakPolarHBondContact O-CD2 3.26Å; L40-Y44 PolarHBondContact O-N 3.27Å; L41-Y44 PolarHBondContact O-N 3.24Å; R42-Y44 VanDerWaalsContact C-N 3.34Å; R42-Y44 PolarHBondContact O-N 3.43Å; Y44-L48 PolarHBondContact O-N 3.41Å
45	A	50.2	Low	51.9	Low	56 Å²	56	94.8 Å²	94.8	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-72.9	-42.1	176.9	0	0	0	0	0	112.2	L41 R42 G43 D47 L48 D49	L41-A45 PolarHBondContact O-N 3.4Å; R42-A45 PolarHBondContact O-N 3.14Å; G43-A45 VanDerWaalsContact C-N 3.34Å; A45-D47 VanDerWaalsContact C-N 3.33Å; A45-D47 PolarHBondContact O-N 3.39Å; A45-L48 PolarHBondContact O-N 3.4Å; A45-D49 PolarHBondContact O-N 3.03Å; A45-D49 VanDerWaalsContact O-N 3.13Å
46	D	49.9	Very low	53.4	Low	112 Å²	112	92.6 Å²	92.6	60%	0.599	45%	0.449	S	S	*	.	H	α-helix	trans	-62.3	-39.1	179.1	-67.9	-34	0	0	0	111.8	R42 S50	R42-D46 PolarHBondContact O-N 3.44Å; D46-S50 VanDerWaalsContact O-CB 3.32Å; D46-S50 WeakPolarHBondContact O-CB 3.43Å; D46-S50 PolarHBondContact O-N 3.19Å
47	D	56.8	Low	54.5	Low	88 Å²	88	98 Å²	98	47%	0.471	46%	0.46	S	S	.	.	H	α-helix	trans	-67.9	-38.6	176.6	-125.6	-1.8	0	0	0	112	G43 A45 S50 F51	G43-D47 PolarHBondContact O-N 3.12Å; A45-D47 VanDerWaalsContact C-N 3.33Å; A45-D47 PolarHBondContact O-N 3.39Å; D47-S50 VanDerWaalsContact O-CB 3.26Å; D47-S50 WeakPolarHBondContact O-CB 3.48Å; D47-S50 PolarHBondContact O-N 3.1Å; D47-F51 WeakPolarHBondContact O-CD2 3.13Å; D47-F51 PolarHBondContact O-N 3.03Å
48	L	60	Low	56.2	Low	73 Å²	73	95.2 Å²	95.2	38%	0.382	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-42.1	177.1	-86.4	165.6	0	0	0	112.8	Y44 A45 S50 F51 R52	Y44-L48 PolarHBondContact O-N 3.41Å; A45-L48 PolarHBondContact O-N 3.4Å; L48-S50 VanDerWaalsContact C-N 3.33Å; L48-F51 PolarHBondContact O-N 2.93Å; L48-R52 WeakPolarHBondContact O-CB 3.39Å; L48-R52 PolarHBondContact O-N 2.96Å
49	D	63.3	Low	57.3	Low	46 Å²	46	95.3 Å²	95.3	25%	0.246	46%	0.457	C	S	.	.	H	α-helix	trans	-71.9	-29.4	173.7	-152	75.2	0	0	0	111.5	A45 R52 Q53	A45-D49 PolarHBondContact O-N 3.03Å; A45-D49 VanDerWaalsContact O-N 3.13Å; D49-R52 WeakPolarHBondContact O-CB 3.48Å; D49-R52 PolarHBondContact O-N 2.76Å; D49-R52 WeakPolarHBondContact OD1-CD 3.25Å; D49-R52 IonicContact OD1-CZ 3.41Å; D49-R52 IonicContact OD1-NE 3.5Å; D49-R52 IonicContact OD1-NH1 3.63Å; D49-R52 PolarHBondContact OD1-NH1 3.27Å; D49-Q53 WeakPolarHBondContact O-CB 3.17Å; D49-Q53 VanDerWaalsContact O-CG 3.26Å; D49-Q53 WeakPolarHBondContact O-CG 3.49Å; D49-Q53 PolarHBondContact O-N 3.27Å; D49-Q53 PolarHBondContact OD2-NE2 2.95Å
50	S	66.9	Low	58.6	Low	39 Å²	39	92.8 Å²	92.8	27%	0.273	45%	0.449	S	S	.	.	H	α-helix	trans	-58.9	-47	170.2	-171.8	0	0	0	0	112.2	D46 D47 L48 Q53 K54	D46-S50 VanDerWaalsContact O-CB 3.32Å; D46-S50 WeakPolarHBondContact O-CB 3.43Å; D46-S50 PolarHBondContact O-N 3.19Å; D47-S50 VanDerWaalsContact O-CB 3.26Å; D47-S50 WeakPolarHBondContact O-CB 3.48Å; D47-S50 PolarHBondContact O-N 3.1Å; L48-S50 VanDerWaalsContact C-N 3.33Å; S50-Q53 PolarHBondContact O-N 2.93Å; S50-K54 WeakPolarHBondContact O-CB 3.17Å; S50-K54 WeakPolarHBondContact O-CD 3.37Å; S50-K54 VanDerWaalsContact O-CG 3.23Å; S50-K54 WeakPolarHBondContact O-CG 3.48Å; S50-K54 PolarHBondContact O-N 3.29Å; S50-K54 WeakPolarHBondContact OG-CE 3.27Å; S50-K54 PolarHBondContact OG-NZ 2.87Å
51	F	66.9	Low	59.5	Low	48 Å²	48	90.2 Å²	90.2	21%	0.211	44%	0.439	C	S	.	.	H	α-helix	trans	-68.2	-38.7	175.1	-70.8	-66.4	0	0	0	113	D47 L48 Q53 K54 F55 L76 Q79 W80	D47-F51 WeakPolarHBondContact O-CD2 3.13Å; D47-F51 PolarHBondContact O-N 3.03Å; L48-F51 PolarHBondContact O-N 2.93Å; F51-Q53 VanDerWaalsContact C-N 3.35Å; F51-Q53 PolarHBondContact O-N 3.08Å; F51-K54 HydrophobicContact CD1-CD 4.18Å; F51-K54 PolarHBondContact O-N 3.03Å; F51-F55 WeakPolarHBondContact O-CB 3.46Å; F51-F55 PolarHBondContact O-N 3.41Å; F51-L76 HydrophobicContact CD1-CD2 4.05Å; F51-Q79 HydrophobicContact CD1-CB 4.3Å; F51-Q79 HydrophobicContact CG-CB 4.25Å; F51-W80 HydrophobicContact CB-CB 4.49Å
52	R	70	Confident	59.6	Low	46 Å²	46	93 Å²	93	17%	0.174	45%	0.449	C	S	.	.	H	α-helix	trans	-58.8	-43.2	172.2	-175.5	-163	-162.7	174.5	11.4	112.2	L48 D49 R56 W80	L48-R52 WeakPolarHBondContact O-CB 3.39Å; L48-R52 PolarHBondContact O-N 2.96Å; D49-R52 WeakPolarHBondContact O-CB 3.48Å; D49-R52 PolarHBondContact O-N 2.76Å; D49-R52 WeakPolarHBondContact OD1-CD 3.25Å; D49-R52 IonicContact OD1-CZ 3.41Å; D49-R52 IonicContact OD1-NE 3.5Å; D49-R52 IonicContact OD1-NH1 3.63Å; D49-R52 PolarHBondContact OD1-NH1 3.27Å; R52-R56 VanDerWaalsContact O-CB 3.25Å; R52-R56 WeakPolarHBondContact O-CB 3.44Å; R52-R56 PolarHBondContact O-N 2.67Å; R52-W80 HydrophobicContact CB-CD2 4.37Å; R52-W80 HydrophobicContact CB-CG 4.16Å; R52-W80 HydrophobicContact CG-CD2 4.31Å; R52-W80 HydrophobicContact CG-CZ2 4.04Å
53	Q	67.3	Low	60.2	Low	101 Å²	101	94 Å²	94	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-68.3	-43.9	176.8	-73.4	-177.7	42.9	0	0	111.5	D49 S50 F51 F55 R56 W57	D49-Q53 WeakPolarHBondContact O-CB 3.17Å; D49-Q53 VanDerWaalsContact O-CG 3.26Å; D49-Q53 WeakPolarHBondContact O-CG 3.49Å; D49-Q53 PolarHBondContact O-N 3.27Å; D49-Q53 PolarHBondContact OD2-NE2 2.95Å; S50-Q53 PolarHBondContact O-N 2.93Å; F51-Q53 VanDerWaalsContact C-N 3.35Å; F51-Q53 PolarHBondContact O-N 3.08Å; Q53-F55 PolarHBondContact O-N 3.46Å; Q53-R56 PolarHBondContact O-N 3.27Å; Q53-R56 VanDerWaalsContact O-N 3.12Å; Q53-W57 VanDerWaalsContact O-CD1 3.3Å; Q53-W57 PolarHBondContact O-N 2.71Å
54	K	71.6	Confident	61.4	Low	99 Å²	99	95.3 Å²	95.3	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-58.6	-44.5	174.4	-71.5	159.9	-173.5	156.3	0	112	S50 F51 R56 W57 F58 L76	S50-K54 WeakPolarHBondContact O-CB 3.17Å; S50-K54 WeakPolarHBondContact O-CD 3.37Å; S50-K54 VanDerWaalsContact O-CG 3.23Å; S50-K54 WeakPolarHBondContact O-CG 3.48Å; S50-K54 PolarHBondContact O-N 3.29Å; S50-K54 WeakPolarHBondContact OG-CE 3.27Å; S50-K54 PolarHBondContact OG-NZ 2.87Å; F51-K54 HydrophobicContact CD1-CD 4.18Å; F51-K54 PolarHBondContact O-N 3.03Å; K54-R56 VanDerWaalsContact C-N 3.34Å; K54-R56 PolarHBondContact O-N 3.5Å; K54-W57 CarbonylContact O-C 3.45Å; K54-W57 PolarHBondContact O-N 2.97Å; K54-F58 WeakPolarHBondContact O-CB 3.2Å; K54-F58 PolarHBondContact O-N 2.8Å; K54-F58 VanDerWaalsContact O-N 3.1Å; K54-L76 HydrophobicContact CB-CD2 4.03Å
55	F	73.2	Confident	62.2	Low	63 Å²	63	89.1 Å²	89.1	28%	0.276	44%	0.438	S	S	.	.	H	α-helix	trans	-60.4	-42.2	173.1	175.5	-102.5	0	0	0	112.2	F51 Q53 W57 F58 L73 L76 C77 W80	F51-F55 WeakPolarHBondContact O-CB 3.46Å; F51-F55 PolarHBondContact O-N 3.41Å; Q53-F55 PolarHBondContact O-N 3.46Å; F55-W57 VanDerWaalsContact C-N 3.34Å; F55-W57 PolarHBondContact O-N 3.46Å; F55-F58 WeakPolarHBondContact O-CB 3.31Å; F55-F58 PolarHBondContact O-N 3.41Å; F55-L73 HydrophobicContact CD2-CD1 3.76Å; F55-L73 HydrophobicContact CE2-CD1 3.51Å; F55-L73 HydrophobicContact CE2-CG 4.3Å; F55-L76 HydrophobicContact CB-CB 4.43Å; F55-L76 HydrophobicContact CD2-CB 4.39Å; F55-C77 WeakPolarHBondContact CE2-SG 2.98Å; F55-W80 AromaticContact CD1-CE3 3.7Å; F55-W80 HydrophobicContact CD1-CE3 3.7Å; F55-W80 AromaticContact CD1-CZ3 3.58Å; F55-W80 HydrophobicContact CD1-CZ3 3.58Å; F55-W80 HydrophobicContact CE1-CE3 4.08Å; F55-W80 AromaticContact CE1-CZ3 3.6Å; F55-W80 HydrophobicContact CE1-CZ3 3.6Å; F55-W80 HydrophobicContact CG-CE3 4.16Å; F55-W80 HydrophobicContact CG-CZ3 4.47Å; F55-W80 HydrophobicContact CZ-CZ3 4.49Å
56	R	67.3	Low	62.5	Low	103 Å²	103	90.6 Å²	90.6	39%	0.389	44%	0.443	S	S	.	.	H	α-helix	trans	-70.3	-24.6	-178.8	174.3	170.1	169.4	136.1	-2.9	114.5	R52 Q53 K54 E98	R52-R56 VanDerWaalsContact O-CB 3.25Å; R52-R56 WeakPolarHBondContact O-CB 3.44Å; R52-R56 PolarHBondContact O-N 2.67Å; Q53-R56 PolarHBondContact O-N 3.27Å; Q53-R56 VanDerWaalsContact O-N 3.12Å; K54-R56 VanDerWaalsContact C-N 3.34Å; K54-R56 PolarHBondContact O-N 3.5Å; R56-E98 IonicContact CZ-OE1 2.71Å; R56-E98 IonicContact NH1-OE1 3.09Å; R56-E98 PolarHBondContact NH1-OE1 3.36Å
57	W	63.4	Low	63.2	Low	202 Å²	202	95.3 Å²	95.3	77%	0.765	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	19.2	176.8	-66	108	0	0	0	112.8	Q53 K54 F55 C59	Q53-W57 VanDerWaalsContact O-CD1 3.3Å; Q53-W57 PolarHBondContact O-N 2.71Å; K54-W57 CarbonylContact O-C 3.45Å; K54-W57 PolarHBondContact O-N 2.97Å; F55-W57 VanDerWaalsContact C-N 3.34Å; F55-W57 PolarHBondContact O-N 3.46Å; W57-C59 PolarHBondContact O-N 3.05Å
58	F	73.5	Confident	63.8	Low	63 Å²	63	96.4 Å²	96.4	28%	0.276	45%	0.453	S	S	.	.			trans	-72.9	109.6	-177.9	-174.6	-98.2	0	0	0	111.6	K54 F55 T69 Q72 L73 L76	K54-F58 WeakPolarHBondContact O-CB 3.2Å; K54-F58 PolarHBondContact O-N 2.8Å; K54-F58 VanDerWaalsContact O-N 3.1Å; F55-F58 WeakPolarHBondContact O-CB 3.31Å; F55-F58 PolarHBondContact O-N 3.41Å; F58-T69 HydrophobicContact CE1-CG2 3.55Å; F58-T69 HydrophobicContact CZ-CG2 3.65Å; F58-T69 WeakPolarHBondContact CZ-O 3.18Å; F58-Q72 HydrophobicContact CE2-CB 3.86Å; F58-Q72 HydrophobicContact CZ-CB 3.84Å; F58-L73 HydrophobicContact CD1-CB 4.42Å; F58-L73 HydrophobicContact CD1-CD1 3.67Å; F58-L73 HydrophobicContact CE1-CB 3.91Å; F58-L73 HydrophobicContact CE1-CD1 4.03Å; F58-L73 HydrophobicContact CE1-CG 4.47Å; F58-L73 HydrophobicContact CG-CD1 4.16Å; F58-L73 HydrophobicContact CZ-CB 4.24Å; F58-L76 HydrophobicContact CD2-CD1 3.5Å; F58-L76 HydrophobicContact CE2-CD1 3.95Å; F58-L76 HydrophobicContact CG-CD1 4.23Å
59	C	59.6	Low	64.7	Low	107 Å²	107	93.3 Å²	93.3	72%	0.723	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-98.1	142.9	178.3	-67.7	0	0	0	0	111.8	W57 S61	W57-C59 PolarHBondContact O-N 3.05Å; C59-S61 PolarHBondContact O-N 2.79Å
60	Y	60.9	Low	65.2	Low	131 Å²	131	96.4 Å²	96.4	51%	0.514	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-73.8	119.5	174.9	178.3	-87.6	0	0	0	111	Q62 P66 T69	Y60-Q62 HydrophobicContact CD1-CG 4.44Å; Y60-Q62 HydrophobicContact CE1-CB 4.5Å; Y60-Q62 HydrophobicContact CE1-CG 3.81Å; Y60-P66 HydrophobicContact CE2-CB 4.13Å; Y60-T69 HydrophobicContact CD2-CG2 3.7Å; Y60-T69 HydrophobicContact CE2-CG2 4.3Å; Y60-T69 HydrophobicContact CG-CG2 4.45Å
61	S	58.3	Low	65.6	Low	44 Å²	44	99.3 Å²	99.3	31%	0.308	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-97	127.9	169.2	179.4	0	0	0	0	110.9	C59 E63 E64	C59-S61 PolarHBondContact O-N 2.79Å; S61-E63 VanDerWaalsContact C-N 3.27Å; S61-E63 PolarHBondContact O-N 2.94Å; S61-E63 PolarHBondContact OG-N 3.39Å; S61-E64 PolarHBondContact O-N 3.14Å
62	Q	44.9	Very low	66.1	Low	171 Å²	171	99.9 Å²	99.9	80%	0.799	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-29.9	175.1	-78.6	-176.1	-0.8	0	0	112.8	Y60 E64 G65	Y60-Q62 HydrophobicContact CD1-CG 4.44Å; Y60-Q62 HydrophobicContact CE1-CB 4.5Å; Y60-Q62 HydrophobicContact CE1-CG 3.81Å; Q62-E64 VanDerWaalsContact C-N 3.28Å; Q62-E64 PolarHBondContact O-N 3.15Å; Q62-G65 PolarHBondContact O-N 3.48Å
63	E	50.8	Low	66.4	Low	188 Å²	188	100.4 Å²	100.4	88%	0.879	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.8	-177	-58.7	-176.4	158.5	0	0	113	S61	S61-E63 VanDerWaalsContact C-N 3.27Å; S61-E63 PolarHBondContact O-N 2.94Å; S61-E63 PolarHBondContact OG-N 3.39Å
64	E	66.2	Low	66.9	Low	69 Å²	69	103.2 Å²	103.2	32%	0.322	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-24.7	-177.4	-66.4	-144.6	98.6	0	0	113.2	S61 Q62 K68 Q72	S61-E64 PolarHBondContact O-N 3.14Å; Q62-E64 VanDerWaalsContact C-N 3.28Å; Q62-E64 PolarHBondContact O-N 3.15Å; E64-K68 HydrophobicContact CB-CB 4.4Å; E64-K68 HydrophobicContact CB-CD 4.01Å; E64-K68 HydrophobicContact CG-CD 4.42Å; E64-K68 WeakPolarHBondContact O-CB 3.36Å; E64-K68 WeakPolarHBondContact OE1-CE 3.5Å; E64-K68 IonicContact OE1-NZ 2.67Å; E64-K68 PolarHBondContact OE1-NZ 2.87Å; E64-Q72 VanDerWaalsContact CD-NE2 3.34Å; E64-Q72 PolarHBondContact OE1-NE2 3.45Å; E64-Q72 PolarHBondContact OE2-NE2 2.84Å; E64-Q72 PolarHBondContact OE2-OE1 2.87Å
65	G	65.8	Low	67.2	Low	23 Å²	23	101.2 Å²	101.2	24%	0.237	47%	0.474	C	S	.	.			trans	75.4	146.5	179.3	0	0	0	0	0	114	Q62 R67 K68 T69	Q62-G65 PolarHBondContact O-N 3.48Å; G65-R67 PolarHBondContact O-N 3.33Å; G65-K68 PolarHBondContact O-N 3.01Å; G65-T69 PolarHBondContact O-N 2.65Å; G65-T69 VanDerWaalsContact O-N 3.14Å; G65-T69 PolarHBondContact O-OG1 3.17Å; G65-T69 VanDerWaalsContact O-OG1 3.1Å
66	P	56.4	Low	67.5	Low	87 Å²	87	99.3 Å²	99.3	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-62.3	-25	-163	23.3	-34.2	0	0	0	114.4	Y60 L70	Y60-P66 HydrophobicContact CE2-CB 4.13Å; P66-L70 WeakPolarHBondContact O-CB 3.42Å; P66-L70 PolarHBondContact O-N 3.2Å
67	R	65	Low	67.9	Low	210 Å²	210	96.2 Å²	96.2	79%	0.792	46%	0.46	S	S	*	.	H	α-helix	trans	-74.6	-32.7	177	-164.7	172.9	-172.9	161.9	1.3	112.9	G65 N71	G65-R67 PolarHBondContact O-N 3.33Å; R67-N71 PolarHBondContact O-N 2.82Å; R67-N71 PolarHBondContact O-ND2 2.88Å; R67-N71 PolarHBondContact O-OD1 3.07Å
68	K	68.8	Low	68.6	Low	111 Å²	111	90.2 Å²	90.2	48%	0.483	44%	0.439	S	S	.	.	H	α-helix	trans	-75.8	-44.4	174.6	-164.2	179.1	177.6	-159.4	0	109.8	E64 G65 L70 N71 Q72	E64-K68 HydrophobicContact CB-CB 4.4Å; E64-K68 HydrophobicContact CB-CD 4.01Å; E64-K68 HydrophobicContact CG-CD 4.42Å; E64-K68 WeakPolarHBondContact O-CB 3.36Å; E64-K68 WeakPolarHBondContact OE1-CE 3.5Å; E64-K68 IonicContact OE1-NZ 2.67Å; E64-K68 PolarHBondContact OE1-NZ 2.87Å; G65-K68 PolarHBondContact O-N 3.01Å; K68-L70 PolarHBondContact O-N 3.06Å; K68-N71 PolarHBondContact O-N 3.27Å; K68-N71 VanDerWaalsContact O-N 3.14Å; K68-Q72 WeakPolarHBondContact O-CG 3.35Å; K68-Q72 PolarHBondContact O-N 2.79Å; K68-Q72 PolarHBondContact O-OE1 3.46Å
69	T	78.8	Confident	68.8	Low	8 Å²	8	90.7 Å²	90.7	5%	0.049	44%	0.442	C	S	.	.	H	α-helix	trans	-59.4	-42.2	175.8	-42.5	0	0	0	0	112.7	F58 Y60 G65 Q72 L73	F58-T69 HydrophobicContact CE1-CG2 3.55Å; F58-T69 HydrophobicContact CZ-CG2 3.65Å; F58-T69 WeakPolarHBondContact CZ-O 3.18Å; Y60-T69 HydrophobicContact CD2-CG2 3.7Å; Y60-T69 HydrophobicContact CE2-CG2 4.3Å; Y60-T69 HydrophobicContact CG-CG2 4.45Å; G65-T69 PolarHBondContact O-N 2.65Å; G65-T69 VanDerWaalsContact O-N 3.14Å; G65-T69 PolarHBondContact O-OG1 3.17Å; G65-T69 VanDerWaalsContact O-OG1 3.1Å; T69-Q72 VanDerWaalsContact CA-OE1 3.3Å; T69-Q72 PolarHBondContact O-N 2.87Å; T69-L73 WeakPolarHBondContact O-CB 3.49Å; T69-L73 PolarHBondContact O-N 2.84Å
70	L	72.6	Confident	69.7	Low	112 Å²	112	86.7 Å²	86.7	59%	0.586	41%	0.412	S	S	*	.	H	α-helix	trans	-65.2	-39.4	174.4	-178	62.1	0	0	0	112.6	P66 K68 L73 W74	P66-L70 WeakPolarHBondContact O-CB 3.42Å; P66-L70 PolarHBondContact O-N 3.2Å; K68-L70 PolarHBondContact O-N 3.06Å; L70-L73 PolarHBondContact O-N 3Å; L70-W74 VanDerWaalsContact O-CB 3.31Å; L70-W74 WeakPolarHBondContact O-CB 3.41Å; L70-W74 PolarHBondContact O-N 3.11Å
71	N	76.8	Confident	70.5	Confident	100 Å²	100	81.5 Å²	81.5	54%	0.535	39%	0.393	S	S	.	.	H	α-helix	trans	-67.1	-41	177	-73.7	-6.9	0	0	0	111.9	R67 K68 W74 E75	R67-N71 PolarHBondContact O-N 2.82Å; R67-N71 PolarHBondContact O-ND2 2.88Å; R67-N71 PolarHBondContact O-OD1 3.07Å; K68-N71 PolarHBondContact O-N 3.27Å; K68-N71 VanDerWaalsContact O-N 3.14Å; N71-W74 PolarHBondContact O-N 2.94Å; N71-E75 WeakPolarHBondContact O-CB 3.3Å; N71-E75 PolarHBondContact O-N 3.27Å
72	Q	76.9	Confident	71.5	Confident	60 Å²	60	83.7 Å²	83.7	28%	0.28	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-46.6	173.8	-71	161.4	-33.6	0	0	111.3	F58 E64 K68 T69 W74 E75 L76	F58-Q72 HydrophobicContact CE2-CB 3.86Å; F58-Q72 HydrophobicContact CZ-CB 3.84Å; E64-Q72 VanDerWaalsContact CD-NE2 3.34Å; E64-Q72 PolarHBondContact OE1-NE2 3.45Å; E64-Q72 PolarHBondContact OE2-NE2 2.84Å; E64-Q72 PolarHBondContact OE2-OE1 2.87Å; K68-Q72 WeakPolarHBondContact O-CG 3.35Å; K68-Q72 PolarHBondContact O-N 2.79Å; K68-Q72 PolarHBondContact O-OE1 3.46Å; T69-Q72 VanDerWaalsContact CA-OE1 3.3Å; T69-Q72 PolarHBondContact O-N 2.87Å; Q72-W74 VanDerWaalsContact C-N 3.34Å; Q72-W74 PolarHBondContact O-N 2.99Å; Q72-E75 PolarHBondContact O-N 2.59Å; Q72-L76 WeakPolarHBondContact O-CB 3.47Å; Q72-L76 WeakPolarHBondContact O-CG 3.2Å; Q72-L76 PolarHBondContact O-N 3.13Å
73	L	76.8	Confident	72.9	Confident	57 Å²	57	79.2 Å²	79.2	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-42.3	177	-173.8	69	0	0	0	111.7	F55 F58 T69 L70 L76 C77	F55-L73 HydrophobicContact CD2-CD1 3.76Å; F55-L73 HydrophobicContact CE2-CD1 3.51Å; F55-L73 HydrophobicContact CE2-CG 4.3Å; F58-L73 HydrophobicContact CD1-CB 4.42Å; F58-L73 HydrophobicContact CD1-CD1 3.67Å; F58-L73 HydrophobicContact CE1-CB 3.91Å; F58-L73 HydrophobicContact CE1-CD1 4.03Å; F58-L73 HydrophobicContact CE1-CG 4.47Å; F58-L73 HydrophobicContact CG-CD1 4.16Å; F58-L73 HydrophobicContact CZ-CB 4.24Å; T69-L73 WeakPolarHBondContact O-CB 3.49Å; T69-L73 PolarHBondContact O-N 2.84Å; L70-L73 PolarHBondContact O-N 3Å; L73-L76 PolarHBondContact O-N 3.13Å; L73-C77 WeakPolarHBondContact O-CB 3.14Å; L73-C77 PolarHBondContact O-N 3.4Å; L73-C77 PolarHBondContact O-SG 2.89Å; L73-C77 VanDerWaalsContact O-SG 3.36Å
74	W	77.7	Confident	74	Confident	159 Å²	159	75.2 Å²	75.2	60%	0.602	37%	0.365	S	S	*	.	H	α-helix	trans	-63.9	-42.5	176.5	-178.8	85.9	0	0	0	112.3	L70 N71 Q72 C77 K78	L70-W74 VanDerWaalsContact O-CB 3.31Å; L70-W74 WeakPolarHBondContact O-CB 3.41Å; L70-W74 PolarHBondContact O-N 3.11Å; N71-W74 PolarHBondContact O-N 2.94Å; Q72-W74 VanDerWaalsContact C-N 3.34Å; Q72-W74 PolarHBondContact O-N 2.99Å; W74-C77 WeakPolarHBondContact O-CB 3.35Å; W74-C77 PolarHBondContact O-N 3.27Å; W74-K78 HydrophobicContact CE3-CD 4.24Å; W74-K78 HydrophobicContact CH2-CD 3.57Å; W74-K78 HydrophobicContact CZ2-CD 4.14Å; W74-K78 HydrophobicContact CZ3-CD 3.62Å; W74-K78 VanDerWaalsContact O-CB 3.27Å; W74-K78 WeakPolarHBondContact O-CB 3.44Å; W74-K78 PolarHBondContact O-N 3.12Å
75	E	78.4	Confident	74.2	Confident	57 Å²	57	77.1 Å²	77.1	27%	0.266	38%	0.376	S	S	.	.	H	α-helix	trans	-70.1	-36.5	178.1	-169.8	59.8	-143.1	0	0	111.6	N71 Q72 K78 Q79	N71-E75 WeakPolarHBondContact O-CB 3.3Å; N71-E75 PolarHBondContact O-N 3.27Å; Q72-E75 PolarHBondContact O-N 2.59Å; E75-K78 PolarHBondContact O-N 3.38Å; E75-K78 IonicContact OE1-NZ 3.6Å; E75-K78 PolarHBondContact OE1-NZ 2.85Å; E75-K78 IonicContact OE2-NZ 3.51Å; E75-K78 PolarHBondContact OE2-NZ 3.09Å; E75-Q79 WeakPolarHBondContact O-CB 3.44Å; E75-Q79 VanDerWaalsContact O-CG 3.26Å; E75-Q79 WeakPolarHBondContact O-CG 3.22Å; E75-Q79 PolarHBondContact O-N 2.85Å; E75-Q79 PolarHBondContact OE1-NE2 3.27Å
76	L	78.2	Confident	74.7	Confident	24 Å²	24	78.8 Å²	78.8	13%	0.126	38%	0.378	C	S	.	.	H	α-helix	trans	-62.8	-45.2	169.9	-74.2	172.5	0	0	0	112.2	F51 K54 F55 F58 Q72 L73 K78 Q79 W80	F51-L76 HydrophobicContact CD1-CD2 4.05Å; K54-L76 HydrophobicContact CB-CD2 4.03Å; F55-L76 HydrophobicContact CB-CB 4.43Å; F55-L76 HydrophobicContact CD2-CB 4.39Å; F58-L76 HydrophobicContact CD2-CD1 3.5Å; F58-L76 HydrophobicContact CE2-CD1 3.95Å; F58-L76 HydrophobicContact CG-CD1 4.23Å; Q72-L76 WeakPolarHBondContact O-CB 3.47Å; Q72-L76 WeakPolarHBondContact O-CG 3.2Å; Q72-L76 PolarHBondContact O-N 3.13Å; L73-L76 PolarHBondContact O-N 3.13Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.18Å; L76-Q79 PolarHBondContact O-N 3.31Å; L76-W80 WeakPolarHBondContact O-CB 3.5Å; L76-W80 PolarHBondContact O-N 3.34Å
77	C	76.2	Confident	75.8	Confident	37 Å²	37	77.9 Å²	77.9	25%	0.25	37%	0.371	C	S	.	.	H	α-helix	trans	-56.5	-43.9	172.4	-79.1	0	0	0	0	111.8	F55 L73 W74 L81	F55-C77 WeakPolarHBondContact CE2-SG 2.98Å; L73-C77 WeakPolarHBondContact O-CB 3.14Å; L73-C77 PolarHBondContact O-N 3.4Å; L73-C77 PolarHBondContact O-SG 2.89Å; L73-C77 VanDerWaalsContact O-SG 3.36Å; W74-C77 WeakPolarHBondContact O-CB 3.35Å; W74-C77 PolarHBondContact O-N 3.27Å; C77-L81 VanDerWaalsContact O-CB 3.25Å; C77-L81 WeakPolarHBondContact O-CB 3.35Å; C77-L81 WeakPolarHBondContact O-CG 3.48Å; C77-L81 PolarHBondContact O-N 2.97Å
78	K	77.6	Confident	76.1	Confident	77 Å²	77	75.7 Å²	75.7	34%	0.335	37%	0.367	S	S	.	.	H	α-helix	trans	-67.9	-40.5	-179.1	173.2	173.1	157.3	-104.4	0	112.1	W74 E75 L76 R82	W74-K78 HydrophobicContact CE3-CD 4.24Å; W74-K78 HydrophobicContact CH2-CD 3.57Å; W74-K78 HydrophobicContact CZ2-CD 4.14Å; W74-K78 HydrophobicContact CZ3-CD 3.62Å; W74-K78 VanDerWaalsContact O-CB 3.27Å; W74-K78 WeakPolarHBondContact O-CB 3.44Å; W74-K78 PolarHBondContact O-N 3.12Å; E75-K78 PolarHBondContact O-N 3.38Å; E75-K78 IonicContact OE1-NZ 3.6Å; E75-K78 PolarHBondContact OE1-NZ 2.85Å; E75-K78 IonicContact OE2-NZ 3.51Å; E75-K78 PolarHBondContact OE2-NZ 3.09Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.18Å; K78-R82 VanDerWaalsContact O-CA 3.25Å; K78-R82 WeakPolarHBondContact O-CA 3.36Å; K78-R82 PolarHBondContact O-N 3.21Å
79	Q	77.6	Confident	76.3	Confident	73 Å²	73	76.4 Å²	76.4	34%	0.341	37%	0.372	S	S	.	.	H	α-helix	trans	-72.9	-35	178.1	-71.1	172	6.5	0	0	112.6	F51 E75 L76 R82	F51-Q79 HydrophobicContact CD1-CB 4.3Å; F51-Q79 HydrophobicContact CG-CB 4.25Å; E75-Q79 WeakPolarHBondContact O-CB 3.44Å; E75-Q79 VanDerWaalsContact O-CG 3.26Å; E75-Q79 WeakPolarHBondContact O-CG 3.22Å; E75-Q79 PolarHBondContact O-N 2.85Å; E75-Q79 PolarHBondContact OE1-NE2 3.27Å; L76-Q79 PolarHBondContact O-N 3.31Å; Q79-R82 VanDerWaalsContact O-CG 3.29Å; Q79-R82 WeakPolarHBondContact O-CG 3.48Å
80	W	79.1	Confident	75.9	Confident	22 Å²	22	80.4 Å²	80.4	8%	0.083	39%	0.39	C	S	.	.	H	α-helix	trans	-76.8	-53.7	174.8	172	37.9	0	0	0	113.1	F51 R52 F55 L76 L95 E98	F51-W80 HydrophobicContact CB-CB 4.49Å; R52-W80 HydrophobicContact CB-CD2 4.37Å; R52-W80 HydrophobicContact CB-CG 4.16Å; R52-W80 HydrophobicContact CG-CD2 4.31Å; R52-W80 HydrophobicContact CG-CZ2 4.04Å; F55-W80 AromaticContact CD1-CE3 3.7Å; F55-W80 HydrophobicContact CD1-CE3 3.7Å; F55-W80 AromaticContact CD1-CZ3 3.58Å; F55-W80 HydrophobicContact CD1-CZ3 3.58Å; F55-W80 HydrophobicContact CE1-CE3 4.08Å; F55-W80 AromaticContact CE1-CZ3 3.6Å; F55-W80 HydrophobicContact CE1-CZ3 3.6Å; F55-W80 HydrophobicContact CG-CE3 4.16Å; F55-W80 HydrophobicContact CG-CZ3 4.47Å; F55-W80 HydrophobicContact CZ-CZ3 4.49Å; L76-W80 WeakPolarHBondContact O-CB 3.5Å; L76-W80 PolarHBondContact O-N 3.34Å; W80-L95 HydrophobicContact CH2-CD2 3.73Å; W80-L95 HydrophobicContact CZ3-CD2 3.96Å; W80-E98 HydrophobicContact CZ2-CB 4.43Å; W80-E98 HydrophobicContact CZ2-CG 4.44Å
81	L	78.2	Confident	76.2	Confident	22 Å²	22	76.6 Å²	76.6	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-84.8	-14	-172.1	-59.4	173.3	0	0	0	113.5	C77 H86 I91 L95	C77-L81 VanDerWaalsContact O-CB 3.25Å; C77-L81 WeakPolarHBondContact O-CB 3.35Å; C77-L81 WeakPolarHBondContact O-CG 3.48Å; C77-L81 PolarHBondContact O-N 2.97Å; L81-H86 PolarHBondContact O-ND1 3.48Å; L81-I91 HydrophobicContact CB-CG2 4.43Å; L81-I91 HydrophobicContact CD1-CG2 4.2Å; L81-L95 HydrophobicContact CD1-CD2 4.33Å; L81-L95 HydrophobicContact CD2-CD2 4.05Å; L81-L95 HydrophobicContact CD2-CG 4.21Å
82	R	78.2	Confident	76.2	Confident	90 Å²	90	76.9 Å²	76.9	34%	0.34	37%	0.371	S	S	.	.			trans	41.3	63.9	177	-60.2	-153.1	64.6	170.1	-1.4	114.6	K78 Q79 D84 I85 H86	K78-R82 VanDerWaalsContact O-CA 3.25Å; K78-R82 WeakPolarHBondContact O-CA 3.36Å; K78-R82 PolarHBondContact O-N 3.21Å; Q79-R82 VanDerWaalsContact O-CG 3.29Å; Q79-R82 WeakPolarHBondContact O-CG 3.48Å; R82-D84 WeakPolarHBondContact CA-OD1 3.48Å; R82-D84 WeakPolarHBondContact CB-OD1 3.35Å; R82-D84 IonicContact CZ-OD2 2.77Å; R82-D84 IonicContact NE-OD1 2.81Å; R82-D84 IonicContact NE-OD2 3.76Å; R82-D84 PolarHBondContact NE-OD2 3.39Å; R82-D84 IonicContact NH2-OD2 3.39Å; R82-D84 PolarHBondContact NH2-OD2 2.78Å; R82-D84 PolarHBondContact O-N 2.85Å; R82-D84 VanDerWaalsContact O-N 3.11Å; R82-I85 PolarHBondContact O-N 3.42Å; R82-H86 PolarHBondContact O-N 3.21Å; R82-H86 PolarHBondContact O-ND1 3.34Å
83	P	73.9	Confident	76.4	Confident	78 Å²	78	78.7 Å²	78.7	51%	0.506	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-3	179	32.5	-37.2	0	0	0	113.8	I85 I91	P83-I85 VanDerWaalsContact C-N 3.33Å; P83-I91 HydrophobicContact CB-CD1 3.99Å
84	D	75.6	Confident	76.4	Confident	103 Å²	103	78.6 Å²	78.6	55%	0.551	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.7	164.3	52.2	-52.3	0	0	0	113.4	R82	R82-D84 WeakPolarHBondContact CA-OD1 3.48Å; R82-D84 WeakPolarHBondContact CB-OD1 3.35Å; R82-D84 IonicContact CZ-OD2 2.77Å; R82-D84 IonicContact NE-OD1 2.81Å; R82-D84 IonicContact NE-OD2 3.76Å; R82-D84 PolarHBondContact NE-OD2 3.39Å; R82-D84 IonicContact NH2-OD2 3.39Å; R82-D84 PolarHBondContact NH2-OD2 2.78Å; R82-D84 PolarHBondContact O-N 2.85Å; R82-D84 VanDerWaalsContact O-N 3.11Å
85	I	69.3	Low	76.5	Confident	109 Å²	109	74.3 Å²	74.3	56%	0.559	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-41.8	-174.7	-61.1	176.5	0	0	0	111.7	R82 P83	R82-I85 PolarHBondContact O-N 3.42Å; P83-I85 VanDerWaalsContact C-N 3.33Å
86	H	77.1	Confident	76.4	Confident	59 Å²	59	75.3 Å²	75.3	27%	0.273	38%	0.378	S	S	.	.	S	Bend	trans	-86.8	140.5	-174.2	-61.7	121.7	0	0	0	113.4	L81 R82 Q90 I91	L81-H86 PolarHBondContact O-ND1 3.48Å; R82-H86 PolarHBondContact O-N 3.21Å; R82-H86 PolarHBondContact O-ND1 3.34Å; H86-Q90 HydrophobicContact CB-CB 4.05Å; H86-I91 HydrophobicContact CB-CD1 4.32Å; H86-I91 HydrophobicContact CB-CG1 3.75Å
87	T	78.9	Confident	76.4	Confident	68 Å²	68	75.3 Å²	75.3	42%	0.417	38%	0.377	S	S	.	.			trans	-70.6	166.5	168.7	85.7	0	0	0	0	111.4	E89 Q90 I91	T87-E89 WeakPolarHBondContact CB-OE2 3.44Å; T87-E89 PolarHBondContact O-N 2.93Å; T87-E89 PolarHBondContact OG1-N 3.3Å; T87-E89 PolarHBondContact OG1-OE2 3.11Å; T87-Q90 PolarHBondContact O-N 2.99Å; T87-Q90 VanDerWaalsContact O-N 3.16Å; T87-Q90 PolarHBondContact OG1-N 3.45Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 2.97Å
88	K	71.9	Confident	76.5	Confident	163 Å²	163	74.4 Å²	74.4	71%	0.709	37%	0.368	S	S	*	.	H	α-helix	trans	-61.6	-33.2	179.3	-67.5	-176.9	177.3	-177.7	0	112.3	L92	K88-L92 WeakPolarHBondContact O-CB 3.46Å; K88-L92 VanDerWaalsContact O-CG 3.26Å; K88-L92 WeakPolarHBondContact O-CG 3.39Å; K88-L92 PolarHBondContact O-N 3.17Å
89	E	72.9	Confident	76.5	Confident	126 Å²	126	75.8 Å²	75.8	59%	0.589	38%	0.376	S	S	*	.	H	α-helix	trans	-68.4	-45	176.5	-57.2	68.9	-149.9	0	0	110.4	T87 L92 E93	T87-E89 WeakPolarHBondContact CB-OE2 3.44Å; T87-E89 PolarHBondContact O-N 2.93Å; T87-E89 PolarHBondContact OG1-N 3.3Å; T87-E89 PolarHBondContact OG1-OE2 3.11Å; E89-L92 PolarHBondContact O-N 2.97Å; E89-E93 PolarHBondContact O-N 3.13Å
90	Q	70.3	Confident	76.4	Confident	93 Å²	93	75 Å²	75	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-40.4	176.2	-68.3	172.9	-37.3	0	0	112.5	H86 T87 L92 E93 L94	H86-Q90 HydrophobicContact CB-CB 4.05Å; T87-Q90 PolarHBondContact O-N 2.99Å; T87-Q90 VanDerWaalsContact O-N 3.16Å; T87-Q90 PolarHBondContact OG1-N 3.45Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 3.42Å; Q90-E93 PolarHBondContact O-N 3.17Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 3.41Å
91	I	79.1	Confident	76.1	Confident	31 Å²	31	74.5 Å²	74.5	16%	0.159	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-40.2	173.7	-67.1	161.2	0	0	0	110.9	L81 P83 H86 T87 L94 L95	L81-I91 HydrophobicContact CB-CG2 4.43Å; L81-I91 HydrophobicContact CD1-CG2 4.2Å; P83-I91 HydrophobicContact CB-CD1 3.99Å; H86-I91 HydrophobicContact CB-CD1 4.32Å; H86-I91 HydrophobicContact CB-CG1 3.75Å; T87-I91 WeakPolarHBondContact O-CG1 3.38Å; T87-I91 PolarHBondContact O-N 2.97Å; I91-L94 PolarHBondContact O-N 3.34Å; I91-L95 HydrophobicContact CG2-CD1 4.08Å; I91-L95 VanDerWaalsContact O-CG 3.3Å; I91-L95 WeakPolarHBondContact O-CG 3.45Å; I91-L95 PolarHBondContact O-N 2.8Å; I91-L95 VanDerWaalsContact O-N 3.14Å
92	L	76.2	Confident	75.9	Confident	107 Å²	107	78.2 Å²	78.2	56%	0.56	38%	0.383	S	S	*	.	H	α-helix	trans	-65.8	-41.5	175.5	-74.9	168.7	0	0	0	111.9	K88 E89 Q90 L95 V96	K88-L92 WeakPolarHBondContact O-CB 3.46Å; K88-L92 VanDerWaalsContact O-CG 3.26Å; K88-L92 WeakPolarHBondContact O-CG 3.39Å; K88-L92 PolarHBondContact O-N 3.17Å; E89-L92 PolarHBondContact O-N 2.97Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 3.42Å; L92-L95 PolarHBondContact O-N 2.97Å; L92-V96 WeakPolarHBondContact O-CB 3.44Å; L92-V96 VanDerWaalsContact O-CG2 3.25Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 3.32Å
93	E	81	Confident	75.7	Confident	97 Å²	97	79 Å²	79	45%	0.453	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-43.2	174.6	-73.5	-56.9	146.4	0	0	112.5	E89 Q90 L95 V96 F97 S120	E89-E93 PolarHBondContact O-N 3.13Å; Q90-E93 PolarHBondContact O-N 3.17Å; E93-L95 VanDerWaalsContact C-N 3.3Å; E93-L95 PolarHBondContact O-N 3.03Å; E93-V96 PolarHBondContact O-N 3.19Å; E93-F97 WeakPolarHBondContact O-CB 3.36Å; E93-F97 PolarHBondContact O-N 3.21Å; E93-S120 WeakPolarHBondContact OE2-CB 3.34Å; E93-S120 PolarHBondContact OE2-OG 3.39Å
94	L	76.8	Confident	75.4	Confident	55 Å²	55	76 Å²	76	29%	0.288	38%	0.378	S	S	.	.	H	α-helix	trans	-59.5	-39.2	175.6	-71.6	170.7	0	0	0	112.6	Q90 I91 E98	Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 3.41Å; I91-L94 PolarHBondContact O-N 3.34Å; L94-E98 PolarHBondContact O-N 2.84Å; L94-E98 VanDerWaalsContact O-N 3.17Å
95	L	79.3	Confident	75.2	Confident	69 Å²	69	74.9 Å²	74.9	36%	0.361	38%	0.376	S	S	.	.	H	α-helix	trans	-72.2	-43.5	176.6	-69.7	169.1	0	0	0	112.3	W80 L81 I91 L92 E93 F97 E98 Q99	W80-L95 HydrophobicContact CH2-CD2 3.73Å; W80-L95 HydrophobicContact CZ3-CD2 3.96Å; L81-L95 HydrophobicContact CD1-CD2 4.33Å; L81-L95 HydrophobicContact CD2-CD2 4.05Å; L81-L95 HydrophobicContact CD2-CG 4.21Å; I91-L95 HydrophobicContact CG2-CD1 4.08Å; I91-L95 VanDerWaalsContact O-CG 3.3Å; I91-L95 WeakPolarHBondContact O-CG 3.45Å; I91-L95 PolarHBondContact O-N 2.8Å; I91-L95 VanDerWaalsContact O-N 3.14Å; L92-L95 PolarHBondContact O-N 2.97Å; E93-L95 VanDerWaalsContact C-N 3.3Å; E93-L95 PolarHBondContact O-N 3.03Å; L95-F97 VanDerWaalsContact C-N 3.33Å; L95-E98 PolarHBondContact O-N 3.11Å; L95-Q99 WeakPolarHBondContact O-CB 3.5Å; L95-Q99 PolarHBondContact O-N 3.27Å
96	V	77.6	Confident	75.1	Confident	79 Å²	79	72 Å²	72	48%	0.479	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-40.2	176.5	167	0	0	0	0	110.8	L92 E93 Q99 F100	L92-V96 WeakPolarHBondContact O-CB 3.44Å; L92-V96 VanDerWaalsContact O-CG2 3.25Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 3.32Å; E93-V96 PolarHBondContact O-N 3.19Å; V96-Q99 PolarHBondContact O-N 3.46Å; V96-F100 WeakPolarHBondContact O-CB 3.42Å; V96-F100 PolarHBondContact O-N 3.31Å
97	F	78.1	Confident	74.7	Confident	24 Å²	24	77.3 Å²	77.3	11%	0.105	40%	0.398	C	S	.	.	H	α-helix	trans	-66.1	-43.8	177.6	179	-145.9	0	0	0	112.6	E93 L95 Q99 F100 L101 P117 A123	E93-F97 WeakPolarHBondContact O-CB 3.36Å; E93-F97 PolarHBondContact O-N 3.21Å; L95-F97 VanDerWaalsContact C-N 3.33Å; F97-Q99 VanDerWaalsContact C-N 3.31Å; F97-Q99 PolarHBondContact O-N 3.09Å; F97-F100 PolarHBondContact O-N 3.37Å; F97-L101 HydrophobicContact CD2-CD1 4.06Å; F97-L101 HydrophobicContact CD2-CG 3.98Å; F97-L101 HydrophobicContact CE1-CD1 4.47Å; F97-L101 HydrophobicContact CE2-CD1 3.57Å; F97-L101 HydrophobicContact CE2-CD2 3.98Å; F97-L101 HydrophobicContact CE2-CG 3.69Å; F97-L101 HydrophobicContact CZ-CD1 3.81Å; F97-L101 HydrophobicContact CZ-CG 4.42Å; F97-L101 WeakPolarHBondContact O-CG 3.38Å; F97-L101 PolarHBondContact O-N 2.84Å; F97-P117 HydrophobicContact CE2-CG 4.39Å; F97-P117 HydrophobicContact CZ-CG 4.12Å; F97-P117 VanDerWaalsContact CZ-O 3.25Å; F97-P117 WeakPolarHBondContact CZ-O 3.49Å; F97-A123 HydrophobicContact CD2-CB 4.18Å; F97-A123 HydrophobicContact CE2-CB 3.57Å; F97-A123 HydrophobicContact CZ-CB 4.49Å
98	E	77.3	Confident	74.3	Confident	17 Å²	17	76.1 Å²	76.1	8%	0.079	39%	0.388	C	S	.	.	H	α-helix	trans	-62.7	-39.7	173.8	-159.3	-80.1	154.1	0	0	111.6	R56 W80 L94 L95 R102	R56-E98 IonicContact CZ-OE1 2.71Å; R56-E98 IonicContact NH1-OE1 3.09Å; R56-E98 PolarHBondContact NH1-OE1 3.36Å; W80-E98 HydrophobicContact CZ2-CB 4.43Å; W80-E98 HydrophobicContact CZ2-CG 4.44Å; L94-E98 PolarHBondContact O-N 2.84Å; L94-E98 VanDerWaalsContact O-N 3.17Å; L95-E98 PolarHBondContact O-N 3.11Å; E98-R102 VanDerWaalsContact CD-NH1 3.25Å; E98-R102 WeakPolarHBondContact O-CB 3.2Å; E98-R102 PolarHBondContact O-N 2.75Å; E98-R102 IonicContact OE1-CZ 3.32Å; E98-R102 IonicContact OE1-NE 2.75Å; E98-R102 IonicContact OE1-NH1 3.62Å; E98-R102 PolarHBondContact OE1-NH1 3.2Å; E98-R102 VanDerWaalsContact OE1-NH1 3.09Å; E98-R102 WeakPolarHBondContact OE2-CD 3.43Å; E98-R102 IonicContact OE2-CZ 2.77Å; E98-R102 IonicContact OE2-NE 3.62Å; E98-R102 IonicContact OE2-NH1 3.52Å; E98-R102 PolarHBondContact OE2-NH1 3.08Å
99	Q	78.6	Confident	74.3	Confident	107 Å²	107	72 Å²	72	50%	0.5	37%	0.368	S	S	.	.	H	α-helix	trans	-69.5	-34.6	176.5	-174.4	55.5	90	0	0	112.8	L95 V96 F97 R102 V103	L95-Q99 WeakPolarHBondContact O-CB 3.5Å; L95-Q99 PolarHBondContact O-N 3.27Å; V96-Q99 PolarHBondContact O-N 3.46Å; F97-Q99 VanDerWaalsContact C-N 3.31Å; F97-Q99 PolarHBondContact O-N 3.09Å; Q99-R102 WeakPolarHBondContact O-CB 3.41Å; Q99-R102 PolarHBondContact O-N 3.23Å; Q99-V103 WeakPolarHBondContact O-CG2 3.31Å; Q99-V103 PolarHBondContact O-N 3.47Å
100	F	74.5	Confident	74.2	Confident	56 Å²	56	71.9 Å²	71.9	25%	0.246	37%	0.37	C	S	.	.	H	α-helix	trans	-65.1	-51.7	174.2	177	-107.2	0	0	0	111.2	V96 F97 R102 V103 L104 A123 V124 V127	V96-F100 WeakPolarHBondContact O-CB 3.42Å; V96-F100 PolarHBondContact O-N 3.31Å; F97-F100 PolarHBondContact O-N 3.37Å; F100-R102 PolarHBondContact O-N 3.07Å; F100-V103 PolarHBondContact O-N 3.17Å; F100-L104 HydrophobicContact CD1-CD1 4.41Å; F100-L104 HydrophobicContact CE1-CD1 3.94Å; F100-L104 HydrophobicContact CE1-CD2 4.33Å; F100-L104 HydrophobicContact CE1-CG 4.3Å; F100-L104 HydrophobicContact CE2-CD2 4.28Å; F100-L104 HydrophobicContact CZ-CD1 4.35Å; F100-L104 HydrophobicContact CZ-CD2 3.91Å; F100-L104 HydrophobicContact CZ-CG 4.35Å; F100-L104 PolarHBondContact O-N 3.49Å; F100-A123 HydrophobicContact CD1-CB 4.21Å; F100-A123 HydrophobicContact CE1-CB 3.96Å; F100-V124 HydrophobicContact CD2-CG2 4.49Å; F100-V124 HydrophobicContact CE1-CG2 3.99Å; F100-V124 HydrophobicContact CE2-CG2 3.79Å; F100-V124 HydrophobicContact CZ-CB 4.4Å; F100-V124 HydrophobicContact CZ-CG2 3.51Å; F100-V127 HydrophobicContact CZ-CG2 4.36Å
101	L	72.6	Confident	74.6	Confident	12 Å²	12	71.6 Å²	71.6	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-29.8	174.7	-67.6	177.8	0	0	0	112.5	F97 V103 L104 R109 V112	F97-L101 HydrophobicContact CD2-CD1 4.06Å; F97-L101 HydrophobicContact CD2-CG 3.98Å; F97-L101 HydrophobicContact CE1-CD1 4.47Å; F97-L101 HydrophobicContact CE2-CD1 3.57Å; F97-L101 HydrophobicContact CE2-CD2 3.98Å; F97-L101 HydrophobicContact CE2-CG 3.69Å; F97-L101 HydrophobicContact CZ-CD1 3.81Å; F97-L101 HydrophobicContact CZ-CG 4.42Å; F97-L101 WeakPolarHBondContact O-CG 3.38Å; F97-L101 PolarHBondContact O-N 2.84Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.35Å; L101-L104 HydrophobicContact CD2-CD1 4.16Å; L101-R109 VanDerWaalsContact O-CD 3.29Å; L101-R109 WeakPolarHBondContact O-CD 3.37Å; L101-R109 VanDerWaalsContact O-CG 3.32Å; L101-R109 WeakPolarHBondContact O-CG 3.44Å; L101-R109 PolarHBondContact O-NE 3Å; L101-V112 HydrophobicContact CD2-CG1 3.76Å
102	R	73.6	Confident	74.3	Confident	99 Å²	99	70.1 Å²	70.1	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-23	172.7	-93.3	-179.8	148.5	136.6	-9.9	114.4	E98 Q99 F100 R109	E98-R102 VanDerWaalsContact CD-NH1 3.25Å; E98-R102 WeakPolarHBondContact O-CB 3.2Å; E98-R102 PolarHBondContact O-N 2.75Å; E98-R102 IonicContact OE1-CZ 3.32Å; E98-R102 IonicContact OE1-NE 2.75Å; E98-R102 IonicContact OE1-NH1 3.62Å; E98-R102 PolarHBondContact OE1-NH1 3.2Å; E98-R102 VanDerWaalsContact OE1-NH1 3.09Å; E98-R102 WeakPolarHBondContact OE2-CD 3.43Å; E98-R102 IonicContact OE2-CZ 2.77Å; E98-R102 IonicContact OE2-NE 3.62Å; E98-R102 IonicContact OE2-NH1 3.52Å; E98-R102 PolarHBondContact OE2-NH1 3.08Å; Q99-R102 WeakPolarHBondContact O-CB 3.41Å; Q99-R102 PolarHBondContact O-N 3.23Å; F100-R102 PolarHBondContact O-N 3.07Å; R102-R109 PolarHBondContact O-NH2 3.23Å
103	V	74.5	Confident	74.2	Confident	108 Å²	108	70 Å²	70	66%	0.655	35%	0.352	S	S	*	.	H	α-helix	trans	-92.1	-31.6	-177.4	171	0	0	0	0	112.5	Q99 F100 L101	Q99-V103 WeakPolarHBondContact O-CG2 3.31Å; Q99-V103 PolarHBondContact O-N 3.47Å; F100-V103 PolarHBondContact O-N 3.17Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.35Å
104	L	68.7	Low	73.9	Confident	15 Å²	15	68.5 Å²	68.5	8%	0.079	35%	0.352	C	S	.	.	S	Bend	trans	-56.2	142	178.7	-66	178.2	0	0	0	112.7	F100 L101 R109 V112 V127	F100-L104 HydrophobicContact CD1-CD1 4.41Å; F100-L104 HydrophobicContact CE1-CD1 3.94Å; F100-L104 HydrophobicContact CE1-CD2 4.33Å; F100-L104 HydrophobicContact CE1-CG 4.3Å; F100-L104 HydrophobicContact CE2-CD2 4.28Å; F100-L104 HydrophobicContact CZ-CD1 4.35Å; F100-L104 HydrophobicContact CZ-CD2 3.91Å; F100-L104 HydrophobicContact CZ-CG 4.35Å; F100-L104 PolarHBondContact O-N 3.49Å; L101-L104 HydrophobicContact CD2-CD1 4.16Å; L104-R109 HydrophobicContact CB-CB 4.06Å; L104-R109 VanDerWaalsContact O-CZ 3.31Å; L104-R109 PolarHBondContact O-NE 3.26Å; L104-R109 VanDerWaalsContact O-NE 3.07Å; L104-R109 PolarHBondContact O-NH2 3.23Å; L104-V112 HydrophobicContact CD1-CB 4.29Å; L104-V112 HydrophobicContact CD1-CG1 4.39Å; L104-V112 HydrophobicContact CD1-CG2 4.01Å; L104-V127 HydrophobicContact CD1-CG2 3.85Å; L104-V127 HydrophobicContact CD2-CG1 4.2Å; L104-V127 HydrophobicContact CD2-CG2 3.83Å
105	P	70.8	Confident	73.8	Confident	79 Å²	79	70.4 Å²	70.4	51%	0.513	36%	0.36	S	S	.	.			trans	-51.8	156.3	171.5	-27.7	36.3	0	0	0	113.1	E107 M108 R109	P105-E107 PolarHBondContact O-N 3.44Å; P105-M108 HydrophobicContact CB-CB 4.43Å; P105-M108 HydrophobicContact CB-CG 4.44Å; P105-M108 HydrophobicContact CB-SD 4.22Å; P105-M108 HydrophobicContact CG-SD 3.78Å; P105-M108 PolarHBondContact O-N 3.22Å; P105-R109 WeakPolarHBondContact O-CB 3.47Å; P105-R109 PolarHBondContact O-N 3.1Å
106	G	67.9	Low	73.4	Confident	47 Å²	47	74.5 Å²	74.5	49%	0.485	38%	0.377	S	S	.	.	H	α-helix	trans	-54	-51.9	-170.5	0	0	0	0	0	114.2	R109 I110	G106-R109 WeakPolarHBondContact O-CB 3.21Å; G106-R109 PolarHBondContact O-N 3.41Å; G106-I110 WeakPolarHBondContact O-CD1 3.47Å; G106-I110 VanDerWaalsContact O-CG1 3.3Å; G106-I110 WeakPolarHBondContact O-CG1 3.47Å; G106-I110 PolarHBondContact O-N 3.33Å; G106-I110 VanDerWaalsContact O-N 3.08Å
107	E	68	Low	73.1	Confident	172 Å²	172	71.3 Å²	71.3	80%	0.804	36%	0.358	S	S	*	.	H	α-helix	trans	-66.2	-49.9	-179.5	-68.4	159.2	-160.1	0	0	111.9	P105 R109 I110 W111	P105-E107 PolarHBondContact O-N 3.44Å; E107-R109 VanDerWaalsContact C-N 3.26Å; E107-R109 PolarHBondContact O-N 2.92Å; E107-I110 PolarHBondContact O-N 3.12Å; E107-I110 VanDerWaalsContact O-N 3.08Å; E107-W111 PolarHBondContact O-N 3.12Å
108	M	70.3	Confident	72.5	Confident	43 Å²	43	78.7 Å²	78.7	21%	0.212	39%	0.393	C	S	.	.	H	α-helix	trans	-55.7	-41.2	175.1	-68	177.7	165.4	0	0	111.9	P105 W111 V112 L130 N131 L134	P105-M108 HydrophobicContact CB-CB 4.43Å; P105-M108 HydrophobicContact CB-CG 4.44Å; P105-M108 HydrophobicContact CB-SD 4.22Å; P105-M108 HydrophobicContact CG-SD 3.78Å; P105-M108 PolarHBondContact O-N 3.22Å; M108-W111 PolarHBondContact O-N 3.33Å; M108-V112 WeakPolarHBondContact O-CB 3.48Å; M108-V112 VanDerWaalsContact O-CG2 3.24Å; M108-V112 WeakPolarHBondContact O-CG2 3.5Å; M108-V112 PolarHBondContact O-N 3.07Å; M108-L130 HydrophobicContact CB-CD2 4.43Å; M108-L130 HydrophobicContact CG-CD2 3.94Å; M108-N131 VanDerWaalsContact CE-OD1 3.22Å; M108-N131 WeakPolarHBondContact CE-OD1 3.46Å; M108-L134 HydrophobicContact CE-CD1 4.43Å
109	R	73.1	Confident	72.4	Confident	77 Å²	77	80.1 Å²	80.1	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-65.5	-37.8	177.3	-177.8	-168.6	-50.1	-167.1	-7.4	112.7	L101 R102 L104 P105 G106 E107 K113	L101-R109 VanDerWaalsContact O-CD 3.29Å; L101-R109 WeakPolarHBondContact O-CD 3.37Å; L101-R109 VanDerWaalsContact O-CG 3.32Å; L101-R109 WeakPolarHBondContact O-CG 3.44Å; L101-R109 PolarHBondContact O-NE 3Å; R102-R109 PolarHBondContact O-NH2 3.23Å; L104-R109 HydrophobicContact CB-CB 4.06Å; L104-R109 VanDerWaalsContact O-CZ 3.31Å; L104-R109 PolarHBondContact O-NE 3.26Å; L104-R109 VanDerWaalsContact O-NE 3.07Å; L104-R109 PolarHBondContact O-NH2 3.23Å; P105-R109 WeakPolarHBondContact O-CB 3.47Å; P105-R109 PolarHBondContact O-N 3.1Å; G106-R109 WeakPolarHBondContact O-CB 3.21Å; G106-R109 PolarHBondContact O-N 3.41Å; E107-R109 VanDerWaalsContact C-N 3.26Å; E107-R109 PolarHBondContact O-N 2.92Å; R109-K113 VanDerWaalsContact O-CB 3.3Å; R109-K113 WeakPolarHBondContact O-CB 3.32Å; R109-K113 VanDerWaalsContact O-CG 3.29Å; R109-K113 WeakPolarHBondContact O-CG 3.26Å; R109-K113 PolarHBondContact O-N 3.18Å; R109-K113 VanDerWaalsContact O-N 3.14Å
110	I	70	Confident	72.1	Confident	123 Å²	123	75.9 Å²	75.9	63%	0.631	39%	0.386	S	S	*	.	H	α-helix	trans	-68.7	-44.9	176.1	-69.6	162.8	0	0	0	109.6	G106 E107 K113 S114	G106-I110 WeakPolarHBondContact O-CD1 3.47Å; G106-I110 VanDerWaalsContact O-CG1 3.3Å; G106-I110 WeakPolarHBondContact O-CG1 3.47Å; G106-I110 PolarHBondContact O-N 3.33Å; G106-I110 VanDerWaalsContact O-N 3.08Å; E107-I110 PolarHBondContact O-N 3.12Å; E107-I110 VanDerWaalsContact O-N 3.08Å; I110-K113 PolarHBondContact O-N 2.87Å; I110-S114 PolarHBondContact O-N 2.83Å
111	W	77.4	Confident	72.1	Confident	87 Å²	87	78.4 Å²	78.4	33%	0.33	41%	0.406	S	S	.	.	H	α-helix	trans	-65.4	-48.7	178.3	-178.3	90.1	0	0	0	112.5	E107 M108 K113 S114 Q115 L126 L130	E107-W111 PolarHBondContact O-N 3.12Å; M108-W111 PolarHBondContact O-N 3.33Å; W111-K113 PolarHBondContact O-N 3.12Å; W111-S114 PolarHBondContact O-N 3.16Å; W111-S114 PolarHBondContact O-OG 3.49Å; W111-Q115 HydrophobicContact CD2-CG 4.4Å; W111-Q115 HydrophobicContact CE3-CG 4.48Å; W111-Q115 HydrophobicContact CH2-CG 4.22Å; W111-Q115 HydrophobicContact CZ2-CG 4.11Å; W111-Q115 HydrophobicContact CZ3-CG 4.4Å; W111-Q115 PolarHBondContact O-N 2.99Å; W111-L126 HydrophobicContact CH2-CB 4.26Å; W111-L126 HydrophobicContact CH2-CD2 4.18Å; W111-L126 WeakPolarHBondContact CH2-O 3.33Å; W111-L126 HydrophobicContact CZ3-CB 3.91Å; W111-L126 WeakPolarHBondContact CZ3-O 3.46Å; W111-L130 HydrophobicContact CD2-CD1 4.3Å; W111-L130 HydrophobicContact CD2-CD2 4.11Å; W111-L130 HydrophobicContact CE3-CB 4.34Å; W111-L130 HydrophobicContact CE3-CD1 4.45Å; W111-L130 HydrophobicContact CE3-CD2 3.72Å; W111-L130 HydrophobicContact CE3-CG 4.39Å; W111-L130 HydrophobicContact CH2-CB 4.09Å; W111-L130 HydrophobicContact CZ2-CD1 4.37Å; W111-L130 HydrophobicContact CZ3-CB 3.87Å; W111-L130 HydrophobicContact CZ3-CD2 4.11Å; W111-L130 HydrophobicContact CZ3-CG 4.4Å
112	V	74.4	Confident	72.4	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-58.7	-38.1	175.5	172.5	0	0	0	0	110.9	L101 L104 M108 Q115 P117 A123 V127	L101-V112 HydrophobicContact CD2-CG1 3.76Å; L104-V112 HydrophobicContact CD1-CB 4.29Å; L104-V112 HydrophobicContact CD1-CG1 4.39Å; L104-V112 HydrophobicContact CD1-CG2 4.01Å; M108-V112 WeakPolarHBondContact O-CB 3.48Å; M108-V112 VanDerWaalsContact O-CG2 3.24Å; M108-V112 WeakPolarHBondContact O-CG2 3.5Å; M108-V112 PolarHBondContact O-N 3.07Å; V112-Q115 PolarHBondContact O-N 3.25Å; V112-P117 HydrophobicContact CG1-CG 3.94Å; V112-P117 WeakPolarHBondContact O-CD 3.3Å; V112-A123 HydrophobicContact CG1-CB 4Å; V112-V127 HydrophobicContact CG2-CG2 3.45Å; V112-V127 VanDerWaalsContact CG2-CG2 3.45Å
113	K	73.6	Confident	72.5	Confident	104 Å²	104	77.2 Å²	77.2	45%	0.452	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-34.2	174.4	-83.7	-174.3	162.9	-142.8	0	113.6	R109 I110 W111 Q115 H116	R109-K113 VanDerWaalsContact O-CB 3.3Å; R109-K113 WeakPolarHBondContact O-CB 3.32Å; R109-K113 VanDerWaalsContact O-CG 3.29Å; R109-K113 WeakPolarHBondContact O-CG 3.26Å; R109-K113 PolarHBondContact O-N 3.18Å; R109-K113 VanDerWaalsContact O-N 3.14Å; I110-K113 PolarHBondContact O-N 2.87Å; W111-K113 PolarHBondContact O-N 3.12Å; K113-Q115 PolarHBondContact O-N 2.88Å; K113-H116 PolarHBondContact O-N 2.78Å
114	S	73.9	Confident	72.6	Confident	65 Å²	65	74.5 Å²	74.5	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-73.5	-16.5	178.2	74.9	0	0	0	0	113.4	I110 W111 H116	I110-S114 PolarHBondContact O-N 2.83Å; W111-S114 PolarHBondContact O-N 3.16Å; W111-S114 PolarHBondContact O-OG 3.49Å; S114-H116 VanDerWaalsContact C-N 3.32Å; S114-H116 PolarHBondContact O-CD2 3.13Å; S114-H116 VanDerWaalsContact O-CD2 3.3Å
115	Q	74.6	Confident	73.2	Confident	95 Å²	95	76.4 Å²	76.4	44%	0.444	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.1	171.7	-54.9	-45.4	-77.9	0	0	113.3	W111 V112 K113 P117 L126	W111-Q115 HydrophobicContact CD2-CG 4.4Å; W111-Q115 HydrophobicContact CE3-CG 4.48Å; W111-Q115 HydrophobicContact CH2-CG 4.22Å; W111-Q115 HydrophobicContact CZ2-CG 4.11Å; W111-Q115 HydrophobicContact CZ3-CG 4.4Å; W111-Q115 PolarHBondContact O-N 2.99Å; V112-Q115 PolarHBondContact O-N 3.25Å; K113-Q115 PolarHBondContact O-N 2.88Å; Q115-P117 VanDerWaalsContact C-CD 3.42Å; Q115-L126 HydrophobicContact CB-CD1 3.78Å; Q115-L126 HydrophobicContact CB-CD2 4.3Å; Q115-L126 HydrophobicContact CG-CD1 4.44Å; Q115-L126 HydrophobicContact CG-CD2 4.29Å
116	H	70.8	Confident	73.8	Confident	156 Å²	156	74.3 Å²	74.3	72%	0.722	39%	0.387	S	S	*	.			trans	49.3	44.5	176.3	-65.2	-86.3	0	0	0	117	K113 S114 E118	K113-H116 PolarHBondContact O-N 2.78Å; S114-H116 VanDerWaalsContact C-N 3.32Å; S114-H116 PolarHBondContact O-CD2 3.13Å; S114-H116 VanDerWaalsContact O-CD2 3.3Å; H116-E118 PolarHBondContact O-N 3.32Å
117	P	72.8	Confident	74.3	Confident	12 Å²	12	72.8 Å²	72.8	8%	0.078	37%	0.369	C	S	.	.			trans	-61.2	135.6	178.8	24.9	-33	0	0	0	112.3	F97 V112 Q115 E122 A123 L126	F97-P117 HydrophobicContact CE2-CG 4.39Å; F97-P117 HydrophobicContact CZ-CG 4.12Å; F97-P117 VanDerWaalsContact CZ-O 3.25Å; F97-P117 WeakPolarHBondContact CZ-O 3.49Å; V112-P117 HydrophobicContact CG1-CG 3.94Å; V112-P117 WeakPolarHBondContact O-CD 3.3Å; Q115-P117 VanDerWaalsContact C-CD 3.42Å; P117-E122 WeakPolarHBondContact CA-OE2 3.47Å; P117-E122 HydrophobicContact CB-CB 4.11Å; P117-E122 HydrophobicContact CB-CG 3.82Å; P117-A123 HydrophobicContact CB-CB 4.04Å; P117-A123 HydrophobicContact CG-CB 3.84Å; P117-L126 HydrophobicContact CB-CD1 3.92Å; P117-L126 HydrophobicContact CG-CD1 4Å
118	E	65.9	Low	74.9	Confident	179 Å²	179	70.5 Å²	70.5	84%	0.836	36%	0.358	S	S	*	.	S	Bend	trans	-84.9	-14.5	179.4	-61	-167.3	158.5	0	0	112.2	H116 E122	H116-E118 PolarHBondContact O-N 3.32Å; E118-E122 PolarHBondContact N-OE2 2.79Å
119	S	73.3	Confident	75.4	Confident	47 Å²	47	72.4 Å²	72.4	33%	0.329	37%	0.369	S	S	.	.	S	Bend	trans	-137.2	159.3	-176.2	71.9	0	0	0	0	115.2	V121 E122 A123	S119-V121 VanDerWaalsContact C-N 3.29Å; S119-V121 PolarHBondContact O-N 3Å; S119-E122 PolarHBondContact N-OE2 3.35Å; S119-E122 WeakPolarHBondContact OG-CB 3.33Å; S119-E122 PolarHBondContact OG-N 3.48Å; S119-E122 VanDerWaalsContact OG-N 3.14Å; S119-A123 WeakPolarHBondContact O-CB 3.3Å; S119-A123 PolarHBondContact O-N 3.48Å; S119-A123 VanDerWaalsContact O-N 3.07Å
120	S	73.6	Confident	75.6	Confident	17 Å²	17	70.1 Å²	70.1	12%	0.119	36%	0.362	C	S	.	.	H	α-helix	trans	-56.8	-40.7	170.9	56.6	0	0	0	0	112.6	E93 V124	E93-S120 WeakPolarHBondContact OE2-CB 3.34Å; E93-S120 PolarHBondContact OE2-OG 3.39Å; S120-V124 WeakPolarHBondContact O-CG2 3.44Å; S120-V124 PolarHBondContact O-N 3.13Å; S120-V124 VanDerWaalsContact O-N 3.09Å
121	V	75.3	Confident	75.8	Confident	110 Å²	110	67.1 Å²	67.1	67%	0.667	35%	0.347	S	S	*	.	H	α-helix	trans	-69.8	-44.1	-177.8	179.8	0	0	0	0	111.6	S119 V124 S125	S119-V121 VanDerWaalsContact C-N 3.29Å; S119-V121 PolarHBondContact O-N 3Å; V121-V124 WeakPolarHBondContact O-CB 3.24Å; V121-V124 PolarHBondContact O-N 3.26Å; V121-S125 PolarHBondContact O-N 3.03Å
122	E	77.8	Confident	75.6	Confident	85 Å²	85	68.1 Å²	68.1	40%	0.397	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-42.7	176.6	-175.4	179.1	-153.4	0	0	111.5	P117 E118 S119 V124 S125 L126	P117-E122 WeakPolarHBondContact CA-OE2 3.47Å; P117-E122 HydrophobicContact CB-CB 4.11Å; P117-E122 HydrophobicContact CB-CG 3.82Å; E118-E122 PolarHBondContact N-OE2 2.79Å; S119-E122 PolarHBondContact N-OE2 3.35Å; S119-E122 WeakPolarHBondContact OG-CB 3.33Å; S119-E122 PolarHBondContact OG-N 3.48Å; S119-E122 VanDerWaalsContact OG-N 3.14Å; E122-V124 PolarHBondContact O-N 2.56Å; E122-S125 PolarHBondContact O-N 3.33Å; E122-L126 HydrophobicContact CG-CD1 4.48Å; E122-L126 WeakPolarHBondContact O-CG 3.5Å; E122-L126 PolarHBondContact O-N 3.47Å
123	A	75.7	Confident	75.5	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-25	173.9	0	0	0	0	0	113.6	F97 F100 V112 P117 S119 V127	F97-A123 HydrophobicContact CD2-CB 4.18Å; F97-A123 HydrophobicContact CE2-CB 3.57Å; F97-A123 HydrophobicContact CZ-CB 4.49Å; F100-A123 HydrophobicContact CD1-CB 4.21Å; F100-A123 HydrophobicContact CE1-CB 3.96Å; V112-A123 HydrophobicContact CG1-CB 4Å; P117-A123 HydrophobicContact CB-CB 4.04Å; P117-A123 HydrophobicContact CG-CB 3.84Å; S119-A123 WeakPolarHBondContact O-CB 3.3Å; S119-A123 PolarHBondContact O-N 3.48Å; S119-A123 VanDerWaalsContact O-N 3.07Å; A123-V127 VanDerWaalsContact O-CG2 3.27Å; A123-V127 WeakPolarHBondContact O-CG2 3.23Å
124	V	77.8	Confident	75.1	Confident	51 Å²	51	70 Å²	70	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-73.9	-48.9	170	167.2	0	0	0	0	110.6	F100 S120 V121 E122 L126 V127 E128	F100-V124 HydrophobicContact CD2-CG2 4.49Å; F100-V124 HydrophobicContact CE1-CG2 3.99Å; F100-V124 HydrophobicContact CE2-CG2 3.79Å; F100-V124 HydrophobicContact CZ-CB 4.4Å; F100-V124 HydrophobicContact CZ-CG2 3.51Å; S120-V124 WeakPolarHBondContact O-CG2 3.44Å; S120-V124 PolarHBondContact O-N 3.13Å; S120-V124 VanDerWaalsContact O-N 3.09Å; V121-V124 WeakPolarHBondContact O-CB 3.24Å; V121-V124 PolarHBondContact O-N 3.26Å; E122-V124 PolarHBondContact O-N 2.56Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.26Å; V124-V127 WeakPolarHBondContact O-CB 3.46Å; V124-V127 PolarHBondContact O-N 2.88Å; V124-E128 HydrophobicContact CG1-CG 4.3Å; V124-E128 PolarHBondContact O-N 2.93Å
125	S	81.3	Confident	74.9	Confident	56 Å²	56	73.1 Å²	73.1	39%	0.392	38%	0.38	S	S	.	.	H	α-helix	trans	-53.4	-49.7	177.7	-167.3	0	0	0	0	111.2	V121 E122 V127 E128 D129	V121-S125 PolarHBondContact O-N 3.03Å; E122-S125 PolarHBondContact O-N 3.33Å; S125-V127 PolarHBondContact O-N 2.73Å; S125-E128 WeakPolarHBondContact O-CA 3.41Å; S125-E128 PolarHBondContact O-N 3.17Å; S125-D129 WeakPolarHBondContact O-CB 3.39Å; S125-D129 VanDerWaalsContact O-CG 3.26Å; S125-D129 PolarHBondContact O-N 3.39Å; S125-D129 PolarHBondContact OG-OD2 3.3Å
126	L	82.1	Confident	74.4	Confident	34 Å²	34	72.2 Å²	72.2	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-56.2	-36.1	177.8	-71.8	169.2	0	0	0	113	W111 Q115 P117 E122 V124 L130	W111-L126 HydrophobicContact CH2-CB 4.26Å; W111-L126 HydrophobicContact CH2-CD2 4.18Å; W111-L126 WeakPolarHBondContact CH2-O 3.33Å; W111-L126 HydrophobicContact CZ3-CB 3.91Å; W111-L126 WeakPolarHBondContact CZ3-O 3.46Å; Q115-L126 HydrophobicContact CB-CD1 3.78Å; Q115-L126 HydrophobicContact CB-CD2 4.3Å; Q115-L126 HydrophobicContact CG-CD1 4.44Å; Q115-L126 HydrophobicContact CG-CD2 4.29Å; P117-L126 HydrophobicContact CB-CD1 3.92Å; P117-L126 HydrophobicContact CG-CD1 4Å; E122-L126 HydrophobicContact CG-CD1 4.48Å; E122-L126 WeakPolarHBondContact O-CG 3.5Å; E122-L126 PolarHBondContact O-N 3.47Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.26Å; L126-L130 VanDerWaalsContact O-CB 3.29Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 PolarHBondContact O-N 3.37Å
127	V	77.9	Confident	73.7	Confident	16 Å²	16	73.1 Å²	73.1	10%	0.097	37%	0.373	C	S	.	.	H	α-helix	trans	-74.1	-37	176.4	171.4	0	0	0	0	111.6	F100 L104 V112 A123 V124 S125 L130 N131	F100-V127 HydrophobicContact CZ-CG2 4.36Å; L104-V127 HydrophobicContact CD1-CG2 3.85Å; L104-V127 HydrophobicContact CD2-CG1 4.2Å; L104-V127 HydrophobicContact CD2-CG2 3.83Å; V112-V127 HydrophobicContact CG2-CG2 3.45Å; V112-V127 VanDerWaalsContact CG2-CG2 3.45Å; A123-V127 VanDerWaalsContact O-CG2 3.27Å; A123-V127 WeakPolarHBondContact O-CG2 3.23Å; V124-V127 WeakPolarHBondContact O-CB 3.46Å; V124-V127 PolarHBondContact O-N 2.88Å; S125-V127 PolarHBondContact O-N 2.73Å; V127-L130 PolarHBondContact O-N 2.59Å; V127-N131 WeakPolarHBondContact O-CB 3.47Å; V127-N131 VanDerWaalsContact O-CG 3.22Å; V127-N131 PolarHBondContact O-N 3.19Å; V127-N131 PolarHBondContact O-ND2 2.83Å
128	E	80.8	Confident	72.9	Confident	124 Å²	124	79.2 Å²	79.2	58%	0.579	40%	0.401	S	S	*	.	H	α-helix	trans	-67.3	-44.4	176.1	-67.4	178.3	155.6	0	0	110.7	V124 S125 L130 N131 Q132	V124-E128 HydrophobicContact CG1-CG 4.3Å; V124-E128 PolarHBondContact O-N 2.93Å; S125-E128 WeakPolarHBondContact O-CA 3.41Å; S125-E128 PolarHBondContact O-N 3.17Å; E128-L130 PolarHBondContact O-N 3.18Å; E128-N131 PolarHBondContact O-N 3.04Å; E128-Q132 PolarHBondContact O-N 2.93Å
129	D	81.6	Confident	72	Confident	82 Å²	82	76 Å²	76	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-41.2	173.3	-64.9	-46	0	0	0	112.2	S125 T133	S125-D129 WeakPolarHBondContact O-CB 3.39Å; S125-D129 VanDerWaalsContact O-CG 3.26Å; S125-D129 PolarHBondContact O-N 3.39Å; S125-D129 PolarHBondContact OG-OD2 3.3Å; D129-T133 WeakPolarHBondContact O-CG2 3.32Å; D129-T133 PolarHBondContact O-N 3.44Å; D129-T133 PolarHBondContact O-OG1 3.46Å
130	L	76.8	Confident	70.9	Confident	29 Å²	29	80.3 Å²	80.3	15%	0.152	40%	0.398	C	S	.	.	H	α-helix	trans	-65.9	-41.1	175.7	-177.9	66.4	0	0	0	112.1	M108 W111 L126 V127 E128 T133 L134	M108-L130 HydrophobicContact CB-CD2 4.43Å; M108-L130 HydrophobicContact CG-CD2 3.94Å; W111-L130 HydrophobicContact CD2-CD1 4.3Å; W111-L130 HydrophobicContact CD2-CD2 4.11Å; W111-L130 HydrophobicContact CE3-CB 4.34Å; W111-L130 HydrophobicContact CE3-CD1 4.45Å; W111-L130 HydrophobicContact CE3-CD2 3.72Å; W111-L130 HydrophobicContact CE3-CG 4.39Å; W111-L130 HydrophobicContact CH2-CB 4.09Å; W111-L130 HydrophobicContact CZ2-CD1 4.37Å; W111-L130 HydrophobicContact CZ3-CB 3.87Å; W111-L130 HydrophobicContact CZ3-CD2 4.11Å; W111-L130 HydrophobicContact CZ3-CG 4.4Å; L126-L130 VanDerWaalsContact O-CB 3.29Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 PolarHBondContact O-N 3.37Å; V127-L130 PolarHBondContact O-N 2.59Å; E128-L130 PolarHBondContact O-N 3.18Å; L130-T133 WeakPolarHBondContact CA-OG1 3.49Å; L130-T133 PolarHBondContact O-OG1 3.02Å; L130-T133 VanDerWaalsContact O-OG1 3.13Å; L130-L134 HydrophobicContact CG-CD1 4.43Å; L130-L134 WeakPolarHBondContact O-CG 3.25Å; L130-L134 PolarHBondContact O-N 3.16Å; L130-L134 VanDerWaalsContact O-N 3.16Å
131	N	75.1	Confident	69.7	Low	60 Å²	60	83.2 Å²	83.2	32%	0.321	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-45.2	177.5	-71.5	-37.5	0	0	0	111.2	M108 V127 E128 T133 L134 E135	M108-N131 VanDerWaalsContact CE-OD1 3.22Å; M108-N131 WeakPolarHBondContact CE-OD1 3.46Å; V127-N131 WeakPolarHBondContact O-CB 3.47Å; V127-N131 VanDerWaalsContact O-CG 3.22Å; V127-N131 PolarHBondContact O-N 3.19Å; V127-N131 PolarHBondContact O-ND2 2.83Å; E128-N131 PolarHBondContact O-N 3.04Å; N131-T133 VanDerWaalsContact C-N 3.32Å; N131-T133 PolarHBondContact O-N 3.26Å; N131-L134 WeakPolarHBondContact O-CB 3.21Å; N131-L134 PolarHBondContact O-N 3.33Å; N131-L134 VanDerWaalsContact O-N 3.08Å; N131-E135 PolarHBondContact O-N 3.41Å
132	Q	73.1	Confident	68.3	Low	108 Å²	108	82.6 Å²	82.6	51%	0.505	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-41.3	177.6	-173.6	178.3	-38.5	0	0	111.5	E128 L134 E135 E136	E128-Q132 PolarHBondContact O-N 2.93Å; Q132-L134 PolarHBondContact O-N 3.04Å; Q132-E135 PolarHBondContact O-N 3Å; Q132-E136 HydrophobicContact CG-CG 4.39Å; Q132-E136 PolarHBondContact NE2-OE1 3.37Å; Q132-E136 VanDerWaalsContact NE2-OE1 3.11Å; Q132-E136 WeakPolarHBondContact O-CG 3.42Å; Q132-E136 PolarHBondContact O-N 3.46Å
133	T	71.3	Confident	66.8	Low	70 Å²	70	85.7 Å²	85.7	43%	0.429	43%	0.43	S	S	.	.	H	α-helix	trans	-71.1	-14.7	177	51.8	0	0	0	0	114.3	D129 L130 N131 R137	D129-T133 WeakPolarHBondContact O-CG2 3.32Å; D129-T133 PolarHBondContact O-N 3.44Å; D129-T133 PolarHBondContact O-OG1 3.46Å; L130-T133 WeakPolarHBondContact CA-OG1 3.49Å; L130-T133 PolarHBondContact O-OG1 3.02Å; L130-T133 VanDerWaalsContact O-OG1 3.13Å; N131-T133 VanDerWaalsContact C-N 3.32Å; N131-T133 PolarHBondContact O-N 3.26Å; T133-R137 WeakPolarHBondContact O-CD 3.3Å; T133-R137 VanDerWaalsContact O-CG 3.24Å; T133-R137 WeakPolarHBondContact O-CG 3.5Å
134	L	66.6	Low	65	Low	74 Å²	74	92.3 Å²	92.3	39%	0.387	47%	0.465	S	S	.	.	H	α-helix	trans	-82.4	-46.3	166.8	-70.7	168	0	0	0	111.4	M108 L130 N131 Q132 E136 R137 E138	M108-L134 HydrophobicContact CE-CD1 4.43Å; L130-L134 HydrophobicContact CG-CD1 4.43Å; L130-L134 WeakPolarHBondContact O-CG 3.25Å; L130-L134 PolarHBondContact O-N 3.16Å; L130-L134 VanDerWaalsContact O-N 3.16Å; N131-L134 WeakPolarHBondContact O-CB 3.21Å; N131-L134 PolarHBondContact O-N 3.33Å; N131-L134 VanDerWaalsContact O-N 3.08Å; Q132-L134 PolarHBondContact O-N 3.04Å; L134-E136 VanDerWaalsContact C-N 3.35Å; L134-E136 PolarHBondContact O-N 3.32Å; L134-R137 WeakPolarHBondContact O-CA 3.19Å; L134-R137 WeakPolarHBondContact O-CB 3.24Å; L134-R137 PolarHBondContact O-N 3.1Å; L134-E138 PolarHBondContact O-N 3.39Å
135	E	68.4	Low	63.1	Low	130 Å²	130	94.9 Å²	94.9	61%	0.607	49%	0.486	S	S	*	.	H	α-helix	trans	-57.4	-46	176	-69.5	179.1	173.5	0	0	111.2	N131 Q132 R137 E138 D139	N131-E135 PolarHBondContact O-N 3.41Å; Q132-E135 PolarHBondContact O-N 3Å; E135-R137 PolarHBondContact O-N 3.44Å; E135-R137 VanDerWaalsContact O-N 3.17Å; E135-E138 PolarHBondContact O-N 3.42Å; E135-D139 PolarHBondContact O-N 3.31Å
136	E	64.4	Low	61.3	Low	77 Å²	77	96.2 Å²	96.2	36%	0.36	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-8.9	175.3	-59.6	-178.4	-163.6	0	0	114.4	Q132 L134 R140	Q132-E136 HydrophobicContact CG-CG 4.39Å; Q132-E136 PolarHBondContact NE2-OE1 3.37Å; Q132-E136 VanDerWaalsContact NE2-OE1 3.11Å; Q132-E136 WeakPolarHBondContact O-CG 3.42Å; Q132-E136 PolarHBondContact O-N 3.46Å; L134-E136 VanDerWaalsContact C-N 3.35Å; L134-E136 PolarHBondContact O-N 3.32Å; E136-R140 VanDerWaalsContact O-CZ 3.3Å; E136-R140 PolarHBondContact O-NE 2.97Å; E136-R140 PolarHBondContact O-NH2 3.04Å; E136-R140 IonicContact OE2-CZ 2.62Å; E136-R140 IonicContact OE2-NH2 2.85Å; E136-R140 PolarHBondContact OE2-NH2 2.88Å
137	R	57.1	Low	58.9	Low	175 Å²	175	101.2 Å²	101.2	66%	0.66	53%	0.531	S	S	*	.	H	α-helix	trans	-89.8	-39.2	171.2	-80.5	173.4	176.9	-171.7	-0.1	111.1	T133 L134 E135 R140 S141	T133-R137 WeakPolarHBondContact O-CD 3.3Å; T133-R137 VanDerWaalsContact O-CG 3.24Å; T133-R137 WeakPolarHBondContact O-CG 3.5Å; L134-R137 WeakPolarHBondContact O-CA 3.19Å; L134-R137 WeakPolarHBondContact O-CB 3.24Å; L134-R137 PolarHBondContact O-N 3.1Å; E135-R137 PolarHBondContact O-N 3.44Å; E135-R137 VanDerWaalsContact O-N 3.17Å; R137-R140 PolarHBondContact O-N 3.26Å; R137-S141 WeakPolarHBondContact O-CB 3.26Å; R137-S141 PolarHBondContact O-N 2.99Å
138	E	55.3	Low	56.6	Low	140 Å²	140	105.9 Å²	105.9	65%	0.654	56%	0.564	S	S	*	*	H	α-helix	trans	-60.5	-47.7	172	-65.9	-167.1	163	0	0	110.4	L134 E135 R140 S141 T142	L134-E138 PolarHBondContact O-N 3.39Å; E135-E138 PolarHBondContact O-N 3.42Å; E138-R140 PolarHBondContact O-N 2.86Å; E138-S141 WeakPolarHBondContact O-CB 3.41Å; E138-S141 PolarHBondContact O-N 3.38Å; E138-S141 VanDerWaalsContact O-N 3.11Å; E138-S141 PolarHBondContact O-OG 2.84Å; E138-T142 PolarHBondContact O-N 3.44Å
139	D	46.1	Very low	54.2	Low	112 Å²	112	108.8 Å²	108.8	60%	0.599	57%	0.574	S	S	*	*	H	α-helix	trans	-59.1	-45.1	178.2	-93.6	-10.6	0	0	0	112.6	E135 S141 T142	E135-D139 PolarHBondContact O-N 3.31Å; D139-S141 PolarHBondContact O-N 3.45Å; D139-T142 PolarHBondContact O-N 2.94Å; D139-T142 PolarHBondContact O-OG1 3.5Å
140	R	50.1	Low	52.2	Low	136 Å²	136	111.3 Å²	111.3	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-61.6	-40.6	174.6	-91.4	173.8	-76.8	-131.2	-2.4	112.3	E136 R137 E138 T142 Q143 D144	E136-R140 VanDerWaalsContact O-CZ 3.3Å; E136-R140 PolarHBondContact O-NE 2.97Å; E136-R140 PolarHBondContact O-NH2 3.04Å; E136-R140 IonicContact OE2-CZ 2.62Å; E136-R140 IonicContact OE2-NH2 2.85Å; E136-R140 PolarHBondContact OE2-NH2 2.88Å; R137-R140 PolarHBondContact O-N 3.26Å; E138-R140 PolarHBondContact O-N 2.86Å; R140-T142 PolarHBondContact O-N 3.31Å; R140-T142 VanDerWaalsContact O-N 3.15Å; R140-Q143 PolarHBondContact O-N 3.4Å; R140-D144 PolarHBondContact O-N 3.2Å
141	S	48.4	Very low	50	Low	79 Å²	79	118.4 Å²	118.4	55%	0.552	63%	0.625	S	S	*	*	H	α-helix	trans	-61.2	-24.6	178	80.9	0	0	0	0	113.6	R137 E138 D139	R137-S141 WeakPolarHBondContact O-CB 3.26Å; R137-S141 PolarHBondContact O-N 2.99Å; E138-S141 WeakPolarHBondContact O-CB 3.41Å; E138-S141 PolarHBondContact O-N 3.38Å; E138-S141 VanDerWaalsContact O-N 3.11Å; E138-S141 PolarHBondContact O-OG 2.84Å; D139-S141 PolarHBondContact O-N 3.45Å
142	T	46.9	Very low	48	Very low	96 Å²	96	122.9 Å²	122.9	59%	0.589	65%	0.649	S	S	*	*	H	α-helix	trans	-83.8	-12.8	176.1	69.8	0	0	0	0	114.5	E138 D139 R140	E138-T142 PolarHBondContact O-N 3.44Å; D139-T142 PolarHBondContact O-N 2.94Å; D139-T142 PolarHBondContact O-OG1 3.5Å; R140-T142 PolarHBondContact O-N 3.31Å; R140-T142 VanDerWaalsContact O-N 3.15Å
143	Q	45.1	Very low	46	Very low	150 Å²	150	125.7 Å²	125.7	70%	0.701	67%	0.666	S	S	*	*	H	α-helix	trans	-96.5	-35.6	-179.7	-65.8	-171.4	1.7	0	0	113.2	R140 S145	R140-Q143 PolarHBondContact O-N 3.4Å; Q143-S145 VanDerWaalsContact C-N 3.34Å; Q143-S145 PolarHBondContact O-N 3.21Å
144	D	38.2	Very low	44	Very low	139 Å²	139	126 Å²	126	74%	0.743	68%	0.683	S	S	*	*	S	Bend	trans	-81.3	-2.7	-175.3	-74.7	-33.7	0	0	0	115.2	R140 A146	R140-D144 PolarHBondContact O-N 3.2Å; D144-A146 PolarHBondContact O-N 3.15Å
145	S	38.7	Very low	42.5	Very low	106 Å²	106	131.7 Å²	131.7	74%	0.741	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	26.5	-177.7	73.2	0	0	0	0	115.7	Q143	Q143-S145 VanDerWaalsContact C-N 3.34Å; Q143-S145 PolarHBondContact O-N 3.21Å
146	A	43.4	Very low	40.6	Very low	84 Å²	84	135.2 Å²	135.2	69%	0.694	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	21	-163.2	0	0	0	0	0	117.1	D144	D144-A146 PolarHBondContact O-N 3.15Å
147	V	31.8	Very low	38.9	Very low	138 Å²	138	140 Å²	140	84%	0.836	75%	0.746	S	S	*	*	S	Bend	trans	-137.2	148.7	161.7	170.3	0	0	0	0	111.3
148	C	29.2	Very low	37.6	Very low	114 Å²	114	140.3 Å²	140.3	77%	0.77	76%	0.758	S	S	*	*			trans	-42.6	160.8	174.1	-56.7	0	0	0	0	115.1
149	K	31.5	Very low	36.3	Very low	186 Å²	186	139.6 Å²	139.6	81%	0.809	76%	0.763	S	S	*	*			cis	-162.1	168.1	36	-149.6	175	-174.3	-167.1	0	111.9
150	V	38.6	Very low	35.7	Very low	135 Å²	135	139 Å²	139	82%	0.818	77%	0.773	S	S	*	*			trans	-89.7	124.7	170.5	175.9	0	0	0	0	109.8
151	E	30.4	Very low	34.6	Very low	177 Å²	177	138.6 Å²	138.6	83%	0.827	79%	0.785	S	S	*	*			trans	-137.3	161.1	150.8	-67.6	-167.1	173.4	0	0	108.6
152	D	33.8	Very low	33.9	Very low	154 Å²	154	138.6 Å²	138.6	82%	0.824	78%	0.784	S	S	*	*			trans	-103.5	164.3	-164.6	-170.9	16.3	0	0	0	112
153	L	30.4	Very low	33.3	Very low	168 Å²	168	139.6 Å²	139.6	88%	0.88	79%	0.792	S	S	*	*			trans	144.8	137.1	156	-82.9	169.1	0	0	0	113.2
154	G	29.3	Very low	32.7	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	79%	0.792	S	S	*	*			trans	104	100.6	152.6	0	0	0	0	0	116.3
155	E	35	Very low	32.6	Very low	195 Å²	195	138.9 Å²	138.9	91%	0.911	79%	0.792	S	S	*	*			trans	-80	136.9	160	-57.4	175.2	126.2	0	0	109.3
156	E	29.1	Very low	32.3	Very low	203 Å²	203	140.8 Å²	140.8	95%	0.949	79%	0.79	S	S	*	*			trans	-155.8	158.3	147	-123.2	168.5	-143.6	0	0	113.2
157	E	28.2	Very low	31.8	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	79%	0.791	S	S	*	*			trans	-60.6	153.8	-150	-164.7	167.7	-169.4	0	0	119.4
158	M	30.1	Very low	32.1	Very low	182 Å²	182	147.2 Å²	147.2	90%	0.897	80%	0.795	S	S	*	*			trans	-79.3	127.4	168.5	-67.2	-174.7	-175.4	0	0	111.9
159	V	27.1	Very low	32.6	Very low	126 Å²	126	150.1 Å²	150.1	76%	0.764	80%	0.797	S	S	*	*			trans	-119.7	106.3	158.4	-176.7	0	0	0	0	109.9
160	A	34.3	Very low	33.6	Very low	98 Å²	98	146 Å²	146	81%	0.81	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-83.7	117.6	176.6	0	0	0	0	0	111
161	V	27.2	Very low	34.1	Very low	128 Å²	128	143.4 Å²	143.4	78%	0.776	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-98.6	123.5	171.9	-177.3	0	0	0	0	109.2
162	P	34	Very low	35.2	Very low	80 Å²	80	138 Å²	138	52%	0.519	75%	0.753	S	S	.	*	P	Polyproline II helix	trans	-78.4	149.5	-175.2	31	-35.2	0	0	0	112.6	H164	P162-H164 PolarHBondContact O-N 2.71Å
163	P	33.3	Very low	36	Very low	117 Å²	117	131.1 Å²	131.1	76%	0.76	72%	0.716	S	S	*	*			trans	-74.2	94.8	173.3	30.6	-33.6	0	0	0	110.6	T165	P163-T165 PolarHBondContact O-N 2.82Å
164	H	32.2	Very low	37.2	Very low	150 Å²	150	127.8 Å²	127.8	69%	0.694	70%	0.696	S	S	*	*			trans	-70.2	73.9	169.7	-80.3	-88.9	0	0	0	111.7	P162 E166	P162-H164 PolarHBondContact O-N 2.71Å; H164-E166 PolarHBondContact O-N 3.01Å
165	T	36.5	Very low	38.5	Very low	124 Å²	124	129.6 Å²	129.6	76%	0.761	69%	0.688	S	S	*	*			trans	-86.4	83.1	159.9	50.2	0	0	0	0	109.4	P163	P163-T165 PolarHBondContact O-N 2.82Å
166	E	32.5	Very low	39.5	Very low	146 Å²	146	122.7 Å²	122.7	68%	0.682	66%	0.659	S	S	*	*			trans	-50.3	128.3	163.7	-73.8	-60.1	141.3	0	0	109.8	H164 R168	H164-E166 PolarHBondContact O-N 3.01Å; E166-R168 PolarHBondContact O-N 2.77Å
167	P	32.7	Very low	40.7	Very low	111 Å²	111	113.8 Å²	113.8	72%	0.721	62%	0.619	S	S	*	*			trans	-70.6	102.4	176	29.5	-32.3	0	0	0	108.6	E169	P167-E169 PolarHBondContact O-N 2.66Å
168	R	38.1	Very low	42.1	Very low	245 Å²	245	110 Å²	110	93%	0.925	61%	0.608	S	S	*	*			trans	-57.1	114.5	172.3	-73.3	-174.1	177.9	175	0.6	109.3	E166	E166-R168 PolarHBondContact O-N 2.77Å
169	E	40.5	Very low	43.4	Very low	176 Å²	176	106.2 Å²	106.2	82%	0.822	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.6	144.5	178.2	-62.1	-170.9	131.7	0	0	110.7	P167 V171	P167-E169 PolarHBondContact O-N 2.66Å; E169-V171 PolarHBondContact O-N 2.85Å
170	P	53.4	Low	44.7	Very low	98 Å²	98	103.9 Å²	103.9	64%	0.636	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-69.4	124.4	-179.2	28.4	-33.5	0	0	0	110	T172 L212	P170-T172 PolarHBondContact O-N 3.42Å; P170-L212 HydrophobicContact CB-CD2 4.41Å
171	V	48.8	Very low	45.8	Very low	81 Å²	81	103.3 Å²	103.3	49%	0.491	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-51.2	121.7	176.4	-179	0	0	0	0	110	E169 D175 V176	E169-V171 PolarHBondContact O-N 2.85Å; V171-D175 HydrophobicContact CG1-CB 3.98Å; V171-V176 HydrophobicContact CG1-CG2 3.76Å
172	T	51.9	Low	46.5	Very low	63 Å²	63	106.2 Å²	106.2	39%	0.387	55%	0.554	S	S	.	*			trans	-84.9	178.2	-176.4	69	0	0	0	0	111.4	P170 D175	P170-T172 PolarHBondContact O-N 3.42Å; T172-D175 WeakPolarHBondContact CB-OD2 3.39Å; T172-D175 PolarHBondContact N-OD2 2.83Å; T172-D175 PolarHBondContact OG1-N 3.21Å; T172-D175 PolarHBondContact OG1-OD2 3.17Å
173	F	52	Low	47.1	Very low	11 Å²	11	104.4 Å²	104.4	5%	0.048	55%	0.55	C	S	.	*	S	Bend	trans	-75.7	-37	172.5	-174.2	-100.9	0	0	0	111.2	D175 V176 S177 L200 L204 L207 V214 L219	F173-D175 VanDerWaalsContact C-N 3.29Å; F173-D175 PolarHBondContact O-N 3.11Å; F173-V176 CarbonylContact O-C 3.13Å; F173-V176 PolarHBondContact O-N 3.3Å; F173-S177 WeakPolarHBondContact O-CB 3.3Å; F173-S177 PolarHBondContact O-N 3.28Å; F173-S177 VanDerWaalsContact O-N 3.12Å; F173-L200 HydrophobicContact CE1-CD2 4.49Å; F173-L200 HydrophobicContact CZ-CD2 4.26Å; F173-L200 HydrophobicContact CZ-CG 4.14Å; F173-L204 HydrophobicContact CD2-CD1 4.2Å; F173-L204 HydrophobicContact CE2-CB 4.05Å; F173-L204 HydrophobicContact CE2-CD1 4.08Å; F173-L207 HydrophobicContact CD2-CD1 3.8Å; F173-L207 HydrophobicContact CE2-CD1 4.46Å; F173-V214 HydrophobicContact CB-CG1 4.01Å; F173-V214 HydrophobicContact CD2-CG1 4.13Å; F173-V214 HydrophobicContact CG-CG1 4.18Å; F173-L219 HydrophobicContact CD1-CD1 4.46Å; F173-L219 HydrophobicContact CE1-CD1 3.75Å; F173-L219 HydrophobicContact CE2-CD1 3.99Å; F173-L219 HydrophobicContact CZ-CD1 3.48Å; F173-L219 VanDerWaalsContact CZ-CD1 3.48Å
174	E	55.6	Low	48.1	Very low	97 Å²	97	103.3 Å²	103.3	45%	0.453	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-51.8	-46.6	175	-77.9	54.8	-136.2	0	0	111.4	V176 S177 Q222	E174-V176 PolarHBondContact O-N 2.97Å; E174-V176 VanDerWaalsContact O-N 3.09Å; E174-S177 WeakPolarHBondContact CA-OG 3.43Å; E174-S177 PolarHBondContact O-N 3.31Å; E174-S177 VanDerWaalsContact O-N 3.11Å; E174-S177 PolarHBondContact O-OG 2.98Å; E174-Q222 PolarHBondContact OE1-NE2 3.06Å
175	D	56.4	Low	49.5	Very low	114 Å²	114	98.8 Å²	98.8	61%	0.61	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-59.5	-19.6	178.7	-61.6	-46.9	0	0	0	114.8	V171 T172 F173	V171-D175 HydrophobicContact CG1-CB 3.98Å; T172-D175 WeakPolarHBondContact CB-OD2 3.39Å; T172-D175 PolarHBondContact N-OD2 2.83Å; T172-D175 PolarHBondContact OG1-N 3.21Å; T172-D175 PolarHBondContact OG1-OD2 3.17Å; F173-D175 VanDerWaalsContact C-N 3.29Å; F173-D175 PolarHBondContact O-N 3.11Å
176	V	55.4	Low	50.6	Low	50 Å²	50	100.2 Å²	100.2	30%	0.303	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-120.2	11.2	-176.7	-153.1	0	0	0	0	111.6	V171 F173 E174 N203 L207	V171-V176 HydrophobicContact CG1-CG2 3.76Å; F173-V176 CarbonylContact O-C 3.13Å; F173-V176 PolarHBondContact O-N 3.3Å; E174-V176 PolarHBondContact O-N 2.97Å; E174-V176 VanDerWaalsContact O-N 3.09Å; V176-N203 HydrophobicContact CG1-CB 4.43Å; V176-N203 PolarHBondContact O-ND2 3.33Å; V176-L207 HydrophobicContact CB-CD1 4.37Å; V176-L207 HydrophobicContact CG2-CD1 4.24Å; V176-L207 HydrophobicContact CG2-CD2 4.4Å
177	S	54.8	Low	51.7	Low	16 Å²	16	101 Å²	101	11%	0.112	51%	0.513	C	S	.	.			trans	-104.9	149	177.4	75.8	0	0	0	0	111.2	F173 E174 N179	F173-S177 WeakPolarHBondContact O-CB 3.3Å; F173-S177 PolarHBondContact O-N 3.28Å; F173-S177 VanDerWaalsContact O-N 3.12Å; E174-S177 WeakPolarHBondContact CA-OG 3.43Å; E174-S177 PolarHBondContact O-N 3.31Å; E174-S177 VanDerWaalsContact O-N 3.11Å; E174-S177 PolarHBondContact O-OG 2.98Å; S177-N179 PolarHBondContact OG-ND2 3.47Å; S177-N179 VanDerWaalsContact OG-ND2 3.13Å
178	V	58.2	Low	53	Low	97 Å²	97	97.2 Å²	97.2	59%	0.588	49%	0.486	S	S	*	.			trans	-120	90.8	177	-179.6	0	0	0	0	108.8	Y196	V178-Y196 HydrophobicContact CB-CE2 4.37Å; V178-Y196 VanDerWaalsContact O-CE2 3.23Å; V178-Y196 WeakPolarHBondContact O-CE2 3.5Å; V178-Y196 PolarHBondContact O-OH 3.34Å
179	N	55.6	Low	54.2	Low	103 Å²	103	91.3 Å²	91.3	55%	0.551	47%	0.469	S	S	*	.			trans	-74	130.5	-172.9	-69.5	-66.5	0	0	0	112.4	S177	S177-N179 PolarHBondContact OG-ND2 3.47Å; S177-N179 VanDerWaalsContact OG-ND2 3.13Å
180	F	56.2	Low	55.1	Low	77 Å²	77	86.8 Å²	86.8	34%	0.338	46%	0.455	S	S	.	.			trans	-104.6	141.8	174.6	-71.4	-73	0	0	0	111.5	E184 W185 L188 Y196	F180-E184 HydrophobicContact CD1-CB 4.11Å; F180-W185 HydrophobicContact CB-CB 4.41Å; F180-W185 HydrophobicContact CB-CE3 4.18Å; F180-W185 AromaticContact CD2-CE3 3.83Å; F180-W185 HydrophobicContact CD2-CE3 3.83Å; F180-W185 HydrophobicContact CD2-CZ3 4Å; F180-W185 HydrophobicContact CG-CE3 4.26Å; F180-L188 HydrophobicContact CD1-CD1 4.36Å; F180-L188 HydrophobicContact CD2-CD1 3.99Å; F180-L188 HydrophobicContact CE1-CD1 4.18Å; F180-L188 HydrophobicContact CE1-CD2 4.41Å; F180-L188 HydrophobicContact CE2-CD1 3.77Å; F180-L188 HydrophobicContact CG-CD1 4.28Å; F180-L188 HydrophobicContact CZ-CD1 3.87Å; F180-L188 HydrophobicContact CZ-CD2 4.32Å; F180-Y196 HydrophobicContact CD2-CD2 4.24Å; F180-Y196 AromaticContact CD2-CE2 3.94Å; F180-Y196 HydrophobicContact CD2-CE2 3.94Å; F180-Y196 AromaticContact CE2-CD2 3.58Å; F180-Y196 HydrophobicContact CE2-CD2 3.58Å; F180-Y196 AromaticContact CE2-CE2 3.64Å; F180-Y196 HydrophobicContact CE2-CE2 3.64Å; F180-Y196 HydrophobicContact CE2-CG 4.18Å
181	T	57.1	Low	55.1	Low	85 Å²	85	86.4 Å²	86.4	52%	0.521	46%	0.455	S	S	.	.			trans	-71.8	162.2	168.9	69.8	0	0	0	0	111.8	G183 E184 W185	T181-G183 PolarHBondContact O-N 3.49Å; T181-G183 VanDerWaalsContact O-N 3.11Å; T181-E184 WeakPolarHBondContact CB-OE2 3.32Å; T181-E184 VanDerWaalsContact CG2-OE2 3.26Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.43Å; T181-E184 PolarHBondContact N-OE2 3.44Å; T181-E184 PolarHBondContact O-N 3.38Å; T181-E184 WeakPolarHBondContact OG1-CG 3.43Å; T181-E184 PolarHBondContact OG1-N 2.93Å; T181-E184 PolarHBondContact OG1-OE2 2.91Å; T181-W185 WeakPolarHBondContact O-CB 3.29Å; T181-W185 PolarHBondContact O-N 3.3Å
182	R	41.7	Very low	55.5	Low	190 Å²	190	87.2 Å²	87.2	72%	0.717	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-15.9	177.6	-163.9	177.6	-177.1	-156.8	2.7	113.8
183	G	46.7	Very low	56.2	Low	42 Å²	42	87.6 Å²	87.6	43%	0.433	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-59.6	170.9	0	0	0	0	0	111.2	T181 W185 K186	T181-G183 PolarHBondContact O-N 3.49Å; T181-G183 VanDerWaalsContact O-N 3.11Å; G183-W185 VanDerWaalsContact C-N 3.31Å; G183-W185 PolarHBondContact O-N 3.35Å; G183-K186 WeakPolarHBondContact O-CB 3.43Å; G183-K186 PolarHBondContact O-N 3.19Å
184	E	54.4	Low	56.6	Low	94 Å²	94	91.7 Å²	91.7	44%	0.439	47%	0.467	S	S	.	.	H	α-helix	trans	-58.2	-41.2	-177.9	-63.5	158.2	126	0	0	112.3	F180 T181 K186 M187 L188	F180-E184 HydrophobicContact CD1-CB 4.11Å; T181-E184 WeakPolarHBondContact CB-OE2 3.32Å; T181-E184 VanDerWaalsContact CG2-OE2 3.26Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.43Å; T181-E184 PolarHBondContact N-OE2 3.44Å; T181-E184 PolarHBondContact O-N 3.38Å; T181-E184 WeakPolarHBondContact OG1-CG 3.43Å; T181-E184 PolarHBondContact OG1-N 2.93Å; T181-E184 PolarHBondContact OG1-OE2 2.91Å; E184-K186 PolarHBondContact O-N 3.41Å; E184-K186 VanDerWaalsContact O-N 3.16Å; E184-M187 WeakPolarHBondContact O-CA 3.35Å; E184-M187 PolarHBondContact O-N 3.18Å; E184-L188 PolarHBondContact O-N 2.9Å
185	W	60.2	Low	57	Low	54 Å²	54	91.9 Å²	91.9	21%	0.205	47%	0.471	C	S	.	.	H	α-helix	trans	-57.2	-32.7	177.4	-173.1	-102.8	0	0	0	112.9	F180 T181 G183 M187 L188 R193 Y196 V226	F180-W185 HydrophobicContact CB-CB 4.41Å; F180-W185 HydrophobicContact CB-CE3 4.18Å; F180-W185 AromaticContact CD2-CE3 3.83Å; F180-W185 HydrophobicContact CD2-CE3 3.83Å; F180-W185 HydrophobicContact CD2-CZ3 4Å; F180-W185 HydrophobicContact CG-CE3 4.26Å; T181-W185 WeakPolarHBondContact O-CB 3.29Å; T181-W185 PolarHBondContact O-N 3.3Å; G183-W185 VanDerWaalsContact C-N 3.31Å; G183-W185 PolarHBondContact O-N 3.35Å; W185-M187 VanDerWaalsContact C-N 3.31Å; W185-L188 HydrophobicContact CD2-CD1 4.46Å; W185-L188 HydrophobicContact CE3-CD1 3.69Å; W185-L188 HydrophobicContact CZ3-CD1 3.99Å; W185-R193 HydrophobicContact CH2-CB 4.06Å; W185-R193 HydrophobicContact CH2-CG 4.21Å; W185-R193 HydrophobicContact CZ2-CB 4.02Å; W185-R193 HydrophobicContact CZ2-CG 4.03Å; W185-R193 VanDerWaalsContact O-CZ 3.31Å; W185-R193 PolarHBondContact O-NE 2.87Å; W185-R193 PolarHBondContact O-NH2 2.88Å; W185-Y196 AromaticContact CH2-CD1 3.61Å; W185-Y196 HydrophobicContact CH2-CD1 3.61Å; W185-Y196 HydrophobicContact CH2-CE1 4.03Å; W185-Y196 HydrophobicContact CH2-CG 4.48Å; W185-Y196 AromaticContact CZ3-CD1 3.46Å; W185-Y196 HydrophobicContact CZ3-CD1 3.46Å; W185-Y196 VanDerWaalsContact CZ3-CD1 3.46Å; W185-Y196 AromaticContact CZ3-CE1 3.72Å; W185-Y196 HydrophobicContact CZ3-CE1 3.72Å; W185-Y196 HydrophobicContact CZ3-CG 4.1Å; W185-V226 HydrophobicContact CZ2-CG2 3.98Å
186	K	59.9	Low	57.6	Low	154 Å²	154	88.4 Å²	88.4	67%	0.67	45%	0.449	S	S	*	.	H	α-helix	trans	-73.1	-21.7	175	-71	178.9	174.4	-175.9	0	113.3	G183 E184 R193	G183-K186 WeakPolarHBondContact O-CB 3.43Å; G183-K186 PolarHBondContact O-N 3.19Å; E184-K186 PolarHBondContact O-N 3.41Å; E184-K186 VanDerWaalsContact O-N 3.16Å; K186-R193 VanDerWaalsContact C-NH2 3.34Å; K186-R193 PolarHBondContact O-NH2 3.42Å
187	M	56.9	Low	57.8	Low	162 Å²	162	87.7 Å²	87.7	80%	0.798	44%	0.442	S	S	*	.	H	α-helix	trans	-90.9	-14.7	180	-59.1	-168.6	69.3	0	0	113.5	E184 W185	E184-M187 WeakPolarHBondContact O-CA 3.35Å; E184-M187 PolarHBondContact O-N 3.18Å; W185-M187 VanDerWaalsContact C-N 3.31Å
188	L	58.9	Low	58	Low	32 Å²	32	92.9 Å²	92.9	17%	0.168	47%	0.465	C	S	.	.	S	Bend	trans	-68.4	137	169	-64.3	174.9	0	0	0	111	F180 E184 W185 Q192 R193	F180-L188 HydrophobicContact CD1-CD1 4.36Å; F180-L188 HydrophobicContact CD2-CD1 3.99Å; F180-L188 HydrophobicContact CE1-CD1 4.18Å; F180-L188 HydrophobicContact CE1-CD2 4.41Å; F180-L188 HydrophobicContact CE2-CD1 3.77Å; F180-L188 HydrophobicContact CG-CD1 4.28Å; F180-L188 HydrophobicContact CZ-CD1 3.87Å; F180-L188 HydrophobicContact CZ-CD2 4.32Å; E184-L188 PolarHBondContact O-N 2.9Å; W185-L188 HydrophobicContact CD2-CD1 4.46Å; W185-L188 HydrophobicContact CE3-CD1 3.69Å; W185-L188 HydrophobicContact CZ3-CD1 3.99Å; L188-Q192 HydrophobicContact CB-CB 4.38Å; L188-Q192 HydrophobicContact CD2-CB 4.45Å; L188-R193 HydrophobicContact CB-CG 3.69Å; L188-R193 HydrophobicContact CD1-CG 4.31Å; L188-R193 PolarHBondContact O-NE 2.89Å; L188-R193 PolarHBondContact O-NH2 3.03Å
189	E	62.9	Low	58.2	Low	121 Å²	121	91.5 Å²	91.5	57%	0.565	46%	0.456	S	S	*	.			trans	-70.3	156.4	173.1	-76.2	-59.8	144	0	0	112.1	S191 Q192 R193	E189-S191 VanDerWaalsContact C-N 3.27Å; E189-S191 PolarHBondContact O-N 2.86Å; E189-Q192 HydrophobicContact CB-CG 4.27Å; E189-Q192 WeakPolarHBondContact O-CB 3.4Å; E189-Q192 PolarHBondContact O-N 3.04Å; E189-R193 PolarHBondContact O-N 3.11Å
190	P	60	Low	58.7	Low	82 Å²	82	87.2 Å²	87.2	53%	0.532	43%	0.433	S	S	.	.	H	α-helix	trans	-53.9	-39.4	-177.5	-28	35.7	0	0	0	114.2	R193 E194	P190-R193 PolarHBondContact O-N 3.49Å; P190-E194 PolarHBondContact O-N 2.94Å
191	S	54.5	Low	58.8	Low	89 Å²	89	86.7 Å²	86.7	62%	0.622	43%	0.433	S	S	*	.	H	α-helix	trans	-67.5	-35.7	176.3	51.4	0	0	0	0	113.1	E189 E194 L195	E189-S191 VanDerWaalsContact C-N 3.27Å; E189-S191 PolarHBondContact O-N 2.86Å; S191-E194 PolarHBondContact O-N 3.37Å; S191-L195 WeakPolarHBondContact O-CB 3.28Å; S191-L195 PolarHBondContact O-N 2.8Å
192	Q	56.8	Low	59	Low	99 Å²	99	86.9 Å²	86.9	46%	0.463	43%	0.429	S	S	.	.	H	α-helix	trans	-70	-40.6	175.7	-64.5	174	-28.4	0	0	111.1	L188 E189 E194 L195 Y196	L188-Q192 HydrophobicContact CB-CB 4.38Å; L188-Q192 HydrophobicContact CD2-CB 4.45Å; E189-Q192 HydrophobicContact CB-CG 4.27Å; E189-Q192 WeakPolarHBondContact O-CB 3.4Å; E189-Q192 PolarHBondContact O-N 3.04Å; Q192-E194 VanDerWaalsContact C-N 3.29Å; Q192-E194 PolarHBondContact O-N 3.26Å; Q192-L195 PolarHBondContact O-N 3.17Å; Q192-Y196 WeakPolarHBondContact O-CB 3.24Å; Q192-Y196 PolarHBondContact O-N 3.34Å
193	R	65.8	Low	59.7	Low	70 Å²	70	80 Å²	80	26%	0.264	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-34.6	173.3	-64.2	-178.1	-166.8	143.5	13.3	112.1	W185 K186 L188 E189 P190 K197	W185-R193 HydrophobicContact CH2-CB 4.06Å; W185-R193 HydrophobicContact CH2-CG 4.21Å; W185-R193 HydrophobicContact CZ2-CB 4.02Å; W185-R193 HydrophobicContact CZ2-CG 4.03Å; W185-R193 VanDerWaalsContact O-CZ 3.31Å; W185-R193 PolarHBondContact O-NE 2.87Å; W185-R193 PolarHBondContact O-NH2 2.88Å; K186-R193 VanDerWaalsContact C-NH2 3.34Å; K186-R193 PolarHBondContact O-NH2 3.42Å; L188-R193 HydrophobicContact CB-CG 3.69Å; L188-R193 HydrophobicContact CD1-CG 4.31Å; L188-R193 PolarHBondContact O-NE 2.89Å; L188-R193 PolarHBondContact O-NH2 3.03Å; E189-R193 PolarHBondContact O-N 3.11Å; P190-R193 PolarHBondContact O-N 3.49Å; R193-K197 WeakPolarHBondContact O-CG 3.46Å; R193-K197 PolarHBondContact O-N 3.18Å
194	E	60.6	Low	60.1	Low	97 Å²	97	79.5 Å²	79.5	45%	0.453	39%	0.393	S	S	.	.	H	α-helix	trans	-74.9	-45.4	176.7	-143.1	62.8	-137.5	0	0	111.8	P190 S191 Q192 Y196 K197 E198	P190-E194 PolarHBondContact O-N 2.94Å; S191-E194 PolarHBondContact O-N 3.37Å; Q192-E194 VanDerWaalsContact C-N 3.29Å; Q192-E194 PolarHBondContact O-N 3.26Å; E194-Y196 VanDerWaalsContact C-N 3.27Å; E194-Y196 PolarHBondContact O-N 2.88Å; E194-K197 WeakPolarHBondContact O-CB 3.37Å; E194-K197 PolarHBondContact O-N 2.64Å; E194-K197 WeakPolarHBondContact OE1-CD 3.49Å; E194-K197 IonicContact OE1-NZ 3.65Å; E194-K197 PolarHBondContact OE1-NZ 3.13Å; E194-K197 IonicContact OE2-NZ 3.32Å; E194-K197 PolarHBondContact OE2-NZ 3.32Å; E194-E198 PolarHBondContact O-N 3.28Å
195	L	63.9	Low	60.2	Low	102 Å²	102	81 Å²	81	53%	0.534	40%	0.395	S	S	.	.	H	α-helix	trans	-57.5	-40.6	174.3	179.4	62.1	0	0	0	111.7	S191 Q192 K197 E198 V199	S191-L195 WeakPolarHBondContact O-CB 3.28Å; S191-L195 PolarHBondContact O-N 2.8Å; Q192-L195 PolarHBondContact O-N 3.17Å; L195-K197 PolarHBondContact O-N 3.02Å; L195-E198 PolarHBondContact O-N 3.15Å; L195-V199 HydrophobicContact CD1-CG2 4.29Å; L195-V199 WeakPolarHBondContact O-CG2 2.98Å; L195-V199 PolarHBondContact O-N 3.13Å
196	Y	68.6	Low	60	Low	40 Å²	40	81.9 Å²	81.9	16%	0.157	40%	0.403	C	S	.	.	H	α-helix	trans	-59.4	-42.6	173.6	172	-94.9	0	0	0	112.5	V178 F180 W185 Q192 E194 V199 L200	V178-Y196 HydrophobicContact CB-CE2 4.37Å; V178-Y196 VanDerWaalsContact O-CE2 3.23Å; V178-Y196 WeakPolarHBondContact O-CE2 3.5Å; V178-Y196 PolarHBondContact O-OH 3.34Å; F180-Y196 HydrophobicContact CD2-CD2 4.24Å; F180-Y196 AromaticContact CD2-CE2 3.94Å; F180-Y196 HydrophobicContact CD2-CE2 3.94Å; F180-Y196 AromaticContact CE2-CD2 3.58Å; F180-Y196 HydrophobicContact CE2-CD2 3.58Å; F180-Y196 AromaticContact CE2-CE2 3.64Å; F180-Y196 HydrophobicContact CE2-CE2 3.64Å; F180-Y196 HydrophobicContact CE2-CG 4.18Å; W185-Y196 AromaticContact CH2-CD1 3.61Å; W185-Y196 HydrophobicContact CH2-CD1 3.61Å; W185-Y196 HydrophobicContact CH2-CE1 4.03Å; W185-Y196 HydrophobicContact CH2-CG 4.48Å; W185-Y196 AromaticContact CZ3-CD1 3.46Å; W185-Y196 HydrophobicContact CZ3-CD1 3.46Å; W185-Y196 VanDerWaalsContact CZ3-CD1 3.46Å; W185-Y196 AromaticContact CZ3-CE1 3.72Å; W185-Y196 HydrophobicContact CZ3-CE1 3.72Å; W185-Y196 HydrophobicContact CZ3-CG 4.1Å; Q192-Y196 WeakPolarHBondContact O-CB 3.24Å; Q192-Y196 PolarHBondContact O-N 3.34Å; E194-Y196 VanDerWaalsContact C-N 3.27Å; E194-Y196 PolarHBondContact O-N 2.88Å; Y196-V199 PolarHBondContact O-N 3.01Å; Y196-L200 HydrophobicContact CD2-CD1 4.06Å; Y196-L200 HydrophobicContact CE1-CD1 4.08Å; Y196-L200 HydrophobicContact CE1-CD2 3.89Å; Y196-L200 HydrophobicContact CE2-CD1 3.48Å; Y196-L200 VanDerWaalsContact CE2-CD1 3.48Å; Y196-L200 VanDerWaalsContact CZ-CD1 3.5Å; Y196-L200 PolarHBondContact O-N 3Å; Y196-L200 WeakPolarHBondContact OH-CD2 3.26Å
197	K	59.4	Low	59.7	Low	36 Å²	36	75 Å²	75	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-65.4	-42.8	174.3	-66.3	174.5	-138.4	161.9	0	111.6	R193 E194 L195 V199 L200 L201	R193-K197 WeakPolarHBondContact O-CG 3.46Å; R193-K197 PolarHBondContact O-N 3.18Å; E194-K197 WeakPolarHBondContact O-CB 3.37Å; E194-K197 PolarHBondContact O-N 2.64Å; E194-K197 WeakPolarHBondContact OE1-CD 3.49Å; E194-K197 IonicContact OE1-NZ 3.65Å; E194-K197 PolarHBondContact OE1-NZ 3.13Å; E194-K197 IonicContact OE2-NZ 3.32Å; E194-K197 PolarHBondContact OE2-NZ 3.32Å; L195-K197 PolarHBondContact O-N 3.02Å; K197-V199 VanDerWaalsContact C-N 3.3Å; K197-V199 PolarHBondContact O-N 2.93Å; K197-L200 PolarHBondContact O-N 3.01Å; K197-L201 VanDerWaalsContact O-CB 3.28Å; K197-L201 WeakPolarHBondContact O-CB 3.26Å; K197-L201 WeakPolarHBondContact O-CG 3.29Å; K197-L201 PolarHBondContact O-N 3.21Å
198	E	59.3	Low	59.5	Low	125 Å²	125	73 Å²	73	58%	0.584	36%	0.363	S	S	*	.	H	α-helix	trans	-59.5	-43	176.7	-71.1	-165.8	153.2	0	0	111	E194 L195 L201 E202	E194-E198 PolarHBondContact O-N 3.28Å; L195-E198 PolarHBondContact O-N 3.15Å; E198-L201 PolarHBondContact O-N 3.07Å; E198-E202 VanDerWaalsContact O-CB 3.31Å; E198-E202 WeakPolarHBondContact O-CB 3.43Å; E198-E202 PolarHBondContact O-N 3.42Å
199	V	63.4	Low	58.9	Low	68 Å²	68	77.7 Å²	77.7	41%	0.412	38%	0.382	S	S	.	.	H	α-helix	trans	-67.9	-43.4	176.6	172.2	0	0	0	0	112.1	L195 Y196 K197 L201 E202 N203	L195-V199 HydrophobicContact CD1-CG2 4.29Å; L195-V199 WeakPolarHBondContact O-CG2 2.98Å; L195-V199 PolarHBondContact O-N 3.13Å; Y196-V199 PolarHBondContact O-N 3.01Å; K197-V199 VanDerWaalsContact C-N 3.3Å; K197-V199 PolarHBondContact O-N 2.93Å; V199-L201 VanDerWaalsContact C-N 3.34Å; V199-L201 PolarHBondContact O-N 3.12Å; V199-E202 PolarHBondContact O-N 3.41Å; V199-N203 WeakPolarHBondContact O-CB 3.05Å; V199-N203 VanDerWaalsContact O-CG 3.31Å; V199-N203 PolarHBondContact O-N 3.45Å; V199-N203 PolarHBondContact O-OD1 2.95Å
200	L	64.6	Low	58.1	Low	12 Å²	12	76.3 Å²	76.3	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-39.8	174.8	-110.5	70.1	0	0	0	112.1	F173 Y196 K197 L204	F173-L200 HydrophobicContact CE1-CD2 4.49Å; F173-L200 HydrophobicContact CZ-CD2 4.26Å; F173-L200 HydrophobicContact CZ-CG 4.14Å; Y196-L200 HydrophobicContact CD2-CD1 4.06Å; Y196-L200 HydrophobicContact CE1-CD1 4.08Å; Y196-L200 HydrophobicContact CE1-CD2 3.89Å; Y196-L200 HydrophobicContact CE2-CD1 3.48Å; Y196-L200 VanDerWaalsContact CE2-CD1 3.48Å; Y196-L200 VanDerWaalsContact CZ-CD1 3.5Å; Y196-L200 PolarHBondContact O-N 3Å; Y196-L200 WeakPolarHBondContact OH-CD2 3.26Å; K197-L200 PolarHBondContact O-N 3.01Å; L200-L204 VanDerWaalsContact O-CB 3.29Å; L200-L204 WeakPolarHBondContact O-CB 3.47Å; L200-L204 PolarHBondContact O-N 2.92Å
201	L	59.3	Low	57.5	Low	66 Å²	66	75.4 Å²	75.4	35%	0.346	38%	0.384	S	S	.	.	H	α-helix	trans	-70.2	-32.7	176.7	-71.1	169.6	0	0	0	112.2	K197 E198 V199 R205	K197-L201 VanDerWaalsContact O-CB 3.28Å; K197-L201 WeakPolarHBondContact O-CB 3.26Å; K197-L201 WeakPolarHBondContact O-CG 3.29Å; K197-L201 PolarHBondContact O-N 3.21Å; E198-L201 PolarHBondContact O-N 3.07Å; V199-L201 VanDerWaalsContact C-N 3.34Å; V199-L201 PolarHBondContact O-N 3.12Å; L201-R205 WeakPolarHBondContact O-CB 3.29Å; L201-R205 VanDerWaalsContact O-CG 3.31Å; L201-R205 WeakPolarHBondContact O-CG 3.44Å; L201-R205 PolarHBondContact O-N 3.49Å
202	E	61	Low	57.2	Low	90 Å²	90	73.6 Å²	73.6	42%	0.421	37%	0.367	S	S	.	.	H	α-helix	trans	-74.5	-39.7	173.8	-165.5	68.4	177.1	0	0	111.5	E198 V199 L204 R205 N206	E198-E202 VanDerWaalsContact O-CB 3.31Å; E198-E202 WeakPolarHBondContact O-CB 3.43Å; E198-E202 PolarHBondContact O-N 3.42Å; V199-E202 PolarHBondContact O-N 3.41Å; E202-L204 VanDerWaalsContact C-N 3.35Å; E202-R205 PolarHBondContact O-N 3.42Å; E202-R205 IonicContact OE2-CZ 3.21Å; E202-R205 IonicContact OE2-NE 2.73Å; E202-R205 PolarHBondContact OE2-NE 3.38Å; E202-R205 IonicContact OE2-NH2 3.78Å; E202-R205 PolarHBondContact OE2-NH2 3.45Å; E202-N206 WeakPolarHBondContact O-CB 3.31Å; E202-N206 VanDerWaalsContact O-CG 3.25Å; E202-N206 PolarHBondContact O-N 3.25Å; E202-N206 PolarHBondContact O-ND2 2.95Å
203	N	56.5	Low	56.6	Low	46 Å²	46	75 Å²	75	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-61.6	-42.9	171.5	-74.3	1	0	0	0	111	V176 V199 N206 L207	V176-N203 HydrophobicContact CG1-CB 4.43Å; V176-N203 PolarHBondContact O-ND2 3.33Å; V199-N203 WeakPolarHBondContact O-CB 3.05Å; V199-N203 VanDerWaalsContact O-CG 3.31Å; V199-N203 PolarHBondContact O-N 3.45Å; V199-N203 PolarHBondContact O-OD1 2.95Å; N203-N206 PolarHBondContact O-N 3.03Å; N203-L207 WeakPolarHBondContact O-CG 3.44Å; N203-L207 PolarHBondContact O-N 2.88Å
204	L	54.7	Low	55.9	Low	30 Å²	30	73.6 Å²	73.6	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-60.3	-48.7	172.8	-179	66.6	0	0	0	111.8	F173 L200 E202 N206 L207 E208 V214 L219	F173-L204 HydrophobicContact CD2-CD1 4.2Å; F173-L204 HydrophobicContact CE2-CB 4.05Å; F173-L204 HydrophobicContact CE2-CD1 4.08Å; L200-L204 VanDerWaalsContact O-CB 3.29Å; L200-L204 WeakPolarHBondContact O-CB 3.47Å; L200-L204 PolarHBondContact O-N 2.92Å; E202-L204 VanDerWaalsContact C-N 3.35Å; L204-N206 PolarHBondContact O-N 2.84Å; L204-L207 PolarHBondContact O-N 3.4Å; L204-E208 WeakPolarHBondContact O-CB 3.27Å; L204-E208 PolarHBondContact O-N 2.93Å; L204-V214 HydrophobicContact CD1-CB 3.93Å; L204-V214 HydrophobicContact CD1-CG1 3.63Å; L204-V214 HydrophobicContact CD1-CG2 4.12Å; L204-L219 HydrophobicContact CD1-CD1 4.25Å; L204-L219 HydrophobicContact CD2-CD1 3.88Å; L204-L219 HydrophobicContact CD2-CD2 3.51Å; L204-L219 HydrophobicContact CD2-CG 4.34Å
205	R	57.5	Low	55.4	Low	125 Å²	125	71.5 Å²	71.5	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-59.1	-37.2	175.2	-79.8	-174.3	-67.9	-94.5	0.9	111.8	L201 E202 F209	L201-R205 WeakPolarHBondContact O-CB 3.29Å; L201-R205 VanDerWaalsContact O-CG 3.31Å; L201-R205 WeakPolarHBondContact O-CG 3.44Å; L201-R205 PolarHBondContact O-N 3.49Å; E202-R205 PolarHBondContact O-N 3.42Å; E202-R205 IonicContact OE2-CZ 3.21Å; E202-R205 IonicContact OE2-NE 2.73Å; E202-R205 PolarHBondContact OE2-NE 3.38Å; E202-R205 IonicContact OE2-NH2 3.78Å; E202-R205 PolarHBondContact OE2-NH2 3.45Å; R205-F209 WeakPolarHBondContact O-CB 3.33Å; R205-F209 PolarHBondContact O-N 3.29Å
206	N	55.3	Low	54.5	Low	73 Å²	73	73.8 Å²	73.8	39%	0.39	39%	0.385	S	S	.	.	H	α-helix	trans	-70.1	-37.6	176.4	-75.9	-44.2	0	0	0	112.5	E202 N203 L204 F209 L210	E202-N206 WeakPolarHBondContact O-CB 3.31Å; E202-N206 VanDerWaalsContact O-CG 3.25Å; E202-N206 PolarHBondContact O-N 3.25Å; E202-N206 PolarHBondContact O-ND2 2.95Å; N203-N206 PolarHBondContact O-N 3.03Å; L204-N206 PolarHBondContact O-N 2.84Å; N206-F209 PolarHBondContact O-N 2.95Å; N206-L210 WeakPolarHBondContact O-CB 3.29Å; N206-L210 WeakPolarHBondContact O-CD1 3.16Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 2.75Å
207	L	53	Low	53.3	Low	10 Å²	10	76.6 Å²	76.6	5%	0.052	41%	0.406	C	S	.	.	H	α-helix	trans	-70.1	-41	175	-70.9	167.3	0	0	0	112	F173 V176 N203 L204 L210 G211 L212 V214	F173-L207 HydrophobicContact CD2-CD1 3.8Å; F173-L207 HydrophobicContact CE2-CD1 4.46Å; V176-L207 HydrophobicContact CB-CD1 4.37Å; V176-L207 HydrophobicContact CG2-CD1 4.24Å; V176-L207 HydrophobicContact CG2-CD2 4.4Å; N203-L207 WeakPolarHBondContact O-CG 3.44Å; N203-L207 PolarHBondContact O-N 2.88Å; L204-L207 PolarHBondContact O-N 3.4Å; L207-L210 CarbonylContact O-C 3.53Å; L207-L210 PolarHBondContact O-N 3.14Å; L207-G211 PolarHBondContact O-N 2.68Å; L207-L212 HydrophobicContact CD2-CD1 3.77Å; L207-L212 PolarHBondContact O-N 2.77Å; L207-L212 VanDerWaalsContact O-N 3.11Å; L207-V214 HydrophobicContact CB-CG2 4.04Å; L207-V214 HydrophobicContact CD1-CG2 4.47Å
208	E	52.9	Low	52.6	Low	119 Å²	119	78.6 Å²	78.6	56%	0.556	42%	0.419	S	S	*	.	H	α-helix	trans	-64.6	-40.2	172.4	-168.2	172.3	-138.9	0	0	111	L204 L210 G211	L204-E208 WeakPolarHBondContact O-CB 3.27Å; L204-E208 PolarHBondContact O-N 2.93Å; E208-L210 VanDerWaalsContact C-N 3.28Å; E208-L210 PolarHBondContact O-N 3.46Å; E208-G211 PolarHBondContact O-N 2.86Å
209	F	46.4	Very low	52	Low	131 Å²	131	74 Å²	74	58%	0.575	40%	0.398	S	S	*	.	H	α-helix	trans	-67.8	-23.4	172.5	178.4	-97.8	0	0	0	113.8	R205 N206 G211 F603 I607	R205-F209 WeakPolarHBondContact O-CB 3.33Å; R205-F209 PolarHBondContact O-N 3.29Å; N206-F209 PolarHBondContact O-N 2.95Å; F209-G211 VanDerWaalsContact C-N 3.32Å; F209-F603 HydrophobicContact CZ-CZ 4.19Å; F209-I607 HydrophobicContact CE2-CD1 4.14Å; F209-I607 HydrophobicContact CZ-CD1 4.05Å
210	L	47.7	Very low	51.1	Low	92 Å²	92	74.1 Å²	74.1	48%	0.482	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.1	170.4	-75.6	169	0	0	0	113.1	N206 L207 E208	N206-L210 WeakPolarHBondContact O-CB 3.29Å; N206-L210 WeakPolarHBondContact O-CD1 3.16Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 2.75Å; L207-L210 CarbonylContact O-C 3.53Å; L207-L210 PolarHBondContact O-N 3.14Å; E208-L210 VanDerWaalsContact C-N 3.28Å; E208-L210 PolarHBondContact O-N 3.46Å
211	G	46.2	Very low	50.4	Low	63 Å²	63	76 Å²	76	65%	0.649	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	13.8	177.7	0	0	0	0	0	114.9	L207 E208 F209	L207-G211 PolarHBondContact O-N 2.68Å; E208-G211 PolarHBondContact O-N 2.86Å; F209-G211 VanDerWaalsContact C-N 3.32Å
212	L	47.8	Very low	49.9	Very low	52 Å²	52	75.2 Å²	75.2	27%	0.272	40%	0.404	S	S	.	.			trans	-81.7	131.6	178.3	-68.8	169.5	0	0	0	110.4	P170 L207 V214	P170-L212 HydrophobicContact CB-CD2 4.41Å; L207-L212 HydrophobicContact CD2-CD1 3.77Å; L207-L212 PolarHBondContact O-N 2.77Å; L207-L212 VanDerWaalsContact O-N 3.11Å; L212-V214 PolarHBondContact O-N 2.87Å
213	P	45.3	Very low	49.2	Very low	128 Å²	128	72.6 Å²	72.6	83%	0.831	39%	0.393	S	S	*	.			trans	-78.6	87.5	-173.4	31.5	-35.4	0	0	0	112
214	V	51	Low	48.3	Very low	41 Å²	41	77.7 Å²	77.7	25%	0.248	41%	0.413	C	S	.	.			trans	-79.7	127.3	175.2	-173.7	0	0	0	0	111.2	F173 L204 L207 L212 K216	F173-V214 HydrophobicContact CB-CG1 4.01Å; F173-V214 HydrophobicContact CD2-CG1 4.13Å; F173-V214 HydrophobicContact CG-CG1 4.18Å; L204-V214 HydrophobicContact CD1-CB 3.93Å; L204-V214 HydrophobicContact CD1-CG1 3.63Å; L204-V214 HydrophobicContact CD1-CG2 4.12Å; L207-V214 HydrophobicContact CB-CG2 4.04Å; L207-V214 HydrophobicContact CD1-CG2 4.47Å; L212-V214 PolarHBondContact O-N 2.87Å; V214-K216 PolarHBondContact O-N 2.8Å
215	S	49.7	Very low	47.6	Very low	53 Å²	53	85.3 Å²	85.3	37%	0.371	44%	0.44	S	S	.	.			trans	-70.3	124.7	175.4	167.6	0	0	0	0	111.7	V217 D218	S215-V217 PolarHBondContact O-N 2.97Å; S215-V217 PolarHBondContact OG-N 2.81Å; S215-D218 WeakPolarHBondContact CB-OD2 3.34Å; S215-D218 PolarHBondContact OG-OD2 3.23Å
216	K	45.8	Very low	46.7	Very low	150 Å²	150	80.8 Å²	80.8	65%	0.652	43%	0.426	S	S	*	.	H	α-helix	trans	-71.9	-14.8	178.2	-64.3	-173.6	177.2	-174.2	0	113.1	V214 I220	V214-K216 PolarHBondContact O-N 2.8Å; K216-I220 VanDerWaalsContact O-CD1 3.28Å; K216-I220 WeakPolarHBondContact O-CD1 3.28Å; K216-I220 VanDerWaalsContact O-CG1 3.24Å; K216-I220 WeakPolarHBondContact O-CG1 3.26Å; K216-I220 PolarHBondContact O-N 3.27Å
217	V	43.2	Very low	45.8	Very low	99 Å²	99	87.2 Å²	87.2	60%	0.6	45%	0.45	S	S	*	.	H	α-helix	trans	-78.3	-36.4	-178.9	-179.3	0	0	0	0	111.5	S215 I220 S221	S215-V217 PolarHBondContact O-N 2.97Å; S215-V217 PolarHBondContact OG-N 2.81Å; V217-I220 PolarHBondContact O-N 3.13Å; V217-S221 WeakPolarHBondContact O-CB 3.39Å; V217-S221 PolarHBondContact O-N 3.12Å; V217-S221 PolarHBondContact O-OG 3.09Å
218	D	43.7	Very low	44.8	Very low	77 Å²	77	88.3 Å²	88.3	41%	0.412	46%	0.456	S	S	.	.	H	α-helix	trans	-76.4	-39.1	-176.9	-56	-65	0	0	0	110.8	S215 I220 S221 Q222	S215-D218 WeakPolarHBondContact CB-OD2 3.34Å; S215-D218 PolarHBondContact OG-OD2 3.23Å; D218-I220 VanDerWaalsContact C-N 3.33Å; D218-I220 PolarHBondContact O-N 2.8Å; D218-S221 CarbonylContact O-C 3.56Å; D218-S221 WeakPolarHBondContact O-CA 3.43Å; D218-S221 WeakPolarHBondContact O-CB 3.19Å; D218-S221 PolarHBondContact O-N 3.35Å; D218-Q222 PolarHBondContact O-N 3.46Å
219	L	46.5	Very low	44.1	Very low	29 Å²	29	87 Å²	87	15%	0.152	46%	0.458	C	S	.	.	H	α-helix	trans	-57.6	-43	170.2	-159.5	92	0	0	0	112.4	F173 L204 S221 Q222 L223	F173-L219 HydrophobicContact CD1-CD1 4.46Å; F173-L219 HydrophobicContact CE1-CD1 3.75Å; F173-L219 HydrophobicContact CE2-CD1 3.99Å; F173-L219 HydrophobicContact CZ-CD1 3.48Å; F173-L219 VanDerWaalsContact CZ-CD1 3.48Å; L204-L219 HydrophobicContact CD1-CD1 4.25Å; L204-L219 HydrophobicContact CD2-CD1 3.88Å; L204-L219 HydrophobicContact CD2-CD2 3.51Å; L204-L219 HydrophobicContact CD2-CG 4.34Å; L219-S221 VanDerWaalsContact C-N 3.26Å; L219-S221 PolarHBondContact O-N 2.81Å; L219-Q222 PolarHBondContact O-N 3.02Å; L219-L223 HydrophobicContact CD2-CD1 3.91Å; L219-L223 HydrophobicContact CG-CD1 3.93Å; L219-L223 VanDerWaalsContact O-CB 3.27Å; L219-L223 WeakPolarHBondContact O-CB 3.49Å; L219-L223 VanDerWaalsContact O-CG 3.29Å; L219-L223 WeakPolarHBondContact O-CG 3.4Å; L219-L223 PolarHBondContact O-N 2.8Å
220	I	45	Very low	43.3	Very low	70 Å²	70	90.9 Å²	90.9	36%	0.359	47%	0.469	S	S	.	.	H	α-helix	trans	-65.9	-32.2	174.9	-69.3	167.6	0	0	0	111	K216 V217 D218 K224 I236	K216-I220 VanDerWaalsContact O-CD1 3.28Å; K216-I220 WeakPolarHBondContact O-CD1 3.28Å; K216-I220 VanDerWaalsContact O-CG1 3.24Å; K216-I220 WeakPolarHBondContact O-CG1 3.26Å; K216-I220 PolarHBondContact O-N 3.27Å; V217-I220 PolarHBondContact O-N 3.13Å; D218-I220 VanDerWaalsContact C-N 3.33Å; D218-I220 PolarHBondContact O-N 2.8Å; I220-K224 WeakPolarHBondContact O-CB 3.12Å; I220-K224 WeakPolarHBondContact O-CG 3.11Å; I220-K224 PolarHBondContact O-N 3.11Å; I220-I236 HydrophobicContact CD1-CG2 3.65Å; I220-I236 HydrophobicContact CG1-CG2 4.2Å
221	S	49.8	Very low	42.6	Very low	51 Å²	51	89.9 Å²	89.9	36%	0.357	47%	0.474	S	S	.	.	H	α-helix	trans	-75.9	-34.1	179.9	-60.6	0	0	0	0	112.8	V217 D218 L219	V217-S221 WeakPolarHBondContact O-CB 3.39Å; V217-S221 PolarHBondContact O-N 3.12Å; V217-S221 PolarHBondContact O-OG 3.09Å; D218-S221 CarbonylContact O-C 3.56Å; D218-S221 WeakPolarHBondContact O-CA 3.43Å; D218-S221 WeakPolarHBondContact O-CB 3.19Å; D218-S221 PolarHBondContact O-N 3.35Å; L219-S221 VanDerWaalsContact C-N 3.26Å; L219-S221 PolarHBondContact O-N 2.81Å
222	Q	48.5	Very low	42.1	Very low	50 Å²	50	90.7 Å²	90.7	23%	0.234	46%	0.463	C	S	.	.	H	α-helix	trans	-72.7	-42.8	169.3	-64.5	-176.7	8.9	0	0	111.8	E174 D218 L219 K224	E174-Q222 PolarHBondContact OE1-NE2 3.06Å; D218-Q222 PolarHBondContact O-N 3.46Å; L219-Q222 PolarHBondContact O-N 3.02Å; Q222-K224 VanDerWaalsContact C-N 3.32Å; Q222-K224 PolarHBondContact O-N 3.25Å
223	L	46.2	Very low	41.4	Very low	36 Å²	36	92.9 Å²	92.9	19%	0.188	47%	0.472	C	S	.	.	H	α-helix	trans	-74.6	-14.4	-179.1	-70.6	171.2	0	0	0	114.6	L219 W225 V226	L219-L223 HydrophobicContact CD2-CD1 3.91Å; L219-L223 HydrophobicContact CG-CD1 3.93Å; L219-L223 VanDerWaalsContact O-CB 3.27Å; L219-L223 WeakPolarHBondContact O-CB 3.49Å; L219-L223 VanDerWaalsContact O-CG 3.29Å; L219-L223 WeakPolarHBondContact O-CG 3.4Å; L219-L223 PolarHBondContact O-N 2.8Å; L223-W225 PolarHBondContact O-N 2.67Å; L223-V226 PolarHBondContact O-N 3.21Å
224	K	39	Very low	41	Very low	152 Å²	152	93.4 Å²	93.4	66%	0.661	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-21.3	179.5	-109.9	173.4	-171.5	164.9	0	115.1	I220 Q222 V226	I220-K224 WeakPolarHBondContact O-CB 3.12Å; I220-K224 WeakPolarHBondContact O-CG 3.11Å; I220-K224 PolarHBondContact O-N 3.11Å; Q222-K224 VanDerWaalsContact C-N 3.32Å; Q222-K224 PolarHBondContact O-N 3.25Å; K224-V226 VanDerWaalsContact C-N 3.26Å; K224-V226 PolarHBondContact O-N 3.15Å
225	W	38.6	Very low	40.4	Very low	190 Å²	190	97.4 Å²	97.4	72%	0.72	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.4	177.4	-60.5	101.7	0	0	0	113.9	L223	L223-W225 PolarHBondContact O-N 2.67Å
226	V	40	Very low	39.7	Very low	31 Å²	31	99 Å²	99	19%	0.188	48%	0.48	C	S	.	.	S	Bend	trans	-106.3	125.2	175	-176.5	0	0	0	0	109	W185 L223 K224 L228	W185-V226 HydrophobicContact CZ2-CG2 3.98Å; L223-V226 PolarHBondContact O-N 3.21Å; K224-V226 VanDerWaalsContact C-N 3.26Å; K224-V226 PolarHBondContact O-N 3.15Å; V226-L228 HydrophobicContact CG1-CD2 4.28Å; V226-L228 PolarHBondContact O-N 3.01Å
227	K	35.3	Very low	39.3	Very low	207 Å²	207	96.2 Å²	96.2	90%	0.9	48%	0.48	S	S	*	.			trans	-65.6	101	161	-84.5	-172.6	174.8	179.2	0	107.9
228	L	33.6	Very low	38.9	Very low	34 Å²	34	98.2 Å²	98.2	18%	0.178	48%	0.481	C	S	.	.			trans	-65.9	151.2	176.1	-67.7	179	0	0	0	110.3	V226 R230 L232 E233 I236	V226-L228 HydrophobicContact CG1-CD2 4.28Å; V226-L228 PolarHBondContact O-N 3.01Å; L228-R230 PolarHBondContact O-N 3.38Å; L228-L232 HydrophobicContact CD1-CD2 4.38Å; L228-L232 HydrophobicContact CD2-CD2 4.11Å; L228-E233 HydrophobicContact CB-CG 3.86Å; L228-E233 HydrophobicContact CD1-CG 4.49Å; L228-I236 HydrophobicContact CD1-CD1 4.06Å
229	P	36.2	Very low	38.3	Very low	90 Å²	90	98 Å²	98	58%	0.584	50%	0.496	S	S	*	.			trans	-58.9	134.3	165.3	-20.8	33.1	0	0	0	109.5	A231 L232	P229-A231 PolarHBondContact O-N 2.86Å; P229-L232 PolarHBondContact O-N 2.86Å
230	R	31.7	Very low	37.5	Very low	213 Å²	213	102.5 Å²	102.5	80%	0.804	53%	0.527	S	S	*	.	H	α-helix	trans	-54.9	-14	-177.6	-71.1	180	172.8	173.6	-3.4	115.3	L228	L228-R230 PolarHBondContact O-N 3.38Å
231	A	32.7	Very low	36.5	Very low	72 Å²	72	110.5 Å²	110.5	60%	0.595	55%	0.553	S	S	*	*	H	α-helix	trans	-71	-46	169.9	0	0	0	0	0	112	P229 K234 E235	P229-A231 PolarHBondContact O-N 2.86Å; A231-K234 WeakPolarHBondContact O-CB 3.21Å; A231-K234 PolarHBondContact O-N 3.36Å; A231-E235 PolarHBondContact O-N 3.37Å
232	L	34.4	Very low	36.1	Very low	79 Å²	79	112.8 Å²	112.8	41%	0.414	57%	0.567	S	S	.	*	H	α-helix	trans	-73.6	-31.5	-176	-157.2	73.2	0	0	0	112.2	L228 P229 K234 E235 I236	L228-L232 HydrophobicContact CD1-CD2 4.38Å; L228-L232 HydrophobicContact CD2-CD2 4.11Å; P229-L232 PolarHBondContact O-N 2.86Å; L232-K234 PolarHBondContact O-N 3.31Å; L232-E235 PolarHBondContact O-N 3.34Å; L232-I236 HydrophobicContact CG-CD1 4.38Å; L232-I236 WeakPolarHBondContact O-CG1 3.41Å; L232-I236 PolarHBondContact O-N 3.41Å
233	E	33.6	Very low	35	Very low	99 Å²	99	119 Å²	119	46%	0.463	60%	0.596	S	S	.	*	H	α-helix	trans	-58.9	-38.4	170	-60.9	179.7	137	0	0	111.4	L228 S237	L228-E233 HydrophobicContact CB-CG 3.86Å; L228-E233 HydrophobicContact CD1-CG 4.49Å; E233-S237 WeakPolarHBondContact O-CB 3.5Å; E233-S237 PolarHBondContact O-N 2.83Å; E233-S237 VanDerWaalsContact O-N 3.1Å; E233-S237 PolarHBondContact O-OG 3.19Å
234	K	37.4	Very low	34.2	Very low	139 Å²	139	124.7 Å²	124.7	60%	0.604	63%	0.626	S	S	*	*	H	α-helix	trans	-74	-23.5	175.9	-85.4	-176.6	171.4	-176.6	0	114.5	A231 L232 S237 K238	A231-K234 WeakPolarHBondContact O-CB 3.21Å; A231-K234 PolarHBondContact O-N 3.36Å; L232-K234 PolarHBondContact O-N 3.31Å; K234-S237 PolarHBondContact O-OG 3.08Å; K234-K238 VanDerWaalsContact O-CD 3.3Å; K234-K238 WeakPolarHBondContact O-CD 3.4Å; K234-K238 VanDerWaalsContact O-CG 3.24Å; K234-K238 WeakPolarHBondContact O-CG 3.16Å
235	E	37.6	Very low	33.6	Very low	125 Å²	125	126.6 Å²	126.6	58%	0.584	64%	0.637	S	S	*	*	H	α-helix	trans	-76.6	-47.6	173	-69.7	-63.8	103.1	0	0	110.3	A231 L232 S237 K238	A231-E235 PolarHBondContact O-N 3.37Å; L232-E235 PolarHBondContact O-N 3.34Å; E235-S237 VanDerWaalsContact C-N 3.27Å; E235-S237 PolarHBondContact O-N 3.41Å; E235-K238 PolarHBondContact O-N 3.23Å; E235-K238 VanDerWaalsContact O-N 3.12Å
236	I	35.9	Very low	33.2	Very low	85 Å²	85	122.4 Å²	122.4	44%	0.436	64%	0.637	S	S	.	*	H	α-helix	trans	-64	-33.4	179.3	-64	168.4	0	0	0	111.1	I220 L228 L232 K238	I220-I236 HydrophobicContact CD1-CG2 3.65Å; I220-I236 HydrophobicContact CG1-CG2 4.2Å; L228-I236 HydrophobicContact CD1-CD1 4.06Å; L232-I236 HydrophobicContact CG-CD1 4.38Å; L232-I236 WeakPolarHBondContact O-CG1 3.41Å; L232-I236 PolarHBondContact O-N 3.41Å; I236-K238 PolarHBondContact O-N 2.86Å
237	S	35.9	Very low	32.8	Very low	92 Å²	92	130.1 Å²	130.1	64%	0.643	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	6.8	176.7	82.8	0	0	0	0	115	E233 K234 E235	E233-S237 WeakPolarHBondContact O-CB 3.5Å; E233-S237 PolarHBondContact O-N 2.83Å; E233-S237 VanDerWaalsContact O-N 3.1Å; E233-S237 PolarHBondContact O-OG 3.19Å; K234-S237 PolarHBondContact O-OG 3.08Å; E235-S237 VanDerWaalsContact C-N 3.27Å; E235-S237 PolarHBondContact O-N 3.41Å
238	K	35.2	Very low	32.9	Very low	142 Å²	142	124.1 Å²	124.1	62%	0.617	65%	0.647	S	S	*	*			trans	-120.7	55.1	-175.2	-76.1	-179.5	179.6	-177.9	0	113.6	K234 E235 I236 P240	K234-K238 VanDerWaalsContact O-CD 3.3Å; K234-K238 WeakPolarHBondContact O-CD 3.4Å; K234-K238 VanDerWaalsContact O-CG 3.24Å; K234-K238 WeakPolarHBondContact O-CG 3.16Å; E235-K238 PolarHBondContact O-N 3.23Å; E235-K238 VanDerWaalsContact O-N 3.12Å; I236-K238 PolarHBondContact O-N 2.86Å; K238-P240 WeakPolarHBondContact O-CD 3.49Å
239	G	31.2	Very low	32.7	Very low	72 Å²	72	130.5 Å²	130.5	74%	0.742	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-75.4	117.4	157.8	0	0	0	0	0	110.2
240	P	29.3	Very low	32.4	Very low	124 Å²	124	132.9 Å²	132.9	81%	0.805	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-85.1	138.8	-172.6	32.1	-34.5	0	0	0	113.6	K238	K238-P240 WeakPolarHBondContact O-CD 3.49Å
241	R	24.9	Very low	32.2	Very low	237 Å²	237	127 Å²	127	89%	0.894	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-85.4	156.7	136.9	-118	-157.1	171.4	-153.9	-2.1	107.9
242	P	40.3	Very low	32.1	Very low	99 Å²	99	126.9 Å²	126.9	64%	0.643	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-77.7	143.3	-165.1	32.5	-35.6	0	0	0	112.5
243	E	25.1	Very low	31.8	Very low	182 Å²	182	130.1 Å²	130.1	85%	0.85	68%	0.678	S	S	*	*				-164.3	-168.3	110.4	-99.9	154.9	-138.9	0	0	109
244	D	30.6	Very low	31.5	Very low	154 Å²	154	128.7 Å²	128.7	82%	0.824	67%	0.672	S	S	*	*			trans	-69.1	167.6	-154.5	-82.2	-68.2	0	0	0	118.4
245	E	25.6	Very low	31.1	Very low	192 Å²	192	128.7 Å²	128.7	90%	0.897	67%	0.674	S	S	*	*			trans	71.9	142.4	174.3	-52	-170.2	163.5	0	0	116.8
246	S	31.3	Very low	30.5	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	68%	0.677	S	S	*	*			cis	-127.7	149	2.3	64.2	0	0	0	0	111.7
247	R	31.9	Very low	30.1	Very low	193 Å²	193	132.6 Å²	132.6	73%	0.728	69%	0.692	S	S	*	*			trans	-103.8	6.1	-162.5	-156.3	169.8	-178.1	140.6	-3.7	114.8
248	S	37.4	Very low	29.6	Very low	81 Å²	81	131.2 Å²	131.2	57%	0.566	68%	0.68	S	S	*	*	H	α-helix	trans	-76.9	-35.1	-159.5	41	0	0	0	0	116.1	A252	S248-A252 PolarHBondContact O-N 3.21Å
249	E	28.9	Very low	29.4	Very low	167 Å²	167	130.5 Å²	130.5	78%	0.78	68%	0.682	S	S	*	*	H	α-helix	trans	-87.7	-34.3	-169.4	-62.5	-171.4	155.9	0	0	113.4	A252 F253	E249-A252 PolarHBondContact O-N 3.28Å; E249-F253 PolarHBondContact O-N 2.82Å; E249-F253 VanDerWaalsContact O-N 3.15Å
250	L	29.1	Very low	29.2	Very low	140 Å²	140	130.3 Å²	130.3	73%	0.733	66%	0.662	S	S	*	*	H	α-helix	trans	-67.1	-39.3	175.2	-118.9	83.4	0	0	0	112	F253 M254	L250-F253 PolarHBondContact O-N 2.28Å; L250-M254 VanDerWaalsContact O-CB 3.24Å; L250-M254 WeakPolarHBondContact O-CB 3.45Å; L250-M254 WeakPolarHBondContact O-CG 3.39Å; L250-M254 PolarHBondContact O-N 3.16Å
251	D	28.4	Very low	29.1	Very low	91 Å²	91	133.4 Å²	133.4	49%	0.487	66%	0.662	S	S	.	*	H	α-helix	trans	-67.2	-37.7	178.2	-76.7	-12.8	0	0	0	111	F253 M254 E255	D251-F253 PolarHBondContact O-N 2.8Å; D251-M254 PolarHBondContact O-N 2.91Å; D251-E255 PolarHBondContact O-N 3.4Å
252	A	29.7	Very low	29.2	Very low	69 Å²	69	125.5 Å²	125.5	57%	0.57	64%	0.641	S	S	*	*	H	α-helix	trans	-63.7	-38.7	174.3	0	0	0	0	0	113.2	S248 E249	S248-A252 PolarHBondContact O-N 3.21Å; E249-A252 PolarHBondContact O-N 3.28Å
253	F	28.2	Very low	28.6	Very low	147 Å²	147	124.6 Å²	124.6	65%	0.645	63%	0.633	S	S	*	*	H	α-helix	trans	-75.5	-32.3	175.2	-165.2	-101.6	0	0	0	112.4	E249 L250 D251	E249-F253 PolarHBondContact O-N 2.82Å; E249-F253 VanDerWaalsContact O-N 3.15Å; L250-F253 PolarHBondContact O-N 2.28Å; D251-F253 PolarHBondContact O-N 2.8Å
254	M	27.7	Very low	28.8	Very low	69 Å²	69	125 Å²	125	34%	0.34	64%	0.635	S	S	.	*	H	α-helix	trans	-75.6	-27.7	178.3	-76.3	-80	-80.5	0	0	113.4	L250 D251 D256 F257 T258	L250-M254 VanDerWaalsContact O-CB 3.24Å; L250-M254 WeakPolarHBondContact O-CB 3.45Å; L250-M254 WeakPolarHBondContact O-CG 3.39Å; L250-M254 PolarHBondContact O-N 3.16Å; D251-M254 PolarHBondContact O-N 2.91Å; M254-D256 PolarHBondContact O-N 2.89Å; M254-F257 PolarHBondContact O-N 3.09Å; M254-T258 HydrophobicContact CB-CG2 4.18Å; M254-T258 HydrophobicContact CE-CG2 3.85Å; M254-T258 VanDerWaalsContact O-CB 3.29Å; M254-T258 WeakPolarHBondContact O-CB 3.42Å; M254-T258 VanDerWaalsContact O-CG2 3.26Å; M254-T258 WeakPolarHBondContact O-CG2 3.21Å; M254-T258 PolarHBondContact O-N 3.32Å; M254-T258 PolarHBondContact O-OG1 3.21Å; M254-T258 HydrophobicContact SD-CG2 4.38Å
255	E	28.4	Very low	28.6	Very low	139 Å²	139	120 Å²	120	65%	0.65	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-28.2	177.6	-83.7	-134.3	120.8	0	0	113.5	D251 K261	D251-E255 PolarHBondContact O-N 3.4Å; E255-K261 IonicContact OE1-NZ 3.3Å
256	D	26.4	Very low	28.9	Very low	122 Å²	122	113.9 Å²	113.9	65%	0.652	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-11.9	179.4	-131	28	0	0	0	113.4	M254	M254-D256 PolarHBondContact O-N 2.89Å
257	F	26.9	Very low	28.5	Very low	170 Å²	170	117.1 Å²	117.1	75%	0.746	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	-10.5	177.5	-112.1	-93.5	0	0	0	115.2	M254 L259	M254-F257 PolarHBondContact O-N 3.09Å; F257-L259 PolarHBondContact O-N 3.11Å
258	T	24.6	Very low	28.3	Very low	62 Å²	62	111.4 Å²	111.4	38%	0.38	57%	0.574	S	S	.	*			trans	-77.1	90.4	176.8	45.3	0	0	0	0	111.9	M254 E260	M254-T258 HydrophobicContact CB-CG2 4.18Å; M254-T258 HydrophobicContact CE-CG2 3.85Å; M254-T258 VanDerWaalsContact O-CB 3.29Å; M254-T258 WeakPolarHBondContact O-CB 3.42Å; M254-T258 VanDerWaalsContact O-CG2 3.26Å; M254-T258 WeakPolarHBondContact O-CG2 3.21Å; M254-T258 PolarHBondContact O-N 3.32Å; M254-T258 PolarHBondContact O-OG1 3.21Å; M254-T258 HydrophobicContact SD-CG2 4.38Å; T258-E260 PolarHBondContact O-N 2.94Å
259	L	32.3	Very low	27.7	Very low	128 Å²	128	113.6 Å²	113.6	67%	0.67	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-64.4	23.4	174.4	-117.7	99.2	0	0	0	115.1	F257 T262	F257-L259 PolarHBondContact O-N 3.11Å; L259-T262 VanDerWaalsContact C-OG1 3.27Å; L259-T262 WeakPolarHBondContact CA-OG1 3.41Å; L259-T262 WeakPolarHBondContact CD2-OG1 3.26Å; L259-T262 WeakPolarHBondContact CG-OG1 3.03Å; L259-T262 PolarHBondContact O-OG1 2.84Å
260	E	27.1	Very low	27.5	Very low	68 Å²	68	111.1 Å²	111.1	32%	0.318	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-83.2	-19	176.6	-65.7	-158.4	157.2	0	0	113.3	T258 T262 V263 H631 S632	T258-E260 PolarHBondContact O-N 2.94Å; E260-T262 PolarHBondContact O-N 3.18Å; E260-V263 VanDerWaalsContact O-CG2 3.26Å; E260-V263 WeakPolarHBondContact O-CG2 3.28Å; E260-H631 IonicContact OE2-CE1 3.38Å; E260-H631 IonicContact OE2-CG 3.76Å; E260-H631 IonicContact OE2-ND1 2.65Å; E260-H631 PolarHBondContact OE2-ND1 3.45Å; E260-S632 VanDerWaalsContact OE1-CB 3.26Å; E260-S632 WeakPolarHBondContact OE1-CB 3.45Å; E260-S632 PolarHBondContact OE1-N 3.04Å; E260-S632 PolarHBondContact OE1-OG 3.34Å
261	K	26.3	Very low	27.5	Very low	188 Å²	188	107.6 Å²	107.6	82%	0.817	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-81	4.7	167.3	-83.4	169.2	-174	152.6	0	114.1	E255	E255-K261 IonicContact OE1-NZ 3.3Å
262	T	27.9	Very low	27.3	Very low	71 Å²	71	113.9 Å²	113.9	44%	0.436	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-100.7	3.6	170.2	26	0	0	0	0	114.5	L259 E260 E264 Y265	L259-T262 VanDerWaalsContact C-OG1 3.27Å; L259-T262 WeakPolarHBondContact CA-OG1 3.41Å; L259-T262 WeakPolarHBondContact CD2-OG1 3.26Å; L259-T262 WeakPolarHBondContact CG-OG1 3.03Å; L259-T262 PolarHBondContact O-OG1 2.84Å; E260-T262 PolarHBondContact O-N 3.18Å; T262-E264 PolarHBondContact O-N 2.9Å; T262-Y265 PolarHBondContact O-N 3.26Å
263	V	27.1	Very low	26.9	Very low	81 Å²	81	114.2 Å²	114.2	49%	0.491	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-64.9	-20.3	-178.1	174.8	0	0	0	0	113	E260 Y265 F267	E260-V263 VanDerWaalsContact O-CG2 3.26Å; E260-V263 WeakPolarHBondContact O-CG2 3.28Å; V263-Y265 VanDerWaalsContact C-N 3.29Å; V263-Y265 PolarHBondContact O-N 3.33Å; V263-F267 HydrophobicContact CG1-CE2 4.29Å
264	E	28.5	Very low	26.8	Very low	189 Å²	189	113.8 Å²	113.8	88%	0.883	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-81.2	2.8	171	-107.6	-179.1	-178.1	0	0	114.6	T262	T262-E264 PolarHBondContact O-N 2.9Å
265	Y	27.5	Very low	26.6	Very low	51 Å²	51	120.5 Å²	120.5	20%	0.2	63%	0.628	C	S	.	*	G	3₁₀ helix	trans	-131.6	27.9	-179.6	-154.8	-105.5	0	0	0	116.8	T262 V263 R573	T262-Y265 PolarHBondContact O-N 3.26Å; V263-Y265 VanDerWaalsContact C-N 3.29Å; V263-Y265 PolarHBondContact O-N 3.33Å; Y265-R573 HydrophobicContact CE1-CB 3.62Å; Y265-R573 HydrophobicContact CE1-CG 4.06Å; Y265-R573 HydrophobicContact CE2-CG 4.33Å; Y265-R573 WeakPolarHBondContact OH-CB 3.21Å; Y265-R573 WeakPolarHBondContact OH-CD 3.41Å; Y265-R573 VanDerWaalsContact OH-CG 3.25Å; Y265-R573 WeakPolarHBondContact OH-CG 3.39Å; Y265-R573 PolarHBondContact OH-N 2.84Å
266	C	30.6	Very low	26.4	Very low	62 Å²	62	118.6 Å²	118.6	42%	0.419	64%	0.637	S	S	.	*			trans	-152.3	76.5	157.8	-100.1	0	0	0	0	111.7	R580	C266-R580 PolarHBondContact SG-NH2 2.88Å
267	F	24.4	Very low	26.3	Very low	172 Å²	172	121.2 Å²	121.2	75%	0.754	65%	0.645	S	S	*	*			trans	-117	146.6	153.1	-80.9	-82.1	0	0	0	108.8	V263	V263-F267 HydrophobicContact CG1-CE2 4.29Å
268	S	27.3	Very low	26	Very low	73 Å²	73	122.4 Å²	122.4	51%	0.51	65%	0.65	S	S	.	*			trans	-66.2	140.3	167	-69.7	0	0	0	0	109.5	D270	S268-D270 VanDerWaalsContact CB-CG 3.42Å; S268-D270 WeakPolarHBondContact CB-OD1 3.36Å; S268-D270 WeakPolarHBondContact CB-OD2 3.37Å; S268-D270 PolarHBondContact O-N 3.28Å
269	D	24.3	Very low	26.1	Very low	127 Å²	127	126.9 Å²	126.9	68%	0.679	67%	0.667	S	S	*	*			trans	-72.9	58.4	169.3	-66.7	-56.2	0	0	0	110.4	G271 K561	D269-G271 PolarHBondContact O-N 2.75Å; D269-K561 IonicContact OD2-NZ 3.04Å; D269-K561 PolarHBondContact OD2-NZ 3.01Å
270	D	24.4	Very low	25.8	Very low	115 Å²	115	128.8 Å²	128.8	62%	0.615	67%	0.67	S	S	*	*			trans	-92.6	86.6	174.6	-54.2	-25	0	0	0	106.8	S268 K570	S268-D270 VanDerWaalsContact CB-CG 3.42Å; S268-D270 WeakPolarHBondContact CB-OD1 3.36Å; S268-D270 WeakPolarHBondContact CB-OD2 3.37Å; S268-D270 PolarHBondContact O-N 3.28Å; D270-K570 IonicContact OD1-NZ 3.12Å; D270-K570 PolarHBondContact OD1-NZ 3.2Å
271	G	30	Very low	25.7	Very low	66 Å²	66	136.7 Å²	136.7	68%	0.68	70%	0.697	S	S	*	*			trans	-84	117.3	-146	0	0	0	0	0	118.1	D269	D269-G271 PolarHBondContact O-N 2.75Å
272	Y	24.1	Very low	25.7	Very low	222 Å²	222	135.8 Å²	135.8	87%	0.871	70%	0.695	S	S	*	*			trans	-135	120.7	149.6	-66.4	-82.7	0	0	0	108.4
273	G	22.4	Very low	25.6	Very low	77 Å²	77	136 Å²	136	79%	0.794	71%	0.712	S	S	*	*			trans	-114.6	125.2	-165.2	0	0	0	0	0	114.6
274	L	25.6	Very low	25.6	Very low	137 Å²	137	142.3 Å²	142.3	72%	0.717	73%	0.732	S	S	*	*			trans	-133.4	123.4	155.2	-76.2	176.3	0	0	0	108.6	E650	L274-E650 HydrophobicContact CD1-CG 4.21Å
275	K	22.1	Very low	25.3	Very low	210 Å²	210	139 Å²	139	91%	0.913	73%	0.73	S	S	*	*			trans	-90.5	130.6	171.8	-72.9	-179.8	176.9	178.4	0	109
276	A	25.3	Very low	25.3	Very low	100 Å²	100	145.7 Å²	145.7	83%	0.826	76%	0.761	S	S	*	*			trans	-112.3	118.4	165.3	0	0	0	0	0	108.9
277	E	23.6	Very low	25.1	Very low	177 Å²	177	151.3 Å²	151.3	83%	0.827	78%	0.778	S	S	*	*			trans	-80.4	142.3	175.2	-62.1	-170.6	133.4	0	0	110.8
278	F	21.9	Very low	25.1	Very low	194 Å²	194	149.1 Å²	149.1	85%	0.851	77%	0.774	S	S	*	*			trans	-120.3	86.9	178.7	-155	-83.7	0	0	0	111.3	K280	F278-K280 PolarHBondContact O-N 3.14Å
279	Q	25.8	Very low	25.1	Very low	157 Å²	157	154.7 Å²	154.7	73%	0.734	79%	0.791	S	S	*	*			trans	-70.4	115.1	176.5	-70.2	-173.7	-3.8	0	0	111.4	R281	Q279-R281 PolarHBondContact O-N 3.19Å
280	K	26.2	Very low	25.1	Very low	168 Å²	168	154.1 Å²	154.1	73%	0.73	80%	0.797	S	S	*	*			trans	-79	104.1	165.9	-73.9	-170.7	174.2	-171.2	0	110.5	F278 H282	F278-K280 PolarHBondContact O-N 3.14Å; K280-H282 PolarHBondContact O-N 2.83Å
281	R	25.2	Very low	25.3	Very low	233 Å²	233	157.1 Å²	157.1	88%	0.879	81%	0.805	S	S	*	*			trans	-73.6	105.3	164.7	-71	-174.6	179.1	-176.5	0.3	109.8	Q279	Q279-R281 PolarHBondContact O-N 3.19Å
282	H	26.1	Very low	25.1	Very low	169 Å²	169	161.9 Å²	161.9	78%	0.782	81%	0.809	S	S	*	*			trans	-91	99.3	160.7	-85.8	-80.2	0	0	0	109.3	K280	K280-H282 PolarHBondContact O-N 2.83Å
283	G	24.8	Very low	25.1	Very low	77 Å²	77	157 Å²	157	79%	0.794	81%	0.808	S	S	*	*			trans	-73.2	124.7	165.7	0	0	0	0	0	109.9
284	K	26.7	Very low	25.2	Very low	212 Å²	212	157.6 Å²	157.6	92%	0.922	80%	0.8	S	S	*	*			trans	-81.6	140	164.1	-72.2	176.4	177.7	173.5	0	108.6
285	S	23.7	Very low	25.1	Very low	120 Å²	120	158.8 Å²	158.8	84%	0.839	80%	0.802	S	S	*	*			trans	-132.4	154.4	146.1	-161.9	0	0	0	0	109.5
286	K	26.9	Very low	25.2	Very low	192 Å²	192	156 Å²	156	84%	0.835	79%	0.792	S	S	*	*			trans	-130.6	172.5	172.3	-96.4	-165.6	171.7	-166	0	106.9
287	K	26.2	Very low	25.1	Very low	180 Å²	180	163.1 Å²	163.1	78%	0.783	80%	0.797	S	S	*	*			trans	89.2	144.7	177.5	-56.9	-170.3	144.7	-109.8	0	115.2
288	D	24.6	Very low	25.3	Very low	125 Å²	125	163.2 Å²	163.2	67%	0.668	80%	0.795	S	S	*	*			cis	-154.8	179.1	-20.3	-97.6	-25.7	0	0	0	108.2
289	H	26.8	Very low	25.4	Very low	190 Å²	190	161 Å²	161	88%	0.88	79%	0.792	S	S	*	*			trans	-86.8	140	-171	-70.9	-94	0	0	0	116.5
290	S	25.2	Very low	25.5	Very low	115 Å²	115	158.2 Å²	158.2	80%	0.804	79%	0.79	S	S	*	*			trans	-176.6	132.8	132.5	44.9	0	0	0	0	108.5
291	K	28.6	Very low	25.4	Very low	179 Å²	179	157.4 Å²	157.4	78%	0.778	79%	0.793	S	S	*	*			cis	89.8	105.7	47.4	-89.4	-159.8	169.1	-167	0	115
292	Q	25.7	Very low	25.5	Very low	165 Å²	165	151.1 Å²	151.1	77%	0.771	79%	0.785	S	S	*	*			trans	44.9	121.9	138.2	-58.5	168.5	-92.6	0	0	120.1
293	S	23.3	Very low	25.5	Very low	119 Å²	119	151.7 Å²	151.7	83%	0.832	79%	0.785	S	S	*	*				-174.2	161.8	100.8	-160.5	0	0	0	0	112.8
294	S	24.4	Very low	25.4	Very low	90 Å²	90	156.8 Å²	156.8	63%	0.629	79%	0.788	S	S	*	*			trans	-101.3	155	167.2	49.1	0	0	0	0	111.6
295	H	23.3	Very low	25.4	Very low	163 Å²	163	153 Å²	153	76%	0.755	78%	0.784	S	S	*	*				-174.6	170.1	118.7	-108.6	-72.8	0	0	0	113.3
296	E	25.2	Very low	26.3	Very low	151 Å²	151	152.8 Å²	152.8	71%	0.706	78%	0.779	S	S	*	*			trans	-79.4	170.4	-174.4	-40.7	115.4	113	0	0	114.1
297	R	23.7	Very low	26.2	Very low	249 Å²	249	149.4 Å²	149.4	94%	0.94	78%	0.779	S	S	*	*				-161.7	170.2	117.8	-103.2	160.6	-162.6	-144.6	1.6	112
298	K	26.9	Very low	26.1	Very low	180 Å²	180	143.9 Å²	143.9	78%	0.783	77%	0.774	S	S	*	*			trans	-106.6	-168.5	-175.1	-65.5	-179.4	174.6	179.4	0	111.2
299	D	25.2	Very low	26.4	Very low	148 Å²	148	146.9 Å²	146.9	79%	0.791	78%	0.781	S	S	*	*			trans	82.2	140.1	156.3	-45.2	-39.8	0	0	0	114.5
300	S	26	Very low	26.3	Very low	97 Å²	97	144.6 Å²	144.6	68%	0.678	78%	0.775	S	S	*	*			cis	-159.8	162.6	-0.3	47.3	0	0	0	0	111.3
301	D	25.7	Very low	26.2	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	77%	0.774	S	S	*	*			trans	39.7	134.7	143.1	-68	-39.6	0	0	0	121.2
302	S	26.1	Very low	26.1	Very low	101 Å²	101	145.7 Å²	145.7	71%	0.706	77%	0.765	S	S	*	*			cis	178.8	164.5	43.5	31.5	0	0	0	0	114.1
303	K	26	Very low	26.2	Very low	181 Å²	181	144.7 Å²	144.7	79%	0.787	76%	0.761	S	S	*	*			trans	58.8	98.4	145.4	-72.9	175.8	179.5	-179.7	0	122.2
304	E	23.5	Very low	26.2	Very low	184 Å²	184	144.4 Å²	144.4	86%	0.86	75%	0.754	S	S	*	*				62.5	165	109.7	-67.6	-175	134.3	0	0	123.2
305	T	26.1	Very low	26.3	Very low	134 Å²	134	144.2 Å²	144.2	82%	0.822	75%	0.753	S	S	*	*			trans	-115.3	-157.1	-160.9	58.7	0	0	0	0	109.5
306	P	42.5	Very low	26.5	Very low	115 Å²	115	142.8 Å²	142.8	75%	0.747	75%	0.751	S	S	*	*			cis	-147.1	-171.1	8.6	44.3	-22.5	0	0	0	119.2
307	S	25	Very low	26.5	Very low	120 Å²	120	141.6 Å²	141.6	84%	0.839	75%	0.754	S	S	*	*			trans	91.8	134.7	151.2	-153.8	0	0	0	0	118.8
308	G	25	Very low	26.7	Very low	64 Å²	64	134.7 Å²	134.7	66%	0.66	74%	0.739	S	S	*	*			cis	165.3	164.1	-10.3	0	0	0	0	0	115.6
309	K	29.9	Very low	26.7	Very low	189 Å²	189	135.3 Å²	135.3	82%	0.822	74%	0.742	S	S	*	*			trans	53.4	140.1	158.9	-50	-177.5	-175.6	176.7	0	118
310	N	25.1	Very low	26.8	Very low	141 Å²	141	136.8 Å²	136.8	75%	0.754	74%	0.744	S	S	*	*			cis	-141.6	156	30	-69.8	-76.9	0	0	0	109.8
311	F	23.6	Very low	26.8	Very low	178 Å²	178	144.2 Å²	144.2	78%	0.781	76%	0.757	S	S	*	*				56.4	132.4	71.8	-103.2	-141.1	0	0	0	113.5
312	K	26.7	Very low	26.8	Very low	139 Å²	139	145.6 Å²	145.6	60%	0.604	76%	0.756	S	S	*	*			cis	-169.1	150	15.6	-153.4	-175.1	-178.7	-153.1	0	113.9
313	Q	26.7	Very low	26.8	Very low	145 Å²	145	146.9 Å²	146.9	68%	0.678	76%	0.76	S	S	*	*			trans	64	158.6	151.6	-86	170.5	-45.1	0	0	119.6
314	T	24.6	Very low	26.7	Very low	112 Å²	112	148 Å²	148	69%	0.687	76%	0.76	S	S	*	*			cis	-153.7	152.1	6.8	-7.1	0	0	0	0	113.4
315	S	25.7	Very low	26.8	Very low	86 Å²	86	146.1 Å²	146.1	60%	0.601	76%	0.755	S	S	*	*			trans	12.7	153.7	137.6	63.5	0	0	0	0	122.7
316	D	26.5	Very low	26.7	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	75%	0.748	S	S	*	*			cis	-175.2	149.6	-8.6	-107.1	-40.1	0	0	0	113.1
317	T	27.1	Very low	25.9	Very low	125 Å²	125	147.9 Å²	147.9	77%	0.767	75%	0.749	S	S	*	*			trans	63.6	167	143.7	69.6	0	0	0	0	120.7
318	V	26.6	Very low	25.8	Very low	104 Å²	104	150.7 Å²	150.7	63%	0.63	75%	0.751	S	S	*	*			cis	-166.1	147.8	-24.8	136.7	0	0	0	0	110.8
319	K	27.5	Very low	25.7	Very low	194 Å²	194	152 Å²	152	84%	0.843	75%	0.75	S	S	*	*			trans	60.3	165.2	164	-76.5	156	-159.4	167.6	0	118.7
320	H	26.1	Very low	25.5	Very low	179 Å²	179	151.1 Å²	151.1	83%	0.829	75%	0.749	S	S	*	*			cis	161.7	116.2	-30	-146.6	89.9	0	0	0	107.4
321	R	25.9	Very low	25.4	Very low	252 Å²	252	154.3 Å²	154.3	95%	0.951	75%	0.75	S	S	*	*			trans	-166.3	162.7	151.8	-120.7	177.9	179.3	-176.4	-1.2	114
322	K	26.8	Very low	25.5	Very low	180 Å²	180	150.1 Å²	150.1	78%	0.783	74%	0.743	S	S	*	*			trans	-101.4	156.6	178.6	-52.9	168.9	178.8	175.6	0	110.2
323	T	25.8	Very low	25.5	Very low	129 Å²	129	152.1 Å²	152.1	79%	0.791	75%	0.752	S	S	*	*				176.4	126.6	115.2	34.4	0	0	0	0	115.3
324	Y	23.2	Very low	25.5	Very low	204 Å²	204	154.6 Å²	154.6	80%	0.8	76%	0.763	S	S	*	*			trans	25.9	136.4	135	-73.8	-84.9	0	0	0	125.2
325	L	26.6	Very low	25.5	Very low	145 Å²	145	152.5 Å²	152.5	76%	0.759	76%	0.764	S	S	*	*			trans	82.6	104.3	138	-65.9	165.4	0	0	0	123.7
326	T	24.8	Very low	25.6	Very low	107 Å²	107	158.7 Å²	158.7	66%	0.656	78%	0.78	S	S	*	*				82.9	134.8	108.7	-61.3	0	0	0	0	123.8
327	K	25.3	Very low	25.5	Very low	178 Å²	178	162 Å²	162	77%	0.774	79%	0.788	S	S	*	*			trans	79.9	105.6	156.9	-85.5	168.1	-171.7	178.4	0	122
328	M	22	Very low	26	Very low	179 Å²	179	161 Å²	161	88%	0.882	78%	0.783	S	S	*	*				62.2	111.1	116.5	-72.8	-177.3	165	0	0	123.1
329	S	22.8	Very low	25.8	Very low	93 Å²	93	165.9 Å²	165.9	65%	0.65	80%	0.797	S	S	*	*				114	142.2	117.3	-149.4	0	0	0	0	120.2
330	H	25.1	Very low	25.6	Very low	169 Å²	169	161.7 Å²	161.7	78%	0.782	79%	0.791	S	S	*	*			trans	65.6	153.2	160.1	-65.7	-31.7	0	0	0	120.3
331	R	24.7	Very low	25.4	Very low	209 Å²	209	162.8 Å²	162.8	79%	0.789	79%	0.794	S	S	*	*			cis	-174.9	124.5	-25.9	178.6	-170.7	-164.7	-165.9	7.9	111.1
332	S	24.8	Very low	25.3	Very low	89 Å²	89	159.2 Å²	159.2	62%	0.622	79%	0.788	S	S	*	*			trans	162.4	128.5	134.2	-78.2	0	0	0	0	110.8
333	K	27.5	Very low	25.1	Very low	182 Å²	182	154.4 Å²	154.4	79%	0.791	78%	0.777	S	S	*	*				64.8	137.9	102.6	-55.4	-179.9	-177.3	178.9	0	113.2
334	E	25.4	Very low	25	Very low	197 Å²	197	159.1 Å²	159.1	92%	0.921	78%	0.782	S	S	*	*			cis	-123.4	174.3	18.3	-53.7	-174.2	142.1	0	0	111.4
335	G	24.9	Very low	24.9	Very low	68 Å²	68	157 Å²	157	70%	0.701	78%	0.784	S	S	*	*			cis	-173.1	-173.9	1.5	0	0	0	0	0	111.4
336	K	27	Very low	24.8	Very low	216 Å²	216	156.7 Å²	156.7	94%	0.939	79%	0.787	S	S	*	*			trans	72.2	113	-179.3	-55.8	-175.7	-178.6	179.8	0	117
337	K	24.8	Very low	24.8	Very low	204 Å²	204	156.9 Å²	156.9	89%	0.887	79%	0.793	S	S	*	*			trans	-134.1	-178.3	167.3	-84.8	-171.1	172.6	-172.1	0	106.2
338	P	37.7	Very low	24.7	Very low	103 Å²	103	159.8 Å²	159.8	67%	0.669	80%	0.8	S	S	*	*				-125.6	-164.3	-57.7	39.6	-24.2	0	0	0	109.2
339	F	22.5	Very low	24.8	Very low	207 Å²	207	160.6 Å²	160.6	91%	0.908	80%	0.798	S	S	*	*			trans	-160.3	168.9	130.8	-118.5	-77.6	0	0	0	111.2
340	S	22.9	Very low	24.9	Very low	105 Å²	105	164.6 Å²	164.6	73%	0.734	81%	0.806	S	S	*	*			trans	-123.7	166.4	-164.6	54.7	0	0	0	0	114.5
341	F	22.2	Very low	24.9	Very low	202 Å²	202	165.9 Å²	165.9	89%	0.886	81%	0.812	S	S	*	*			trans	-55.6	144.7	170.3	-94	-113	0	0	0	113.6
342	H	24.1	Very low	24.7	Very low	177 Å²	177	160.7 Å²	160.7	82%	0.819	81%	0.808	S	S	*	*				-151.8	169.4	123.4	-137	-92.6	0	0	0	113.3
343	S	22.7	Very low	24.8	Very low	80 Å²	80	163.2 Å²	163.2	56%	0.559	82%	0.82	S	S	*	*			trans	-73.8	161.7	-175.5	59.2	0	0	0	0	115.8
344	Y	23.2	Very low	24.7	Very low	227 Å²	227	161.2 Å²	161.2	89%	0.89	81%	0.813	S	S	*	*			trans	-139.2	145.1	140.6	-104	-80	0	0	0	112.8
345	L	22.7	Very low	24.8	Very low	160 Å²	160	159.8 Å²	159.8	84%	0.838	80%	0.804	S	S	*	*			trans	-109.2	146.2	164	-78.8	167.1	0	0	0	108.2
346	V	23.7	Very low	24.9	Very low	138 Å²	138	161.3 Å²	161.3	84%	0.836	80%	0.804	S	S	*	*			trans	-141.2	130.8	161.6	-179.1	0	0	0	0	109.3
347	S	24	Very low	25	Very low	112 Å²	112	161.3 Å²	161.3	78%	0.783	80%	0.798	S	S	*	*			trans	-124.2	130.9	173.8	-56.3	0	0	0	0	109.9
348	R	24.4	Very low	25.1	Very low	239 Å²	239	161.5 Å²	161.5	90%	0.902	80%	0.799	S	S	*	*			trans	-174.9	151.3	167.4	-100	-178.4	-173.8	-163.3	1.2	108.1
349	K	24.1	Very low	24.5	Very low	195 Å²	195	159.5 Å²	159.5	85%	0.848	80%	0.797	S	S	*	*			cis	-160.8	162.2	-27.8	-138.2	-168.7	178.3	-164.6	0	107.2
350	E	24.6	Very low	24.7	Very low	177 Å²	177	156.2 Å²	156.2	83%	0.827	80%	0.8	S	S	*	*			trans	-75.1	156.8	176.3	-57	165.5	128	0	0	112.6
351	H	24.3	Very low	24.8	Very low	197 Å²	197	154.7 Å²	154.7	91%	0.912	80%	0.801	S	S	*	*			trans	-156	155.5	146.1	-118.3	-83.9	0	0	0	111.1
352	S	21.8	Very low	25	Very low	99 Å²	99	152.1 Å²	152.1	69%	0.692	80%	0.796	S	S	*	*			trans	-126.9	147.2	-173.5	174.9	0	0	0	0	112
353	T	26.7	Very low	25.1	Very low	142 Å²	142	150.6 Å²	150.6	87%	0.871	79%	0.79	S	S	*	*			trans	-146	63	170.7	57.5	0	0	0	0	113.2
354	E	24.8	Very low	25.4	Very low	141 Å²	141	153.7 Å²	153.7	66%	0.659	79%	0.793	S	S	*	*				37.6	127.5	125.6	-161.8	166.2	-178.7	0	0	124
355	K	28.7	Very low	25.4	Very low	166 Å²	166	148.7 Å²	148.7	72%	0.722	78%	0.781	S	S	*	*			trans	79	126.4	145.9	-85.3	170.6	-174.9	151.7	0	125
356	S	26.6	Very low	25.6	Very low	101 Å²	101	145 Å²	145	71%	0.706	77%	0.769	S	S	*	*			trans	79.8	151.6	134.8	-68.7	0	0	0	0	119.8
357	R	27.7	Very low	25.7	Very low	216 Å²	216	148.7 Å²	148.7	82%	0.815	77%	0.768	S	S	*	*			cis	-160.4	143.5	11	-131.4	168.1	-172.3	179.5	2	111.6
358	K	27.2	Very low	25.9	Very low	207 Å²	207	151.7 Å²	151.7	90%	0.9	77%	0.769	S	S	*	*			trans	42.7	150.3	152.9	-63.9	179.2	176.2	-170.8	0	121
359	G	25.2	Very low	26	Very low	61 Å²	61	145.5 Å²	145.5	63%	0.629	76%	0.763	S	S	*	*			cis	153.3	156.5	-6	0	0	0	0	0	113.3
360	S	27	Very low	26.1	Very low	138 Å²	138	141.7 Å²	141.7	97%	0.965	76%	0.761	S	S	*	*			trans	61.8	158.6	173.7	52.4	0	0	0	0	118.1
361	G	25.1	Very low	26.1	Very low	73 Å²	73	138.6 Å²	138.6	75%	0.753	76%	0.758	S	S	*	*			cis	-168.4	-179.7	1.2	0	0	0	0	0	113.6
362	N	25.4	Very low	26.3	Very low	148 Å²	148	137.3 Å²	137.3	79%	0.791	76%	0.757	S	S	*	*			trans	-83.2	156.1	-167.4	-70.3	-5.4	0	0	0	116.4
363	E	26.8	Very low	26.4	Very low	146 Å²	146	138.8 Å²	138.8	68%	0.682	76%	0.762	S	S	*	*			trans	64.5	162.1	143.3	-76.7	-175.6	133.2	0	0	118.7
364	K	28.5	Very low	26.3	Very low	145 Å²	145	136.8 Å²	136.8	63%	0.63	76%	0.76	S	S	*	*			cis	-161.7	168	9.8	-131.5	160.8	-172.1	132.5	0	112
365	D	24.6	Very low	26.4	Very low	121 Å²	121	137.9 Å²	137.9	65%	0.647	77%	0.765	S	S	*	*			trans	61.4	167.7	147.4	-76.8	-48.8	0	0	0	121.6
366	S	25.9	Very low	26.3	Very low	82 Å²	82	138.2 Å²	138.2	57%	0.573	77%	0.766	S	S	*	*			cis	-179.7	154.8	-42.2	-99.7	0	0	0	0	111.3
367	R	27.1	Very low	26.3	Very low	217 Å²	217	145 Å²	145	82%	0.819	78%	0.776	S	S	*	*			trans	67.2	160.4	156.8	-71.6	171.6	-135.5	177.9	6.8	118.5
368	H	27.4	Very low	26	Very low	175 Å²	175	141.9 Å²	141.9	81%	0.81	78%	0.776	S	S	*	*			cis	-170.6	163.1	-37.6	-121.3	31.1	0	0	0	112.3
369	S	26	Very low	26.4	Very low	109 Å²	109	137 Å²	137	76%	0.762	77%	0.766	S	S	*	*			trans	73.6	161.7	159.6	92.9	0	0	0	0	117.4
370	S	27.3	Very low	26.7	Very low	115 Å²	115	145.4 Å²	145.4	80%	0.804	78%	0.778	S	S	*	*			cis	-141.1	170	7.7	-84.2	0	0	0	0	113.1
371	S	24.3	Very low	26.7	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	77%	0.773	S	S	*	*			trans	-91.4	162.8	-172.8	-51.3	0	0	0	0	115.8
372	L	27.3	Very low	26.6	Very low	171 Å²	171	146.1 Å²	146.1	90%	0.895	77%	0.766	S	S	*	*			trans	-155.7	160.1	136.2	-108.8	169.4	0	0	0	110.6
373	T	25	Very low	26.8	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	77%	0.769	S	S	*	*			trans	-145.6	146	-159.8	46.8	0	0	0	0	115.6
374	A	24.1	Very low	26.7	Very low	100 Å²	100	147.3 Å²	147.3	83%	0.826	78%	0.777	S	S	*	*			trans	-148.9	127.6	158.6	0	0	0	0	0	112.7
375	H	27.1	Very low	26.7	Very low	165 Å²	165	144.4 Å²	144.4	76%	0.764	78%	0.776	S	S	*	*			trans	-11.7	152.5	157.4	-70.2	-37.8	0	0	0	120.5
376	K	26.7	Very low	27.1	Very low	173 Å²	173	148.6 Å²	148.6	75%	0.752	79%	0.788	S	S	*	*			cis	-161.6	154.9	6.6	-100	148.4	-167	167.8	0	105.7
377	R	25.9	Very low	27.4	Very low	242 Å²	242	148.3 Å²	148.3	91%	0.913	78%	0.783	S	S	*	*			cis	-137.4	166	16.3	-59.1	175.8	170.5	136.2	-3.9	110.2
378	N	23.1	Very low	28.1	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	78%	0.783	S	S	*	*			trans	-141.6	168.1	-178.2	-142.7	18.3	0	0	0	108.4
379	P	34.4	Very low	28.8	Very low	105 Å²	105	145 Å²	145	68%	0.682	78%	0.775	S	S	*	*			cis	-132.8	173.8	2.6	42.1	-24.8	0	0	0	117.6
380	R	32.7	Very low	29.2	Very low	237 Å²	237	142.7 Å²	142.7	89%	0.894	76%	0.758	S	S	*	*			trans	-73	143.9	167.2	-54.9	169.5	176.9	169.7	-3.2	111.8
381	I	25.4	Very low	29.9	Very low	167 Å²	167	143.1 Å²	143.1	86%	0.856	76%	0.761	S	S	*	*			trans	-147.1	140.2	150.1	-56.5	-177.2	0	0	0	109.9
382	G	23.4	Very low	30.7	Very low	58 Å²	58	147.4 Å²	147.4	60%	0.598	77%	0.766	S	S	*	*			trans	102	116.4	144.8	0	0	0	0	0	118.3
383	S	29.4	Very low	31.9	Very low	122 Å²	122	142.4 Å²	142.4	85%	0.853	74%	0.744	S	S	*	*			trans	-77.5	126.1	163.4	42.8	0	0	0	0	110.9	S385	S383-S385 PolarHBondContact O-N 2.81Å
384	F	25.9	Very low	32.9	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.864	73%	0.728	S	S	*	*			trans	-90.6	89.3	-177.9	-89.1	-86.2	0	0	0	113.2
385	S	28.9	Very low	33.9	Very low	85 Å²	85	137.3 Å²	137.3	59%	0.594	71%	0.711	S	S	*	*			trans	-77.4	120	150.6	55	0	0	0	0	108.7	S383 T387	S383-S385 PolarHBondContact O-N 2.81Å; S385-T387 PolarHBondContact O-N 2.91Å; S385-T387 PolarHBondContact O-OG1 3.46Å
386	K	31.4	Very low	34.4	Very low	208 Å²	208	131.1 Å²	131.1	90%	0.904	69%	0.688	S	S	*	*			trans	-68.9	93	-178.8	-84.5	-174.8	175.1	177.1	0	110.9
387	T	33.6	Very low	35.1	Very low	76 Å²	76	129.1 Å²	129.1	47%	0.466	68%	0.68	S	S	.	*			trans	-90.9	105.4	177.7	31.8	0	0	0	0	110.4	S385 A396	S385-T387 PolarHBondContact O-N 2.91Å; S385-T387 PolarHBondContact O-OG1 3.46Å; T387-A396 HydrophobicContact CG2-CB 3.98Å
388	Q	41.7	Very low	35.3	Very low	174 Å²	174	123.5 Å²	123.5	81%	0.813	67%	0.673	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.7	145.3	167.5	-73	-162.1	-16.5	0	0	110.9	A396	Q388-A396 VanDerWaalsContact O-CA 3.31Å; Q388-A396 WeakPolarHBondContact O-CA 3.34Å; Q388-A396 WeakPolarHBondContact O-CB 3.29Å
389	K	40.5	Very low	35.8	Very low	150 Å²	150	125.9 Å²	125.9	65%	0.652	68%	0.679	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.9	146.1	-171.7	-68.2	176	173.1	-178.3	0	111.2	S391 G394 V395 A396	K389-S391 PolarHBondContact O-N 2.61Å; K389-G394 VanDerWaalsContact CD-O 3.28Å; K389-G394 WeakPolarHBondContact CD-O 3.48Å; K389-G394 VanDerWaalsContact CG-O 3.29Å; K389-G394 WeakPolarHBondContact CG-O 3.38Å; K389-V395 WeakPolarHBondContact CA-O 3.43Å; K389-A396 HydrophobicContact CG-CB 4.01Å
390	C	35.9	Very low	35.6	Very low	60 Å²	60	126.7 Å²	126.7	41%	0.405	69%	0.687	S	S	.	*			trans	-66.4	122.7	168.7	176.2	0	0	0	0	110.6	K392 C393 G394 V395	C390-K392 PolarHBondContact O-N 3.38Å; C390-C393 VanDerWaalsContact CB-SG 3.59Å; C390-C393 PolarHBondContact O-N 3.49Å; C390-G394 PolarHBondContact O-N 3.04Å; C390-V395 PolarHBondContact N-O 2.85Å
391	S	41.3	Very low	35.4	Very low	124 Å²	124	119.5 Å²	119.5	87%	0.867	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-9.3	-174.6	54.4	0	0	0	0	115.5	K389	K389-S391 PolarHBondContact O-N 2.61Å
392	K	41.3	Very low	35.8	Very low	201 Å²	201	123.6 Å²	123.6	87%	0.874	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-4.5	175.3	-69.1	-172.3	176.8	-178.9	0	115	C390	C390-K392 PolarHBondContact O-N 3.38Å
393	C	52.8	Low	36.2	Very low	66 Å²	66	130.4 Å²	130.4	45%	0.446	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-146.7	0.5	177.4	68.4	0	0	0	0	116.5	C390 V395	C390-C393 VanDerWaalsContact CB-SG 3.59Å; C390-C393 PolarHBondContact O-N 3.49Å; C393-V395 PolarHBondContact O-N 2.62Å
394	G	45.3	Very low	36.2	Very low	43 Å²	43	128.4 Å²	128.4	44%	0.443	67%	0.672	S	S	.	*			trans	74.2	-11.6	168	0	0	0	0	0	117.2	K389 C390	K389-G394 VanDerWaalsContact CD-O 3.28Å; K389-G394 WeakPolarHBondContact CD-O 3.48Å; K389-G394 VanDerWaalsContact CG-O 3.29Å; K389-G394 WeakPolarHBondContact CG-O 3.38Å; C390-G394 PolarHBondContact O-N 3.04Å
395	V	46.2	Very low	36.6	Very low	79 Å²	79	124.9 Å²	124.9	48%	0.479	67%	0.672	S	S	.	*			trans	-71.9	142.1	177.4	-173.4	0	0	0	0	110.7	K389 C390 C393 F397	K389-V395 WeakPolarHBondContact CA-O 3.43Å; C390-V395 PolarHBondContact N-O 2.85Å; C393-V395 PolarHBondContact O-N 2.62Å; V395-F397 HydrophobicContact CB-CE2 4.13Å; V395-F397 HydrophobicContact CB-CZ 4.32Å; V395-F397 HydrophobicContact CG1-CE1 4.3Å; V395-F397 HydrophobicContact CG1-CE2 3.8Å; V395-F397 HydrophobicContact CG1-CZ 3.63Å
396	A	36.5	Very low	37.1	Very low	34 Å²	34	129.1 Å²	129.1	28%	0.281	68%	0.679	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	153.7	178.9	0	0	0	0	0	112.8	T387 Q388 K389	T387-A396 HydrophobicContact CG2-CB 3.98Å; Q388-A396 VanDerWaalsContact O-CA 3.31Å; Q388-A396 WeakPolarHBondContact O-CA 3.34Å; Q388-A396 WeakPolarHBondContact O-CB 3.29Å; K389-A396 HydrophobicContact CG-CB 4.01Å
397	F	40.5	Very low	37.4	Very low	132 Å²	132	124.7 Å²	124.7	58%	0.579	68%	0.675	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-141.8	160.8	-179.7	-61.2	-82.8	0	0	0	111.5	V395	V395-F397 HydrophobicContact CB-CE2 4.13Å; V395-F397 HydrophobicContact CB-CZ 4.32Å; V395-F397 HydrophobicContact CG1-CE1 4.3Å; V395-F397 HydrophobicContact CG1-CE2 3.8Å; V395-F397 HydrophobicContact CG1-CZ 3.63Å
398	T	31.9	Very low	37.8	Very low	124 Å²	124	126.2 Å²	126.2	76%	0.761	69%	0.688	S	S	*	*			trans	-108.6	159.6	173.1	49	0	0	0	0	111.4	S400	T398-S400 PolarHBondContact O-N 3.04Å
399	Q	32.9	Very low	37.7	Very low	202 Å²	202	126.5 Å²	126.5	94%	0.944	69%	0.69	S	S	*	*	S	Bend	trans	-95.3	88.3	-153.4	-172	-179.9	6.7	0	0	114.5
400	S	30.5	Very low	37.6	Very low	121 Å²	121	122.8 Å²	122.8	85%	0.846	68%	0.682	S	S	*	*	S	Bend	trans	-156.3	18.8	165.5	59.9	0	0	0	0	117	T398	T398-S400 PolarHBondContact O-N 3.04Å
401	S	28.7	Very low	37.7	Very low	86 Å²	86	127.8 Å²	127.8	60%	0.601	70%	0.699	S	S	*	*			trans	-158.1	143.4	166.6	178	0	0	0	0	111.2	Y403	S401-Y403 PolarHBondContact OG-N 3.44Å; S401-Y403 PolarHBondContact OG-O 3.4Å
402	W	32.8	Very low	37.6	Very low	254 Å²	254	131 Å²	131	96%	0.962	70%	0.698	S	S	*	*	S	Bend	trans	-91.9	8.4	170.1	-96.5	76.7	0	0	0	113.9
403	Y	32	Very low	37.4	Very low	200 Å²	200	125.2 Å²	125.2	78%	0.784	68%	0.681	S	S	*	*	S	Bend	trans	-133.5	135.6	172.6	-63.4	-77.6	0	0	0	111.6	S401	S401-Y403 PolarHBondContact OG-N 3.44Å; S401-Y403 PolarHBondContact OG-O 3.4Å
404	C	29.6	Very low	36.7	Very low	81 Å²	81	132.7 Å²	132.7	55%	0.547	70%	0.7	S	S	.	*			trans	-98.1	119.6	-177.4	178	0	0	0	0	111.9	K406	C404-K406 PolarHBondContact O-N 3.03Å
405	S	34.1	Very low	36.3	Very low	122 Å²	122	139.1 Å²	139.1	85%	0.853	72%	0.716	S	S	*	*	S	Bend	trans	-77.7	16.6	-171.9	-45.3	0	0	0	0	116
406	K	38.8	Very low	35.8	Very low	174 Å²	174	142.2 Å²	142.2	76%	0.757	73%	0.73	S	S	*	*			trans	-137.7	49.7	178.4	-71	-167.1	176	-175.3	0	113	C404 S408	C404-K406 PolarHBondContact O-N 3.03Å; K406-S408 PolarHBondContact O-N 3.32Å
407	S	39.2	Very low	35.6	Very low	116 Å²	116	148.2 Å²	148.2	81%	0.811	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	4.4	-180	56.5	0	0	0	0	115.6
408	S	42.1	Very low	35.3	Very low	107 Å²	107	151.5 Å²	151.5	75%	0.748	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-8.3	-174.6	52.1	0	0	0	0	115.9	K406	K406-S408 PolarHBondContact O-N 3.32Å
409	Q	39.2	Very low	35	Very low	180 Å²	180	155.3 Å²	155.3	84%	0.841	78%	0.78	S	S	*	*	S	Bend	trans	-129.7	36.8	-170.8	-69.9	-176.1	-32.5	0	0	114.5
410	C	37.6	Very low	34.6	Very low	72 Å²	72	149 Å²	149	49%	0.486	77%	0.769	S	S	.	*			trans	-138.6	93.8	168.4	-167.7	0	0	0	0	112.5	K412 C413	C410-K412 PolarHBondContact O-N 2.9Å; C410-C413 PolarHBondContact O-N 3.47Å; C410-C413 VanDerWaalsContact SG-SG 3.68Å
411	E	38.7	Very low	34.5	Very low	166 Å²	166	151.9 Å²	151.9	78%	0.776	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-71.2	-28.9	-170.8	-164.9	157.3	-146.6	0	0	114	C413 R414	E411-C413 VanDerWaalsContact C-N 3.31Å; E411-C413 PolarHBondContact O-N 3.25Å; E411-R414 PolarHBondContact O-N 2.94Å
412	K	38.7	Very low	34.5	Very low	192 Å²	192	154 Å²	154	84%	0.835	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-67.3	-26.5	177.3	-71.9	-173.4	176.3	-179.7	0	113.8	C410 R414	C410-K412 PolarHBondContact O-N 2.9Å; K412-R414 VanDerWaalsContact C-N 3.32Å; K412-R414 PolarHBondContact O-N 3.33Å
413	C	36.6	Very low	34.1	Very low	78 Å²	78	146.6 Å²	146.6	53%	0.527	77%	0.766	S	S	.	*	G	3₁₀ helix	trans	-78.1	-15.6	179	-66.8	0	0	0	0	113.4	C410 E411 K415	C410-C413 PolarHBondContact O-N 3.47Å; C410-C413 VanDerWaalsContact SG-SG 3.68Å; E411-C413 VanDerWaalsContact C-N 3.31Å; E411-C413 PolarHBondContact O-N 3.25Å; C413-K415 VanDerWaalsContact C-N 3.34Å; C413-K415 PolarHBondContact O-N 3.33Å
414	R	38.7	Very low	33.8	Very low	224 Å²	224	144 Å²	144	85%	0.845	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-79.4	-10.8	-170.5	-158.6	174.4	-176.7	-177.8	1.7	114.6	E411 K412	E411-R414 PolarHBondContact O-N 2.94Å; K412-R414 VanDerWaalsContact C-N 3.32Å; K412-R414 PolarHBondContact O-N 3.33Å
415	K	37.2	Very low	33.7	Very low	177 Å²	177	148.2 Å²	148.2	77%	0.77	78%	0.775	S	S	*	*	S	Bend	trans	-101.3	-16.7	-172.2	-65.2	-170.2	177.6	-176.2	0	115.6	C413	C413-K415 VanDerWaalsContact C-N 3.34Å; C413-K415 PolarHBondContact O-N 3.33Å
416	N	35	Very low	33.5	Very low	145 Å²	145	148.7 Å²	148.7	78%	0.775	77%	0.768	S	S	*	*			trans	-116.6	51.3	-166.1	-67.7	-3.8	0	0	0	113.9
417	L	33	Very low	33.1	Very low	160 Å²	160	150.4 Å²	150.4	84%	0.838	78%	0.775	S	S	*	*	S	Bend	trans	-128.4	24.4	175.2	-129.7	161.3	0	0	0	113.3
418	F	33.3	Very low	32.7	Very low	200 Å²	200	154.1 Å²	154.1	88%	0.877	78%	0.779	S	S	*	*	S	Bend	trans	-149.4	89.3	165	-99.4	-81.8	0	0	0	109.2
419	Q	26.1	Very low	32.1	Very low	204 Å²	204	154.8 Å²	154.8	95%	0.953	78%	0.782	S	S	*	*			trans	173.5	151.8	146.3	-97.3	164.4	21.5	0	0	110.8
420	G	24.7	Very low	31.4	Very low	70 Å²	70	153.5 Å²	153.5	72%	0.722	78%	0.775	S	S	*	*			trans	114.1	109.5	-164.4	0	0	0	0	0	109.8
421	E	29.1	Very low	31	Very low	182 Å²	182	157 Å²	157	85%	0.85	79%	0.794	S	S	*	*			cis	-142.6	153	4.6	-63.5	178	131.5	0	0	112
422	T	27.6	Very low	30.5	Very low	130 Å²	130	156.7 Å²	156.7	80%	0.798	79%	0.79	S	S	*	*			trans	25.1	145.8	148.6	56.3	0	0	0	0	122.6
423	S	25.3	Very low	30.1	Very low	99 Å²	99	154.7 Å²	154.7	69%	0.692	78%	0.784	S	S	*	*			cis	-179.2	140.2	-10.5	50	0	0	0	0	110.8
424	N	24.6	Very low	30.1	Very low	146 Å²	146	155.8 Å²	155.8	78%	0.781	79%	0.79	S	S	*	*			trans	-170.6	125	138.3	-115.1	-35.6	0	0	0	114
425	K	28.3	Very low	30.2	Very low	169 Å²	169	149.9 Å²	149.9	74%	0.735	78%	0.783	S	S	*	*			trans	42.4	119.4	145.5	-70.9	-171.1	176.4	-167.4	0	123.2
426	D	30.6	Very low	30.4	Very low	131 Å²	131	147 Å²	147	70%	0.701	77%	0.771	S	S	*	*				72.4	83.5	126.7	-46.2	-18.1	0	0	0	120.6
427	K	30.6	Very low	30.7	Very low	210 Å²	210	141.8 Å²	141.8	91%	0.913	75%	0.746	S	S	*	*				179.1	152.3	122.9	-95.7	159.2	-171.5	-179.1	0	112.8
428	E	30.9	Very low	31.5	Very low	194 Å²	194	146.5 Å²	146.5	91%	0.907	75%	0.752	S	S	*	*			trans	-74.5	150	-178.8	-63.9	179.5	106.9	0	0	113.7
429	P	27.9	Very low	31.9	Very low	122 Å²	122	145.8 Å²	145.8	79%	0.792	75%	0.749	S	S	*	*			trans	-110.3	135.3	169.8	36.7	-27.9	0	0	0	114
430	E	24.9	Very low	33	Very low	152 Å²	152	138.9 Å²	138.9	71%	0.71	72%	0.722	S	S	*	*			trans	-62.3	151.2	173.2	-51.9	163.9	108.9	0	0	113.8	K432	E430-K432 WeakPolarHBondContact OE2-CE 3.46Å; E430-K432 IonicContact OE2-NZ 2.86Å; E430-K432 PolarHBondContact OE2-NZ 3.22Å
431	V	29.5	Very low	34.2	Very low	146 Å²	146	137.9 Å²	137.9	89%	0.885	71%	0.712	S	S	*	*			trans	-67.1	141.3	165.1	-178.9	0	0	0	0	110.6
432	K	28.7	Very low	34.8	Very low	159 Å²	159	137.2 Å²	137.2	69%	0.691	71%	0.706	S	S	*	*			trans	-130.9	134.2	177.7	-66.7	-173.7	175.1	170.7	0	112.8	E430	E430-K432 WeakPolarHBondContact OE2-CE 3.46Å; E430-K432 IonicContact OE2-NZ 2.86Å; E430-K432 PolarHBondContact OE2-NZ 3.22Å
433	E	28.7	Very low	35.5	Very low	151 Å²	151	135.2 Å²	135.2	71%	0.706	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-63.9	156.2	-173.1	-76.6	-153.5	151.5	0	0	115	K436	E433-K436 IonicContact OE2-NZ 2.92Å; E433-K436 PolarHBondContact OE2-NZ 3.1Å
434	P	36.9	Very low	36.3	Very low	100 Å²	100	136.4 Å²	136.4	65%	0.649	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-65.8	138.2	168.9	28.8	-35.4	0	0	0	112.7	K436	P434-K436 PolarHBondContact O-N 2.93Å
435	S	42	Very low	36.7	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-72.3	124.8	-174.8	49.3	0	0	0	0	113.9
436	K	40.9	Very low	37	Very low	115 Å²	115	135.9 Å²	135.9	50%	0.5	70%	0.701	S	S	.	*	B	Isolated β-bridge	trans	-86.2	149.7	175.3	-68.7	155.8	-178.2	148.8	0	111.3	E433 P434 R438 G441	E433-K436 IonicContact OE2-NZ 2.92Å; E433-K436 PolarHBondContact OE2-NZ 3.1Å; P434-K436 PolarHBondContact O-N 2.93Å; K436-R438 PolarHBondContact O-N 3.46Å; K436-G441 WeakPolarHBondContact CB-O 3.43Å; K436-G441 VanDerWaalsContact CG-O 3.31Å; K436-G441 WeakPolarHBondContact CG-O 3.5Å
437	C	40.9	Very low	37	Very low	37 Å²	37	134 Å²	134	25%	0.25	70%	0.698	C	S	.	*	P	Polyproline II helix	trans	-64.9	124.1	175.6	178.1	0	0	0	0	111.3	K439 C440 G441 K442	C437-K439 PolarHBondContact O-N 2.82Å; C437-C440 PolarHBondContact O-N 3.03Å; C437-G441 WeakPolarHBondContact O-CA 3.45Å; C437-G441 PolarHBondContact O-N 3.18Å; C437-K442 PolarHBondContact N-O 3.42Å
438	R	49.3	Very low	37.5	Very low	258 Å²	258	129.7 Å²	129.7	97%	0.974	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-4.5	-175.9	-81.4	-168.5	174.1	-161.1	-3.1	116.3	K436	K436-R438 PolarHBondContact O-N 3.46Å
439	K	42.5	Very low	37.9	Very low	185 Å²	185	128.9 Å²	128.9	80%	0.804	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-20.7	175.7	-147.6	-171.7	-179.8	-165.7	0	114.5	C437	C437-K439 PolarHBondContact O-N 2.82Å
440	C	48.9	Very low	38.7	Very low	60 Å²	60	132.7 Å²	132.7	41%	0.405	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-140.4	8.7	-176.4	61.2	0	0	0	0	115.2	C437 K442	C437-C440 PolarHBondContact O-N 3.03Å; C440-K442 PolarHBondContact O-N 2.89Å
441	G	49.5	Very low	39.3	Very low	48 Å²	48	129.9 Å²	129.9	50%	0.495	69%	0.686	S	S	.	*			trans	73.6	-12.4	163.7	0	0	0	0	0	117.9	K436 C437	K436-G441 WeakPolarHBondContact CB-O 3.43Å; K436-G441 VanDerWaalsContact CG-O 3.31Å; K436-G441 WeakPolarHBondContact CG-O 3.5Å; C437-G441 WeakPolarHBondContact O-CA 3.45Å; C437-G441 PolarHBondContact O-N 3.18Å
442	K	42.9	Very low	39.8	Very low	169 Å²	169	127.7 Å²	127.7	74%	0.735	67%	0.669	S	S	*	*			trans	-90.2	157.4	-178	-65.1	-179	-178.2	176.9	0	112.9	C437 C440	C437-K442 PolarHBondContact N-O 3.42Å; C440-K442 PolarHBondContact O-N 2.89Å
443	S	40.8	Very low	40.2	Very low	88 Å²	88	122.3 Å²	122.3	62%	0.615	65%	0.651	S	S	*	*	B	Isolated β-bridge	trans	-77.6	150.9	-178.9	43	0	0	0	0	112.5
444	L	42.1	Very low	40.9	Very low	123 Å²	123	121.3 Å²	121.3	64%	0.644	66%	0.655	S	S	*	*			trans	-104.9	128.2	177.8	-67.4	171.5	0	0	0	110.7
445	G	33.1	Very low	41	Very low	68 Å²	68	124.4 Å²	124.4	70%	0.701	66%	0.661	S	S	*	*			trans	-75	147.2	174	0	0	0	0	0	112.7
446	Y	35.4	Very low	41	Very low	237 Å²	237	122.7 Å²	122.7	93%	0.929	65%	0.648	S	S	*	*			trans	-81.8	116.6	179.8	-77.1	-91.9	0	0	0	112.2
447	S	30.9	Very low	41.1	Very low	91 Å²	91	128.1 Å²	128.1	64%	0.636	67%	0.665	S	S	*	*			trans	-145	149.3	158.8	72.4	0	0	0	0	111.2	Q449	S447-Q449 PolarHBondContact O-N 2.94Å
448	S	41.5	Very low	40.8	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	69%	0.689	S	S	*	*	S	Bend	trans	-95.4	44.5	-163.6	-175.1	0	0	0	0	114.4
449	Q	38.1	Very low	40	Very low	177 Å²	177	125 Å²	125	83%	0.827	67%	0.666	S	S	*	*	S	Bend	trans	-166.2	138.4	164.3	-107.6	156.3	35.4	0	0	110.4	S447 S451	S447-Q449 PolarHBondContact O-N 2.94Å; Q449-S451 PolarHBondContact O-N 3.49Å; Q449-S451 VanDerWaalsContact O-N 3.1Å
450	R	44.4	Very low	39.7	Very low	201 Å²	201	124.7 Å²	124.7	76%	0.758	67%	0.667	S	S	*	*			trans	5	83.3	177.6	-77.5	-176.5	168.9	176.5	-3.5	116.4	L452	R450-L452 PolarHBondContact O-N 2.89Å
451	S	37.9	Very low	38.8	Very low	93 Å²	93	127.2 Å²	127.2	65%	0.65	68%	0.681	S	S	*	*			trans	-77.2	114.3	161.8	44.1	0	0	0	0	110.2	Q449	Q449-S451 PolarHBondContact O-N 3.49Å; Q449-S451 VanDerWaalsContact O-N 3.1Å
452	L	41.3	Very low	38.3	Very low	101 Å²	101	130 Å²	130	53%	0.529	70%	0.699	S	S	.	*			trans	-85.1	136.9	165.8	-78.5	168	0	0	0	109	R450 T454 K458 A459	R450-L452 PolarHBondContact O-N 2.89Å; L452-T454 PolarHBondContact O-N 3Å; L452-K458 WeakPolarHBondContact CD2-O 3.47Å; L452-A459 HydrophobicContact CD2-CB 3.9Å
453	C	35.9	Very low	37.8	Very low	46 Å²	46	127.6 Å²	127.6	31%	0.311	70%	0.704	S	S	.	*			trans	-72	119.3	163.2	175.7	0	0	0	0	108.2	E455 C456 R457	C453-E455 VanDerWaalsContact C-N 3.26Å; C453-E455 PolarHBondContact O-N 3.26Å; C453-C456 HydrophobicContact CB-CB 4.06Å; C453-C456 PolarHBondContact O-N 3.07Å; C453-R457 PolarHBondContact O-N 3.16Å
454	T	43	Very low	37.1	Very low	130 Å²	130	127.1 Å²	127.1	80%	0.798	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-34	-169.7	40.1	0	0	0	0	113.6	L452	L452-T454 PolarHBondContact O-N 3Å
455	E	39.4	Very low	36.5	Very low	164 Å²	164	127.4 Å²	127.4	77%	0.766	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-15.2	179.3	-62	171	132.3	0	0	113.7	C453	C453-E455 VanDerWaalsContact C-N 3.26Å; C453-E455 PolarHBondContact O-N 3.26Å
456	C	41.4	Very low	36.4	Very low	66 Å²	66	131.1 Å²	131.1	45%	0.446	71%	0.711	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111	-12.3	-168.8	-69.7	0	0	0	0	115.4	C453 K458	C453-C456 HydrophobicContact CB-CB 4.06Å; C453-C456 PolarHBondContact O-N 3.07Å; C456-K458 PolarHBondContact O-N 3.03Å
457	R	43	Very low	36.2	Very low	228 Å²	228	128.6 Å²	128.6	86%	0.86	71%	0.705	S	S	*	*			trans	44.3	27.5	171.7	-89.8	-168.1	177.3	-161.1	1.7	117.9	C453	C453-R457 PolarHBondContact O-N 3.16Å
458	K	36.3	Very low	36.1	Very low	170 Å²	170	130.2 Å²	130.2	74%	0.739	71%	0.714	S	S	*	*			trans	-123.3	138.1	171.8	-69.4	-170.3	177.9	-175.7	0	111.8	L452 C456	L452-K458 WeakPolarHBondContact CD2-O 3.47Å; C456-K458 PolarHBondContact O-N 3.03Å
459	A	32.3	Very low	35.6	Very low	60 Å²	60	132.8 Å²	132.8	50%	0.496	71%	0.712	S	S	.	*			trans	-98.8	140	-178.7	0	0	0	0	0	111.7	L452	L452-A459 HydrophobicContact CD2-CB 3.9Å
460	H	35.8	Very low	35.3	Very low	178 Å²	178	132.7 Å²	132.7	82%	0.824	71%	0.709	S	S	*	*			trans	-113.9	136.5	169.2	-67.7	-80	0	0	0	110.3
461	T	29.3	Very low	35.1	Very low	113 Å²	113	133.1 Å²	133.1	69%	0.693	72%	0.716	S	S	*	*			trans	-104.3	120.4	175.8	39.9	0	0	0	0	110.6	S463	T461-S463 PolarHBondContact O-N 3.32Å
462	A	38.9	Very low	35.1	Very low	107 Å²	107	133.1 Å²	133.1	88%	0.884	71%	0.712	S	S	*	*	S	Bend	trans	-77.8	78.6	-178.4	0	0	0	0	0	111.8
463	S	32.5	Very low	35.2	Very low	119 Å²	119	135.4 Å²	135.4	83%	0.832	73%	0.725	S	S	*	*			trans	-154.9	48.9	172.1	-74.9	0	0	0	0	112.7	T461	T461-S463 PolarHBondContact O-N 3.32Å
464	S	27.3	Very low	35.8	Very low	78 Å²	78	143 Å²	143	55%	0.545	75%	0.753	S	S	.	*			trans	-139.2	120.9	161	-179.8	0	0	0	0	109.6	H466	S464-H466 PolarHBondContact O-N 3.42Å; S464-H466 PolarHBondContact OG-CD2 2.97Å; S464-H466 PolarHBondContact OG-NE2 3.11Å
465	S	28.7	Very low	36.4	Very low	128 Å²	128	144.8 Å²	144.8	90%	0.895	75%	0.75	S	S	*	*			trans	-76.9	61.3	171.8	-58.8	0	0	0	0	110.6	K467	S465-K467 PolarHBondContact O-N 2.61Å
466	H	30.8	Very low	37.5	Very low	147 Å²	147	144.5 Å²	144.5	68%	0.681	75%	0.748	S	S	*	*			trans	-59.6	108.2	159.7	-72.2	-76.8	0	0	0	107.3	S464	S464-H466 PolarHBondContact O-N 3.42Å; S464-H466 PolarHBondContact OG-CD2 2.97Å; S464-H466 PolarHBondContact OG-NE2 3.11Å
467	K	31.9	Very low	39.2	Very low	184 Å²	184	147.1 Å²	147.1	80%	0.8	75%	0.752	S	S	*	*			trans	-47.3	136.1	159.5	-73.8	-176.7	175.2	-177.8	0	107	S465 H469	S465-K467 PolarHBondContact O-N 2.61Å; K467-H469 PolarHBondContact O-N 2.82Å
468	P	28.8	Very low	40.9	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	74%	0.739	S	S	*	*			trans	-58.8	115.1	179.5	24	-33	0	0	0	108.4	K470	P468-K470 PolarHBondContact O-N 3.28Å
469	H	30.9	Very low	43.1	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.806	72%	0.723	S	S	*	*			trans	-63.1	91.9	158.8	-83	-92.5	0	0	0	106.4	K467 K471	K467-H469 PolarHBondContact O-N 2.82Å; H469-K471 PolarHBondContact O-N 3.17Å
470	K	31.8	Very low	45.5	Very low	174 Å²	174	139.5 Å²	139.5	76%	0.757	72%	0.721	S	S	*	*			trans	-45.7	134.8	143.6	-81.4	-171	171.3	-172.6	0	105.7	P468 T472	P468-K470 PolarHBondContact O-N 3.28Å; K470-T472 HydrophobicContact CB-CG2 4.35Å; K470-T472 PolarHBondContact O-N 3.25Å
471	K	40.8	Very low	48	Very low	211 Å²	211	131 Å²	131	92%	0.917	68%	0.682	S	S	*	*			trans	-68.2	74	158	-74.8	-172.3	172.9	-171.3	0	107.2	H469	H469-K471 PolarHBondContact O-N 3.17Å
472	T	36.8	Very low	50.6	Low	93 Å²	93	131.5 Å²	131.5	57%	0.571	68%	0.68	S	S	*	*			trans	-67.7	150	143.7	56.6	0	0	0	0	106.5	K470	K470-T472 HydrophobicContact CB-CG2 4.35Å; K470-T472 PolarHBondContact O-N 3.25Å
473	D	43.8	Very low	52.6	Low	148 Å²	148	132.9 Å²	132.9	79%	0.791	67%	0.668	S	S	*	*			trans	-59.2	171.7	-172.1	-51.6	-80.5	0	0	0	112.6	K475	D473-K475 VanDerWaalsContact C-N 3.32Å; D473-K475 PolarHBondContact O-N 3.03Å
474	K	48.3	Very low	55.1	Low	205 Å²	205	129.3 Å²	129.3	89%	0.891	64%	0.643	S	S	*	*			trans	-52.6	97.5	175.4	-75.1	180	178.8	175.8	0	108.8	E476	K474-E476 VanDerWaalsContact C-N 3.25Å; K474-E476 PolarHBondContact O-N 3.01Å
475	K	56	Low	57.7	Low	169 Å²	169	127.8 Å²	127.8	74%	0.735	64%	0.639	S	S	*	*			trans	-68	96.6	165.5	-86.8	-158.1	169.7	-163.4	0	106.8	D473	D473-K475 VanDerWaalsContact C-N 3.32Å; D473-K475 PolarHBondContact O-N 3.03Å
476	E	61.7	Low	60.3	Low	158 Å²	158	126.7 Å²	126.7	74%	0.738	62%	0.618	S	S	*	*			trans	-47	148.2	161.5	-60.9	-174.8	154	0	0	109	K474 P478	K474-E476 VanDerWaalsContact C-N 3.25Å; K474-E476 PolarHBondContact O-N 3.01Å; E476-P478 HydrophobicContact CB-CG 4.43Å; E476-P478 WeakPolarHBondContact O-CD 3.32Å
477	K	77.9	Confident	63	Low	121 Å²	121	122 Å²	122	53%	0.526	60%	0.602	S	S	.	*			trans	-119.2	75.5	177	-69.8	176.3	163.6	-160.4	0	106.4	Y479 S487 F488 A489	K477-Y479 PolarHBondContact O-N 2.94Å; K477-Y479 VanDerWaalsContact O-N 3.14Å; K477-S487 WeakPolarHBondContact CD-O 3.48Å; K477-S487 PolarHBondContact NZ-O 3.45Å; K477-F488 CarbonylContact C-O 3.46Å; K477-F488 VanDerWaalsContact CA-O 3.23Å; K477-F488 WeakPolarHBondContact CA-O 3.49Å; K477-F488 WeakPolarHBondContact CB-O 3.44Å; K477-A489 HydrophobicContact CG-CB 4.35Å
478	P	79.3	Confident	65.7	Low	91 Å²	91	115.4 Å²	115.4	59%	0.591	57%	0.573	S	S	*	*			trans	-63.8	-27.3	-164.9	-20.9	34.2	0	0	0	112	E476 K480	E476-P478 HydrophobicContact CB-CG 4.43Å; E476-P478 WeakPolarHBondContact O-CD 3.32Å; P478-K480 PolarHBondContact O-N 3.46Å
479	Y	81.9	Confident	68.4	Low	102 Å²	102	112 Å²	112	40%	0.4	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.5	94.5	-178	-49.2	-84.7	0	0	0	110	K477 S487 F488 G491 F494	K477-Y479 PolarHBondContact O-N 2.94Å; K477-Y479 VanDerWaalsContact O-N 3.14Å; Y479-S487 CarbonylContact O-C 3.16Å; Y479-S487 WeakPolarHBondContact O-CA 3.37Å; Y479-F488 PolarHBondContact O-N 3.42Å; Y479-G491 VanDerWaalsContact CE2-N 3.32Å; Y479-F494 HydrophobicContact CD1-CD1 4.2Å; Y479-F494 HydrophobicContact CG-CB 4.28Å; Y479-F494 HydrophobicContact CG-CG 4.49Å
480	K	83.1	Confident	71.1	Confident	105 Å²	105	107.9 Å²	107.9	46%	0.457	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.6	173.8	178.2	-172.4	166.3	-118.7	0	109.5	P478 D482 F494	P478-K480 PolarHBondContact O-N 3.46Å; K480-D482 IonicContact NZ-OD1 3.89Å; K480-D482 PolarHBondContact NZ-OD1 3.39Å; K480-F494 VanDerWaalsContact C-CE2 3.48Å; K480-F494 WeakPolarHBondContact O-CE2 3.31Å
481	C	88.1	Confident	73.6	Confident	0 Å²	0	100.1 Å²	100.1	0%	0	51%	0.513	C	S	.	.			trans	-81.7	122.5	166.5	175.2	0	0	0	0	109.1	G485 K486 F494	C481-G485 CarbonylContact O-C 3.59Å; C481-G485 WeakPolarHBondContact O-CA 3.47Å; C481-G485 PolarHBondContact O-N 2.99Å; C481-K486 PolarHBondContact N-O 3.11Å; C481-F494 HydrophobicContact CB-CD2 4.46Å; C481-F494 HydrophobicContact CB-CE2 4.16Å
482	D	83.8	Confident	75.7	Confident	122 Å²	122	96.3 Å²	96.3	65%	0.652	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-31.9	-179.3	-63.3	-59.5	0	0	0	112.4	K480 C484	K480-D482 IonicContact NZ-OD1 3.89Å; K480-D482 PolarHBondContact NZ-OD1 3.39Å; D482-C484 VanDerWaalsContact C-N 3.35Å; D482-C484 PolarHBondContact O-N 3.48Å
483	E	80.9	Confident	77.8	Confident	136 Å²	136	94 Å²	94	64%	0.636	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-29.7	179.4	-59.7	-177.6	154.7	0	0	113.8	H501	E483-H501 WeakPolarHBondContact OE2-CB 3.44Å; E483-H501 IonicContact OE2-CD2 3.86Å; E483-H501 PolarHBondContact OE2-CD2 3.41Å; E483-H501 IonicContact OE2-CG 3.09Å
484	C	84.6	Confident	79.8	Confident	45 Å²	45	88.8 Å²	88.8	30%	0.304	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	16.7	176.3	80	0	0	0	0	115.8	D482 K486 H497 H501	D482-C484 VanDerWaalsContact C-N 3.35Å; D482-C484 PolarHBondContact O-N 3.48Å; C484-K486 PolarHBondContact O-N 3.06Å; C484-K486 VanDerWaalsContact O-N 3.08Å; C484-K486 VanDerWaalsContact SG-CD 3.58Å; C484-K486 PolarHBondContact SG-NZ 3.38Å; C484-H497 PolarHBondContact SG-CE1 3.41Å; C484-H497 PolarHBondContact SG-NE2 3Å; C484-H501 WeakPolarHBondContact CB-NE2 3.25Å; C484-H501 PolarHBondContact SG-NE2 2.82Å
485	G	81.6	Confident	81.4	Confident	45 Å²	45	82.7 Å²	82.7	46%	0.464	44%	0.436	S	S	.	.			trans	69.6	-1	171.2	0	0	0	0	0	117.1	C481	C481-G485 CarbonylContact O-C 3.59Å; C481-G485 WeakPolarHBondContact O-CA 3.47Å; C481-G485 PolarHBondContact O-N 2.99Å
486	K	83.9	Confident	82.7	Confident	106 Å²	106	77.8 Å²	77.8	46%	0.461	41%	0.414	S	S	.	.			trans	-75.5	131.5	-173.7	-67.3	172.4	-165.8	139.9	0	111.8	C481 C484 F488	C481-K486 PolarHBondContact N-O 3.11Å; C484-K486 PolarHBondContact O-N 3.06Å; C484-K486 VanDerWaalsContact O-N 3.08Å; C484-K486 VanDerWaalsContact SG-CD 3.58Å; C484-K486 PolarHBondContact SG-NZ 3.38Å; K486-F488 HydrophobicContact CB-CE2 3.57Å; K486-F488 HydrophobicContact CB-CZ 3.85Å; K486-F488 VanDerWaalsContact O-CE2 3.3Å; K486-F488 WeakPolarHBondContact O-CE2 3.27Å
487	S	87.9	Confident	83.8	Confident	48 Å²	48	71 Å²	71	34%	0.336	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.4	177.6	-42.4	0	0	0	0	113.4	K477 Y479	K477-S487 WeakPolarHBondContact CD-O 3.48Å; K477-S487 PolarHBondContact NZ-O 3.45Å; Y479-S487 CarbonylContact O-C 3.16Å; Y479-S487 WeakPolarHBondContact O-CA 3.37Å
488	F	87.8	Confident	84	Confident	45 Å²	45	67.5 Å²	67.5	20%	0.197	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.9	-172.5	-58.6	-98.3	0	0	0	111.3	K477 Y479 K486 V490 A493 F494 H497	K477-F488 CarbonylContact C-O 3.46Å; K477-F488 VanDerWaalsContact CA-O 3.23Å; K477-F488 WeakPolarHBondContact CA-O 3.49Å; K477-F488 WeakPolarHBondContact CB-O 3.44Å; Y479-F488 PolarHBondContact O-N 3.42Å; K486-F488 HydrophobicContact CB-CE2 3.57Å; K486-F488 HydrophobicContact CB-CZ 3.85Å; K486-F488 VanDerWaalsContact O-CE2 3.3Å; K486-F488 WeakPolarHBondContact O-CE2 3.27Å; F488-V490 VanDerWaalsContact C-N 3.35Å; F488-A493 HydrophobicContact CB-CB 4.45Å; F488-A493 HydrophobicContact CD1-CB 4.02Å; F488-F494 HydrophobicContact CB-CB 4.02Å; F488-F494 HydrophobicContact CD2-CB 4.02Å; F488-F494 HydrophobicContact CD2-CD2 4.15Å; F488-F494 HydrophobicContact CG-CB 4.08Å; F488-H497 HydrophobicContact CE1-CB 4.05Å; F488-H497 HydrophobicContact CE2-CB 4.17Å; F488-H497 AromaticContact CE2-CD2 3.18Å; F488-H497 WeakPolarHBondContact CE2-CD2 3.36Å; F488-H497 AromaticContact CE2-CG 3.88Å; F488-H497 HydrophobicContact CZ-CB 3.65Å; F488-H497 AromaticContact CZ-CD2 3.22Å; F488-H497 WeakPolarHBondContact CZ-CD2 3.32Å; F488-H497 AromaticContact CZ-CG 3.45Å; F488-H497 VanDerWaalsContact CZ-CG 3.45Å
489	A	85.3	Confident	84.2	Confident	54 Å²	54	66 Å²	66	45%	0.446	35%	0.351	S	S	.	.	S	Bend	trans	-87.3	0.3	-177.7	0	0	0	0	0	114.2	K477	K477-A489 HydrophobicContact CG-CB 4.35Å
490	V	87.1	Confident	84.2	Confident	87 Å²	87	65.1 Å²	65.1	53%	0.527	36%	0.356	S	S	.	.	S	Bend	trans	-152	134.1	-175.8	-176.6	0	0	0	0	108.7	F488 Q492 A493 F494	F488-V490 VanDerWaalsContact C-N 3.35Å; V490-Q492 HydrophobicContact CG1-CB 4.37Å; V490-Q492 PolarHBondContact O-N 3.04Å; V490-A493 PolarHBondContact O-N 2.98Å; V490-A493 VanDerWaalsContact O-N 3.1Å; V490-F494 PolarHBondContact O-N 2.92Å
491	G	85.1	Confident	84.1	Confident	12 Å²	12	64.1 Å²	64.1	12%	0.124	35%	0.353	C	S	.	.	H	α-helix	trans	-51.7	-53.3	179.1	0	0	0	0	0	112.8	Y479 A493 F494 D495	Y479-G491 VanDerWaalsContact CE2-N 3.32Å; G491-A493 PolarHBondContact O-N 3.13Å; G491-F494 CarbonylContact O-C 3.34Å; G491-F494 VanDerWaalsContact O-CA 3.31Å; G491-F494 WeakPolarHBondContact O-CA 3.47Å; G491-F494 VanDerWaalsContact O-CB 3.27Å; G491-F494 WeakPolarHBondContact O-CB 3.36Å; G491-F494 PolarHBondContact O-N 3.49Å; G491-D495 PolarHBondContact O-N 3.3Å
492	Q	84.1	Confident	83.7	Confident	130 Å²	130	68.1 Å²	68.1	61%	0.607	38%	0.377	S	S	*	.	H	α-helix	trans	-52.7	-29.8	178.7	-165	-169.4	84.3	0	0	114.8	V490 D495 K496	V490-Q492 HydrophobicContact CG1-CB 4.37Å; V490-Q492 PolarHBondContact O-N 3.04Å; Q492-D495 VanDerWaalsContact CA-OD2 3.26Å; Q492-D495 WeakPolarHBondContact CA-OD2 3.15Å; Q492-D495 PolarHBondContact N-OD2 3.5Å; Q492-K496 WeakPolarHBondContact O-CB 3.49Å; Q492-K496 VanDerWaalsContact O-CG 3.24Å; Q492-K496 WeakPolarHBondContact O-CG 3.32Å; Q492-K496 PolarHBondContact O-N 3.18Å
493	A	81.6	Confident	83.5	Confident	45 Å²	45	64.1 Å²	64.1	37%	0.372	37%	0.365	S	S	.	.	H	α-helix	trans	-79.8	-28.9	176.7	0	0	0	0	0	112.7	F488 V490 G491 H497	F488-A493 HydrophobicContact CB-CB 4.45Å; F488-A493 HydrophobicContact CD1-CB 4.02Å; V490-A493 PolarHBondContact O-N 2.98Å; V490-A493 VanDerWaalsContact O-N 3.1Å; G491-A493 PolarHBondContact O-N 3.13Å; A493-H497 WeakPolarHBondContact O-CB 3.35Å; A493-H497 PolarHBondContact O-N 3.08Å
494	F	85.9	Confident	83.5	Confident	39 Å²	39	62.4 Å²	62.4	17%	0.171	36%	0.357	C	S	.	.	H	α-helix	trans	-73.8	-44.6	169.2	164.8	-102.4	0	0	0	111.5	Y479 K480 C481 F488 V490 G491 K496 H497 Q498	Y479-F494 HydrophobicContact CD1-CD1 4.2Å; Y479-F494 HydrophobicContact CG-CB 4.28Å; Y479-F494 HydrophobicContact CG-CG 4.49Å; K480-F494 VanDerWaalsContact C-CE2 3.48Å; K480-F494 WeakPolarHBondContact O-CE2 3.31Å; C481-F494 HydrophobicContact CB-CD2 4.46Å; C481-F494 HydrophobicContact CB-CE2 4.16Å; F488-F494 HydrophobicContact CB-CB 4.02Å; F488-F494 HydrophobicContact CD2-CB 4.02Å; F488-F494 HydrophobicContact CD2-CD2 4.15Å; F488-F494 HydrophobicContact CG-CB 4.08Å; V490-F494 PolarHBondContact O-N 2.92Å; G491-F494 CarbonylContact O-C 3.34Å; G491-F494 VanDerWaalsContact O-CA 3.31Å; G491-F494 WeakPolarHBondContact O-CA 3.47Å; G491-F494 VanDerWaalsContact O-CB 3.27Å; G491-F494 WeakPolarHBondContact O-CB 3.36Å; G491-F494 PolarHBondContact O-N 3.49Å; F494-K496 PolarHBondContact O-N 3.21Å; F494-H497 CarbonylContact O-C 3.34Å; F494-H497 WeakPolarHBondContact O-CA 3.32Å; F494-H497 WeakPolarHBondContact O-CB 3.5Å; F494-H497 PolarHBondContact O-N 3.1Å; F494-Q498 HydrophobicContact CD1-CG 4.35Å; F494-Q498 HydrophobicContact CD2-CG 4.29Å; F494-Q498 HydrophobicContact CE1-CG 4.05Å; F494-Q498 HydrophobicContact CE2-CG 3.96Å; F494-Q498 HydrophobicContact CG-CG 4.48Å; F494-Q498 HydrophobicContact CZ-CG 3.87Å; F494-Q498 PolarHBondContact O-N 2.94Å
495	D	82.1	Confident	83.6	Confident	77 Å²	77	66.3 Å²	66.3	41%	0.412	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-47.4	178.7	-47.5	-32.1	0	0	0	110.8	G491 Q492 H497 Q498 R499	G491-D495 PolarHBondContact O-N 3.3Å; Q492-D495 VanDerWaalsContact CA-OD2 3.26Å; Q492-D495 WeakPolarHBondContact CA-OD2 3.15Å; Q492-D495 PolarHBondContact N-OD2 3.5Å; D495-H497 PolarHBondContact O-N 2.92Å; D495-Q498 PolarHBondContact O-N 3.33Å; D495-R499 WeakPolarHBondContact O-CG 3.44Å; D495-R499 PolarHBondContact O-N 3.42Å
496	K	83.3	Confident	83.7	Confident	65 Å²	65	67.6 Å²	67.6	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-23.3	173.4	-73.2	-179.6	-174.2	-162.6	0	113.5	Q492 F494 D518	Q492-K496 WeakPolarHBondContact O-CB 3.49Å; Q492-K496 VanDerWaalsContact O-CG 3.24Å; Q492-K496 WeakPolarHBondContact O-CG 3.32Å; Q492-K496 PolarHBondContact O-N 3.18Å; F494-K496 PolarHBondContact O-N 3.21Å; K496-D518 WeakPolarHBondContact CD-OD1 3.31Å; K496-D518 WeakPolarHBondContact CE-OD1 3.37Å; K496-D518 IonicContact NZ-OD1 2.74Å; K496-D518 PolarHBondContact NZ-OD1 3.12Å
497	H	84.4	Confident	83.8	Confident	17 Å²	17	66.2 Å²	66.2	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-86	-38	174.6	169.6	43.2	0	0	0	112.5	C484 F488 A493 F494 D495 R499 T500 H501	C484-H497 PolarHBondContact SG-CE1 3.41Å; C484-H497 PolarHBondContact SG-NE2 3Å; F488-H497 HydrophobicContact CE1-CB 4.05Å; F488-H497 HydrophobicContact CE2-CB 4.17Å; F488-H497 AromaticContact CE2-CD2 3.18Å; F488-H497 WeakPolarHBondContact CE2-CD2 3.36Å; F488-H497 AromaticContact CE2-CG 3.88Å; F488-H497 HydrophobicContact CZ-CB 3.65Å; F488-H497 AromaticContact CZ-CD2 3.22Å; F488-H497 WeakPolarHBondContact CZ-CD2 3.32Å; F488-H497 AromaticContact CZ-CG 3.45Å; F488-H497 VanDerWaalsContact CZ-CG 3.45Å; A493-H497 WeakPolarHBondContact O-CB 3.35Å; A493-H497 PolarHBondContact O-N 3.08Å; F494-H497 CarbonylContact O-C 3.34Å; F494-H497 WeakPolarHBondContact O-CA 3.32Å; F494-H497 WeakPolarHBondContact O-CB 3.5Å; F494-H497 PolarHBondContact O-N 3.1Å; D495-H497 PolarHBondContact O-N 2.92Å; H497-R499 PolarHBondContact O-N 3.08Å; H497-T500 PolarHBondContact ND1-OG1 3.31Å; H497-T500 VanDerWaalsContact ND1-OG1 3.09Å; H497-T500 WeakPolarHBondContact O-CA 3.4Å; H497-T500 WeakPolarHBondContact O-CB 3.43Å; H497-T500 PolarHBondContact O-N 3.09Å; H497-T500 PolarHBondContact O-OG1 3.17Å; H497-H501 AromaticContact CE1-NE2 3.79Å
498	Q	81.5	Confident	83.7	Confident	46 Å²	46	69.5 Å²	69.5	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-56.7	-37.2	174	-72.9	-67.2	4.3	0	0	111.4	F494 D495 T500 H501 T502	F494-Q498 HydrophobicContact CD1-CG 4.35Å; F494-Q498 HydrophobicContact CD2-CG 4.29Å; F494-Q498 HydrophobicContact CE1-CG 4.05Å; F494-Q498 HydrophobicContact CE2-CG 3.96Å; F494-Q498 HydrophobicContact CG-CG 4.48Å; F494-Q498 HydrophobicContact CZ-CG 3.87Å; F494-Q498 PolarHBondContact O-N 2.94Å; D495-Q498 PolarHBondContact O-N 3.33Å; Q498-T500 PolarHBondContact O-N 3.33Å; Q498-H501 PolarHBondContact O-N 3.41Å; Q498-T502 PolarHBondContact O-N 3.3Å
499	R	84.9	Confident	83.8	Confident	61 Å²	61	67.4 Å²	67.4	23%	0.23	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-16.8	170.3	-63.7	-171.4	-179.3	150.4	8	115.8	D495 H497 H501 G503 E504 S517	D495-R499 WeakPolarHBondContact O-CG 3.44Å; D495-R499 PolarHBondContact O-N 3.42Å; H497-R499 PolarHBondContact O-N 3.08Å; R499-H501 VanDerWaalsContact C-N 3.29Å; R499-G503 PolarHBondContact O-N 2.87Å; R499-E504 HydrophobicContact CB-CB 4.1Å; R499-E504 HydrophobicContact CG-CB 3.79Å; R499-E504 IonicContact NE-OE2 3.45Å; R499-E504 PolarHBondContact NE-OE2 2.81Å; R499-S517 PolarHBondContact NH1-O 3.5Å; R499-S517 VanDerWaalsContact NH1-O 3.12Å
500	T	81.1	Confident	83.7	Confident	82 Å²	82	74.4 Å²	74.4	50%	0.503	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.6	173.1	68	0	0	0	0	113.1	H497 Q498	H497-T500 PolarHBondContact ND1-OG1 3.31Å; H497-T500 VanDerWaalsContact ND1-OG1 3.09Å; H497-T500 WeakPolarHBondContact O-CA 3.4Å; H497-T500 WeakPolarHBondContact O-CB 3.43Å; H497-T500 PolarHBondContact O-N 3.09Å; H497-T500 PolarHBondContact O-OG1 3.17Å; Q498-T500 PolarHBondContact O-N 3.33Å
501	H	80.8	Confident	83.3	Confident	85 Å²	85	76.7 Å²	76.7	39%	0.394	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-46.7	175.8	-52.7	-48.7	0	0	0	111.5	E483 C484 H497 Q498 R499 G503	E483-H501 WeakPolarHBondContact OE2-CB 3.44Å; E483-H501 IonicContact OE2-CD2 3.86Å; E483-H501 PolarHBondContact OE2-CD2 3.41Å; E483-H501 IonicContact OE2-CG 3.09Å; C484-H501 WeakPolarHBondContact CB-NE2 3.25Å; C484-H501 PolarHBondContact SG-NE2 2.82Å; H497-H501 AromaticContact CE1-NE2 3.79Å; Q498-H501 PolarHBondContact O-N 3.41Å; R499-H501 VanDerWaalsContact C-N 3.29Å; H501-G503 PolarHBondContact O-N 3.1Å; H501-G503 VanDerWaalsContact O-N 3.16Å
502	T	80.2	Confident	83.1	Confident	83 Å²	83	79.2 Å²	79.2	51%	0.509	40%	0.402	S	S	.	.	S	Bend	trans	-69	-10.6	176.4	67.4	0	0	0	0	113.6	Q498 E504	Q498-T502 PolarHBondContact O-N 3.3Å; T502-E504 PolarHBondContact O-N 3.3Å
503	G	80.3	Confident	82.9	Confident	39 Å²	39	75.4 Å²	75.4	40%	0.402	40%	0.399	S	S	.	.			trans	74.3	-2	179.9	0	0	0	0	0	115	R499 H501 K505	R499-G503 PolarHBondContact O-N 2.87Å; H501-G503 PolarHBondContact O-N 3.1Å; H501-G503 VanDerWaalsContact O-N 3.16Å; G503-K505 WeakPolarHBondContact O-CG 3.46Å; G503-K505 PolarHBondContact O-N 3.15Å
504	E	81	Confident	82.8	Confident	100 Å²	100	80.1 Å²	80.1	47%	0.467	41%	0.407	S	S	.	.			trans	-52.2	123	-179.2	-85.8	-179.3	-152.8	0	0	113.1	R499 T502 S517	R499-E504 HydrophobicContact CB-CB 4.1Å; R499-E504 HydrophobicContact CG-CB 3.79Å; R499-E504 IonicContact NE-OE2 3.45Å; R499-E504 PolarHBondContact NE-OE2 2.81Å; T502-E504 PolarHBondContact O-N 3.3Å; E504-S517 WeakPolarHBondContact O-CA 3.4Å; E504-S517 VanDerWaalsContact O-CB 3.24Å; E504-S517 WeakPolarHBondContact O-CB 3.16Å
505	K	84.7	Confident	82.8	Confident	127 Å²	127	80.1 Å²	80.1	55%	0.552	41%	0.412	S	S	*	.			trans	-127.8	73.9	178.5	-69.7	151.9	-171.7	162.8	0	111.1	G503 Y507 F516	G503-K505 WeakPolarHBondContact O-CG 3.46Å; G503-K505 PolarHBondContact O-N 3.15Å; K505-Y507 PolarHBondContact O-N 2.95Å; K505-F516 CarbonylContact C-O 3.58Å; K505-F516 VanDerWaalsContact CA-O 3.25Å; K505-F516 WeakPolarHBondContact CA-O 3.44Å
506	P	85.3	Confident	82.9	Confident	71 Å²	71	78.3 Å²	78.3	46%	0.461	40%	0.4	S	S	.	.			trans	-67.2	-6.3	-171.2	-21.9	35.5	0	0	0	116
507	Y	86.1	Confident	83	Confident	77 Å²	77	77 Å²	77	30%	0.302	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	91.6	-174.4	-52.1	-74.3	0	0	0	110.8	K505 S515 F516 D518 S519 F522	K505-Y507 PolarHBondContact O-N 2.95Å; Y507-S515 CarbonylContact O-C 3.58Å; Y507-S515 WeakPolarHBondContact O-CA 3.28Å; Y507-F516 WeakPolarHBondContact CD2-O 3.47Å; Y507-F516 PolarHBondContact N-O 3.41Å; Y507-F516 VanDerWaalsContact N-O 3.12Å; Y507-F516 PolarHBondContact O-N 3.45Å; Y507-D518 VanDerWaalsContact CD2-C 3.4Å; Y507-S519 VanDerWaalsContact CE2-N 3.29Å; Y507-F522 HydrophobicContact CG-CB 4.37Å
508	E	86.2	Confident	82.9	Confident	117 Å²	117	77.2 Å²	77.2	55%	0.547	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.5	-179	-178.3	177.4	159.9	0	0	113.4	K510 S515 F522	E508-K510 PolarHBondContact O-N 2.95Å; E508-S515 WeakPolarHBondContact CB-OG 3.38Å; E508-S515 WeakPolarHBondContact CG-OG 3.43Å; E508-F522 WeakPolarHBondContact O-CE2 3.21Å
509	C	88	Confident	83.2	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.014	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	100.4	173.5	-164.4	0	0	0	0	112.5	H511 C512 G513 R514 F522 H529	C509-H511 PolarHBondContact O-N 3.03Å; C509-C512 PolarHBondContact O-N 2.88Å; C509-G513 PolarHBondContact O-N 3.32Å; C509-R514 WeakPolarHBondContact CB-O 3.46Å; C509-R514 PolarHBondContact N-O 2.96Å; C509-F522 HydrophobicContact CB-CE2 4.18Å; C509-H529 VanDerWaalsContact SG-CD2 3.5Å; C509-H529 PolarHBondContact SG-NE2 2.98Å; C509-H529 VanDerWaalsContact SG-NE2 3.41Å
510	K	84.1	Confident	83.1	Confident	200 Å²	200	77.2 Å²	77.2	87%	0.87	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-14.8	175.7	-63.6	-175.4	176.4	-175.7	0	115.7	E508	E508-K510 PolarHBondContact O-N 2.95Å
511	H	78.6	Confident	83.2	Confident	136 Å²	136	75.6 Å²	75.6	63%	0.63	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-17.3	176.1	-66.6	-74	0	0	0	114.2	C509	C509-H511 PolarHBondContact O-N 3.03Å
512	C	81.5	Confident	83.5	Confident	64 Å²	64	73.1 Å²	73.1	43%	0.432	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	16	-176.4	65.3	0	0	0	0	115.3	C509 R514 H525 H529	C509-C512 PolarHBondContact O-N 2.88Å; C512-R514 PolarHBondContact O-N 3.21Å; C512-H525 PolarHBondContact SG-NE2 3.13Å; C512-H529 PolarHBondContact SG-NE2 3.18Å; C512-H529 VanDerWaalsContact SG-NE2 3.42Å
513	G	79.2	Confident	83.8	Confident	51 Å²	51	76.4 Å²	76.4	53%	0.526	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	9.1	179	0	0	0	0	0	115.4	C509	C509-G513 PolarHBondContact O-N 3.32Å
514	R	80.8	Confident	83.9	Confident	143 Å²	143	78.6 Å²	78.6	54%	0.54	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.1	-171.4	-161.9	172.7	-166.5	167.3	6.9	111.4	C509 C512 F516	C509-R514 WeakPolarHBondContact CB-O 3.46Å; C509-R514 PolarHBondContact N-O 2.96Å; C512-R514 PolarHBondContact O-N 3.21Å; R514-F516 HydrophobicContact CB-CE2 4.21Å; R514-F516 HydrophobicContact CB-CZ 4.5Å; R514-F516 HydrophobicContact CG-CE2 4.1Å; R514-F516 HydrophobicContact CG-CZ 4.01Å; R514-F516 WeakPolarHBondContact O-CD2 3.32Å; R514-F516 WeakPolarHBondContact O-CE2 3.41Å
515	S	85.1	Confident	84	Confident	40 Å²	40	74.9 Å²	74.9	28%	0.28	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.4	-174.8	-48.3	0	0	0	0	113.6	Y507 E508	Y507-S515 CarbonylContact O-C 3.58Å; Y507-S515 WeakPolarHBondContact O-CA 3.28Å; E508-S515 WeakPolarHBondContact CB-OG 3.38Å; E508-S515 WeakPolarHBondContact CG-OG 3.43Å
516	F	84.9	Confident	83.9	Confident	38 Å²	38	71.9 Å²	71.9	17%	0.167	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.5	-174.3	-58.4	-97.2	0	0	0	111.4	K505 Y507 R514 F522 H525	K505-F516 CarbonylContact C-O 3.58Å; K505-F516 VanDerWaalsContact CA-O 3.25Å; K505-F516 WeakPolarHBondContact CA-O 3.44Å; Y507-F516 WeakPolarHBondContact CD2-O 3.47Å; Y507-F516 PolarHBondContact N-O 3.41Å; Y507-F516 VanDerWaalsContact N-O 3.12Å; Y507-F516 PolarHBondContact O-N 3.45Å; R514-F516 HydrophobicContact CB-CE2 4.21Å; R514-F516 HydrophobicContact CB-CZ 4.5Å; R514-F516 HydrophobicContact CG-CE2 4.1Å; R514-F516 HydrophobicContact CG-CZ 4.01Å; R514-F516 WeakPolarHBondContact O-CD2 3.32Å; R514-F516 WeakPolarHBondContact O-CE2 3.41Å; F516-F522 HydrophobicContact CB-CB 4.18Å; F516-F522 HydrophobicContact CD2-CB 4.17Å; F516-F522 HydrophobicContact CD2-CD2 4.1Å; F516-F522 HydrophobicContact CG-CB 4.3Å; F516-H525 HydrophobicContact CE1-CB 4.02Å; F516-H525 HydrophobicContact CE2-CB 3.94Å; F516-H525 AromaticContact CE2-CD2 3.4Å; F516-H525 WeakPolarHBondContact CE2-CD2 3.41Å; F516-H525 AromaticContact CE2-CG 3.72Å; F516-H525 HydrophobicContact CZ-CB 3.47Å; F516-H525 VanDerWaalsContact CZ-CB 3.47Å; F516-H525 AromaticContact CZ-CD2 3.5Å; F516-H525 VanDerWaalsContact CZ-CD2 3.5Å; F516-H525 WeakPolarHBondContact CZ-CD2 3.31Å; F516-H525 AromaticContact CZ-CG 3.33Å; F516-H525 AromaticContact CZ-ND1 3.98Å
517	S	84.3	Confident	83.8	Confident	37 Å²	37	71.6 Å²	71.6	26%	0.259	36%	0.359	S	S	.	.	S	Bend	trans	-79.8	-16.8	177.6	52.7	0	0	0	0	114.3	R499 E504	R499-S517 PolarHBondContact NH1-O 3.5Å; R499-S517 VanDerWaalsContact NH1-O 3.12Å; E504-S517 WeakPolarHBondContact O-CA 3.4Å; E504-S517 VanDerWaalsContact O-CB 3.24Å; E504-S517 WeakPolarHBondContact O-CB 3.16Å
518	D	83.6	Confident	83.5	Confident	23 Å²	23	71.9 Å²	71.9	12%	0.123	37%	0.365	C	S	.	.	S	Bend	trans	-130.2	139.3	-179.7	180	59.7	0	0	0	112.5	K496 Y507 S520 S521 F522	K496-D518 WeakPolarHBondContact CD-OD1 3.31Å; K496-D518 WeakPolarHBondContact CE-OD1 3.37Å; K496-D518 IonicContact NZ-OD1 2.74Å; K496-D518 PolarHBondContact NZ-OD1 3.12Å; Y507-D518 VanDerWaalsContact CD2-C 3.4Å; D518-S520 WeakPolarHBondContact OD2-CA 3.34Å; D518-S520 WeakPolarHBondContact OD2-CB 3.41Å; D518-S520 PolarHBondContact OD2-N 2.82Å; D518-S520 PolarHBondContact OD2-OG 3.45Å; D518-S521 PolarHBondContact O-N 2.87Å; D518-S521 PolarHBondContact OD2-N 3.24Å; D518-F522 PolarHBondContact O-N 3.21Å; D518-F522 VanDerWaalsContact O-N 3.15Å
519	S	86.1	Confident	83.2	Confident	35 Å²	35	69.9 Å²	69.9	25%	0.245	36%	0.356	C	S	.	.	H	α-helix	trans	-69.2	-32.7	-177.4	52.7	0	0	0	0	113	Y507 F522 Y523	Y507-S519 VanDerWaalsContact CE2-N 3.29Å; S519-F522 WeakPolarHBondContact O-CB 3.23Å; S519-F522 PolarHBondContact O-N 2.98Å; S519-Y523 WeakPolarHBondContact O-CD2 3.46Å; S519-Y523 PolarHBondContact O-N 3.15Å
520	S	84.4	Confident	83	Confident	71 Å²	71	73.3 Å²	73.3	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-44.9	176.9	-14.8	0	0	0	0	110.6	D518 F522 Y523 Q524	D518-S520 WeakPolarHBondContact OD2-CA 3.34Å; D518-S520 WeakPolarHBondContact OD2-CB 3.41Å; D518-S520 PolarHBondContact OD2-N 2.82Å; D518-S520 PolarHBondContact OD2-OG 3.45Å; S520-F522 VanDerWaalsContact C-N 3.35Å; S520-Y523 PolarHBondContact O-N 2.27Å; S520-Q524 WeakPolarHBondContact O-CB 3.26Å; S520-Q524 PolarHBondContact O-N 3.21Å
521	S	82.7	Confident	82.8	Confident	48 Å²	48	65.6 Å²	65.6	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-39	174.9	-58.9	0	0	0	0	112.4	D518 Q524 H525	D518-S521 PolarHBondContact O-N 2.87Å; D518-S521 PolarHBondContact OD2-N 3.24Å; S521-Q524 PolarHBondContact O-N 2.84Å; S521-H525 WeakPolarHBondContact O-CB 3.4Å; S521-H525 PolarHBondContact O-N 3.07Å
522	F	87.8	Confident	83.1	Confident	34 Å²	34	64 Å²	64	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-53.1	174.6	167.1	-96.3	0	0	0	112.5	Y507 E508 C509 F516 D518 S519 S520 Q524 H525 Q526	Y507-F522 HydrophobicContact CG-CB 4.37Å; E508-F522 WeakPolarHBondContact O-CE2 3.21Å; C509-F522 HydrophobicContact CB-CE2 4.18Å; F516-F522 HydrophobicContact CB-CB 4.18Å; F516-F522 HydrophobicContact CD2-CB 4.17Å; F516-F522 HydrophobicContact CD2-CD2 4.1Å; F516-F522 HydrophobicContact CG-CB 4.3Å; D518-F522 PolarHBondContact O-N 3.21Å; D518-F522 VanDerWaalsContact O-N 3.15Å; S519-F522 WeakPolarHBondContact O-CB 3.23Å; S519-F522 PolarHBondContact O-N 2.98Å; S520-F522 VanDerWaalsContact C-N 3.35Å; F522-Q524 PolarHBondContact O-N 2.89Å; F522-H525 WeakPolarHBondContact O-CB 3.47Å; F522-H525 PolarHBondContact O-N 3.03Å; F522-H525 VanDerWaalsContact O-N 3.1Å; F522-Q526 PolarHBondContact O-N 3Å
523	Y	84.4	Confident	83.3	Confident	151 Å²	151	66.5 Å²	66.5	59%	0.592	35%	0.351	S	S	*	.	H	α-helix	trans	-63.1	-33.4	177.8	-78.5	-62.4	0	0	0	112.1	S519 S520 Q526	S519-Y523 WeakPolarHBondContact O-CD2 3.46Å; S519-Y523 PolarHBondContact O-N 3.15Å; S520-Y523 PolarHBondContact O-N 2.27Å; Y523-Q526 PolarHBondContact O-N 3.15Å
524	Q	83	Confident	83.6	Confident	86 Å²	86	67.4 Å²	67.4	40%	0.402	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-41	173.4	-175.6	171.6	28.5	0	0	111.9	S520 S521 F522 H546	S520-Q524 WeakPolarHBondContact O-CB 3.26Å; S520-Q524 PolarHBondContact O-N 3.21Å; S521-Q524 PolarHBondContact O-N 2.84Å; F522-Q524 PolarHBondContact O-N 2.89Å; Q524-H546 WeakPolarHBondContact CG-NE2 3.21Å; Q524-H546 PolarHBondContact NE2-CD2 3.27Å; Q524-H546 PolarHBondContact NE2-CE1 2.98Å; Q524-H546 VanDerWaalsContact NE2-CE1 3.32Å; Q524-H546 PolarHBondContact NE2-NE2 2.92Å
525	H	83.6	Confident	84	Confident	22 Å²	22	64.7 Å²	64.7	10%	0.102	34%	0.338	C	S	.	.	H	α-helix	trans	-67.7	-38.2	173.1	169.5	62.8	0	0	0	112.7	C512 F516 S521 F522 R527 I528 H529	C512-H525 PolarHBondContact SG-NE2 3.13Å; F516-H525 HydrophobicContact CE1-CB 4.02Å; F516-H525 HydrophobicContact CE2-CB 3.94Å; F516-H525 AromaticContact CE2-CD2 3.4Å; F516-H525 WeakPolarHBondContact CE2-CD2 3.41Å; F516-H525 AromaticContact CE2-CG 3.72Å; F516-H525 HydrophobicContact CZ-CB 3.47Å; F516-H525 VanDerWaalsContact CZ-CB 3.47Å; F516-H525 AromaticContact CZ-CD2 3.5Å; F516-H525 VanDerWaalsContact CZ-CD2 3.5Å; F516-H525 WeakPolarHBondContact CZ-CD2 3.31Å; F516-H525 AromaticContact CZ-CG 3.33Å; F516-H525 AromaticContact CZ-ND1 3.98Å; S521-H525 WeakPolarHBondContact O-CB 3.4Å; S521-H525 PolarHBondContact O-N 3.07Å; F522-H525 WeakPolarHBondContact O-CB 3.47Å; F522-H525 PolarHBondContact O-N 3.03Å; F522-H525 VanDerWaalsContact O-N 3.1Å; H525-R527 PolarHBondContact O-N 3.47Å; H525-R527 VanDerWaalsContact O-N 3.11Å; H525-I528 VanDerWaalsContact O-CB 3.32Å; H525-I528 WeakPolarHBondContact O-CB 3.48Å; H525-I528 WeakPolarHBondContact O-CG1 3.48Å; H525-I528 PolarHBondContact O-N 2.74Å; H525-H529 AromaticContact CE1-NE2 3.49Å; H525-H529 PolarHBondContact CE1-NE2 3.45Å; H525-H529 AromaticContact NE2-CD2 3.82Å; H525-H529 AromaticContact NE2-NE2 3.12Å; H525-H529 PolarHBondContact NE2-NE2 2.93Å; H525-H529 VanDerWaalsContact NE2-NE2 3.12Å
526	Q	81.9	Confident	84.1	Confident	63 Å²	63	68.8 Å²	68.8	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-57.5	-28.2	179.2	-168.5	177.5	2.5	0	0	112.9	F522 Y523 I528 H529 T530	F522-Q526 PolarHBondContact O-N 3Å; Y523-Q526 PolarHBondContact O-N 3.15Å; Q526-I528 PolarHBondContact O-N 3.31Å; Q526-H529 PolarHBondContact O-N 3.09Å; Q526-H529 VanDerWaalsContact O-N 3.13Å; Q526-T530 HydrophobicContact CG-CG2 4.41Å; Q526-T530 PolarHBondContact O-N 3.48Å; Q526-T530 PolarHBondContact O-OG1 3.43Å
527	R	84.3	Confident	84.4	Confident	65 Å²	65	67 Å²	67	25%	0.245	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-16.9	174	-65.1	-169.5	173	150.4	10.1	115.1	H525 T530 G531 E532 T545	H525-R527 PolarHBondContact O-N 3.47Å; H525-R527 VanDerWaalsContact O-N 3.11Å; R527-T530 WeakPolarHBondContact CA-OG1 3.44Å; R527-G531 CarbonylContact O-C 3.16Å; R527-G531 WeakPolarHBondContact O-CA 3.29Å; R527-G531 PolarHBondContact O-N 3.06Å; R527-G531 VanDerWaalsContact O-N 3.13Å; R527-E532 HydrophobicContact CB-CB 4.05Å; R527-E532 HydrophobicContact CG-CB 3.85Å; R527-E532 IonicContact NE-OE2 2.73Å; R527-E532 PolarHBondContact NE-OE2 3.22Å; R527-E532 PolarHBondContact O-N 2.97Å; R527-T545 PolarHBondContact NH1-O 2.88Å
528	I	79.6	Confident	84.7	Confident	83 Å²	83	72.7 Å²	72.7	43%	0.426	37%	0.37	S	S	.	.	H	α-helix	trans	-69.5	-50.5	172	-57.2	179	0	0	0	108.6	H525 Q526 G531	H525-I528 VanDerWaalsContact O-CB 3.32Å; H525-I528 WeakPolarHBondContact O-CB 3.48Å; H525-I528 WeakPolarHBondContact O-CG1 3.48Å; H525-I528 PolarHBondContact O-N 2.74Å; Q526-I528 PolarHBondContact O-N 3.31Å; I528-G531 PolarHBondContact O-N 2.73Å
529	H	80.4	Confident	84.8	Confident	76 Å²	76	77.3 Å²	77.3	35%	0.352	39%	0.391	S	S	.	.	H	α-helix	trans	-68.4	-39.3	-179.6	-58	-62.2	0	0	0	113.4	C509 C512 H525 Q526 G531	C509-H529 VanDerWaalsContact SG-CD2 3.5Å; C509-H529 PolarHBondContact SG-NE2 2.98Å; C509-H529 VanDerWaalsContact SG-NE2 3.41Å; C512-H529 PolarHBondContact SG-NE2 3.18Å; C512-H529 VanDerWaalsContact SG-NE2 3.42Å; H525-H529 AromaticContact CE1-NE2 3.49Å; H525-H529 PolarHBondContact CE1-NE2 3.45Å; H525-H529 AromaticContact NE2-CD2 3.82Å; H525-H529 AromaticContact NE2-NE2 3.12Å; H525-H529 PolarHBondContact NE2-NE2 2.93Å; H525-H529 VanDerWaalsContact NE2-NE2 3.12Å; Q526-H529 PolarHBondContact O-N 3.09Å; Q526-H529 VanDerWaalsContact O-N 3.13Å; H529-G531 VanDerWaalsContact C-N 3.3Å
530	T	82.4	Confident	84.9	Confident	74 Å²	74	78 Å²	78	45%	0.454	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-7.4	176.9	63.6	0	0	0	0	113.6	Q526 R527 E532	Q526-T530 HydrophobicContact CG-CG2 4.41Å; Q526-T530 PolarHBondContact O-N 3.48Å; Q526-T530 PolarHBondContact O-OG1 3.43Å; R527-T530 WeakPolarHBondContact CA-OG1 3.44Å; T530-E532 PolarHBondContact O-N 2.72Å; T530-E532 VanDerWaalsContact O-N 3.15Å; T530-E532 WeakPolarHBondContact OG1-CG 3.13Å
531	G	80.6	Confident	84.9	Confident	38 Å²	38	76.3 Å²	76.3	39%	0.392	39%	0.389	S	S	.	.			trans	66.8	4.8	-174.4	0	0	0	0	0	115.1	R527 I528 H529 K533	R527-G531 CarbonylContact O-C 3.16Å; R527-G531 WeakPolarHBondContact O-CA 3.29Å; R527-G531 PolarHBondContact O-N 3.06Å; R527-G531 VanDerWaalsContact O-N 3.13Å; I528-G531 PolarHBondContact O-N 2.73Å; H529-G531 VanDerWaalsContact C-N 3.3Å; G531-K533 WeakPolarHBondContact O-CG 3.41Å; G531-K533 PolarHBondContact O-N 2.92Å
532	E	83.9	Confident	84.9	Confident	102 Å²	102	79.9 Å²	79.9	48%	0.477	40%	0.399	S	S	.	.			trans	-56.8	117.5	-175.1	-91.1	-175.2	-154.5	0	0	112.8	R527 T530 P534	R527-E532 HydrophobicContact CB-CB 4.05Å; R527-E532 HydrophobicContact CG-CB 3.85Å; R527-E532 IonicContact NE-OE2 2.73Å; R527-E532 PolarHBondContact NE-OE2 3.22Å; R527-E532 PolarHBondContact O-N 2.97Å; T530-E532 PolarHBondContact O-N 2.72Å; T530-E532 VanDerWaalsContact O-N 3.15Å; T530-E532 WeakPolarHBondContact OG1-CG 3.13Å; E532-P534 WeakPolarHBondContact O-CD 3.42Å
533	K	86.6	Confident	84.8	Confident	117 Å²	117	80.6 Å²	80.6	51%	0.509	41%	0.408	S	S	.	.			trans	-125.8	75.2	178.7	-74.5	155.8	-172.2	167	0	110	G531 Y535 S543 F544 T545	G531-K533 WeakPolarHBondContact O-CG 3.41Å; G531-K533 PolarHBondContact O-N 2.92Å; K533-Y535 VanDerWaalsContact C-N 3.25Å; K533-Y535 PolarHBondContact O-N 2.86Å; K533-S543 WeakPolarHBondContact O-CB 3.42Å; K533-F544 CarbonylContact C-O 3.51Å; K533-F544 WeakPolarHBondContact CA-O 3.49Å; K533-T545 HydrophobicContact CG-CG2 3.87Å
534	P	86.3	Confident	84.7	Confident	70 Å²	70	75.6 Å²	75.6	46%	0.455	39%	0.389	S	S	.	.			trans	-66.2	-22.5	-171.2	-22.2	34.9	0	0	0	114.5	E532 K536	E532-P534 WeakPolarHBondContact O-CD 3.42Å; P534-K536 PolarHBondContact O-N 2.8Å
535	Y	88.4	Confident	84.7	Confident	86 Å²	86	73 Å²	73	34%	0.337	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	89.3	-171.3	-55.5	-77.7	0	0	0	110.6	K533 S543 F544 T545	K533-Y535 VanDerWaalsContact C-N 3.25Å; K533-Y535 PolarHBondContact O-N 2.86Å; Y535-S543 WeakPolarHBondContact O-CA 3.43Å; Y535-F544 PolarHBondContact N-O 2.95Å; Y535-F544 VanDerWaalsContact N-O 3.08Å; Y535-F544 WeakPolarHBondContact O-CD2 3.19Å; Y535-F544 PolarHBondContact O-N 3.08Å; Y535-T545 WeakPolarHBondContact CD2-O 3.43Å; Y535-T545 VanDerWaalsContact CE2-O 3.29Å; Y535-T545 WeakPolarHBondContact CE2-O 3.4Å
536	K	87.9	Confident	84.6	Confident	125 Å²	125	74.5 Å²	74.5	54%	0.543	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.6	179.7	-170.1	172.4	-178	-178.2	0	112.5	P534 L550	P534-K536 PolarHBondContact O-N 2.8Å; K536-L550 WeakPolarHBondContact O-CD2 3.5Å
537	C	90.8	Very high	84.7	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.007	39%	0.393	C	S	.	.			trans	-82.2	121.3	166.6	179.4	0	0	0	0	109.9	E539 C540 G541 K542 F544 L550 H557	C537-E539 VanDerWaalsContact C-N 3.3Å; C537-E539 PolarHBondContact O-N 3.28Å; C537-C540 VanDerWaalsContact SG-SG 3.7Å; C537-G541 WeakPolarHBondContact O-CA 3.46Å; C537-G541 PolarHBondContact O-N 2.99Å; C537-K542 VanDerWaalsContact CB-O 3.27Å; C537-K542 WeakPolarHBondContact CB-O 3.38Å; C537-K542 PolarHBondContact N-O 2.95Å; C537-F544 HydrophobicContact CB-CE2 4.35Å; C537-L550 HydrophobicContact CB-CD1 3.61Å; C537-H557 PolarHBondContact SG-NE2 3.5Å
538	N	90.1	Very high	84.7	Confident	156 Å²	156	74.3 Å²	74.3	83%	0.834	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.2	-178.7	-65.8	-13.4	0	0	0	113.2
539	E	86.2	Confident	84.8	Confident	121 Å²	121	72.1 Å²	72.1	57%	0.565	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-36.9	-174.1	-62.5	175.7	-95.7	0	0	113.5	C537 H557	C537-E539 VanDerWaalsContact C-N 3.3Å; C537-E539 PolarHBondContact O-N 3.28Å; E539-H557 WeakPolarHBondContact OE1-CB 3.45Å; E539-H557 IonicContact OE1-CD2 3.59Å; E539-H557 PolarHBondContact OE1-CD2 3.08Å; E539-H557 IonicContact OE1-CG 3.77Å; E539-H557 WeakPolarHBondContact OE2-CB 3.41Å; E539-H557 IonicContact OE2-CG 3.65Å
540	C	87.6	Confident	85.2	Confident	48 Å²	48	69.5 Å²	69.5	32%	0.324	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	6.5	-178.6	72.3	0	0	0	0	114.6	C537 K542 H553 H557	C537-C540 VanDerWaalsContact SG-SG 3.7Å; C540-K542 PolarHBondContact O-N 2.9Å; C540-H553 PolarHBondContact SG-NE2 3.16Å; C540-H557 WeakPolarHBondContact CB-CE1 3.2Å; C540-H557 PolarHBondContact SG-CE1 3.34Å; C540-H557 PolarHBondContact SG-NE2 3.01Å
541	G	83.9	Confident	85.3	Confident	36 Å²	36	69.1 Å²	69.1	37%	0.371	38%	0.383	S	S	.	.			trans	70.5	-8.6	177.6	0	0	0	0	0	116.4	C537	C537-G541 WeakPolarHBondContact O-CA 3.46Å; C537-G541 PolarHBondContact O-N 2.99Å
542	K	82.6	Confident	85.4	Confident	124 Å²	124	72.3 Å²	72.3	54%	0.539	39%	0.386	S	S	.	.			trans	-62.9	132.7	179.5	-67.5	178.9	-177.3	177	0	110.9	C537 C540 F544	C537-K542 VanDerWaalsContact CB-O 3.27Å; C537-K542 WeakPolarHBondContact CB-O 3.38Å; C537-K542 PolarHBondContact N-O 2.95Å; C540-K542 PolarHBondContact O-N 2.9Å; K542-F544 HydrophobicContact CB-CE2 4.08Å; K542-F544 HydrophobicContact CB-CZ 4.11Å; K542-F544 WeakPolarHBondContact O-CE2 3.15Å
543	S	85.6	Confident	85.4	Confident	49 Å²	49	68.3 Å²	68.3	34%	0.343	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.5	-179.8	-58.9	0	0	0	0	112.8	K533 Y535	K533-S543 WeakPolarHBondContact O-CB 3.42Å; Y535-S543 WeakPolarHBondContact O-CA 3.43Å
544	F	83.2	Confident	85.3	Confident	45 Å²	45	66.4 Å²	66.4	20%	0.197	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150	-174.5	-57.7	-87.9	0	0	0	111.7	K533 Y535 C537 K542 H546 L550 H553	K533-F544 CarbonylContact C-O 3.51Å; K533-F544 WeakPolarHBondContact CA-O 3.49Å; Y535-F544 PolarHBondContact N-O 2.95Å; Y535-F544 VanDerWaalsContact N-O 3.08Å; Y535-F544 WeakPolarHBondContact O-CD2 3.19Å; Y535-F544 PolarHBondContact O-N 3.08Å; C537-F544 HydrophobicContact CB-CE2 4.35Å; K542-F544 HydrophobicContact CB-CE2 4.08Å; K542-F544 HydrophobicContact CB-CZ 4.11Å; K542-F544 WeakPolarHBondContact O-CE2 3.15Å; F544-H546 VanDerWaalsContact C-N 3.32Å; F544-L550 HydrophobicContact CB-CB 4.45Å; F544-L550 HydrophobicContact CD2-CB 3.91Å; F544-L550 HydrophobicContact CD2-CD1 3.89Å; F544-L550 HydrophobicContact CD2-CG 4.5Å; F544-L550 HydrophobicContact CE2-CD1 4Å; F544-L550 HydrophobicContact CG-CB 4.38Å; F544-H553 HydrophobicContact CE1-CB 4.1Å; F544-H553 HydrophobicContact CE2-CB 3.91Å; F544-H553 AromaticContact CE2-CD2 3.49Å; F544-H553 VanDerWaalsContact CE2-CD2 3.49Å; F544-H553 WeakPolarHBondContact CE2-CD2 3.36Å; F544-H553 AromaticContact CE2-CG 3.68Å; F544-H553 HydrophobicContact CZ-CB 3.55Å; F544-H553 AromaticContact CZ-CD2 3.54Å; F544-H553 AromaticContact CZ-CG 3.28Å; F544-H553 AromaticContact CZ-ND1 3.78Å
545	T	81.9	Confident	85.3	Confident	33 Å²	33	66 Å²	66	20%	0.202	35%	0.349	C	S	.	.	S	Bend	trans	-68.1	-30.4	175.5	50	0	0	0	0	112.7	R527 K533 Y535	R527-T545 PolarHBondContact NH1-O 2.88Å; K533-T545 HydrophobicContact CG-CG2 3.87Å; Y535-T545 WeakPolarHBondContact CD2-O 3.43Å; Y535-T545 VanDerWaalsContact CE2-O 3.29Å; Y535-T545 WeakPolarHBondContact CE2-O 3.4Å
546	H	81.7	Confident	85.2	Confident	52 Å²	52	65.3 Å²	65.3	24%	0.241	35%	0.351	C	S	.	.	S	Bend	trans	-126.4	142.7	-176.1	-47.4	147.1	0	0	0	112.6	Q524 F544 S548 S549 L550	Q524-H546 WeakPolarHBondContact CG-NE2 3.21Å; Q524-H546 PolarHBondContact NE2-CD2 3.27Å; Q524-H546 PolarHBondContact NE2-CE1 2.98Å; Q524-H546 VanDerWaalsContact NE2-CE1 3.32Å; Q524-H546 PolarHBondContact NE2-NE2 2.92Å; F544-H546 VanDerWaalsContact C-N 3.32Å; H546-S548 VanDerWaalsContact C-N 3.33Å; H546-S548 PolarHBondContact O-N 3.39Å; H546-S549 WeakPolarHBondContact O-CB 3.21Å; H546-S549 PolarHBondContact O-N 3.31Å; H546-L550 PolarHBondContact O-N 3.42Å
547	S	85.4	Confident	85.1	Confident	63 Å²	63	63 Å²	63	44%	0.441	34%	0.342	S	S	.	.	H	α-helix	trans	-59.6	-41	174.4	53.4	0	0	0	0	112.5	S549 L550 S551	S547-S549 VanDerWaalsContact C-N 3.25Å; S547-S549 PolarHBondContact O-N 3.38Å; S547-L550 WeakPolarHBondContact O-CA 3.47Å; S547-L550 WeakPolarHBondContact O-CB 3.4Å; S547-L550 PolarHBondContact O-N 3.37Å; S547-L550 VanDerWaalsContact O-N 3.1Å; S547-S551 PolarHBondContact O-N 3.43Å; S547-S551 PolarHBondContact O-OG 3.27Å
548	S	83.1	Confident	84.9	Confident	61 Å²	61	66.7 Å²	66.7	43%	0.427	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-28	178.4	63.8	0	0	0	0	113.1	H546 K552	H546-S548 VanDerWaalsContact C-N 3.33Å; H546-S548 PolarHBondContact O-N 3.39Å; S548-K552 WeakPolarHBondContact O-CB 3.45Å; S548-K552 WeakPolarHBondContact O-CD 3.36Å; S548-K552 WeakPolarHBondContact O-CG 3.05Å; S548-K552 PolarHBondContact O-N 3.21Å; S548-K552 VanDerWaalsContact O-N 3.08Å
549	S	83.3	Confident	84.7	Confident	37 Å²	37	61 Å²	61	26%	0.259	34%	0.343	S	S	.	.	H	α-helix	trans	-71.9	-41.7	171.3	-61	0	0	0	0	111.3	H546 S547 K552 H553	H546-S549 WeakPolarHBondContact O-CB 3.21Å; H546-S549 PolarHBondContact O-N 3.31Å; S547-S549 VanDerWaalsContact C-N 3.25Å; S547-S549 PolarHBondContact O-N 3.38Å; S549-K552 PolarHBondContact O-N 2.73Å; S549-H553 WeakPolarHBondContact O-CB 3.46Å; S549-H553 PolarHBondContact O-N 2.83Å
550	L	86.8	Confident	84.7	Confident	22 Å²	22	60 Å²	60	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-47	171.8	173.5	60.6	0	0	0	111.6	K536 C537 F544 H546 S547 K552 H553 Q554	K536-L550 WeakPolarHBondContact O-CD2 3.5Å; C537-L550 HydrophobicContact CB-CD1 3.61Å; F544-L550 HydrophobicContact CB-CB 4.45Å; F544-L550 HydrophobicContact CD2-CB 3.91Å; F544-L550 HydrophobicContact CD2-CD1 3.89Å; F544-L550 HydrophobicContact CD2-CG 4.5Å; F544-L550 HydrophobicContact CE2-CD1 4Å; F544-L550 HydrophobicContact CG-CB 4.38Å; H546-L550 PolarHBondContact O-N 3.42Å; S547-L550 WeakPolarHBondContact O-CA 3.47Å; S547-L550 WeakPolarHBondContact O-CB 3.4Å; S547-L550 PolarHBondContact O-N 3.37Å; S547-L550 VanDerWaalsContact O-N 3.1Å; L550-K552 VanDerWaalsContact C-N 3.35Å; L550-K552 PolarHBondContact O-N 3.07Å; L550-H553 CarbonylContact O-C 3.59Å; L550-H553 WeakPolarHBondContact O-CA 3.38Å; L550-H553 WeakPolarHBondContact O-CB 3.49Å; L550-H553 PolarHBondContact O-N 3.29Å; L550-Q554 HydrophobicContact CD1-CG 4.04Å; L550-Q554 HydrophobicContact CG-CG 4.37Å; L550-Q554 WeakPolarHBondContact O-CG 3.37Å; L550-Q554 PolarHBondContact O-N 3.49Å
551	S	85.4	Confident	84.9	Confident	66 Å²	66	61.6 Å²	61.6	46%	0.462	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-35.8	179.1	-53.7	0	0	0	0	113.1	S547 H553	S547-S551 PolarHBondContact O-N 3.43Å; S547-S551 PolarHBondContact O-OG 3.27Å; S551-H553 VanDerWaalsContact C-N 3.3Å
552	K	82.8	Confident	85	Confident	105 Å²	105	63.2 Å²	63.2	46%	0.457	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-35.9	169.8	-73.8	166.6	-176.1	175.3	0	111.8	S548 S549 L550	S548-K552 WeakPolarHBondContact O-CB 3.45Å; S548-K552 WeakPolarHBondContact O-CD 3.36Å; S548-K552 WeakPolarHBondContact O-CG 3.05Å; S548-K552 PolarHBondContact O-N 3.21Å; S548-K552 VanDerWaalsContact O-N 3.08Å; S549-K552 PolarHBondContact O-N 2.73Å; L550-K552 VanDerWaalsContact C-N 3.35Å; L550-K552 PolarHBondContact O-N 3.07Å
553	H	84.4	Confident	85.4	Confident	18 Å²	18	60.9 Å²	60.9	8%	0.083	33%	0.332	C	S	.	.	H	α-helix	trans	-73.3	-37.2	177.7	172.7	68.1	0	0	0	113.1	C540 F544 S549 L550 S551 R555 I556 H557	C540-H553 PolarHBondContact SG-NE2 3.16Å; F544-H553 HydrophobicContact CE1-CB 4.1Å; F544-H553 HydrophobicContact CE2-CB 3.91Å; F544-H553 AromaticContact CE2-CD2 3.49Å; F544-H553 VanDerWaalsContact CE2-CD2 3.49Å; F544-H553 WeakPolarHBondContact CE2-CD2 3.36Å; F544-H553 AromaticContact CE2-CG 3.68Å; F544-H553 HydrophobicContact CZ-CB 3.55Å; F544-H553 AromaticContact CZ-CD2 3.54Å; F544-H553 AromaticContact CZ-CG 3.28Å; F544-H553 AromaticContact CZ-ND1 3.78Å; S549-H553 WeakPolarHBondContact O-CB 3.46Å; S549-H553 PolarHBondContact O-N 2.83Å; L550-H553 CarbonylContact O-C 3.59Å; L550-H553 WeakPolarHBondContact O-CA 3.38Å; L550-H553 WeakPolarHBondContact O-CB 3.49Å; L550-H553 PolarHBondContact O-N 3.29Å; S551-H553 VanDerWaalsContact C-N 3.3Å; H553-R555 PolarHBondContact O-N 3.42Å; H553-I556 WeakPolarHBondContact O-CA 3.5Å; H553-I556 WeakPolarHBondContact O-CB 3.25Å; H553-I556 VanDerWaalsContact O-CG1 3.31Å; H553-I556 WeakPolarHBondContact O-CG1 3.42Å; H553-I556 PolarHBondContact O-N 3.38Å; H553-H557 AromaticContact CD2-NE2 3.16Å; H553-H557 PolarHBondContact CD2-NE2 3.35Å; H553-H557 AromaticContact CE1-NE2 3.09Å; H553-H557 PolarHBondContact CE1-NE2 2.92Å; H553-H557 AromaticContact NE2-NE2 2.28Å; H553-H557 PolarHBondContact NE2-NE2 3.13Å
554	Q	83.8	Confident	85.6	Confident	77 Å²	77	64.6 Å²	64.6	36%	0.36	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-30.7	179.7	-75.2	171.7	-70.4	0	0	112.9	L550 I556 H557 T558	L550-Q554 HydrophobicContact CD1-CG 4.04Å; L550-Q554 HydrophobicContact CG-CG 4.37Å; L550-Q554 WeakPolarHBondContact O-CG 3.37Å; L550-Q554 PolarHBondContact O-N 3.49Å; Q554-I556 PolarHBondContact O-N 3.03Å; Q554-H557 PolarHBondContact O-N 3.01Å; Q554-T558 PolarHBondContact O-N 2.86Å; Q554-T558 VanDerWaalsContact O-N 3.13Å
555	R	87.1	Confident	86	Confident	61 Å²	61	62.5 Å²	62.5	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-57.5	-18.9	170.8	-60.9	-177.9	176.6	164	2	113.9	H553 G559 E560 R573	H553-R555 PolarHBondContact O-N 3.42Å; R555-G559 PolarHBondContact O-N 3Å; R555-E560 HydrophobicContact CB-CB 4.39Å; R555-E560 HydrophobicContact CG-CB 4.3Å; R555-E560 IonicContact NE-OE2 3.77Å; R555-R573 HydrophobicContact CB-CB 4.44Å; R555-R573 HydrophobicContact CB-CG 3.96Å; R555-R573 PolarHBondContact NH1-O 3.32Å; R555-R573 WeakPolarHBondContact O-CD 3.41Å; R555-R573 VanDerWaalsContact O-CZ 3.27Å; R555-R573 PolarHBondContact O-NE 2.82Å; R555-R573 PolarHBondContact O-NH2 3.19Å
556	I	86.4	Confident	86.5	Confident	72 Å²	72	68 Å²	68	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-65.6	-40.8	173.8	-61.1	-173.9	0	0	0	111	H553 Q554 R573	H553-I556 WeakPolarHBondContact O-CA 3.5Å; H553-I556 WeakPolarHBondContact O-CB 3.25Å; H553-I556 VanDerWaalsContact O-CG1 3.31Å; H553-I556 WeakPolarHBondContact O-CG1 3.42Å; H553-I556 PolarHBondContact O-N 3.38Å; Q554-I556 PolarHBondContact O-N 3.03Å; I556-R573 VanDerWaalsContact CA-CZ 3.45Å; I556-R573 PolarHBondContact O-NH2 3.33Å
557	H	85.6	Confident	86.8	Confident	75 Å²	75	70.7 Å²	70.7	35%	0.347	37%	0.374	S	S	.	.	H	α-helix	trans	-84.2	-45.7	-179.7	-50.6	-59.1	0	0	0	112	C537 E539 C540 H553 Q554 G559	C537-H557 PolarHBondContact SG-NE2 3.5Å; E539-H557 WeakPolarHBondContact OE1-CB 3.45Å; E539-H557 IonicContact OE1-CD2 3.59Å; E539-H557 PolarHBondContact OE1-CD2 3.08Å; E539-H557 IonicContact OE1-CG 3.77Å; E539-H557 WeakPolarHBondContact OE2-CB 3.41Å; E539-H557 IonicContact OE2-CG 3.65Å; C540-H557 WeakPolarHBondContact CB-CE1 3.2Å; C540-H557 PolarHBondContact SG-CE1 3.34Å; C540-H557 PolarHBondContact SG-NE2 3.01Å; H553-H557 AromaticContact CD2-NE2 3.16Å; H553-H557 PolarHBondContact CD2-NE2 3.35Å; H553-H557 AromaticContact CE1-NE2 3.09Å; H553-H557 PolarHBondContact CE1-NE2 2.92Å; H553-H557 AromaticContact NE2-NE2 2.28Å; H553-H557 PolarHBondContact NE2-NE2 3.13Å; Q554-H557 PolarHBondContact O-N 3.01Å; H557-G559 PolarHBondContact O-N 3.08Å; H557-G559 VanDerWaalsContact O-N 3.08Å
558	T	86.3	Confident	87	Confident	79 Å²	79	70.2 Å²	70.2	49%	0.485	37%	0.37	S	S	.	.	H	α-helix	trans	-68.5	-9.3	-179.6	67.6	0	0	0	0	114.2	Q554 E560	Q554-T558 PolarHBondContact O-N 2.86Å; Q554-T558 VanDerWaalsContact O-N 3.13Å; T558-E560 PolarHBondContact O-N 3.18Å; T558-E560 VanDerWaalsContact O-N 3.09Å; T558-E560 WeakPolarHBondContact OG1-CG 3.32Å; T558-E560 PolarHBondContact OG1-OE1 3.35Å
559	G	86.4	Confident	87.2	Confident	37 Å²	37	68.7 Å²	68.7	38%	0.381	36%	0.364	S	S	.	.			trans	76.9	-15.6	-179.1	0	0	0	0	0	114.8	R555 H557 K561	R555-G559 PolarHBondContact O-N 3Å; H557-G559 PolarHBondContact O-N 3.08Å; H557-G559 VanDerWaalsContact O-N 3.08Å; G559-K561 PolarHBondContact O-N 2.82Å
560	E	86.5	Confident	87.5	Confident	100 Å²	100	70.8 Å²	70.8	47%	0.467	37%	0.368	S	S	.	.			trans	-44.9	124.3	-175.8	-78.1	172.9	-151	0	0	113.1	R555 T558 P562 R573	R555-E560 HydrophobicContact CB-CB 4.39Å; R555-E560 HydrophobicContact CG-CB 4.3Å; R555-E560 IonicContact NE-OE2 3.77Å; T558-E560 PolarHBondContact O-N 3.18Å; T558-E560 VanDerWaalsContact O-N 3.09Å; T558-E560 WeakPolarHBondContact OG1-CG 3.32Å; T558-E560 PolarHBondContact OG1-OE1 3.35Å; E560-P562 HydrophobicContact CB-CG 4.41Å; E560-R573 WeakPolarHBondContact O-CG 3.48Å
561	K	90.8	Very high	87.5	Confident	82 Å²	82	71.4 Å²	71.4	36%	0.357	37%	0.374	S	S	.	.			trans	-121.8	75.3	173.6	-78.6	168.5	160.3	-175.5	0	108.8	D269 G559 Y563 S571 F572	D269-K561 IonicContact OD2-NZ 3.04Å; D269-K561 PolarHBondContact OD2-NZ 3.01Å; G559-K561 PolarHBondContact O-N 2.82Å; K561-Y563 VanDerWaalsContact C-N 3.31Å; K561-Y563 PolarHBondContact O-N 3.07Å; K561-S571 WeakPolarHBondContact CD-O 3.2Å; K561-S571 WeakPolarHBondContact CE-O 3.47Å; K561-S571 WeakPolarHBondContact CG-O 3.34Å; K561-F572 CarbonylContact C-O 3.59Å; K561-F572 WeakPolarHBondContact CA-O 3.37Å
562	P	87.2	Confident	87.5	Confident	70 Å²	70	69.8 Å²	69.8	46%	0.455	36%	0.359	S	S	.	.			trans	-69.8	-20.5	-166.8	-21.2	34.8	0	0	0	115.6	E560 F572	E560-P562 HydrophobicContact CB-CG 4.41Å; P562-F572 WeakPolarHBondContact CD-O 3.22Å; P562-F572 VanDerWaalsContact N-O 3.16Å
563	Y	89.6	Confident	87.4	Confident	74 Å²	74	66.5 Å²	66.5	29%	0.29	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	101.8	-174.9	-53.1	-85.1	0	0	0	109	K561 S571 F572 R573 N575	K561-Y563 VanDerWaalsContact C-N 3.31Å; K561-Y563 PolarHBondContact O-N 3.07Å; Y563-S571 CarbonylContact O-C 3.46Å; Y563-S571 WeakPolarHBondContact O-CA 3.41Å; Y563-F572 WeakPolarHBondContact CD2-O 3.45Å; Y563-F572 PolarHBondContact N-O 3.12Å; Y563-F572 VanDerWaalsContact N-O 3.12Å; Y563-F572 WeakPolarHBondContact O-CD2 3.4Å; Y563-F572 PolarHBondContact O-N 3.12Å; Y563-R573 WeakPolarHBondContact CE2-O 3.46Å; Y563-N575 HydrophobicContact CD1-CB 3.75Å; Y563-N575 VanDerWaalsContact CD1-OD1 3.25Å; Y563-N575 WeakPolarHBondContact CD1-OD1 3.47Å; Y563-N575 HydrophobicContact CE1-CB 3.66Å; Y563-N575 HydrophobicContact CG-CB 4.27Å
564	K	90.6	Very high	87.3	Confident	128 Å²	128	68.9 Å²	68.9	56%	0.557	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.4	-179.4	-179.4	172.1	179.6	-172.8	0	110.9	G569 S571	K564-G569 VanDerWaalsContact CE-CA 3.5Å; K564-G569 WeakPolarHBondContact CE-O 3.39Å; K564-S571 WeakPolarHBondContact CB-OG 3.38Å; K564-S571 WeakPolarHBondContact CG-OG 3.42Å
565	C	91.6	Very high	87.2	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.007	36%	0.359	C	S	.	.			trans	-74.2	131.8	165.5	171.2	0	0	0	0	109.7	C568 G569 K570 F572 L578 H585	C565-C568 VanDerWaalsContact SG-SG 3.69Å; C565-G569 WeakPolarHBondContact O-CA 3.43Å; C565-G569 PolarHBondContact O-N 3.42Å; C565-G569 VanDerWaalsContact O-N 3.15Å; C565-K570 WeakPolarHBondContact CB-O 3.47Å; C565-K570 PolarHBondContact N-O 3.06Å; C565-F572 HydrophobicContact CB-CE2 4.48Å; C565-L578 HydrophobicContact CB-CD1 3.66Å; C565-H585 PolarHBondContact SG-NE2 2.63Å
566	N	91.4	Very high	86.8	Confident	149 Å²	149	69.8 Å²	69.8	80%	0.797	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-36.5	-179	-67.4	-28.1	0	0	0	111.7
567	E	88.8	Confident	86.5	Confident	107 Å²	107	67 Å²	67	50%	0.5	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-53.9	-175.5	-56.4	115.7	-86.2	0	0	113.2	H585	E567-H585 VanDerWaalsContact OE2-CB 3.22Å; E567-H585 WeakPolarHBondContact OE2-CB 3.35Å; E567-H585 IonicContact OE2-CD2 3.15Å; E567-H585 PolarHBondContact OE2-CD2 3.27Å; E567-H585 IonicContact OE2-CG 2.68Å
568	C	89.3	Confident	86.4	Confident	53 Å²	53	64.2 Å²	64.2	36%	0.358	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	2.9	-176.3	77.6	0	0	0	0	114.6	C565 K570 H581 H585	C565-C568 VanDerWaalsContact SG-SG 3.69Å; C568-K570 PolarHBondContact O-N 3.41Å; C568-H581 PolarHBondContact SG-NE2 3.5Å; C568-H585 WeakPolarHBondContact CB-CE1 3.29Å; C568-H585 PolarHBondContact SG-CE1 3.07Å; C568-H585 PolarHBondContact SG-NE2 3.21Å
569	G	87.6	Confident	86.1	Confident	29 Å²	29	63.4 Å²	63.4	30%	0.299	34%	0.342	S	S	.	.			trans	70.3	-8.4	178.4	0	0	0	0	0	117	K564 C565 S571	K564-G569 VanDerWaalsContact CE-CA 3.5Å; K564-G569 WeakPolarHBondContact CE-O 3.39Å; C565-G569 WeakPolarHBondContact O-CA 3.43Å; C565-G569 PolarHBondContact O-N 3.42Å; C565-G569 VanDerWaalsContact O-N 3.15Å; G569-S571 PolarHBondContact O-OG 3.29Å
570	K	88.4	Confident	85.8	Confident	81 Å²	81	66.2 Å²	66.2	35%	0.352	34%	0.341	S	S	.	.			trans	-61.5	139.2	178.7	-70.3	-176.6	169.3	-174.2	0	110.8	D270 C565 C568 F572	D270-K570 IonicContact OD1-NZ 3.12Å; D270-K570 PolarHBondContact OD1-NZ 3.2Å; C565-K570 WeakPolarHBondContact CB-O 3.47Å; C565-K570 PolarHBondContact N-O 3.06Å; C568-K570 PolarHBondContact O-N 3.41Å; K570-F572 HydrophobicContact CB-CE2 4.23Å; K570-F572 HydrophobicContact CB-CZ 4.19Å; K570-F572 WeakPolarHBondContact O-CE2 3.29Å
571	S	88.6	Confident	85.6	Confident	36 Å²	36	62.6 Å²	62.6	25%	0.252	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.7	-173.4	-55.3	0	0	0	0	113.7	K561 Y563 K564 G569	K561-S571 WeakPolarHBondContact CD-O 3.2Å; K561-S571 WeakPolarHBondContact CE-O 3.47Å; K561-S571 WeakPolarHBondContact CG-O 3.34Å; Y563-S571 CarbonylContact O-C 3.46Å; Y563-S571 WeakPolarHBondContact O-CA 3.41Å; K564-S571 WeakPolarHBondContact CB-OG 3.38Å; K564-S571 WeakPolarHBondContact CG-OG 3.42Å; G569-S571 PolarHBondContact O-OG 3.29Å
572	F	83.9	Confident	85.1	Confident	32 Å²	32	62 Å²	62	14%	0.14	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.6	-167.7	-55.5	-89.7	0	0	0	112.8	K561 P562 Y563 C565 K570 Q574 C577 L578 H581	K561-F572 CarbonylContact C-O 3.59Å; K561-F572 WeakPolarHBondContact CA-O 3.37Å; P562-F572 WeakPolarHBondContact CD-O 3.22Å; P562-F572 VanDerWaalsContact N-O 3.16Å; Y563-F572 WeakPolarHBondContact CD2-O 3.45Å; Y563-F572 PolarHBondContact N-O 3.12Å; Y563-F572 VanDerWaalsContact N-O 3.12Å; Y563-F572 WeakPolarHBondContact O-CD2 3.4Å; Y563-F572 PolarHBondContact O-N 3.12Å; C565-F572 HydrophobicContact CB-CE2 4.48Å; K570-F572 HydrophobicContact CB-CE2 4.23Å; K570-F572 HydrophobicContact CB-CZ 4.19Å; K570-F572 WeakPolarHBondContact O-CE2 3.29Å; F572-Q574 VanDerWaalsContact C-N 3.33Å; F572-Q574 PolarHBondContact O-N 3.16Å; F572-C577 HydrophobicContact CB-CB 4.03Å; F572-C577 HydrophobicContact CD1-CB 3.87Å; F572-C577 HydrophobicContact CG-CB 4.16Å; F572-L578 HydrophobicContact CD2-CB 4.03Å; F572-L578 HydrophobicContact CD2-CD1 4.09Å; F572-L578 HydrophobicContact CE2-CD1 4.13Å; F572-H581 HydrophobicContact CE1-CB 4.23Å; F572-H581 HydrophobicContact CE2-CB 4.16Å; F572-H581 AromaticContact CE2-CD2 3.32Å; F572-H581 WeakPolarHBondContact CE2-CD2 3.32Å; F572-H581 AromaticContact CE2-CG 3.93Å; F572-H581 HydrophobicContact CZ-CB 3.7Å; F572-H581 AromaticContact CZ-CD2 3.28Å; F572-H581 WeakPolarHBondContact CZ-CD2 3.22Å; F572-H581 AromaticContact CZ-CG 3.48Å; F572-H581 VanDerWaalsContact CZ-CG 3.48Å; F572-H581 AromaticContact CZ-NE2 3.99Å
573	R	81.9	Confident	85	Confident	36 Å²	36	61.5 Å²	61.5	14%	0.136	31%	0.311	C	S	.	.	S	Bend	trans	-72.6	-18.6	175.1	-77.1	169	-170.6	158.7	-12.6	114.7	Y265 R555 I556 E560 Y563	Y265-R573 HydrophobicContact CE1-CB 3.62Å; Y265-R573 HydrophobicContact CE1-CG 4.06Å; Y265-R573 HydrophobicContact CE2-CG 4.33Å; Y265-R573 WeakPolarHBondContact OH-CB 3.21Å; Y265-R573 WeakPolarHBondContact OH-CD 3.41Å; Y265-R573 VanDerWaalsContact OH-CG 3.25Å; Y265-R573 WeakPolarHBondContact OH-CG 3.39Å; Y265-R573 PolarHBondContact OH-N 2.84Å; R555-R573 HydrophobicContact CB-CB 4.44Å; R555-R573 HydrophobicContact CB-CG 3.96Å; R555-R573 PolarHBondContact NH1-O 3.32Å; R555-R573 WeakPolarHBondContact O-CD 3.41Å; R555-R573 VanDerWaalsContact O-CZ 3.27Å; R555-R573 PolarHBondContact O-NE 2.82Å; R555-R573 PolarHBondContact O-NH2 3.19Å; I556-R573 VanDerWaalsContact CA-CZ 3.45Å; I556-R573 PolarHBondContact O-NH2 3.33Å; E560-R573 WeakPolarHBondContact O-CG 3.48Å; Y563-R573 WeakPolarHBondContact CE2-O 3.46Å
574	Q	82.6	Confident	84.7	Confident	68 Å²	68	62.3 Å²	62.3	32%	0.318	33%	0.325	S	S	.	.	S	Bend	trans	-140.3	144	-174.2	-56.1	-171.3	18.5	0	0	111.8	F572 S576 C577 L578	F572-Q574 VanDerWaalsContact C-N 3.33Å; F572-Q574 PolarHBondContact O-N 3.16Å; Q574-S576 PolarHBondContact O-N 3.29Å; Q574-C577 WeakPolarHBondContact O-CB 3.32Å; Q574-C577 PolarHBondContact O-N 2.8Å; Q574-L578 PolarHBondContact O-N 3.48Å
575	N	80.8	Confident	84.5	Confident	84 Å²	84	60.3 Å²	60.3	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-39	-179.1	-161.4	72.9	0	0	0	112.9	Y563 C577 L578 T579	Y563-N575 HydrophobicContact CD1-CB 3.75Å; Y563-N575 VanDerWaalsContact CD1-OD1 3.25Å; Y563-N575 WeakPolarHBondContact CD1-OD1 3.47Å; Y563-N575 HydrophobicContact CE1-CB 3.66Å; Y563-N575 HydrophobicContact CG-CB 4.27Å; N575-C577 PolarHBondContact O-N 3.14Å; N575-L578 WeakPolarHBondContact O-CA 3.5Å; N575-L578 WeakPolarHBondContact O-CB 3.17Å; N575-L578 PolarHBondContact O-N 3.1Å; N575-T579 PolarHBondContact O-N 2.7Å; N575-T579 PolarHBondContact O-OG1 2.98Å
576	S	79.3	Confident	84.1	Confident	73 Å²	73	64.1 Å²	64.1	51%	0.51	34%	0.34	S	S	.	.	H	α-helix	trans	-58	-32.4	176	46.6	0	0	0	0	113.1	Q574 R580	Q574-S576 PolarHBondContact O-N 3.29Å; S576-R580 VanDerWaalsContact O-CB 3.25Å; S576-R580 WeakPolarHBondContact O-CB 3.32Å; S576-R580 PolarHBondContact O-N 2.93Å
577	C	79.8	Confident	83.8	Confident	12 Å²	12	59.1 Å²	59.1	8%	0.081	32%	0.324	C	S	.	.	H	α-helix	trans	-71.6	-37.4	173.2	-61.9	0	0	0	0	112.1	F572 Q574 N575 H581	F572-C577 HydrophobicContact CB-CB 4.03Å; F572-C577 HydrophobicContact CD1-CB 3.87Å; F572-C577 HydrophobicContact CG-CB 4.16Å; Q574-C577 WeakPolarHBondContact O-CB 3.32Å; Q574-C577 PolarHBondContact O-N 2.8Å; N575-C577 PolarHBondContact O-N 3.14Å; C577-H581 VanDerWaalsContact O-CB 3.32Å; C577-H581 WeakPolarHBondContact O-CB 3.48Å; C577-H581 PolarHBondContact O-N 2.93Å
578	L	83.9	Confident	83.5	Confident	17 Å²	17	58.2 Å²	58.2	9%	0.089	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-51.3	174	173.2	59.1	0	0	0	111.1	C565 F572 Q574 N575 R580 H581 Q582	C565-L578 HydrophobicContact CB-CD1 3.66Å; F572-L578 HydrophobicContact CD2-CB 4.03Å; F572-L578 HydrophobicContact CD2-CD1 4.09Å; F572-L578 HydrophobicContact CE2-CD1 4.13Å; Q574-L578 PolarHBondContact O-N 3.48Å; N575-L578 WeakPolarHBondContact O-CA 3.5Å; N575-L578 WeakPolarHBondContact O-CB 3.17Å; N575-L578 PolarHBondContact O-N 3.1Å; L578-R580 VanDerWaalsContact C-N 3.28Å; L578-R580 PolarHBondContact O-N 2.77Å; L578-H581 CarbonylContact O-C 3.49Å; L578-H581 WeakPolarHBondContact O-CA 3.24Å; L578-H581 WeakPolarHBondContact O-CB 3.3Å; L578-H581 PolarHBondContact O-N 3.37Å; L578-Q582 HydrophobicContact CD1-CG 4.11Å; L578-Q582 WeakPolarHBondContact O-CG 3.39Å; L578-Q582 PolarHBondContact O-N 3.19Å
579	T	80.1	Confident	83.3	Confident	63 Å²	63	61.7 Å²	61.7	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-39.6	178.1	-51.1	0	0	0	0	111.9	N575 H581 Q582	N575-T579 PolarHBondContact O-N 2.7Å; N575-T579 PolarHBondContact O-OG1 2.98Å; T579-H581 VanDerWaalsContact C-N 3.31Å; T579-H581 PolarHBondContact O-N 3.03Å; T579-Q582 PolarHBondContact O-N 3.09Å
580	R	78.9	Confident	83	Confident	96 Å²	96	63.6 Å²	63.6	36%	0.362	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-38	171.3	169.9	162.7	70.5	-166.6	4.5	112.8	C266 S576 L578 L602	C266-R580 PolarHBondContact SG-NH2 2.88Å; S576-R580 VanDerWaalsContact O-CB 3.25Å; S576-R580 WeakPolarHBondContact O-CB 3.32Å; S576-R580 PolarHBondContact O-N 2.93Å; L578-R580 VanDerWaalsContact C-N 3.28Å; L578-R580 PolarHBondContact O-N 2.77Å; R580-L602 VanDerWaalsContact CD-CD2 3.43Å; R580-L602 HydrophobicContact CG-CD2 3.88Å
581	H	82.6	Confident	82.8	Confident	23 Å²	23	63.2 Å²	63.2	11%	0.106	33%	0.333	C	S	.	.	H	α-helix	trans	-75	-32.5	180	166.9	50.2	0	0	0	112.9	C568 F572 C577 L578 T579 R583 T584 H585	C568-H581 PolarHBondContact SG-NE2 3.5Å; F572-H581 HydrophobicContact CE1-CB 4.23Å; F572-H581 HydrophobicContact CE2-CB 4.16Å; F572-H581 AromaticContact CE2-CD2 3.32Å; F572-H581 WeakPolarHBondContact CE2-CD2 3.32Å; F572-H581 AromaticContact CE2-CG 3.93Å; F572-H581 HydrophobicContact CZ-CB 3.7Å; F572-H581 AromaticContact CZ-CD2 3.28Å; F572-H581 WeakPolarHBondContact CZ-CD2 3.22Å; F572-H581 AromaticContact CZ-CG 3.48Å; F572-H581 VanDerWaalsContact CZ-CG 3.48Å; F572-H581 AromaticContact CZ-NE2 3.99Å; C577-H581 VanDerWaalsContact O-CB 3.32Å; C577-H581 WeakPolarHBondContact O-CB 3.48Å; C577-H581 PolarHBondContact O-N 2.93Å; L578-H581 CarbonylContact O-C 3.49Å; L578-H581 WeakPolarHBondContact O-CA 3.24Å; L578-H581 WeakPolarHBondContact O-CB 3.3Å; L578-H581 PolarHBondContact O-N 3.37Å; T579-H581 VanDerWaalsContact C-N 3.31Å; T579-H581 PolarHBondContact O-N 3.03Å; H581-R583 PolarHBondContact O-N 3.18Å; H581-T584 PolarHBondContact CE1-OG1 3.11Å; H581-T584 PolarHBondContact ND1-OG1 3.47Å; H581-T584 WeakPolarHBondContact O-CB 3.28Å; H581-T584 PolarHBondContact O-N 3.44Å; H581-T584 PolarHBondContact O-OG1 3Å; H581-H585 AromaticContact CD2-NE2 3.21Å; H581-H585 PolarHBondContact CD2-NE2 2.96Å; H581-H585 AromaticContact CE1-CE1 3.38Å; H581-H585 PolarHBondContact CE1-CE1 3.24Å; H581-H585 AromaticContact CE1-NE2 2.61Å; H581-H585 PolarHBondContact CE1-NE2 3Å; H581-H585 AromaticContact CG-NE2 3.92Å; H581-H585 AromaticContact ND1-NE2 3.6Å; H581-H585 AromaticContact NE2-CE1 3.85Å; H581-H585 AromaticContact NE2-NE2 2.27Å; H581-H585 PolarHBondContact NE2-NE2 3Å
582	Q	80.7	Confident	82.7	Confident	71 Å²	71	65.4 Å²	65.4	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-58.5	-32.6	177	-70.4	172.1	-84.2	0	0	112	L578 T579 T584 H585 T586	L578-Q582 HydrophobicContact CD1-CG 4.11Å; L578-Q582 WeakPolarHBondContact O-CG 3.39Å; L578-Q582 PolarHBondContact O-N 3.19Å; T579-Q582 PolarHBondContact O-N 3.09Å; Q582-T584 PolarHBondContact O-N 2.83Å; Q582-T584 VanDerWaalsContact O-N 3.1Å; Q582-H585 PolarHBondContact O-N 2.78Å; Q582-T586 PolarHBondContact O-N 3.34Å; Q582-T586 PolarHBondContact O-OG1 3.1Å
583	R	84.9	Confident	82.9	Confident	58 Å²	58	63.9 Å²	63.9	22%	0.219	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.3	170.3	-59.4	-170.9	174.2	158.8	2.6	115.3	H581 H585 G587 E588 S601	H581-R583 PolarHBondContact O-N 3.18Å; R583-H585 VanDerWaalsContact C-N 3.33Å; R583-G587 PolarHBondContact O-N 3.41Å; R583-E588 HydrophobicContact CB-CB 4.05Å; R583-E588 HydrophobicContact CG-CB 3.86Å; R583-E588 IonicContact NE-OE2 2.93Å; R583-S601 PolarHBondContact NH1-O 2.59Å
584	T	84.1	Confident	83.1	Confident	92 Å²	92	69.9 Å²	69.9	56%	0.564	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.2	172.7	71.6	0	0	0	0	113	H581 Q582	H581-T584 PolarHBondContact CE1-OG1 3.11Å; H581-T584 PolarHBondContact ND1-OG1 3.47Å; H581-T584 WeakPolarHBondContact O-CB 3.28Å; H581-T584 PolarHBondContact O-N 3.44Å; H581-T584 PolarHBondContact O-OG1 3Å; Q582-T584 PolarHBondContact O-N 2.83Å; Q582-T584 VanDerWaalsContact O-N 3.1Å
585	H	84.6	Confident	83.2	Confident	86 Å²	86	71.4 Å²	71.4	40%	0.398	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-46.7	173.5	-53.1	-50.9	0	0	0	110.9	C565 E567 C568 H581 Q582 R583 G587	C565-H585 PolarHBondContact SG-NE2 2.63Å; E567-H585 VanDerWaalsContact OE2-CB 3.22Å; E567-H585 WeakPolarHBondContact OE2-CB 3.35Å; E567-H585 IonicContact OE2-CD2 3.15Å; E567-H585 PolarHBondContact OE2-CD2 3.27Å; E567-H585 IonicContact OE2-CG 2.68Å; C568-H585 WeakPolarHBondContact CB-CE1 3.29Å; C568-H585 PolarHBondContact SG-CE1 3.07Å; C568-H585 PolarHBondContact SG-NE2 3.21Å; H581-H585 AromaticContact CD2-NE2 3.21Å; H581-H585 PolarHBondContact CD2-NE2 2.96Å; H581-H585 AromaticContact CE1-CE1 3.38Å; H581-H585 PolarHBondContact CE1-CE1 3.24Å; H581-H585 AromaticContact CE1-NE2 2.61Å; H581-H585 PolarHBondContact CE1-NE2 3Å; H581-H585 AromaticContact CG-NE2 3.92Å; H581-H585 AromaticContact ND1-NE2 3.6Å; H581-H585 AromaticContact NE2-CE1 3.85Å; H581-H585 AromaticContact NE2-NE2 2.27Å; H581-H585 PolarHBondContact NE2-NE2 3Å; Q582-H585 PolarHBondContact O-N 2.78Å; R583-H585 VanDerWaalsContact C-N 3.33Å; H585-G587 PolarHBondContact O-N 3.42Å
586	T	85	Confident	83.6	Confident	80 Å²	80	70.2 Å²	70.2	49%	0.491	37%	0.373	S	S	.	.	S	Bend	trans	-71.6	-8.5	176.8	62.1	0	0	0	0	113.8	Q582 E588	Q582-T586 PolarHBondContact O-N 3.34Å; Q582-T586 PolarHBondContact O-OG1 3.1Å; T586-E588 WeakPolarHBondContact CB-OE1 3.43Å; T586-E588 PolarHBondContact O-N 3.48Å; T586-E588 VanDerWaalsContact O-N 3.07Å; T586-E588 WeakPolarHBondContact OG1-CG 3.21Å; T586-E588 PolarHBondContact OG1-OE1 3.45Å
587	G	83.8	Confident	83.8	Confident	45 Å²	45	69.1 Å²	69.1	46%	0.464	37%	0.374	S	S	.	.			trans	70.1	-2.9	-176.8	0	0	0	0	0	114.9	R583 H585 K589	R583-G587 PolarHBondContact O-N 3.41Å; H585-G587 PolarHBondContact O-N 3.42Å; G587-K589 WeakPolarHBondContact O-CG 3.47Å; G587-K589 PolarHBondContact O-N 2.98Å
588	E	82.4	Confident	84	Confident	88 Å²	88	70.9 Å²	70.9	41%	0.411	39%	0.386	S	S	.	.			trans	-47.1	120.6	-175.6	-88.5	169.7	-113.4	0	0	113.5	R583 T586 S601	R583-E588 HydrophobicContact CB-CB 4.05Å; R583-E588 HydrophobicContact CG-CB 3.86Å; R583-E588 IonicContact NE-OE2 2.93Å; T586-E588 WeakPolarHBondContact CB-OE1 3.43Å; T586-E588 PolarHBondContact O-N 3.48Å; T586-E588 VanDerWaalsContact O-N 3.07Å; T586-E588 WeakPolarHBondContact OG1-CG 3.21Å; T586-E588 PolarHBondContact OG1-OE1 3.45Å; E588-S601 VanDerWaalsContact O-CB 3.26Å; E588-S601 WeakPolarHBondContact O-CB 3.35Å
589	K	85.6	Confident	84.1	Confident	125 Å²	125	72.4 Å²	72.4	54%	0.543	40%	0.398	S	S	.	.			trans	-126.9	72.3	175.3	-72.3	155.7	177.1	177.5	0	110.9	G587 Y591 S599 F600	G587-K589 WeakPolarHBondContact O-CG 3.47Å; G587-K589 PolarHBondContact O-N 2.98Å; K589-Y591 PolarHBondContact O-N 3Å; K589-S599 VanDerWaalsContact CB-CB 3.49Å; K589-S599 WeakPolarHBondContact CD-O 3.25Å; K589-F600 CarbonylContact C-O 3.57Å; K589-F600 WeakPolarHBondContact CA-O 3.24Å
590	P	81.4	Confident	84.1	Confident	70 Å²	70	71.7 Å²	71.7	46%	0.455	39%	0.389	S	S	.	.			trans	-67.5	-6	-171	-20.8	34.8	0	0	0	115.3
591	Y	85	Confident	83.8	Confident	73 Å²	73	69 Å²	69	29%	0.286	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	97.9	-175.2	-51.2	-77.5	0	0	0	110.1	K589 S599 F600 F603 I606	K589-Y591 PolarHBondContact O-N 3Å; Y591-S599 WeakPolarHBondContact O-CA 3.1Å; Y591-F600 WeakPolarHBondContact CD2-O 3.25Å; Y591-F600 PolarHBondContact N-O 3.22Å; Y591-F600 VanDerWaalsContact N-O 3.14Å; Y591-F600 PolarHBondContact O-N 3.12Å; Y591-F603 HydrophobicContact CD1-CB 4.24Å; Y591-F603 AromaticContact CD1-CD2 3.97Å; Y591-F603 HydrophobicContact CD1-CD2 3.97Å; Y591-F603 HydrophobicContact CE1-CB 3.87Å; Y591-F603 AromaticContact CE1-CD2 3.99Å; Y591-F603 HydrophobicContact CE1-CD2 3.99Å; Y591-F603 HydrophobicContact CE1-CG 4.4Å; Y591-F603 HydrophobicContact CE2-CB 4.37Å; Y591-F603 VanDerWaalsContact CE2-N 3.32Å; Y591-I606 HydrophobicContact CG-CG2 4.24Å
592	V	86.5	Confident	83.5	Confident	81 Å²	81	69.9 Å²	69.9	49%	0.491	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.9	-178.3	-169.9	0	0	0	0	110.6	K594 I606	V592-K594 PolarHBondContact O-N 3.14Å; V592-I606 VanDerWaalsContact O-CD1 3.29Å; V592-I606 WeakPolarHBondContact O-CD1 3.13Å
593	C	87.6	Confident	83.3	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.007	40%	0.398	C	S	.	.			trans	-73.9	121.1	172.9	173.9	0	0	0	0	110.2	D595 G597 S598 F600 I606 H609 H613	C593-D595 VanDerWaalsContact C-N 3.25Å; C593-D595 PolarHBondContact O-N 3.4Å; C593-D595 PolarHBondContact SG-OD2 3.02Å; C593-G597 VanDerWaalsContact O-CA 3.28Å; C593-G597 WeakPolarHBondContact O-CA 3.49Å; C593-G597 PolarHBondContact O-N 3.36Å; C593-S598 WeakPolarHBondContact CB-O 3.36Å; C593-S598 PolarHBondContact N-O 2.83Å; C593-F600 HydrophobicContact CB-CE2 4.26Å; C593-I606 HydrophobicContact CB-CD1 4.25Å; C593-I606 HydrophobicContact CB-CG1 4.42Å; C593-H609 VanDerWaalsContact SG-CD2 3.5Å; C593-H609 PolarHBondContact SG-NE2 3.31Å; C593-H609 VanDerWaalsContact SG-NE2 3.39Å; C593-H613 PolarHBondContact SG-NE2 3.14Å; C593-H613 VanDerWaalsContact SG-NE2 3.42Å
594	K	85.8	Confident	82.7	Confident	162 Å²	162	73 Å²	73	70%	0.704	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.1	178.9	-65.1	-176	175.5	-176.2	0	112.2	V592 C596	V592-K594 PolarHBondContact O-N 3.14Å; K594-C596 PolarHBondContact O-N 2.9Å
595	D	83.7	Confident	82.2	Confident	99 Å²	99	71 Å²	71	53%	0.529	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.9	-167.5	-33.8	-57.5	0	0	0	113.4	C593 H613	C593-D595 VanDerWaalsContact C-N 3.25Å; C593-D595 PolarHBondContact O-N 3.4Å; C593-D595 PolarHBondContact SG-OD2 3.02Å; D595-H613 IonicContact OD2-CD2 2.67Å; D595-H613 PolarHBondContact OD2-CD2 2.85Å
596	C	89.1	Confident	81.9	Confident	59 Å²	59	67.4 Å²	67.4	40%	0.399	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.3	24.8	-179.2	75.3	0	0	0	0	114.5	K594 S598 H609 H613	K594-C596 PolarHBondContact O-N 2.9Å; C596-S598 PolarHBondContact O-N 3.26Å; C596-S598 PolarHBondContact O-OG 2.99Å; C596-S598 PolarHBondContact SG-OG 3.25Å; C596-S598 VanDerWaalsContact SG-OG 3.38Å; C596-H609 PolarHBondContact SG-NE2 2.84Å; C596-H613 VanDerWaalsContact SG-CE1 3.52Å; C596-H613 PolarHBondContact SG-NE2 3.44Å
597	G	85	Confident	81.6	Confident	51 Å²	51	65.4 Å²	65.4	53%	0.526	37%	0.373	S	S	.	.			trans	60.9	4.1	176.5	0	0	0	0	0	116.4	C593 S599	C593-G597 VanDerWaalsContact O-CA 3.28Å; C593-G597 WeakPolarHBondContact O-CA 3.49Å; C593-G597 PolarHBondContact O-N 3.36Å; G597-S599 PolarHBondContact O-N 3.02Å
598	S	84.3	Confident	81.2	Confident	49 Å²	49	65.9 Å²	65.9	34%	0.343	36%	0.361	S	S	.	.			trans	-79.9	121	-168.4	-70.6	0	0	0	0	111.8	C593 C596 F600	C593-S598 WeakPolarHBondContact CB-O 3.36Å; C593-S598 PolarHBondContact N-O 2.83Å; C596-S598 PolarHBondContact O-N 3.26Å; C596-S598 PolarHBondContact O-OG 2.99Å; C596-S598 PolarHBondContact SG-OG 3.25Å; C596-S598 VanDerWaalsContact SG-OG 3.38Å; S598-F600 VanDerWaalsContact O-CD2 3.26Å; S598-F600 WeakPolarHBondContact O-CD2 3.5Å; S598-F600 WeakPolarHBondContact O-CE2 3.43Å
599	S	85	Confident	81	Confident	49 Å²	49	63 Å²	63	34%	0.343	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.5	-174	-42.8	0	0	0	0	113	K589 Y591 G597	K589-S599 VanDerWaalsContact CB-CB 3.49Å; K589-S599 WeakPolarHBondContact CD-O 3.25Å; Y591-S599 WeakPolarHBondContact O-CA 3.1Å; G597-S599 PolarHBondContact O-N 3.02Å
600	F	80	Confident	80.7	Confident	47 Å²	47	59.9 Å²	59.9	21%	0.206	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.8	-176.8	-59.9	-88	0	0	0	112.1	K589 Y591 C593 S598 L602 I606 H609	K589-F600 CarbonylContact C-O 3.57Å; K589-F600 WeakPolarHBondContact CA-O 3.24Å; Y591-F600 WeakPolarHBondContact CD2-O 3.25Å; Y591-F600 PolarHBondContact N-O 3.22Å; Y591-F600 VanDerWaalsContact N-O 3.14Å; Y591-F600 PolarHBondContact O-N 3.12Å; C593-F600 HydrophobicContact CB-CE2 4.26Å; S598-F600 VanDerWaalsContact O-CD2 3.26Å; S598-F600 WeakPolarHBondContact O-CD2 3.5Å; S598-F600 WeakPolarHBondContact O-CE2 3.43Å; F600-L602 VanDerWaalsContact C-N 3.34Å; F600-I606 HydrophobicContact CB-CB 4.39Å; F600-I606 HydrophobicContact CD2-CB 3.84Å; F600-I606 HydrophobicContact CD2-CG1 4.22Å; F600-I606 HydrophobicContact CG-CB 4.3Å; F600-H609 HydrophobicContact CE1-CB 4.31Å; F600-H609 HydrophobicContact CE2-CB 4.03Å; F600-H609 AromaticContact CE2-CD2 3.37Å; F600-H609 WeakPolarHBondContact CE2-CD2 3.3Å; F600-H609 AromaticContact CE2-CG 3.69Å; F600-H609 AromaticContact CE2-NE2 3.83Å; F600-H609 HydrophobicContact CZ-CB 3.69Å; F600-H609 AromaticContact CZ-CD2 3.53Å; F600-H609 AromaticContact CZ-CE1 3.99Å; F600-H609 AromaticContact CZ-CG 3.39Å; F600-H609 AromaticContact CZ-ND1 3.71Å; F600-H609 AromaticContact CZ-NE2 3.88Å
601	S	73.7	Confident	80.7	Confident	39 Å²	39	60.2 Å²	60.2	27%	0.273	33%	0.327	S	S	.	.	S	Bend	trans	-82.7	-8.3	177	58.4	0	0	0	0	114.1	R583 E588	R583-S601 PolarHBondContact NH1-O 2.59Å; E588-S601 VanDerWaalsContact O-CB 3.26Å; E588-S601 WeakPolarHBondContact O-CB 3.35Å
602	L	75.8	Confident	80.5	Confident	43 Å²	43	60.6 Å²	60.6	23%	0.225	33%	0.334	C	S	.	.			trans	-135.6	139.1	-178.9	-58.4	173.7	0	0	0	113.4	R580 F600 S604 T605 I606	R580-L602 VanDerWaalsContact CD-CD2 3.43Å; R580-L602 HydrophobicContact CG-CD2 3.88Å; F600-L602 VanDerWaalsContact C-N 3.34Å; L602-S604 PolarHBondContact O-N 3.3Å; L602-T605 HydrophobicContact CB-CG2 4.43Å; L602-T605 WeakPolarHBondContact CB-OG1 3.27Å; L602-T605 PolarHBondContact O-N 3.25Å; L602-T605 VanDerWaalsContact O-N 3.17Å; L602-T605 PolarHBondContact O-OG1 2.67Å; L602-I606 PolarHBondContact O-N 3.05Å
603	F	75.4	Confident	80.1	Confident	108 Å²	108	60.9 Å²	60.9	47%	0.474	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-42.3	175.1	-173.6	-107.7	0	0	0	112.7	F209 Y591 T605 I606 I607	F209-F603 HydrophobicContact CZ-CZ 4.19Å; Y591-F603 HydrophobicContact CD1-CB 4.24Å; Y591-F603 AromaticContact CD1-CD2 3.97Å; Y591-F603 HydrophobicContact CD1-CD2 3.97Å; Y591-F603 HydrophobicContact CE1-CB 3.87Å; Y591-F603 AromaticContact CE1-CD2 3.99Å; Y591-F603 HydrophobicContact CE1-CD2 3.99Å; Y591-F603 HydrophobicContact CE1-CG 4.4Å; Y591-F603 HydrophobicContact CE2-CB 4.37Å; Y591-F603 VanDerWaalsContact CE2-N 3.32Å; F603-T605 PolarHBondContact O-N 2.83Å; F603-I606 HydrophobicContact CD2-CG2 4.25Å; F603-I606 WeakPolarHBondContact O-CG2 3.5Å; F603-I606 PolarHBondContact O-N 2.63Å; F603-I607 HydrophobicContact CD1-CG1 4.1Å; F603-I607 HydrophobicContact CD2-CG1 4.49Å; F603-I607 HydrophobicContact CE1-CD1 4.19Å; F603-I607 HydrophobicContact CE1-CG1 3.7Å; F603-I607 HydrophobicContact CE2-CD1 4.04Å; F603-I607 HydrophobicContact CE2-CG1 4.12Å; F603-I607 HydrophobicContact CG-CG1 4.49Å; F603-I607 HydrophobicContact CZ-CD1 3.7Å; F603-I607 HydrophobicContact CZ-CG1 3.72Å; F603-I607 WeakPolarHBondContact O-CG1 3.12Å; F603-I607 PolarHBondContact O-N 3.01Å; F603-I607 VanDerWaalsContact O-N 3.11Å
604	S	73.6	Confident	79.8	Confident	85 Å²	85	64.3 Å²	64.3	59%	0.594	36%	0.358	S	S	*	.	H	α-helix	trans	-64.2	-25.2	178.7	55.4	0	0	0	0	113.6	L602 Y608	L602-S604 PolarHBondContact O-N 3.3Å; S604-Y608 VanDerWaalsContact O-CB 3.3Å; S604-Y608 WeakPolarHBondContact O-CB 3.47Å; S604-Y608 PolarHBondContact O-N 3.23Å
605	T	73.1	Confident	79.6	Confident	50 Å²	50	58.3 Å²	58.3	31%	0.307	34%	0.342	S	S	.	.	H	α-helix	trans	-82.5	-33.3	176.8	47.7	0	0	0	0	113.3	L602 F603 H609	L602-T605 HydrophobicContact CB-CG2 4.43Å; L602-T605 WeakPolarHBondContact CB-OG1 3.27Å; L602-T605 PolarHBondContact O-N 3.25Å; L602-T605 VanDerWaalsContact O-N 3.17Å; L602-T605 PolarHBondContact O-OG1 2.67Å; F603-T605 PolarHBondContact O-N 2.83Å; T605-H609 VanDerWaalsContact O-CB 3.29Å; T605-H609 WeakPolarHBondContact O-CB 3.25Å; T605-H609 PolarHBondContact O-N 2.81Å
606	I	78.7	Confident	79.4	Confident	12 Å²	12	58 Å²	58	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-69.8	-45.6	173.1	-178.8	167.2	0	0	0	111.3	Y591 V592 C593 F600 L602 F603 Y608 H609 Q610	Y591-I606 HydrophobicContact CG-CG2 4.24Å; V592-I606 VanDerWaalsContact O-CD1 3.29Å; V592-I606 WeakPolarHBondContact O-CD1 3.13Å; C593-I606 HydrophobicContact CB-CD1 4.25Å; C593-I606 HydrophobicContact CB-CG1 4.42Å; F600-I606 HydrophobicContact CB-CB 4.39Å; F600-I606 HydrophobicContact CD2-CB 3.84Å; F600-I606 HydrophobicContact CD2-CG1 4.22Å; F600-I606 HydrophobicContact CG-CB 4.3Å; L602-I606 PolarHBondContact O-N 3.05Å; F603-I606 HydrophobicContact CD2-CG2 4.25Å; F603-I606 WeakPolarHBondContact O-CG2 3.5Å; F603-I606 PolarHBondContact O-N 2.63Å; I606-Y608 VanDerWaalsContact C-N 3.29Å; I606-Y608 PolarHBondContact O-N 3.22Å; I606-H609 CarbonylContact O-C 3.53Å; I606-H609 WeakPolarHBondContact O-CA 3.4Å; I606-H609 WeakPolarHBondContact O-CB 3.29Å; I606-H609 PolarHBondContact O-N 3.35Å; I606-Q610 HydrophobicContact CG1-CG 4.14Å; I606-Q610 WeakPolarHBondContact O-CG 3.48Å; I606-Q610 PolarHBondContact O-N 3.46Å
607	I	78.4	Confident	79.1	Confident	37 Å²	37	60.9 Å²	60.9	19%	0.19	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-42.9	177.2	-64.2	-59.6	0	0	0	110.6	F209 F603 H609 R611	F209-I607 HydrophobicContact CE2-CD1 4.14Å; F209-I607 HydrophobicContact CZ-CD1 4.05Å; F603-I607 HydrophobicContact CD1-CG1 4.1Å; F603-I607 HydrophobicContact CD2-CG1 4.49Å; F603-I607 HydrophobicContact CE1-CD1 4.19Å; F603-I607 HydrophobicContact CE1-CG1 3.7Å; F603-I607 HydrophobicContact CE2-CD1 4.04Å; F603-I607 HydrophobicContact CE2-CG1 4.12Å; F603-I607 HydrophobicContact CG-CG1 4.49Å; F603-I607 HydrophobicContact CZ-CD1 3.7Å; F603-I607 HydrophobicContact CZ-CG1 3.72Å; F603-I607 WeakPolarHBondContact O-CG1 3.12Å; F603-I607 PolarHBondContact O-N 3.01Å; F603-I607 VanDerWaalsContact O-N 3.11Å; I607-H609 VanDerWaalsContact C-N 3.3Å; I607-H609 PolarHBondContact O-N 2.89Å; I607-R611 WeakPolarHBondContact O-CG 3.24Å; I607-R611 PolarHBondContact O-N 3.05Å
608	Y	74.9	Confident	79	Confident	55 Å²	55	62 Å²	62	22%	0.216	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-36.8	173.3	161.1	-98.1	0	0	0	113	S604 I606 L612 P629 T630 R633	S604-Y608 VanDerWaalsContact O-CB 3.3Å; S604-Y608 WeakPolarHBondContact O-CB 3.47Å; S604-Y608 PolarHBondContact O-N 3.23Å; I606-Y608 VanDerWaalsContact C-N 3.29Å; I606-Y608 PolarHBondContact O-N 3.22Å; Y608-L612 HydrophobicContact CE1-CD1 4.04Å; Y608-L612 HydrophobicContact CE2-CD2 4.19Å; Y608-P629 HydrophobicContact CE2-CB 4.2Å; Y608-P629 HydrophobicContact CE2-CG 3.9Å; Y608-T630 HydrophobicContact CD2-CG2 3.41Å; Y608-T630 VanDerWaalsContact CD2-CG2 3.41Å; Y608-T630 HydrophobicContact CE2-CG2 3.89Å; Y608-T630 HydrophobicContact CG-CG2 4.42Å; Y608-R633 PolarHBondContact OH-NH1 2.73Å; Y608-R633 PolarHBondContact OH-NH2 3.35Å
609	H	78.8	Confident	79	Confident	28 Å²	28	62.5 Å²	62.5	13%	0.13	34%	0.336	C	S	.	.	H	α-helix	trans	-75	-41.5	-179.6	167.1	78.7	0	0	0	112.5	C593 C596 F600 T605 I606 I607 R611 L612 H613	C593-H609 VanDerWaalsContact SG-CD2 3.5Å; C593-H609 PolarHBondContact SG-NE2 3.31Å; C593-H609 VanDerWaalsContact SG-NE2 3.39Å; C596-H609 PolarHBondContact SG-NE2 2.84Å; F600-H609 HydrophobicContact CE1-CB 4.31Å; F600-H609 HydrophobicContact CE2-CB 4.03Å; F600-H609 AromaticContact CE2-CD2 3.37Å; F600-H609 WeakPolarHBondContact CE2-CD2 3.3Å; F600-H609 AromaticContact CE2-CG 3.69Å; F600-H609 AromaticContact CE2-NE2 3.83Å; F600-H609 HydrophobicContact CZ-CB 3.69Å; F600-H609 AromaticContact CZ-CD2 3.53Å; F600-H609 AromaticContact CZ-CE1 3.99Å; F600-H609 AromaticContact CZ-CG 3.39Å; F600-H609 AromaticContact CZ-ND1 3.71Å; F600-H609 AromaticContact CZ-NE2 3.88Å; T605-H609 VanDerWaalsContact O-CB 3.29Å; T605-H609 WeakPolarHBondContact O-CB 3.25Å; T605-H609 PolarHBondContact O-N 2.81Å; I606-H609 CarbonylContact O-C 3.53Å; I606-H609 WeakPolarHBondContact O-CA 3.4Å; I606-H609 WeakPolarHBondContact O-CB 3.29Å; I606-H609 PolarHBondContact O-N 3.35Å; I607-H609 VanDerWaalsContact C-N 3.3Å; I607-H609 PolarHBondContact O-N 2.89Å; H609-R611 VanDerWaalsContact C-N 3.26Å; H609-R611 PolarHBondContact O-N 3.35Å; H609-L612 WeakPolarHBondContact O-CA 3.29Å; H609-L612 WeakPolarHBondContact O-CB 3.19Å; H609-L612 PolarHBondContact O-N 3.09Å; H609-H613 AromaticContact CD2-NE2 3.76Å; H609-H613 AromaticContact CE1-CE1 3.8Å; H609-H613 AromaticContact CE1-NE2 3.44Å; H609-H613 PolarHBondContact CE1-NE2 3.49Å; H609-H613 AromaticContact NE2-CE1 3.88Å; H609-H613 AromaticContact NE2-NE2 3.1Å; H609-H613 PolarHBondContact NE2-NE2 3.45Å; H609-H613 VanDerWaalsContact NE2-NE2 3.1Å
610	Q	79.6	Confident	79	Confident	59 Å²	59	68 Å²	68	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-59.8	-36.4	174.8	-69.7	174.8	-76.9	0	0	111.9	I606 L612 H613 A614	I606-Q610 HydrophobicContact CG1-CG 4.14Å; I606-Q610 WeakPolarHBondContact O-CG 3.48Å; I606-Q610 PolarHBondContact O-N 3.46Å; Q610-L612 PolarHBondContact O-N 3.48Å; Q610-L612 VanDerWaalsContact O-N 3.12Å; Q610-H613 WeakPolarHBondContact O-CB 3.46Å; Q610-H613 PolarHBondContact O-N 2.92Å; Q610-A614 PolarHBondContact O-N 3.32Å
611	R	81.6	Confident	79.6	Confident	77 Å²	77	66.5 Å²	66.5	29%	0.291	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-19	170.3	-72.7	-170.3	173.1	136.9	9.9	114.8	I607 H609 G615 E616	I607-R611 WeakPolarHBondContact O-CG 3.24Å; I607-R611 PolarHBondContact O-N 3.05Å; H609-R611 VanDerWaalsContact C-N 3.26Å; H609-R611 PolarHBondContact O-N 3.35Å; R611-G615 CarbonylContact O-C 3.55Å; R611-G615 PolarHBondContact O-N 3.31Å; R611-E616 HydrophobicContact CB-CB 4Å; R611-E616 WeakPolarHBondContact CD-OE2 3.4Å; R611-E616 HydrophobicContact CG-CB 3.98Å; R611-E616 VanDerWaalsContact CG-OE2 3.32Å; R611-E616 WeakPolarHBondContact CG-OE2 3.49Å; R611-E616 IonicContact NE-OE2 3.17Å; R611-E616 PolarHBondContact NE-OE2 3.14Å; R611-E616 PolarHBondContact O-N 3.46Å
612	L	79.3	Confident	80.3	Confident	81 Å²	81	70.2 Å²	70.2	42%	0.424	37%	0.37	S	S	.	.	H	α-helix	trans	-79.2	-36.3	173.5	-52.7	177.7	0	0	0	111.5	Y608 H609 Q610 G615 P629	Y608-L612 HydrophobicContact CE1-CD1 4.04Å; Y608-L612 HydrophobicContact CE2-CD2 4.19Å; H609-L612 WeakPolarHBondContact O-CA 3.29Å; H609-L612 WeakPolarHBondContact O-CB 3.19Å; H609-L612 PolarHBondContact O-N 3.09Å; Q610-L612 PolarHBondContact O-N 3.48Å; Q610-L612 VanDerWaalsContact O-N 3.12Å; L612-G615 PolarHBondContact O-N 3.46Å; L612-P629 HydrophobicContact CD2-CB 4.37Å; L612-P629 HydrophobicContact CD2-CG 4.08Å
613	H	78.9	Confident	80.8	Confident	88 Å²	88	72 Å²	72	41%	0.407	38%	0.38	S	S	.	.	H	α-helix	trans	-68.9	-49.5	174.8	-59.8	-45.9	0	0	0	111.1	C593 D595 C596 H609 Q610 G615	C593-H613 PolarHBondContact SG-NE2 3.14Å; C593-H613 VanDerWaalsContact SG-NE2 3.42Å; D595-H613 IonicContact OD2-CD2 2.67Å; D595-H613 PolarHBondContact OD2-CD2 2.85Å; C596-H613 VanDerWaalsContact SG-CE1 3.52Å; C596-H613 PolarHBondContact SG-NE2 3.44Å; H609-H613 AromaticContact CD2-NE2 3.76Å; H609-H613 AromaticContact CE1-CE1 3.8Å; H609-H613 AromaticContact CE1-NE2 3.44Å; H609-H613 PolarHBondContact CE1-NE2 3.49Å; H609-H613 AromaticContact NE2-CE1 3.88Å; H609-H613 AromaticContact NE2-NE2 3.1Å; H609-H613 PolarHBondContact NE2-NE2 3.45Å; H609-H613 VanDerWaalsContact NE2-NE2 3.1Å; Q610-H613 WeakPolarHBondContact O-CB 3.46Å; Q610-H613 PolarHBondContact O-N 2.92Å; H613-G615 PolarHBondContact O-N 2.97Å; H613-G615 VanDerWaalsContact O-N 3.13Å
614	A	81.2	Confident	81.6	Confident	73 Å²	73	68.3 Å²	68.3	60%	0.603	37%	0.367	S	S	*	.	S	Bend	trans	-68.6	-6.2	174.5	0	0	0	0	0	113.9	Q610 E616	Q610-A614 PolarHBondContact O-N 3.32Å; A614-E616 HydrophobicContact CB-CG 4.14Å; A614-E616 PolarHBondContact O-N 2.9Å; A614-E616 VanDerWaalsContact O-N 3.07Å
615	G	81.2	Confident	82.3	Confident	36 Å²	36	72.5 Å²	72.5	37%	0.371	38%	0.383	S	S	.	.			trans	67.5	2.8	-177.6	0	0	0	0	0	115.5	R611 L612 H613 K617	R611-G615 CarbonylContact O-C 3.55Å; R611-G615 PolarHBondContact O-N 3.31Å; L612-G615 PolarHBondContact O-N 3.46Å; H613-G615 PolarHBondContact O-N 2.97Å; H613-G615 VanDerWaalsContact O-N 3.13Å; G615-K617 WeakPolarHBondContact O-CE 3.26Å; G615-K617 WeakPolarHBondContact O-CG 3.42Å; G615-K617 PolarHBondContact O-N 3.36Å
616	E	80.3	Confident	83.1	Confident	92 Å²	92	76.2 Å²	76.2	43%	0.43	40%	0.395	S	S	.	.			trans	-52.4	125.5	-175.4	-82.7	-168.9	-166.6	0	0	113.3	R611 A614	R611-E616 HydrophobicContact CB-CB 4Å; R611-E616 WeakPolarHBondContact CD-OE2 3.4Å; R611-E616 HydrophobicContact CG-CB 3.98Å; R611-E616 VanDerWaalsContact CG-OE2 3.32Å; R611-E616 WeakPolarHBondContact CG-OE2 3.49Å; R611-E616 IonicContact NE-OE2 3.17Å; R611-E616 PolarHBondContact NE-OE2 3.14Å; R611-E616 PolarHBondContact O-N 3.46Å; A614-E616 HydrophobicContact CB-CG 4.14Å; A614-E616 PolarHBondContact O-N 2.9Å; A614-E616 VanDerWaalsContact O-N 3.07Å
617	K	83.1	Confident	83.4	Confident	120 Å²	120	77.2 Å²	77.2	52%	0.522	41%	0.405	S	S	.	.			trans	-133.9	72.1	176.5	-68.9	152.4	-167.9	157.9	0	111	G615 Y619 A627 F628	G615-K617 WeakPolarHBondContact O-CE 3.26Å; G615-K617 WeakPolarHBondContact O-CG 3.42Å; G615-K617 PolarHBondContact O-N 3.36Å; K617-Y619 PolarHBondContact O-N 3.46Å; K617-A627 HydrophobicContact CB-CB 3.53Å; K617-A627 HydrophobicContact CD-CB 4.4Å; K617-A627 HydrophobicContact CG-CB 4.42Å; K617-F628 CarbonylContact C-O 3.56Å; K617-F628 VanDerWaalsContact CA-O 3.32Å; K617-F628 WeakPolarHBondContact CA-O 2.96Å
618	P	82.3	Confident	83.5	Confident	75 Å²	75	77.4 Å²	77.4	49%	0.487	40%	0.404	S	S	.	.			trans	-62.2	-28.3	-177.6	-22.4	34.5	0	0	0	113.3	K620	P618-K620 PolarHBondContact O-N 2.9Å
619	Y	83.2	Confident	83.5	Confident	59 Å²	59	75.2 Å²	75.2	23%	0.231	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	79.4	-172.9	-55.2	-88.5	0	0	0	110.5	K617 F628 H631	K617-Y619 PolarHBondContact O-N 3.46Å; Y619-F628 WeakPolarHBondContact CB-O 3.36Å; Y619-F628 WeakPolarHBondContact CD2-O 3.15Å; Y619-F628 PolarHBondContact N-O 3.42Å; Y619-F628 PolarHBondContact O-N 3.21Å; Y619-H631 HydrophobicContact CD1-CB 3.86Å; Y619-H631 HydrophobicContact CE1-CB 3.72Å
620	K	86.6	Confident	83.3	Confident	164 Å²	164	75.4 Å²	75.4	71%	0.713	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	142.9	171.9	-59.8	-174.9	-176.1	178.4	0	111	P618 A627 L634	P618-K620 PolarHBondContact O-N 2.9Å; K620-A627 HydrophobicContact CG-CB 4.05Å; K620-L634 WeakPolarHBondContact O-CD2 3.42Å
621	C	91.3	Very high	83.3	Confident	15 Å²	15	76.7 Å²	76.7	10%	0.101	41%	0.406	C	S	.	.			trans	-80.6	147.6	168.5	-171	0	0	0	0	110.3	C624 K626 L634 H637 L638 H641	C621-C624 WeakPolarHBondContact CB-O 3.42Å; C621-K626 WeakPolarHBondContact CB-O 3.24Å; C621-K626 PolarHBondContact N-O 2.99Å; C621-L634 HydrophobicContact CB-CD1 3.7Å; C621-H637 PolarHBondContact SG-CD2 3.45Å; C621-H637 PolarHBondContact SG-NE2 3.17Å; C621-H637 VanDerWaalsContact SG-NE2 3.41Å; C621-L638 VanDerWaalsContact SG-CD2 3.59Å; C621-H641 PolarHBondContact SG-NE2 3.19Å
622	T	89.2	Confident	83.1	Confident	117 Å²	117	75.9 Å²	75.9	72%	0.718	41%	0.412	S	S	*	.	S	Bend	trans	-79.1	-33.1	173.9	40.2	0	0	0	0	112.1
623	D	86.4	Confident	83.1	Confident	80 Å²	80	76.7 Å²	76.7	43%	0.428	41%	0.409	S	S	.	.	S	Bend	trans	-98.8	-1.4	-166.7	-25.2	-35.9	0	0	0	112.8	L638 H641	D623-L638 WeakPolarHBondContact OD2-CD2 3.42Å; D623-H641 HydrophobicContact CB-CB 4.2Å; D623-H641 PolarHBondContact O-CE1 3.32Å; D623-H641 VanDerWaalsContact OD2-CB 3.26Å; D623-H641 WeakPolarHBondContact OD2-CB 3.47Å; D623-H641 IonicContact OD2-CD2 2.77Å; D623-H641 PolarHBondContact OD2-CD2 3.07Å; D623-H641 IonicContact OD2-CG 3.92Å
624	C	92.3	Very high	83.4	Confident	32 Å²	32	73.4 Å²	73.4	22%	0.216	40%	0.395	C	S	.	.	S	Bend	trans	-170.4	170.1	165.1	65.7	0	0	0	0	112.1	C621 K626 H637 H641	C621-C624 WeakPolarHBondContact CB-O 3.42Å; C624-K626 PolarHBondContact O-N 3Å; C624-H637 PolarHBondContact SG-NE2 3.22Å; C624-H641 WeakPolarHBondContact CB-CE1 3.5Å; C624-H641 PolarHBondContact SG-CE1 2.95Å; C624-H641 PolarHBondContact SG-NE2 3.42Å
625	D	88.4	Confident	83.5	Confident	172 Å²	172	71.5 Å²	71.5	92%	0.92	38%	0.379	S	S	*	.	S	Bend	trans	-65.6	10.1	-174.2	-41.6	-79.4	0	0	0	116.1	A627	D625-A627 PolarHBondContact O-N 3.32Å
626	K	88.4	Confident	83.6	Confident	129 Å²	129	74.7 Å²	74.7	56%	0.561	38%	0.38	S	S	*	.			trans	-85.7	112.2	-174.3	-69.9	176.7	-177.9	168.4	0	110.5	C621 C624 F628	C621-K626 WeakPolarHBondContact CB-O 3.24Å; C621-K626 PolarHBondContact N-O 2.99Å; C624-K626 PolarHBondContact O-N 3Å; K626-F628 HydrophobicContact CB-CE2 3.86Å; K626-F628 HydrophobicContact CB-CZ 3.94Å; K626-F628 WeakPolarHBondContact O-CD2 3.34Å; K626-F628 WeakPolarHBondContact O-CE2 3.48Å
627	A	86.4	Confident	83.9	Confident	32 Å²	32	71.5 Å²	71.5	26%	0.264	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	148.1	175.1	0	0	0	0	0	112.3	K617 K620 D625	K617-A627 HydrophobicContact CB-CB 3.53Å; K617-A627 HydrophobicContact CD-CB 4.4Å; K617-A627 HydrophobicContact CG-CB 4.42Å; K620-A627 HydrophobicContact CG-CB 4.05Å; D625-A627 PolarHBondContact O-N 3.32Å
628	F	81	Confident	84	Confident	41 Å²	41	68.1 Å²	68.1	18%	0.18	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.6	-173.1	-60.9	-87.8	0	0	0	112.6	K617 Y619 K626 T630 R633 L634 H637	K617-F628 CarbonylContact C-O 3.56Å; K617-F628 VanDerWaalsContact CA-O 3.32Å; K617-F628 WeakPolarHBondContact CA-O 2.96Å; Y619-F628 WeakPolarHBondContact CB-O 3.36Å; Y619-F628 WeakPolarHBondContact CD2-O 3.15Å; Y619-F628 PolarHBondContact N-O 3.42Å; Y619-F628 PolarHBondContact O-N 3.21Å; K626-F628 HydrophobicContact CB-CE2 3.86Å; K626-F628 HydrophobicContact CB-CZ 3.94Å; K626-F628 WeakPolarHBondContact O-CD2 3.34Å; K626-F628 WeakPolarHBondContact O-CE2 3.48Å; F628-T630 VanDerWaalsContact C-N 3.35Å; F628-R633 HydrophobicContact CB-CB 4.06Å; F628-R633 HydrophobicContact CD1-CB 4Å; F628-R633 HydrophobicContact CG-CB 4.28Å; F628-L634 HydrophobicContact CB-CB 4.42Å; F628-L634 HydrophobicContact CD2-CB 4.09Å; F628-L634 HydrophobicContact CD2-CD1 4.05Å; F628-L634 HydrophobicContact CE2-CD1 4.29Å; F628-L634 HydrophobicContact CG-CB 4.45Å; F628-H637 HydrophobicContact CE1-CB 4.11Å; F628-H637 HydrophobicContact CE2-CB 3.8Å; F628-H637 AromaticContact CE2-CD2 3.25Å; F628-H637 WeakPolarHBondContact CE2-CD2 3.27Å; F628-H637 AromaticContact CE2-CG 3.57Å; F628-H637 HydrophobicContact CZ-CB 3.51Å; F628-H637 AromaticContact CZ-CD2 3.48Å; F628-H637 VanDerWaalsContact CZ-CD2 3.48Å; F628-H637 WeakPolarHBondContact CZ-CD2 3.47Å; F628-H637 AromaticContact CZ-CG 3.33Å; F628-H637 AromaticContact CZ-ND1 3.95Å
629	P	73.1	Confident	84.3	Confident	10 Å²	10	67.5 Å²	67.5	7%	0.065	34%	0.34	C	S	.	.	S	Bend	trans	-78.4	-11.1	177.7	30.6	-36.7	0	0	0	114.5	Y608 L612	Y608-P629 HydrophobicContact CE2-CB 4.2Å; Y608-P629 HydrophobicContact CE2-CG 3.9Å; L612-P629 HydrophobicContact CD2-CB 4.37Å; L612-P629 HydrophobicContact CD2-CG 4.08Å
630	T	75.8	Confident	84.5	Confident	31 Å²	31	67.3 Å²	67.3	19%	0.19	35%	0.347	C	S	.	.	S	Bend	trans	-144.9	150.2	177.2	63.5	0	0	0	0	113.1	Y608 F628 R633 L634	Y608-T630 HydrophobicContact CD2-CG2 3.41Å; Y608-T630 VanDerWaalsContact CD2-CG2 3.41Å; Y608-T630 HydrophobicContact CE2-CG2 3.89Å; Y608-T630 HydrophobicContact CG-CG2 4.42Å; F628-T630 VanDerWaalsContact C-N 3.35Å; T630-R633 WeakPolarHBondContact O-CB 3.21Å; T630-R633 PolarHBondContact O-N 3.35Å; T630-R633 VanDerWaalsContact O-N 3.08Å; T630-R633 WeakPolarHBondContact OG1-CG 3.3Å; T630-R633 PolarHBondContact OG1-N 3.47Å; T630-L634 PolarHBondContact O-N 2.88Å
631	H	79.4	Confident	84.6	Confident	87 Å²	87	63.7 Å²	63.7	40%	0.403	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-49.4	176	-177.8	-104.9	0	0	0	112.6	E260 Y619 R633 L634 A635	E260-H631 IonicContact OE2-CE1 3.38Å; E260-H631 IonicContact OE2-CG 3.76Å; E260-H631 IonicContact OE2-ND1 2.65Å; E260-H631 PolarHBondContact OE2-ND1 3.45Å; Y619-H631 HydrophobicContact CD1-CB 3.86Å; Y619-H631 HydrophobicContact CE1-CB 3.72Å; H631-R633 PolarHBondContact O-N 2.89Å; H631-L634 CarbonylContact O-C 3.52Å; H631-L634 WeakPolarHBondContact O-CA 3.37Å; H631-L634 WeakPolarHBondContact O-CB 3.16Å; H631-L634 PolarHBondContact O-N 2.9Å; H631-A635 WeakPolarHBondContact O-CB 3.35Å; H631-A635 PolarHBondContact O-N 3.42Å
632	S	76.9	Confident	84.4	Confident	59 Å²	59	67.7 Å²	67.7	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-48.7	-33.3	171.6	-78.1	0	0	0	0	114.8	E260 R636	E260-S632 VanDerWaalsContact OE1-CB 3.26Å; E260-S632 WeakPolarHBondContact OE1-CB 3.45Å; E260-S632 PolarHBondContact OE1-N 3.04Å; E260-S632 PolarHBondContact OE1-OG 3.34Å; S632-R636 VanDerWaalsContact O-CB 3.3Å; S632-R636 WeakPolarHBondContact O-CB 3.25Å; S632-R636 PolarHBondContact O-N 2.76Å; S632-R636 VanDerWaalsContact O-N 3.17Å
633	R	79.8	Confident	84.2	Confident	98 Å²	98	63.7 Å²	63.7	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-76	-41.2	177	-77.1	176.7	170.1	-144.7	-5.6	111.8	Y608 F628 T630 H631 R636 H637	Y608-R633 PolarHBondContact OH-NH1 2.73Å; Y608-R633 PolarHBondContact OH-NH2 3.35Å; F628-R633 HydrophobicContact CB-CB 4.06Å; F628-R633 HydrophobicContact CD1-CB 4Å; F628-R633 HydrophobicContact CG-CB 4.28Å; T630-R633 WeakPolarHBondContact O-CB 3.21Å; T630-R633 PolarHBondContact O-N 3.35Å; T630-R633 VanDerWaalsContact O-N 3.08Å; T630-R633 WeakPolarHBondContact OG1-CG 3.3Å; T630-R633 PolarHBondContact OG1-N 3.47Å; H631-R633 PolarHBondContact O-N 2.89Å; R633-R636 PolarHBondContact O-N 2.81Å; R633-H637 WeakPolarHBondContact O-CB 3.41Å; R633-H637 PolarHBondContact O-N 2.98Å
634	L	85.2	Confident	84.3	Confident	19 Å²	19	61.8 Å²	61.8	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-51	171.6	173.3	58.9	0	0	0	111.5	K620 C621 F628 T630 H631 R636 H637 L638	K620-L634 WeakPolarHBondContact O-CD2 3.42Å; C621-L634 HydrophobicContact CB-CD1 3.7Å; F628-L634 HydrophobicContact CB-CB 4.42Å; F628-L634 HydrophobicContact CD2-CB 4.09Å; F628-L634 HydrophobicContact CD2-CD1 4.05Å; F628-L634 HydrophobicContact CE2-CD1 4.29Å; F628-L634 HydrophobicContact CG-CB 4.45Å; T630-L634 PolarHBondContact O-N 2.88Å; H631-L634 CarbonylContact O-C 3.52Å; H631-L634 WeakPolarHBondContact O-CA 3.37Å; H631-L634 WeakPolarHBondContact O-CB 3.16Å; H631-L634 PolarHBondContact O-N 2.9Å; L634-R636 PolarHBondContact O-N 2.95Å; L634-R636 VanDerWaalsContact O-N 3.13Å; L634-H637 CarbonylContact O-C 3.14Å; L634-H637 WeakPolarHBondContact O-CA 3.48Å; L634-H637 WeakPolarHBondContact O-CB 3.31Å; L634-H637 PolarHBondContact O-N 2.95Å; L634-L638 HydrophobicContact CD1-CD1 4.31Å; L634-L638 HydrophobicContact CD1-CD2 4.22Å; L634-L638 HydrophobicContact CD1-CG 4.01Å; L634-L638 HydrophobicContact CG-CD1 4.21Å; L634-L638 HydrophobicContact CG-CG 4.38Å; L634-L638 WeakPolarHBondContact O-CG 3.43Å; L634-L638 PolarHBondContact O-N 3.43Å
635	A	83.1	Confident	84.1	Confident	34 Å²	34	65.3 Å²	65.3	28%	0.281	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-23.6	177.9	0	0	0	0	0	113.6	H631 R639	H631-A635 WeakPolarHBondContact O-CB 3.35Å; H631-A635 PolarHBondContact O-N 3.42Å; A635-R639 PolarHBondContact O-NE 3.39Å
636	R	84.1	Confident	84.1	Confident	103 Å²	103	61.2 Å²	61.2	39%	0.389	33%	0.328	S	S	.	.	H	α-helix	trans	-80.6	-32	168.9	-174.1	176.2	65.4	162.1	-8.6	112.7	S632 R633 L634 R639 Q658	S632-R636 VanDerWaalsContact O-CB 3.3Å; S632-R636 WeakPolarHBondContact O-CB 3.25Å; S632-R636 PolarHBondContact O-N 2.76Å; S632-R636 VanDerWaalsContact O-N 3.17Å; R633-R636 PolarHBondContact O-N 2.81Å; L634-R636 PolarHBondContact O-N 2.95Å; L634-R636 VanDerWaalsContact O-N 3.13Å; R636-R639 WeakPolarHBondContact O-CB 3.41Å; R636-Q658 HydrophobicContact CG-CG 4.34Å
637	H	86.3	Confident	84.2	Confident	24 Å²	24	58.7 Å²	58.7	11%	0.111	32%	0.316	C	S	.	.	H	α-helix	trans	-73.4	-37.8	176.2	169.3	56.1	0	0	0	113	C621 C624 F628 R633 L634 R639 C640 H641	C621-H637 PolarHBondContact SG-CD2 3.45Å; C621-H637 PolarHBondContact SG-NE2 3.17Å; C621-H637 VanDerWaalsContact SG-NE2 3.41Å; C624-H637 PolarHBondContact SG-NE2 3.22Å; F628-H637 HydrophobicContact CE1-CB 4.11Å; F628-H637 HydrophobicContact CE2-CB 3.8Å; F628-H637 AromaticContact CE2-CD2 3.25Å; F628-H637 WeakPolarHBondContact CE2-CD2 3.27Å; F628-H637 AromaticContact CE2-CG 3.57Å; F628-H637 HydrophobicContact CZ-CB 3.51Å; F628-H637 AromaticContact CZ-CD2 3.48Å; F628-H637 VanDerWaalsContact CZ-CD2 3.48Å; F628-H637 WeakPolarHBondContact CZ-CD2 3.47Å; F628-H637 AromaticContact CZ-CG 3.33Å; F628-H637 AromaticContact CZ-ND1 3.95Å; R633-H637 WeakPolarHBondContact O-CB 3.41Å; R633-H637 PolarHBondContact O-N 2.98Å; L634-H637 CarbonylContact O-C 3.14Å; L634-H637 WeakPolarHBondContact O-CA 3.48Å; L634-H637 WeakPolarHBondContact O-CB 3.31Å; L634-H637 PolarHBondContact O-N 2.95Å; H637-R639 PolarHBondContact O-N 3.32Å; H637-C640 WeakPolarHBondContact O-CA 3.46Å; H637-C640 WeakPolarHBondContact O-CB 3.38Å; H637-C640 PolarHBondContact O-N 3.22Å; H637-H641 AromaticContact CD2-NE2 3.67Å; H637-H641 AromaticContact CE1-NE2 3.27Å; H637-H641 PolarHBondContact CE1-NE2 3.21Å; H637-H641 VanDerWaalsContact CE1-NE2 3.27Å; H637-H641 AromaticContact NE2-CD2 3.85Å; H637-H641 AromaticContact NE2-NE2 2.67Å; H637-H641 PolarHBondContact NE2-NE2 3.31Å
638	L	85	Confident	84.4	Confident	49 Å²	49	61.7 Å²	61.7	26%	0.257	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-21	176.7	-66.9	171.2	0	0	0	113.2	C621 D623 L634 C640 H641 T642	C621-L638 VanDerWaalsContact SG-CD2 3.59Å; D623-L638 WeakPolarHBondContact OD2-CD2 3.42Å; L634-L638 HydrophobicContact CD1-CD1 4.31Å; L634-L638 HydrophobicContact CD1-CD2 4.22Å; L634-L638 HydrophobicContact CD1-CG 4.01Å; L634-L638 HydrophobicContact CG-CD1 4.21Å; L634-L638 HydrophobicContact CG-CG 4.38Å; L634-L638 WeakPolarHBondContact O-CG 3.43Å; L634-L638 PolarHBondContact O-N 3.43Å; L638-C640 PolarHBondContact O-N 3.3Å; L638-H641 PolarHBondContact O-N 3.49Å; L638-T642 PolarHBondContact O-N 2.81Å; L638-T642 PolarHBondContact O-OG1 3.4Å
639	R	88	Confident	85	Confident	62 Å²	62	59.8 Å²	59.8	23%	0.234	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-15.5	169.6	-53.1	179.6	-161.1	-177.4	-0.9	113.8	A635 R636 H637 T642 G643 A644 R657	A635-R639 PolarHBondContact O-NE 3.39Å; R636-R639 WeakPolarHBondContact O-CB 3.41Å; H637-R639 PolarHBondContact O-N 3.32Å; R639-T642 WeakPolarHBondContact CA-OG1 3.36Å; R639-G643 CarbonylContact O-C 3.56Å; R639-G643 PolarHBondContact O-N 2.79Å; R639-A644 HydrophobicContact CB-CB 4.41Å; R639-A644 PolarHBondContact O-N 3.44Å; R639-R657 PolarHBondContact NH1-O 2.91Å; R639-R657 PolarHBondContact O-NE 3.38Å
640	C	87.4	Confident	85.9	Confident	55 Å²	55	64.7 Å²	64.7	37%	0.372	34%	0.337	S	S	.	.	H	α-helix	trans	-75.8	-43	173.2	-68.2	0	0	0	0	111.5	H637 L638 R657	H637-C640 WeakPolarHBondContact O-CA 3.46Å; H637-C640 WeakPolarHBondContact O-CB 3.38Å; H637-C640 PolarHBondContact O-N 3.22Å; L638-C640 PolarHBondContact O-N 3.3Å; C640-R657 PolarHBondContact O-NH2 3.09Å
641	H	88.5	Confident	86.6	Confident	88 Å²	88	69.3 Å²	69.3	41%	0.407	36%	0.356	S	S	.	.	H	α-helix	trans	-76.2	-54.9	-179.3	-58.5	-56.8	0	0	0	111.5	C621 D623 C624 H637 L638 G643	C621-H641 PolarHBondContact SG-NE2 3.19Å; D623-H641 HydrophobicContact CB-CB 4.2Å; D623-H641 PolarHBondContact O-CE1 3.32Å; D623-H641 VanDerWaalsContact OD2-CB 3.26Å; D623-H641 WeakPolarHBondContact OD2-CB 3.47Å; D623-H641 IonicContact OD2-CD2 2.77Å; D623-H641 PolarHBondContact OD2-CD2 3.07Å; D623-H641 IonicContact OD2-CG 3.92Å; C624-H641 WeakPolarHBondContact CB-CE1 3.5Å; C624-H641 PolarHBondContact SG-CE1 2.95Å; C624-H641 PolarHBondContact SG-NE2 3.42Å; H637-H641 AromaticContact CD2-NE2 3.67Å; H637-H641 AromaticContact CE1-NE2 3.27Å; H637-H641 PolarHBondContact CE1-NE2 3.21Å; H637-H641 VanDerWaalsContact CE1-NE2 3.27Å; H637-H641 AromaticContact NE2-CD2 3.85Å; H637-H641 AromaticContact NE2-NE2 2.67Å; H637-H641 PolarHBondContact NE2-NE2 3.31Å; L638-H641 PolarHBondContact O-N 3.49Å; H641-G643 PolarHBondContact O-N 3.43Å
642	T	87.1	Confident	87.2	Confident	100 Å²	100	67.3 Å²	67.3	61%	0.613	35%	0.351	S	S	*	.	S	Bend	trans	-65	-2	175	58.1	0	0	0	0	114.9	L638 R639 A644	L638-T642 PolarHBondContact O-N 2.81Å; L638-T642 PolarHBondContact O-OG1 3.4Å; R639-T642 WeakPolarHBondContact CA-OG1 3.36Å; T642-A644 PolarHBondContact O-N 3.35Å
643	G	85.9	Confident	87.8	Confident	33 Å²	33	66.3 Å²	66.3	34%	0.34	35%	0.35	S	S	.	.			trans	66.5	-7.1	-175.9	0	0	0	0	0	115.8	R639 H641 K645	R639-G643 CarbonylContact O-C 3.56Å; R639-G643 PolarHBondContact O-N 2.79Å; H641-G643 PolarHBondContact O-N 3.43Å; G643-K645 WeakPolarHBondContact O-CG 3.38Å; G643-K645 PolarHBondContact O-N 3.1Å
644	A	87.2	Confident	88.4	Confident	39 Å²	39	67.1 Å²	67.1	32%	0.322	36%	0.357	S	S	.	.			trans	-56.2	123.1	-166.2	0	0	0	0	0	113.9	R639 T642	R639-A644 HydrophobicContact CB-CB 4.41Å; R639-A644 PolarHBondContact O-N 3.44Å; T642-A644 PolarHBondContact O-N 3.35Å
645	K	89.2	Confident	88.7	Confident	107 Å²	107	69.1 Å²	69.1	47%	0.465	37%	0.369	S	S	.	.			trans	-124.3	78	179.7	-71.6	164.1	173.1	-172.2	0	111	G643 Y647 T655 F656 R657	G643-K645 WeakPolarHBondContact O-CG 3.38Å; G643-K645 PolarHBondContact O-N 3.1Å; K645-Y647 PolarHBondContact O-N 2.94Å; K645-T655 WeakPolarHBondContact CD-O 3.48Å; K645-T655 WeakPolarHBondContact CD-OG1 3.37Å; K645-F656 CarbonylContact C-O 3.56Å; K645-F656 WeakPolarHBondContact CA-O 3.23Å; K645-R657 HydrophobicContact CG-CG 3.84Å
646	P	87.6	Confident	89	Confident	85 Å²	85	69.5 Å²	69.5	55%	0.552	37%	0.365	S	S	*	.			trans	-69.2	-15.2	-171	-20.3	33.9	0	0	0	115.1
647	Y	91.3	Very high	89	Confident	76 Å²	76	69.2 Å²	69.2	30%	0.298	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.7	-172.5	-51.4	-80.8	0	0	0	109.5	K645 T655 F656	K645-Y647 PolarHBondContact O-N 2.94Å; Y647-T655 CarbonylContact O-C 3.46Å; Y647-T655 WeakPolarHBondContact O-CA 3.36Å; Y647-F656 WeakPolarHBondContact CD2-O 3.5Å; Y647-F656 PolarHBondContact N-O 3.09Å; Y647-F656 PolarHBondContact O-N 2.79Å
648	K	91.1	Very high	89	Confident	95 Å²	95	71 Å²	71	41%	0.413	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.7	177.6	-176.9	-174.2	166	-139.9	0	110.4	E650 T655 L662	K648-E650 WeakPolarHBondContact CD-OE1 3.04Å; K648-E650 WeakPolarHBondContact CE-OE2 3.42Å; K648-E650 IonicContact NZ-OE1 3.91Å; K648-E650 IonicContact NZ-OE2 3.19Å; K648-E650 PolarHBondContact NZ-OE2 3.05Å; K648-T655 HydrophobicContact CB-CG2 4.12Å; K648-T655 HydrophobicContact CG-CG2 4.14Å; K648-L662 VanDerWaalsContact O-CD2 3.26Å; K648-L662 WeakPolarHBondContact O-CD2 3.43Å
649	C	93.9	Very high	89.1	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.014	38%	0.379	C	S	.	.			trans	-85.2	122.3	162	179	0	0	0	0	108.6	G653 K654 F656 L662	C649-G653 CarbonylContact O-C 3.53Å; C649-G653 WeakPolarHBondContact O-CA 3.25Å; C649-G653 PolarHBondContact O-N 3.02Å; C649-K654 PolarHBondContact N-O 3.19Å; C649-F656 HydrophobicContact CB-CE2 4.42Å; C649-L662 HydrophobicContact CB-CD1 3.58Å
650	E	92.1	Very high	89	Confident	113 Å²	113	71.9 Å²	71.9	53%	0.528	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-29.2	-178.4	-59.8	-51.4	136.7	0	0	112.7	L274 K648	L274-E650 HydrophobicContact CD1-CG 4.21Å; K648-E650 WeakPolarHBondContact CD-OE1 3.04Å; K648-E650 WeakPolarHBondContact CE-OE2 3.42Å; K648-E650 IonicContact NZ-OE1 3.91Å; K648-E650 IonicContact NZ-OE2 3.19Å; K648-E650 PolarHBondContact NZ-OE2 3.05Å
651	E	89.4	Confident	89	Confident	127 Å²	127	71.6 Å²	71.6	59%	0.593	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-35.2	-178.6	-66.5	166.8	-151.1	0	0	113.7	H669	E651-H669 WeakPolarHBondContact OE2-CB 3.27Å; E651-H669 IonicContact OE2-CD2 3.1Å; E651-H669 PolarHBondContact OE2-CD2 3.46Å; E651-H669 IonicContact OE2-CG 3.08Å
652	C	92.3	Very high	89.1	Confident	45 Å²	45	68.2 Å²	68.2	30%	0.304	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	9	-177.3	76.6	0	0	0	0	115.1	K654 H665 H669	C652-K654 PolarHBondContact O-N 3.2Å; C652-H665 PolarHBondContact SG-NE2 3.29Å; C652-H669 WeakPolarHBondContact CB-NE2 3.45Å; C652-H669 PolarHBondContact SG-NE2 2.76Å
653	G	89.6	Confident	89.2	Confident	38 Å²	38	68 Å²	68	39%	0.392	37%	0.371	S	S	.	.			trans	71.4	-9.2	176.8	0	0	0	0	0	116.6	C649	C649-G653 CarbonylContact O-C 3.53Å; C649-G653 WeakPolarHBondContact O-CA 3.25Å; C649-G653 PolarHBondContact O-N 3.02Å
654	K	91.8	Very high	89.3	Confident	116 Å²	116	69.4 Å²	69.4	50%	0.504	37%	0.37	S	S	.	.			trans	-62.9	137	-175	-69.1	175.4	-170.2	168.1	0	111.8	C649 C652 F656	C649-K654 PolarHBondContact N-O 3.19Å; C652-K654 PolarHBondContact O-N 3.2Å; K654-F656 HydrophobicContact CB-CE2 3.77Å; K654-F656 HydrophobicContact CB-CZ 3.95Å; K654-F656 VanDerWaalsContact O-CE2 3.3Å; K654-F656 WeakPolarHBondContact O-CE2 3.03Å
655	T	91.3	Very high	89.4	Confident	60 Å²	60	68.7 Å²	68.7	37%	0.368	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.2	-174.8	54.8	0	0	0	0	113	K645 Y647 K648	K645-T655 WeakPolarHBondContact CD-O 3.48Å; K645-T655 WeakPolarHBondContact CD-OG1 3.37Å; Y647-T655 CarbonylContact O-C 3.46Å; Y647-T655 WeakPolarHBondContact O-CA 3.36Å; K648-T655 HydrophobicContact CB-CG2 4.12Å; K648-T655 HydrophobicContact CG-CG2 4.14Å
656	F	89.2	Confident	89.4	Confident	43 Å²	43	65.6 Å²	65.6	19%	0.189	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.5	-170	-60.2	-89.9	0	0	0	112.3	K645 Y647 C649 K654 Q658 L662 H665	K645-F656 CarbonylContact C-O 3.56Å; K645-F656 WeakPolarHBondContact CA-O 3.23Å; Y647-F656 WeakPolarHBondContact CD2-O 3.5Å; Y647-F656 PolarHBondContact N-O 3.09Å; Y647-F656 PolarHBondContact O-N 2.79Å; C649-F656 HydrophobicContact CB-CE2 4.42Å; K654-F656 HydrophobicContact CB-CE2 3.77Å; K654-F656 HydrophobicContact CB-CZ 3.95Å; K654-F656 VanDerWaalsContact O-CE2 3.3Å; K654-F656 WeakPolarHBondContact O-CE2 3.03Å; F656-Q658 VanDerWaalsContact C-N 3.34Å; F656-L662 HydrophobicContact CB-CB 4.37Å; F656-L662 HydrophobicContact CD2-CB 4.04Å; F656-L662 HydrophobicContact CD2-CD1 3.93Å; F656-L662 HydrophobicContact CE2-CD1 4.1Å; F656-L662 HydrophobicContact CG-CB 4.3Å; F656-H665 HydrophobicContact CE1-CB 4.1Å; F656-H665 HydrophobicContact CE2-CB 4.21Å; F656-H665 AromaticContact CE2-CD2 3.35Å; F656-H665 WeakPolarHBondContact CE2-CD2 3.34Å; F656-H665 HydrophobicContact CZ-CB 3.67Å; F656-H665 AromaticContact CZ-CD2 3.2Å; F656-H665 WeakPolarHBondContact CZ-CD2 3.34Å; F656-H665 AromaticContact CZ-CG 3.5Å
657	R	85.9	Confident	89.5	Confident	97 Å²	97	64.5 Å²	64.5	37%	0.366	33%	0.333	S	S	.	.	S	Bend	trans	-76.3	-18.4	177.9	-65.1	-176.3	169.4	145	-3.4	113.6	R639 C640 K645	R639-R657 PolarHBondContact NH1-O 2.91Å; R639-R657 PolarHBondContact O-NE 3.38Å; C640-R657 PolarHBondContact O-NH2 3.09Å; K645-R657 HydrophobicContact CG-CG 3.84Å
658	Q	85.8	Confident	89.3	Confident	62 Å²	62	64.7 Å²	64.7	29%	0.29	35%	0.345	S	S	.	.	S	Bend	trans	-140.7	143.5	-175.8	-55.4	-173.1	55.4	0	0	110.9	R636 F656 S660 S661 L662	R636-Q658 HydrophobicContact CG-CG 4.34Å; F656-Q658 VanDerWaalsContact C-N 3.34Å; Q658-S660 VanDerWaalsContact C-N 3.34Å; Q658-S660 PolarHBondContact O-N 3.34Å; Q658-S661 WeakPolarHBondContact O-CB 3.32Å; Q658-S661 PolarHBondContact O-N 3.39Å; Q658-L662 PolarHBondContact O-N 2.95Å
659	S	86.9	Confident	89.2	Confident	57 Å²	57	64.6 Å²	64.6	40%	0.399	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-36.2	177.1	48.2	0	0	0	0	112.9	S661 L662 N663	S659-S661 VanDerWaalsContact C-N 3.25Å; S659-S661 PolarHBondContact O-N 3.07Å; S659-L662 WeakPolarHBondContact O-CB 3.26Å; S659-L662 PolarHBondContact O-N 3.24Å; S659-L662 VanDerWaalsContact O-N 3.11Å; S659-N663 PolarHBondContact O-N 3.24Å; S659-N663 PolarHBondContact O-OD1 3.42Å
660	S	85.3	Confident	88.8	Confident	72 Å²	72	67.9 Å²	67.9	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-33.9	174.6	52.7	0	0	0	0	113	Q658 L664	Q658-S660 VanDerWaalsContact C-N 3.34Å; Q658-S660 PolarHBondContact O-N 3.34Å; S660-L664 WeakPolarHBondContact O-CB 3.26Å; S660-L664 PolarHBondContact O-N 3.27Å; S660-L664 VanDerWaalsContact O-N 3.09Å
661	S	88.3	Confident	88.5	Confident	48 Å²	48	64.8 Å²	64.8	34%	0.336	37%	0.365	S	S	.	.	H	α-helix	trans	-72.1	-37.1	174.1	-52.2	0	0	0	0	112.1	Q658 S659 H665	Q658-S661 WeakPolarHBondContact O-CB 3.32Å; Q658-S661 PolarHBondContact O-N 3.39Å; S659-S661 VanDerWaalsContact C-N 3.25Å; S659-S661 PolarHBondContact O-N 3.07Å; S661-H665 WeakPolarHBondContact O-CB 3.18Å; S661-H665 PolarHBondContact O-N 2.59Å; S661-H665 VanDerWaalsContact O-N 3.13Å
662	L	90.9	Very high	88.4	Confident	17 Å²	17	62.3 Å²	62.3	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-49.8	172.3	172.2	60.4	0	0	0	111.2	K648 C649 F656 Q658 S659 L664 H665 I666	K648-L662 VanDerWaalsContact O-CD2 3.26Å; K648-L662 WeakPolarHBondContact O-CD2 3.43Å; C649-L662 HydrophobicContact CB-CD1 3.58Å; F656-L662 HydrophobicContact CB-CB 4.37Å; F656-L662 HydrophobicContact CD2-CB 4.04Å; F656-L662 HydrophobicContact CD2-CD1 3.93Å; F656-L662 HydrophobicContact CE2-CD1 4.1Å; F656-L662 HydrophobicContact CG-CB 4.3Å; Q658-L662 PolarHBondContact O-N 2.95Å; S659-L662 WeakPolarHBondContact O-CB 3.26Å; S659-L662 PolarHBondContact O-N 3.24Å; S659-L662 VanDerWaalsContact O-N 3.11Å; L662-L664 VanDerWaalsContact C-N 3.32Å; L662-L664 PolarHBondContact O-N 3.45Å; L662-H665 CarbonylContact O-C 3.21Å; L662-H665 WeakPolarHBondContact O-CA 3.5Å; L662-H665 WeakPolarHBondContact O-CB 3.22Å; L662-H665 PolarHBondContact O-N 3.43Å; L662-I666 HydrophobicContact CD1-CD1 3.96Å; L662-I666 HydrophobicContact CD1-CG1 4.02Å; L662-I666 HydrophobicContact CD2-CD1 4.49Å; L662-I666 HydrophobicContact CG-CD1 3.87Å; L662-I666 HydrophobicContact CG-CG1 4.38Å; L662-I666 WeakPolarHBondContact O-CG1 3.26Å; L662-I666 PolarHBondContact O-N 3.48Å
663	N	88.2	Confident	88.2	Confident	97 Å²	97	65.9 Å²	65.9	52%	0.519	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-39.2	-178.8	-67.4	13.9	0	0	0	111.8	S659 H665 I666 R667	S659-N663 PolarHBondContact O-N 3.24Å; S659-N663 PolarHBondContact O-OD1 3.42Å; N663-H665 VanDerWaalsContact C-N 3.26Å; N663-H665 PolarHBondContact O-N 2.95Å; N663-I666 PolarHBondContact O-N 2.93Å; N663-R667 PolarHBondContact O-N 2.97Å
664	L	87.5	Confident	88.1	Confident	62 Å²	62	67.4 Å²	67.4	33%	0.325	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-32.7	172.2	175.2	58.4	0	0	0	112.4	S660 L662 R686	S660-L664 WeakPolarHBondContact O-CB 3.26Å; S660-L664 PolarHBondContact O-N 3.27Å; S660-L664 VanDerWaalsContact O-N 3.09Å; L662-L664 VanDerWaalsContact C-N 3.32Å; L662-L664 PolarHBondContact O-N 3.45Å; L664-R686 HydrophobicContact CD1-CG 3.41Å; L664-R686 VanDerWaalsContact CD1-CG 3.41Å; L664-R686 HydrophobicContact CD2-CG 4.23Å; L664-R686 HydrophobicContact CG-CG 4.49Å
665	H	89.6	Confident	87.9	Confident	24 Å²	24	65.5 Å²	65.5	11%	0.111	36%	0.357	C	S	.	.	H	α-helix	trans	-76.8	-36.9	175.6	174.6	42.7	0	0	0	112.9	C652 F656 S661 L662 N663 R667 S668 H669	C652-H665 PolarHBondContact SG-NE2 3.29Å; F656-H665 HydrophobicContact CE1-CB 4.1Å; F656-H665 HydrophobicContact CE2-CB 4.21Å; F656-H665 AromaticContact CE2-CD2 3.35Å; F656-H665 WeakPolarHBondContact CE2-CD2 3.34Å; F656-H665 HydrophobicContact CZ-CB 3.67Å; F656-H665 AromaticContact CZ-CD2 3.2Å; F656-H665 WeakPolarHBondContact CZ-CD2 3.34Å; F656-H665 AromaticContact CZ-CG 3.5Å; S661-H665 WeakPolarHBondContact O-CB 3.18Å; S661-H665 PolarHBondContact O-N 2.59Å; S661-H665 VanDerWaalsContact O-N 3.13Å; L662-H665 CarbonylContact O-C 3.21Å; L662-H665 WeakPolarHBondContact O-CA 3.5Å; L662-H665 WeakPolarHBondContact O-CB 3.22Å; L662-H665 PolarHBondContact O-N 3.43Å; N663-H665 VanDerWaalsContact C-N 3.26Å; N663-H665 PolarHBondContact O-N 2.95Å; H665-R667 PolarHBondContact O-N 2.91Å; H665-S668 PolarHBondContact ND1-OG 2.86Å; H665-S668 WeakPolarHBondContact O-CA 3.4Å; H665-S668 WeakPolarHBondContact O-CB 3.42Å; H665-S668 PolarHBondContact O-N 2.86Å; H665-S668 PolarHBondContact O-OG 3.14Å; H665-H669 AromaticContact CE1-NE2 3.79Å
666	I	88.8	Confident	87.7	Confident	41 Å²	41	68.5 Å²	68.5	21%	0.21	37%	0.365	C	S	.	.	H	α-helix	trans	-57.5	-38.6	174.5	-68.5	166.8	0	0	0	110.6	L662 N663 S668 H669 T670	L662-I666 HydrophobicContact CD1-CD1 3.96Å; L662-I666 HydrophobicContact CD1-CG1 4.02Å; L662-I666 HydrophobicContact CD2-CD1 4.49Å; L662-I666 HydrophobicContact CG-CD1 3.87Å; L662-I666 HydrophobicContact CG-CG1 4.38Å; L662-I666 WeakPolarHBondContact O-CG1 3.26Å; L662-I666 PolarHBondContact O-N 3.48Å; N663-I666 PolarHBondContact O-N 2.93Å; I666-S668 PolarHBondContact O-N 3.47Å; I666-S668 VanDerWaalsContact O-N 3.09Å; I666-H669 WeakPolarHBondContact O-CA 3.43Å; I666-H669 WeakPolarHBondContact O-CB 3.48Å; I666-H669 PolarHBondContact O-N 2.95Å; I666-T670 HydrophobicContact CG2-CG2 4.11Å; I666-T670 PolarHBondContact O-N 3.4Å
667	R	89.5	Confident	87.5	Confident	63 Å²	63	66.5 Å²	66.5	24%	0.238	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-19.9	171.8	-65.2	-174.4	177	160.3	2.4	115.2	N663 H665 H669 G671 E672 S685	N663-R667 PolarHBondContact O-N 2.97Å; H665-R667 PolarHBondContact O-N 2.91Å; R667-H669 VanDerWaalsContact C-N 3.34Å; R667-G671 CarbonylContact O-C 3.42Å; R667-G671 WeakPolarHBondContact O-CA 3.49Å; R667-G671 PolarHBondContact O-N 3.39Å; R667-G671 VanDerWaalsContact O-N 3.12Å; R667-E672 HydrophobicContact CB-CB 4.1Å; R667-E672 HydrophobicContact CG-CB 3.83Å; R667-E672 IonicContact NE-OE2 2.63Å; R667-E672 PolarHBondContact O-N 3.31Å; R667-S685 PolarHBondContact NH1-O 2.83Å; R667-S685 VanDerWaalsContact NH1-O 3.17Å
668	S	87.9	Confident	87.3	Confident	79 Å²	79	68.7 Å²	68.7	55%	0.552	38%	0.375	S	S	*	.	H	α-helix	trans	-81.5	-12.8	173.3	70.3	0	0	0	0	113.6	H665 I666	H665-S668 PolarHBondContact ND1-OG 2.86Å; H665-S668 WeakPolarHBondContact O-CA 3.4Å; H665-S668 WeakPolarHBondContact O-CB 3.42Å; H665-S668 PolarHBondContact O-N 2.86Å; H665-S668 PolarHBondContact O-OG 3.14Å; I666-S668 PolarHBondContact O-N 3.47Å; I666-S668 VanDerWaalsContact O-N 3.09Å
669	H	88.5	Confident	86.7	Confident	93 Å²	93	73.2 Å²	73.2	43%	0.431	39%	0.39	S	S	.	.	H	α-helix	trans	-95.4	-47.7	169	-59.4	-51.8	0	0	0	111.4	E651 C652 H665 I666 R667 G671	E651-H669 WeakPolarHBondContact OE2-CB 3.27Å; E651-H669 IonicContact OE2-CD2 3.1Å; E651-H669 PolarHBondContact OE2-CD2 3.46Å; E651-H669 IonicContact OE2-CG 3.08Å; C652-H669 WeakPolarHBondContact CB-NE2 3.45Å; C652-H669 PolarHBondContact SG-NE2 2.76Å; H665-H669 AromaticContact CE1-NE2 3.79Å; I666-H669 WeakPolarHBondContact O-CA 3.43Å; I666-H669 WeakPolarHBondContact O-CB 3.48Å; I666-H669 PolarHBondContact O-N 2.95Å; R667-H669 VanDerWaalsContact C-N 3.34Å; H669-G671 PolarHBondContact O-N 3.38Å
670	T	87.1	Confident	86.4	Confident	71 Å²	71	73.7 Å²	73.7	44%	0.436	39%	0.393	S	S	.	.	H	α-helix	trans	-72.8	-11.7	179.5	65.6	0	0	0	0	113.8	I666 E672	I666-T670 HydrophobicContact CG2-CG2 4.11Å; I666-T670 PolarHBondContact O-N 3.4Å; T670-E672 WeakPolarHBondContact CB-OE1 3.25Å; T670-E672 PolarHBondContact O-N 3.44Å; T670-E672 WeakPolarHBondContact OG1-CB 3.2Å; T670-E672 VanDerWaalsContact OG1-CD 3.3Å; T670-E672 WeakPolarHBondContact OG1-CG 3.26Å; T670-E672 PolarHBondContact OG1-OE1 3.13Å
671	G	85.1	Confident	86.1	Confident	49 Å²	49	72 Å²	72	51%	0.505	39%	0.387	S	S	.	.			trans	71.6	4.3	-176.8	0	0	0	0	0	114.4	R667 H669 K673	R667-G671 CarbonylContact O-C 3.42Å; R667-G671 WeakPolarHBondContact O-CA 3.49Å; R667-G671 PolarHBondContact O-N 3.39Å; R667-G671 VanDerWaalsContact O-N 3.12Å; H669-G671 PolarHBondContact O-N 3.38Å; G671-K673 PolarHBondContact O-N 3.24Å
672	E	87.1	Confident	85.9	Confident	74 Å²	74	71.3 Å²	71.3	35%	0.346	38%	0.384	S	S	.	.			trans	-55.3	125.5	-176.4	-88.7	169	-116.5	0	0	113.4	R667 T670 P674 S685	R667-E672 HydrophobicContact CB-CB 4.1Å; R667-E672 HydrophobicContact CG-CB 3.83Å; R667-E672 IonicContact NE-OE2 2.63Å; R667-E672 PolarHBondContact O-N 3.31Å; T670-E672 WeakPolarHBondContact CB-OE1 3.25Å; T670-E672 PolarHBondContact O-N 3.44Å; T670-E672 WeakPolarHBondContact OG1-CB 3.2Å; T670-E672 VanDerWaalsContact OG1-CD 3.3Å; T670-E672 WeakPolarHBondContact OG1-CG 3.26Å; T670-E672 PolarHBondContact OG1-OE1 3.13Å; E672-P674 HydrophobicContact CB-CG 4.5Å; E672-S685 WeakPolarHBondContact O-CB 3.4Å
673	K	88.1	Confident	85.8	Confident	120 Å²	120	73.6 Å²	73.6	52%	0.522	40%	0.399	S	S	.	.			trans	-127.1	72.2	175.5	-69.3	168.6	175.6	-174	0	111	G671 Y675 T683 F684	G671-K673 PolarHBondContact O-N 3.24Å; K673-Y675 PolarHBondContact O-N 3.39Å; K673-Y675 VanDerWaalsContact O-N 3.16Å; K673-T683 WeakPolarHBondContact CD-O 3.31Å; K673-T683 WeakPolarHBondContact CD-OG1 3.41Å; K673-F684 CarbonylContact C-O 3.22Å; K673-F684 VanDerWaalsContact CA-O 3.23Å; K673-F684 WeakPolarHBondContact CA-O 3.4Å
674	P	87.3	Confident	85.7	Confident	71 Å²	71	70.7 Å²	70.7	46%	0.461	38%	0.382	S	S	.	.			trans	-69.6	-13.4	-170.5	-20.6	35.3	0	0	0	114.8	E672	E672-P674 HydrophobicContact CB-CG 4.5Å
675	Y	88.4	Confident	85.6	Confident	76 Å²	76	69.7 Å²	69.7	30%	0.298	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	96	-176.4	-52.8	-74.4	0	0	0	109.4	K673 T683 F684 S685 S687	K673-Y675 PolarHBondContact O-N 3.39Å; K673-Y675 VanDerWaalsContact O-N 3.16Å; Y675-T683 CarbonylContact O-C 3.6Å; Y675-T683 WeakPolarHBondContact O-CA 3.27Å; Y675-F684 WeakPolarHBondContact CD2-O 3.29Å; Y675-F684 PolarHBondContact N-O 3.41Å; Y675-F684 VanDerWaalsContact N-O 3.12Å; Y675-F684 PolarHBondContact O-N 3.42Å; Y675-S685 WeakPolarHBondContact CE2-O 3.3Å; Y675-S687 VanDerWaalsContact CD2-N 3.25Å; Y675-S687 VanDerWaalsContact CE2-N 3.32Å
676	K	86.8	Confident	85.3	Confident	123 Å²	123	73.9 Å²	73.9	54%	0.535	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	145.6	173.2	-172.7	-175.1	174.8	-167.3	0	110.2	A682 T683 L690	K676-A682 CarbonylContact C-O 3.59Å; K676-T683 HydrophobicContact CB-CG2 4.27Å; K676-T683 HydrophobicContact CG-CG2 4.26Å; K676-L690 VanDerWaalsContact O-CD2 3.3Å; K676-L690 WeakPolarHBondContact O-CD2 3.11Å
677	C	84.1	Confident	85.1	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.403	C	S	.	.			trans	-93.4	123.8	167.1	-178.1	0	0	0	0	110.2	Y679 C680 G681 A682 F684 L690 H693	C677-Y679 PolarHBondContact O-N 3.43Å; C677-C680 PolarHBondContact O-N 3.39Å; C677-G681 VanDerWaalsContact O-CA 3.25Å; C677-G681 WeakPolarHBondContact O-CA 3.37Å; C677-G681 PolarHBondContact O-N 3.28Å; C677-A682 HydrophobicContact CB-CB 4.48Å; C677-A682 WeakPolarHBondContact CB-O 3.05Å; C677-A682 PolarHBondContact N-O 2.9Å; C677-F684 HydrophobicContact CB-CE2 4.22Å; C677-L690 HydrophobicContact CB-CD1 3.52Å; C677-H693 VanDerWaalsContact SG-CD2 3.52Å
678	D	81.4	Confident	84.9	Confident	143 Å²	143	74.5 Å²	74.5	77%	0.765	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-33.6	-175.2	-51.9	-62.8	0	0	0	112.3	C680	D678-C680 VanDerWaalsContact C-N 3.3Å; D678-C680 PolarHBondContact O-N 3.19Å
679	Y	73.9	Confident	84.7	Confident	158 Å²	158	73.8 Å²	73.8	62%	0.62	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.3	178.1	-60.3	-75.5	0	0	0	115.8	C677 V694 H697	C677-Y679 PolarHBondContact O-N 3.43Å; Y679-V694 HydrophobicContact CD2-CG2 4.48Å; Y679-V694 HydrophobicContact CE2-CG1 4Å; Y679-H697 HydrophobicContact CD1-CB 4.35Å; Y679-H697 HydrophobicContact CD2-CB 3.9Å; Y679-H697 AromaticContact CD2-CD2 3.98Å; Y679-H697 HydrophobicContact CE2-CB 4.44Å; Y679-H697 HydrophobicContact CG-CB 3.86Å; Y679-H697 AromaticContact CG-CG 3.93Å
680	C	79.8	Confident	84.5	Confident	67 Å²	67	70.7 Å²	70.7	45%	0.453	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	4.2	-173.2	69.4	0	0	0	0	115.7	C677 D678 A682 H693 H697	C677-C680 PolarHBondContact O-N 3.39Å; D678-C680 VanDerWaalsContact C-N 3.3Å; D678-C680 PolarHBondContact O-N 3.19Å; C680-A682 PolarHBondContact O-N 2.98Å; C680-A682 VanDerWaalsContact O-N 3.13Å; C680-H693 PolarHBondContact SG-NE2 2.93Å; C680-H697 PolarHBondContact SG-NE2 3.33Å; C680-H697 VanDerWaalsContact SG-NE2 3.45Å
681	G	80.6	Confident	84.3	Confident	36 Å²	36	71.4 Å²	71.4	37%	0.371	39%	0.389	S	S	.	.			trans	73.7	-8.8	-179.3	0	0	0	0	0	116.5	C677 T683	C677-G681 VanDerWaalsContact O-CA 3.25Å; C677-G681 WeakPolarHBondContact O-CA 3.37Å; C677-G681 PolarHBondContact O-N 3.28Å; G681-T683 PolarHBondContact O-N 3.1Å
682	A	83.1	Confident	84	Confident	34 Å²	34	74.7 Å²	74.7	28%	0.281	39%	0.391	S	S	.	.			trans	-58.1	135.9	-177.7	0	0	0	0	0	112.4	K676 C677 C680 F684	K676-A682 CarbonylContact C-O 3.59Å; C677-A682 HydrophobicContact CB-CB 4.48Å; C677-A682 WeakPolarHBondContact CB-O 3.05Å; C677-A682 PolarHBondContact N-O 2.9Å; C680-A682 PolarHBondContact O-N 2.98Å; C680-A682 VanDerWaalsContact O-N 3.13Å; A682-F684 HydrophobicContact CB-CE2 3.87Å; A682-F684 HydrophobicContact CB-CZ 3.82Å; A682-F684 WeakPolarHBondContact O-CE2 3.21Å
683	T	88.3	Confident	83.7	Confident	64 Å²	64	72.9 Å²	72.9	39%	0.393	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.9	-174.5	59.5	0	0	0	0	112.9	K673 Y675 K676 G681	K673-T683 WeakPolarHBondContact CD-O 3.31Å; K673-T683 WeakPolarHBondContact CD-OG1 3.41Å; Y675-T683 CarbonylContact O-C 3.6Å; Y675-T683 WeakPolarHBondContact O-CA 3.27Å; K676-T683 HydrophobicContact CB-CG2 4.27Å; K676-T683 HydrophobicContact CG-CG2 4.26Å; G681-T683 PolarHBondContact O-N 3.1Å
684	F	86.3	Confident	83.2	Confident	37 Å²	37	69 Å²	69	16%	0.162	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.8	-174.4	-53.9	-81.8	0	0	0	111.9	K673 Y675 C677 A682 R686 I689 L690 H693	K673-F684 CarbonylContact C-O 3.22Å; K673-F684 VanDerWaalsContact CA-O 3.23Å; K673-F684 WeakPolarHBondContact CA-O 3.4Å; Y675-F684 WeakPolarHBondContact CD2-O 3.29Å; Y675-F684 PolarHBondContact N-O 3.41Å; Y675-F684 VanDerWaalsContact N-O 3.12Å; Y675-F684 PolarHBondContact O-N 3.42Å; C677-F684 HydrophobicContact CB-CE2 4.22Å; A682-F684 HydrophobicContact CB-CE2 3.87Å; A682-F684 HydrophobicContact CB-CZ 3.82Å; A682-F684 WeakPolarHBondContact O-CE2 3.21Å; F684-R686 VanDerWaalsContact C-N 3.32Å; F684-I689 HydrophobicContact CB-CB 4.44Å; F684-I689 HydrophobicContact CD1-CB 4.23Å; F684-I689 HydrophobicContact CD1-CG2 3.47Å; F684-I689 VanDerWaalsContact CD1-CG2 3.47Å; F684-I689 HydrophobicContact CE1-CG2 3.94Å; F684-I689 HydrophobicContact CG-CG2 4.18Å; F684-L690 HydrophobicContact CD2-CB 3.98Å; F684-L690 HydrophobicContact CD2-CD1 3.93Å; F684-L690 HydrophobicContact CE2-CD1 4.05Å; F684-L690 HydrophobicContact CG-CB 4.5Å; F684-H693 HydrophobicContact CE1-CB 4.33Å; F684-H693 HydrophobicContact CE2-CB 4.05Å; F684-H693 AromaticContact CE2-CD2 3.55Å; F684-H693 AromaticContact CE2-CG 3.77Å; F684-H693 HydrophobicContact CZ-CB 3.73Å; F684-H693 AromaticContact CZ-CD2 3.58Å; F684-H693 AromaticContact CZ-CG 3.38Å; F684-H693 AromaticContact CZ-ND1 3.72Å
685	S	85.4	Confident	82.8	Confident	40 Å²	40	71.5 Å²	71.5	28%	0.28	37%	0.373	S	S	.	.	S	Bend	trans	-81.1	-11.1	176.9	57.3	0	0	0	0	113.8	R667 E672 Y675	R667-S685 PolarHBondContact NH1-O 2.83Å; R667-S685 VanDerWaalsContact NH1-O 3.17Å; E672-S685 WeakPolarHBondContact O-CB 3.4Å; Y675-S685 WeakPolarHBondContact CE2-O 3.3Å
686	R	83.8	Confident	82	Confident	113 Å²	113	71.6 Å²	71.6	43%	0.426	38%	0.378	S	S	.	.	S	Bend	trans	-135.2	134.5	-178.7	-67.2	173.2	59.3	154.9	-2.9	111.6	L664 F684 T688 I689 L690	L664-R686 HydrophobicContact CD1-CG 3.41Å; L664-R686 VanDerWaalsContact CD1-CG 3.41Å; L664-R686 HydrophobicContact CD2-CG 4.23Å; L664-R686 HydrophobicContact CG-CG 4.49Å; F684-R686 VanDerWaalsContact C-N 3.32Å; R686-T688 VanDerWaalsContact C-N 3.26Å; R686-T688 PolarHBondContact NE-OG1 3.39Å; R686-T688 PolarHBondContact NH2-OG1 3.27Å; R686-T688 PolarHBondContact O-N 3.3Å; R686-I689 HydrophobicContact CB-CD1 4.08Å; R686-I689 HydrophobicContact CB-CG1 4.05Å; R686-I689 HydrophobicContact CG-CD1 4.42Å; R686-I689 PolarHBondContact O-N 2.85Å; R686-L690 PolarHBondContact O-N 2.82Å
687	S	85.1	Confident	81	Confident	57 Å²	57	68.3 Å²	68.3	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-32.1	173	52.3	0	0	0	0	113	Y675 I689 L690 V691	Y675-S687 VanDerWaalsContact CD2-N 3.25Å; Y675-S687 VanDerWaalsContact CE2-N 3.32Å; S687-I689 VanDerWaalsContact C-N 3.31Å; S687-I689 PolarHBondContact O-N 3.39Å; S687-L690 WeakPolarHBondContact O-CB 3.45Å; S687-L690 PolarHBondContact O-N 2.74Å; S687-V691 WeakPolarHBondContact O-CG2 3.07Å; S687-V691 PolarHBondContact O-N 3.08Å
688	T	84.7	Confident	80.1	Confident	59 Å²	59	71.9 Å²	71.9	36%	0.362	39%	0.386	S	S	.	.	H	α-helix	trans	-60.2	-41.4	176.9	60.9	0	0	0	0	112.1	R686 V691 E692	R686-T688 VanDerWaalsContact C-N 3.26Å; R686-T688 PolarHBondContact NE-OG1 3.39Å; R686-T688 PolarHBondContact NH2-OG1 3.27Å; R686-T688 PolarHBondContact O-N 3.3Å; T688-V691 PolarHBondContact O-N 2.71Å; T688-E692 WeakPolarHBondContact O-CG 3.21Å; T688-E692 PolarHBondContact O-N 2.67Å
689	I	83.7	Confident	79.1	Confident	64 Å²	64	70.5 Å²	70.5	33%	0.328	38%	0.376	S	S	.	.	H	α-helix	trans	-71.5	-36.8	178.7	-55.6	175.2	0	0	0	110	F684 R686 S687 E692 H693	F684-I689 HydrophobicContact CB-CB 4.44Å; F684-I689 HydrophobicContact CD1-CB 4.23Å; F684-I689 HydrophobicContact CD1-CG2 3.47Å; F684-I689 VanDerWaalsContact CD1-CG2 3.47Å; F684-I689 HydrophobicContact CE1-CG2 3.94Å; F684-I689 HydrophobicContact CG-CG2 4.18Å; R686-I689 HydrophobicContact CB-CD1 4.08Å; R686-I689 HydrophobicContact CB-CG1 4.05Å; R686-I689 HydrophobicContact CG-CD1 4.42Å; R686-I689 PolarHBondContact O-N 2.85Å; S687-I689 VanDerWaalsContact C-N 3.31Å; S687-I689 PolarHBondContact O-N 3.39Å; I689-E692 PolarHBondContact O-N 3.16Å; I689-H693 WeakPolarHBondContact O-CB 3.37Å; I689-H693 PolarHBondContact O-N 2.67Å
690	L	83.8	Confident	78.6	Confident	29 Å²	29	66.2 Å²	66.2	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-46.1	171	173.9	61.7	0	0	0	111.5	K676 C677 F684 R686 S687 E692 H693 V694	K676-L690 VanDerWaalsContact O-CD2 3.3Å; K676-L690 WeakPolarHBondContact O-CD2 3.11Å; C677-L690 HydrophobicContact CB-CD1 3.52Å; F684-L690 HydrophobicContact CD2-CB 3.98Å; F684-L690 HydrophobicContact CD2-CD1 3.93Å; F684-L690 HydrophobicContact CE2-CD1 4.05Å; F684-L690 HydrophobicContact CG-CB 4.5Å; R686-L690 PolarHBondContact O-N 2.82Å; S687-L690 WeakPolarHBondContact O-CB 3.45Å; S687-L690 PolarHBondContact O-N 2.74Å; L690-E692 PolarHBondContact O-N 3.41Å; L690-H693 CarbonylContact O-C 3.49Å; L690-H693 PolarHBondContact O-N 2.83Å; L690-V694 HydrophobicContact CD1-CG2 3.83Å; L690-V694 HydrophobicContact CG-CG2 4.28Å; L690-V694 WeakPolarHBondContact O-CB 3.39Å; L690-V694 VanDerWaalsContact O-CG2 3.31Å; L690-V694 WeakPolarHBondContact O-CG2 3.25Å; L690-V694 PolarHBondContact O-N 3.18Å
691	V	83.2	Confident	77.6	Confident	85 Å²	85	68.4 Å²	68.4	52%	0.515	36%	0.363	S	S	.	.	H	α-helix	trans	-64.9	-39	178.7	171.9	0	0	0	0	111.7	S687 T688 K695	S687-V691 WeakPolarHBondContact O-CG2 3.07Å; S687-V691 PolarHBondContact O-N 3.08Å; T688-V691 PolarHBondContact O-N 2.71Å; V691-K695 WeakPolarHBondContact O-CG 3.27Å; V691-K695 PolarHBondContact O-N 3.01Å
692	E	79.1	Confident	76.6	Confident	118 Å²	118	66.9 Å²	66.9	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-65.6	-37.6	173.3	-74.2	160.2	-172.7	0	0	112.1	T688 I689 L690	T688-E692 WeakPolarHBondContact O-CG 3.21Å; T688-E692 PolarHBondContact O-N 2.67Å; I689-E692 PolarHBondContact O-N 3.16Å; L690-E692 PolarHBondContact O-N 3.41Å
693	H	80.1	Confident	75.4	Confident	36 Å²	36	75.1 Å²	75.1	17%	0.167	38%	0.376	C	S	.	.	H	α-helix	trans	-71.5	-38	175.4	174.2	77.3	0	0	0	113.1	C677 C680 F684 I689 L690 K695 I696 H697	C677-H693 VanDerWaalsContact SG-CD2 3.52Å; C680-H693 PolarHBondContact SG-NE2 2.93Å; F684-H693 HydrophobicContact CE1-CB 4.33Å; F684-H693 HydrophobicContact CE2-CB 4.05Å; F684-H693 AromaticContact CE2-CD2 3.55Å; F684-H693 AromaticContact CE2-CG 3.77Å; F684-H693 HydrophobicContact CZ-CB 3.73Å; F684-H693 AromaticContact CZ-CD2 3.58Å; F684-H693 AromaticContact CZ-CG 3.38Å; F684-H693 AromaticContact CZ-ND1 3.72Å; I689-H693 WeakPolarHBondContact O-CB 3.37Å; I689-H693 PolarHBondContact O-N 2.67Å; L690-H693 CarbonylContact O-C 3.49Å; L690-H693 PolarHBondContact O-N 2.83Å; H693-K695 PolarHBondContact O-N 2.93Å; H693-I696 WeakPolarHBondContact O-CB 3.42Å; H693-I696 WeakPolarHBondContact O-CG1 3.4Å; H693-I696 PolarHBondContact O-N 3.11Å; H693-H697 AromaticContact CD2-NE2 3.7Å; H693-H697 AromaticContact CE1-NE2 3.52Å; H693-H697 AromaticContact NE2-CD2 3.82Å; H693-H697 AromaticContact NE2-NE2 2.99Å; H693-H697 PolarHBondContact NE2-NE2 3.27Å
694	V	77.9	Confident	74.1	Confident	40 Å²	40	77.8 Å²	77.8	24%	0.242	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-30.6	176.3	165.8	0	0	0	0	111.5	Y679 L690 I696 H697 T698	Y679-V694 HydrophobicContact CD2-CG2 4.48Å; Y679-V694 HydrophobicContact CE2-CG1 4Å; L690-V694 HydrophobicContact CD1-CG2 3.83Å; L690-V694 HydrophobicContact CG-CG2 4.28Å; L690-V694 WeakPolarHBondContact O-CB 3.39Å; L690-V694 VanDerWaalsContact O-CG2 3.31Å; L690-V694 WeakPolarHBondContact O-CG2 3.25Å; L690-V694 PolarHBondContact O-N 3.18Å; V694-I696 PolarHBondContact O-N 3.43Å; V694-I696 VanDerWaalsContact O-N 3.13Å; V694-H697 PolarHBondContact O-N 3.05Å; V694-T698 PolarHBondContact O-N 2.93Å; V694-T698 VanDerWaalsContact O-N 3.11Å
695	K	78.5	Confident	73.6	Confident	123 Å²	123	78.4 Å²	78.4	54%	0.535	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-15.2	171.4	-67.3	171.3	-173.3	179.7	0	114.2	V691 H693 T698 Y700	V691-K695 WeakPolarHBondContact O-CG 3.27Å; V691-K695 PolarHBondContact O-N 3.01Å; H693-K695 PolarHBondContact O-N 2.93Å; K695-T698 WeakPolarHBondContact CA-OG1 3.23Å; K695-T698 PolarHBondContact O-OG1 3.15Å; K695-Y700 PolarHBondContact O-OH 2.81Å
696	I	72.5	Confident	72.7	Confident	78 Å²	78	78.2 Å²	78.2	40%	0.4	40%	0.395	S	S	.	.	H	α-helix	trans	-80.1	-25.1	174.2	-49.8	174.2	0	0	0	110.9	H693 V694	H693-I696 WeakPolarHBondContact O-CB 3.42Å; H693-I696 WeakPolarHBondContact O-CG1 3.4Å; H693-I696 PolarHBondContact O-N 3.11Å; V694-I696 PolarHBondContact O-N 3.43Å; V694-I696 VanDerWaalsContact O-N 3.13Å
697	H	65.2	Low	72.2	Confident	54 Å²	54	77.9 Å²	77.9	25%	0.25	40%	0.397	C	S	.	.	H	α-helix	trans	-91.2	-26.5	176.8	-58.4	-65.9	0	0	0	112.9	Y679 C680 H693 V694 M699	Y679-H697 HydrophobicContact CD1-CB 4.35Å; Y679-H697 HydrophobicContact CD2-CB 3.9Å; Y679-H697 AromaticContact CD2-CD2 3.98Å; Y679-H697 HydrophobicContact CE2-CB 4.44Å; Y679-H697 HydrophobicContact CG-CB 3.86Å; Y679-H697 AromaticContact CG-CG 3.93Å; C680-H697 PolarHBondContact SG-NE2 3.33Å; C680-H697 VanDerWaalsContact SG-NE2 3.45Å; H693-H697 AromaticContact CD2-NE2 3.7Å; H693-H697 AromaticContact CE1-NE2 3.52Å; H693-H697 AromaticContact NE2-CD2 3.82Å; H693-H697 AromaticContact NE2-NE2 2.99Å; H693-H697 PolarHBondContact NE2-NE2 3.27Å; V694-H697 PolarHBondContact O-N 3.05Å; H697-M699 PolarHBondContact O-N 3.37Å
698	T	66.1	Low	71.2	Confident	75 Å²	75	82 Å²	82	46%	0.46	41%	0.408	S	S	.	.	S	Bend	trans	-64.5	124.1	170.5	55.6	0	0	0	0	110.1	V694 K695 Y700	V694-T698 PolarHBondContact O-N 2.93Å; V694-T698 VanDerWaalsContact O-N 3.11Å; K695-T698 WeakPolarHBondContact CA-OG1 3.23Å; K695-T698 PolarHBondContact O-OG1 3.15Å; T698-Y700 PolarHBondContact O-N 2.86Å
699	M	61.2	Low	70.3	Confident	113 Å²	113	81.1 Å²	81.1	56%	0.557	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-58.5	130.8	-166.3	-65.9	-171.6	-175.6	0	0	113.9	H697 K708 F709 K710	H697-M699 PolarHBondContact O-N 3.37Å; M699-K708 HydrophobicContact CB-CB 4.33Å; M699-K708 HydrophobicContact SD-CB 3.95Å; M699-F709 CarbonylContact C-O 3.57Å; M699-F709 VanDerWaalsContact CA-O 3.27Å; M699-F709 WeakPolarHBondContact CA-O 3.41Å; M699-K710 HydrophobicContact CE-CG 4.28Å
700	Y	62	Low	68.9	Low	69 Å²	69	86.5 Å²	86.5	27%	0.271	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.6	174.9	-69.3	-93.8	0	0	0	109.9	K695 T698 F709 W712	K695-Y700 PolarHBondContact O-OH 2.81Å; T698-Y700 PolarHBondContact O-N 2.86Å; Y700-F709 PolarHBondContact N-O 3.5Å; Y700-F709 WeakPolarHBondContact O-CD2 3.36Å; Y700-F709 PolarHBondContact O-N 2.89Å; Y700-W712 HydrophobicContact CD1-CB 4.37Å; Y700-W712 AromaticContact CD1-CD1 3.87Å; Y700-W712 HydrophobicContact CD2-CB 4.03Å; Y700-W712 VanDerWaalsContact CD2-N 3.26Å; Y700-W712 HydrophobicContact CE1-CB 4.05Å; Y700-W712 AromaticContact CE1-CD1 3.66Å; Y700-W712 HydrophobicContact CE1-CG 4.24Å; Y700-W712 HydrophobicContact CE2-CB 3.67Å; Y700-W712 HydrophobicContact CG-CB 4.36Å
701	Q	58.4	Low	67.7	Low	113 Å²	113	86.7 Å²	86.7	53%	0.528	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129	175.9	-160.2	172.8	10.6	0	0	111	K703 G706 K707 K708	Q701-K703 PolarHBondContact O-N 2.94Å; Q701-G706 WeakPolarHBondContact CG-O 3.25Å; Q701-G706 PolarHBondContact NE2-O 2.77Å; Q701-K707 WeakPolarHBondContact CA-O 3.44Å; Q701-K708 HydrophobicContact CB-CG 4.42Å; Q701-K708 HydrophobicContact CG-CG 4.03Å
702	C	60.1	Low	66.6	Low	3 Å²	3	89.3 Å²	89.3	2%	0.02	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-70.9	125.4	173.6	-179.6	0	0	0	0	110.1	K704 G706 K707 F709 H718	C702-K704 VanDerWaalsContact C-N 3.31Å; C702-K704 PolarHBondContact O-N 2.88Å; C702-G706 WeakPolarHBondContact O-CA 3.23Å; C702-G706 PolarHBondContact O-N 3.3Å; C702-K707 PolarHBondContact N-O 3.36Å; C702-F709 HydrophobicContact CB-CE2 3.9Å; C702-H718 PolarHBondContact SG-NE2 3.14Å; C702-H718 VanDerWaalsContact SG-NE2 3.4Å
703	K	58.3	Low	65.5	Low	208 Å²	208	87.1 Å²	87.1	90%	0.904	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-18	-178.3	-68.8	-167.7	175.1	-169.4	0	114.4	Q701	Q701-K703 PolarHBondContact O-N 2.94Å
704	K	61.7	Low	64.8	Low	120 Å²	120	87.2 Å²	87.2	52%	0.522	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-45.9	175	-77.2	-175	168.4	-178.6	0	112.5	C702 E722	C702-K704 VanDerWaalsContact C-N 3.31Å; C702-K704 PolarHBondContact O-N 2.88Å; K704-E722 HydrophobicContact CD-CB 4.39Å; K704-E722 PolarHBondContact NZ-O 2.89Å; K704-E722 PolarHBondContact NZ-OXT 2.94Å
705	C	74.8	Confident	64.2	Low	49 Å²	49	86 Å²	86	33%	0.331	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	5.9	-163.8	69.1	0	0	0	0	114.8	K707 H718	C705-K707 PolarHBondContact O-N 3.37Å; C705-K707 VanDerWaalsContact SG-CD 3.55Å; C705-K707 VanDerWaalsContact SG-CG 3.59Å; C705-H718 VanDerWaalsContact SG-CE1 3.6Å; C705-H718 PolarHBondContact SG-NE2 3.3Å
706	G	67.4	Low	63.3	Low	36 Å²	36	84.5 Å²	84.5	37%	0.371	42%	0.417	S	S	.	.			trans	71.4	-7.2	176.2	0	0	0	0	0	116.6	Q701 C702 K708	Q701-G706 WeakPolarHBondContact CG-O 3.25Å; Q701-G706 PolarHBondContact NE2-O 2.77Å; C702-G706 WeakPolarHBondContact O-CA 3.23Å; C702-G706 PolarHBondContact O-N 3.3Å; G706-K708 PolarHBondContact O-N 3.39Å
707	K	72	Confident	63	Low	107 Å²	107	88.5 Å²	88.5	47%	0.465	43%	0.431	S	S	.	.			trans	-60.2	132.9	-179.8	-64.9	169.4	-166.1	159.3	0	111.1	Q701 C702 C705 F709 E722	Q701-K707 WeakPolarHBondContact CA-O 3.44Å; C702-K707 PolarHBondContact N-O 3.36Å; C705-K707 PolarHBondContact O-N 3.37Å; C705-K707 VanDerWaalsContact SG-CD 3.55Å; C705-K707 VanDerWaalsContact SG-CG 3.59Å; K707-F709 HydrophobicContact CB-CE2 3.61Å; K707-F709 HydrophobicContact CB-CZ 3.83Å; K707-F709 WeakPolarHBondContact O-CD2 3.43Å; K707-F709 VanDerWaalsContact O-CE2 3.31Å; K707-F709 WeakPolarHBondContact O-CE2 3.22Å; K707-E722 IonicContact NZ-OE1 3.09Å; K707-E722 PolarHBondContact NZ-OE1 2.92Å; K707-E722 VanDerWaalsContact NZ-OE1 3.1Å
708	K	65.3	Low	63.3	Low	144 Å²	144	87 Å²	87	63%	0.626	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	131.2	179.6	-66.5	176.6	-178.5	173.2	0	110.7	M699 Q701 G706	M699-K708 HydrophobicContact CB-CB 4.33Å; M699-K708 HydrophobicContact SD-CB 3.95Å; Q701-K708 HydrophobicContact CB-CG 4.42Å; Q701-K708 HydrophobicContact CG-CG 4.03Å; G706-K708 PolarHBondContact O-N 3.39Å
709	F	65.7	Low	62.9	Low	40 Å²	40	87.5 Å²	87.5	18%	0.175	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.6	-174.9	-65.3	-89	0	0	0	112	M699 Y700 C702 K707 S711 A714 H718	M699-F709 CarbonylContact C-O 3.57Å; M699-F709 VanDerWaalsContact CA-O 3.27Å; M699-F709 WeakPolarHBondContact CA-O 3.41Å; Y700-F709 PolarHBondContact N-O 3.5Å; Y700-F709 WeakPolarHBondContact O-CD2 3.36Å; Y700-F709 PolarHBondContact O-N 2.89Å; C702-F709 HydrophobicContact CB-CE2 3.9Å; K707-F709 HydrophobicContact CB-CE2 3.61Å; K707-F709 HydrophobicContact CB-CZ 3.83Å; K707-F709 WeakPolarHBondContact O-CD2 3.43Å; K707-F709 VanDerWaalsContact O-CE2 3.31Å; K707-F709 WeakPolarHBondContact O-CE2 3.22Å; F709-S711 PolarHBondContact O-N 3.48Å; F709-S711 VanDerWaalsContact O-N 3.15Å; F709-A714 HydrophobicContact CB-CB 4.22Å; F709-A714 HydrophobicContact CD1-CB 3.85Å; F709-A714 HydrophobicContact CG-CB 4.4Å; F709-H718 HydrophobicContact CE1-CB 3.99Å; F709-H718 HydrophobicContact CE2-CB 4.44Å; F709-H718 AromaticContact CE2-CD2 3.36Å; F709-H718 WeakPolarHBondContact CE2-CD2 3.41Å; F709-H718 AromaticContact CE2-NE2 3.91Å; F709-H718 HydrophobicContact CZ-CB 3.74Å; F709-H718 AromaticContact CZ-CD2 3.2Å; F709-H718 WeakPolarHBondContact CZ-CD2 3.38Å; F709-H718 AromaticContact CZ-CG 3.41Å; F709-H718 VanDerWaalsContact CZ-CG 3.41Å; F709-H718 AromaticContact CZ-NE2 3.77Å
710	K	54.8	Low	62.7	Low	177 Å²	177	86.7 Å²	86.7	77%	0.77	43%	0.425	S	S	*	.	S	Bend	trans	-70.6	-1.2	178.6	-63.5	-176.4	179.6	-178.9	0	114.4	M699	M699-K710 HydrophobicContact CE-CG 4.28Å
711	S	57.3	Low	62.4	Low	33 Å²	33	89 Å²	89	23%	0.231	45%	0.447	C	S	.	.	S	Bend	trans	-155.8	156.4	172.8	73.8	0	0	0	0	111.9	F709 S713 A714 S715	F709-S711 PolarHBondContact O-N 3.48Å; F709-S711 VanDerWaalsContact O-N 3.15Å; S711-S713 VanDerWaalsContact C-N 3.29Å; S711-S713 PolarHBondContact O-N 2.79Å; S711-S713 PolarHBondContact OG-OG 3.32Å; S711-A714 PolarHBondContact O-N 3.37Å; S711-A714 WeakPolarHBondContact OG-CB 3.31Å; S711-A714 PolarHBondContact OG-N 2.78Å; S711-A714 VanDerWaalsContact OG-N 3.14Å; S711-S715 PolarHBondContact O-N 3.37Å
712	W	59.6	Low	62	Low	139 Å²	139	88.6 Å²	88.6	53%	0.527	45%	0.445	S	S	.	.	H	α-helix	trans	-59.5	-40.4	172.4	-178.5	76.7	0	0	0	112	Y700 A714 S715 H716	Y700-W712 HydrophobicContact CD1-CB 4.37Å; Y700-W712 AromaticContact CD1-CD1 3.87Å; Y700-W712 HydrophobicContact CD2-CB 4.03Å; Y700-W712 VanDerWaalsContact CD2-N 3.26Å; Y700-W712 HydrophobicContact CE1-CB 4.05Å; Y700-W712 AromaticContact CE1-CD1 3.66Å; Y700-W712 HydrophobicContact CE1-CG 4.24Å; Y700-W712 HydrophobicContact CE2-CB 3.67Å; Y700-W712 HydrophobicContact CG-CB 4.36Å; W712-A714 VanDerWaalsContact C-N 3.33Å; W712-A714 PolarHBondContact O-N 2.98Å; W712-S715 PolarHBondContact O-N 2.86Å; W712-H716 HydrophobicContact CD2-CB 4.37Å; W712-H716 HydrophobicContact CH2-CB 4.27Å; W712-H716 AromaticContact CH2-CD2 3.43Å; W712-H716 VanDerWaalsContact CH2-CD2 3.43Å; W712-H716 WeakPolarHBondContact CH2-CD2 3.41Å; W712-H716 AromaticContact CH2-CG 3.91Å; W712-H716 HydrophobicContact CZ2-CB 4.09Å; W712-H716 AromaticContact CZ2-CD2 3.82Å; W712-H716 AromaticContact CZ2-CG 3.85Å; W712-H716 HydrophobicContact CZ3-CB 4.49Å; W712-H716 WeakPolarHBondContact O-CB 3.21Å; W712-H716 PolarHBondContact O-N 3.26Å
713	S	57.4	Low	62.1	Low	72 Å²	72	92.9 Å²	92.9	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-65.9	-32	-178.1	51.1	0	0	0	0	113.3	S711 K717	S711-S713 VanDerWaalsContact C-N 3.29Å; S711-S713 PolarHBondContact O-N 2.79Å; S711-S713 PolarHBondContact OG-OG 3.32Å; S713-K717 WeakPolarHBondContact O-CB 3.38Å; S713-K717 WeakPolarHBondContact O-CG 3.18Å; S713-K717 PolarHBondContact O-N 3.19Å; S713-K717 VanDerWaalsContact O-N 3.13Å
714	A	64.3	Low	62.3	Low	38 Å²	38	86.8 Å²	86.8	31%	0.314	44%	0.443	S	S	.	.	H	α-helix	trans	-72.6	-44.7	172.9	0	0	0	0	0	111.6	F709 S711 W712 H716 H718	F709-A714 HydrophobicContact CB-CB 4.22Å; F709-A714 HydrophobicContact CD1-CB 3.85Å; F709-A714 HydrophobicContact CG-CB 4.4Å; S711-A714 PolarHBondContact O-N 3.37Å; S711-A714 WeakPolarHBondContact OG-CB 3.31Å; S711-A714 PolarHBondContact OG-N 2.78Å; S711-A714 VanDerWaalsContact OG-N 3.14Å; W712-A714 VanDerWaalsContact C-N 3.33Å; W712-A714 PolarHBondContact O-N 2.98Å; A714-H716 PolarHBondContact O-N 3.04Å; A714-H718 WeakPolarHBondContact O-CB 3.34Å; A714-H718 PolarHBondContact O-N 2.89Å; A714-H718 VanDerWaalsContact O-N 3.12Å
715	S	65	Low	62.4	Low	15 Å²	15	84.9 Å²	84.9	11%	0.105	44%	0.439	C	S	.	.	H	α-helix	trans	-60.9	-43.4	175.8	-171.9	0	0	0	0	112.3	S711 W712 H718 H719	S711-S715 PolarHBondContact O-N 3.37Å; W712-S715 PolarHBondContact O-N 2.86Å; S715-H718 PolarHBondContact O-N 2.71Å; S715-H719 PolarHBondContact O-N 3.21Å
716	H	60.2	Low	61.6	Low	91 Å²	91	87.1 Å²	87.1	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-70.5	-42.1	-179.2	-173.2	42.2	0	0	0	112.7	W712 A714 H718 H719 C720	W712-H716 HydrophobicContact CD2-CB 4.37Å; W712-H716 HydrophobicContact CH2-CB 4.27Å; W712-H716 AromaticContact CH2-CD2 3.43Å; W712-H716 VanDerWaalsContact CH2-CD2 3.43Å; W712-H716 WeakPolarHBondContact CH2-CD2 3.41Å; W712-H716 AromaticContact CH2-CG 3.91Å; W712-H716 HydrophobicContact CZ2-CB 4.09Å; W712-H716 AromaticContact CZ2-CD2 3.82Å; W712-H716 AromaticContact CZ2-CG 3.85Å; W712-H716 HydrophobicContact CZ3-CB 4.49Å; W712-H716 WeakPolarHBondContact O-CB 3.21Å; W712-H716 PolarHBondContact O-N 3.26Å; A714-H716 PolarHBondContact O-N 3.04Å; H716-H718 VanDerWaalsContact C-N 3.31Å; H716-H718 PolarHBondContact O-N 3.22Å; H716-H719 PolarHBondContact O-N 2.57Å; H716-C720 PolarHBondContact O-N 3.46Å; H716-C720 VanDerWaalsContact O-N 3.15Å
717	K	67	Low	61.3	Low	163 Å²	163	90.3 Å²	90.3	71%	0.709	45%	0.45	S	S	*	.	H	α-helix	trans	-56	-47.7	172.1	-85.8	-172.3	172.6	-169.7	0	111.4	S713 H719 C720 T721	S713-K717 WeakPolarHBondContact O-CB 3.38Å; S713-K717 WeakPolarHBondContact O-CG 3.18Å; S713-K717 PolarHBondContact O-N 3.19Å; S713-K717 VanDerWaalsContact O-N 3.13Å; K717-H719 VanDerWaalsContact C-N 3.33Å; K717-H719 PolarHBondContact O-N 2.81Å; K717-C720 CarbonylContact O-C 3.53Å; K717-C720 WeakPolarHBondContact O-CA 3.31Å; K717-C720 PolarHBondContact O-N 3.37Å; K717-T721 PolarHBondContact O-N 2.84Å
718	H	71.1	Confident	60.6	Low	23 Å²	23	89.1 Å²	89.1	11%	0.106	45%	0.449	C	S	.	.	H	α-helix	trans	-60.6	-39.7	178.8	161.8	65.2	0	0	0	112.8	C702 C705 F709 A714 S715 H716 C720 T721 E722	C702-H718 PolarHBondContact SG-NE2 3.14Å; C702-H718 VanDerWaalsContact SG-NE2 3.4Å; C705-H718 VanDerWaalsContact SG-CE1 3.6Å; C705-H718 PolarHBondContact SG-NE2 3.3Å; F709-H718 HydrophobicContact CE1-CB 3.99Å; F709-H718 HydrophobicContact CE2-CB 4.44Å; F709-H718 AromaticContact CE2-CD2 3.36Å; F709-H718 WeakPolarHBondContact CE2-CD2 3.41Å; F709-H718 AromaticContact CE2-NE2 3.91Å; F709-H718 HydrophobicContact CZ-CB 3.74Å; F709-H718 AromaticContact CZ-CD2 3.2Å; F709-H718 WeakPolarHBondContact CZ-CD2 3.38Å; F709-H718 AromaticContact CZ-CG 3.41Å; F709-H718 VanDerWaalsContact CZ-CG 3.41Å; F709-H718 AromaticContact CZ-NE2 3.77Å; A714-H718 WeakPolarHBondContact O-CB 3.34Å; A714-H718 PolarHBondContact O-N 2.89Å; A714-H718 VanDerWaalsContact O-N 3.12Å; S715-H718 PolarHBondContact O-N 2.71Å; H716-H718 VanDerWaalsContact C-N 3.31Å; H716-H718 PolarHBondContact O-N 3.22Å; H718-C720 PolarHBondContact O-N 3.05Å; H718-T721 WeakPolarHBondContact CA-OG1 3.48Å; H718-T721 PolarHBondContact O-N 3.34Å; H718-T721 VanDerWaalsContact O-N 3.1Å; H718-T721 PolarHBondContact O-OG1 3.28Å; H718-E722 IonicContact CE1-OE1 3.76Å; H718-E722 PolarHBondContact CE1-OE1 3.28Å; H718-E722 IonicContact CE1-OE2 2.7Å; H718-E722 PolarHBondContact CE1-OE2 2.96Å; H718-E722 IonicContact ND1-OE1 3.34Å; H718-E722 IonicContact NE2-OE2 3.96Å; H718-E722 PolarHBondContact O-N 2.87Å; H718-E722 VanDerWaalsContact O-N 3.16Å
719	H	57.8	Low	60.2	Low	85 Å²	85	85.2 Å²	85.2	39%	0.394	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-1.9	174	-157.6	-42.3	0	0	0	113.7	S715 H716 K717	S715-H719 PolarHBondContact O-N 3.21Å; H716-H719 PolarHBondContact O-N 2.57Å; K717-H719 VanDerWaalsContact C-N 3.33Å; K717-H719 PolarHBondContact O-N 2.81Å
720	C	55.7	Low	59.8	Low	95 Å²	95	88.7 Å²	88.7	64%	0.642	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-2.2	167.5	-69.1	0	0	0	0	112.8	H716 K717 H718	H716-C720 PolarHBondContact O-N 3.46Å; H716-C720 VanDerWaalsContact O-N 3.15Å; K717-C720 CarbonylContact O-C 3.53Å; K717-C720 WeakPolarHBondContact O-CA 3.31Å; K717-C720 PolarHBondContact O-N 3.37Å; H718-C720 PolarHBondContact O-N 3.05Å
721	T	56.4	Low	60.2	Low	117 Å²	117	81.3 Å²	81.3	72%	0.718	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-10.2	172.8	53.2	0	0	0	0	113.5	K717 H718	K717-T721 PolarHBondContact O-N 2.84Å; H718-T721 WeakPolarHBondContact CA-OG1 3.48Å; H718-T721 PolarHBondContact O-N 3.34Å; H718-T721 VanDerWaalsContact O-N 3.1Å; H718-T721 PolarHBondContact O-OG1 3.28Å
722	E	51	Low	60.5	Low	105 Å²	105	85.7 Å²	85.7	49%	0.491	45%	0.448	S	S	.	.			trans	-123.1	0	170.9	-73.5	-178.1	-171.9	0	0	110.2	K704 K707 H718	K704-E722 HydrophobicContact CD-CB 4.39Å; K704-E722 PolarHBondContact NZ-O 2.89Å; K704-E722 PolarHBondContact NZ-OXT 2.94Å; K707-E722 IonicContact NZ-OE1 3.09Å; K707-E722 PolarHBondContact NZ-OE1 2.92Å; K707-E722 VanDerWaalsContact NZ-OE1 3.1Å; H718-E722 IonicContact CE1-OE1 3.76Å; H718-E722 PolarHBondContact CE1-OE1 3.28Å; H718-E722 IonicContact CE1-OE2 2.7Å; H718-E722 PolarHBondContact CE1-OE2 2.96Å; H718-E722 IonicContact ND1-OE1 3.34Å; H718-E722 IonicContact NE2-OE2 3.96Å; H718-E722 PolarHBondContact O-N 2.87Å; H718-E722 VanDerWaalsContact O-N 3.16Å

Retrieved 722 of 722 residues in 222.8 ms (Link to these results)

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