A0A3Q0KP35_SCHMA Loading...

ADAMTS14 peptidase (M12 family)

AlphaFold DB , UniProt , Accession A0A3Q0KP35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 661 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	41.6	Very low	51.3	Low	203 Å²	203	141.2 Å²	141.2	100%	1	68%	0.684	S	S	*	*				0	-46.8	0	-151.9	164.9	173	0	0	111.7	M3 K4 L5	M1-M3 PolarHBondContact O-N 3.02Å; M1-K4 PolarHBondContact O-N 2.86Å; M1-K4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 2.85Å
2	I	51.2	Low	51.2	Low	134 Å²	134	138.7 Å²	138.7	69%	0.687	68%	0.684	S	S	*	*	H	α-helix	trans	-58	-41.2	175.7	-64.6	168.7	0	0	0	113.3	K4 L5 L6	I2-K4 VanDerWaalsContact C-N 3.3Å; I2-K4 PolarHBondContact O-N 3.1Å; I2-L5 PolarHBondContact O-N 3.18Å; I2-L6 HydrophobicContact CG2-CD1 4.02Å; I2-L6 PolarHBondContact O-N 3.09Å
3	M	49.6	Very low	51	Low	161 Å²	161	137.8 Å²	137.8	79%	0.793	68%	0.683	S	S	*	*	H	α-helix	trans	-63.9	-27.9	175.4	-77.1	-174.9	80.3	0	0	114.6	M1 R7	M1-M3 PolarHBondContact O-N 3.02Å; M3-R7 PolarHBondContact O-N 3.15Å
4	K	49.3	Very low	50.5	Low	181 Å²	181	138.3 Å²	138.3	79%	0.787	69%	0.689	S	S	*	*	H	α-helix	trans	-77.2	-31.8	175.3	-86.1	-175.2	173.8	-179.1	0	111.7	M1 I2 S8	M1-K4 PolarHBondContact O-N 2.86Å; M1-K4 VanDerWaalsContact O-N 3.12Å; I2-K4 VanDerWaalsContact C-N 3.3Å; I2-K4 PolarHBondContact O-N 3.1Å; K4-S8 PolarHBondContact O-N 3.22Å
5	L	56	Low	50.2	Low	108 Å²	108	138.1 Å²	138.1	57%	0.565	69%	0.692	S	S	*	*	H	α-helix	trans	-69.8	-39.6	172	-96.8	121.5	0	0	0	112.1	M1 I2 R7 S8 I9	M1-L5 PolarHBondContact O-N 2.85Å; I2-L5 PolarHBondContact O-N 3.18Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 2.83Å; L5-S8 PolarHBondContact O-N 3.03Å; L5-I9 WeakPolarHBondContact O-CG1 3.3Å; L5-I9 PolarHBondContact O-N 2.62Å
6	L	57	Low	50.1	Low	94 Å²	94	139.4 Å²	139.4	49%	0.492	70%	0.699	S	S	.	*	H	α-helix	trans	-64.9	-35.1	177.4	-74.4	165.7	0	0	0	112.9	I2 S8 I9 F10	I2-L6 HydrophobicContact CG2-CD1 4.02Å; I2-L6 PolarHBondContact O-N 3.09Å; L6-S8 VanDerWaalsContact C-N 3.35Å; L6-S8 PolarHBondContact O-N 2.73Å; L6-I9 PolarHBondContact O-N 2.94Å; L6-F10 PolarHBondContact O-N 3.02Å
7	R	53.4	Low	49.7	Very low	204 Å²	204	138.3 Å²	138.3	77%	0.77	70%	0.695	S	S	*	*	H	α-helix	trans	-67.7	-30.7	174	-105.1	-177.1	176.5	-175.9	-0.3	113.7	M3 L5	M3-R7 PolarHBondContact O-N 3.15Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 2.83Å
8	S	50.8	Low	49.5	Very low	83 Å²	83	136.1 Å²	136.1	58%	0.58	69%	0.691	S	S	*	*	H	α-helix	trans	-78.4	-29	179.1	-154.6	0	0	0	0	112.5	K4 L5 L6 T12	K4-S8 PolarHBondContact O-N 3.22Å; L5-S8 PolarHBondContact O-N 3.03Å; L6-S8 VanDerWaalsContact C-N 3.35Å; L6-S8 PolarHBondContact O-N 2.73Å; S8-T12 PolarHBondContact O-OG1 2.73Å
9	I	55.8	Low	49.4	Very low	86 Å²	86	136.5 Å²	136.5	44%	0.441	69%	0.694	S	S	.	*	H	α-helix	trans	-74.7	-33.9	177.7	-66	167.8	0	0	0	111.1	L5 L6 I11 T12 L13	L5-I9 WeakPolarHBondContact O-CG1 3.3Å; L5-I9 PolarHBondContact O-N 2.62Å; L6-I9 PolarHBondContact O-N 2.94Å; I9-I11 VanDerWaalsContact C-N 3.29Å; I9-I11 PolarHBondContact O-N 3.08Å; I9-T12 PolarHBondContact O-N 2.66Å; I9-T12 PolarHBondContact O-OG1 3.36Å; I9-L13 HydrophobicContact CG2-CD1 3.94Å
10	F	48.2	Very low	49.2	Very low	163 Å²	163	136.8 Å²	136.8	72%	0.715	70%	0.697	S	S	*	*	H	α-helix	trans	-70	-19.6	177.8	-102.4	-86.6	0	0	0	114.6	L6	L6-F10 PolarHBondContact O-N 3.02Å
11	I	51.2	Low	49.1	Very low	136 Å²	136	136 Å²	136	70%	0.697	69%	0.694	S	S	*	*	H	α-helix	trans	-87.4	-22.3	-179.7	-65.1	172.8	0	0	0	111.8	I9	I9-I11 VanDerWaalsContact C-N 3.29Å; I9-I11 PolarHBondContact O-N 3.08Å
12	T	50.5	Low	49.3	Very low	111 Å²	111	131.3 Å²	131.3	68%	0.681	67%	0.672	S	S	*	*	H	α-helix	trans	-92.5	-8.6	-176.6	38.8	0	0	0	0	115.4	S8 I9	S8-T12 PolarHBondContact O-OG1 2.73Å; I9-T12 PolarHBondContact O-N 2.66Å; I9-T12 PolarHBondContact O-OG1 3.36Å
13	L	48.8	Very low	49	Very low	127 Å²	127	133.8 Å²	133.8	67%	0.665	68%	0.675	S	S	*	*			trans	-99.8	7	-174.7	-76.9	162.5	0	0	0	114.9	I9 N15	I9-L13 HydrophobicContact CG2-CD1 3.94Å; L13-N15 PolarHBondContact O-N 2.97Å; L13-N15 VanDerWaalsContact O-N 3.09Å
14	N	43.5	Very low	48.8	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	67%	0.67	S	S	*	*	S	Bend	trans	-75.4	10.2	-178.1	-96	-13.2	0	0	0	115.7
15	N	46.7	Very low	48.7	Very low	136 Å²	136	131.6 Å²	131.6	73%	0.727	67%	0.665	S	S	*	*	S	Bend	trans	-129.8	128.1	172.6	-77.6	-40	0	0	0	108.7	L13	L13-N15 PolarHBondContact O-N 2.97Å; L13-N15 VanDerWaalsContact O-N 3.09Å
16	I	48.4	Very low	48.5	Very low	158 Å²	158	131 Å²	131	81%	0.81	66%	0.662	S	S	*	*	S	Bend	trans	81.3	94.2	174.1	-41.9	157.1	0	0	0	112.5
17	I	43.1	Very low	48.2	Very low	121 Å²	121	130 Å²	130	62%	0.621	66%	0.66	S	S	*	*	S	Bend	trans	155.8	127.3	141.5	-76.8	151.8	0	0	0	107.7	I19 L22	I17-I19 PolarHBondContact O-N 3.49Å; I17-L22 HydrophobicContact CG2-CD1 4.46Å
18	P	45.9	Very low	48.1	Very low	98 Å²	98	124.2 Å²	124.2	64%	0.636	65%	0.647	S	S	*	*			trans	-61.1	133.7	-179	23.2	-32.6	0	0	0	112.4	N20 L21	P18-N20 PolarHBondContact O-N 3.23Å; P18-L21 PolarHBondContact O-N 3.32Å
19	I	47.4	Very low	48.2	Very low	145 Å²	145	125.2 Å²	125.2	74%	0.744	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-16.4	-171.2	-69.6	164.3	0	0	0	114.5	I17 L21	I17-I19 PolarHBondContact O-N 3.49Å; I19-L21 PolarHBondContact O-N 2.73Å
20	N	44.9	Very low	48.1	Very low	142 Å²	142	127 Å²	127	76%	0.759	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-14.7	-177.8	-80	-13	0	0	0	115.5	P18	P18-N20 PolarHBondContact O-N 3.23Å
21	L	48.2	Very low	48.3	Very low	121 Å²	121	123 Å²	123	63%	0.634	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-17.8	176.8	-95.3	93.9	0	0	0	114.6	P18 I19	P18-L21 PolarHBondContact O-N 3.32Å; I19-L21 PolarHBondContact O-N 2.73Å
22	L	45.6	Very low	48.2	Very low	103 Å²	103	121.6 Å²	121.6	54%	0.539	64%	0.637	S	S	.	*	H	α-helix	trans	-76.1	-26.9	178.6	-103.9	98.3	0	0	0	113.2	I17 Q24 L26	I17-L22 HydrophobicContact CG2-CD1 4.46Å; L22-Q24 PolarHBondContact O-N 3.09Å; L22-L26 HydrophobicContact CD2-CD1 4.22Å; L22-L26 PolarHBondContact O-N 3.32Å
23	Y	43.9	Very low	48.2	Very low	187 Å²	187	120.6 Å²	120.6	73%	0.733	63%	0.63	S	S	*	*	H	α-helix	trans	-72.6	-27.9	-175.7	-131.6	-94.4	0	0	0	113.5	T27	Y23-T27 WeakPolarHBondContact O-CG2 3.47Å; Y23-T27 PolarHBondContact O-OG1 2.82Å
24	Q	45.6	Very low	48.2	Very low	149 Å²	149	118.5 Å²	118.5	70%	0.696	62%	0.623	S	S	*	*	H	α-helix	trans	-81.5	-26.2	178.1	-98.4	177.5	-23.9	0	0	113.9	L22 T27 T28	L22-Q24 PolarHBondContact O-N 3.09Å; Q24-T27 PolarHBondContact O-OG1 3.47Å; Q24-T28 PolarHBondContact O-OG1 3.13Å
25	Q	48.6	Very low	48.3	Very low	146 Å²	146	116.7 Å²	116.7	68%	0.682	61%	0.612	S	S	*	*	H	α-helix	trans	-87.8	-26.5	176.6	-70.3	-159.7	-22.9	0	0	113.3	T28 I29	Q25-T28 PolarHBondContact O-OG1 2.98Å; Q25-I29 WeakPolarHBondContact O-CG1 3.37Å; Q25-I29 PolarHBondContact O-N 2.94Å
26	L	50.4	Low	48.2	Very low	96 Å²	96	116.6 Å²	116.6	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-74.9	-31.1	175.8	-83.7	157.3	0	0	0	113.2	L22 L30	L22-L26 HydrophobicContact CD2-CD1 4.22Å; L22-L26 PolarHBondContact O-N 3.32Å; L26-L30 PolarHBondContact O-N 3.47Å
27	T	50.9	Low	47.7	Very low	73 Å²	73	118.5 Å²	118.5	45%	0.448	61%	0.609	S	S	.	*	H	α-helix	trans	-73.2	-31.9	177.4	43.3	0	0	0	0	112.9	Y23 Q24 V31	Y23-T27 WeakPolarHBondContact O-CG2 3.47Å; Y23-T27 PolarHBondContact O-OG1 2.82Å; Q24-T27 PolarHBondContact O-OG1 3.47Å; T27-V31 VanDerWaalsContact O-CG2 3.25Å; T27-V31 WeakPolarHBondContact O-CG2 3.07Å; T27-V31 PolarHBondContact O-N 3.36Å
28	T	51.5	Low	47.6	Very low	82 Å²	82	119.4 Å²	119.4	50%	0.503	61%	0.614	S	S	.	*	H	α-helix	trans	-73.4	-33.1	175.1	23.9	0	0	0	0	112.7	Q24 Q25 L32	Q24-T28 PolarHBondContact O-OG1 3.13Å; Q25-T28 PolarHBondContact O-OG1 2.98Å; T28-L32 PolarHBondContact O-N 3Å
29	I	54	Low	47.1	Very low	104 Å²	104	121.6 Å²	121.6	53%	0.533	62%	0.621	S	S	.	*	H	α-helix	trans	-74.4	-37.6	177.2	-65.1	170.6	0	0	0	111.4	Q25 V31 L32 V33	Q25-I29 WeakPolarHBondContact O-CG1 3.37Å; Q25-I29 PolarHBondContact O-N 2.94Å; I29-V31 VanDerWaalsContact C-N 3.34Å; I29-V31 PolarHBondContact O-N 2.92Å; I29-L32 PolarHBondContact O-N 3.21Å; I29-V33 VanDerWaalsContact O-CG2 3.3Å; I29-V33 WeakPolarHBondContact O-CG2 3.28Å; I29-V33 PolarHBondContact O-N 3.09Å; I29-V33 VanDerWaalsContact O-N 3.11Å
30	L	51.9	Low	46.4	Very low	123 Å²	123	120.9 Å²	120.9	64%	0.644	62%	0.618	S	S	*	*	H	α-helix	trans	-67	-34.2	175.8	-110.4	97.6	0	0	0	113	L26 V33 T34	L26-L30 PolarHBondContact O-N 3.47Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-T34 PolarHBondContact O-N 2.86Å; L30-T34 VanDerWaalsContact O-N 3.17Å; L30-T34 PolarHBondContact O-OG1 3.44Å
31	V	52.5	Low	45.9	Very low	81 Å²	81	119.9 Å²	119.9	49%	0.491	62%	0.622	S	S	.	*	H	α-helix	trans	-72.2	-34.4	177.5	173	0	0	0	0	111.7	T27 I29 T34 I35	T27-V31 VanDerWaalsContact O-CG2 3.25Å; T27-V31 WeakPolarHBondContact O-CG2 3.07Å; T27-V31 PolarHBondContact O-N 3.36Å; I29-V31 VanDerWaalsContact C-N 3.34Å; I29-V31 PolarHBondContact O-N 2.92Å; V31-T34 PolarHBondContact O-OG1 3.09Å; V31-I35 HydrophobicContact CG1-CD1 3.7Å; V31-I35 WeakPolarHBondContact O-CB 3.48Å; V31-I35 WeakPolarHBondContact O-CD1 3.24Å; V31-I35 WeakPolarHBondContact O-CG1 3.25Å; V31-I35 PolarHBondContact O-N 3.35Å; V31-I35 VanDerWaalsContact O-N 3.14Å
32	L	49.8	Very low	45.2	Very low	106 Å²	106	120.6 Å²	120.6	56%	0.555	63%	0.627	S	S	*	*	H	α-helix	trans	-71.5	-31.8	174.4	-80.3	160.8	0	0	0	112.6	T28 I29 L36	T28-L32 PolarHBondContact O-N 3Å; I29-L32 PolarHBondContact O-N 3.21Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 2.94Å; L32-L36 VanDerWaalsContact O-N 3.13Å
33	V	50.4	Low	44.5	Very low	89 Å²	89	123.3 Å²	123.3	54%	0.539	64%	0.637	S	S	.	*	H	α-helix	trans	-75.4	-32.9	178	175.4	0	0	0	0	112	I29 L30 Y37	I29-V33 VanDerWaalsContact O-CG2 3.3Å; I29-V33 WeakPolarHBondContact O-CG2 3.28Å; I29-V33 PolarHBondContact O-N 3.09Å; I29-V33 VanDerWaalsContact O-N 3.11Å; L30-V33 PolarHBondContact O-N 3.45Å; V33-Y37 PolarHBondContact O-N 3.13Å
34	T	48.7	Very low	43.7	Very low	83 Å²	83	121.8 Å²	121.8	51%	0.509	64%	0.64	S	S	.	*	H	α-helix	trans	-74.8	-31.9	172.3	35.6	0	0	0	0	113.2	L30 V31 I38	L30-T34 PolarHBondContact O-N 2.86Å; L30-T34 VanDerWaalsContact O-N 3.17Å; L30-T34 PolarHBondContact O-OG1 3.44Å; V31-T34 PolarHBondContact O-OG1 3.09Å; T34-I38 WeakPolarHBondContact O-CD1 3.23Å; T34-I38 WeakPolarHBondContact O-CG1 3.38Å
35	I	46.8	Very low	42.8	Very low	108 Å²	108	123.1 Å²	123.1	55%	0.554	65%	0.646	S	S	*	*	H	α-helix	trans	-73.2	-28.8	176.4	-67	169.5	0	0	0	111.8	V31	V31-I35 HydrophobicContact CG1-CD1 3.7Å; V31-I35 WeakPolarHBondContact O-CB 3.48Å; V31-I35 WeakPolarHBondContact O-CD1 3.24Å; V31-I35 WeakPolarHBondContact O-CG1 3.25Å; V31-I35 PolarHBondContact O-N 3.35Å; V31-I35 VanDerWaalsContact O-N 3.14Å
36	L	43	Very low	41.8	Very low	133 Å²	133	123 Å²	123	70%	0.696	65%	0.65	S	S	*	*	H	α-helix	trans	-85.2	-20.9	177.3	-72.8	167.6	0	0	0	114.2	L32	L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 2.94Å; L32-L36 VanDerWaalsContact O-N 3.13Å
37	Y	38.1	Very low	40.8	Very low	198 Å²	198	124 Å²	124	78%	0.776	66%	0.664	S	S	*	*	H	α-helix	trans	-84.2	-11.4	179.3	-138.2	-93.3	0	0	0	114.2	V33	V33-Y37 PolarHBondContact O-N 3.13Å
38	I	41.9	Very low	39.6	Very low	140 Å²	140	126.6 Å²	126.6	72%	0.718	68%	0.68	S	S	*	*	S	Bend	trans	-88.7	-9.5	-178.5	-65.3	171	0	0	0	112.5	T34	T34-I38 WeakPolarHBondContact O-CD1 3.23Å; T34-I38 WeakPolarHBondContact O-CG1 3.38Å
39	N	35.4	Very low	38.5	Very low	145 Å²	145	129.8 Å²	129.8	78%	0.775	69%	0.694	S	S	*	*	S	Bend	trans	-106.5	21.1	-173.5	-98.7	-8.1	0	0	0	116.1
40	N	31.8	Very low	37.4	Very low	130 Å²	130	132.6 Å²	132.6	70%	0.695	71%	0.711	S	S	*	*			trans	-154.2	85	175.8	-146.3	5.6	0	0	0	113.1
41	S	35.4	Very low	36.6	Very low	120 Å²	120	132.2 Å²	132.2	84%	0.839	71%	0.713	S	S	*	*			trans	-156	102	161.5	-69.3	0	0	0	0	109.2
42	N	33.4	Very low	35.9	Very low	137 Å²	137	136 Å²	136	73%	0.733	73%	0.73	S	S	*	*			trans	-64.6	150.5	176.7	-71.9	-35.5	0	0	0	113.1
43	E	30.3	Very low	35.2	Very low	160 Å²	160	137.3 Å²	137.3	75%	0.748	73%	0.733	S	S	*	*			trans	41.1	106.3	142.6	-64.6	-178.3	164.7	0	0	119
44	L	27.8	Very low	34.3	Very low	155 Å²	155	135.8 Å²	135.8	81%	0.812	74%	0.735	S	S	*	*			trans	-134.7	103.1	141.1	-144	85.9	0	0	0	109.1	L46	L44-L46 HydrophobicContact CD2-CD1 3.82Å; L44-L46 PolarHBondContact O-N 2.74Å
45	H	26.4	Very low	33.5	Very low	176 Å²	176	141.3 Å²	141.3	82%	0.815	75%	0.747	S	S	*	*			trans	-64.9	119.9	166.1	-84.9	-86.1	0	0	0	109.4
46	L	28.5	Very low	32.9	Very low	145 Å²	145	138.9 Å²	138.9	76%	0.759	74%	0.74	S	S	*	*			trans	-131	131.1	155.8	-103.6	110.6	0	0	0	109.5	L44	L44-L46 HydrophobicContact CD2-CD1 3.82Å; L44-L46 PolarHBondContact O-N 2.74Å
47	S	27.5	Very low	32.5	Very low	115 Å²	115	134.6 Å²	134.6	80%	0.804	72%	0.719	S	S	*	*			trans	-55.5	126.5	-171.5	51.7	0	0	0	0	113.4
48	T	27.2	Very low	32.4	Very low	128 Å²	128	131.6 Å²	131.6	79%	0.785	71%	0.707	S	S	*	*			trans	-84.5	102	164.2	49.1	0	0	0	0	109.1
49	D	28.6	Very low	32.1	Very low	149 Å²	149	129.5 Å²	129.5	80%	0.797	69%	0.693	S	S	*	*			trans	-166.4	142.5	152.4	-97.3	-27.6	0	0	0	106.5
50	D	31	Very low	32.2	Very low	164 Å²	164	123.5 Å²	123.5	88%	0.877	66%	0.66	S	S	*	*	S	Bend	trans	92.2	9	173	-66	-20.2	0	0	0	122.6
51	T	34.9	Very low	32.4	Very low	114 Å²	114	120.4 Å²	120.4	70%	0.699	65%	0.648	S	S	*	*			trans	-124.4	3	179.6	59.9	0	0	0	0	118.1
52	L	36.8	Very low	32.5	Very low	160 Å²	160	114.9 Å²	114.9	84%	0.838	61%	0.609	S	S	*	*	S	Bend	trans	-87.9	-18.7	-179.5	-101.7	127.6	0	0	0	115.3
53	E	34.5	Very low	32.7	Very low	135 Å²	135	108.9 Å²	108.9	63%	0.631	58%	0.578	S	S	*	*	S	Bend	trans	-75.9	-32.1	-178.6	-80.2	-163.1	163.6	0	0	113.7	W55 S56 T57 K404	E53-W55 PolarHBondContact O-N 3.25Å; E53-S56 PolarHBondContact O-OG 2.97Å; E53-T57 PolarHBondContact O-OG1 3.13Å; E53-K404 IonicContact OE2-NZ 2.79Å; E53-K404 PolarHBondContact OE2-NZ 2.96Å
54	G	32.6	Very low	33	Very low	56 Å²	56	101.7 Å²	101.7	58%	0.577	55%	0.545	S	S	*	.	H	α-helix	trans	-72.9	-23.8	-176.2	0	0	0	0	0	115.1
55	W	32.5	Very low	33.5	Very low	199 Å²	199	97.9 Å²	97.9	75%	0.754	52%	0.521	S	S	*	.	H	α-helix	trans	-81	-21.4	-179.6	-76.7	89	0	0	0	113.5	E53	E53-W55 PolarHBondContact O-N 3.25Å
56	S	33.1	Very low	34.1	Very low	58 Å²	58	91.1 Å²	91.1	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-79.5	-28.1	-179	73.9	0	0	0	0	113.4	E53	E53-S56 PolarHBondContact O-OG 2.97Å
57	T	35.9	Very low	34.4	Very low	42 Å²	42	84.4 Å²	84.4	26%	0.258	46%	0.458	S	S	.	.	H	α-helix	trans	-80.6	-29.4	-174.4	-32.7	0	0	0	0	112.4	E53 K60 N403	E53-T57 PolarHBondContact O-OG1 3.13Å; T57-K60 WeakPolarHBondContact O-CB 3.18Å; T57-K60 PolarHBondContact O-N 2.93Å; T57-N403 WeakPolarHBondContact CG2-O 3.44Å
58	Y	34.4	Very low	34.9	Very low	135 Å²	135	82.3 Å²	82.3	53%	0.529	44%	0.443	S	S	.	.	H	α-helix	trans	-75.6	-31.6	-179.2	-167.6	-104.6	0	0	0	112.9	K60 I62	Y58-K60 PolarHBondContact O-N 2.88Å; Y58-I62 HydrophobicContact CD1-CD1 4.15Å; Y58-I62 HydrophobicContact CE1-CD1 3.81Å
59	K	35.9	Very low	35.6	Very low	96 Å²	96	81.7 Å²	81.7	42%	0.417	43%	0.431	S	S	.	.	H	α-helix	trans	-57.1	-21.2	171.4	-72.6	-162.5	170.9	-144.6	0	114	Q282	K59-Q282 VanDerWaalsContact CG-CD 3.45Å; K59-Q282 HydrophobicContact CG-CG 4.48Å; K59-Q282 VanDerWaalsContact CG-OE1 3.27Å; K59-Q282 PolarHBondContact O-NE2 3.45Å
60	K	37	Very low	36	Very low	19 Å²	19	77.9 Å²	77.9	8%	0.083	41%	0.409	C	S	.	.	H	α-helix	trans	-92.1	-30.1	-158.1	-140.6	161.2	-176.4	-174.1	0	113.9	T57 Y58 I62 Q64 C397 C405 F407 M413	T57-K60 WeakPolarHBondContact O-CB 3.18Å; T57-K60 PolarHBondContact O-N 2.93Å; Y58-K60 PolarHBondContact O-N 2.88Å; K60-I62 VanDerWaalsContact C-N 3.3Å; K60-Q64 WeakPolarHBondContact O-CG 3.47Å; K60-Q64 PolarHBondContact O-NE2 3.31Å; K60-C397 WeakPolarHBondContact CE-SG 3.49Å; K60-C405 WeakPolarHBondContact CD-SG 3.31Å; K60-C405 WeakPolarHBondContact CE-SG 2.99Å; K60-C405 PolarHBondContact NZ-O 2.78Å; K60-C405 PolarHBondContact NZ-SG 2.86Å; K60-F407 HydrophobicContact CD-CE2 4.44Å; K60-M413 HydrophobicContact CB-CE 4.34Å; K60-M413 HydrophobicContact CB-SD 4.31Å; K60-M413 HydrophobicContact CD-CE 3.49Å; K60-M413 VanDerWaalsContact CD-CE 3.49Å; K60-M413 HydrophobicContact CD-SD 4.2Å; K60-M413 HydrophobicContact CG-CE 3.7Å; K60-M413 HydrophobicContact CG-CG 4.28Å; K60-M413 HydrophobicContact CG-SD 3.72Å
61	S	37	Very low	36.1	Very low	65 Å²	65	75.4 Å²	75.4	46%	0.455	40%	0.396	S	S	.	.	H	α-helix	trans	-80.3	-17.1	177.5	59.7	0	0	0	0	113.1
62	I	38.2	Very low	36.1	Very low	4 Å²	4	75.1 Å²	75.1	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-90.2	-54.3	-162.9	-80.6	-176.6	0	0	0	109.5	Y58 K60 Q64 K65 M285 F287	Y58-I62 HydrophobicContact CD1-CD1 4.15Å; Y58-I62 HydrophobicContact CE1-CD1 3.81Å; K60-I62 VanDerWaalsContact C-N 3.3Å; I62-Q64 PolarHBondContact O-N 3.12Å; I62-K65 PolarHBondContact O-N 3.41Å; I62-K65 VanDerWaalsContact O-N 3.16Å; I62-M285 WeakPolarHBondContact CD1-O 3.47Å; I62-M285 HydrophobicContact CG2-CB 4.37Å; I62-M285 HydrophobicContact CG2-CG 4.42Å; I62-M285 WeakPolarHBondContact CG2-O 3.23Å; I62-M285 HydrophobicContact CG2-SD 4.35Å; I62-F287 VanDerWaalsContact C-CZ 3.47Å; I62-F287 HydrophobicContact CB-CD2 3.22Å; I62-F287 HydrophobicContact CB-CE2 3.52Å; I62-F287 HydrophobicContact CB-CG 4.22Å; I62-F287 HydrophobicContact CD1-CD2 4.39Å; I62-F287 HydrophobicContact CG1-CB 4.32Å; I62-F287 HydrophobicContact CG1-CD2 3.49Å; I62-F287 VanDerWaalsContact CG1-CD2 3.49Å; I62-F287 HydrophobicContact CG1-CE2 4.27Å; I62-F287 HydrophobicContact CG1-CG 4.3Å; I62-F287 HydrophobicContact CG2-CD2 3.19Å; I62-F287 HydrophobicContact CG2-CE2 3.01Å; I62-F287 HydrophobicContact CG2-CG 4.49Å; I62-F287 HydrophobicContact CG2-CZ 4.24Å; I62-F287 WeakPolarHBondContact O-CD1 3.43Å; I62-F287 WeakPolarHBondContact O-CD2 3.36Å; I62-F287 WeakPolarHBondContact O-CE1 3.48Å; I62-F287 WeakPolarHBondContact O-CE2 3.46Å; I62-F287 VanDerWaalsContact O-CG 3.25Å; I62-F287 WeakPolarHBondContact O-CG 3.06Å; I62-F287 WeakPolarHBondContact O-CZ 3.32Å
63	S	36	Very low	36	Very low	11 Å²	11	74.9 Å²	74.9	8%	0.077	39%	0.39	C	S	.	.	H	α-helix	trans	-54.7	-14.6	176.6	-130.7	0	0	0	0	116	N67 T394	S63-N67 PolarHBondContact O-ND2 3.19Å; S63-T394 VanDerWaalsContact CB-CG2 3.49Å; S63-T394 WeakPolarHBondContact OG-CB 3.26Å; S63-T394 PolarHBondContact OG-OG1 2.99Å
64	Q	36.9	Very low	36.1	Very low	9 Å²	9	72.8 Å²	72.8	4%	0.042	40%	0.404	C	S	.	.	H	α-helix	trans	-80.5	-36.2	-177.3	-49.6	-168.9	15.5	0	0	112.8	K60 I62 R396 C397 F398	K60-Q64 WeakPolarHBondContact O-CG 3.47Å; K60-Q64 PolarHBondContact O-NE2 3.31Å; I62-Q64 PolarHBondContact O-N 3.12Å; Q64-R396 HydrophobicContact CB-CB 4.34Å; Q64-R396 HydrophobicContact CB-CG 3.76Å; Q64-R396 HydrophobicContact CG-CB 3.78Å; Q64-R396 HydrophobicContact CG-CG 3.56Å; Q64-R396 VanDerWaalsContact NE2-CA 3.33Å; Q64-R396 PolarHBondContact O-NE 3.39Å; Q64-R396 PolarHBondContact O-NH2 2.99Å; Q64-C397 PolarHBondContact NE2-O 2.91Å; Q64-C397 PolarHBondContact OE1-O 3.48Å; Q64-F398 HydrophobicContact CB-CZ 4.46Å; Q64-F398 VanDerWaalsContact OE1-CE1 3.23Å; Q64-F398 VanDerWaalsContact OE1-CE2 3.31Å
65	K	38.4	Very low	37.1	Very low	75 Å²	75	75.9 Å²	75.9	33%	0.326	40%	0.404	S	S	.	.	H	α-helix	trans	-80.8	-31.3	-176.7	-93.5	169.2	164.9	-179.2	0	112.5	I62 N67 S68 F287	I62-K65 PolarHBondContact O-N 3.41Å; I62-K65 VanDerWaalsContact O-N 3.16Å; K65-N67 VanDerWaalsContact C-N 3.31Å; K65-N67 PolarHBondContact O-N 3.34Å; K65-S68 PolarHBondContact O-N 3.15Å; K65-S68 PolarHBondContact O-OG 3.3Å; K65-F287 HydrophobicContact CB-CB 4.18Å; K65-F287 HydrophobicContact CB-CD1 3.21Å; K65-F287 HydrophobicContact CB-CE1 3.79Å; K65-F287 HydrophobicContact CB-CG 3.98Å; K65-F287 HydrophobicContact CD-CB 3.81Å; K65-F287 HydrophobicContact CD-CD1 4.32Å; K65-F287 WeakPolarHBondContact CD-O 3.28Å; K65-F287 HydrophobicContact CG-CD1 4.4Å; K65-F287 PolarHBondContact NZ-O 2.73Å
66	V	38.4	Very low	38.7	Very low	35 Å²	35	69.1 Å²	69.1	21%	0.212	38%	0.38	C	S	.	.	H	α-helix	trans	-62.6	-39.1	177.5	134.4	0	0	0	0	111.1	S68 Q69 M70 M285 F287	V66-S68 VanDerWaalsContact C-N 3.35Å; V66-S68 PolarHBondContact O-N 2.87Å; V66-Q69 PolarHBondContact O-N 2.71Å; V66-M70 HydrophobicContact CG1-SD 4.29Å; V66-M70 PolarHBondContact O-N 3.21Å; V66-M285 HydrophobicContact CG2-CE 4.1Å; V66-F287 HydrophobicContact CB-CE1 3.53Å; V66-F287 HydrophobicContact CB-CZ 3.53Å; V66-F287 HydrophobicContact CG2-CE1 3.36Å; V66-F287 HydrophobicContact CG2-CZ 3.31Å
67	N	36.2	Very low	40.6	Very low	4 Å²	4	67 Å²	67	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-82	-8.7	-175.2	-74.9	-60.8	0	0	0	114.7	S63 K65 T377 S378 R396	S63-N67 PolarHBondContact O-ND2 3.19Å; K65-N67 VanDerWaalsContact C-N 3.31Å; K65-N67 PolarHBondContact O-N 3.34Å; N67-T377 HydrophobicContact CB-CG2 3.48Å; N67-T377 VanDerWaalsContact CB-CG2 3.48Å; N67-T377 WeakPolarHBondContact ND2-CB 3.29Å; N67-T377 WeakPolarHBondContact ND2-CG2 3.43Å; N67-T377 PolarHBondContact ND2-OG1 3.46Å; N67-T377 VanDerWaalsContact ND2-OG1 3.15Å; N67-S378 PolarHBondContact O-OG 3.39Å; N67-S378 VanDerWaalsContact O-OG 3.12Å; N67-S378 PolarHBondContact OD1-O 3.12Å; N67-R396 VanDerWaalsContact C-NH2 3.34Å
68	S	37.2	Very low	43	Very low	70 Å²	70	66.7 Å²	66.7	49%	0.49	36%	0.359	S	S	.	.	H	α-helix	trans	-82.2	-19.7	170.5	33.5	0	0	0	0	112.9	K65 V66	K65-S68 PolarHBondContact O-N 3.15Å; K65-S68 PolarHBondContact O-OG 3.3Å; V66-S68 VanDerWaalsContact C-N 3.35Å; V66-S68 PolarHBondContact O-N 2.87Å
69	Q	41.6	Very low	45.5	Very low	116 Å²	116	60.6 Å²	60.6	54%	0.542	34%	0.335	S	S	.	.	H	α-helix	trans	-92.4	-23.2	175.3	-80.1	166.9	-46.8	0	0	112.7	V66 N71	V66-Q69 PolarHBondContact O-N 2.71Å; Q69-N71 VanDerWaalsContact C-N 3.26Å; Q69-N71 PolarHBondContact O-N 3.07Å
70	M	38.1	Very low	48.3	Very low	68 Å²	68	56 Å²	56	34%	0.335	32%	0.315	S	S	.	.	S	Bend	trans	-82.6	18.2	179.4	-69.4	-165.8	158.7	0	0	115.6	V66 N72	V66-M70 HydrophobicContact CG1-SD 4.29Å; V66-M70 PolarHBondContact O-N 3.21Å; M70-N72 PolarHBondContact O-N 3Å
71	N	33.2	Very low	50.9	Low	112 Å²	112	55.3 Å²	55.3	60%	0.599	31%	0.312	S	S	*	.			trans	-100.1	37.7	-171	-119.9	11.9	0	0	0	114.3	Q69 S378	Q69-N71 VanDerWaalsContact C-N 3.26Å; Q69-N71 PolarHBondContact O-N 3.07Å; N71-S378 VanDerWaalsContact OD1-CB 3.26Å; N71-S378 WeakPolarHBondContact OD1-CB 3.46Å; N71-S378 PolarHBondContact OD1-OG 2.89Å
72	N	34.7	Very low	53.6	Low	109 Å²	109	52.2 Å²	52.2	58%	0.583	29%	0.291	S	S	*	.	S	Bend	trans	-104.4	107.5	169	-82	-17.3	0	0	0	110.7	M70 G74	M70-N72 PolarHBondContact O-N 3Å; N72-G74 PolarHBondContact O-N 3.01Å; N72-G74 VanDerWaalsContact O-N 3.14Å
73	N	33.5	Very low	56.3	Low	154 Å²	154	52 Å²	52	82%	0.824	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	16.3	79.3	157.4	-68.2	-21.4	0	0	0	118.2	E75	N73-E75 PolarHBondContact O-N 3.05Å
74	G	36.8	Very low	59.2	Low	91 Å²	91	51.5 Å²	51.5	94%	0.938	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	12.2	159	0	0	0	0	0	117.6	N72	N72-G74 PolarHBondContact O-N 3.01Å; N72-G74 VanDerWaalsContact O-N 3.14Å
75	E	53.6	Low	62.1	Low	122 Å²	122	51.1 Å²	51.1	57%	0.57	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-81.7	133	180	-77.2	175.7	174.9	0	0	110.6	N73 N77 N123	N73-E75 PolarHBondContact O-N 3.05Å; E75-N77 PolarHBondContact O-N 2.84Å; E75-N123 WeakPolarHBondContact CB-ND2 3.44Å; E75-N123 PolarHBondContact OE2-ND2 2.84Å
76	Q	65.9	Low	65	Low	56 Å²	56	47.5 Å²	47.5	26%	0.262	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-61.9	127.2	175.2	-178.7	70.2	32	0	0	109.9	Y78 Q275 T385	Q76-Y78 HydrophobicContact CB-CE2 4.4Å; Q76-Y78 HydrophobicContact CG-CE1 4.27Å; Q76-Y78 HydrophobicContact CG-CE2 4.21Å; Q76-Q275 PolarHBondContact NE2-O 3.12Å; Q76-T385 VanDerWaalsContact OE1-CG2 3.28Å
77	N	72.8	Confident	67.7	Low	14 Å²	14	45.9 Å²	45.9	8%	0.075	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-86.4	149.3	167.9	-164.2	47.9	0	0	0	109.7	E75 W79 N123 M124 S125	E75-N77 PolarHBondContact O-N 2.84Å; N77-W79 HydrophobicContact CB-CH2 4.08Å; N77-W79 HydrophobicContact CB-CZ2 3.76Å; N77-W79 VanDerWaalsContact ND2-CE2 3.3Å; N77-W79 PolarHBondContact ND2-NE1 3.49Å; N77-W79 WeakPolarHBondContact O-CH2 3.12Å; N77-W79 WeakPolarHBondContact O-CZ3 3.43Å; N77-N123 CarbonylContact C-O 3.54Å; N77-N123 WeakPolarHBondContact CA-O 3.37Å; N77-N123 HydrophobicContact CB-CB 4.42Å; N77-N123 WeakPolarHBondContact OD1-CB 3.36Å; N77-N123 PolarHBondContact OD1-O 3.05Å; N77-M124 PolarHBondContact OD1-N 3.08Å; N77-S125 PolarHBondContact ND2-OG 3.43Å; N77-S125 PolarHBondContact OD1-OG 2.94Å
78	Y	87.5	Confident	70.5	Confident	35 Å²	35	46.9 Å²	46.9	14%	0.137	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.8	174.7	-61.4	-88.3	0	0	0	109.6	Q76 N123 M124 S125 L266 L274 Q275	Q76-Y78 HydrophobicContact CB-CE2 4.4Å; Q76-Y78 HydrophobicContact CG-CE1 4.27Å; Q76-Y78 HydrophobicContact CG-CE2 4.21Å; Y78-N123 PolarHBondContact N-O 3.34Å; Y78-M124 CarbonylContact O-C 3.54Å; Y78-M124 VanDerWaalsContact O-CA 3.27Å; Y78-M124 WeakPolarHBondContact O-CA 3.35Å; Y78-S125 PolarHBondContact O-N 3.16Å; Y78-L266 HydrophobicContact CD1-CD2 3.59Å; Y78-L266 HydrophobicContact CD2-CD1 4.16Å; Y78-L266 HydrophobicContact CD2-CD2 3.92Å; Y78-L266 HydrophobicContact CE1-CD2 3.38Å; Y78-L266 HydrophobicContact CE1-CG 4.47Å; Y78-L266 HydrophobicContact CE2-CD1 3.74Å; Y78-L266 HydrophobicContact CE2-CD2 3.76Å; Y78-L266 HydrophobicContact CE2-CG 4.28Å; Y78-L266 HydrophobicContact CG-CD2 3.84Å; Y78-L266 VanDerWaalsContact CZ-CD2 3.48Å; Y78-L274 CarbonylContact C-O 3.59Å; Y78-L274 VanDerWaalsContact CA-O 3.24Å; Y78-L274 WeakPolarHBondContact CA-O 3.1Å; Y78-L274 HydrophobicContact CD1-CB 4.42Å; Y78-Q275 HydrophobicContact CD1-CG 3.94Å; Y78-Q275 HydrophobicContact CE1-CG 3.7Å
79	W	87.4	Confident	73.3	Confident	8 Å²	8	44.5 Å²	44.5	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.7	-174.6	-58.1	-92	0	0	0	110.5	N77 S125 L274 Q275 D276 F277 P278 A381	N77-W79 HydrophobicContact CB-CH2 4.08Å; N77-W79 HydrophobicContact CB-CZ2 3.76Å; N77-W79 VanDerWaalsContact ND2-CE2 3.3Å; N77-W79 PolarHBondContact ND2-NE1 3.49Å; N77-W79 WeakPolarHBondContact O-CH2 3.12Å; N77-W79 WeakPolarHBondContact O-CZ3 3.43Å; W79-S125 CarbonylContact C-O 3.51Å; W79-S125 VanDerWaalsContact CA-O 3.3Å; W79-S125 WeakPolarHBondContact CA-O 3.31Å; W79-L274 PolarHBondContact N-O 2.75Å; W79-L274 VanDerWaalsContact O-CA 3.25Å; W79-L274 WeakPolarHBondContact O-CA 3.38Å; W79-L274 WeakPolarHBondContact O-CB 3.4Å; W79-L274 VanDerWaalsContact O-CD2 3.3Å; W79-L274 WeakPolarHBondContact O-CD2 3.29Å; W79-Q275 WeakPolarHBondContact CZ3-O 3.22Å; W79-D276 VanDerWaalsContact CE3-C 3.45Å; W79-F277 AromaticContact CE2-CD2 3.91Å; W79-F277 AromaticContact CH2-CD2 3.99Å; W79-F277 HydrophobicContact CH2-CD2 3.99Å; W79-F277 AromaticContact CZ2-CD2 3.47Å; W79-F277 HydrophobicContact CZ2-CD2 3.47Å; W79-F277 VanDerWaalsContact CZ2-CD2 3.47Å; W79-F277 AromaticContact CZ2-CE2 3.94Å; W79-F277 HydrophobicContact CZ2-CE2 3.94Å; W79-F277 HydrophobicContact CZ2-CG 4.45Å; W79-P278 HydrophobicContact CB-CB 4.27Å; W79-P278 HydrophobicContact CB-CG 3.93Å; W79-P278 VanDerWaalsContact CD1-CG 3.48Å; W79-P278 HydrophobicContact CD2-CG 4.43Å; W79-P278 HydrophobicContact CG-CG 3.7Å; W79-A381 HydrophobicContact CH2-CB 4.17Å; W79-A381 HydrophobicContact CZ2-CB 4.39Å
80	I	93.7	Very high	75.8	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	93.2	172.8	-50.2	175.8	0	0	0	107.6	T82 F115 M124 S125 V127 H171 M191 I216 L220 L274	I80-T82 PolarHBondContact O-N 2.94Å; I80-T82 PolarHBondContact O-OG1 3.2Å; I80-T82 VanDerWaalsContact O-OG1 3.13Å; I80-F115 HydrophobicContact CD1-CD1 4.21Å; I80-F115 HydrophobicContact CD1-CE1 3.76Å; I80-F115 HydrophobicContact CD1-CZ 4.1Å; I80-M124 HydrophobicContact CD1-CG 4.15Å; I80-M124 HydrophobicContact CD1-SD 3.74Å; I80-M124 HydrophobicContact CG1-CG 4.23Å; I80-M124 HydrophobicContact CG1-SD 4.23Å; I80-S125 PolarHBondContact N-O 3.4Å; I80-V127 PolarHBondContact O-N 3.14Å; I80-H171 HydrophobicContact CG2-CB 3.88Å; I80-M191 HydrophobicContact CD1-CE 4.43Å; I80-M191 HydrophobicContact CG2-CE 3.76Å; I80-M191 HydrophobicContact CG2-SD 4.31Å; I80-I216 HydrophobicContact CD1-CG2 3.79Å; I80-L220 HydrophobicContact CD1-CD1 4.15Å; I80-L274 HydrophobicContact CB-CD2 4.46Å; I80-L274 HydrophobicContact CG1-CD1 4.23Å; I80-L274 HydrophobicContact CG1-CD2 4.18Å
81	E	91.2	Very high	78.5	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	101.5	176	-63.8	-173.2	107.5	0	0	109.5	V127 Q129 Y169 D170 H171 P278 I279	E81-V127 CarbonylContact C-O 3.51Å; E81-Q129 HydrophobicContact CB-CG 3.92Å; E81-Q129 PolarHBondContact OE1-NE2 2.86Å; E81-Y169 CarbonylContact O-C 3.58Å; E81-Y169 WeakPolarHBondContact O-CB 3.37Å; E81-D170 HydrophobicContact CB-CB 4.31Å; E81-D170 VanDerWaalsContact CB-OD2 3.32Å; E81-D170 WeakPolarHBondContact CB-OD2 3.4Å; E81-D170 WeakPolarHBondContact CG-OD2 2.98Å; E81-D170 PolarHBondContact N-OD2 3.42Å; E81-D170 PolarHBondContact O-N 3.3Å; E81-H171 PolarHBondContact O-N 3.42Å; E81-P278 HydrophobicContact CG-CB 3.66Å; E81-P278 WeakPolarHBondContact OE1-CA 3.37Å; E81-P278 WeakPolarHBondContact OE1-CB 2.99Å; E81-I279 PolarHBondContact OE1-N 3.18Å
82	T	94.5	Very high	81.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.9	-171.8	-55.9	0	0	0	0	111.5	I80 V84 M108 V127 V128 Q129 H171 L173	I80-T82 PolarHBondContact O-N 2.94Å; I80-T82 PolarHBondContact O-OG1 3.2Å; I80-T82 VanDerWaalsContact O-OG1 3.13Å; T82-V84 HydrophobicContact CG2-CG2 4.13Å; T82-M108 HydrophobicContact CG2-CE 4.4Å; T82-V127 PolarHBondContact N-O 2.83Å; T82-V128 WeakPolarHBondContact O-CA 3.44Å; T82-Q129 PolarHBondContact O-N 2.96Å; T82-H171 CarbonylContact C-O 3.57Å; T82-H171 VanDerWaalsContact CA-O 3.25Å; T82-H171 WeakPolarHBondContact CA-O 3.08Å; T82-L173 HydrophobicContact CG2-CB 3.93Å
83	L	94.9	Very high	84	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.4	168.1	-175	64.5	0	0	0	109.4	F85 Q129 D130 I132 H163 Y167 Y169 H171 A172 L173	L83-F85 HydrophobicContact CB-CE2 4.11Å; L83-F85 HydrophobicContact CD2-CE1 4.24Å; L83-F85 HydrophobicContact CD2-CE2 3.56Å; L83-F85 HydrophobicContact CD2-CZ 3.31Å; L83-F85 HydrophobicContact CG-CD2 4.32Å; L83-F85 HydrophobicContact CG-CE2 3.6Å; L83-F85 HydrophobicContact CG-CZ 3.81Å; L83-Q129 HydrophobicContact CD1-CB 4.47Å; L83-D130 HydrophobicContact CD1-CB 3.59Å; L83-I132 HydrophobicContact CD1-CD1 4.32Å; L83-I132 HydrophobicContact CD1-CG1 3.88Å; L83-I132 HydrophobicContact CD2-CG1 4.41Å; L83-I132 HydrophobicContact CG-CG1 4.25Å; L83-H163 HydrophobicContact CD2-CB 3.72Å; L83-Y167 HydrophobicContact CD1-CD1 4.1Å; L83-Y167 HydrophobicContact CD1-CD2 4.06Å; L83-Y167 HydrophobicContact CD1-CE1 4.46Å; L83-Y167 HydrophobicContact CD1-CE2 4.41Å; L83-Y167 HydrophobicContact CD1-CG 3.89Å; L83-Y167 HydrophobicContact CD2-CD2 3.68Å; L83-Y167 HydrophobicContact CD2-CE2 4.38Å; L83-Y167 HydrophobicContact CD2-CG 4.01Å; L83-Y169 HydrophobicContact CB-CD1 3.56Å; L83-Y169 HydrophobicContact CB-CD2 4.49Å; L83-Y169 HydrophobicContact CB-CE1 4.25Å; L83-Y169 HydrophobicContact CB-CG 3.7Å; L83-Y169 HydrophobicContact CD2-CD1 3.5Å; L83-Y169 HydrophobicContact CD2-CE1 3.63Å; L83-Y169 HydrophobicContact CD2-CG 4.48Å; L83-Y169 HydrophobicContact CG-CD1 4.16Å; L83-H171 PolarHBondContact N-O 2.79Å; L83-A172 WeakPolarHBondContact O-CA 2.93Å; L83-L173 PolarHBondContact O-N 3.23Å
84	V	97	Very high	86.8	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.2	-175.3	-175.2	0	0	0	0	109.6	T82 V104 M108 V128 D130 I131 I132 L173	T82-V84 HydrophobicContact CG2-CG2 4.13Å; V84-V104 HydrophobicContact CG1-CG1 3.74Å; V84-M108 HydrophobicContact CG1-SD 4.45Å; V84-M108 HydrophobicContact CG2-CE 4.04Å; V84-M108 HydrophobicContact CG2-CG 3.96Å; V84-M108 HydrophobicContact CG2-SD 3.92Å; V84-V128 HydrophobicContact CG2-CG1 4.13Å; V84-V128 HydrophobicContact CG2-CG2 4.3Å; V84-D130 PolarHBondContact N-O 2.84Å; V84-D130 VanDerWaalsContact N-O 3.08Å; V84-I131 HydrophobicContact CB-CG1 4.39Å; V84-I131 CarbonylContact O-C 3.55Å; V84-I131 WeakPolarHBondContact O-CA 3.37Å; V84-I132 PolarHBondContact O-N 3.44Å; V84-L173 CarbonylContact C-O 3.55Å; V84-L173 HydrophobicContact CG1-CD2 4.34Å; V84-L173 HydrophobicContact CG2-CD2 4.41Å
85	F	98.1	Very high	89.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.1	175.6	-63.5	-95.6	0	0	0	107.9	L83 I132 V134 F155 W158 A159 H163 A172 L173 F174 L175	L83-F85 HydrophobicContact CB-CE2 4.11Å; L83-F85 HydrophobicContact CD2-CE1 4.24Å; L83-F85 HydrophobicContact CD2-CE2 3.56Å; L83-F85 HydrophobicContact CD2-CZ 3.31Å; L83-F85 HydrophobicContact CG-CD2 4.32Å; L83-F85 HydrophobicContact CG-CE2 3.6Å; L83-F85 HydrophobicContact CG-CZ 3.81Å; F85-I132 CarbonylContact C-O 3.45Å; F85-I132 VanDerWaalsContact CA-O 3.26Å; F85-I132 WeakPolarHBondContact CA-O 3.46Å; F85-I132 HydrophobicContact CD1-CB 3.59Å; F85-I132 HydrophobicContact CD1-CG1 4.16Å; F85-I132 HydrophobicContact CD1-CG2 3.81Å; F85-I132 HydrophobicContact CE1-CB 3.86Å; F85-I132 HydrophobicContact CE1-CG1 3.96Å; F85-I132 HydrophobicContact CE1-CG2 3.95Å; F85-I132 HydrophobicContact CG-CB 4.33Å; F85-V134 HydrophobicContact CB-CG2 3.96Å; F85-V134 HydrophobicContact CD1-CG2 3.9Å; F85-V134 HydrophobicContact CG-CG2 4.43Å; F85-F155 HydrophobicContact CB-CE2 4.22Å; F85-F155 HydrophobicContact CD1-CE2 4.49Å; F85-F155 AromaticContact CD2-CE2 3.59Å; F85-F155 HydrophobicContact CD2-CE2 3.59Å; F85-F155 AromaticContact CD2-CZ 3.56Å; F85-F155 HydrophobicContact CD2-CZ 3.56Å; F85-F155 AromaticContact CE2-CE2 3.98Å; F85-F155 HydrophobicContact CE2-CE2 3.98Å; F85-F155 AromaticContact CE2-CZ 3.98Å; F85-F155 HydrophobicContact CE2-CZ 3.98Å; F85-F155 AromaticContact CG-CE2 3.86Å; F85-F155 HydrophobicContact CG-CE2 3.86Å; F85-F155 HydrophobicContact CG-CZ 4.22Å; F85-W158 AromaticContact CD1-CH2 3.83Å; F85-W158 HydrophobicContact CD1-CH2 3.83Å; F85-W158 AromaticContact CD1-CZ3 3.48Å; F85-W158 HydrophobicContact CD1-CZ3 3.48Å; F85-W158 VanDerWaalsContact CD1-CZ3 3.48Å; F85-W158 HydrophobicContact CE1-CE3 4.41Å; F85-W158 AromaticContact CE1-CH2 3.73Å; F85-W158 HydrophobicContact CE1-CH2 3.73Å; F85-W158 AromaticContact CE1-CZ3 3.36Å; F85-W158 HydrophobicContact CE1-CZ3 3.36Å; F85-W158 HydrophobicContact CG-CZ3 4.33Å; F85-W158 HydrophobicContact CZ-CZ3 4.11Å; F85-A159 HydrophobicContact CE2-CB 3.98Å; F85-A159 HydrophobicContact CZ-CB 3.88Å; F85-H163 HydrophobicContact CE1-CB 4.43Å; F85-H163 AromaticContact CE1-CD2 3.47Å; F85-H163 VanDerWaalsContact CE1-CD2 3.47Å; F85-H163 WeakPolarHBondContact CE1-CD2 3.46Å; F85-H163 AromaticContact CE1-CG 3.81Å; F85-H163 AromaticContact CE1-NE2 3.79Å; F85-H163 HydrophobicContact CZ-CB 3.99Å; F85-H163 AromaticContact CZ-CD2 3.78Å; F85-H163 AromaticContact CZ-CG 3.87Å; F85-A172 HydrophobicContact CE2-CB 4Å; F85-L173 WeakPolarHBondContact CB-O 3.49Å; F85-L173 PolarHBondContact N-O 2.74Å; F85-F174 HydrophobicContact CB-CD2 3.67Å; F85-F174 HydrophobicContact CB-CE2 4.42Å; F85-F174 CarbonylContact O-C 3.51Å; F85-F174 WeakPolarHBondContact O-CA 3.38Å; F85-L175 PolarHBondContact O-N 2.98Å
86	A	97.7	Very high	91.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.4	176.6	0	0	0	0	0	108.7	V90 V104 I132 W133 V134	A86-V90 HydrophobicContact CB-CB 4.3Å; A86-V90 HydrophobicContact CB-CG1 4.29Å; A86-V104 HydrophobicContact CB-CG2 4.2Å; A86-I132 PolarHBondContact N-O 2.95Å; A86-W133 HydrophobicContact CB-CE3 3.83Å; A86-W133 HydrophobicContact CB-CH2 4.15Å; A86-W133 HydrophobicContact CB-CZ3 3.59Å; A86-W133 CarbonylContact O-C 3.52Å; A86-W133 WeakPolarHBondContact O-CA 3.33Å; A86-V134 PolarHBondContact O-N 2.88Å
87	D	96.7	Very high	92.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	172.2	-177.4	88.6	-12	0	0	0	113.2	T89 V90 M91 V134 S139 F174 L175 S176	D87-T89 PolarHBondContact O-N 3.07Å; D87-T89 VanDerWaalsContact O-N 3.09Å; D87-T89 WeakPolarHBondContact OD1-CA 3.36Å; D87-T89 WeakPolarHBondContact OD1-CB 3.48Å; D87-T89 PolarHBondContact OD1-N 3.29Å; D87-T89 PolarHBondContact OD1-OG1 2.78Å; D87-V90 PolarHBondContact O-N 3.35Å; D87-V90 PolarHBondContact OD1-N 2.98Å; D87-M91 PolarHBondContact O-N 3.47Å; D87-M91 VanDerWaalsContact O-N 3.15Å; D87-V134 CarbonylContact C-O 3.59Å; D87-V134 WeakPolarHBondContact CA-O 3.27Å; D87-V134 HydrophobicContact CB-CB 4.33Å; D87-S139 PolarHBondContact OD2-OG 3.02Å; D87-F174 HydrophobicContact CB-CE2 4.21Å; D87-F174 HydrophobicContact CB-CZ 3.8Å; D87-L175 PolarHBondContact N-O 3.43Å; D87-L175 VanDerWaalsContact N-O 3.11Å; D87-S176 VanDerWaalsContact CG-OG 3.23Å; D87-S176 PolarHBondContact OD1-OG 3.2Å; D87-S176 WeakPolarHBondContact OD2-CB 3.43Å; D87-S176 PolarHBondContact OD2-OG 2.92Å
88	H	95.2	Very high	93.3	Very high	24 Å²	24	32.7 Å²	32.7	11%	0.111	17%	0.174	C	C	.	.	H	α-helix	trans	-51.9	-29.6	177.5	73.1	-67.1	0	0	0	114.2	V90 M91 N92 V134 E136	H88-V90 VanDerWaalsContact C-N 3.35Å; H88-M91 PolarHBondContact O-N 3.3Å; H88-N92 WeakPolarHBondContact O-CB 3.09Å; H88-N92 PolarHBondContact O-N 2.88Å; H88-N92 PolarHBondContact O-ND2 3.36Å; H88-N92 PolarHBondContact O-OD1 2.82Å; H88-V134 PolarHBondContact N-O 3.42Å; H88-E136 HydrophobicContact CB-CB 4.4Å; H88-E136 WeakPolarHBondContact ND1-CA 3.4Å
89	T	94.7	Very high	93.5	Very high	20 Å²	20	33.6 Å²	33.6	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-70.8	-32.3	179.9	71	0	0	0	0	112.4	D87 R93 R177 N178	D87-T89 PolarHBondContact O-N 3.07Å; D87-T89 VanDerWaalsContact O-N 3.09Å; D87-T89 WeakPolarHBondContact OD1-CA 3.36Å; D87-T89 WeakPolarHBondContact OD1-CB 3.48Å; D87-T89 PolarHBondContact OD1-N 3.29Å; D87-T89 PolarHBondContact OD1-OG1 2.78Å; T89-R93 VanDerWaalsContact O-CG 3.27Å; T89-R93 WeakPolarHBondContact O-CG 3.19Å; T89-R177 WeakPolarHBondContact O-CD 3.33Å; T89-R177 WeakPolarHBondContact OG1-CB 3.35Å; T89-R177 PolarHBondContact OG1-N 3.09Å; T89-N178 WeakPolarHBondContact CG2-ND2 3.22Å
90	V	95.2	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-72.3	-45.4	172.6	-176.9	0	0	0	0	109.9	A86 D87 H88 N92 R93 F94 Y103 V104 W133 L175 D203	A86-V90 HydrophobicContact CB-CB 4.3Å; A86-V90 HydrophobicContact CB-CG1 4.29Å; D87-V90 PolarHBondContact O-N 3.35Å; D87-V90 PolarHBondContact OD1-N 2.98Å; H88-V90 VanDerWaalsContact C-N 3.35Å; V90-N92 PolarHBondContact O-N 2.8Å; V90-R93 WeakPolarHBondContact O-CG 3.24Å; V90-R93 PolarHBondContact O-N 3.48Å; V90-F94 WeakPolarHBondContact O-CD2 3.16Å; V90-Y103 HydrophobicContact CG1-CD1 4.2Å; V90-Y103 HydrophobicContact CG1-CE1 4.06Å; V90-V104 HydrophobicContact CG1-CG2 4.37Å; V90-W133 HydrophobicContact CG1-CZ3 4.46Å; V90-L175 HydrophobicContact CG1-CD2 4.18Å; V90-L175 HydrophobicContact CG2-CD2 4.32Å; V90-L175 HydrophobicContact CG2-CG 4.05Å; V90-L175 WeakPolarHBondContact CG2-O 3.42Å; V90-D203 HydrophobicContact CG2-CB 3.87Å
91	M	94	Very high	93.8	Very high	61 Å²	61	35 Å²	35	30%	0.3	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-46.8	-179.9	-169.3	178.2	61.1	0	0	112.1	D87 H88 R93 F94 W133	D87-M91 PolarHBondContact O-N 3.47Å; D87-M91 VanDerWaalsContact O-N 3.15Å; H88-M91 PolarHBondContact O-N 3.3Å; M91-R93 PolarHBondContact O-N 2.95Å; M91-R93 VanDerWaalsContact O-N 3.17Å; M91-F94 PolarHBondContact O-N 2.58Å; M91-W133 HydrophobicContact CB-CE3 3.63Å; M91-W133 HydrophobicContact CB-CZ3 3.56Å; M91-W133 HydrophobicContact CG-CE3 3.94Å; M91-W133 HydrophobicContact CG-CZ3 4.03Å; M91-W133 HydrophobicContact SD-CD2 4.45Å; M91-W133 HydrophobicContact SD-CE3 4.23Å
92	N	92.5	Very high	93.8	Very high	109 Å²	109	37.7 Å²	37.7	58%	0.583	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.8	-172.8	-69.8	-14.2	0	0	0	113.8	H88 V90 F94	H88-N92 WeakPolarHBondContact O-CB 3.09Å; H88-N92 PolarHBondContact O-N 2.88Å; H88-N92 PolarHBondContact O-ND2 3.36Å; H88-N92 PolarHBondContact O-OD1 2.82Å; V90-N92 PolarHBondContact O-N 2.8Å; N92-F94 VanDerWaalsContact C-N 3.25Å
93	R	90.4	Very high	93.8	Very high	27 Å²	27	37.7 Å²	37.7	10%	0.102	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.4	172.4	-53.7	-168.4	90.7	-171.1	-172	111.9	T89 V90 M91 R177 D203 F301 V302 I303 G305	T89-R93 VanDerWaalsContact O-CG 3.27Å; T89-R93 WeakPolarHBondContact O-CG 3.19Å; V90-R93 WeakPolarHBondContact O-CG 3.24Å; V90-R93 PolarHBondContact O-N 3.48Å; M91-R93 PolarHBondContact O-N 2.95Å; M91-R93 VanDerWaalsContact O-N 3.17Å; R93-R177 VanDerWaalsContact NH1-CZ 3.3Å; R93-R177 VanDerWaalsContact NH1-NH1 3.19Å; R93-R177 VanDerWaalsContact NH2-NH1 3.12Å; R93-D203 WeakPolarHBondContact CD-OD2 3.45Å; R93-D203 IonicContact NH2-OD2 3.21Å; R93-F301 VanDerWaalsContact O-CZ 3.24Å; R93-F301 WeakPolarHBondContact O-CZ 3.44Å; R93-V302 VanDerWaalsContact CZ-O 3.3Å; R93-V302 PolarHBondContact NH1-O 2.72Å; R93-V302 PolarHBondContact NH2-O 3.2Å; R93-I303 PolarHBondContact NH1-O 3.47Å; R93-I303 VanDerWaalsContact NH1-O 3.16Å; R93-G305 VanDerWaalsContact NH1-CA 3.31Å; R93-G305 VanDerWaalsContact NH1-N 3.2Å
94	F	92.2	Very high	93.8	Very high	15 Å²	15	37.7 Å²	37.7	7%	0.066	20%	0.202	C	C	.	.	S	Bend	trans	-102.9	155	-171.7	-57.7	-83.7	0	0	0	110.7	V90 M91 N92 N96 I99 A100 Y103 W294 F301 V302	V90-F94 WeakPolarHBondContact O-CD2 3.16Å; M91-F94 PolarHBondContact O-N 2.58Å; N92-F94 VanDerWaalsContact C-N 3.25Å; F94-N96 PolarHBondContact O-N 3.19Å; F94-I99 HydrophobicContact CB-CB 4.22Å; F94-I99 HydrophobicContact CB-CG2 4.18Å; F94-I99 HydrophobicContact CD1-CB 4.4Å; F94-I99 HydrophobicContact CD1-CG2 3.48Å; F94-I99 VanDerWaalsContact CD1-CG2 3.48Å; F94-I99 HydrophobicContact CE1-CG2 4.19Å; F94-I99 HydrophobicContact CG-CG2 4.08Å; F94-A100 HydrophobicContact CB-CB 4.06Å; F94-A100 HydrophobicContact CD2-CB 3.59Å; F94-A100 HydrophobicContact CE2-CB 4.4Å; F94-A100 HydrophobicContact CG-CB 4.08Å; F94-Y103 HydrophobicContact CE1-CG 4.36Å; F94-Y103 AromaticContact CE2-CD1 3.6Å; F94-Y103 HydrophobicContact CE2-CD1 3.6Å; F94-Y103 HydrophobicContact CE2-CE1 4.35Å; F94-Y103 AromaticContact CE2-CG 3.74Å; F94-Y103 HydrophobicContact CE2-CG 3.74Å; F94-Y103 AromaticContact CZ-CD1 3.72Å; F94-Y103 HydrophobicContact CZ-CD1 3.72Å; F94-Y103 AromaticContact CZ-CD2 3.88Å; F94-Y103 HydrophobicContact CZ-CD2 3.88Å; F94-Y103 HydrophobicContact CZ-CE1 4.44Å; F94-Y103 AromaticContact CZ-CG 3.39Å; F94-Y103 HydrophobicContact CZ-CG 3.39Å; F94-W294 HydrophobicContact CE1-CH2 4.18Å; F94-W294 HydrophobicContact CE1-CZ3 4.18Å; F94-F301 AromaticContact CD1-CE1 3.69Å; F94-F301 HydrophobicContact CD1-CE1 3.69Å; F94-F301 HydrophobicContact CE1-CD1 4.34Å; F94-F301 AromaticContact CE1-CE1 3.77Å; F94-F301 HydrophobicContact CE1-CE1 3.77Å; F94-V302 HydrophobicContact CE1-CG2 4.02Å; F94-V302 HydrophobicContact CZ-CG2 4.23Å
95	S	89.9	Confident	93.6	Very high	104 Å²	104	39.2 Å²	39.2	73%	0.727	21%	0.209	S	C	*	.	S	Bend	trans	-65.7	-22.5	-178.1	55.3	0	0	0	0	113.7	I99	S95-I99 WeakPolarHBondContact OG-CD1 3.49Å
96	N	91.9	Very high	93.4	Very high	72 Å²	72	39.4 Å²	39.4	39%	0.385	21%	0.21	S	C	.	.	S	Bend	trans	-154.8	165.6	177.6	63.2	56.9	0	0	0	111	F94 T98 I99 A100	F94-N96 PolarHBondContact O-N 3.19Å; N96-T98 VanDerWaalsContact C-N 3.3Å; N96-T98 PolarHBondContact O-N 3.33Å; N96-T98 WeakPolarHBondContact OD1-CB 3.3Å; N96-T98 PolarHBondContact OD1-N 3.13Å; N96-I99 PolarHBondContact O-N 3.15Å; N96-I99 WeakPolarHBondContact OD1-CG1 3.27Å; N96-I99 PolarHBondContact OD1-N 2.84Å; N96-A100 PolarHBondContact O-N 2.66Å
97	K	92.7	Very high	93.2	Very high	111 Å²	111	39.4 Å²	39.4	48%	0.483	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-34.7	179.9	-173.7	-176.2	178.1	-175	0	113.2	A100 E101 W133	K97-A100 PolarHBondContact O-N 3.12Å; K97-E101 WeakPolarHBondContact O-CB 3.26Å; K97-E101 PolarHBondContact O-N 3.07Å; K97-W133 HydrophobicContact CG-CZ2 4.47Å
98	T	92	Very high	93.1	Very high	95 Å²	95	39.6 Å²	39.6	58%	0.583	21%	0.211	S	C	*	.	H	α-helix	trans	-61.9	-48.9	-178.4	-54	0	0	0	0	111.3	N96 A100 E101 D102	N96-T98 VanDerWaalsContact C-N 3.3Å; N96-T98 PolarHBondContact O-N 3.33Å; N96-T98 WeakPolarHBondContact OD1-CB 3.3Å; N96-T98 PolarHBondContact OD1-N 3.13Å; T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.23Å; T98-E101 WeakPolarHBondContact O-CB 3.38Å; T98-E101 PolarHBondContact O-N 3.49Å; T98-D102 PolarHBondContact O-N 3.19Å
99	I	91.7	Very high	92.8	Very high	54 Å²	54	40.3 Å²	40.3	28%	0.277	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-38.1	177.9	-59.9	171.4	0	0	0	110.7	F94 S95 N96 E101 D102 Y103 W294	F94-I99 HydrophobicContact CB-CB 4.22Å; F94-I99 HydrophobicContact CB-CG2 4.18Å; F94-I99 HydrophobicContact CD1-CB 4.4Å; F94-I99 HydrophobicContact CD1-CG2 3.48Å; F94-I99 VanDerWaalsContact CD1-CG2 3.48Å; F94-I99 HydrophobicContact CE1-CG2 4.19Å; F94-I99 HydrophobicContact CG-CG2 4.08Å; S95-I99 WeakPolarHBondContact OG-CD1 3.49Å; N96-I99 PolarHBondContact O-N 3.15Å; N96-I99 WeakPolarHBondContact OD1-CG1 3.27Å; N96-I99 PolarHBondContact OD1-N 2.84Å; I99-E101 VanDerWaalsContact C-N 3.3Å; I99-E101 PolarHBondContact O-N 2.8Å; I99-D102 PolarHBondContact O-N 3.47Å; I99-Y103 WeakPolarHBondContact O-CB 3.44Å; I99-Y103 PolarHBondContact O-N 2.86Å; I99-W294 HydrophobicContact CG2-CH2 4.07Å; I99-W294 HydrophobicContact CG2-CZ3 4.46Å
100	A	94	Very high	92.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-37.6	175.5	0	0	0	0	0	112	F94 N96 K97 T98 Y103 V104 W133	F94-A100 HydrophobicContact CB-CB 4.06Å; F94-A100 HydrophobicContact CD2-CB 3.59Å; F94-A100 HydrophobicContact CE2-CB 4.4Å; F94-A100 HydrophobicContact CG-CB 4.08Å; N96-A100 PolarHBondContact O-N 2.66Å; K97-A100 PolarHBondContact O-N 3.12Å; T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.23Å; A100-Y103 WeakPolarHBondContact O-CB 3.4Å; A100-Y103 PolarHBondContact O-N 2.69Å; A100-V104 WeakPolarHBondContact O-CG2 3.39Å; A100-V104 PolarHBondContact O-N 3.11Å; A100-V104 VanDerWaalsContact O-N 3.08Å; A100-W133 HydrophobicContact CB-CH2 3.38Å; A100-W133 HydrophobicContact CB-CZ2 3.93Å; A100-W133 HydrophobicContact CB-CZ3 4.16Å
101	E	93.6	Very high	92.5	Very high	37 Å²	37	41.1 Å²	41.1	17%	0.173	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-41.8	175.9	-165.5	179.7	121.5	0	0	111.8	K97 T98 I99 Y103 V104 K105 I131 W133	K97-E101 WeakPolarHBondContact O-CB 3.26Å; K97-E101 PolarHBondContact O-N 3.07Å; T98-E101 WeakPolarHBondContact O-CB 3.38Å; T98-E101 PolarHBondContact O-N 3.49Å; I99-E101 VanDerWaalsContact C-N 3.3Å; I99-E101 PolarHBondContact O-N 2.8Å; E101-Y103 VanDerWaalsContact C-N 3.26Å; E101-Y103 PolarHBondContact O-N 3.47Å; E101-V104 PolarHBondContact O-N 3.47Å; E101-K105 HydrophobicContact CG-CD 4.46Å; E101-K105 WeakPolarHBondContact O-CB 3.19Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.28Å; E101-K105 PolarHBondContact O-N 3.32Å; E101-K105 VanDerWaalsContact OE1-CE 3.23Å; E101-K105 WeakPolarHBondContact OE1-CE 3.4Å; E101-K105 IonicContact OE1-NZ 3.16Å; E101-K105 PolarHBondContact OE1-NZ 3.19Å; E101-I131 HydrophobicContact CG-CD1 3.87Å; E101-W133 HydrophobicContact CB-CZ2 4.13Å
102	D	91.6	Very high	92.4	Very high	62 Å²	62	39.8 Å²	39.8	33%	0.332	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-37.1	173.5	-68.1	-24.1	0	0	0	111.3	T98 I99 T106 W294	T98-D102 PolarHBondContact O-N 3.19Å; I99-D102 PolarHBondContact O-N 3.47Å; D102-T106 VanDerWaalsContact O-CB 3.31Å; D102-T106 WeakPolarHBondContact O-CB 3.49Å; D102-T106 PolarHBondContact O-N 3.41Å; D102-T106 PolarHBondContact O-OG1 2.82Å; D102-W294 HydrophobicContact CB-CZ2 4.17Å
103	Y	94.4	Very high	92.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-52.2	173.9	166.1	-109.9	0	0	0	111.3	V90 F94 I99 A100 E101 K105 T106 L107 L175 D203 G205 F206 W294 V302	V90-Y103 HydrophobicContact CG1-CD1 4.2Å; V90-Y103 HydrophobicContact CG1-CE1 4.06Å; F94-Y103 HydrophobicContact CE1-CG 4.36Å; F94-Y103 AromaticContact CE2-CD1 3.6Å; F94-Y103 HydrophobicContact CE2-CD1 3.6Å; F94-Y103 HydrophobicContact CE2-CE1 4.35Å; F94-Y103 AromaticContact CE2-CG 3.74Å; F94-Y103 HydrophobicContact CE2-CG 3.74Å; F94-Y103 AromaticContact CZ-CD1 3.72Å; F94-Y103 HydrophobicContact CZ-CD1 3.72Å; F94-Y103 AromaticContact CZ-CD2 3.88Å; F94-Y103 HydrophobicContact CZ-CD2 3.88Å; F94-Y103 HydrophobicContact CZ-CE1 4.44Å; F94-Y103 AromaticContact CZ-CG 3.39Å; F94-Y103 HydrophobicContact CZ-CG 3.39Å; I99-Y103 WeakPolarHBondContact O-CB 3.44Å; I99-Y103 PolarHBondContact O-N 2.86Å; A100-Y103 WeakPolarHBondContact O-CB 3.4Å; A100-Y103 PolarHBondContact O-N 2.69Å; E101-Y103 VanDerWaalsContact C-N 3.26Å; E101-Y103 PolarHBondContact O-N 3.47Å; Y103-K105 PolarHBondContact O-N 2.79Å; Y103-T106 WeakPolarHBondContact O-CB 3.4Å; Y103-T106 PolarHBondContact O-N 2.81Å; Y103-L107 WeakPolarHBondContact O-CB 3.25Å; Y103-L107 PolarHBondContact O-N 3.04Å; Y103-L175 HydrophobicContact CE1-CD2 4.49Å; Y103-D203 WeakPolarHBondContact CE1-OD1 3.47Å; Y103-D203 VanDerWaalsContact CZ-OD1 3.32Å; Y103-D203 PolarHBondContact OH-OD1 2.86Å; Y103-G205 WeakPolarHBondContact OH-CA 3.33Å; Y103-G205 PolarHBondContact OH-N 2.87Å; Y103-G205 PolarHBondContact OH-O 3.32Å; Y103-G205 VanDerWaalsContact OH-O 3.14Å; Y103-F206 HydrophobicContact CD2-CD1 4.2Å; Y103-F206 AromaticContact CD2-CE1 3.56Å; Y103-F206 HydrophobicContact CD2-CE1 3.56Å; Y103-F206 AromaticContact CD2-CZ 3.94Å; Y103-F206 HydrophobicContact CD2-CZ 3.94Å; Y103-F206 AromaticContact CE2-CD1 3.91Å; Y103-F206 HydrophobicContact CE2-CD1 3.91Å; Y103-F206 AromaticContact CE2-CE1 3.75Å; Y103-F206 HydrophobicContact CE2-CE1 3.75Å; Y103-F206 HydrophobicContact CE2-CZ 4.3Å; Y103-W294 VanDerWaalsContact CA-CZ2 3.48Å; Y103-V302 HydrophobicContact CD2-CG1 3.88Å; Y103-V302 HydrophobicContact CD2-CG2 4.26Å; Y103-V302 HydrophobicContact CE2-CG1 3.42Å; Y103-V302 VanDerWaalsContact CE2-CG1 3.42Å
104	V	95.2	Very high	92.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-43	179.2	175.4	0	0	0	0	110.8	V84 A86 V90 A100 E101 T106 L107 M108 I131 W133 L175	V84-V104 HydrophobicContact CG1-CG1 3.74Å; A86-V104 HydrophobicContact CB-CG2 4.2Å; V90-V104 HydrophobicContact CG1-CG2 4.37Å; A100-V104 WeakPolarHBondContact O-CG2 3.39Å; A100-V104 PolarHBondContact O-N 3.11Å; A100-V104 VanDerWaalsContact O-N 3.08Å; E101-V104 PolarHBondContact O-N 3.47Å; V104-T106 VanDerWaalsContact C-N 3.32Å; V104-T106 PolarHBondContact O-N 3.2Å; V104-L107 WeakPolarHBondContact O-CB 3.49Å; V104-L107 PolarHBondContact O-N 3.29Å; V104-M108 HydrophobicContact CG1-CG 4.28Å; V104-M108 VanDerWaalsContact O-CG 3.28Å; V104-M108 WeakPolarHBondContact O-CG 3.49Å; V104-M108 PolarHBondContact O-N 2.83Å; V104-I131 HydrophobicContact CB-CD1 4Å; V104-I131 HydrophobicContact CG1-CD1 3.66Å; V104-I131 HydrophobicContact CG1-CG1 4.05Å; V104-I131 HydrophobicContact CG1-CG2 4.21Å; V104-W133 HydrophobicContact CG2-CH2 4.16Å; V104-L175 HydrophobicContact CG2-CD2 4.37Å
105	K	92.9	Very high	92	Very high	31 Å²	31	35.6 Å²	35.6	14%	0.135	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-44.9	174.7	-75.2	171.9	-178	166.7	0	112	E101 Y103 M108 R109 I131 E283 Y284	E101-K105 HydrophobicContact CG-CD 4.46Å; E101-K105 WeakPolarHBondContact O-CB 3.19Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.28Å; E101-K105 PolarHBondContact O-N 3.32Å; E101-K105 VanDerWaalsContact OE1-CE 3.23Å; E101-K105 WeakPolarHBondContact OE1-CE 3.4Å; E101-K105 IonicContact OE1-NZ 3.16Å; E101-K105 PolarHBondContact OE1-NZ 3.19Å; Y103-K105 PolarHBondContact O-N 2.79Å; K105-M108 PolarHBondContact O-N 2.8Å; K105-R109 WeakPolarHBondContact O-CB 3.43Å; K105-R109 PolarHBondContact O-N 2.88Å; K105-I131 HydrophobicContact CG-CD1 3.94Å; K105-E283 VanDerWaalsContact CE-O 3.26Å; K105-E283 WeakPolarHBondContact CE-O 3.27Å; K105-E283 PolarHBondContact NZ-O 3.11Å; K105-Y284 HydrophobicContact CD-CD1 4.27Å; K105-Y284 HydrophobicContact CG-CD1 4.04Å
106	T	92.2	Very high	91.8	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-45.3	178.4	-58.8	0	0	0	0	111.1	D102 Y103 V104 R109 M110 F206 P290 W294	D102-T106 VanDerWaalsContact O-CB 3.31Å; D102-T106 WeakPolarHBondContact O-CB 3.49Å; D102-T106 PolarHBondContact O-N 3.41Å; D102-T106 PolarHBondContact O-OG1 2.82Å; Y103-T106 WeakPolarHBondContact O-CB 3.4Å; Y103-T106 PolarHBondContact O-N 2.81Å; V104-T106 VanDerWaalsContact C-N 3.32Å; V104-T106 PolarHBondContact O-N 3.2Å; T106-R109 PolarHBondContact O-N 3.12Å; T106-M110 HydrophobicContact CG2-SD 4.45Å; T106-M110 WeakPolarHBondContact O-CG 3.47Å; T106-M110 PolarHBondContact O-N 2.95Å; T106-F206 HydrophobicContact CG2-CD1 4.02Å; T106-F206 HydrophobicContact CG2-CE1 3.44Å; T106-F206 VanDerWaalsContact CG2-CE1 3.44Å; T106-F206 HydrophobicContact CG2-CZ 4.1Å; T106-P290 HydrophobicContact CG2-CB 3.59Å; T106-P290 HydrophobicContact CG2-CG 3.91Å; T106-W294 PolarHBondContact OG1-NE1 3.29Å
107	L	94.1	Very high	91.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-49.3	177	-179.9	64.9	0	0	0	111.6	Y103 V104 R109 M110 T111 L175 A209 I212	Y103-L107 WeakPolarHBondContact O-CB 3.25Å; Y103-L107 PolarHBondContact O-N 3.04Å; V104-L107 WeakPolarHBondContact O-CB 3.49Å; V104-L107 PolarHBondContact O-N 3.29Å; L107-R109 VanDerWaalsContact C-N 3.3Å; L107-R109 PolarHBondContact O-N 3.32Å; L107-M110 WeakPolarHBondContact O-CB 3.45Å; L107-M110 PolarHBondContact O-N 2.82Å; L107-M110 VanDerWaalsContact O-N 3.14Å; L107-T111 PolarHBondContact O-N 3.17Å; L107-T111 PolarHBondContact O-OG1 2.9Å; L107-L175 HydrophobicContact CD2-CD1 4.23Å; L107-L175 HydrophobicContact CD2-CD2 3.69Å; L107-A209 HydrophobicContact CD1-CB 4.05Å; L107-A209 VanDerWaalsContact CD1-N 3.35Å; L107-I212 HydrophobicContact CD1-CD1 4.43Å; L107-I212 HydrophobicContact CD2-CD1 3.81Å; L107-I212 HydrophobicContact CG-CD1 4.06Å
108	M	94.3	Very high	90.3	Very high	4 Å²	4	33 Å²	33	2%	0.02	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-33.6	-179.9	-64.3	-47.1	-57.5	0	0	112.7	T82 V84 V104 K105 T111 D112 L126 V128 L173	T82-M108 HydrophobicContact CG2-CE 4.4Å; V84-M108 HydrophobicContact CG1-SD 4.45Å; V84-M108 HydrophobicContact CG2-CE 4.04Å; V84-M108 HydrophobicContact CG2-CG 3.96Å; V84-M108 HydrophobicContact CG2-SD 3.92Å; V104-M108 HydrophobicContact CG1-CG 4.28Å; V104-M108 VanDerWaalsContact O-CG 3.28Å; V104-M108 WeakPolarHBondContact O-CG 3.49Å; V104-M108 PolarHBondContact O-N 2.83Å; K105-M108 PolarHBondContact O-N 2.8Å; M108-T111 WeakPolarHBondContact O-CB 3.41Å; M108-T111 PolarHBondContact O-N 3.14Å; M108-D112 PolarHBondContact O-N 2.94Å; M108-L126 HydrophobicContact CE-CD1 4.03Å; M108-L126 HydrophobicContact CE-CD2 3.39Å; M108-L126 HydrophobicContact CE-CG 4.36Å; M108-V128 HydrophobicContact CB-CG2 3.52Å; M108-V128 HydrophobicContact CE-CG2 4.5Å; M108-V128 HydrophobicContact CG-CG2 3.7Å; M108-L173 HydrophobicContact CE-CD2 3.69Å; M108-L173 HydrophobicContact SD-CD2 3.5Å; M108-L173 WeakPolarHBondContact SD-CD2 3.25Å
109	R	89.5	Confident	89.8	Confident	39 Å²	39	29.5 Å²	29.5	15%	0.147	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-46.5	170.9	175.1	176.8	178	167.1	-12.2	111.4	K105 T106 L107 T111 D112 E113 S286 F287 D288	K105-R109 WeakPolarHBondContact O-CB 3.43Å; K105-R109 PolarHBondContact O-N 2.88Å; T106-R109 PolarHBondContact O-N 3.12Å; L107-R109 VanDerWaalsContact C-N 3.3Å; L107-R109 PolarHBondContact O-N 3.32Å; R109-T111 PolarHBondContact O-N 2.89Å; R109-D112 WeakPolarHBondContact O-CB 3.26Å; R109-D112 PolarHBondContact O-N 2.79Å; R109-D112 VanDerWaalsContact O-N 3.12Å; R109-E113 HydrophobicContact CG-CG 4.5Å; R109-E113 IonicContact NE-OE1 2.76Å; R109-E113 WeakPolarHBondContact O-CG 3.4Å; R109-E113 PolarHBondContact O-N 2.8Å; R109-S286 VanDerWaalsContact NH1-C 3.32Å; R109-S286 PolarHBondContact NH1-O 3.34Å; R109-F287 PolarHBondContact NH1-O 3.25Å; R109-F287 PolarHBondContact NH2-O 3.02Å; R109-D288 VanDerWaalsContact CZ-O 3.27Å; R109-D288 VanDerWaalsContact NH1-C 3.31Å; R109-D288 VanDerWaalsContact NH1-N 3.12Å; R109-D288 PolarHBondContact NH1-O 3.04Å
110	M	90.3	Very high	89.6	Confident	37 Å²	37	26.9 Å²	26.9	18%	0.182	14%	0.14	C	C	.	.	H	α-helix	trans	-59	-38.7	176.8	-69	174.4	62.8	0	0	110.9	T106 L107 L114 F206 A209 P290 L343	T106-M110 HydrophobicContact CG2-SD 4.45Å; T106-M110 WeakPolarHBondContact O-CG 3.47Å; T106-M110 PolarHBondContact O-N 2.95Å; L107-M110 WeakPolarHBondContact O-CB 3.45Å; L107-M110 PolarHBondContact O-N 2.82Å; L107-M110 VanDerWaalsContact O-N 3.14Å; M110-L114 WeakPolarHBondContact O-CG 3.5Å; M110-L114 PolarHBondContact O-N 2.75Å; M110-F206 HydrophobicContact CE-CB 3.87Å; M110-F206 HydrophobicContact SD-CB 3.77Å; M110-F206 HydrophobicContact SD-CD1 3.77Å; M110-F206 HydrophobicContact SD-CG 3.99Å; M110-A209 HydrophobicContact CB-CB 3.69Å; M110-A209 HydrophobicContact CE-CB 4.45Å; M110-P290 HydrophobicContact CG-CG 4.42Å; M110-L343 HydrophobicContact CE-CD2 3.79Å; M110-L343 HydrophobicContact SD-CD2 3.53Å; M110-L343 VanDerWaalsContact SD-CD2 3.53Å
111	T	93.6	Very high	88.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-46.1	172.4	-56.4	0	0	0	0	112.2	L107 M108 R109 E113 L114 F115 L126 A209 I212 A213	L107-T111 PolarHBondContact O-N 3.17Å; L107-T111 PolarHBondContact O-OG1 2.9Å; M108-T111 WeakPolarHBondContact O-CB 3.41Å; M108-T111 PolarHBondContact O-N 3.14Å; R109-T111 PolarHBondContact O-N 2.89Å; T111-E113 PolarHBondContact O-N 2.94Å; T111-L114 WeakPolarHBondContact O-CB 3.37Å; T111-L114 PolarHBondContact O-N 2.93Å; T111-L114 VanDerWaalsContact O-N 3.11Å; T111-F115 HydrophobicContact CG2-CD2 4.38Å; T111-F115 HydrophobicContact CG2-CE2 3.98Å; T111-F115 WeakPolarHBondContact O-CD2 3.45Å; T111-F115 PolarHBondContact O-N 2.84Å; T111-L126 HydrophobicContact CG2-CD1 3.79Å; T111-A209 WeakPolarHBondContact OG1-CA 3.41Å; T111-A209 PolarHBondContact OG1-O 2.79Å; T111-I212 HydrophobicContact CG2-CB 4.31Å; T111-I212 HydrophobicContact CG2-CG2 3.75Å; T111-A213 HydrophobicContact CG2-CB 4.07Å
112	D	92	Very high	88.5	Confident	34 Å²	34	28.1 Å²	28.1	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-43.4	177.7	-176.4	40.7	0	0	0	112.2	M108 R109 L114 F115 H116 S125 L126	M108-D112 PolarHBondContact O-N 2.94Å; R109-D112 WeakPolarHBondContact O-CB 3.26Å; R109-D112 PolarHBondContact O-N 2.79Å; R109-D112 VanDerWaalsContact O-N 3.12Å; D112-L114 PolarHBondContact O-N 2.81Å; D112-L114 VanDerWaalsContact O-N 3.17Å; D112-F115 WeakPolarHBondContact O-CA 3.33Å; D112-F115 WeakPolarHBondContact O-CB 3.4Å; D112-F115 PolarHBondContact O-N 2.85Å; D112-H116 VanDerWaalsContact CG-CE1 3.46Å; D112-H116 PolarHBondContact O-N 3.33Å; D112-H116 VanDerWaalsContact O-N 3.13Å; D112-H116 PolarHBondContact O-ND1 2.93Å; D112-H116 IonicContact OD1-CE1 2.74Å; D112-H116 PolarHBondContact OD1-CE1 3.46Å; D112-H116 IonicContact OD1-ND1 3.98Å; D112-H116 IonicContact OD1-NE2 2.62Å; D112-H116 IonicContact OD2-CE1 2.64Å; D112-H116 PolarHBondContact OD2-CE1 3.04Å; D112-H116 VanDerWaalsContact OD2-CE1 3.31Å; D112-H116 IonicContact OD2-ND1 3.06Å; D112-S125 WeakPolarHBondContact OD1-CA 3.2Å; D112-L126 HydrophobicContact CB-CB 4.15Å; D112-L126 PolarHBondContact OD1-N 2.86Å
113	E	85.3	Confident	88	Confident	57 Å²	57	27.6 Å²	27.6	27%	0.266	16%	0.155	S	C	.	.	H	α-helix	trans	-58.9	-31	176.1	-65.8	-73.9	165.5	0	0	112.4	R109 T111 F115 H116 H117	R109-E113 HydrophobicContact CG-CG 4.5Å; R109-E113 IonicContact NE-OE1 2.76Å; R109-E113 WeakPolarHBondContact O-CG 3.4Å; R109-E113 PolarHBondContact O-N 2.8Å; T111-E113 PolarHBondContact O-N 2.94Å; E113-F115 VanDerWaalsContact C-N 3.34Å; E113-H116 PolarHBondContact O-N 3.01Å; E113-H117 PolarHBondContact O-N 3.38Å
114	L	89.9	Confident	87.7	Confident	5 Å²	5	27.6 Å²	27.6	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-66	-37	172.9	-58.3	175.2	0	0	0	111.4	M110 T111 D112 H116 H117 Y210 A213 I240 H252 W254	M110-L114 WeakPolarHBondContact O-CG 3.5Å; M110-L114 PolarHBondContact O-N 2.75Å; T111-L114 WeakPolarHBondContact O-CB 3.37Å; T111-L114 PolarHBondContact O-N 2.93Å; T111-L114 VanDerWaalsContact O-N 3.11Å; D112-L114 PolarHBondContact O-N 2.81Å; D112-L114 VanDerWaalsContact O-N 3.17Å; L114-H116 VanDerWaalsContact C-N 3.28Å; L114-H116 PolarHBondContact O-N 3.28Å; L114-H117 VanDerWaalsContact O-CB 3.29Å; L114-H117 WeakPolarHBondContact O-CB 3.31Å; L114-H117 PolarHBondContact O-N 2.73Å; L114-Y210 HydrophobicContact CD1-CD1 3.76Å; L114-Y210 HydrophobicContact CD1-CE1 4.14Å; L114-Y210 HydrophobicContact CD1-CG 4.27Å; L114-Y210 HydrophobicContact CD2-CD1 4.03Å; L114-Y210 HydrophobicContact CD2-CE1 3.64Å; L114-A213 HydrophobicContact CB-CB 4.26Å; L114-A213 HydrophobicContact CD1-CB 3.65Å; L114-I240 HydrophobicContact CB-CD1 4.22Å; L114-I240 HydrophobicContact CD1-CD1 4.48Å; L114-I240 HydrophobicContact CD2-CD1 4.22Å; L114-H252 WeakPolarHBondContact CD2-CD2 3.4Å; L114-W254 HydrophobicContact CB-CZ2 4.42Å; L114-W254 PolarHBondContact O-NE1 3.5Å
115	F	91.2	Very high	87.4	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.6	-22.2	174.8	-75.6	-86.6	0	0	0	113	I80 T111 D112 E113 H117 L120 M124 L126 A213 I216 M217 L220	I80-F115 HydrophobicContact CD1-CD1 4.21Å; I80-F115 HydrophobicContact CD1-CE1 3.76Å; I80-F115 HydrophobicContact CD1-CZ 4.1Å; T111-F115 HydrophobicContact CG2-CD2 4.38Å; T111-F115 HydrophobicContact CG2-CE2 3.98Å; T111-F115 WeakPolarHBondContact O-CD2 3.45Å; T111-F115 PolarHBondContact O-N 2.84Å; D112-F115 WeakPolarHBondContact O-CA 3.33Å; D112-F115 WeakPolarHBondContact O-CB 3.4Å; D112-F115 PolarHBondContact O-N 2.85Å; E113-F115 VanDerWaalsContact C-N 3.34Å; F115-H117 VanDerWaalsContact C-N 3.34Å; F115-L120 HydrophobicContact CD1-CD2 4.36Å; F115-L120 WeakPolarHBondContact O-CD2 3.42Å; F115-M124 HydrophobicContact CD1-CB 4.46Å; F115-M124 HydrophobicContact CD1-CG 4Å; F115-M124 HydrophobicContact CD1-SD 3.75Å; F115-M124 HydrophobicContact CE1-SD 4Å; F115-L126 HydrophobicContact CD2-CB 4.15Å; F115-L126 HydrophobicContact CD2-CD1 4.41Å; F115-L126 HydrophobicContact CE2-CD1 4.02Å; F115-A213 HydrophobicContact CE2-CB 4.12Å; F115-I216 HydrophobicContact CE1-CG2 4.23Å; F115-I216 HydrophobicContact CE2-CG2 4.39Å; F115-I216 HydrophobicContact CZ-CB 3.95Å; F115-I216 HydrophobicContact CZ-CG2 3.55Å; F115-M217 HydrophobicContact CD1-CE 4.31Å; F115-M217 HydrophobicContact CE1-CE 3.75Å; F115-M217 HydrophobicContact CZ-CE 4.49Å; F115-L220 HydrophobicContact CE1-CD1 4.14Å
116	H	84.6	Confident	87.4	Confident	65 Å²	65	26.8 Å²	26.8	30%	0.301	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.5	171.4	-63.8	127.1	0	0	0	114.3	D112 E113 L114 M124 S125	D112-H116 VanDerWaalsContact CG-CE1 3.46Å; D112-H116 PolarHBondContact O-N 3.33Å; D112-H116 VanDerWaalsContact O-N 3.13Å; D112-H116 PolarHBondContact O-ND1 2.93Å; D112-H116 IonicContact OD1-CE1 2.74Å; D112-H116 PolarHBondContact OD1-CE1 3.46Å; D112-H116 IonicContact OD1-ND1 3.98Å; D112-H116 IonicContact OD1-NE2 2.62Å; D112-H116 IonicContact OD2-CE1 2.64Å; D112-H116 PolarHBondContact OD2-CE1 3.04Å; D112-H116 VanDerWaalsContact OD2-CE1 3.31Å; D112-H116 IonicContact OD2-ND1 3.06Å; E113-H116 PolarHBondContact O-N 3.01Å; L114-H116 VanDerWaalsContact C-N 3.28Å; L114-H116 PolarHBondContact O-N 3.28Å; H116-M124 PolarHBondContact CD2-O 3.32Å; H116-M124 VanDerWaalsContact CD2-O 3.22Å; H116-M124 PolarHBondContact NE2-O 3.22Å; H116-S125 PolarHBondContact NE2-OG 3.41Å
117	H	80	Confident	87.3	Confident	53 Å²	53	27.5 Å²	27.5	25%	0.245	16%	0.157	C	C	.	.			trans	-60.5	128.4	-178.4	-171	-89.3	0	0	0	110.8	E113 L114 F115 S119 L120 H252	E113-H117 PolarHBondContact O-N 3.38Å; L114-H117 VanDerWaalsContact O-CB 3.29Å; L114-H117 WeakPolarHBondContact O-CB 3.31Å; L114-H117 PolarHBondContact O-N 2.73Å; F115-H117 VanDerWaalsContact C-N 3.34Å; H117-S119 PolarHBondContact CE1-OG 2.89Å; H117-S119 WeakPolarHBondContact ND1-CB 3.29Å; H117-S119 PolarHBondContact ND1-N 3.36Å; H117-S119 PolarHBondContact ND1-OG 3.1Å; H117-S119 PolarHBondContact O-N 3.04Å; H117-L120 VanDerWaalsContact O-CB 3.28Å; H117-L120 WeakPolarHBondContact O-CB 3.14Å; H117-L120 PolarHBondContact O-N 2.94Å; H117-H252 PolarHBondContact NE2-O 3.33Å
118	P	73.8	Confident	87.1	Confident	114 Å²	114	28.1 Å²	28.1	74%	0.74	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-56.5	-28.3	-172.3	-28.7	34.9	0	0	0	115	L120 G121	P118-L120 PolarHBondContact O-N 3.14Å; P118-G121 PolarHBondContact O-N 3.01Å
119	S	80.8	Confident	86.8	Confident	22 Å²	22	28.7 Å²	28.7	15%	0.154	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-66.2	-15.7	177.2	77.1	0	0	0	0	113.4	H117 G121 W254 R259	H117-S119 PolarHBondContact CE1-OG 2.89Å; H117-S119 WeakPolarHBondContact ND1-CB 3.29Å; H117-S119 PolarHBondContact ND1-N 3.36Å; H117-S119 PolarHBondContact ND1-OG 3.1Å; H117-S119 PolarHBondContact O-N 3.04Å; S119-G121 PolarHBondContact O-N 3.11Å; S119-W254 WeakPolarHBondContact OG-CB 3.33Å; S119-W254 PolarHBondContact OG-N 3.39Å; S119-W254 PolarHBondContact OG-O 2.78Å; S119-R259 PolarHBondContact O-NE 2.85Å; S119-R259 PolarHBondContact O-NH2 3.1Å
120	L	88	Confident	86.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-64.1	-32.4	175.2	-167.1	66.6	0	0	0	111	F115 H117 P118 V122 M124 M217 W254 T258 R259 L262	F115-L120 HydrophobicContact CD1-CD2 4.36Å; F115-L120 WeakPolarHBondContact O-CD2 3.42Å; H117-L120 VanDerWaalsContact O-CB 3.28Å; H117-L120 WeakPolarHBondContact O-CB 3.14Å; H117-L120 PolarHBondContact O-N 2.94Å; P118-L120 PolarHBondContact O-N 3.14Å; L120-V122 HydrophobicContact CD2-CG2 3.88Å; L120-V122 HydrophobicContact CG-CG2 3.79Å; L120-V122 PolarHBondContact O-N 3.49Å; L120-M124 HydrophobicContact CD2-CB 3.95Å; L120-M217 HydrophobicContact CD1-CE 3.69Å; L120-W254 HydrophobicContact CB-CG 4.27Å; L120-W254 HydrophobicContact CD1-CB 4.19Å; L120-W254 HydrophobicContact CD1-CD2 3.81Å; L120-W254 HydrophobicContact CD1-CG 3.61Å; L120-T258 HydrophobicContact CD1-CG2 4.19Å; L120-R259 VanDerWaalsContact O-CG 3.29Å; L120-R259 WeakPolarHBondContact O-CG 3.45Å; L120-L262 HydrophobicContact CD1-CD1 3.36Å; L120-L262 HydrophobicContact CD2-CD1 4.46Å; L120-L262 HydrophobicContact CG-CD1 3.97Å
121	G	80.4	Confident	87	Confident	40 Å²	40	26.1 Å²	26.1	41%	0.412	15%	0.153	S	C	.	.			trans	67.2	11.6	176.6	0	0	0	0	0	115.3	P118 S119	P118-G121 PolarHBondContact O-N 3.01Å; S119-G121 PolarHBondContact O-N 3.11Å
122	V	84.1	Confident	87.1	Confident	22 Å²	22	27.3 Å²	27.3	13%	0.133	16%	0.159	C	C	.	.	S	Bend	trans	-139.1	142.4	171.6	-63.6	0	0	0	0	108.3	L120 M124 L262 Q263 L266	L120-V122 HydrophobicContact CD2-CG2 3.88Å; L120-V122 HydrophobicContact CG-CG2 3.79Å; L120-V122 PolarHBondContact O-N 3.49Å; V122-M124 HydrophobicContact CG2-CB 4.5Å; V122-M124 PolarHBondContact O-N 2.81Å; V122-L262 HydrophobicContact CG2-CB 4.38Å; V122-L262 HydrophobicContact CG2-CD1 4.03Å; V122-Q263 HydrophobicContact CG1-CG 3.9Å; V122-L266 HydrophobicContact CB-CD1 4.07Å; V122-L266 HydrophobicContact CG1-CD1 3.62Å; V122-L266 HydrophobicContact CG2-CD1 4.49Å
123	N	81.6	Confident	87.3	Confident	51 Å²	51	27.8 Å²	27.8	27%	0.273	16%	0.158	S	C	.	.			trans	-79	103.3	175.5	-64.1	-33.2	0	0	0	108.3	E75 N77 Y78	E75-N123 WeakPolarHBondContact CB-ND2 3.44Å; E75-N123 PolarHBondContact OE2-ND2 2.84Å; N77-N123 CarbonylContact C-O 3.54Å; N77-N123 WeakPolarHBondContact CA-O 3.37Å; N77-N123 HydrophobicContact CB-CB 4.42Å; N77-N123 WeakPolarHBondContact OD1-CB 3.36Å; N77-N123 PolarHBondContact OD1-O 3.05Å; Y78-N123 PolarHBondContact N-O 3.34Å
124	M	88	Confident	87.9	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.8	-180	-170.5	169.9	-76.3	0	0	109.2	N77 Y78 I80 F115 H116 L120 V122 L220 L262 L274	N77-M124 PolarHBondContact OD1-N 3.08Å; Y78-M124 CarbonylContact O-C 3.54Å; Y78-M124 VanDerWaalsContact O-CA 3.27Å; Y78-M124 WeakPolarHBondContact O-CA 3.35Å; I80-M124 HydrophobicContact CD1-CG 4.15Å; I80-M124 HydrophobicContact CD1-SD 3.74Å; I80-M124 HydrophobicContact CG1-CG 4.23Å; I80-M124 HydrophobicContact CG1-SD 4.23Å; F115-M124 HydrophobicContact CD1-CB 4.46Å; F115-M124 HydrophobicContact CD1-CG 4Å; F115-M124 HydrophobicContact CD1-SD 3.75Å; F115-M124 HydrophobicContact CE1-SD 4Å; H116-M124 PolarHBondContact CD2-O 3.32Å; H116-M124 VanDerWaalsContact CD2-O 3.22Å; H116-M124 PolarHBondContact NE2-O 3.22Å; L120-M124 HydrophobicContact CD2-CB 3.95Å; V122-M124 HydrophobicContact CG2-CB 4.5Å; V122-M124 PolarHBondContact O-N 2.81Å; M124-L220 HydrophobicContact CE-CD1 4.32Å; M124-L220 HydrophobicContact CE-CD2 4.43Å; M124-L220 HydrophobicContact SD-CD1 3.76Å; M124-L262 HydrophobicContact CE-CD2 4.5Å; M124-L274 HydrophobicContact CE-CD1 4.31Å
125	S	89.1	Confident	88.2	Confident	7 Å²	7	27.4 Å²	27.4	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.4	-180	-48	0	0	0	0	109.7	N77 Y78 W79 I80 D112 H116	N77-S125 PolarHBondContact ND2-OG 3.43Å; N77-S125 PolarHBondContact OD1-OG 2.94Å; Y78-S125 PolarHBondContact O-N 3.16Å; W79-S125 CarbonylContact C-O 3.51Å; W79-S125 VanDerWaalsContact CA-O 3.3Å; W79-S125 WeakPolarHBondContact CA-O 3.31Å; I80-S125 PolarHBondContact N-O 3.4Å; D112-S125 WeakPolarHBondContact OD1-CA 3.2Å; H116-S125 PolarHBondContact NE2-OG 3.41Å
126	L	92.4	Very high	88.4	Confident	6 Å²	6	33 Å²	33	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127	171.5	-175.3	150.1	0	0	0	109.2	M108 T111 D112 F115 V128 I216	M108-L126 HydrophobicContact CE-CD1 4.03Å; M108-L126 HydrophobicContact CE-CD2 3.39Å; M108-L126 HydrophobicContact CE-CG 4.36Å; T111-L126 HydrophobicContact CG2-CD1 3.79Å; D112-L126 HydrophobicContact CB-CB 4.15Å; D112-L126 PolarHBondContact OD1-N 2.86Å; F115-L126 HydrophobicContact CD2-CB 4.15Å; F115-L126 HydrophobicContact CD2-CD1 4.41Å; F115-L126 HydrophobicContact CE2-CD1 4.02Å; L126-V128 HydrophobicContact CD2-CG2 4.4Å; L126-I216 HydrophobicContact CD1-CD1 3.39Å
127	V	89.6	Confident	88.9	Confident	20 Å²	20	33 Å²	33	12%	0.121	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.6	-175.8	-179.7	0	0	0	0	110.8	I80 E81 T82 Q129 P278 F280	I80-V127 PolarHBondContact O-N 3.14Å; E81-V127 CarbonylContact C-O 3.51Å; T82-V127 PolarHBondContact N-O 2.83Å; V127-Q129 PolarHBondContact O-N 3.2Å; V127-P278 HydrophobicContact CB-CB 4.2Å; V127-P278 HydrophobicContact CB-CG 4.22Å; V127-P278 HydrophobicContact CG1-CB 3.98Å; V127-P278 HydrophobicContact CG1-CG 4.08Å; V127-P278 HydrophobicContact CG2-CB 4.33Å; V127-P278 HydrophobicContact CG2-CG 3.82Å; V127-F280 HydrophobicContact CG1-CB 3.51Å; V127-F280 HydrophobicContact CG1-CD1 3.52Å; V127-F280 HydrophobicContact CG1-CE1 4.46Å; V127-F280 HydrophobicContact CG1-CG 3.63Å
128	V	91.3	Very high	89.6	Confident	14 Å²	14	34 Å²	34	9%	0.085	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.3	177.7	179.9	0	0	0	0	110.4	T82 V84 M108 L126 I131 Y284	T82-V128 WeakPolarHBondContact O-CA 3.44Å; V84-V128 HydrophobicContact CG2-CG1 4.13Å; V84-V128 HydrophobicContact CG2-CG2 4.3Å; M108-V128 HydrophobicContact CB-CG2 3.52Å; M108-V128 HydrophobicContact CE-CG2 4.5Å; M108-V128 HydrophobicContact CG-CG2 3.7Å; L126-V128 HydrophobicContact CD2-CG2 4.4Å; V128-I131 HydrophobicContact CG1-CG1 4.08Å; V128-Y284 HydrophobicContact CB-CG 4.26Å; V128-Y284 HydrophobicContact CG1-CD1 4.1Å; V128-Y284 HydrophobicContact CG1-CD2 4.22Å; V128-Y284 HydrophobicContact CG1-CG 3.91Å
129	Q	86.9	Confident	90.6	Very high	15 Å²	15	28.5 Å²	28.5	7%	0.07	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-51.3	176.2	-76.2	-65.3	-27.6	0	0	112.2	E81 T82 L83 V127 I279 Y284	E81-Q129 HydrophobicContact CB-CG 3.92Å; E81-Q129 PolarHBondContact OE1-NE2 2.86Å; T82-Q129 PolarHBondContact O-N 2.96Å; L83-Q129 HydrophobicContact CD1-CB 4.47Å; V127-Q129 PolarHBondContact O-N 3.2Å; Q129-I279 PolarHBondContact OE1-O 2.86Å; Q129-Y284 WeakPolarHBondContact O-CE2 3.45Å
130	D	90.9	Very high	91.2	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	165.1	177.3	-152.1	-25.4	0	0	0	109.1	L83 V84 I132 Y167 K281 Y284	L83-D130 HydrophobicContact CD1-CB 3.59Å; V84-D130 PolarHBondContact N-O 2.84Å; V84-D130 VanDerWaalsContact N-O 3.08Å; D130-I132 HydrophobicContact CB-CD1 4.24Å; D130-Y167 HydrophobicContact CB-CD1 3.95Å; D130-Y167 HydrophobicContact CB-CE1 3.5Å; D130-Y167 WeakPolarHBondContact OD2-CE1 3.34Å; D130-Y167 PolarHBondContact OD2-OH 2.73Å; D130-K281 IonicContact OD1-NZ 3.13Å; D130-K281 PolarHBondContact OD1-NZ 2.77Å; D130-K281 VanDerWaalsContact OD1-NZ 3.09Å; D130-K281 WeakPolarHBondContact OD2-CE 3.4Å; D130-K281 IonicContact OD2-NZ 2.87Å; D130-K281 PolarHBondContact OD2-NZ 2.74Å; D130-Y284 PolarHBondContact OD1-OH 2.9Å
131	I	93.6	Very high	91.4	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.046	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	110.6	171.4	-60.1	170.6	0	0	0	108.5	V84 E101 V104 K105 V128 W133 Y284	V84-I131 HydrophobicContact CB-CG1 4.39Å; V84-I131 CarbonylContact O-C 3.55Å; V84-I131 WeakPolarHBondContact O-CA 3.37Å; E101-I131 HydrophobicContact CG-CD1 3.87Å; V104-I131 HydrophobicContact CB-CD1 4Å; V104-I131 HydrophobicContact CG1-CD1 3.66Å; V104-I131 HydrophobicContact CG1-CG1 4.05Å; V104-I131 HydrophobicContact CG1-CG2 4.21Å; K105-I131 HydrophobicContact CG-CD1 3.94Å; V128-I131 HydrophobicContact CG1-CG1 4.08Å; I131-W133 HydrophobicContact CG2-CZ2 4.2Å; I131-Y284 HydrophobicContact CB-CE1 4.38Å; I131-Y284 HydrophobicContact CD1-CD1 3.92Å; I131-Y284 HydrophobicContact CD1-CE1 3.73Å; I131-Y284 HydrophobicContact CG1-CD1 4.22Å; I131-Y284 HydrophobicContact CG1-CE1 3.82Å
132	I	95.4	Very high	92.1	Very high	26 Å²	26	36.9 Å²	36.9	13%	0.133	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.1	180	-50.5	-55.6	0	0	0	109.4	L83 V84 F85 A86 D130 Y167	L83-I132 HydrophobicContact CD1-CD1 4.32Å; L83-I132 HydrophobicContact CD1-CG1 3.88Å; L83-I132 HydrophobicContact CD2-CG1 4.41Å; L83-I132 HydrophobicContact CG-CG1 4.25Å; V84-I132 PolarHBondContact O-N 3.44Å; F85-I132 CarbonylContact C-O 3.45Å; F85-I132 VanDerWaalsContact CA-O 3.26Å; F85-I132 WeakPolarHBondContact CA-O 3.46Å; F85-I132 HydrophobicContact CD1-CB 3.59Å; F85-I132 HydrophobicContact CD1-CG1 4.16Å; F85-I132 HydrophobicContact CD1-CG2 3.81Å; F85-I132 HydrophobicContact CE1-CB 3.86Å; F85-I132 HydrophobicContact CE1-CG1 3.96Å; F85-I132 HydrophobicContact CE1-CG2 3.95Å; F85-I132 HydrophobicContact CG-CB 4.33Å; A86-I132 PolarHBondContact N-O 2.95Å; D130-I132 HydrophobicContact CB-CD1 4.24Å; I132-Y167 HydrophobicContact CD1-CE2 3.92Å; I132-Y167 WeakPolarHBondContact CD1-OH 3.48Å
133	W	96.6	Very high	92.5	Very high	43 Å²	43	37.1 Å²	37.1	16%	0.163	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.4	177.5	-65.6	88.1	0	0	0	109.9	A86 V90 M91 K97 A100 E101 V104 I131	A86-W133 HydrophobicContact CB-CE3 3.83Å; A86-W133 HydrophobicContact CB-CH2 4.15Å; A86-W133 HydrophobicContact CB-CZ3 3.59Å; A86-W133 CarbonylContact O-C 3.52Å; A86-W133 WeakPolarHBondContact O-CA 3.33Å; V90-W133 HydrophobicContact CG1-CZ3 4.46Å; M91-W133 HydrophobicContact CB-CE3 3.63Å; M91-W133 HydrophobicContact CB-CZ3 3.56Å; M91-W133 HydrophobicContact CG-CE3 3.94Å; M91-W133 HydrophobicContact CG-CZ3 4.03Å; M91-W133 HydrophobicContact SD-CD2 4.45Å; M91-W133 HydrophobicContact SD-CE3 4.23Å; K97-W133 HydrophobicContact CG-CZ2 4.47Å; A100-W133 HydrophobicContact CB-CH2 3.38Å; A100-W133 HydrophobicContact CB-CZ2 3.93Å; A100-W133 HydrophobicContact CB-CZ3 4.16Å; E101-W133 HydrophobicContact CB-CZ2 4.13Å; V104-W133 HydrophobicContact CG2-CH2 4.16Å; I131-W133 HydrophobicContact CG2-CZ2 4.2Å
134	V	97	Very high	92.6	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.1	-175	-178	0	0	0	0	110	F85 A86 D87 H88 E138 L142 W158 F174	F85-V134 HydrophobicContact CB-CG2 3.96Å; F85-V134 HydrophobicContact CD1-CG2 3.9Å; F85-V134 HydrophobicContact CG-CG2 4.43Å; A86-V134 PolarHBondContact O-N 2.88Å; D87-V134 CarbonylContact C-O 3.59Å; D87-V134 WeakPolarHBondContact CA-O 3.27Å; D87-V134 HydrophobicContact CB-CB 4.33Å; H88-V134 PolarHBondContact N-O 3.42Å; V134-E138 HydrophobicContact CG1-CB 3.56Å; V134-L142 HydrophobicContact CG1-CD1 4.26Å; V134-W158 HydrophobicContact CG2-CH2 3.99Å; V134-W158 HydrophobicContact CG2-CZ3 4.42Å; V134-F174 HydrophobicContact CB-CE2 4.09Å; V134-F174 HydrophobicContact CG1-CE2 4.13Å; V134-F174 HydrophobicContact CG2-CE2 3.95Å
135	S	96.2	Very high	92.4	Very high	51 Å²	51	43.4 Å²	43.4	36%	0.357	24%	0.238	S	C	.	.			trans	-67	162.1	-179.5	68.6	0	0	0	0	112.1	A137 E138 S139	S135-A137 VanDerWaalsContact C-N 3.29Å; S135-A137 PolarHBondContact O-N 2.82Å; S135-E138 WeakPolarHBondContact CB-OE2 3.31Å; S135-E138 PolarHBondContact N-OE2 3.32Å; S135-E138 VanDerWaalsContact N-OE2 3.08Å; S135-E138 PolarHBondContact O-N 3.19Å; S135-E138 VanDerWaalsContact OG-CD 3.32Å; S135-E138 WeakPolarHBondContact OG-CG 3.24Å; S135-E138 PolarHBondContact OG-N 2.88Å; S135-E138 PolarHBondContact OG-OE2 2.8Å; S135-S139 WeakPolarHBondContact O-CB 3.32Å; S135-S139 PolarHBondContact O-N 3.33Å
136	E	95.7	Very high	92.1	Very high	117 Å²	117	48.7 Å²	48.7	55%	0.547	27%	0.27	S	S	.	.	H	α-helix	trans	-58.4	-41.8	174.9	179.8	175.8	-179.3	0	0	112.3	H88 S139 N140	H88-E136 HydrophobicContact CB-CB 4.4Å; H88-E136 WeakPolarHBondContact ND1-CA 3.4Å; E136-S139 PolarHBondContact O-N 3.28Å; E136-N140 WeakPolarHBondContact O-CB 3.43Å; E136-N140 VanDerWaalsContact O-CG 3.24Å; E136-N140 PolarHBondContact O-N 2.84Å; E136-N140 PolarHBondContact O-ND2 2.98Å; E136-N140 VanDerWaalsContact O-ND2 3.14Å
137	A	95.3	Very high	92.1	Very high	64 Å²	64	50.3 Å²	50.3	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-48.1	178.9	0	0	0	0	0	111.8	S135 N140 E141	S135-A137 VanDerWaalsContact C-N 3.29Å; S135-A137 PolarHBondContact O-N 2.82Å; A137-N140 PolarHBondContact O-N 3.44Å; A137-E141 PolarHBondContact O-N 3.33Å
138	E	95	Very high	92.2	Very high	74 Å²	74	50.5 Å²	50.5	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-43.2	177.5	-69.1	164.1	134.1	0	0	111.6	V134 S135 N140 E141 L142	V134-E138 HydrophobicContact CG1-CB 3.56Å; S135-E138 WeakPolarHBondContact CB-OE2 3.31Å; S135-E138 PolarHBondContact N-OE2 3.32Å; S135-E138 VanDerWaalsContact N-OE2 3.08Å; S135-E138 PolarHBondContact O-N 3.19Å; S135-E138 VanDerWaalsContact OG-CD 3.32Å; S135-E138 WeakPolarHBondContact OG-CG 3.24Å; S135-E138 PolarHBondContact OG-N 2.88Å; S135-E138 PolarHBondContact OG-OE2 2.8Å; E138-N140 VanDerWaalsContact C-N 3.3Å; E138-N140 PolarHBondContact O-N 3.38Å; E138-E141 PolarHBondContact O-N 2.85Å; E138-E141 VanDerWaalsContact O-N 3.08Å; E138-L142 VanDerWaalsContact O-CG 3.28Å; E138-L142 WeakPolarHBondContact O-CG 3.4Å; E138-L142 PolarHBondContact O-N 2.72Å
139	S	95	Very high	92.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-42.4	177.3	-175.5	0	0	0	0	111.6	D87 S135 E136 E141 L142 L143	D87-S139 PolarHBondContact OD2-OG 3.02Å; S135-S139 WeakPolarHBondContact O-CB 3.32Å; S135-S139 PolarHBondContact O-N 3.33Å; E136-S139 PolarHBondContact O-N 3.28Å; S139-E141 VanDerWaalsContact C-N 3.31Å; S139-E141 PolarHBondContact O-N 3.13Å; S139-L142 PolarHBondContact O-N 3.12Å; S139-L143 WeakPolarHBondContact O-CB 3.4Å; S139-L143 WeakPolarHBondContact O-CG 3.31Å; S139-L143 PolarHBondContact O-N 2.72Å
140	N	93.1	Very high	92.5	Very high	93 Å²	93	61.3 Å²	61.3	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-28.7	176.6	-73	-30.3	0	0	0	113.6	E136 A137 E138	E136-N140 WeakPolarHBondContact O-CB 3.43Å; E136-N140 VanDerWaalsContact O-CG 3.24Å; E136-N140 PolarHBondContact O-N 2.84Å; E136-N140 PolarHBondContact O-ND2 2.98Å; E136-N140 VanDerWaalsContact O-ND2 3.14Å; A137-N140 PolarHBondContact O-N 3.44Å; E138-N140 VanDerWaalsContact C-N 3.3Å; E138-N140 PolarHBondContact O-N 3.38Å
141	E	93.2	Very high	92.7	Very high	138 Å²	138	60.8 Å²	60.8	65%	0.645	33%	0.325	S	S	*	.	H	α-helix	trans	-75.9	-36.4	173.9	-71.6	-177.2	-176.1	0	0	112.2	A137 E138 S139 R154	A137-E141 PolarHBondContact O-N 3.33Å; E138-E141 PolarHBondContact O-N 2.85Å; E138-E141 VanDerWaalsContact O-N 3.08Å; S139-E141 VanDerWaalsContact C-N 3.31Å; S139-E141 PolarHBondContact O-N 3.13Å; E141-R154 PolarHBondContact O-NH1 3.29Å
142	L	94.3	Very high	92.8	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-71.5	-48.1	178.7	-69.5	177.3	0	0	0	112.1	V134 E138 S139 W144 S151 F155 W158 F174	V134-L142 HydrophobicContact CG1-CD1 4.26Å; E138-L142 VanDerWaalsContact O-CG 3.28Å; E138-L142 WeakPolarHBondContact O-CG 3.4Å; E138-L142 PolarHBondContact O-N 2.72Å; S139-L142 PolarHBondContact O-N 3.12Å; L142-W144 PolarHBondContact O-N 3.41Å; L142-S151 WeakPolarHBondContact O-CA 3.3Å; L142-F155 HydrophobicContact CD1-CD2 4.45Å; L142-W158 HydrophobicContact CD1-CD2 4.11Å; L142-W158 HydrophobicContact CD1-CE3 3.89Å; L142-W158 HydrophobicContact CD1-CZ3 4.12Å; L142-W158 HydrophobicContact CD2-CB 3.53Å; L142-W158 HydrophobicContact CD2-CD2 3.91Å; L142-W158 HydrophobicContact CD2-CE3 4.18Å; L142-W158 HydrophobicContact CD2-CG 3.62Å; L142-W158 HydrophobicContact CG-CD2 4.5Å; L142-F174 HydrophobicContact CD1-CD2 4.45Å; L142-F174 HydrophobicContact CD1-CE2 3.91Å; L142-F174 HydrophobicContact CD1-CZ 4.27Å
143	L	92.6	Very high	92.7	Very high	26 Å²	26	64.1 Å²	64.1	14%	0.136	34%	0.34	C	S	.	.	S	Bend	trans	-83.7	99.9	-177.5	-62.8	-179.1	0	0	0	111	S139 G145 F174 N178 I179	S139-L143 WeakPolarHBondContact O-CB 3.4Å; S139-L143 WeakPolarHBondContact O-CG 3.31Å; S139-L143 PolarHBondContact O-N 2.72Å; L143-G145 PolarHBondContact O-N 3.47Å; L143-G145 VanDerWaalsContact O-N 3.1Å; L143-F174 HydrophobicContact CD1-CE1 4.18Å; L143-F174 HydrophobicContact CD2-CD1 4.38Å; L143-F174 HydrophobicContact CD2-CE1 3.88Å; L143-F174 HydrophobicContact CG-CE1 4.06Å; L143-N178 HydrophobicContact CD1-CB 3.77Å; L143-I179 HydrophobicContact CD2-CD1 4.48Å; L143-I179 HydrophobicContact CD2-CG1 4.05Å
144	W	84	Confident	92.6	Very high	121 Å²	121	66.4 Å²	66.4	46%	0.458	35%	0.348	S	S	.	.			trans	-85.7	82.5	-178	-173.3	-91.4	0	0	0	112.3	L142 V146 S147 R150 S151	L142-W144 PolarHBondContact O-N 3.41Å; W144-V146 PolarHBondContact O-N 2.84Å; W144-S147 PolarHBondContact O-N 2.02Å; W144-S147 VanDerWaalsContact O-N 3.15Å; W144-R150 HydrophobicContact CB-CB 4.13Å; W144-R150 HydrophobicContact CG-CB 4.31Å; W144-S151 PolarHBondContact N-OG 3.45Å
145	G	83	Confident	92.5	Very high	63 Å²	63	66.2 Å²	66.2	65%	0.649	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	-130.1	179.3	0	0	0	0	0	111.3	L143	L143-G145 PolarHBondContact O-N 3.47Å; L143-G145 VanDerWaalsContact O-N 3.1Å
146	V	83.7	Confident	92.5	Very high	119 Å²	119	64 Å²	64	72%	0.721	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	5.9	-179	-60.2	0	0	0	0	114.4	W144 L148 Q181	W144-V146 PolarHBondContact O-N 2.84Å; V146-L148 PolarHBondContact O-N 3.14Å; V146-Q181 HydrophobicContact CB-CG 4.25Å; V146-Q181 PolarHBondContact O-OE1 2.85Å; V146-Q181 VanDerWaalsContact O-OE1 3.12Å
147	S	92	Very high	92.3	Very high	40 Å²	40	63 Å²	63	28%	0.28	33%	0.33	S	S	.	.			trans	-95.2	91	-172.9	-174	0	0	0	0	111.7	W144 I149 R150 S151	W144-S147 PolarHBondContact O-N 2.02Å; W144-S147 VanDerWaalsContact O-N 3.15Å; S147-I149 VanDerWaalsContact C-N 3.27Å; S147-I149 PolarHBondContact O-N 3.26Å; S147-R150 PolarHBondContact O-N 2.88Å; S147-R150 VanDerWaalsContact O-N 3.08Å; S147-R150 WeakPolarHBondContact OG-CG 3.41Å; S147-S151 PolarHBondContact O-N 2.56Å; S147-S151 PolarHBondContact O-OG 2.91Å; S147-S151 VanDerWaalsContact O-OG 3.07Å
148	L	90.6	Very high	92.2	Very high	24 Å²	24	61.5 Å²	61.5	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-54.4	-40.5	177	-66.5	-176.2	0	0	0	113.2	V146 R150 S151 V152 I179 Q181 A182 I185	V146-L148 PolarHBondContact O-N 3.14Å; L148-R150 PolarHBondContact O-N 2.86Å; L148-S151 PolarHBondContact O-N 3.15Å; L148-V152 WeakPolarHBondContact O-CG1 3.44Å; L148-V152 PolarHBondContact O-N 2.95Å; L148-I179 HydrophobicContact CD2-CG2 3.81Å; L148-Q181 HydrophobicContact CD1-CB 4.01Å; L148-Q181 HydrophobicContact CG-CB 4.17Å; L148-A182 HydrophobicContact CD1-CB 3.61Å; L148-I185 HydrophobicContact CB-CB 4.49Å; L148-I185 HydrophobicContact CB-CD1 4.03Å; L148-I185 HydrophobicContact CB-CG2 3.99Å
149	I	91.9	Very high	92.2	Very high	111 Å²	111	58 Å²	58	57%	0.569	29%	0.294	S	S	*	.	H	α-helix	trans	-60.1	-45.4	177	-61.3	172.5	0	0	0	111.1	S147 V152 H153 I185	S147-I149 VanDerWaalsContact C-N 3.27Å; S147-I149 PolarHBondContact O-N 3.26Å; I149-V152 WeakPolarHBondContact O-CG1 3.34Å; I149-H153 PolarHBondContact O-CD2 2.93Å; I149-H153 PolarHBondContact O-N 3.28Å; I149-I185 HydrophobicContact CG1-CD1 4.07Å
150	R	93.2	Very high	91.9	Very high	145 Å²	145	58.8 Å²	58.8	55%	0.547	30%	0.299	S	S	.	.	H	α-helix	trans	-69.7	-39	178.6	-71	-178.4	-177.9	-171	4.2	111.4	W144 S147 L148 R154	W144-R150 HydrophobicContact CB-CB 4.13Å; W144-R150 HydrophobicContact CG-CB 4.31Å; S147-R150 PolarHBondContact O-N 2.88Å; S147-R150 VanDerWaalsContact O-N 3.08Å; S147-R150 WeakPolarHBondContact OG-CG 3.41Å; L148-R150 PolarHBondContact O-N 2.86Å; R150-R154 WeakPolarHBondContact O-CG 3.41Å; R150-R154 PolarHBondContact O-N 3.34Å
151	S	95.4	Very high	91.5	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-46.3	178.2	-58.3	0	0	0	0	111.8	L142 W144 S147 L148 H153 R154 F155	L142-S151 WeakPolarHBondContact O-CA 3.3Å; W144-S151 PolarHBondContact N-OG 3.45Å; S147-S151 PolarHBondContact O-N 2.56Å; S147-S151 PolarHBondContact O-OG 2.91Å; S147-S151 VanDerWaalsContact O-OG 3.07Å; L148-S151 PolarHBondContact O-N 3.15Å; S151-H153 PolarHBondContact O-N 3.23Å; S151-R154 PolarHBondContact O-N 3.49Å; S151-F155 WeakPolarHBondContact O-CB 3.43Å; S151-F155 PolarHBondContact O-N 2.98Å
152	V	94.9	Very high	91.2	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-39.7	-178.7	71.1	0	0	0	0	111.3	L148 I149 R154 F155 C156 I185 P187 C198 L200	L148-V152 WeakPolarHBondContact O-CG1 3.44Å; L148-V152 PolarHBondContact O-N 2.95Å; I149-V152 WeakPolarHBondContact O-CG1 3.34Å; V152-R154 PolarHBondContact O-N 2.82Å; V152-F155 PolarHBondContact O-N 2.05Å; V152-C156 WeakPolarHBondContact O-CB 3.41Å; V152-C156 PolarHBondContact O-N 3.31Å; V152-I185 HydrophobicContact CB-CG2 3.96Å; V152-I185 HydrophobicContact CG1-CD1 4.42Å; V152-I185 HydrophobicContact CG1-CG2 4.37Å; V152-I185 HydrophobicContact CG2-CG2 4.34Å; V152-P187 HydrophobicContact CG2-CG 4.23Å; V152-C198 VanDerWaalsContact CG2-SG 3.56Å; V152-C198 PolarHBondContact O-SG 2.79Å; V152-L200 HydrophobicContact CB-CD1 3.88Å; V152-L200 HydrophobicContact CB-CG 3.91Å; V152-L200 HydrophobicContact CG2-CG 4.06Å
153	H	93.3	Very high	90.9	Very high	101 Å²	101	58.9 Å²	58.9	47%	0.468	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-40.5	174.3	-86	-99.9	0	0	0	112.8	I149 S151 N157	I149-H153 PolarHBondContact O-CD2 2.93Å; I149-H153 PolarHBondContact O-N 3.28Å; S151-H153 PolarHBondContact O-N 3.23Å; H153-N157 WeakPolarHBondContact O-CB 3.15Å; H153-N157 PolarHBondContact O-N 2.88Å
154	R	94.7	Very high	90.3	Very high	90 Å²	90	58 Å²	58	34%	0.34	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-47.5	175.6	-76.9	176.4	176.2	-142.8	-3.9	111.7	E141 R150 S151 V152 N157 W158	E141-R154 PolarHBondContact O-NH1 3.29Å; R150-R154 WeakPolarHBondContact O-CG 3.41Å; R150-R154 PolarHBondContact O-N 3.34Å; S151-R154 PolarHBondContact O-N 3.49Å; V152-R154 PolarHBondContact O-N 2.82Å; R154-N157 PolarHBondContact O-N 2.88Å; R154-W158 VanDerWaalsContact O-CB 3.25Å; R154-W158 WeakPolarHBondContact O-CB 3.22Å; R154-W158 PolarHBondContact O-N 3.46Å
155	F	96.2	Very high	89.6	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-51.5	178.3	169.9	-118.6	0	0	0	112.1	F85 L142 S151 V152 N157 W158 A159 A172 F174 C198 T199 L200	F85-F155 HydrophobicContact CB-CE2 4.22Å; F85-F155 HydrophobicContact CD1-CE2 4.49Å; F85-F155 AromaticContact CD2-CE2 3.59Å; F85-F155 HydrophobicContact CD2-CE2 3.59Å; F85-F155 AromaticContact CD2-CZ 3.56Å; F85-F155 HydrophobicContact CD2-CZ 3.56Å; F85-F155 AromaticContact CE2-CE2 3.98Å; F85-F155 HydrophobicContact CE2-CE2 3.98Å; F85-F155 AromaticContact CE2-CZ 3.98Å; F85-F155 HydrophobicContact CE2-CZ 3.98Å; F85-F155 AromaticContact CG-CE2 3.86Å; F85-F155 HydrophobicContact CG-CE2 3.86Å; F85-F155 HydrophobicContact CG-CZ 4.22Å; L142-F155 HydrophobicContact CD1-CD2 4.45Å; S151-F155 WeakPolarHBondContact O-CB 3.43Å; S151-F155 PolarHBondContact O-N 2.98Å; V152-F155 PolarHBondContact O-N 2.05Å; F155-N157 VanDerWaalsContact C-N 3.29Å; F155-N157 PolarHBondContact O-N 3.03Å; F155-W158 HydrophobicContact CD2-CE3 4.15Å; F155-W158 HydrophobicContact CE2-CE3 4.36Å; F155-W158 HydrophobicContact CE2-CZ3 4.36Å; F155-W158 PolarHBondContact O-N 2.96Å; F155-W158 VanDerWaalsContact O-N 3.15Å; F155-A159 HydrophobicContact CD2-CB 4.36Å; F155-A159 HydrophobicContact CE2-CB 3.93Å; F155-A159 HydrophobicContact CZ-CB 4.28Å; F155-A159 WeakPolarHBondContact O-CB 3.28Å; F155-A159 PolarHBondContact O-N 3.12Å; F155-A172 HydrophobicContact CE1-CB 3.99Å; F155-A172 HydrophobicContact CZ-CB 3.7Å; F155-F174 HydrophobicContact CD1-CB 3.85Å; F155-F174 HydrophobicContact CD2-CB 3.91Å; F155-F174 HydrophobicContact CD2-CD2 4.05Å; F155-F174 HydrophobicContact CD2-CG 4.17Å; F155-F174 HydrophobicContact CE1-CB 3.62Å; F155-F174 HydrophobicContact CE2-CB 3.71Å; F155-F174 AromaticContact CE2-CD2 3.98Å; F155-F174 HydrophobicContact CE2-CD2 3.98Å; F155-F174 HydrophobicContact CE2-CG 4.22Å; F155-F174 HydrophobicContact CG-CB 3.98Å; F155-F174 HydrophobicContact CG-CG 4.46Å; F155-F174 HydrophobicContact CZ-CB 3.56Å; F155-C198 HydrophobicContact CD1-CB 3.82Å; F155-C198 HydrophobicContact CE1-CB 3.65Å; F155-T199 WeakPolarHBondContact CE1-O 3.22Å; F155-L200 HydrophobicContact CB-CD2 3.76Å; F155-L200 HydrophobicContact CD1-CD2 3.52Å; F155-L200 HydrophobicContact CE1-CD2 4.34Å; F155-L200 HydrophobicContact CG-CD2 3.77Å
156	C	94.6	Very high	89.1	Confident	4 Å²	4	58 Å²	58	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-50	-50	175.5	-91.4	0	0	0	0	111.5	V152 L160 Q195 C198	V152-C156 WeakPolarHBondContact O-CB 3.41Å; V152-C156 PolarHBondContact O-N 3.31Å; C156-L160 VanDerWaalsContact O-CB 3.24Å; C156-L160 WeakPolarHBondContact O-CB 3.37Å; C156-L160 PolarHBondContact O-N 2.73Å; C156-Q195 WeakPolarHBondContact CB-O 3.47Å; C156-C198 WeakPolarHBondContact CA-SG 3.28Å; C156-C198 HydrophobicContact CB-CB 4.11Å; C156-C198 WeakPolarHBondContact CB-SG 3.38Å; C156-C198 WeakPolarHBondContact SG-CB 3.26Å; C156-C198 CovalentContact SG-SG 2.02Å; C156-C198 PolarHBondContact SG-SG 3.38Å
157	N	92.5	Very high	88.9	Confident	96 Å²	96	53.6 Å²	53.6	51%	0.513	25%	0.253	S	S	.	.	H	α-helix	trans	-68	-41.9	-179.8	-173.4	26.8	0	0	0	112.6	H153 R154 F155 L160 T161	H153-N157 WeakPolarHBondContact O-CB 3.15Å; H153-N157 PolarHBondContact O-N 2.88Å; R154-N157 PolarHBondContact O-N 2.88Å; F155-N157 VanDerWaalsContact C-N 3.29Å; F155-N157 PolarHBondContact O-N 3.03Å; N157-L160 PolarHBondContact O-N 2.79Å; N157-T161 WeakPolarHBondContact O-CB 3.26Å; N157-T161 VanDerWaalsContact O-CG2 3.28Å; N157-T161 WeakPolarHBondContact O-CG2 3.08Å; N157-T161 PolarHBondContact O-N 3.26Å; N157-T161 PolarHBondContact O-OG1 3.42Å
158	W	94	Very high	88.2	Confident	32 Å²	32	52.5 Å²	52.5	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-47	179.1	174.8	89	0	0	0	111.9	F85 V134 L142 R154 F155 L160 T161 H162 H163	F85-W158 AromaticContact CD1-CH2 3.83Å; F85-W158 HydrophobicContact CD1-CH2 3.83Å; F85-W158 AromaticContact CD1-CZ3 3.48Å; F85-W158 HydrophobicContact CD1-CZ3 3.48Å; F85-W158 VanDerWaalsContact CD1-CZ3 3.48Å; F85-W158 HydrophobicContact CE1-CE3 4.41Å; F85-W158 AromaticContact CE1-CH2 3.73Å; F85-W158 HydrophobicContact CE1-CH2 3.73Å; F85-W158 AromaticContact CE1-CZ3 3.36Å; F85-W158 HydrophobicContact CE1-CZ3 3.36Å; F85-W158 HydrophobicContact CG-CZ3 4.33Å; F85-W158 HydrophobicContact CZ-CZ3 4.11Å; V134-W158 HydrophobicContact CG2-CH2 3.99Å; V134-W158 HydrophobicContact CG2-CZ3 4.42Å; L142-W158 HydrophobicContact CD1-CD2 4.11Å; L142-W158 HydrophobicContact CD1-CE3 3.89Å; L142-W158 HydrophobicContact CD1-CZ3 4.12Å; L142-W158 HydrophobicContact CD2-CB 3.53Å; L142-W158 HydrophobicContact CD2-CD2 3.91Å; L142-W158 HydrophobicContact CD2-CE3 4.18Å; L142-W158 HydrophobicContact CD2-CG 3.62Å; L142-W158 HydrophobicContact CG-CD2 4.5Å; R154-W158 VanDerWaalsContact O-CB 3.25Å; R154-W158 WeakPolarHBondContact O-CB 3.22Å; R154-W158 PolarHBondContact O-N 3.46Å; F155-W158 HydrophobicContact CD2-CE3 4.15Å; F155-W158 HydrophobicContact CE2-CE3 4.36Å; F155-W158 HydrophobicContact CE2-CZ3 4.36Å; F155-W158 PolarHBondContact O-N 2.96Å; F155-W158 VanDerWaalsContact O-N 3.15Å; W158-L160 VanDerWaalsContact C-N 3.32Å; W158-L160 PolarHBondContact O-N 3Å; W158-T161 WeakPolarHBondContact CA-OG1 3.45Å; W158-T161 PolarHBondContact O-N 3.47Å; W158-T161 PolarHBondContact O-OG1 3.06Å; W158-H162 AromaticContact CD1-CE1 3.39Å; W158-H162 AromaticContact CD1-ND1 3.35Å; W158-H162 VanDerWaalsContact CD1-ND1 3.35Å; W158-H162 AromaticContact CG-ND1 3.79Å; W158-H162 AromaticContact NE1-CE1 3.76Å; W158-H162 AromaticContact NE1-CG 3.93Å; W158-H162 AromaticContact NE1-ND1 3.62Å; W158-H162 WeakPolarHBondContact O-CB 3.43Å; W158-H162 PolarHBondContact O-N 3.22Å; W158-H162 PolarHBondContact O-ND1 3.18Å; W158-H163 AromaticContact CH2-CD2 3.84Å; W158-H163 AromaticContact CH2-NE2 3.37Å; W158-H163 WeakPolarHBondContact CH2-NE2 3.04Å; W158-H163 AromaticContact CZ2-NE2 3.59Å; W158-H163 AromaticContact CZ3-CD2 3.98Å; W158-H163 AromaticContact CZ3-NE2 3.99Å
159	A	93.1	Very high	88.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-43.6	176.4	0	0	0	0	0	111	F85 F155 T161 H163 Y164 Y169 A172	F85-A159 HydrophobicContact CE2-CB 3.98Å; F85-A159 HydrophobicContact CZ-CB 3.88Å; F155-A159 HydrophobicContact CD2-CB 4.36Å; F155-A159 HydrophobicContact CE2-CB 3.93Å; F155-A159 HydrophobicContact CZ-CB 4.28Å; F155-A159 WeakPolarHBondContact O-CB 3.28Å; F155-A159 PolarHBondContact O-N 3.12Å; A159-T161 PolarHBondContact O-N 2.69Å; A159-H163 WeakPolarHBondContact O-CA 3.38Å; A159-H163 WeakPolarHBondContact O-CB 3.33Å; A159-H163 PolarHBondContact O-N 3.33Å; A159-Y164 PolarHBondContact O-N 3.28Å; A159-Y164 VanDerWaalsContact O-N 3.17Å; A159-Y169 WeakPolarHBondContact CB-OH 3.31Å; A159-Y169 PolarHBondContact O-OH 3Å; A159-A172 HydrophobicContact CB-CB 4.09Å
160	L	88.9	Confident	88.1	Confident	18 Å²	18	46.8 Å²	46.8	9%	0.094	22%	0.215	C	C	.	.	I	π-helix	trans	-58.4	-49.8	175.6	177.7	66.4	0	0	0	111.8	C156 N157 W158 Y164 Y169 M194 Q195 F444	C156-L160 VanDerWaalsContact O-CB 3.24Å; C156-L160 WeakPolarHBondContact O-CB 3.37Å; C156-L160 PolarHBondContact O-N 2.73Å; N157-L160 PolarHBondContact O-N 2.79Å; W158-L160 VanDerWaalsContact C-N 3.32Å; W158-L160 PolarHBondContact O-N 3Å; L160-Y164 HydrophobicContact CD1-CD1 4.15Å; L160-Y164 HydrophobicContact CD1-CD2 4.18Å; L160-Y164 HydrophobicContact CD1-CG 3.75Å; L160-Y164 WeakPolarHBondContact O-CB 3.12Å; L160-Y169 PolarHBondContact N-OH 2.95Å; L160-M194 HydrophobicContact CD1-CB 3.83Å; L160-Q195 HydrophobicContact CD2-CB 3.89Å; L160-F444 HydrophobicContact CD1-CE1 3.68Å; L160-F444 HydrophobicContact CD1-CZ 3.77Å; L160-F444 HydrophobicContact CD2-CE1 3.77Å; L160-F444 HydrophobicContact CG-CE1 4.07Å
161	T	86.4	Confident	88.2	Confident	90 Å²	90	39.9 Å²	39.9	55%	0.552	19%	0.189	S	C	*	.	I	π-helix	trans	-72.6	-34.1	-173.1	46.4	0	0	0	0	113.7	N157 W158 A159	N157-T161 WeakPolarHBondContact O-CB 3.26Å; N157-T161 VanDerWaalsContact O-CG2 3.28Å; N157-T161 WeakPolarHBondContact O-CG2 3.08Å; N157-T161 PolarHBondContact O-N 3.26Å; N157-T161 PolarHBondContact O-OG1 3.42Å; W158-T161 WeakPolarHBondContact CA-OG1 3.45Å; W158-T161 PolarHBondContact O-N 3.47Å; W158-T161 PolarHBondContact O-OG1 3.06Å; A159-T161 PolarHBondContact O-N 2.69Å
162	H	86.8	Confident	88.3	Confident	119 Å²	119	39.8 Å²	39.8	55%	0.551	19%	0.188	S	C	*	.	I	π-helix	trans	-100.8	-26.5	-172.9	-62	79.7	0	0	0	113.6	W158	W158-H162 AromaticContact CD1-CE1 3.39Å; W158-H162 AromaticContact CD1-ND1 3.35Å; W158-H162 VanDerWaalsContact CD1-ND1 3.35Å; W158-H162 AromaticContact CG-ND1 3.79Å; W158-H162 AromaticContact NE1-CE1 3.76Å; W158-H162 AromaticContact NE1-CG 3.93Å; W158-H162 AromaticContact NE1-ND1 3.62Å; W158-H162 WeakPolarHBondContact O-CB 3.43Å; W158-H162 PolarHBondContact O-N 3.22Å; W158-H162 PolarHBondContact O-ND1 3.18Å
163	H	86.9	Confident	88.5	Confident	30 Å²	30	39.6 Å²	39.6	14%	0.139	19%	0.187	C	C	.	.	I	π-helix	trans	-127.5	-25.9	-166.4	-62.4	-77.2	0	0	0	114.6	L83 F85 W158 A159 V165 R166 Y167	L83-H163 HydrophobicContact CD2-CB 3.72Å; F85-H163 HydrophobicContact CE1-CB 4.43Å; F85-H163 AromaticContact CE1-CD2 3.47Å; F85-H163 VanDerWaalsContact CE1-CD2 3.47Å; F85-H163 WeakPolarHBondContact CE1-CD2 3.46Å; F85-H163 AromaticContact CE1-CG 3.81Å; F85-H163 AromaticContact CE1-NE2 3.79Å; F85-H163 HydrophobicContact CZ-CB 3.99Å; F85-H163 AromaticContact CZ-CD2 3.78Å; F85-H163 AromaticContact CZ-CG 3.87Å; W158-H163 AromaticContact CH2-CD2 3.84Å; W158-H163 AromaticContact CH2-NE2 3.37Å; W158-H163 WeakPolarHBondContact CH2-NE2 3.04Å; W158-H163 AromaticContact CZ2-NE2 3.59Å; W158-H163 AromaticContact CZ3-CD2 3.98Å; W158-H163 AromaticContact CZ3-NE2 3.99Å; A159-H163 WeakPolarHBondContact O-CA 3.38Å; A159-H163 WeakPolarHBondContact O-CB 3.33Å; A159-H163 PolarHBondContact O-N 3.33Å; H163-V165 PolarHBondContact O-N 3.42Å; H163-R166 PolarHBondContact O-N 3.11Å; H163-Y167 HydrophobicContact CB-CD2 4.04Å; H163-Y167 HydrophobicContact CB-CE2 4.45Å; H163-Y167 WeakPolarHBondContact O-CD2 3.39Å; H163-Y167 PolarHBondContact O-N 3.16Å; H163-Y167 VanDerWaalsContact O-N 3.15Å
164	Y	79.9	Confident	88.7	Confident	8 Å²	8	34.9 Å²	34.9	3%	0.031	17%	0.165	C	C	.	.	I	π-helix	trans	-56.8	-46.7	-174.2	-177.2	-98.6	0	0	0	113.6	A159 L160 R166 Y167 N168 Y169 M194 F441 F444	A159-Y164 PolarHBondContact O-N 3.28Å; A159-Y164 VanDerWaalsContact O-N 3.17Å; L160-Y164 HydrophobicContact CD1-CD1 4.15Å; L160-Y164 HydrophobicContact CD1-CD2 4.18Å; L160-Y164 HydrophobicContact CD1-CG 3.75Å; L160-Y164 WeakPolarHBondContact O-CB 3.12Å; Y164-R166 PolarHBondContact O-N 3.27Å; Y164-R166 VanDerWaalsContact O-N 3.16Å; Y164-Y167 PolarHBondContact O-N 2.87Å; Y164-N168 WeakPolarHBondContact O-CA 3.19Å; Y164-N168 PolarHBondContact O-N 2.79Å; Y164-N168 PolarHBondContact OH-OD1 2.55Å; Y164-Y169 HydrophobicContact CD2-CD1 4.44Å; Y164-Y169 HydrophobicContact CD2-CE1 4.1Å; Y164-Y169 HydrophobicContact CD2-CE2 4.2Å; Y164-Y169 AromaticContact CD2-CZ 3.97Å; Y164-Y169 WeakPolarHBondContact CE2-O 3.32Å; Y164-M194 HydrophobicContact CD1-SD 4.28Å; Y164-M194 HydrophobicContact CD2-CB 4.39Å; Y164-M194 HydrophobicContact CE1-CG 4.29Å; Y164-M194 HydrophobicContact CE1-SD 3.37Å; Y164-M194 WeakPolarHBondContact CE1-SD 3.2Å; Y164-M194 HydrophobicContact CE2-CB 4.03Å; Y164-M194 HydrophobicContact CE2-CG 3.72Å; Y164-M194 HydrophobicContact CE2-SD 3.91Å; Y164-M194 PolarHBondContact OH-SD 3.42Å; Y164-F441 HydrophobicContact CE1-CE1 4.39Å; Y164-F444 HydrophobicContact CD1-CE2 4.3Å; Y164-F444 HydrophobicContact CE1-CE2 4.08Å; Y164-F444 HydrophobicContact CE1-CZ 4.47Å
165	V	69.8	Low	88.8	Confident	53 Å²	53	30.6 Å²	30.6	32%	0.321	15%	0.149	S	C	.	.	H	α-helix	trans	-57.3	-33.2	-180	165.6	0	0	0	0	112.9	H163 F441 L476 M480	H163-V165 PolarHBondContact O-N 3.42Å; V165-F441 HydrophobicContact CB-CE1 4.4Å; V165-F441 HydrophobicContact CG2-CD1 4.18Å; V165-F441 HydrophobicContact CG2-CE1 4.15Å; V165-L476 HydrophobicContact CG1-CD1 3.3Å; V165-L476 HydrophobicContact CG1-CD2 3.56Å; V165-L476 HydrophobicContact CG1-CG 3.6Å; V165-M480 WeakPolarHBondContact O-CE 3.36Å
166	R	72.8	Confident	88.8	Confident	132 Å²	132	30.6 Å²	30.6	50%	0.498	15%	0.149	S	C	.	.	H	α-helix	trans	-84.3	-30.1	-176.3	-169.1	-178.5	174.2	-178.6	-3.8	113	H163 Y164 A478 M480	H163-R166 PolarHBondContact O-N 3.11Å; Y164-R166 PolarHBondContact O-N 3.27Å; Y164-R166 VanDerWaalsContact O-N 3.16Å; R166-A478 CarbonylContact C-O 3.59Å; R166-A478 VanDerWaalsContact C-O 3.23Å; R166-A478 VanDerWaalsContact CA-O 3.22Å; R166-A478 WeakPolarHBondContact CA-O 3.05Å; R166-M480 VanDerWaalsContact C-CE 3.48Å; R166-M480 WeakPolarHBondContact O-CE 3.31Å
167	Y	79	Confident	88.6	Confident	25 Å²	25	34.1 Å²	34.1	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-117	-20.6	-168.1	-67.7	-70.8	0	0	0	114.1	L83 D130 I132 H163 Y164 Y169	L83-Y167 HydrophobicContact CD1-CD1 4.1Å; L83-Y167 HydrophobicContact CD1-CD2 4.06Å; L83-Y167 HydrophobicContact CD1-CE1 4.46Å; L83-Y167 HydrophobicContact CD1-CE2 4.41Å; L83-Y167 HydrophobicContact CD1-CG 3.89Å; L83-Y167 HydrophobicContact CD2-CD2 3.68Å; L83-Y167 HydrophobicContact CD2-CE2 4.38Å; L83-Y167 HydrophobicContact CD2-CG 4.01Å; D130-Y167 HydrophobicContact CB-CD1 3.95Å; D130-Y167 HydrophobicContact CB-CE1 3.5Å; D130-Y167 WeakPolarHBondContact OD2-CE1 3.34Å; D130-Y167 PolarHBondContact OD2-OH 2.73Å; I132-Y167 HydrophobicContact CD1-CE2 3.92Å; I132-Y167 WeakPolarHBondContact CD1-OH 3.48Å; H163-Y167 HydrophobicContact CB-CD2 4.04Å; H163-Y167 HydrophobicContact CB-CE2 4.45Å; H163-Y167 WeakPolarHBondContact O-CD2 3.39Å; H163-Y167 PolarHBondContact O-N 3.16Å; H163-Y167 VanDerWaalsContact O-N 3.15Å; Y164-Y167 PolarHBondContact O-N 2.87Å; Y167-Y169 PolarHBondContact O-N 2.85Å; Y167-Y169 VanDerWaalsContact O-N 3.11Å
168	N	76.7	Confident	88.6	Confident	18 Å²	18	33.1 Å²	33.1	10%	0.096	16%	0.156	C	C	.	.			trans	42.1	46.6	-177.5	177.4	72	0	0	0	112	Y164 R440 M480	Y164-N168 WeakPolarHBondContact O-CA 3.19Å; Y164-N168 PolarHBondContact O-N 2.79Å; Y164-N168 PolarHBondContact OH-OD1 2.55Å; N168-R440 PolarHBondContact ND2-NH1 3.13Å; N168-R440 PolarHBondContact OD1-NH1 2.85Å; N168-R440 VanDerWaalsContact OD1-NH1 3.14Å; N168-M480 HydrophobicContact CB-CE 3.18Å; N168-M480 HydrophobicContact CB-SD 3.32Å; N168-M480 WeakPolarHBondContact CB-SD 3.28Å; N168-M480 VanDerWaalsContact N-CE 3.29Å
169	Y	88.5	Confident	88.3	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.02	15%	0.151	C	C	.	.			trans	-73.1	154.1	175.6	61.7	-100.4	0	0	0	110.4	E81 L83 A159 L160 Y164 Y167 H171 A172	E81-Y169 CarbonylContact O-C 3.58Å; E81-Y169 WeakPolarHBondContact O-CB 3.37Å; L83-Y169 HydrophobicContact CB-CD1 3.56Å; L83-Y169 HydrophobicContact CB-CD2 4.49Å; L83-Y169 HydrophobicContact CB-CE1 4.25Å; L83-Y169 HydrophobicContact CB-CG 3.7Å; L83-Y169 HydrophobicContact CD2-CD1 3.5Å; L83-Y169 HydrophobicContact CD2-CE1 3.63Å; L83-Y169 HydrophobicContact CD2-CG 4.48Å; L83-Y169 HydrophobicContact CG-CD1 4.16Å; A159-Y169 WeakPolarHBondContact CB-OH 3.31Å; A159-Y169 PolarHBondContact O-OH 3Å; L160-Y169 PolarHBondContact N-OH 2.95Å; Y164-Y169 HydrophobicContact CD2-CD1 4.44Å; Y164-Y169 HydrophobicContact CD2-CE1 4.1Å; Y164-Y169 HydrophobicContact CD2-CE2 4.2Å; Y164-Y169 AromaticContact CD2-CZ 3.97Å; Y164-Y169 WeakPolarHBondContact CE2-O 3.32Å; Y167-Y169 PolarHBondContact O-N 2.85Å; Y167-Y169 VanDerWaalsContact O-N 3.11Å; Y169-H171 VanDerWaalsContact CD2-O 3.28Å; Y169-H171 WeakPolarHBondContact CD2-O 3.29Å; Y169-A172 HydrophobicContact CD2-CB 4.23Å; Y169-A172 HydrophobicContact CE2-CB 3.63Å
170	D	92.4	Very high	87.7	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.053	18%	0.18	C	C	.	.	S	Bend	trans	-82.8	-34.1	170.1	-62.5	-45.5	0	0	0	111.7	E81 M191 S197 C273 L274	E81-D170 HydrophobicContact CB-CB 4.31Å; E81-D170 VanDerWaalsContact CB-OD2 3.32Å; E81-D170 WeakPolarHBondContact CB-OD2 3.4Å; E81-D170 WeakPolarHBondContact CG-OD2 2.98Å; E81-D170 PolarHBondContact N-OD2 3.42Å; E81-D170 PolarHBondContact O-N 3.3Å; D170-M191 HydrophobicContact CB-SD 4.4Å; D170-S197 VanDerWaalsContact O-CB 3.22Å; D170-S197 WeakPolarHBondContact O-CB 3.23Å; D170-S197 PolarHBondContact O-OG 3.34Å; D170-C273 VanDerWaalsContact OD1-CB 3.31Å; D170-C273 WeakPolarHBondContact OD1-CB 3.46Å; D170-C273 PolarHBondContact OD1-SG 3.08Å; D170-L274 HydrophobicContact CB-CD2 3.86Å
171	H	96	Very high	87.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.7	-176.8	-160.6	67.2	0	0	0	112.6	I80 E81 T82 L83 Y169 M191 S197 C198 T199 S219	I80-H171 HydrophobicContact CG2-CB 3.88Å; E81-H171 PolarHBondContact O-N 3.42Å; T82-H171 CarbonylContact C-O 3.57Å; T82-H171 VanDerWaalsContact CA-O 3.25Å; T82-H171 WeakPolarHBondContact CA-O 3.08Å; L83-H171 PolarHBondContact N-O 2.79Å; Y169-H171 VanDerWaalsContact CD2-O 3.28Å; Y169-H171 WeakPolarHBondContact CD2-O 3.29Å; H171-M191 HydrophobicContact CB-CE 4.02Å; H171-M191 HydrophobicContact CB-SD 4.15Å; H171-S197 VanDerWaalsContact ND1-C 3.32Å; H171-S197 PolarHBondContact ND1-O 3.4Å; H171-S197 PolarHBondContact ND1-OG 3.41Å; H171-C198 VanDerWaalsContact CE1-CA 3.43Å; H171-C198 WeakPolarHBondContact CE1-CA 3.35Å; H171-C198 PolarHBondContact CE1-N 2.97Å; H171-C198 VanDerWaalsContact CE1-N 3.33Å; H171-T199 PolarHBondContact CE1-OG1 3.34Å; H171-T199 WeakPolarHBondContact NE2-CB 3.43Å; H171-T199 PolarHBondContact NE2-N 2.94Å; H171-T199 PolarHBondContact NE2-OG1 3.17Å; H171-S219 PolarHBondContact CE1-OG 3.32Å
172	A	97.1	Very high	87	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.6	174.4	0	0	0	0	0	110.7	L83 F85 F155 A159 Y169 S197 C198 T199	L83-A172 WeakPolarHBondContact O-CA 2.93Å; F85-A172 HydrophobicContact CE2-CB 4Å; F155-A172 HydrophobicContact CE1-CB 3.99Å; F155-A172 HydrophobicContact CZ-CB 3.7Å; A159-A172 HydrophobicContact CB-CB 4.09Å; Y169-A172 HydrophobicContact CD2-CB 4.23Å; Y169-A172 HydrophobicContact CE2-CB 3.63Å; A172-S197 PolarHBondContact N-O 2.84Å; A172-S197 VanDerWaalsContact N-O 3.11Å; A172-C198 HydrophobicContact CB-CB 4.06Å; A172-C198 CarbonylContact O-C 3.6Å; A172-C198 WeakPolarHBondContact O-CA 3.05Å; A172-C198 WeakPolarHBondContact O-CB 3.43Å; A172-T199 PolarHBondContact O-N 3.2Å
173	L	98	Very high	87.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.7	178	172.5	64.1	0	0	0	110	T82 L83 V84 F85 M108 T199 A201 I212	T82-L173 HydrophobicContact CG2-CB 3.93Å; L83-L173 PolarHBondContact O-N 3.23Å; V84-L173 CarbonylContact C-O 3.55Å; V84-L173 HydrophobicContact CG1-CD2 4.34Å; V84-L173 HydrophobicContact CG2-CD2 4.41Å; F85-L173 WeakPolarHBondContact CB-O 3.49Å; F85-L173 PolarHBondContact N-O 2.74Å; M108-L173 HydrophobicContact CE-CD2 3.69Å; M108-L173 HydrophobicContact SD-CD2 3.5Å; M108-L173 WeakPolarHBondContact SD-CD2 3.25Å; L173-T199 CarbonylContact C-O 3.55Å; L173-T199 WeakPolarHBondContact CA-O 3.48Å; L173-T199 HydrophobicContact CD1-CG2 3.58Å; L173-A201 HydrophobicContact CD1-CB 3.92Å; L173-I212 HydrophobicContact CD1-CG1 4.25Å; L173-I212 HydrophobicContact CD1-CG2 4.16Å; L173-I212 HydrophobicContact CD2-CD1 4.11Å; L173-I212 HydrophobicContact CD2-CG1 4.31Å; L173-I212 HydrophobicContact CD2-CG2 3.75Å
174	F	98	Very high	87.4	Confident	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.4	171.5	-170.5	-105.6	0	0	0	110.7	F85 D87 V134 L142 L143 F155 I179 T199 L200 A201	F85-F174 HydrophobicContact CB-CD2 3.67Å; F85-F174 HydrophobicContact CB-CE2 4.42Å; F85-F174 CarbonylContact O-C 3.51Å; F85-F174 WeakPolarHBondContact O-CA 3.38Å; D87-F174 HydrophobicContact CB-CE2 4.21Å; D87-F174 HydrophobicContact CB-CZ 3.8Å; V134-F174 HydrophobicContact CB-CE2 4.09Å; V134-F174 HydrophobicContact CG1-CE2 4.13Å; V134-F174 HydrophobicContact CG2-CE2 3.95Å; L142-F174 HydrophobicContact CD1-CD2 4.45Å; L142-F174 HydrophobicContact CD1-CE2 3.91Å; L142-F174 HydrophobicContact CD1-CZ 4.27Å; L143-F174 HydrophobicContact CD1-CE1 4.18Å; L143-F174 HydrophobicContact CD2-CD1 4.38Å; L143-F174 HydrophobicContact CD2-CE1 3.88Å; L143-F174 HydrophobicContact CG-CE1 4.06Å; F155-F174 HydrophobicContact CD1-CB 3.85Å; F155-F174 HydrophobicContact CD2-CB 3.91Å; F155-F174 HydrophobicContact CD2-CD2 4.05Å; F155-F174 HydrophobicContact CD2-CG 4.17Å; F155-F174 HydrophobicContact CE1-CB 3.62Å; F155-F174 HydrophobicContact CE2-CB 3.71Å; F155-F174 AromaticContact CE2-CD2 3.98Å; F155-F174 HydrophobicContact CE2-CD2 3.98Å; F155-F174 HydrophobicContact CE2-CG 4.22Å; F155-F174 HydrophobicContact CG-CB 3.98Å; F155-F174 HydrophobicContact CG-CG 4.46Å; F155-F174 HydrophobicContact CZ-CB 3.56Å; F174-I179 HydrophobicContact CD1-CD1 4.13Å; F174-T199 PolarHBondContact N-O 3.48Å; F174-L200 HydrophobicContact CB-CD2 3.54Å; F174-L200 HydrophobicContact CD1-CD2 3.84Å; F174-L200 HydrophobicContact CG-CD2 4.04Å; F174-A201 PolarHBondContact O-N 3.41Å
175	L	97.3	Very high	88.1	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.4	-179.7	-172.6	68.7	0	0	0	109.6	F85 D87 V90 Y103 V104 L107 A201 D203 I212	F85-L175 PolarHBondContact O-N 2.98Å; D87-L175 PolarHBondContact N-O 3.43Å; D87-L175 VanDerWaalsContact N-O 3.11Å; V90-L175 HydrophobicContact CG1-CD2 4.18Å; V90-L175 HydrophobicContact CG2-CD2 4.32Å; V90-L175 HydrophobicContact CG2-CG 4.05Å; V90-L175 WeakPolarHBondContact CG2-O 3.42Å; Y103-L175 HydrophobicContact CE1-CD2 4.49Å; V104-L175 HydrophobicContact CG2-CD2 4.37Å; L107-L175 HydrophobicContact CD2-CD1 4.23Å; L107-L175 HydrophobicContact CD2-CD2 3.69Å; L175-A201 HydrophobicContact CD1-CB 4.32Å; L175-D203 HydrophobicContact CD1-CB 3.9Å; L175-D203 HydrophobicContact CD2-CB 4.48Å; L175-D203 HydrophobicContact CG-CB 3.94Å; L175-I212 HydrophobicContact CD1-CD1 4.35Å
176	S	95.3	Very high	89.3	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	146.8	179.3	177.1	0	0	0	0	111.5	D87 N178 A201 E202 D203	D87-S176 VanDerWaalsContact CG-OG 3.23Å; D87-S176 PolarHBondContact OD1-OG 3.2Å; D87-S176 WeakPolarHBondContact OD2-CB 3.43Å; D87-S176 PolarHBondContact OD2-OG 2.92Å; S176-N178 VanDerWaalsContact C-N 3.28Å; S176-N178 PolarHBondContact OG-N 3.15Å; S176-N178 VanDerWaalsContact OG-N 3.11Å; S176-A201 PolarHBondContact N-O 2.91Å; S176-E202 WeakPolarHBondContact O-CA 3.49Å; S176-D203 PolarHBondContact O-N 3.45Å
177	R	92.1	Very high	90.4	Very high	79 Å²	79	25.9 Å²	25.9	30%	0.298	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.8	172.5	-55.8	-174.6	66.8	61.4	9.5	113.3	T89 R93 I179 V180 D203	T89-R177 WeakPolarHBondContact O-CD 3.33Å; T89-R177 WeakPolarHBondContact OG1-CB 3.35Å; T89-R177 PolarHBondContact OG1-N 3.09Å; R93-R177 VanDerWaalsContact NH1-CZ 3.3Å; R93-R177 VanDerWaalsContact NH1-NH1 3.19Å; R93-R177 VanDerWaalsContact NH2-NH1 3.12Å; R177-I179 VanDerWaalsContact C-N 3.29Å; R177-V180 WeakPolarHBondContact O-CG1 3.45Å; R177-D203 WeakPolarHBondContact CD-OD2 3.35Å; R177-D203 HydrophobicContact CG-CB 3.77Å; R177-D203 WeakPolarHBondContact CG-OD2 3.21Å; R177-D203 IonicContact CZ-OD2 3.89Å; R177-D203 PolarHBondContact NH1-O 3.27Å; R177-D203 IonicContact NH1-OD2 3.88Å; R177-D203 PolarHBondContact NH1-OD2 3.22Å
178	N	92.1	Very high	91.2	Very high	75 Å²	75	27.9 Å²	27.9	40%	0.401	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.8	179.7	-71.3	-23.3	0	0	0	112.5	T89 L143 S176 V180	T89-N178 WeakPolarHBondContact CG2-ND2 3.22Å; L143-N178 HydrophobicContact CD1-CB 3.77Å; S176-N178 VanDerWaalsContact C-N 3.28Å; S176-N178 PolarHBondContact OG-N 3.15Å; S176-N178 VanDerWaalsContact OG-N 3.11Å; N178-V180 PolarHBondContact O-N 3.26Å; N178-V180 VanDerWaalsContact O-N 3.11Å
179	I	88.2	Confident	92	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	16%	0.163	C	C	.	.			trans	-82	82.9	173.6	-60.9	162.9	0	0	0	107.7	L143 L148 F174 R177 L200 A201 E202	L143-I179 HydrophobicContact CD2-CD1 4.48Å; L143-I179 HydrophobicContact CD2-CG1 4.05Å; L148-I179 HydrophobicContact CD2-CG2 3.81Å; F174-I179 HydrophobicContact CD1-CD1 4.13Å; R177-I179 VanDerWaalsContact C-N 3.29Å; I179-L200 HydrophobicContact CD1-CB 3.91Å; I179-A201 WeakPolarHBondContact CD1-O 3.23Å; I179-E202 HydrophobicContact CB-CB 4.41Å; I179-E202 HydrophobicContact CG2-CB 4.45Å; I179-E202 VanDerWaalsContact O-CB 3.28Å; I179-E202 WeakPolarHBondContact O-CB 3.35Å; I179-E202 WeakPolarHBondContact O-CG 3.36Å
180	V	79.4	Confident	92.3	Very high	99 Å²	99	30.1 Å²	30.1	60%	0.6	17%	0.17	S	C	*	.			trans	-105.5	-1.8	-173.3	-60.8	0	0	0	0	114	R177 N178	R177-V180 WeakPolarHBondContact O-CG1 3.45Å; N178-V180 PolarHBondContact O-N 3.26Å; N178-V180 VanDerWaalsContact O-N 3.11Å
181	Q	78	Confident	92.4	Very high	80 Å²	80	29.9 Å²	29.9	37%	0.374	17%	0.169	S	C	.	.	S	Bend	trans	-85.5	-24	-175.5	-62	96	62.1	0	0	113.4	V146 L148	V146-Q181 HydrophobicContact CB-CG 4.25Å; V146-Q181 PolarHBondContact O-OE1 2.85Å; V146-Q181 VanDerWaalsContact O-OE1 3.12Å; L148-Q181 HydrophobicContact CD1-CB 4.01Å; L148-Q181 HydrophobicContact CG-CB 4.17Å
182	A	83.2	Confident	92.2	Very high	41 Å²	41	31.4 Å²	31.4	34%	0.339	18%	0.179	S	C	.	.	S	Bend	trans	-158.6	162.8	176.6	0	0	0	0	0	108.3	L148 G184	L148-A182 HydrophobicContact CD1-CB 3.61Å; A182-G184 PolarHBondContact O-N 2.93Å
183	A	87.8	Confident	91.8	Very high	26 Å²	26	38.2 Å²	38.2	22%	0.215	20%	0.204	C	C	.	.	S	Bend	trans	-65.7	-23.4	176.7	0	0	0	0	0	112.7	E202 P211 I245	A183-E202 PolarHBondContact O-N 3.46Å; A183-P211 HydrophobicContact CB-CB 3.73Å; A183-P211 HydrophobicContact CB-CG 3.75Å; A183-I245 HydrophobicContact CB-CD1 3.79Å
184	G	93	Very high	91	Very high	7 Å²	7	39.9 Å²	39.9	7%	0.072	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	179.8	173.9	0	0	0	0	0	113.5	A182 L200 E215	A182-G184 PolarHBondContact O-N 2.93Å; G184-L200 CarbonylContact C-O 3.57Å; G184-L200 WeakPolarHBondContact CA-O 3.26Å; G184-E215 VanDerWaalsContact C-CD 3.48Å
185	I	95.1	Very high	90.4	Very high	36 Å²	36	44.7 Å²	44.7	19%	0.185	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	141.8	168.3	-173	166.4	0	0	0	110.7	L148 I149 V152 L200 E215	L148-I185 HydrophobicContact CB-CB 4.49Å; L148-I185 HydrophobicContact CB-CD1 4.03Å; L148-I185 HydrophobicContact CB-CG2 3.99Å; I149-I185 HydrophobicContact CG1-CD1 4.07Å; V152-I185 HydrophobicContact CB-CG2 3.96Å; V152-I185 HydrophobicContact CG1-CD1 4.42Å; V152-I185 HydrophobicContact CG1-CG2 4.37Å; V152-I185 HydrophobicContact CG2-CG2 4.34Å; I185-L200 HydrophobicContact CG2-CB 3.85Å; I185-L200 HydrophobicContact CG2-CD1 4.01Å; I185-L200 HydrophobicContact CG2-CG 4.11Å; I185-L200 PolarHBondContact N-O 2.81Å; I185-L200 PolarHBondContact O-N 3.29Å; I185-E215 VanDerWaalsContact C-OE2 3.29Å; I185-E215 VanDerWaalsContact CA-OE2 3.25Å; I185-E215 WeakPolarHBondContact CA-OE2 3.11Å
186	S	96	Very high	90.2	Very high	13 Å²	13	48.8 Å²	48.8	9%	0.091	25%	0.251	C	S	.	.			trans	-145.1	140.3	176.2	171.3	0	0	0	0	111.5	L188 E215 S219	S186-L188 PolarHBondContact O-N 2.67Å; S186-E215 WeakPolarHBondContact CB-O 3.42Å; S186-E215 PolarHBondContact N-OE2 2.89Å; S186-E215 VanDerWaalsContact N-OE2 3.07Å; S186-E215 PolarHBondContact OG-O 3.22Å; S186-S219 WeakPolarHBondContact OG-CB 3.41Å; S186-S219 PolarHBondContact OG-N 3.22Å; S186-S219 PolarHBondContact OG-OG 2.92Å
187	P	95.8	Very high	90.2	Very high	25 Å²	25	48.9 Å²	48.9	16%	0.162	25%	0.252	C	S	.	.			trans	-64.3	121.8	173.7	-25.2	38.6	0	0	0	112.2	V152 S189 Q190 Y196 C198	V152-P187 HydrophobicContact CG2-CG 4.23Å; P187-S189 PolarHBondContact O-N 3.42Å; P187-Q190 HydrophobicContact CB-CB 4.08Å; P187-Q190 HydrophobicContact CB-CG 3.54Å; P187-Y196 WeakPolarHBondContact CG-O 3.44Å; P187-C198 WeakPolarHBondContact CD-O 3.41Å
188	L	94.7	Very high	90.4	Very high	68 Å²	68	45.1 Å²	45.1	36%	0.356	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	132	-178.8	-172.5	74	0	0	0	112	S186 Q190 H218 E223	S186-L188 PolarHBondContact O-N 2.67Å; L188-Q190 VanDerWaalsContact C-N 3.29Å; L188-Q190 WeakPolarHBondContact O-CG 3.4Å; L188-Q190 PolarHBondContact O-N 3.15Å; L188-Q190 PolarHBondContact O-NE2 3.16Å; L188-H218 CarbonylContact C-O 3.46Å; L188-H218 WeakPolarHBondContact CA-O 3.42Å; L188-H218 HydrophobicContact CD1-CB 4.36Å; L188-H218 WeakPolarHBondContact CD1-O 3.46Å; L188-E223 HydrophobicContact CD1-CG 4.04Å; L188-E223 HydrophobicContact CD2-CG 3.9Å
189	S	94.8	Very high	90.7	Very high	34 Å²	34	41.6 Å²	41.6	24%	0.238	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	25.7	171.1	-119.5	0	0	0	0	115.2	P187 H218 S219 G221 K270	P187-S189 PolarHBondContact O-N 3.42Å; S189-H218 PolarHBondContact N-O 3.08Å; S189-S219 CarbonylContact C-O 3.23Å; S189-S219 WeakPolarHBondContact CA-O 3.22Å; S189-S219 PolarHBondContact N-O 2.87Å; S189-G221 WeakPolarHBondContact OG-CA 3.25Å; S189-K270 PolarHBondContact OG-NZ 3.31Å
190	Q	94.7	Very high	91.1	Very high	36 Å²	36	41.5 Å²	41.5	17%	0.168	22%	0.219	C	C	.	.			trans	-105.1	5	-176.1	-57.9	-57.4	-31	0	0	114.9	P187 L188 C192 R193 Y196 S197 S219	P187-Q190 HydrophobicContact CB-CB 4.08Å; P187-Q190 HydrophobicContact CB-CG 3.54Å; L188-Q190 VanDerWaalsContact C-N 3.29Å; L188-Q190 WeakPolarHBondContact O-CG 3.4Å; L188-Q190 PolarHBondContact O-N 3.15Å; L188-Q190 PolarHBondContact O-NE2 3.16Å; Q190-C192 PolarHBondContact O-N 3.23Å; Q190-R193 WeakPolarHBondContact O-CB 3.28Å; Q190-R193 PolarHBondContact O-N 3.07Å; Q190-Y196 WeakPolarHBondContact CB-O 3.36Å; Q190-Y196 HydrophobicContact CG-CG 4.39Å; Q190-S197 WeakPolarHBondContact O-CB 3.34Å; Q190-S219 PolarHBondContact N-O 3.39Å
191	M	94.7	Very high	91.9	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.025	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	141.5	170.8	-171	59.3	75.2	0	0	110.4	I80 D170 H171 R193 S197 I216 S219 L220 F271 L274	I80-M191 HydrophobicContact CD1-CE 4.43Å; I80-M191 HydrophobicContact CG2-CE 3.76Å; I80-M191 HydrophobicContact CG2-SD 4.31Å; D170-M191 HydrophobicContact CB-SD 4.4Å; H171-M191 HydrophobicContact CB-CE 4.02Å; H171-M191 HydrophobicContact CB-SD 4.15Å; M191-R193 PolarHBondContact O-N 3.13Å; M191-S197 PolarHBondContact SD-OG 2.89Å; M191-I216 HydrophobicContact CE-CG2 4.06Å; M191-S219 VanDerWaalsContact CB-O 3.29Å; M191-S219 WeakPolarHBondContact CB-O 3.3Å; M191-S219 PolarHBondContact N-O 3.12Å; M191-L220 HydrophobicContact CB-CD2 4Å; M191-L220 HydrophobicContact CE-CD2 4.27Å; M191-L220 HydrophobicContact CE-CG 4.27Å; M191-L220 HydrophobicContact CG-CD2 3.74Å; M191-F271 HydrophobicContact CB-CD1 4.39Å; M191-F271 HydrophobicContact CB-CE1 4.43Å; M191-F271 HydrophobicContact CG-CD1 4.44Å; M191-L274 HydrophobicContact CG-CD1 4.08Å; M191-L274 HydrophobicContact CG-CD2 4.05Å; M191-L274 HydrophobicContact CG-CG 4.36Å; M191-L274 HydrophobicContact SD-CD2 3.99Å
192	C	90.2	Very high	92.7	Very high	31 Å²	31	35.4 Å²	35.4	21%	0.209	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	1.7	-171.4	-52.9	0	0	0	0	116.4	Q190 C273	Q190-C192 PolarHBondContact O-N 3.23Å; C192-C273 WeakPolarHBondContact CA-SG 3.41Å; C192-C273 HydrophobicContact CB-CB 3.64Å; C192-C273 WeakPolarHBondContact CB-SG 3.31Å; C192-C273 WeakPolarHBondContact SG-CB 3.03Å; C192-C273 PolarHBondContact SG-N 2.95Å; C192-C273 VanDerWaalsContact SG-N 3.39Å; C192-C273 CovalentContact SG-SG 2.02Å; C192-C273 PolarHBondContact SG-SG 2.86Å
193	R	90.2	Very high	93.2	Very high	143 Å²	143	33.5 Å²	33.5	54%	0.54	17%	0.168	S	C	.	.			trans	-102	96.4	169.5	-65.9	177.1	166	-168.8	0.9	109	Q190 M191 Q195 Y196 S197	Q190-R193 WeakPolarHBondContact O-CB 3.28Å; Q190-R193 PolarHBondContact O-N 3.07Å; M191-R193 PolarHBondContact O-N 3.13Å; R193-Q195 PolarHBondContact O-N 2.98Å; R193-Y196 CarbonylContact O-C 3.48Å; R193-Y196 PolarHBondContact O-N 3.36Å; R193-S197 WeakPolarHBondContact O-CB 3.01Å; R193-S197 PolarHBondContact O-N 3.21Å
194	M	81.1	Confident	93.3	Very high	36 Å²	36	34 Å²	34	18%	0.177	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-35.6	-170.1	-50.4	170.9	-151.3	0	0	114.4	L160 Y164 Y196 R440 F444	L160-M194 HydrophobicContact CD1-CB 3.83Å; Y164-M194 HydrophobicContact CD1-SD 4.28Å; Y164-M194 HydrophobicContact CD2-CB 4.39Å; Y164-M194 HydrophobicContact CE1-CG 4.29Å; Y164-M194 HydrophobicContact CE1-SD 3.37Å; Y164-M194 WeakPolarHBondContact CE1-SD 3.2Å; Y164-M194 HydrophobicContact CE2-CB 4.03Å; Y164-M194 HydrophobicContact CE2-CG 3.72Å; Y164-M194 HydrophobicContact CE2-SD 3.91Å; Y164-M194 PolarHBondContact OH-SD 3.42Å; M194-Y196 VanDerWaalsContact C-N 3.33Å; M194-Y196 PolarHBondContact O-N 3.14Å; M194-R440 HydrophobicContact CE-CB 4.49Å; M194-F444 HydrophobicContact CB-CZ 4.12Å; M194-F444 HydrophobicContact CE-CE2 4.37Å; M194-F444 HydrophobicContact CG-CZ 4.4Å; M194-F444 HydrophobicContact SD-CE2 3.41Å; M194-F444 WeakPolarHBondContact SD-CE2 3.44Å; M194-F444 HydrophobicContact SD-CZ 3.3Å; M194-F444 WeakPolarHBondContact SD-CZ 3.49Å
195	Q	85.2	Confident	93.2	Very high	101 Å²	101	33.6 Å²	33.6	47%	0.472	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.2	-179	72.3	-160.2	-3.7	0	0	115.2	C156 L160 R193	C156-Q195 WeakPolarHBondContact CB-O 3.47Å; L160-Q195 HydrophobicContact CD2-CB 3.89Å; R193-Q195 PolarHBondContact O-N 2.98Å
196	Y	92.5	Very high	93	Very high	87 Å²	87	32.1 Å²	32.1	34%	0.341	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.3	-4.8	-175	-58.3	-51.1	0	0	0	114.1	P187 Q190 R193 M194 C198	P187-Y196 WeakPolarHBondContact CG-O 3.44Å; Q190-Y196 WeakPolarHBondContact CB-O 3.36Å; Q190-Y196 HydrophobicContact CG-CG 4.39Å; R193-Y196 CarbonylContact O-C 3.48Å; R193-Y196 PolarHBondContact O-N 3.36Å; M194-Y196 VanDerWaalsContact C-N 3.33Å; M194-Y196 PolarHBondContact O-N 3.14Å; Y196-C198 VanDerWaalsContact C-N 3.29Å; Y196-C198 PolarHBondContact O-N 3.08Å
197	S	95.2	Very high	92.6	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	16%	0.16	C	C	.	.			trans	-78.6	77.6	176.7	-168.3	0	0	0	0	110.1	D170 H171 A172 Q190 M191 R193	D170-S197 VanDerWaalsContact O-CB 3.22Å; D170-S197 WeakPolarHBondContact O-CB 3.23Å; D170-S197 PolarHBondContact O-OG 3.34Å; H171-S197 VanDerWaalsContact ND1-C 3.32Å; H171-S197 PolarHBondContact ND1-O 3.4Å; H171-S197 PolarHBondContact ND1-OG 3.41Å; A172-S197 PolarHBondContact N-O 2.84Å; A172-S197 VanDerWaalsContact N-O 3.11Å; Q190-S197 WeakPolarHBondContact O-CB 3.34Å; M191-S197 PolarHBondContact SD-OG 2.89Å; R193-S197 WeakPolarHBondContact O-CB 3.01Å; R193-S197 PolarHBondContact O-N 3.21Å
198	C	97.3	Very high	92.5	Very high	1 Å²	1	32 Å²	32	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	156.3	176.1	80.5	0	0	0	0	113.2	V152 F155 C156 H171 A172 P187 Y196	V152-C198 VanDerWaalsContact CG2-SG 3.56Å; V152-C198 PolarHBondContact O-SG 2.79Å; F155-C198 HydrophobicContact CD1-CB 3.82Å; F155-C198 HydrophobicContact CE1-CB 3.65Å; C156-C198 WeakPolarHBondContact CA-SG 3.28Å; C156-C198 HydrophobicContact CB-CB 4.11Å; C156-C198 WeakPolarHBondContact CB-SG 3.38Å; C156-C198 WeakPolarHBondContact SG-CB 3.26Å; C156-C198 CovalentContact SG-SG 2.02Å; C156-C198 PolarHBondContact SG-SG 3.38Å; H171-C198 VanDerWaalsContact CE1-CA 3.43Å; H171-C198 WeakPolarHBondContact CE1-CA 3.35Å; H171-C198 PolarHBondContact CE1-N 2.97Å; H171-C198 VanDerWaalsContact CE1-N 3.33Å; A172-C198 HydrophobicContact CB-CB 4.06Å; A172-C198 CarbonylContact O-C 3.6Å; A172-C198 WeakPolarHBondContact O-CA 3.05Å; A172-C198 WeakPolarHBondContact O-CB 3.43Å; P187-C198 WeakPolarHBondContact CD-O 3.41Å; Y196-C198 VanDerWaalsContact C-N 3.29Å; Y196-C198 PolarHBondContact O-N 3.08Å
199	T	97.1	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.1	177.5	-70	0	0	0	0	109.7	F155 H171 A172 L173 F174 A201 E215	F155-T199 WeakPolarHBondContact CE1-O 3.22Å; H171-T199 PolarHBondContact CE1-OG1 3.34Å; H171-T199 WeakPolarHBondContact NE2-CB 3.43Å; H171-T199 PolarHBondContact NE2-N 2.94Å; H171-T199 PolarHBondContact NE2-OG1 3.17Å; A172-T199 PolarHBondContact O-N 3.2Å; L173-T199 CarbonylContact C-O 3.55Å; L173-T199 WeakPolarHBondContact CA-O 3.48Å; L173-T199 HydrophobicContact CD1-CG2 3.58Å; F174-T199 PolarHBondContact N-O 3.48Å; T199-A201 HydrophobicContact CG2-CB 4.41Å; T199-E215 HydrophobicContact CG2-CB 3.4Å; T199-E215 HydrophobicContact CG2-CG 4.02Å
200	L	97	Very high	92.2	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133	159.5	-58.1	-173.8	0	0	0	108.3	V152 F155 F174 I179 G184 I185	V152-L200 HydrophobicContact CB-CD1 3.88Å; V152-L200 HydrophobicContact CB-CG 3.91Å; V152-L200 HydrophobicContact CG2-CG 4.06Å; F155-L200 HydrophobicContact CB-CD2 3.76Å; F155-L200 HydrophobicContact CD1-CD2 3.52Å; F155-L200 HydrophobicContact CE1-CD2 4.34Å; F155-L200 HydrophobicContact CG-CD2 3.77Å; F174-L200 HydrophobicContact CB-CD2 3.54Å; F174-L200 HydrophobicContact CD1-CD2 3.84Å; F174-L200 HydrophobicContact CG-CD2 4.04Å; I179-L200 HydrophobicContact CD1-CB 3.91Å; G184-L200 CarbonylContact C-O 3.57Å; G184-L200 WeakPolarHBondContact CA-O 3.26Å; I185-L200 HydrophobicContact CG2-CB 3.85Å; I185-L200 HydrophobicContact CG2-CD1 4.01Å; I185-L200 HydrophobicContact CG2-CG 4.11Å; I185-L200 PolarHBondContact N-O 2.81Å; I185-L200 PolarHBondContact O-N 3.29Å
201	A	96.2	Very high	92.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.6	176.8	0	0	0	0	0	111.2	L173 F174 L175 S176 I179 T199 I212	L173-A201 HydrophobicContact CD1-CB 3.92Å; F174-A201 PolarHBondContact O-N 3.41Å; L175-A201 HydrophobicContact CD1-CB 4.32Å; S176-A201 PolarHBondContact N-O 2.91Å; I179-A201 WeakPolarHBondContact CD1-O 3.23Å; T199-A201 HydrophobicContact CG2-CB 4.41Å; A201-I212 HydrophobicContact CB-CD1 4.37Å; A201-I212 HydrophobicContact CB-CG1 3.53Å
202	E	94.4	Very high	92.2	Very high	51 Å²	51	26.2 Å²	26.2	24%	0.238	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.7	170.4	-175.5	-177.3	-152.5	0	0	110.2	S176 I179 A183 S204 S208	S176-E202 WeakPolarHBondContact O-CA 3.49Å; I179-E202 HydrophobicContact CB-CB 4.41Å; I179-E202 HydrophobicContact CG2-CB 4.45Å; I179-E202 VanDerWaalsContact O-CB 3.28Å; I179-E202 WeakPolarHBondContact O-CB 3.35Å; I179-E202 WeakPolarHBondContact O-CG 3.36Å; A183-E202 PolarHBondContact O-N 3.46Å; E202-S204 WeakPolarHBondContact CG-OG 3.01Å; E202-S204 PolarHBondContact O-N 3.03Å; E202-S204 PolarHBondContact OE2-OG 3.12Å; E202-S208 WeakPolarHBondContact O-CB 3.25Å; E202-S208 PolarHBondContact O-OG 3.22Å
203	D	93.7	Very high	92.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	11%	0.111	C	C	.	.			trans	-81.8	103.8	165.3	172.5	49.6	0	0	0	111.3	V90 R93 Y103 L175 S176 R177 G205	V90-D203 HydrophobicContact CG2-CB 3.87Å; R93-D203 WeakPolarHBondContact CD-OD2 3.45Å; R93-D203 IonicContact NH2-OD2 3.21Å; Y103-D203 WeakPolarHBondContact CE1-OD1 3.47Å; Y103-D203 VanDerWaalsContact CZ-OD1 3.32Å; Y103-D203 PolarHBondContact OH-OD1 2.86Å; L175-D203 HydrophobicContact CD1-CB 3.9Å; L175-D203 HydrophobicContact CD2-CB 4.48Å; L175-D203 HydrophobicContact CG-CB 3.94Å; S176-D203 PolarHBondContact O-N 3.45Å; R177-D203 WeakPolarHBondContact CD-OD2 3.35Å; R177-D203 HydrophobicContact CG-CB 3.77Å; R177-D203 WeakPolarHBondContact CG-OD2 3.21Å; R177-D203 IonicContact CZ-OD2 3.89Å; R177-D203 PolarHBondContact NH1-O 3.27Å; R177-D203 IonicContact NH1-OD2 3.88Å; R177-D203 PolarHBondContact NH1-OD2 3.22Å; D203-G205 PolarHBondContact OD1-N 2.96Å
204	S	90	Very high	92.7	Very high	35 Å²	35	18.5 Å²	18.5	25%	0.245	9%	0.087	C	C	.	.			trans	-121.1	26.5	178.4	-73.5	0	0	0	0	111.4	E202 S208	E202-S204 WeakPolarHBondContact CG-OG 3.01Å; E202-S204 PolarHBondContact O-N 3.03Å; E202-S204 PolarHBondContact OE2-OG 3.12Å; S204-S208 PolarHBondContact N-OG 3.28Å
205	G	91	Very high	93.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	82.4	-160.6	-173.5	0	0	0	0	0	112.2	Y103 D203 F207 S208	Y103-G205 WeakPolarHBondContact OH-CA 3.33Å; Y103-G205 PolarHBondContact OH-N 2.87Å; Y103-G205 PolarHBondContact OH-O 3.32Å; Y103-G205 VanDerWaalsContact OH-O 3.14Å; D203-G205 PolarHBondContact OD1-N 2.96Å; G205-F207 PolarHBondContact O-N 3.08Å; G205-S208 VanDerWaalsContact O-CB 3.31Å; G205-S208 WeakPolarHBondContact O-CB 3.22Å; G205-S208 PolarHBondContact O-N 3.26Å; G205-S208 PolarHBondContact O-OG 3.34Å
206	F	91.1	Very high	94.1	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.022	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-59.5	-19.7	-177.2	-66	-54.6	0	0	0	115	Y103 T106 M110 S208 A209 W294 V302 L343	Y103-F206 HydrophobicContact CD2-CD1 4.2Å; Y103-F206 AromaticContact CD2-CE1 3.56Å; Y103-F206 HydrophobicContact CD2-CE1 3.56Å; Y103-F206 AromaticContact CD2-CZ 3.94Å; Y103-F206 HydrophobicContact CD2-CZ 3.94Å; Y103-F206 AromaticContact CE2-CD1 3.91Å; Y103-F206 HydrophobicContact CE2-CD1 3.91Å; Y103-F206 AromaticContact CE2-CE1 3.75Å; Y103-F206 HydrophobicContact CE2-CE1 3.75Å; Y103-F206 HydrophobicContact CE2-CZ 4.3Å; T106-F206 HydrophobicContact CG2-CD1 4.02Å; T106-F206 HydrophobicContact CG2-CE1 3.44Å; T106-F206 VanDerWaalsContact CG2-CE1 3.44Å; T106-F206 HydrophobicContact CG2-CZ 4.1Å; M110-F206 HydrophobicContact CE-CB 3.87Å; M110-F206 HydrophobicContact SD-CB 3.77Å; M110-F206 HydrophobicContact SD-CD1 3.77Å; M110-F206 HydrophobicContact SD-CG 3.99Å; F206-S208 PolarHBondContact O-N 3.4Å; F206-A209 WeakPolarHBondContact O-CB 3.39Å; F206-A209 PolarHBondContact O-N 2.87Å; F206-W294 HydrophobicContact CE2-CD2 4.19Å; F206-W294 HydrophobicContact CE2-CE3 4.33Å; F206-W294 HydrophobicContact CE2-CG 4.23Å; F206-W294 AromaticContact CZ-CD1 3.98Å; F206-W294 AromaticContact CZ-CD2 3.57Å; F206-W294 HydrophobicContact CZ-CD2 3.57Å; F206-W294 AromaticContact CZ-CE2 3.72Å; F206-W294 AromaticContact CZ-CE3 3.92Å; F206-W294 HydrophobicContact CZ-CE3 3.92Å; F206-W294 AromaticContact CZ-CG 3.82Å; F206-W294 HydrophobicContact CZ-CG 3.82Å; F206-W294 HydrophobicContact CZ-CZ2 4.27Å; F206-W294 HydrophobicContact CZ-CZ3 4.42Å; F206-W294 AromaticContact CZ-NE1 3.93Å; F206-V302 HydrophobicContact CD2-CB 4.31Å; F206-V302 HydrophobicContact CD2-CG1 3.81Å; F206-V302 HydrophobicContact CE2-CB 3.92Å; F206-V302 HydrophobicContact CE2-CG1 3.75Å; F206-V302 HydrophobicContact CE2-CG2 3.87Å; F206-V302 HydrophobicContact CG-CG1 4.25Å; F206-V302 HydrophobicContact CZ-CB 4.47Å; F206-V302 HydrophobicContact CZ-CG1 4.12Å; F206-V302 HydrophobicContact CZ-CG2 4.04Å; F206-L343 HydrophobicContact CB-CD2 4.38Å; F206-L343 HydrophobicContact CD2-CD1 3.9Å; F206-L343 HydrophobicContact CD2-CD2 4.22Å; F206-L343 HydrophobicContact CD2-CG 4.41Å; F206-L343 HydrophobicContact CE2-CD1 3.71Å; F206-L343 HydrophobicContact CG-CD1 4.5Å; F206-L343 HydrophobicContact CG-CD2 4.2Å; F206-L343 HydrophobicContact CZ-CD1 4.17Å
207	F	88.3	Confident	94.3	Very high	33 Å²	33	8.7 Å²	8.7	15%	0.145	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-65.7	-23	174.2	172.9	-102	0	0	0	112.7	G205 A209 Y210 P211 I245 N339 H340	G205-F207 PolarHBondContact O-N 3.08Å; F207-A209 PolarHBondContact O-N 3.26Å; F207-Y210 AromaticContact CD2-CD2 3.84Å; F207-Y210 HydrophobicContact CD2-CD2 3.84Å; F207-Y210 HydrophobicContact CD2-CE2 4.38Å; F207-Y210 HydrophobicContact CE2-CD2 4.16Å; F207-Y210 WeakPolarHBondContact O-CD2 3.5Å; F207-Y210 PolarHBondContact O-N 2.84Å; F207-Y210 VanDerWaalsContact O-N 3.12Å; F207-P211 HydrophobicContact CE1-CG 4.24Å; F207-P211 WeakPolarHBondContact O-CD 3.16Å; F207-I245 HydrophobicContact CE2-CG2 3.98Å; F207-I245 HydrophobicContact CZ-CB 4.28Å; F207-I245 HydrophobicContact CZ-CG2 3.51Å; F207-N339 HydrophobicContact CD2-CB 3.64Å; F207-N339 HydrophobicContact CE2-CB 3.39Å; F207-N339 WeakPolarHBondContact CE2-ND2 3.47Å; F207-N339 HydrophobicContact CZ-CB 4.33Å; F207-H340 WeakPolarHBondContact CB-CE1 3.25Å; F207-H340 VanDerWaalsContact CB-NE2 3.27Å; F207-H340 WeakPolarHBondContact CB-NE2 3.49Å; F207-H340 PolarHBondContact N-CE1 3.15Å; F207-H340 VanDerWaalsContact N-CE1 3.34Å
208	S	92.5	Very high	94.3	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-55.9	-17.6	174.9	-67.9	0	0	0	0	113.2	E202 S204 G205 F206 Y210 P211 I212	E202-S208 WeakPolarHBondContact O-CB 3.25Å; E202-S208 PolarHBondContact O-OG 3.22Å; S204-S208 PolarHBondContact N-OG 3.28Å; G205-S208 VanDerWaalsContact O-CB 3.31Å; G205-S208 WeakPolarHBondContact O-CB 3.22Å; G205-S208 PolarHBondContact O-N 3.26Å; G205-S208 PolarHBondContact O-OG 3.34Å; F206-S208 PolarHBondContact O-N 3.4Å; S208-Y210 VanDerWaalsContact C-N 3.25Å; S208-Y210 PolarHBondContact O-N 3.15Å; S208-P211 WeakPolarHBondContact O-CD 3.32Å; S208-I212 WeakPolarHBondContact O-CB 3.4Å; S208-I212 VanDerWaalsContact O-CD1 3.26Å; S208-I212 WeakPolarHBondContact O-CD1 3.41Å; S208-I212 WeakPolarHBondContact O-CG1 3.4Å; S208-I212 PolarHBondContact O-N 3.29Å
209	A	92.9	Very high	94.3	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-56.6	-38.7	175.9	0	0	0	0	0	112.7	L107 M110 T111 F206 F207 A213	L107-A209 HydrophobicContact CD1-CB 4.05Å; L107-A209 VanDerWaalsContact CD1-N 3.35Å; M110-A209 HydrophobicContact CB-CB 3.69Å; M110-A209 HydrophobicContact CE-CB 4.45Å; T111-A209 WeakPolarHBondContact OG1-CA 3.41Å; T111-A209 PolarHBondContact OG1-O 2.79Å; F206-A209 WeakPolarHBondContact O-CB 3.39Å; F206-A209 PolarHBondContact O-N 2.87Å; F207-A209 PolarHBondContact O-N 3.26Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 2.81Å
210	Y	91.3	Very high	94.3	Very high	18 Å²	18	9.6 Å²	9.6	7%	0.071	5%	0.048	C	C	.	.	H	α-helix	trans	-73.5	-51.7	-178.2	-57	-86.3	0	0	0	112.7	L114 F207 S208 I212 A213 H214 A248 G249 H252	L114-Y210 HydrophobicContact CD1-CD1 3.76Å; L114-Y210 HydrophobicContact CD1-CE1 4.14Å; L114-Y210 HydrophobicContact CD1-CG 4.27Å; L114-Y210 HydrophobicContact CD2-CD1 4.03Å; L114-Y210 HydrophobicContact CD2-CE1 3.64Å; F207-Y210 AromaticContact CD2-CD2 3.84Å; F207-Y210 HydrophobicContact CD2-CD2 3.84Å; F207-Y210 HydrophobicContact CD2-CE2 4.38Å; F207-Y210 HydrophobicContact CE2-CD2 4.16Å; F207-Y210 WeakPolarHBondContact O-CD2 3.5Å; F207-Y210 PolarHBondContact O-N 2.84Å; F207-Y210 VanDerWaalsContact O-N 3.12Å; S208-Y210 VanDerWaalsContact C-N 3.25Å; S208-Y210 PolarHBondContact O-N 3.15Å; Y210-I212 VanDerWaalsContact C-N 3.31Å; Y210-I212 PolarHBondContact O-N 2.84Å; Y210-A213 PolarHBondContact O-N 2.95Å; Y210-H214 WeakPolarHBondContact O-CB 3.28Å; Y210-H214 PolarHBondContact O-N 3.43Å; Y210-A248 VanDerWaalsContact OH-C 3.27Å; Y210-A248 PolarHBondContact OH-O 3.01Å; Y210-G249 WeakPolarHBondContact OH-CA 3.05Å; Y210-G249 PolarHBondContact OH-N 3.45Å; Y210-H252 HydrophobicContact CD1-CB 4.39Å; Y210-H252 HydrophobicContact CE1-CB 3.8Å; Y210-H252 AromaticContact CE1-CG 3.82Å; Y210-H252 AromaticContact CE1-ND1 3.99Å
211	P	93.3	Very high	94.2	Very high	4 Å²	4	10.2 Å²	10.2	3%	0.026	5%	0.054	C	C	.	.	H	α-helix	trans	-55.6	-42.8	170.1	-24.4	32.1	0	0	0	113.2	A183 F207 S208 A213 H214 E215 I245	A183-P211 HydrophobicContact CB-CB 3.73Å; A183-P211 HydrophobicContact CB-CG 3.75Å; F207-P211 HydrophobicContact CE1-CG 4.24Å; F207-P211 WeakPolarHBondContact O-CD 3.16Å; S208-P211 WeakPolarHBondContact O-CD 3.32Å; P211-A213 VanDerWaalsContact C-N 3.35Å; P211-A213 PolarHBondContact O-N 2.72Å; P211-H214 WeakPolarHBondContact O-CB 3.35Å; P211-H214 PolarHBondContact O-N 3.05Å; P211-E215 VanDerWaalsContact O-CG 3.3Å; P211-E215 WeakPolarHBondContact O-CG 3.47Å; P211-E215 PolarHBondContact O-N 3.32Å; P211-I245 HydrophobicContact CG-CD1 3.98Å
212	I	96.3	Very high	94.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.2	-47.8	178.3	-68.3	163.4	0	0	0	110.5	L107 T111 L173 L175 A201 S208 Y210 H214 E215 I216	L107-I212 HydrophobicContact CD1-CD1 4.43Å; L107-I212 HydrophobicContact CD2-CD1 3.81Å; L107-I212 HydrophobicContact CG-CD1 4.06Å; T111-I212 HydrophobicContact CG2-CB 4.31Å; T111-I212 HydrophobicContact CG2-CG2 3.75Å; L173-I212 HydrophobicContact CD1-CG1 4.25Å; L173-I212 HydrophobicContact CD1-CG2 4.16Å; L173-I212 HydrophobicContact CD2-CD1 4.11Å; L173-I212 HydrophobicContact CD2-CG1 4.31Å; L173-I212 HydrophobicContact CD2-CG2 3.75Å; L175-I212 HydrophobicContact CD1-CD1 4.35Å; A201-I212 HydrophobicContact CB-CD1 4.37Å; A201-I212 HydrophobicContact CB-CG1 3.53Å; S208-I212 WeakPolarHBondContact O-CB 3.4Å; S208-I212 VanDerWaalsContact O-CD1 3.26Å; S208-I212 WeakPolarHBondContact O-CD1 3.41Å; S208-I212 WeakPolarHBondContact O-CG1 3.4Å; S208-I212 PolarHBondContact O-N 3.29Å; Y210-I212 VanDerWaalsContact C-N 3.31Å; Y210-I212 PolarHBondContact O-N 2.84Å; I212-H214 VanDerWaalsContact C-N 3.35Å; I212-H214 PolarHBondContact O-N 3.09Å; I212-E215 PolarHBondContact O-N 2.96Å; I212-I216 HydrophobicContact CG2-CD1 3.82Å; I212-I216 HydrophobicContact CG2-CG1 4.48Å; I212-I216 VanDerWaalsContact O-CG1 3.29Å; I212-I216 WeakPolarHBondContact O-CG1 3.45Å; I212-I216 PolarHBondContact O-N 2.87Å
213	A	96.1	Very high	94.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-42.5	177.3	0	0	0	0	0	112.1	T111 L114 F115 A209 Y210 P211 I216 M217 I240 W254	T111-A213 HydrophobicContact CG2-CB 4.07Å; L114-A213 HydrophobicContact CB-CB 4.26Å; L114-A213 HydrophobicContact CD1-CB 3.65Å; F115-A213 HydrophobicContact CE2-CB 4.12Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 2.81Å; Y210-A213 PolarHBondContact O-N 2.95Å; P211-A213 VanDerWaalsContact C-N 3.35Å; P211-A213 PolarHBondContact O-N 2.72Å; A213-I216 PolarHBondContact O-N 3.38Å; A213-M217 VanDerWaalsContact O-CB 3.31Å; A213-M217 WeakPolarHBondContact O-CB 3.44Å; A213-M217 PolarHBondContact O-N 3.46Å; A213-I240 HydrophobicContact CB-CG2 4.45Å; A213-W254 HydrophobicContact CB-CH2 4.05Å; A213-W254 HydrophobicContact CB-CZ2 4.29Å
214	H	95.4	Very high	94	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	8%	0.076	C	C	.	.	H	α-helix	trans	-57.1	-49.8	175.8	-179.2	109.2	0	0	0	111.9	Y210 P211 I212 M217 H218 H224 I240 M241	Y210-H214 WeakPolarHBondContact O-CB 3.28Å; Y210-H214 PolarHBondContact O-N 3.43Å; P211-H214 WeakPolarHBondContact O-CB 3.35Å; P211-H214 PolarHBondContact O-N 3.05Å; I212-H214 VanDerWaalsContact C-N 3.35Å; I212-H214 PolarHBondContact O-N 3.09Å; H214-M217 WeakPolarHBondContact O-CB 3.48Å; H214-M217 PolarHBondContact O-N 3.22Å; H214-M217 VanDerWaalsContact O-N 3.17Å; H214-H218 AromaticContact CD2-CD2 3.46Å; H214-H218 PolarHBondContact CD2-CD2 3.45Å; H214-H218 VanDerWaalsContact CD2-CD2 3.46Å; H214-H218 AromaticContact CD2-NE2 3.34Å; H214-H218 PolarHBondContact CD2-NE2 2.03Å; H214-H218 VanDerWaalsContact CD2-NE2 3.34Å; H214-H218 AromaticContact CE1-NE2 3.96Å; H214-H218 AromaticContact NE2-CD2 3.58Å; H214-H218 AromaticContact NE2-CE1 3.95Å; H214-H218 AromaticContact NE2-NE2 2.92Å; H214-H218 PolarHBondContact NE2-NE2 3.28Å; H214-H218 PolarHBondContact O-N 2.95Å; H214-H224 AromaticContact CE1-CD2 3.51Å; H214-H224 AromaticContact CE1-NE2 3.83Å; H214-H224 AromaticContact NE2-CD2 3.43Å; H214-H224 PolarHBondContact NE2-CD2 3.1Å; H214-H224 AromaticContact NE2-NE2 3.34Å; H214-H224 PolarHBondContact NE2-NE2 3.15Å; H214-I240 HydrophobicContact CB-CG2 4.13Å; H214-I240 PolarHBondContact ND1-O 3.26Å; H214-M241 HydrophobicContact CB-SD 4.42Å
215	E	96.9	Very high	94.1	Very high	19 Å²	19	13.5 Å²	13.5	9%	0.089	7%	0.066	C	C	.	.	H	α-helix	trans	-68.9	-37	-179.3	-64.9	-47.5	146.5	0	0	113	G184 I185 S186 T199 P211 I212 M217 H218 S219	G184-E215 VanDerWaalsContact C-CD 3.48Å; I185-E215 VanDerWaalsContact C-OE2 3.29Å; I185-E215 VanDerWaalsContact CA-OE2 3.25Å; I185-E215 WeakPolarHBondContact CA-OE2 3.11Å; S186-E215 WeakPolarHBondContact CB-O 3.42Å; S186-E215 PolarHBondContact N-OE2 2.89Å; S186-E215 VanDerWaalsContact N-OE2 3.07Å; S186-E215 PolarHBondContact OG-O 3.22Å; T199-E215 HydrophobicContact CG2-CB 3.4Å; T199-E215 HydrophobicContact CG2-CG 4.02Å; P211-E215 VanDerWaalsContact O-CG 3.3Å; P211-E215 WeakPolarHBondContact O-CG 3.47Å; P211-E215 PolarHBondContact O-N 3.32Å; I212-E215 PolarHBondContact O-N 2.96Å; E215-M217 PolarHBondContact O-N 3.18Å; E215-H218 WeakPolarHBondContact O-CB 3.37Å; E215-H218 PolarHBondContact O-N 3.31Å; E215-H218 IonicContact OE2-CD2 3.85Å; E215-S219 PolarHBondContact O-N 3.05Å; E215-S219 VanDerWaalsContact O-N 3.12Å
216	I	97.5	Very high	93.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.1	-35	173.1	-68.2	174.2	0	0	0	110.3	I80 F115 L126 M191 I212 A213 S219 L220	I80-I216 HydrophobicContact CD1-CG2 3.79Å; F115-I216 HydrophobicContact CE1-CG2 4.23Å; F115-I216 HydrophobicContact CE2-CG2 4.39Å; F115-I216 HydrophobicContact CZ-CB 3.95Å; F115-I216 HydrophobicContact CZ-CG2 3.55Å; L126-I216 HydrophobicContact CD1-CD1 3.39Å; M191-I216 HydrophobicContact CE-CG2 4.06Å; I212-I216 HydrophobicContact CG2-CD1 3.82Å; I212-I216 HydrophobicContact CG2-CG1 4.48Å; I212-I216 VanDerWaalsContact O-CG1 3.29Å; I212-I216 WeakPolarHBondContact O-CG1 3.45Å; I212-I216 PolarHBondContact O-N 2.87Å; A213-I216 PolarHBondContact O-N 3.38Å; I216-S219 WeakPolarHBondContact O-CA 3.39Å; I216-S219 VanDerWaalsContact O-CB 3.23Å; I216-S219 WeakPolarHBondContact O-CB 3.35Å; I216-S219 PolarHBondContact O-N 2.9Å; I216-S219 VanDerWaalsContact O-N 3.08Å; I216-L220 PolarHBondContact O-N 3.38Å
217	M	96.7	Very high	93.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.4	-33.8	177.1	-162.9	59	73.6	0	0	112.5	F115 L120 A213 H214 E215 S219 L220 G221 V222 M241 W254 T258 L262	F115-M217 HydrophobicContact CD1-CE 4.31Å; F115-M217 HydrophobicContact CE1-CE 3.75Å; F115-M217 HydrophobicContact CZ-CE 4.49Å; L120-M217 HydrophobicContact CD1-CE 3.69Å; A213-M217 VanDerWaalsContact O-CB 3.31Å; A213-M217 WeakPolarHBondContact O-CB 3.44Å; A213-M217 PolarHBondContact O-N 3.46Å; H214-M217 WeakPolarHBondContact O-CB 3.48Å; H214-M217 PolarHBondContact O-N 3.22Å; H214-M217 VanDerWaalsContact O-N 3.17Å; E215-M217 PolarHBondContact O-N 3.18Å; M217-S219 VanDerWaalsContact C-N 3.32Å; M217-S219 PolarHBondContact O-N 3.46Å; M217-L220 HydrophobicContact CE-CD1 4.28Å; M217-L220 CarbonylContact O-C 3.57Å; M217-L220 WeakPolarHBondContact O-CA 3.49Å; M217-L220 WeakPolarHBondContact O-CB 3.42Å; M217-L220 PolarHBondContact O-N 3.32Å; M217-L220 VanDerWaalsContact O-N 3.13Å; M217-L220 HydrophobicContact SD-CB 4.23Å; M217-L220 HydrophobicContact SD-CD1 3.79Å; M217-G221 PolarHBondContact O-N 2.76Å; M217-G221 VanDerWaalsContact O-N 3.16Å; M217-V222 HydrophobicContact CG-CB 3.71Å; M217-V222 HydrophobicContact CG-CG1 4.19Å; M217-V222 HydrophobicContact CG-CG2 3.59Å; M217-V222 PolarHBondContact O-N 3.09Å; M217-V222 VanDerWaalsContact O-N 3.12Å; M217-V222 HydrophobicContact SD-CB 4.41Å; M217-V222 HydrophobicContact SD-CG2 3.6Å; M217-M241 HydrophobicContact CB-CE 4.25Å; M217-M241 HydrophobicContact CB-SD 3.51Å; M217-M241 VanDerWaalsContact CB-SD 3.51Å; M217-M241 HydrophobicContact CG-CE 4.33Å; M217-M241 HydrophobicContact CG-CG 4.03Å; M217-M241 HydrophobicContact CG-SD 3.59Å; M217-M241 VanDerWaalsContact CG-SD 3.59Å; M217-W254 HydrophobicContact CB-CH2 4.07Å; M217-W254 HydrophobicContact CB-CZ3 3.87Å; M217-W254 HydrophobicContact CE-CD2 4.12Å; M217-W254 HydrophobicContact CE-CE3 3.84Å; M217-W254 HydrophobicContact CE-CH2 3.34Å; M217-W254 HydrophobicContact CE-CZ2 3.66Å; M217-W254 HydrophobicContact CE-CZ3 3.45Å; M217-W254 VanDerWaalsContact CE-CZ3 3.45Å; M217-W254 HydrophobicContact CG-CE3 4.28Å; M217-W254 HydrophobicContact CG-CH2 4.17Å; M217-W254 HydrophobicContact CG-CZ3 3.61Å; M217-W254 HydrophobicContact SD-CZ3 4.35Å; M217-T258 HydrophobicContact CE-CG2 4.08Å; M217-T258 HydrophobicContact CG-CG2 3.98Å; M217-T258 HydrophobicContact SD-CG2 3.8Å; M217-L262 HydrophobicContact CE-CD1 3.98Å; M217-L262 HydrophobicContact SD-CD1 3.79Å; M217-L262 HydrophobicContact SD-CD2 3.82Å; M217-L262 HydrophobicContact SD-CG 4.07Å
218	H	96.4	Very high	93.2	Very high	21 Å²	21	22.6 Å²	22.6	10%	0.097	14%	0.141	C	C	.	.	H	α-helix	trans	-57.8	-43.5	164.3	-78.5	-56.2	0	0	0	111.6	L188 S189 H214 E215 L220 G221 V222 H224	L188-H218 CarbonylContact C-O 3.46Å; L188-H218 WeakPolarHBondContact CA-O 3.42Å; L188-H218 HydrophobicContact CD1-CB 4.36Å; L188-H218 WeakPolarHBondContact CD1-O 3.46Å; S189-H218 PolarHBondContact N-O 3.08Å; H214-H218 AromaticContact CD2-CD2 3.46Å; H214-H218 PolarHBondContact CD2-CD2 3.45Å; H214-H218 VanDerWaalsContact CD2-CD2 3.46Å; H214-H218 AromaticContact CD2-NE2 3.34Å; H214-H218 PolarHBondContact CD2-NE2 2.03Å; H214-H218 VanDerWaalsContact CD2-NE2 3.34Å; H214-H218 AromaticContact CE1-NE2 3.96Å; H214-H218 AromaticContact NE2-CD2 3.58Å; H214-H218 AromaticContact NE2-CE1 3.95Å; H214-H218 AromaticContact NE2-NE2 2.92Å; H214-H218 PolarHBondContact NE2-NE2 3.28Å; H214-H218 PolarHBondContact O-N 2.95Å; E215-H218 WeakPolarHBondContact O-CB 3.37Å; E215-H218 PolarHBondContact O-N 3.31Å; E215-H218 IonicContact OE2-CD2 3.85Å; H218-L220 PolarHBondContact O-N 2.99Å; H218-G221 VanDerWaalsContact O-CA 3.3Å; H218-G221 WeakPolarHBondContact O-CA 3.34Å; H218-G221 PolarHBondContact O-N 2.72Å; H218-V222 WeakPolarHBondContact CA-O 3.47Å; H218-V222 PolarHBondContact ND1-O 3.14Å; H218-H224 AromaticContact CE1-CD2 3.49Å; H218-H224 PolarHBondContact CE1-CD2 3.43Å; H218-H224 VanDerWaalsContact CE1-CD2 3.49Å; H218-H224 AromaticContact CE1-NE2 3.5Å; H218-H224 AromaticContact NE2-CD2 3.53Å; H218-H224 AromaticContact NE2-NE2 3.25Å; H218-H224 PolarHBondContact NE2-NE2 3.23Å
219	S	96.8	Very high	92.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-33.9	175.2	-96.6	0	0	0	0	112.6	H171 S186 S189 Q190 M191 E215 I216 M217 G221	H171-S219 PolarHBondContact CE1-OG 3.32Å; S186-S219 WeakPolarHBondContact OG-CB 3.41Å; S186-S219 PolarHBondContact OG-N 3.22Å; S186-S219 PolarHBondContact OG-OG 2.92Å; S189-S219 CarbonylContact C-O 3.23Å; S189-S219 WeakPolarHBondContact CA-O 3.22Å; S189-S219 PolarHBondContact N-O 2.87Å; Q190-S219 PolarHBondContact N-O 3.39Å; M191-S219 VanDerWaalsContact CB-O 3.29Å; M191-S219 WeakPolarHBondContact CB-O 3.3Å; M191-S219 PolarHBondContact N-O 3.12Å; E215-S219 PolarHBondContact O-N 3.05Å; E215-S219 VanDerWaalsContact O-N 3.12Å; I216-S219 WeakPolarHBondContact O-CA 3.39Å; I216-S219 VanDerWaalsContact O-CB 3.23Å; I216-S219 WeakPolarHBondContact O-CB 3.35Å; I216-S219 PolarHBondContact O-N 2.9Å; I216-S219 VanDerWaalsContact O-N 3.08Å; M217-S219 VanDerWaalsContact C-N 3.32Å; M217-S219 PolarHBondContact O-N 3.46Å; S219-G221 PolarHBondContact O-N 3.06Å
220	L	96.6	Very high	92.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-72.5	-8.1	171.4	-68	163.7	0	0	0	113.1	I80 F115 M124 M191 I216 M217 H218 L262 F271 L274	I80-L220 HydrophobicContact CD1-CD1 4.15Å; F115-L220 HydrophobicContact CE1-CD1 4.14Å; M124-L220 HydrophobicContact CE-CD1 4.32Å; M124-L220 HydrophobicContact CE-CD2 4.43Å; M124-L220 HydrophobicContact SD-CD1 3.76Å; M191-L220 HydrophobicContact CB-CD2 4Å; M191-L220 HydrophobicContact CE-CD2 4.27Å; M191-L220 HydrophobicContact CE-CG 4.27Å; M191-L220 HydrophobicContact CG-CD2 3.74Å; I216-L220 PolarHBondContact O-N 3.38Å; M217-L220 HydrophobicContact CE-CD1 4.28Å; M217-L220 CarbonylContact O-C 3.57Å; M217-L220 WeakPolarHBondContact O-CA 3.49Å; M217-L220 WeakPolarHBondContact O-CB 3.42Å; M217-L220 PolarHBondContact O-N 3.32Å; M217-L220 VanDerWaalsContact O-N 3.13Å; M217-L220 HydrophobicContact SD-CB 4.23Å; M217-L220 HydrophobicContact SD-CD1 3.79Å; H218-L220 PolarHBondContact O-N 2.99Å; L220-L262 HydrophobicContact CB-CD2 3.72Å; L220-L262 HydrophobicContact CD1-CD2 3.87Å; L220-L262 HydrophobicContact CD2-CD2 4.39Å; L220-L262 HydrophobicContact CG-CD2 4.21Å; L220-F271 HydrophobicContact CB-CZ 4.36Å; L220-F271 HydrophobicContact CD2-CD1 4.03Å; L220-F271 HydrophobicContact CD2-CE1 3.86Å; L220-F271 HydrophobicContact CD2-CE2 4.49Å; L220-F271 HydrophobicContact CD2-CG 4.45Å; L220-F271 HydrophobicContact CD2-CZ 4.11Å; L220-F271 WeakPolarHBondContact O-CZ 3.34Å; L220-L274 HydrophobicContact CD2-CD1 3.81Å
221	G	95.1	Very high	92.4	Very high	13 Å²	13	29.6 Å²	29.6	13%	0.134	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	15.3	172.2	0	0	0	0	0	114.5	S189 M217 H218 S219	S189-G221 WeakPolarHBondContact OG-CA 3.25Å; M217-G221 PolarHBondContact O-N 2.76Å; M217-G221 VanDerWaalsContact O-N 3.16Å; H218-G221 VanDerWaalsContact O-CA 3.3Å; H218-G221 WeakPolarHBondContact O-CA 3.34Å; H218-G221 PolarHBondContact O-N 2.72Å; S219-G221 PolarHBondContact O-N 3.06Å
222	V	95	Very high	91.5	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-84.6	127	174.5	-174.1	0	0	0	0	108.5	M217 H218 M241 T258 V261 L262	M217-V222 HydrophobicContact CG-CB 3.71Å; M217-V222 HydrophobicContact CG-CG1 4.19Å; M217-V222 HydrophobicContact CG-CG2 3.59Å; M217-V222 PolarHBondContact O-N 3.09Å; M217-V222 VanDerWaalsContact O-N 3.12Å; M217-V222 HydrophobicContact SD-CB 4.41Å; M217-V222 HydrophobicContact SD-CG2 3.6Å; H218-V222 WeakPolarHBondContact CA-O 3.47Å; H218-V222 PolarHBondContact ND1-O 3.14Å; V222-M241 HydrophobicContact CB-CE 4.23Å; V222-M241 HydrophobicContact CG1-CE 4.08Å; V222-M241 HydrophobicContact CG1-CG 3.91Å; V222-T258 HydrophobicContact CG1-CG2 4.19Å; V222-T258 HydrophobicContact CG2-CG2 4.17Å; V222-V261 HydrophobicContact CG2-CB 4.05Å; V222-V261 HydrophobicContact CG2-CG1 3.81Å; V222-L262 HydrophobicContact CG2-CD2 4.42Å; V222-L262 HydrophobicContact CG2-CG 4.43Å
223	E	93.3	Very high	90.1	Very high	98 Å²	98	45.4 Å²	45.4	46%	0.458	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-86.7	173.1	173.3	-64.9	177.7	167.2	0	0	110.4	L188	L188-E223 HydrophobicContact CD1-CG 4.04Å; L188-E223 HydrophobicContact CD2-CG 3.9Å
224	H	92.1	Very high	88.5	Confident	48 Å²	48	46 Å²	46	22%	0.222	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-61.6	144.6	177	-60.5	136	0	0	0	112.3	H214 H218 G226 E227 N229 M241 P243	H214-H224 AromaticContact CE1-CD2 3.51Å; H214-H224 AromaticContact CE1-NE2 3.83Å; H214-H224 AromaticContact NE2-CD2 3.43Å; H214-H224 PolarHBondContact NE2-CD2 3.1Å; H214-H224 AromaticContact NE2-NE2 3.34Å; H214-H224 PolarHBondContact NE2-NE2 3.15Å; H218-H224 AromaticContact CE1-CD2 3.49Å; H218-H224 PolarHBondContact CE1-CD2 3.43Å; H218-H224 VanDerWaalsContact CE1-CD2 3.49Å; H218-H224 AromaticContact CE1-NE2 3.5Å; H218-H224 AromaticContact NE2-CD2 3.53Å; H218-H224 AromaticContact NE2-NE2 3.25Å; H218-H224 PolarHBondContact NE2-NE2 3.23Å; H224-G226 PolarHBondContact O-N 3.36Å; H224-E227 HydrophobicContact CB-CB 4.05Å; H224-E227 IonicContact CG-OE2 3.74Å; H224-E227 IonicContact ND1-OE2 3.27Å; H224-E227 PolarHBondContact ND1-OE2 2.89Å; H224-E227 PolarHBondContact O-N 3.33Å; H224-E227 VanDerWaalsContact O-N 3.14Å; H224-N229 PolarHBondContact O-ND2 2.88Å; H224-M241 CarbonylContact C-O 3.55Å; H224-M241 VanDerWaalsContact CA-O 3.3Å; H224-M241 WeakPolarHBondContact CA-O 3.42Å; H224-P243 HydrophobicContact CB-CG 3.79Å
225	D	90.5	Very high	86.5	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.037	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	131.7	172.1	-67.3	-39.2	0	0	0	111.1	E227 C231 S234 N239 M241 P243 S255	D225-E227 VanDerWaalsContact C-N 3.26Å; D225-E227 PolarHBondContact O-N 2.04Å; D225-C231 HydrophobicContact CB-CB 3.91Å; D225-S234 WeakPolarHBondContact OD2-CB 3.17Å; D225-N239 VanDerWaalsContact OD2-CB 3.26Å; D225-N239 WeakPolarHBondContact OD2-CB 3.32Å; D225-M241 PolarHBondContact N-O 2.6Å; D225-P243 WeakPolarHBondContact O-CD 3.5Å; D225-S255 WeakPolarHBondContact OD1-CB 3.24Å; D225-S255 PolarHBondContact OD1-OG 2.88Å; D225-S255 WeakPolarHBondContact OD2-CB 3.37Å
226	G	85.5	Confident	84.7	Confident	30 Å²	30	50.4 Å²	50.4	31%	0.309	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-5.6	-176.7	0	0	0	0	0	115	H224 G228 N229 C231 D232	H224-G226 PolarHBondContact O-N 3.36Å; G226-G228 PolarHBondContact O-N 3.5Å; G226-N229 PolarHBondContact N-OD1 3.19Å; G226-C231 PolarHBondContact N-O 3.24Å; G226-D232 VanDerWaalsContact CA-OD1 3.3Å; G226-D232 WeakPolarHBondContact CA-OD1 3.48Å
227	E	85	Confident	83.2	Confident	113 Å²	113	53.1 Å²	53.1	53%	0.528	32%	0.315	S	S	.	.	S	Bend	trans	-93.5	96.9	171.1	-165.9	170.5	177.1	0	0	108.9	H224 D225 N229	H224-E227 HydrophobicContact CB-CB 4.05Å; H224-E227 IonicContact CG-OE2 3.74Å; H224-E227 IonicContact ND1-OE2 3.27Å; H224-E227 PolarHBondContact ND1-OE2 2.89Å; H224-E227 PolarHBondContact O-N 3.33Å; H224-E227 VanDerWaalsContact O-N 3.14Å; D225-E227 VanDerWaalsContact C-N 3.26Å; D225-E227 PolarHBondContact O-N 2.04Å; E227-N229 PolarHBondContact O-N 3.38Å; E227-N229 PolarHBondContact O-ND2 3.47Å; E227-N229 VanDerWaalsContact O-ND2 3.15Å
228	G	81	Confident	81.9	Confident	87 Å²	87	53.1 Å²	53.1	90%	0.897	32%	0.316	S	S	*	.	S	Bend	trans	72.4	6	178.5	0	0	0	0	0	115.6	G226	G226-G228 PolarHBondContact O-N 3.5Å
229	N	87	Confident	81.4	Confident	41 Å²	41	52.3 Å²	52.3	22%	0.219	31%	0.312	C	S	.	.	S	Bend	trans	-132	169.3	178.8	63.5	65.1	0	0	0	112.2	H224 G226 E227 C231 C257	H224-N229 PolarHBondContact O-ND2 2.88Å; G226-N229 PolarHBondContact N-OD1 3.19Å; E227-N229 PolarHBondContact O-N 3.38Å; E227-N229 PolarHBondContact O-ND2 3.47Å; E227-N229 VanDerWaalsContact O-ND2 3.15Å; N229-C231 PolarHBondContact O-N 2.84Å; N229-C231 WeakPolarHBondContact OD1-CB 3.36Å; N229-C231 PolarHBondContact OD1-N 3.44Å; N229-C231 VanDerWaalsContact OD1-N 3.1Å; N229-C257 HydrophobicContact CB-CB 4.45Å
230	S	87.3	Confident	81	Confident	109 Å²	109	52.5 Å²	52.5	76%	0.762	31%	0.313	S	S	*	.	S	Bend	trans	-78.8	6.2	-173.7	56	0	0	0	0	115	D232	S230-D232 VanDerWaalsContact C-N 3.31Å; S230-D232 PolarHBondContact O-N 2.58Å
231	C	85.4	Confident	80.8	Confident	16 Å²	16	52.5 Å²	52.5	11%	0.108	31%	0.313	C	S	.	.			trans	-92.9	39.2	-173.6	-68.2	0	0	0	0	112.6	D225 G226 N229 R233 S234 C257	D225-C231 HydrophobicContact CB-CB 3.91Å; G226-C231 PolarHBondContact N-O 3.24Å; N229-C231 PolarHBondContact O-N 2.84Å; N229-C231 WeakPolarHBondContact OD1-CB 3.36Å; N229-C231 PolarHBondContact OD1-N 3.44Å; N229-C231 VanDerWaalsContact OD1-N 3.1Å; C231-R233 VanDerWaalsContact C-N 3.3Å; C231-R233 PolarHBondContact O-N 2.59Å; C231-S234 WeakPolarHBondContact CB-OG 3.49Å; C231-S234 WeakPolarHBondContact O-CB 3.49Å; C231-S234 PolarHBondContact O-N 2.6Å; C231-S234 PolarHBondContact O-OG 3.02Å; C231-C257 HydrophobicContact CB-CB 3.96Å; C231-C257 WeakPolarHBondContact CB-SG 3.35Å; C231-C257 WeakPolarHBondContact SG-CB 3Å; C231-C257 PolarHBondContact SG-N 3.47Å; C231-C257 VanDerWaalsContact SG-N 3.35Å; C231-C257 CovalentContact SG-SG 2.04Å; C231-C257 PolarHBondContact SG-SG 3.09Å
232	D	75.7	Confident	80.5	Confident	120 Å²	120	51.9 Å²	51.9	64%	0.642	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.1	-173	-58.3	-44.6	0	0	0	115.3	G226 S230 S234	G226-D232 VanDerWaalsContact CA-OD1 3.3Å; G226-D232 WeakPolarHBondContact CA-OD1 3.48Å; S230-D232 VanDerWaalsContact C-N 3.31Å; S230-D232 PolarHBondContact O-N 2.58Å; D232-S234 PolarHBondContact O-N 3.2Å
233	R	66.2	Low	80.1	Confident	217 Å²	217	55.9 Å²	55.9	82%	0.819	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	5	-177.1	-65	-173.8	-179.8	-174.3	0.3	113.5	C231 G235 S236	C231-R233 VanDerWaalsContact C-N 3.3Å; C231-R233 PolarHBondContact O-N 2.59Å; R233-G235 VanDerWaalsContact C-N 3.32Å; R233-G235 PolarHBondContact O-N 2.9Å; R233-S236 PolarHBondContact O-N 2.78Å; R233-S236 PolarHBondContact O-OG 3.37Å
234	S	62	Low	79.5	Confident	11 Å²	11	56.8 Å²	56.8	8%	0.077	34%	0.34	C	S	.	.			trans	-72.6	-25.5	-166.6	-66	0	0	0	0	114.1	D225 C231 D232 S236 T237 N239	D225-S234 WeakPolarHBondContact OD2-CB 3.17Å; C231-S234 WeakPolarHBondContact CB-OG 3.49Å; C231-S234 WeakPolarHBondContact O-CB 3.49Å; C231-S234 PolarHBondContact O-N 2.6Å; C231-S234 PolarHBondContact O-OG 3.02Å; D232-S234 PolarHBondContact O-N 3.2Å; S234-S236 PolarHBondContact O-N 2.62Å; S234-T237 PolarHBondContact O-N 3.05Å; S234-T237 PolarHBondContact O-OG1 3.14Å; S234-N239 WeakPolarHBondContact CA-ND2 3.46Å; S234-N239 WeakPolarHBondContact CB-ND2 3.33Å; S234-N239 WeakPolarHBondContact O-CB 3.43Å; S234-N239 PolarHBondContact O-N 2.77Å; S234-N239 PolarHBondContact O-ND2 3.11Å; S234-N239 PolarHBondContact OG-ND2 3.38Å
235	G	54	Low	78.6	Confident	22 Å²	22	56.7 Å²	56.7	23%	0.227	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-60	-45.9	176.4	0	0	0	0	0	112.7	R233 T237 G238 L246	R233-G235 VanDerWaalsContact C-N 3.32Å; R233-G235 PolarHBondContact O-N 2.9Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 2.91Å; G235-G238 PolarHBondContact O-N 3.41Å; G235-L246 VanDerWaalsContact O-CD1 3.25Å; G235-L246 WeakPolarHBondContact O-CD1 3.07Å
236	S	59	Low	77.8	Confident	102 Å²	102	60.1 Å²	60.1	71%	0.713	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-75.5	-12.6	-175.7	59.2	0	0	0	0	114.3	R233 S234	R233-S236 PolarHBondContact O-N 2.78Å; R233-S236 PolarHBondContact O-OG 3.37Å; S234-S236 PolarHBondContact O-N 2.62Å
237	T	65.7	Low	76.8	Confident	56 Å²	56	58.8 Å²	58.8	34%	0.344	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-96.7	-4.8	-180	66.2	0	0	0	0	112.8	S234 G235 N239 N251 H253	S234-T237 PolarHBondContact O-N 3.05Å; S234-T237 PolarHBondContact O-OG1 3.14Å; G235-T237 VanDerWaalsContact C-N 3.26Å; G235-T237 PolarHBondContact O-N 2.91Å; T237-N239 PolarHBondContact OG1-ND2 3.14Å; T237-N251 PolarHBondContact O-ND2 2.02Å; T237-N251 PolarHBondContact O-OD1 2.97Å; T237-H253 WeakPolarHBondContact CB-NE2 3.14Å; T237-H253 PolarHBondContact O-NE2 2.93Å; T237-H253 PolarHBondContact OG1-CE1 2.86Å; T237-H253 VanDerWaalsContact OG1-CE1 3.3Å; T237-H253 PolarHBondContact OG1-NE2 3.19Å
238	G	71	Confident	76	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.01	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	25.7	-179.4	0	0	0	0	0	113.7	G235 I240 S247 H252	G235-G238 PolarHBondContact O-N 3.41Å; G238-I240 PolarHBondContact O-N 2.78Å; G238-S247 PolarHBondContact O-OG 3.41Å; G238-H252 WeakPolarHBondContact O-CA 3.12Å
239	N	84.2	Confident	75	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-61.4	138.9	174.1	-76	-81	0	0	0	111.4	D225 S234 T237 M241 A242 S247 H253 S255	D225-N239 VanDerWaalsContact OD2-CB 3.26Å; D225-N239 WeakPolarHBondContact OD2-CB 3.32Å; S234-N239 WeakPolarHBondContact CA-ND2 3.46Å; S234-N239 WeakPolarHBondContact CB-ND2 3.33Å; S234-N239 WeakPolarHBondContact O-CB 3.43Å; S234-N239 PolarHBondContact O-N 2.77Å; S234-N239 PolarHBondContact O-ND2 3.11Å; S234-N239 PolarHBondContact OG-ND2 3.38Å; T237-N239 PolarHBondContact OG1-ND2 3.14Å; N239-M241 VanDerWaalsContact C-N 3.29Å; N239-M241 PolarHBondContact O-N 2.67Å; N239-A242 WeakPolarHBondContact O-CB 3.43Å; N239-A242 PolarHBondContact O-N 3.13Å; N239-S247 PolarHBondContact O-OG 3.48Å; N239-H253 CarbonylContact C-O 3.58Å; N239-H253 WeakPolarHBondContact CA-O 3.31Å; N239-H253 PolarHBondContact ND2-CE1 2.86Å; N239-H253 PolarHBondContact OD1-CE1 3.46Å; N239-H253 PolarHBondContact OD1-ND1 3.44Å; N239-S255 VanDerWaalsContact OD1-CA 3.29Å; N239-S255 WeakPolarHBondContact OD1-CA 2.95Å; N239-S255 WeakPolarHBondContact OD1-CB 3.02Å; N239-S255 PolarHBondContact OD1-N 3.45Å; N239-S255 VanDerWaalsContact OD1-N 3.13Å
240	I	90.3	Very high	73.9	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-37.1	-179.6	-64.5	165.2	0	0	0	110.9	L114 A213 H214 G238 A242 S247 H252 H253 W254	L114-I240 HydrophobicContact CB-CD1 4.22Å; L114-I240 HydrophobicContact CD1-CD1 4.48Å; L114-I240 HydrophobicContact CD2-CD1 4.22Å; A213-I240 HydrophobicContact CB-CG2 4.45Å; H214-I240 HydrophobicContact CB-CG2 4.13Å; H214-I240 PolarHBondContact ND1-O 3.26Å; G238-I240 PolarHBondContact O-N 2.78Å; I240-A242 VanDerWaalsContact C-N 3.28Å; I240-A242 PolarHBondContact O-N 3.45Å; I240-S247 WeakPolarHBondContact CA-OG 3.43Å; I240-H252 HydrophobicContact CG1-CB 4.35Å; I240-H253 PolarHBondContact N-O 2.63Å; I240-W254 HydrophobicContact CB-CD2 4.39Å; I240-W254 HydrophobicContact CB-CE3 3.85Å; I240-W254 HydrophobicContact CB-CH2 4.1Å; I240-W254 HydrophobicContact CB-CZ3 3.69Å; I240-W254 HydrophobicContact CD1-CD2 3.87Å; I240-W254 HydrophobicContact CD1-CE3 4.18Å; I240-W254 HydrophobicContact CD1-CG 4.48Å; I240-W254 HydrophobicContact CD1-CH2 4Å; I240-W254 HydrophobicContact CD1-CZ2 3.63Å; I240-W254 HydrophobicContact CD1-CZ3 4.24Å; I240-W254 HydrophobicContact CG2-CE3 4.17Å; I240-W254 HydrophobicContact CG2-CH2 3.57Å; I240-W254 HydrophobicContact CG2-CZ2 4.32Å; I240-W254 HydrophobicContact CG2-CZ3 3.47Å; I240-W254 VanDerWaalsContact CG2-CZ3 3.47Å
241	M	92.3	Very high	73.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	10.5	-179.5	-65.1	-51.8	-64.2	0	0	114.7	H214 M217 V222 H224 D225 N239 W254 T258	H214-M241 HydrophobicContact CB-SD 4.42Å; M217-M241 HydrophobicContact CB-CE 4.25Å; M217-M241 HydrophobicContact CB-SD 3.51Å; M217-M241 VanDerWaalsContact CB-SD 3.51Å; M217-M241 HydrophobicContact CG-CE 4.33Å; M217-M241 HydrophobicContact CG-CG 4.03Å; M217-M241 HydrophobicContact CG-SD 3.59Å; M217-M241 VanDerWaalsContact CG-SD 3.59Å; V222-M241 HydrophobicContact CB-CE 4.23Å; V222-M241 HydrophobicContact CG1-CE 4.08Å; V222-M241 HydrophobicContact CG1-CG 3.91Å; H224-M241 CarbonylContact C-O 3.55Å; H224-M241 VanDerWaalsContact CA-O 3.3Å; H224-M241 WeakPolarHBondContact CA-O 3.42Å; D225-M241 PolarHBondContact N-O 2.6Å; N239-M241 VanDerWaalsContact C-N 3.29Å; N239-M241 PolarHBondContact O-N 2.67Å; M241-W254 HydrophobicContact CG-CE3 4.05Å; M241-W254 HydrophobicContact CG-CZ3 3.89Å; M241-W254 HydrophobicContact SD-CZ3 3.96Å; M241-T258 WeakPolarHBondContact CG-OG1 3.43Å
242	A	89	Confident	72.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-65.1	142.1	172.4	0	0	0	0	0	111.2	N239 I240 L244	N239-A242 WeakPolarHBondContact O-CB 3.43Å; N239-A242 PolarHBondContact O-N 3.13Å; I240-A242 VanDerWaalsContact C-N 3.28Å; I240-A242 PolarHBondContact O-N 3.45Å; A242-L244 PolarHBondContact O-N 2.8Å; A242-L244 VanDerWaalsContact O-N 3.17Å
243	P	85.1	Confident	73.1	Confident	87 Å²	87	48.1 Å²	48.1	57%	0.565	26%	0.26	S	S	*	.	S	Bend	trans	-59.2	-27.7	175.8	-20.3	26.2	0	0	0	114	H224 D225	H224-P243 HydrophobicContact CB-CG 3.79Å; D225-P243 WeakPolarHBondContact O-CD 3.5Å
244	L	80.5	Confident	74.2	Confident	117 Å²	117	37.9 Å²	37.9	61%	0.613	22%	0.222	S	C	*	.	S	Bend	trans	-109.3	122.4	173.9	-178.1	68.4	0	0	0	109	A242 L246	A242-L244 PolarHBondContact O-N 2.8Å; A242-L244 VanDerWaalsContact O-N 3.17Å; L244-L246 HydrophobicContact CD2-CD1 4.25Å; L244-L246 HydrophobicContact CD2-CD2 4.07Å; L244-L246 HydrophobicContact CD2-CG 4.16Å; L244-L246 HydrophobicContact CG-CD2 4.27Å; L244-L246 HydrophobicContact CG-CG 4.19Å; L244-L246 PolarHBondContact O-N 3.23Å
245	I	74	Confident	75.5	Confident	46 Å²	46	37.5 Å²	37.5	24%	0.236	22%	0.219	C	C	.	.			trans	-74	96	-177	-53.3	159.1	0	0	0	109.9	A183 F207 P211 N339	A183-I245 HydrophobicContact CB-CD1 3.79Å; F207-I245 HydrophobicContact CE2-CG2 3.98Å; F207-I245 HydrophobicContact CZ-CB 4.28Å; F207-I245 HydrophobicContact CZ-CG2 3.51Å; P211-I245 HydrophobicContact CG-CD1 3.98Å; I245-N339 PolarHBondContact O-ND2 2.87Å
246	L	73.2	Confident	77.1	Confident	80 Å²	80	41.2 Å²	41.2	42%	0.419	23%	0.234	S	C	.	.			trans	-105.7	-1.2	171.8	-63.1	179.8	0	0	0	112.5	G235 L244	G235-L246 VanDerWaalsContact O-CD1 3.25Å; G235-L246 WeakPolarHBondContact O-CD1 3.07Å; L244-L246 HydrophobicContact CD2-CD1 4.25Å; L244-L246 HydrophobicContact CD2-CD2 4.07Å; L244-L246 HydrophobicContact CD2-CG 4.16Å; L244-L246 HydrophobicContact CG-CD2 4.27Å; L244-L246 HydrophobicContact CG-CG 4.19Å; L244-L246 PolarHBondContact O-N 3.23Å
247	S	66.1	Low	78.7	Confident	1 Å²	1	37 Å²	37	1%	0.007	20%	0.204	C	C	.	.			trans	-63.4	136.2	173.8	-54.7	0	0	0	0	110.9	G238 N239 I240 N251	G238-S247 PolarHBondContact O-OG 3.41Å; N239-S247 PolarHBondContact O-OG 3.48Å; I240-S247 WeakPolarHBondContact CA-OG 3.43Å; S247-N251 WeakPolarHBondContact CA-O 3.22Å
248	A	67	Low	80	Confident	5 Å²	5	34.3 Å²	34.3	4%	0.041	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-140.3	170.2	-179.9	0	0	0	0	0	110.8	Y210 H250 N251 H252 N339	Y210-A248 VanDerWaalsContact OH-C 3.27Å; Y210-A248 PolarHBondContact OH-O 3.01Å; A248-H250 PolarHBondContact O-N 3.07Å; A248-N251 PolarHBondContact N-O 2.87Å; A248-N251 CarbonylContact O-C 3.58Å; A248-N251 PolarHBondContact O-N 3.27Å; A248-H252 PolarHBondContact O-ND1 2.97Å; A248-N339 HydrophobicContact CB-CB 4.2Å
249	G	60.6	Low	81	Confident	21 Å²	21	36.8 Å²	36.8	22%	0.216	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-41.2	178.5	0	0	0	0	0	114.4	Y210 H252	Y210-G249 WeakPolarHBondContact OH-CA 3.05Å; Y210-G249 PolarHBondContact OH-N 3.45Å; G249-H252 PolarHBondContact O-CE1 3.44Å; G249-H252 PolarHBondContact O-ND1 3.3Å
250	H	63.6	Low	81.4	Confident	91 Å²	91	41.8 Å²	41.8	42%	0.421	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-8.1	-175.9	63.6	-88.3	0	0	0	114.4	A248 Q321	A248-H250 PolarHBondContact O-N 3.07Å; H250-Q321 HydrophobicContact CB-CB 4.33Å; H250-Q321 HydrophobicContact CB-CG 3.92Å
251	N	71.8	Confident	81.6	Confident	66 Å²	66	44.2 Å²	44.2	35%	0.353	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-150.1	94	-176.9	-173.2	37	0	0	0	111	T237 S247 A248	T237-N251 PolarHBondContact O-ND2 2.02Å; T237-N251 PolarHBondContact O-OD1 2.97Å; S247-N251 WeakPolarHBondContact CA-O 3.22Å; A248-N251 PolarHBondContact N-O 2.87Å; A248-N251 CarbonylContact O-C 3.58Å; A248-N251 PolarHBondContact O-N 3.27Å
252	H	79	Confident	81.6	Confident	29 Å²	29	44.2 Å²	44.2	13%	0.134	24%	0.238	C	C	.	.			trans	-149.1	141.1	175	56.5	-86.5	0	0	0	109.7	L114 H117 Y210 G238 I240 A248 G249	L114-H252 WeakPolarHBondContact CD2-CD2 3.4Å; H117-H252 PolarHBondContact NE2-O 3.33Å; Y210-H252 HydrophobicContact CD1-CB 4.39Å; Y210-H252 HydrophobicContact CE1-CB 3.8Å; Y210-H252 AromaticContact CE1-CG 3.82Å; Y210-H252 AromaticContact CE1-ND1 3.99Å; G238-H252 WeakPolarHBondContact O-CA 3.12Å; I240-H252 HydrophobicContact CG1-CB 4.35Å; A248-H252 PolarHBondContact O-ND1 2.97Å; G249-H252 PolarHBondContact O-CE1 3.44Å; G249-H252 PolarHBondContact O-ND1 3.3Å
253	H	81.2	Confident	81.7	Confident	50 Å²	50	47.5 Å²	47.5	23%	0.231	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-157.7	166	172.3	61.2	91.4	0	0	0	110.8	T237 N239 I240	T237-H253 WeakPolarHBondContact CB-NE2 3.14Å; T237-H253 PolarHBondContact O-NE2 2.93Å; T237-H253 PolarHBondContact OG1-CE1 2.86Å; T237-H253 VanDerWaalsContact OG1-CE1 3.3Å; T237-H253 PolarHBondContact OG1-NE2 3.19Å; N239-H253 CarbonylContact C-O 3.58Å; N239-H253 WeakPolarHBondContact CA-O 3.31Å; N239-H253 PolarHBondContact ND2-CE1 2.86Å; N239-H253 PolarHBondContact OD1-CE1 3.46Å; N239-H253 PolarHBondContact OD1-ND1 3.44Å; I240-H253 PolarHBondContact N-O 2.63Å
254	W	88.3	Confident	82	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.008	25%	0.25	C	S	.	.			trans	-91.7	143.2	168	-57.3	102.5	0	0	0	110.9	L114 S119 L120 A213 M217 I240 M241 T258	L114-W254 HydrophobicContact CB-CZ2 4.42Å; L114-W254 PolarHBondContact O-NE1 3.5Å; S119-W254 WeakPolarHBondContact OG-CB 3.33Å; S119-W254 PolarHBondContact OG-N 3.39Å; S119-W254 PolarHBondContact OG-O 2.78Å; L120-W254 HydrophobicContact CB-CG 4.27Å; L120-W254 HydrophobicContact CD1-CB 4.19Å; L120-W254 HydrophobicContact CD1-CD2 3.81Å; L120-W254 HydrophobicContact CD1-CG 3.61Å; A213-W254 HydrophobicContact CB-CH2 4.05Å; A213-W254 HydrophobicContact CB-CZ2 4.29Å; M217-W254 HydrophobicContact CB-CH2 4.07Å; M217-W254 HydrophobicContact CB-CZ3 3.87Å; M217-W254 HydrophobicContact CE-CD2 4.12Å; M217-W254 HydrophobicContact CE-CE3 3.84Å; M217-W254 HydrophobicContact CE-CH2 3.34Å; M217-W254 HydrophobicContact CE-CZ2 3.66Å; M217-W254 HydrophobicContact CE-CZ3 3.45Å; M217-W254 VanDerWaalsContact CE-CZ3 3.45Å; M217-W254 HydrophobicContact CG-CE3 4.28Å; M217-W254 HydrophobicContact CG-CH2 4.17Å; M217-W254 HydrophobicContact CG-CZ3 3.61Å; M217-W254 HydrophobicContact SD-CZ3 4.35Å; I240-W254 HydrophobicContact CB-CD2 4.39Å; I240-W254 HydrophobicContact CB-CE3 3.85Å; I240-W254 HydrophobicContact CB-CH2 4.1Å; I240-W254 HydrophobicContact CB-CZ3 3.69Å; I240-W254 HydrophobicContact CD1-CD2 3.87Å; I240-W254 HydrophobicContact CD1-CE3 4.18Å; I240-W254 HydrophobicContact CD1-CG 4.48Å; I240-W254 HydrophobicContact CD1-CH2 4Å; I240-W254 HydrophobicContact CD1-CZ2 3.63Å; I240-W254 HydrophobicContact CD1-CZ3 4.24Å; I240-W254 HydrophobicContact CG2-CE3 4.17Å; I240-W254 HydrophobicContact CG2-CH2 3.57Å; I240-W254 HydrophobicContact CG2-CZ2 4.32Å; I240-W254 HydrophobicContact CG2-CZ3 3.47Å; I240-W254 VanDerWaalsContact CG2-CZ3 3.47Å; M241-W254 HydrophobicContact CG-CE3 4.05Å; M241-W254 HydrophobicContact CG-CZ3 3.89Å; M241-W254 HydrophobicContact SD-CZ3 3.96Å; W254-T258 HydrophobicContact CB-CG2 4.15Å; W254-T258 HydrophobicContact CD2-CG2 4.18Å; W254-T258 HydrophobicContact CE3-CG2 3.67Å; W254-T258 HydrophobicContact CG-CG2 4.43Å; W254-T258 HydrophobicContact CZ3-CG2 4.4Å
255	S	89.7	Confident	82.5	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.028	22%	0.223	C	C	.	.			trans	-76.7	163.3	179	70.3	0	0	0	0	112.1	D225 N239 C257 T258 R259	D225-S255 WeakPolarHBondContact OD1-CB 3.24Å; D225-S255 PolarHBondContact OD1-OG 2.88Å; D225-S255 WeakPolarHBondContact OD2-CB 3.37Å; N239-S255 VanDerWaalsContact OD1-CA 3.29Å; N239-S255 WeakPolarHBondContact OD1-CA 2.95Å; N239-S255 WeakPolarHBondContact OD1-CB 3.02Å; N239-S255 PolarHBondContact OD1-N 3.45Å; N239-S255 VanDerWaalsContact OD1-N 3.13Å; S255-C257 PolarHBondContact O-N 3.08Å; S255-C257 PolarHBondContact OG-N 3.48Å; S255-T258 WeakPolarHBondContact O-CB 3.34Å; S255-T258 PolarHBondContact O-N 3.26Å; S255-T258 PolarHBondContact OG-N 2.87Å; S255-T258 PolarHBondContact OG-OG1 3.14Å; S255-R259 PolarHBondContact O-N 3.3Å; S255-R259 VanDerWaalsContact O-N 3.15Å
256	D	88.3	Confident	83.1	Confident	99 Å²	99	41.1 Å²	41.1	53%	0.529	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-33.3	171.2	-65.2	-21.7	0	0	0	111.5	R259 L260	D256-R259 PolarHBondContact O-N 2.94Å; D256-R259 IonicContact OD1-CZ 3.52Å; D256-R259 IonicContact OD1-NH1 2.58Å; D256-R259 PolarHBondContact OD1-NH1 3.13Å; D256-R259 IonicContact OD1-NH2 3.09Å; D256-R259 PolarHBondContact OD1-NH2 2.89Å; D256-R259 VanDerWaalsContact OD1-NH2 3.09Å; D256-L260 VanDerWaalsContact O-CG 3.28Å; D256-L260 WeakPolarHBondContact O-CG 3.49Å; D256-L260 PolarHBondContact O-N 3.07Å
257	C	92.4	Very high	83.9	Confident	13 Å²	13	44.7 Å²	44.7	9%	0.088	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-44.1	175.7	-59.7	0	0	0	0	111.5	N229 C231 S255 R259 L260 V261	N229-C257 HydrophobicContact CB-CB 4.45Å; C231-C257 HydrophobicContact CB-CB 3.96Å; C231-C257 WeakPolarHBondContact CB-SG 3.35Å; C231-C257 WeakPolarHBondContact SG-CB 3Å; C231-C257 PolarHBondContact SG-N 3.47Å; C231-C257 VanDerWaalsContact SG-N 3.35Å; C231-C257 CovalentContact SG-SG 2.04Å; C231-C257 PolarHBondContact SG-SG 3.09Å; S255-C257 PolarHBondContact O-N 3.08Å; S255-C257 PolarHBondContact OG-N 3.48Å; C257-R259 PolarHBondContact O-N 3.26Å; C257-L260 PolarHBondContact O-N 2.93Å; C257-V261 WeakPolarHBondContact O-CG2 3.46Å; C257-V261 PolarHBondContact O-N 3.43Å; C257-V261 VanDerWaalsContact O-N 3.11Å
258	T	93.3	Very high	84.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.4	-52.2	173.5	-58.6	0	0	0	0	110.5	L120 M217 V222 M241 W254 S255 L260 V261 L262	L120-T258 HydrophobicContact CD1-CG2 4.19Å; M217-T258 HydrophobicContact CE-CG2 4.08Å; M217-T258 HydrophobicContact CG-CG2 3.98Å; M217-T258 HydrophobicContact SD-CG2 3.8Å; V222-T258 HydrophobicContact CG1-CG2 4.19Å; V222-T258 HydrophobicContact CG2-CG2 4.17Å; M241-T258 WeakPolarHBondContact CG-OG1 3.43Å; W254-T258 HydrophobicContact CB-CG2 4.15Å; W254-T258 HydrophobicContact CD2-CG2 4.18Å; W254-T258 HydrophobicContact CE3-CG2 3.67Å; W254-T258 HydrophobicContact CG-CG2 4.43Å; W254-T258 HydrophobicContact CZ3-CG2 4.4Å; S255-T258 WeakPolarHBondContact O-CB 3.34Å; S255-T258 PolarHBondContact O-N 3.26Å; S255-T258 PolarHBondContact OG-N 2.87Å; S255-T258 PolarHBondContact OG-OG1 3.14Å; T258-L260 PolarHBondContact O-N 3.33Å; T258-V261 PolarHBondContact O-N 2.99Å; T258-L262 HydrophobicContact CG2-CD1 4.18Å; T258-L262 WeakPolarHBondContact O-CG 3.4Å; T258-L262 PolarHBondContact O-N 2.01Å; T258-L262 VanDerWaalsContact O-N 3.09Å
259	R	91.4	Very high	85.8	Confident	53 Å²	53	55.1 Å²	55.1	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-45.2	-179	-177.8	179	-36	105.6	11.1	112.4	S119 L120 S255 D256 C257 L262 Q263	S119-R259 PolarHBondContact O-NE 2.85Å; S119-R259 PolarHBondContact O-NH2 3.1Å; L120-R259 VanDerWaalsContact O-CG 3.29Å; L120-R259 WeakPolarHBondContact O-CG 3.45Å; S255-R259 PolarHBondContact O-N 3.3Å; S255-R259 VanDerWaalsContact O-N 3.15Å; D256-R259 PolarHBondContact O-N 2.94Å; D256-R259 IonicContact OD1-CZ 3.52Å; D256-R259 IonicContact OD1-NH1 2.58Å; D256-R259 PolarHBondContact OD1-NH1 3.13Å; D256-R259 IonicContact OD1-NH2 3.09Å; D256-R259 PolarHBondContact OD1-NH2 2.89Å; D256-R259 VanDerWaalsContact OD1-NH2 3.09Å; C257-R259 PolarHBondContact O-N 3.26Å; R259-L262 PolarHBondContact O-N 3.46Å; R259-Q263 HydrophobicContact CG-CG 4.38Å; R259-Q263 WeakPolarHBondContact O-CB 3.25Å; R259-Q263 WeakPolarHBondContact O-CG 3.44Å; R259-Q263 PolarHBondContact O-N 3.17Å
260	L	92.2	Very high	87	Confident	110 Å²	110	58.4 Å²	58.4	58%	0.576	29%	0.293	S	S	*	.	H	α-helix	trans	-62.9	-42.9	-179.5	-74.4	169.9	0	0	0	112.3	D256 C257 T258 N264	D256-L260 VanDerWaalsContact O-CG 3.28Å; D256-L260 WeakPolarHBondContact O-CG 3.49Å; D256-L260 PolarHBondContact O-N 3.07Å; C257-L260 PolarHBondContact O-N 2.93Å; T258-L260 PolarHBondContact O-N 3.33Å; L260-N264 WeakPolarHBondContact O-CB 3.01Å; L260-N264 PolarHBondContact O-N 2.95Å
261	V	93.9	Very high	88.3	Confident	54 Å²	54	54.2 Å²	54.2	33%	0.327	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-43.8	177.8	171.7	0	0	0	0	110.8	V222 C257 T258 G265	V222-V261 HydrophobicContact CG2-CB 4.05Å; V222-V261 HydrophobicContact CG2-CG1 3.81Å; C257-V261 WeakPolarHBondContact O-CG2 3.46Å; C257-V261 PolarHBondContact O-N 3.43Å; C257-V261 VanDerWaalsContact O-N 3.11Å; T258-V261 PolarHBondContact O-N 2.99Å; V261-G265 PolarHBondContact O-N 3.3Å
262	L	93	Very high	88.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-50.4	177.5	-68.9	178	0	0	0	111.9	L120 V122 M124 M217 L220 V222 T258 R259 N264 G265 L266 F271	L120-L262 HydrophobicContact CD1-CD1 3.36Å; L120-L262 HydrophobicContact CD2-CD1 4.46Å; L120-L262 HydrophobicContact CG-CD1 3.97Å; V122-L262 HydrophobicContact CG2-CB 4.38Å; V122-L262 HydrophobicContact CG2-CD1 4.03Å; M124-L262 HydrophobicContact CE-CD2 4.5Å; M217-L262 HydrophobicContact CE-CD1 3.98Å; M217-L262 HydrophobicContact SD-CD1 3.79Å; M217-L262 HydrophobicContact SD-CD2 3.82Å; M217-L262 HydrophobicContact SD-CG 4.07Å; L220-L262 HydrophobicContact CB-CD2 3.72Å; L220-L262 HydrophobicContact CD1-CD2 3.87Å; L220-L262 HydrophobicContact CD2-CD2 4.39Å; L220-L262 HydrophobicContact CG-CD2 4.21Å; V222-L262 HydrophobicContact CG2-CD2 4.42Å; V222-L262 HydrophobicContact CG2-CG 4.43Å; T258-L262 HydrophobicContact CG2-CD1 4.18Å; T258-L262 WeakPolarHBondContact O-CG 3.4Å; T258-L262 PolarHBondContact O-N 2.01Å; T258-L262 VanDerWaalsContact O-N 3.09Å; R259-L262 PolarHBondContact O-N 3.46Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.22Å; L262-G265 PolarHBondContact O-N 2.84Å; L262-G265 VanDerWaalsContact O-N 3.09Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 2.8Å; L262-F271 HydrophobicContact CD2-CE2 4.43Å
263	Q	90.2	Very high	89.3	Confident	69 Å²	69	53.7 Å²	53.7	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-55.4	-48	178.4	-74.5	176.2	-17.3	0	0	111.4	V122 R259 G265 L266 E267	V122-Q263 HydrophobicContact CG1-CG 3.9Å; R259-Q263 HydrophobicContact CG-CG 4.38Å; R259-Q263 WeakPolarHBondContact O-CB 3.25Å; R259-Q263 WeakPolarHBondContact O-CG 3.44Å; R259-Q263 PolarHBondContact O-N 3.17Å; Q263-G265 VanDerWaalsContact C-N 3.34Å; Q263-G265 PolarHBondContact O-N 2.74Å; Q263-L266 PolarHBondContact O-N 2.82Å; Q263-E267 WeakPolarHBondContact O-CG 3.4Å; Q263-E267 PolarHBondContact O-N 3.11Å
264	N	92.4	Very high	89.8	Confident	94 Å²	94	51.3 Å²	51.3	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-40.6	176.3	179	50.6	0	0	0	112.6	L260 L262 L266 E267 T268	L260-N264 WeakPolarHBondContact O-CB 3.01Å; L260-N264 PolarHBondContact O-N 2.95Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.22Å; N264-L266 VanDerWaalsContact C-N 3.34Å; N264-L266 PolarHBondContact O-N 2.9Å; N264-E267 PolarHBondContact O-N 2.89Å; N264-T268 WeakPolarHBondContact O-CB 3.33Å; N264-T268 VanDerWaalsContact O-CG2 3.31Å; N264-T268 WeakPolarHBondContact O-CG2 3.32Å; N264-T268 PolarHBondContact O-N 3.47Å; N264-T268 PolarHBondContact O-OG1 3.15Å
265	G	91.3	Very high	89.5	Confident	4 Å²	4	54 Å²	54	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-34.4	176.4	0	0	0	0	0	113.5	V261 L262 Q263 T268 Q269 K270 F271	V261-G265 PolarHBondContact O-N 3.3Å; L262-G265 PolarHBondContact O-N 2.84Å; L262-G265 VanDerWaalsContact O-N 3.09Å; Q263-G265 VanDerWaalsContact C-N 3.34Å; Q263-G265 PolarHBondContact O-N 2.74Å; G265-T268 PolarHBondContact O-OG1 3.5Å; G265-Q269 PolarHBondContact O-N 3.3Å; G265-K270 VanDerWaalsContact O-CB 3.28Å; G265-K270 WeakPolarHBondContact O-CB 3.26Å; G265-K270 PolarHBondContact O-N 2.91Å; G265-F271 VanDerWaalsContact CA-CE2 3.46Å
266	L	87.2	Confident	88.6	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-71.7	-45.8	174.9	-60.7	168	0	0	0	111.1	Y78 V122 L262 Q263 N264 T268 Q269 F271	Y78-L266 HydrophobicContact CD1-CD2 3.59Å; Y78-L266 HydrophobicContact CD2-CD1 4.16Å; Y78-L266 HydrophobicContact CD2-CD2 3.92Å; Y78-L266 HydrophobicContact CE1-CD2 3.38Å; Y78-L266 HydrophobicContact CE1-CG 4.47Å; Y78-L266 HydrophobicContact CE2-CD1 3.74Å; Y78-L266 HydrophobicContact CE2-CD2 3.76Å; Y78-L266 HydrophobicContact CE2-CG 4.28Å; Y78-L266 HydrophobicContact CG-CD2 3.84Å; Y78-L266 VanDerWaalsContact CZ-CD2 3.48Å; V122-L266 HydrophobicContact CB-CD1 4.07Å; V122-L266 HydrophobicContact CG1-CD1 3.62Å; V122-L266 HydrophobicContact CG2-CD1 4.49Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 2.8Å; Q263-L266 PolarHBondContact O-N 2.82Å; N264-L266 VanDerWaalsContact C-N 3.34Å; N264-L266 PolarHBondContact O-N 2.9Å; L266-T268 VanDerWaalsContact C-N 3.3Å; L266-T268 PolarHBondContact O-N 3.4Å; L266-Q269 PolarHBondContact O-N 3.38Å; L266-Q269 VanDerWaalsContact O-N 3.1Å; L266-F271 HydrophobicContact CD2-CB 4.16Å; L266-F271 HydrophobicContact CD2-CD2 3.58Å; L266-F271 HydrophobicContact CD2-CE2 4.48Å; L266-F271 HydrophobicContact CD2-CG 4.36Å; L266-F271 HydrophobicContact CG-CD2 3.97Å; L266-F271 HydrophobicContact CG-CE2 4.48Å
267	E	88.3	Confident	87.6	Confident	154 Å²	154	50.1 Å²	50.1	72%	0.72	26%	0.255	S	S	*	.	H	α-helix	trans	-60.3	-38.7	177.6	-73.8	176.5	-178.3	0	0	112.4	Q263 N264 Q269	Q263-E267 WeakPolarHBondContact O-CG 3.4Å; Q263-E267 PolarHBondContact O-N 3.11Å; N264-E267 PolarHBondContact O-N 2.89Å; E267-Q269 PolarHBondContact O-N 3.05Å
268	T	88.7	Confident	86.5	Confident	85 Å²	85	49.7 Å²	49.7	52%	0.521	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	7.1	178.2	56.6	0	0	0	0	114.1	N264 G265 L266 K270	N264-T268 WeakPolarHBondContact O-CB 3.33Å; N264-T268 VanDerWaalsContact O-CG2 3.31Å; N264-T268 WeakPolarHBondContact O-CG2 3.32Å; N264-T268 PolarHBondContact O-N 3.47Å; N264-T268 PolarHBondContact O-OG1 3.15Å; G265-T268 PolarHBondContact O-OG1 3.5Å; L266-T268 VanDerWaalsContact C-N 3.3Å; L266-T268 PolarHBondContact O-N 3.4Å; T268-K270 PolarHBondContact O-N 3.09Å
269	Q	84.3	Confident	85	Confident	141 Å²	141	51.3 Å²	51.3	66%	0.659	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	30.3	-177.8	-58.4	-175.8	-3.4	0	0	113.8	G265 L266 E267 F271 T272	G265-Q269 PolarHBondContact O-N 3.3Å; L266-Q269 PolarHBondContact O-N 3.38Å; L266-Q269 VanDerWaalsContact O-N 3.1Å; E267-Q269 PolarHBondContact O-N 3.05Å; Q269-F271 VanDerWaalsContact C-N 3.31Å; Q269-F271 PolarHBondContact O-N 3.08Å; Q269-T272 HydrophobicContact CB-CG2 3.95Å; Q269-T272 WeakPolarHBondContact O-CG2 3.33Å
270	K	87.6	Confident	83.5	Confident	90 Å²	90	50.6 Å²	50.6	39%	0.391	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-31.3	177.9	-170.6	176.5	177.3	-179.3	0	112.1	S189 G265 T268	S189-K270 PolarHBondContact OG-NZ 3.31Å; G265-K270 VanDerWaalsContact O-CB 3.28Å; G265-K270 WeakPolarHBondContact O-CB 3.26Å; G265-K270 PolarHBondContact O-N 2.91Å; T268-K270 PolarHBondContact O-N 3.09Å
271	F	89.5	Confident	82	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.009	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	39.4	-175.3	-50.9	-49.7	0	0	0	113.3	M191 L220 L262 G265 L266 Q269 C273 L274	M191-F271 HydrophobicContact CB-CD1 4.39Å; M191-F271 HydrophobicContact CB-CE1 4.43Å; M191-F271 HydrophobicContact CG-CD1 4.44Å; L220-F271 HydrophobicContact CB-CZ 4.36Å; L220-F271 HydrophobicContact CD2-CD1 4.03Å; L220-F271 HydrophobicContact CD2-CE1 3.86Å; L220-F271 HydrophobicContact CD2-CE2 4.49Å; L220-F271 HydrophobicContact CD2-CG 4.45Å; L220-F271 HydrophobicContact CD2-CZ 4.11Å; L220-F271 WeakPolarHBondContact O-CZ 3.34Å; L262-F271 HydrophobicContact CD2-CE2 4.43Å; G265-F271 VanDerWaalsContact CA-CE2 3.46Å; L266-F271 HydrophobicContact CD2-CB 4.16Å; L266-F271 HydrophobicContact CD2-CD2 3.58Å; L266-F271 HydrophobicContact CD2-CE2 4.48Å; L266-F271 HydrophobicContact CD2-CG 4.36Å; L266-F271 HydrophobicContact CG-CD2 3.97Å; L266-F271 HydrophobicContact CG-CE2 4.48Å; Q269-F271 VanDerWaalsContact C-N 3.31Å; Q269-F271 PolarHBondContact O-N 3.08Å; F271-C273 PolarHBondContact O-N 3.44Å; F271-C273 VanDerWaalsContact O-N 3.16Å; F271-L274 HydrophobicContact CB-CB 4.47Å; F271-L274 HydrophobicContact CB-CD1 3.83Å; F271-L274 HydrophobicContact CB-CG 4.06Å; F271-L274 HydrophobicContact CG-CD1 4.24Å; F271-L274 PolarHBondContact O-N 2.98Å
272	T	85	Confident	80.1	Confident	71 Å²	71	49.2 Å²	49.2	44%	0.436	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-62.3	-21.5	-177.7	44.2	0	0	0	0	114.2	Q269 L274	Q269-T272 HydrophobicContact CB-CG2 3.95Å; Q269-T272 WeakPolarHBondContact O-CG2 3.33Å; T272-L274 VanDerWaalsContact C-N 3.32Å
273	C	88	Confident	78.5	Confident	14 Å²	14	53.7 Å²	53.7	10%	0.095	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-70.8	-26.9	173.5	74.2	0	0	0	0	112.9	D170 C192 F271 Q275	D170-C273 VanDerWaalsContact OD1-CB 3.31Å; D170-C273 WeakPolarHBondContact OD1-CB 3.46Å; D170-C273 PolarHBondContact OD1-SG 3.08Å; C192-C273 WeakPolarHBondContact CA-SG 3.41Å; C192-C273 HydrophobicContact CB-CB 3.64Å; C192-C273 WeakPolarHBondContact CB-SG 3.31Å; C192-C273 WeakPolarHBondContact SG-CB 3.03Å; C192-C273 PolarHBondContact SG-N 2.95Å; C192-C273 VanDerWaalsContact SG-N 3.39Å; C192-C273 CovalentContact SG-SG 2.02Å; C192-C273 PolarHBondContact SG-SG 2.86Å; F271-C273 PolarHBondContact O-N 3.44Å; F271-C273 VanDerWaalsContact O-N 3.16Å; C273-Q275 VanDerWaalsContact C-N 3.28Å; C273-Q275 PolarHBondContact O-N 3.21Å
274	L	90.4	Very high	77.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-85.8	1.7	-175.6	-48.6	-176.2	0	0	0	113.5	Y78 W79 I80 M124 D170 M191 L220 F271 T272	Y78-L274 CarbonylContact C-O 3.59Å; Y78-L274 VanDerWaalsContact CA-O 3.24Å; Y78-L274 WeakPolarHBondContact CA-O 3.1Å; Y78-L274 HydrophobicContact CD1-CB 4.42Å; W79-L274 PolarHBondContact N-O 2.75Å; W79-L274 VanDerWaalsContact O-CA 3.25Å; W79-L274 WeakPolarHBondContact O-CA 3.38Å; W79-L274 WeakPolarHBondContact O-CB 3.4Å; W79-L274 VanDerWaalsContact O-CD2 3.3Å; W79-L274 WeakPolarHBondContact O-CD2 3.29Å; I80-L274 HydrophobicContact CB-CD2 4.46Å; I80-L274 HydrophobicContact CG1-CD1 4.23Å; I80-L274 HydrophobicContact CG1-CD2 4.18Å; M124-L274 HydrophobicContact CE-CD1 4.31Å; D170-L274 HydrophobicContact CB-CD2 3.86Å; M191-L274 HydrophobicContact CG-CD1 4.08Å; M191-L274 HydrophobicContact CG-CD2 4.05Å; M191-L274 HydrophobicContact CG-CG 4.36Å; M191-L274 HydrophobicContact SD-CD2 3.99Å; L220-L274 HydrophobicContact CD2-CD1 3.81Å; F271-L274 HydrophobicContact CB-CB 4.47Å; F271-L274 HydrophobicContact CB-CD1 3.83Å; F271-L274 HydrophobicContact CB-CG 4.06Å; F271-L274 HydrophobicContact CG-CD1 4.24Å; F271-L274 PolarHBondContact O-N 2.98Å; T272-L274 VanDerWaalsContact C-N 3.32Å
275	Q	82.9	Confident	75.4	Confident	59 Å²	59	49.4 Å²	49.4	28%	0.276	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-89.5	-15.4	-169.3	-74.1	179.7	-5.3	0	0	113.8	Q76 Y78 W79 C273	Q76-Q275 PolarHBondContact NE2-O 3.12Å; Y78-Q275 HydrophobicContact CD1-CG 3.94Å; Y78-Q275 HydrophobicContact CE1-CG 3.7Å; W79-Q275 WeakPolarHBondContact CZ3-O 3.22Å; C273-Q275 VanDerWaalsContact C-N 3.28Å; C273-Q275 PolarHBondContact O-N 3.21Å
276	D	70.8	Confident	73.6	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	25%	0.249	C	C	.	.	S	Bend	trans	-91.3	151.1	178.3	56.3	-77.4	0	0	0	112.8	W79 R483	W79-D276 VanDerWaalsContact CE3-C 3.45Å; D276-R483 VanDerWaalsContact CB-NH1 3.25Å; D276-R483 IonicContact OD1-CZ 2.72Å; D276-R483 IonicContact OD1-NE 2.8Å; D276-R483 IonicContact OD1-NH1 3.55Å; D276-R483 PolarHBondContact OD1-NH1 2.75Å; D276-R483 IonicContact OD1-NH2 3.5Å; D276-R483 PolarHBondContact OD1-NH2 3.48Å; D276-R483 IonicContact OD2-CZ 3.83Å; D276-R483 IonicContact OD2-NE 3.32Å; D276-R483 PolarHBondContact OD2-NE 2.81Å; D276-R483 VanDerWaalsContact OD2-NE 3.13Å; D276-R483 IonicContact OD2-NH1 3.31Å; D276-R483 PolarHBondContact OD2-NH1 3.09Å; D276-R483 IonicContact OD2-NH2 3.46Å; D276-R483 PolarHBondContact OD2-NH2 2.81Å
277	F	66.4	Low	72	Confident	13 Å²	13	50.4 Å²	50.4	6%	0.057	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-67.1	129.1	175.7	-164.8	-87.7	0	0	0	110.3	W79 F280 Y392	W79-F277 AromaticContact CE2-CD2 3.91Å; W79-F277 AromaticContact CH2-CD2 3.99Å; W79-F277 HydrophobicContact CH2-CD2 3.99Å; W79-F277 AromaticContact CZ2-CD2 3.47Å; W79-F277 HydrophobicContact CZ2-CD2 3.47Å; W79-F277 VanDerWaalsContact CZ2-CD2 3.47Å; W79-F277 AromaticContact CZ2-CE2 3.94Å; W79-F277 HydrophobicContact CZ2-CE2 3.94Å; W79-F277 HydrophobicContact CZ2-CG 4.45Å; F277-F280 HydrophobicContact CE1-CE1 4.17Å; F277-F280 HydrophobicContact CZ-CE1 4.47Å; F277-Y392 AromaticContact CE1-CE1 3.99Å; F277-Y392 HydrophobicContact CE1-CE1 3.99Å; F277-Y392 HydrophobicContact CE2-CE1 4.39Å; F277-Y392 AromaticContact CZ-CE1 3.8Å; F277-Y392 HydrophobicContact CZ-CE1 3.8Å; F277-Y392 AromaticContact CZ-CZ 3.97Å; F277-Y392 VanDerWaalsContact CZ-OH 3.22Å; F277-Y392 WeakPolarHBondContact CZ-OH 3.46Å
278	P	69.4	Low	71	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.026	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-76.9	147.6	-169.7	29.8	-35.3	0	0	0	111.4	W79 E81 V127 F280	W79-P278 HydrophobicContact CB-CB 4.27Å; W79-P278 HydrophobicContact CB-CG 3.93Å; W79-P278 VanDerWaalsContact CD1-CG 3.48Å; W79-P278 HydrophobicContact CD2-CG 4.43Å; W79-P278 HydrophobicContact CG-CG 3.7Å; E81-P278 HydrophobicContact CG-CB 3.66Å; E81-P278 WeakPolarHBondContact OE1-CA 3.37Å; E81-P278 WeakPolarHBondContact OE1-CB 2.99Å; V127-P278 HydrophobicContact CB-CB 4.2Å; V127-P278 HydrophobicContact CB-CG 4.22Å; V127-P278 HydrophobicContact CG1-CB 3.98Å; V127-P278 HydrophobicContact CG1-CG 4.08Å; V127-P278 HydrophobicContact CG2-CB 4.33Å; V127-P278 HydrophobicContact CG2-CG 3.82Å; P278-F280 HydrophobicContact CB-CD1 4.08Å; P278-F280 HydrophobicContact CG-CD1 3.86Å; P278-F280 HydrophobicContact CG-CE1 4.03Å; P278-F280 WeakPolarHBondContact O-CD1 3.39Å
279	I	61.5	Low	70.5	Confident	34 Å²	34	42.9 Å²	42.9	17%	0.174	21%	0.209	C	C	.	.			trans	-105.3	83	176.9	-53.5	175	0	0	0	108.6	E81 Q129 S481 V482	E81-I279 PolarHBondContact OE1-N 3.18Å; Q129-I279 PolarHBondContact OE1-O 2.86Å; I279-S481 VanDerWaalsContact CD1-C 3.45Å; I279-S481 WeakPolarHBondContact CD1-O 3.45Å; I279-V482 VanDerWaalsContact CD1-O 3.31Å; I279-V482 WeakPolarHBondContact CD1-O 3.5Å
280	F	60.7	Low	70.6	Confident	38 Å²	38	36.6 Å²	36.6	17%	0.167	18%	0.181	C	C	.	.			trans	-102.1	154.2	-177.4	54.3	-84.8	0	0	0	112.2	V127 F277 P278 Q282 M285	V127-F280 HydrophobicContact CG1-CB 3.51Å; V127-F280 HydrophobicContact CG1-CD1 3.52Å; V127-F280 HydrophobicContact CG1-CE1 4.46Å; V127-F280 HydrophobicContact CG1-CG 3.63Å; F277-F280 HydrophobicContact CE1-CE1 4.17Å; F277-F280 HydrophobicContact CZ-CE1 4.47Å; P278-F280 HydrophobicContact CB-CD1 4.08Å; P278-F280 HydrophobicContact CG-CD1 3.86Å; P278-F280 HydrophobicContact CG-CE1 4.03Å; P278-F280 WeakPolarHBondContact O-CD1 3.39Å; F280-Q282 PolarHBondContact O-N 2.97Å; F280-M285 HydrophobicContact CD2-CE 4.17Å; F280-M285 HydrophobicContact CE1-CE 4.05Å; F280-M285 HydrophobicContact CE2-CB 4.38Å; F280-M285 HydrophobicContact CE2-CE 3.2Å; F280-M285 HydrophobicContact CE2-CG 4.42Å; F280-M285 HydrophobicContact CE2-SD 3.66Å; F280-M285 HydrophobicContact CZ-CE 3.13Å; F280-M285 HydrophobicContact CZ-SD 4.05Å
281	K	60.4	Low	70.5	Confident	83 Å²	83	32.6 Å²	32.6	36%	0.361	17%	0.166	S	C	.	.			trans	-72.2	132	167.9	-56.3	-175.6	-158.8	155.5	0	109.1	D130 E283 Y284	D130-K281 IonicContact OD1-NZ 3.13Å; D130-K281 PolarHBondContact OD1-NZ 2.77Å; D130-K281 VanDerWaalsContact OD1-NZ 3.09Å; D130-K281 WeakPolarHBondContact OD2-CE 3.4Å; D130-K281 IonicContact OD2-NZ 2.87Å; D130-K281 PolarHBondContact OD2-NZ 2.74Å; K281-E283 HydrophobicContact CB-CG 3.91Å; K281-E283 HydrophobicContact CD-CG 4.43Å; K281-E283 WeakPolarHBondContact CD-OE1 3.47Å; K281-E283 IonicContact NZ-OE1 2.84Å; K281-E283 PolarHBondContact O-N 3.21Å; K281-Y284 HydrophobicContact CB-CD2 3.81Å; K281-Y284 HydrophobicContact CB-CE2 3.75Å; K281-Y284 HydrophobicContact CD-CE2 3.76Å; K281-Y284 HydrophobicContact CG-CE2 4.05Å; K281-Y284 PolarHBondContact NZ-OH 2.56Å; K281-Y284 PolarHBondContact O-N 2.77Å; K281-Y284 VanDerWaalsContact O-N 3.15Å
282	Q	54.1	Low	70.3	Confident	53 Å²	53	38.5 Å²	38.5	25%	0.248	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-61.1	-20.8	-178.2	-165.8	159.8	8.4	0	0	113.7	K59 F280 Y284 M285	K59-Q282 VanDerWaalsContact CG-CD 3.45Å; K59-Q282 HydrophobicContact CG-CG 4.48Å; K59-Q282 VanDerWaalsContact CG-OE1 3.27Å; K59-Q282 PolarHBondContact O-NE2 3.45Å; F280-Q282 PolarHBondContact O-N 2.97Å; Q282-Y284 PolarHBondContact O-N 2.72Å; Q282-M285 WeakPolarHBondContact O-CB 3.08Å; Q282-M285 PolarHBondContact O-N 2.91Å; Q282-M285 VanDerWaalsContact O-N 3.15Å
283	E	60.2	Low	70.3	Confident	93 Å²	93	38.4 Å²	38.4	44%	0.435	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-67	-17.8	177.6	70.7	-171.6	167.3	0	0	114.8	K105 K281	K105-E283 VanDerWaalsContact CE-O 3.26Å; K105-E283 WeakPolarHBondContact CE-O 3.27Å; K105-E283 PolarHBondContact NZ-O 3.11Å; K281-E283 HydrophobicContact CB-CG 3.91Å; K281-E283 HydrophobicContact CD-CG 4.43Å; K281-E283 WeakPolarHBondContact CD-OE1 3.47Å; K281-E283 IonicContact NZ-OE1 2.84Å; K281-E283 PolarHBondContact O-N 3.21Å
284	Y	63.8	Low	70.4	Confident	25 Å²	25	38.1 Å²	38.1	10%	0.098	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-89.4	-6.1	174.5	-57.7	-58.5	0	0	0	113	K105 V128 Q129 D130 I131 K281 Q282 S286	K105-Y284 HydrophobicContact CD-CD1 4.27Å; K105-Y284 HydrophobicContact CG-CD1 4.04Å; V128-Y284 HydrophobicContact CB-CG 4.26Å; V128-Y284 HydrophobicContact CG1-CD1 4.1Å; V128-Y284 HydrophobicContact CG1-CD2 4.22Å; V128-Y284 HydrophobicContact CG1-CG 3.91Å; Q129-Y284 WeakPolarHBondContact O-CE2 3.45Å; D130-Y284 PolarHBondContact OD1-OH 2.9Å; I131-Y284 HydrophobicContact CB-CE1 4.38Å; I131-Y284 HydrophobicContact CD1-CD1 3.92Å; I131-Y284 HydrophobicContact CD1-CE1 3.73Å; I131-Y284 HydrophobicContact CG1-CD1 4.22Å; I131-Y284 HydrophobicContact CG1-CE1 3.82Å; K281-Y284 HydrophobicContact CB-CD2 3.81Å; K281-Y284 HydrophobicContact CB-CE2 3.75Å; K281-Y284 HydrophobicContact CD-CE2 3.76Å; K281-Y284 HydrophobicContact CG-CE2 4.05Å; K281-Y284 PolarHBondContact NZ-OH 2.56Å; K281-Y284 PolarHBondContact O-N 2.77Å; K281-Y284 VanDerWaalsContact O-N 3.15Å; Q282-Y284 PolarHBondContact O-N 2.72Å; Y284-S286 PolarHBondContact O-N 2.9Å
285	M	52.5	Low	70.4	Confident	49 Å²	49	40.9 Å²	40.9	24%	0.241	20%	0.199	C	C	.	.			trans	-96.7	80.2	-178.2	-154.8	-176.1	-116.3	0	0	109.5	I62 V66 F280 Q282 F287	I62-M285 WeakPolarHBondContact CD1-O 3.47Å; I62-M285 HydrophobicContact CG2-CB 4.37Å; I62-M285 HydrophobicContact CG2-CG 4.42Å; I62-M285 WeakPolarHBondContact CG2-O 3.23Å; I62-M285 HydrophobicContact CG2-SD 4.35Å; V66-M285 HydrophobicContact CG2-CE 4.1Å; F280-M285 HydrophobicContact CD2-CE 4.17Å; F280-M285 HydrophobicContact CE1-CE 4.05Å; F280-M285 HydrophobicContact CE2-CB 4.38Å; F280-M285 HydrophobicContact CE2-CE 3.2Å; F280-M285 HydrophobicContact CE2-CG 4.42Å; F280-M285 HydrophobicContact CE2-SD 3.66Å; F280-M285 HydrophobicContact CZ-CE 3.13Å; F280-M285 HydrophobicContact CZ-SD 4.05Å; Q282-M285 WeakPolarHBondContact O-CB 3.08Å; Q282-M285 PolarHBondContact O-N 2.91Å; Q282-M285 VanDerWaalsContact O-N 3.15Å; M285-F287 HydrophobicContact CB-CE2 4.25Å; M285-F287 HydrophobicContact CG-CD2 4.22Å; M285-F287 HydrophobicContact CG-CE2 3.35Å; M285-F287 HydrophobicContact CG-CZ 3.75Å; M285-F287 HydrophobicContact SD-CE2 3.49Å; M285-F287 WeakPolarHBondContact SD-CE2 3.42Å; M285-F287 HydrophobicContact SD-CZ 3.6Å
286	S	54.2	Low	70.7	Confident	27 Å²	27	40.3 Å²	40.3	19%	0.189	20%	0.197	C	C	.	.			trans	-88.9	132.7	169.9	177.6	0	0	0	0	109.8	R109 Y284 Q293	R109-S286 VanDerWaalsContact NH1-C 3.32Å; R109-S286 PolarHBondContact NH1-O 3.34Å; Y284-S286 PolarHBondContact O-N 2.9Å; S286-Q293 PolarHBondContact OG-NE2 3.31Å
287	F	53.9	Low	71.6	Confident	16 Å²	16	43.6 Å²	43.6	7%	0.07	22%	0.215	C	C	.	.			trans	-103.9	-3.7	178.5	-75.9	-83.4	0	0	0	114.2	I62 K65 V66 R109 M285	I62-F287 VanDerWaalsContact C-CZ 3.47Å; I62-F287 HydrophobicContact CB-CD2 3.22Å; I62-F287 HydrophobicContact CB-CE2 3.52Å; I62-F287 HydrophobicContact CB-CG 4.22Å; I62-F287 HydrophobicContact CD1-CD2 4.39Å; I62-F287 HydrophobicContact CG1-CB 4.32Å; I62-F287 HydrophobicContact CG1-CD2 3.49Å; I62-F287 VanDerWaalsContact CG1-CD2 3.49Å; I62-F287 HydrophobicContact CG1-CE2 4.27Å; I62-F287 HydrophobicContact CG1-CG 4.3Å; I62-F287 HydrophobicContact CG2-CD2 3.19Å; I62-F287 HydrophobicContact CG2-CE2 3.01Å; I62-F287 HydrophobicContact CG2-CG 4.49Å; I62-F287 HydrophobicContact CG2-CZ 4.24Å; I62-F287 WeakPolarHBondContact O-CD1 3.43Å; I62-F287 WeakPolarHBondContact O-CD2 3.36Å; I62-F287 WeakPolarHBondContact O-CE1 3.48Å; I62-F287 WeakPolarHBondContact O-CE2 3.46Å; I62-F287 VanDerWaalsContact O-CG 3.25Å; I62-F287 WeakPolarHBondContact O-CG 3.06Å; I62-F287 WeakPolarHBondContact O-CZ 3.32Å; K65-F287 HydrophobicContact CB-CB 4.18Å; K65-F287 HydrophobicContact CB-CD1 3.21Å; K65-F287 HydrophobicContact CB-CE1 3.79Å; K65-F287 HydrophobicContact CB-CG 3.98Å; K65-F287 HydrophobicContact CD-CB 3.81Å; K65-F287 HydrophobicContact CD-CD1 4.32Å; K65-F287 WeakPolarHBondContact CD-O 3.28Å; K65-F287 HydrophobicContact CG-CD1 4.4Å; K65-F287 PolarHBondContact NZ-O 2.73Å; V66-F287 HydrophobicContact CB-CE1 3.53Å; V66-F287 HydrophobicContact CB-CZ 3.53Å; V66-F287 HydrophobicContact CG2-CE1 3.36Å; V66-F287 HydrophobicContact CG2-CZ 3.31Å; R109-F287 PolarHBondContact NH1-O 3.25Å; R109-F287 PolarHBondContact NH2-O 3.02Å; M285-F287 HydrophobicContact CB-CE2 4.25Å; M285-F287 HydrophobicContact CG-CD2 4.22Å; M285-F287 HydrophobicContact CG-CE2 3.35Å; M285-F287 HydrophobicContact CG-CZ 3.75Å; M285-F287 HydrophobicContact SD-CE2 3.49Å; M285-F287 WeakPolarHBondContact SD-CE2 3.42Å; M285-F287 HydrophobicContact SD-CZ 3.6Å
288	D	67.7	Low	72.9	Confident	53 Å²	53	46.6 Å²	46.6	28%	0.283	23%	0.229	S	C	.	.	S	Bend	trans	-75.8	132	179.4	-64.2	-27.5	0	0	0	110.2	R109 W292 Q293	R109-D288 VanDerWaalsContact CZ-O 3.27Å; R109-D288 VanDerWaalsContact NH1-C 3.31Å; R109-D288 VanDerWaalsContact NH1-N 3.12Å; R109-D288 PolarHBondContact NH1-O 3.04Å; D288-W292 HydrophobicContact CB-CE3 3.89Å; D288-W292 HydrophobicContact CB-CZ3 4.5Å; D288-Q293 HydrophobicContact CB-CG 4.37Å
289	L	77	Confident	73.9	Confident	28 Å²	28	46.6 Å²	46.6	15%	0.147	23%	0.229	C	C	.	.			trans	-60.4	135.3	179.1	-65.3	174	0	0	0	108.6	G291 W292 D344 F355	L289-G291 PolarHBondContact O-N 3.02Å; L289-G291 VanDerWaalsContact O-N 3.07Å; L289-W292 HydrophobicContact CB-CD2 4.12Å; L289-W292 HydrophobicContact CB-CG 4.32Å; L289-W292 HydrophobicContact CD1-CZ2 3.91Å; L289-W292 HydrophobicContact CG-CZ2 4.29Å; L289-W292 VanDerWaalsContact O-CB 3.32Å; L289-W292 WeakPolarHBondContact O-CB 3.44Å; L289-W292 PolarHBondContact O-N 2.95Å; L289-D344 CarbonylContact C-O 3.52Å; L289-D344 VanDerWaalsContact CB-O 3.28Å; L289-D344 WeakPolarHBondContact CB-O 3.27Å; L289-D344 HydrophobicContact CD2-CB 4.2Å; L289-F355 HydrophobicContact CD1-CD2 4.48Å; L289-F355 HydrophobicContact CD2-CE2 4.28Å
290	P	86	Confident	75.3	Confident	9 Å²	9	45 Å²	45	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-50.7	-37	-173.8	-33.3	38.9	0	0	0	114.5	T106 M110 W292 Q293 W294 L343	T106-P290 HydrophobicContact CG2-CB 3.59Å; T106-P290 HydrophobicContact CG2-CG 3.91Å; M110-P290 HydrophobicContact CG-CG 4.42Å; P290-W292 PolarHBondContact O-N 2.75Å; P290-Q293 PolarHBondContact O-N 2.8Å; P290-W294 PolarHBondContact O-N 3.07Å; P290-L343 HydrophobicContact CB-CB 4.02Å; P290-L343 HydrophobicContact CB-CD1 3.8Å; P290-L343 HydrophobicContact CB-CD2 4.14Å; P290-L343 HydrophobicContact CB-CG 4.21Å
291	G	86	Confident	76.8	Confident	7 Å²	7	44.4 Å²	44.4	7%	0.072	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-14.4	177.2	0	0	0	0	0	115.3	L289 Q293 D344 T346	L289-G291 PolarHBondContact O-N 3.02Å; L289-G291 VanDerWaalsContact O-N 3.07Å; G291-Q293 VanDerWaalsContact C-N 3.35Å; G291-D344 VanDerWaalsContact CA-O 3.28Å; G291-D344 WeakPolarHBondContact CA-O 3.48Å; G291-D344 PolarHBondContact N-O 3.44Å; G291-T346 WeakPolarHBondContact CA-OG1 3.34Å
292	W	85.7	Confident	78.2	Confident	125 Å²	125	40.5 Å²	40.5	47%	0.473	20%	0.201	S	C	.	.	H	α-helix	trans	-77.5	-23.3	170.2	-61.4	-11.3	0	0	0	112.6	D288 L289 P290 E353	D288-W292 HydrophobicContact CB-CE3 3.89Å; D288-W292 HydrophobicContact CB-CZ3 4.5Å; L289-W292 HydrophobicContact CB-CD2 4.12Å; L289-W292 HydrophobicContact CB-CG 4.32Å; L289-W292 HydrophobicContact CD1-CZ2 3.91Å; L289-W292 HydrophobicContact CG-CZ2 4.29Å; L289-W292 VanDerWaalsContact O-CB 3.32Å; L289-W292 WeakPolarHBondContact O-CB 3.44Å; L289-W292 PolarHBondContact O-N 2.95Å; P290-W292 PolarHBondContact O-N 2.75Å; W292-E353 PolarHBondContact NE1-OE2 2.03Å
293	Q	85.1	Confident	79.7	Confident	69 Å²	69	39.5 Å²	39.5	32%	0.322	20%	0.197	S	C	.	.	H	α-helix	trans	-101.2	-31.4	-176.9	-60.7	-174.2	-30.4	0	0	111.9	S286 D288 P290 G291	S286-Q293 PolarHBondContact OG-NE2 3.31Å; D288-Q293 HydrophobicContact CB-CG 4.37Å; P290-Q293 PolarHBondContact O-N 2.8Å; G291-Q293 VanDerWaalsContact C-N 3.35Å
294	W	90.2	Very high	80.7	Confident	9 Å²	9	36.8 Å²	36.8	3%	0.034	19%	0.188	C	C	.	.	S	Bend	trans	-112.7	101.4	-174.6	-61.1	93.8	0	0	0	110.5	F94 I99 D102 Y103 T106 F206 P290 Q298 Q299 V302 L343	F94-W294 HydrophobicContact CE1-CH2 4.18Å; F94-W294 HydrophobicContact CE1-CZ3 4.18Å; I99-W294 HydrophobicContact CG2-CH2 4.07Å; I99-W294 HydrophobicContact CG2-CZ3 4.46Å; D102-W294 HydrophobicContact CB-CZ2 4.17Å; Y103-W294 VanDerWaalsContact CA-CZ2 3.48Å; T106-W294 PolarHBondContact OG1-NE1 3.29Å; F206-W294 HydrophobicContact CE2-CD2 4.19Å; F206-W294 HydrophobicContact CE2-CE3 4.33Å; F206-W294 HydrophobicContact CE2-CG 4.23Å; F206-W294 AromaticContact CZ-CD1 3.98Å; F206-W294 AromaticContact CZ-CD2 3.57Å; F206-W294 HydrophobicContact CZ-CD2 3.57Å; F206-W294 AromaticContact CZ-CE2 3.72Å; F206-W294 AromaticContact CZ-CE3 3.92Å; F206-W294 HydrophobicContact CZ-CE3 3.92Å; F206-W294 AromaticContact CZ-CG 3.82Å; F206-W294 HydrophobicContact CZ-CG 3.82Å; F206-W294 HydrophobicContact CZ-CZ2 4.27Å; F206-W294 HydrophobicContact CZ-CZ3 4.42Å; F206-W294 AromaticContact CZ-NE1 3.93Å; P290-W294 PolarHBondContact O-N 3.07Å; W294-Q298 HydrophobicContact CE3-CB 4Å; W294-Q299 HydrophobicContact CB-CG 4.05Å; W294-Q299 PolarHBondContact O-NE2 2.9Å; W294-V302 HydrophobicContact CE3-CG2 3.89Å; W294-V302 HydrophobicContact CH2-CG2 4.47Å; W294-V302 HydrophobicContact CZ3-CG2 3.64Å; W294-L343 HydrophobicContact CB-CD1 3.8Å; W294-L343 HydrophobicContact CG-CD1 4.16Å
295	S	90.1	Very high	81.4	Confident	58 Å²	58	37.3 Å²	37.3	41%	0.406	20%	0.201	S	C	.	.			trans	-57.8	161	171.4	65.3	0	0	0	0	111.8	D297 Q298 Q299	S295-D297 VanDerWaalsContact C-N 3.29Å; S295-D297 PolarHBondContact O-N 3.01Å; S295-Q298 CarbonylContact O-C 3.51Å; S295-Q298 WeakPolarHBondContact O-CA 3.29Å; S295-Q298 WeakPolarHBondContact O-CB 3.44Å; S295-Q298 PolarHBondContact O-N 2.79Å; S295-Q298 VanDerWaalsContact OG-CD 3.3Å; S295-Q298 VanDerWaalsContact OG-CG 3.24Å; S295-Q298 WeakPolarHBondContact OG-CG 3.34Å; S295-Q298 PolarHBondContact OG-N 2.74Å; S295-Q298 PolarHBondContact OG-OE1 2.65Å; S295-Q299 WeakPolarHBondContact O-CG 3.47Å; S295-Q299 PolarHBondContact O-N 3.04Å
296	L	89.7	Confident	82.8	Confident	46 Å²	46	36.7 Å²	36.7	24%	0.241	20%	0.202	C	C	.	.	H	α-helix	trans	-55.8	-42.1	180	-69.2	169.6	0	0	0	112.9	Q298 Q299 C300 H311 L323 L342 T346	L296-Q298 VanDerWaalsContact C-N 3.32Å; L296-Q298 PolarHBondContact O-N 3.11Å; L296-Q299 PolarHBondContact O-N 3.11Å; L296-C300 PolarHBondContact O-N 3.11Å; L296-H311 HydrophobicContact CB-CB 3.6Å; L296-L323 HydrophobicContact CD2-CD1 4.39Å; L296-L342 HydrophobicContact CD2-CD1 3.91Å; L296-L342 HydrophobicContact CD2-CD2 3.41Å; L296-L342 VanDerWaalsContact CD2-CD2 3.41Å; L296-L342 HydrophobicContact CD2-CG 4.26Å; L296-T346 HydrophobicContact CD2-CG2 3.59Å; L296-T346 HydrophobicContact CG-CG2 4.1Å
297	D	89.8	Confident	84.1	Confident	76 Å²	76	42 Å²	42	41%	0.406	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-37.3	175.3	-69.1	-23.9	0	0	0	111.7	S295 C300 F301 H311	S295-D297 VanDerWaalsContact C-N 3.29Å; S295-D297 PolarHBondContact O-N 3.01Å; D297-C300 PolarHBondContact O-N 2.85Å; D297-F301 WeakPolarHBondContact O-CB 3.37Å; D297-F301 PolarHBondContact O-N 2.82Å; D297-H311 WeakPolarHBondContact OD1-CB 3.49Å; D297-H311 PolarHBondContact OD1-N 2.85Å
298	Q	91.9	Very high	85.7	Confident	77 Å²	77	46.2 Å²	46.2	36%	0.36	25%	0.25	S	S	.	.	H	α-helix	trans	-69.4	-34.4	175.3	-70.6	167.7	-55.5	0	0	112.3	W294 S295 L296 C300 F301 V302	W294-Q298 HydrophobicContact CE3-CB 4Å; S295-Q298 CarbonylContact O-C 3.51Å; S295-Q298 WeakPolarHBondContact O-CA 3.29Å; S295-Q298 WeakPolarHBondContact O-CB 3.44Å; S295-Q298 PolarHBondContact O-N 2.79Å; S295-Q298 VanDerWaalsContact OG-CD 3.3Å; S295-Q298 VanDerWaalsContact OG-CG 3.24Å; S295-Q298 WeakPolarHBondContact OG-CG 3.34Å; S295-Q298 PolarHBondContact OG-N 2.74Å; S295-Q298 PolarHBondContact OG-OE1 2.65Å; L296-Q298 VanDerWaalsContact C-N 3.32Å; L296-Q298 PolarHBondContact O-N 3.11Å; Q298-C300 VanDerWaalsContact C-N 3.34Å; Q298-F301 WeakPolarHBondContact O-CB 3.18Å; Q298-F301 PolarHBondContact O-N 3.38Å; Q298-V302 VanDerWaalsContact O-CG2 3.31Å; Q298-V302 WeakPolarHBondContact O-CG2 3.03Å; Q298-V302 PolarHBondContact O-N 2.87Å
299	Q	91.8	Very high	86.6	Confident	3 Å²	3	44 Å²	44	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-42.3	172.6	-66.9	178.5	46.7	0	0	110.6	W294 S295 L296 V302 I303 L323 L343 T346	W294-Q299 HydrophobicContact CB-CG 4.05Å; W294-Q299 PolarHBondContact O-NE2 2.9Å; S295-Q299 WeakPolarHBondContact O-CG 3.47Å; S295-Q299 PolarHBondContact O-N 3.04Å; L296-Q299 PolarHBondContact O-N 3.11Å; Q299-V302 PolarHBondContact O-N 2.92Å; Q299-I303 WeakPolarHBondContact O-CG1 3.15Å; Q299-I303 PolarHBondContact O-N 2.77Å; Q299-L323 HydrophobicContact CB-CD1 4.42Å; Q299-L323 HydrophobicContact CB-CD2 3.87Å; Q299-L343 HydrophobicContact CG-CD1 3.78Å; Q299-L343 HydrophobicContact CG-CG 4.2Å; Q299-L343 VanDerWaalsContact OE1-N 3.16Å; Q299-T346 PolarHBondContact NE2-OG1 3.43Å
300	C	90.6	Very high	87.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-40.8	172.7	-69.9	0	0	0	0	113.4	L296 D297 Q298 I303 S304 C325	L296-C300 PolarHBondContact O-N 3.11Å; D297-C300 PolarHBondContact O-N 2.85Å; Q298-C300 VanDerWaalsContact C-N 3.34Å; C300-I303 PolarHBondContact O-N 3.38Å; C300-S304 WeakPolarHBondContact O-CB 3.37Å; C300-S304 PolarHBondContact O-N 3Å; C300-S304 PolarHBondContact O-OG 3.43Å; C300-C325 WeakPolarHBondContact CA-SG 3.41Å; C300-C325 HydrophobicContact CB-CB 3.68Å; C300-C325 WeakPolarHBondContact CB-SG 3.21Å; C300-C325 WeakPolarHBondContact SG-CB 3.35Å; C300-C325 CovalentContact SG-SG 2.03Å; C300-C325 PolarHBondContact SG-SG 2.68Å
301	F	91.5	Very high	87.3	Confident	27 Å²	27	48.7 Å²	48.7	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-45.8	175.4	169.3	-102.2	0	0	0	112	R93 F94 D297 Q298 I303 S304 G305 S306 N307	R93-F301 VanDerWaalsContact O-CZ 3.24Å; R93-F301 WeakPolarHBondContact O-CZ 3.44Å; F94-F301 AromaticContact CD1-CE1 3.69Å; F94-F301 HydrophobicContact CD1-CE1 3.69Å; F94-F301 HydrophobicContact CE1-CD1 4.34Å; F94-F301 AromaticContact CE1-CE1 3.77Å; F94-F301 HydrophobicContact CE1-CE1 3.77Å; D297-F301 WeakPolarHBondContact O-CB 3.37Å; D297-F301 PolarHBondContact O-N 2.82Å; Q298-F301 WeakPolarHBondContact O-CB 3.18Å; Q298-F301 PolarHBondContact O-N 3.38Å; F301-I303 PolarHBondContact O-N 2.84Å; F301-S304 PolarHBondContact O-N 3.04Å; F301-S304 PolarHBondContact O-OG 3.12Å; F301-G305 WeakPolarHBondContact O-CA 3.23Å; F301-G305 PolarHBondContact O-N 2.75Å; F301-S306 VanDerWaalsContact CD2-C 3.46Å; F301-S306 WeakPolarHBondContact CD2-O 3.49Å; F301-N307 WeakPolarHBondContact CD2-OD1 3.43Å; F301-N307 HydrophobicContact CE2-CB 4.5Å; F301-N307 WeakPolarHBondContact CE2-OD1 3.07Å
302	V	90.7	Very high	87.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-33.1	179.4	165.9	0	0	0	0	111.5	R93 F94 Y103 F206 W294 Q298 Q299	R93-V302 VanDerWaalsContact CZ-O 3.3Å; R93-V302 PolarHBondContact NH1-O 2.72Å; R93-V302 PolarHBondContact NH2-O 3.2Å; F94-V302 HydrophobicContact CE1-CG2 4.02Å; F94-V302 HydrophobicContact CZ-CG2 4.23Å; Y103-V302 HydrophobicContact CD2-CG1 3.88Å; Y103-V302 HydrophobicContact CD2-CG2 4.26Å; Y103-V302 HydrophobicContact CE2-CG1 3.42Å; Y103-V302 VanDerWaalsContact CE2-CG1 3.42Å; F206-V302 HydrophobicContact CD2-CB 4.31Å; F206-V302 HydrophobicContact CD2-CG1 3.81Å; F206-V302 HydrophobicContact CE2-CB 3.92Å; F206-V302 HydrophobicContact CE2-CG1 3.75Å; F206-V302 HydrophobicContact CE2-CG2 3.87Å; F206-V302 HydrophobicContact CG-CG1 4.25Å; F206-V302 HydrophobicContact CZ-CB 4.47Å; F206-V302 HydrophobicContact CZ-CG1 4.12Å; F206-V302 HydrophobicContact CZ-CG2 4.04Å; W294-V302 HydrophobicContact CE3-CG2 3.89Å; W294-V302 HydrophobicContact CH2-CG2 4.47Å; W294-V302 HydrophobicContact CZ3-CG2 3.64Å; Q298-V302 VanDerWaalsContact O-CG2 3.31Å; Q298-V302 WeakPolarHBondContact O-CG2 3.03Å; Q298-V302 PolarHBondContact O-N 2.87Å; Q299-V302 PolarHBondContact O-N 2.92Å
303	I	84.4	Confident	86.9	Confident	32 Å²	32	46.8 Å²	46.8	16%	0.164	26%	0.262	C	S	.	.	H	α-helix	trans	-77.5	-54.2	177.9	-62.1	167.2	0	0	0	109.7	R93 Q299 C300 F301 G305 L323 M337 H340	R93-I303 PolarHBondContact NH1-O 3.47Å; R93-I303 VanDerWaalsContact NH1-O 3.16Å; Q299-I303 WeakPolarHBondContact O-CG1 3.15Å; Q299-I303 PolarHBondContact O-N 2.77Å; C300-I303 PolarHBondContact O-N 3.38Å; F301-I303 PolarHBondContact O-N 2.84Å; I303-G305 PolarHBondContact O-N 3.46Å; I303-L323 HydrophobicContact CD1-CD2 3.53Å; I303-M337 HydrophobicContact CB-SD 4.4Å; I303-M337 HydrophobicContact CD1-CB 3.89Å; I303-M337 HydrophobicContact CD1-CG 3.8Å; I303-M337 HydrophobicContact CD1-SD 4.36Å; I303-M337 HydrophobicContact CG2-SD 3.74Å; I303-H340 HydrophobicContact CD1-CB 3.98Å; I303-H340 WeakPolarHBondContact CD1-ND1 3.35Å
304	S	82.7	Confident	86	Confident	37 Å²	37	47.3 Å²	47.3	26%	0.259	29%	0.285	S	S	.	.	H	α-helix	trans	-70.5	-29.3	-173.7	64.7	0	0	0	0	114.8	C300 F301 S306 S309 M327	C300-S304 WeakPolarHBondContact O-CB 3.37Å; C300-S304 PolarHBondContact O-N 3Å; C300-S304 PolarHBondContact O-OG 3.43Å; F301-S304 PolarHBondContact O-N 3.04Å; F301-S304 PolarHBondContact O-OG 3.12Å; S304-S306 PolarHBondContact O-N 3.48Å; S304-S306 PolarHBondContact OG-N 2.91Å; S304-S306 VanDerWaalsContact OG-N 3.14Å; S304-S306 PolarHBondContact OG-O 2.02Å; S304-S309 WeakPolarHBondContact OG-CB 3.42Å; S304-M327 VanDerWaalsContact CB-SD 3.51Å
305	G	78.1	Confident	84.5	Confident	35 Å²	35	49.8 Å²	49.8	36%	0.361	30%	0.301	S	S	.	.			trans	68.7	14.3	-167.5	0	0	0	0	0	114	R93 F301 I303	R93-G305 VanDerWaalsContact NH1-CA 3.31Å; R93-G305 VanDerWaalsContact NH1-N 3.2Å; F301-G305 WeakPolarHBondContact O-CA 3.23Å; F301-G305 PolarHBondContact O-N 2.75Å; I303-G305 PolarHBondContact O-N 3.46Å
306	S	81.8	Confident	82.8	Confident	37 Å²	37	50.2 Å²	50.2	26%	0.259	32%	0.315	S	S	.	.			trans	-123.9	123.7	-174.2	177.9	0	0	0	0	111.5	F301 S304 I308 S309	F301-S306 VanDerWaalsContact CD2-C 3.46Å; F301-S306 WeakPolarHBondContact CD2-O 3.49Å; S304-S306 PolarHBondContact O-N 3.48Å; S304-S306 PolarHBondContact OG-N 2.91Å; S304-S306 VanDerWaalsContact OG-N 3.14Å; S304-S306 PolarHBondContact OG-O 2.02Å; S306-I308 PolarHBondContact O-N 3.39Å; S306-I308 PolarHBondContact OG-N 3.16Å; S306-S309 WeakPolarHBondContact O-CB 3.47Å; S306-S309 PolarHBondContact O-N 3.07Å
307	N	81.9	Confident	81.1	Confident	139 Å²	139	55.9 Å²	55.9	74%	0.743	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.8	173.9	-75.8	-28.6	0	0	0	113.6	F301 S309	F301-N307 WeakPolarHBondContact CD2-OD1 3.43Å; F301-N307 HydrophobicContact CE2-CB 4.5Å; F301-N307 WeakPolarHBondContact CE2-OD1 3.07Å; N307-S309 VanDerWaalsContact C-N 3.31Å
308	I	86.1	Confident	79.8	Confident	104 Å²	104	57.8 Å²	57.8	53%	0.533	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-19.9	176.2	-53.9	171.1	0	0	0	110.2	S306 T328 G329	S306-I308 PolarHBondContact O-N 3.39Å; S306-I308 PolarHBondContact OG-N 3.16Å; I308-T328 WeakPolarHBondContact CG2-O 3.31Å; I308-G329 VanDerWaalsContact O-CA 3.26Å; I308-G329 WeakPolarHBondContact O-CA 3.42Å
309	S	86.8	Confident	79	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.035	34%	0.337	C	S	.	.			trans	-70.6	135.5	-178.4	-167.9	0	0	0	0	111.8	S304 S306 N307 S326 M327	S304-S309 WeakPolarHBondContact OG-CB 3.42Å; S306-S309 WeakPolarHBondContact O-CB 3.47Å; S306-S309 PolarHBondContact O-N 3.07Å; N307-S309 VanDerWaalsContact C-N 3.31Å; S309-S326 WeakPolarHBondContact CA-O 3.46Å; S309-S326 WeakPolarHBondContact CB-O 3Å; S309-S326 PolarHBondContact OG-O 3.31Å; S309-M327 WeakPolarHBondContact OG-CE 3.42Å
310	Q	89.3	Confident	78.6	Confident	86 Å²	86	55.6 Å²	55.6	40%	0.402	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.6	-177.5	-68.3	-177.6	-13.4	0	0	110.3	C325 S326	Q310-C325 CarbonylContact O-C 3.37Å; Q310-C325 WeakPolarHBondContact O-CA 3.42Å; Q310-S326 PolarHBondContact N-O 3.41Å; Q310-S326 PolarHBondContact O-N 3.45Å
311	H	88.4	Confident	78.1	Confident	51 Å²	51	58.8 Å²	58.8	24%	0.236	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138.5	172.7	169.5	-94.4	0	0	0	111.1	L296 D297 P313 W324	L296-H311 HydrophobicContact CB-CB 3.6Å; D297-H311 WeakPolarHBondContact OD1-CB 3.49Å; D297-H311 PolarHBondContact OD1-N 2.85Å; H311-P313 WeakPolarHBondContact O-CD 3.34Å; H311-W324 PolarHBondContact CD2-O 3.5Å
312	C	86.7	Confident	77.6	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.034	36%	0.355	C	S	.	.			trans	-88.1	114.4	179.3	-69.3	0	0	0	0	111.7	W324 S326 C334	C312-W324 HydrophobicContact CB-CB 4.09Å; C312-W324 PolarHBondContact N-O 2.92Å; C312-S326 PolarHBondContact SG-N 2.81Å; C312-S326 VanDerWaalsContact SG-N 3.37Å; C312-C334 HydrophobicContact CB-CB 3.78Å; C312-C334 WeakPolarHBondContact CB-SG 3.41Å; C312-C334 WeakPolarHBondContact SG-CB 3.42Å; C312-C334 CovalentContact SG-SG 2.02Å; C312-C334 PolarHBondContact SG-SG 3.18Å
313	P	77.3	Confident	77.4	Confident	87 Å²	87	59.3 Å²	59.3	57%	0.565	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	141.2	176.8	29.4	-33	0	0	0	111.1	H311	H311-P313 WeakPolarHBondContact O-CD 3.34Å
314	G	66.4	Low	77.6	Confident	79 Å²	79	61 Å²	61	81%	0.814	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.3	8.9	166.8	0	0	0	0	0	117.3	G316	G314-G316 PolarHBondContact O-N 3.02Å
315	V	58.9	Low	77.9	Confident	61 Å²	61	59.2 Å²	59.2	37%	0.37	35%	0.347	S	S	.	.			trans	-98.2	86	176.6	-158.3	0	0	0	0	110.1	W324	V315-W324 HydrophobicContact CB-CG 4.36Å; V315-W324 HydrophobicContact CG1-CG 4.44Å; V315-W324 HydrophobicContact CG2-CB 4.09Å; V315-W324 HydrophobicContact CG2-CD2 4.11Å; V315-W324 HydrophobicContact CG2-CG 3.77Å
316	G	54.6	Low	78.5	Confident	68 Å²	68	57.6 Å²	57.6	70%	0.701	33%	0.331	S	S	*	.			trans	-92.6	-12.1	-168.9	0	0	0	0	0	116.7	G314	G314-G316 PolarHBondContact O-N 3.02Å
317	E	53.4	Low	78.6	Confident	165 Å²	165	58.7 Å²	58.7	77%	0.771	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-26.4	-169.7	-153.1	165.1	-163.7	0	0	113
318	Y	61.9	Low	78.6	Confident	115 Å²	115	56.4 Å²	56.4	45%	0.451	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140	45.2	-178	-60	-74.8	0	0	0	112.2	C320 Q321 E322	Y318-C320 PolarHBondContact O-N 3.49Å; Y318-Q321 PolarHBondContact O-N 3.33Å; Y318-E322 PolarHBondContact O-N 3.33Å
319	A	76	Confident	78.3	Confident	30 Å²	30	52.7 Å²	52.7	25%	0.248	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-40.6	-166.4	0	0	0	0	0	114.3	L342 C348	A319-L342 WeakPolarHBondContact O-CD1 3.49Å; A319-L342 WeakPolarHBondContact O-CG 3.38Å; A319-C348 HydrophobicContact CB-CB 4.31Å
320	C	83.3	Confident	78	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.027	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-16.2	-177.8	-62.1	0	0	0	0	115.3	Y318 G341 L342 C348 C354 G357	Y318-C320 PolarHBondContact O-N 3.49Å; C320-G341 WeakPolarHBondContact O-CA 3.46Å; C320-L342 PolarHBondContact O-N 3.37Å; C320-C348 VanDerWaalsContact SG-CB 3.59Å; C320-C354 WeakPolarHBondContact CA-SG 3.03Å; C320-C354 HydrophobicContact CB-CB 3.69Å; C320-C354 WeakPolarHBondContact CB-SG 3.43Å; C320-C354 WeakPolarHBondContact SG-CA 3.31Å; C320-C354 WeakPolarHBondContact SG-CB 3.07Å; C320-C354 CovalentContact SG-SG 2.04Å; C320-C354 PolarHBondContact SG-SG 2.93Å; C320-G357 VanDerWaalsContact CB-O 3.3Å; C320-G357 WeakPolarHBondContact CB-O 3.18Å
321	Q	80.2	Confident	77.2	Confident	67 Å²	67	57.4 Å²	57.4	31%	0.313	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-17.3	-175.1	-57	-178.9	-0.2	0	0	112.7	H250 Y318 G341 G357	H250-Q321 HydrophobicContact CB-CB 4.33Å; H250-Q321 HydrophobicContact CB-CG 3.92Å; Y318-Q321 PolarHBondContact O-N 3.33Å; Q321-G341 WeakPolarHBondContact O-CA 3.32Å; Q321-G357 WeakPolarHBondContact CG-O 3.42Å
322	E	81.1	Confident	76.5	Confident	36 Å²	36	61.7 Å²	61.7	17%	0.168	36%	0.359	C	S	.	.			trans	-135.8	128.6	-173.6	-49.8	-173.5	153.9	0	0	111.3	Y318 W324 K336	Y318-E322 PolarHBondContact O-N 3.33Å; E322-W324 PolarHBondContact OE2-NE1 3.2Å; E322-K336 VanDerWaalsContact CD-NZ 3.31Å; E322-K336 HydrophobicContact CG-CD 4.42Å; E322-K336 WeakPolarHBondContact OE1-CE 3.35Å; E322-K336 IonicContact OE1-NZ 2.59Å; E322-K336 PolarHBondContact OE1-NZ 2.93Å
323	L	85.6	Confident	76.4	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	39%	0.386	C	S	.	.			trans	-99.5	125.3	167.7	179.1	66.3	0	0	0	109.9	L296 Q299 I303 M337 H340 L342	L296-L323 HydrophobicContact CD2-CD1 4.39Å; Q299-L323 HydrophobicContact CB-CD1 4.42Å; Q299-L323 HydrophobicContact CB-CD2 3.87Å; I303-L323 HydrophobicContact CD1-CD2 3.53Å; L323-M337 HydrophobicContact CB-CB 4.36Å; L323-M337 HydrophobicContact CB-CG 4.48Å; L323-M337 HydrophobicContact CD2-CG 4.26Å; L323-M337 HydrophobicContact CG-CG 4.24Å; L323-M337 WeakPolarHBondContact O-CB 3.48Å; L323-M337 WeakPolarHBondContact O-CG 3.43Å; L323-M337 PolarHBondContact O-N 2.9Å; L323-H340 HydrophobicContact CB-CB 4.42Å; L323-H340 WeakPolarHBondContact CB-O 3.27Å; L323-H340 PolarHBondContact N-O 3.27Å; L323-L342 HydrophobicContact CB-CD2 4.11Å; L323-L342 HydrophobicContact CD1-CD2 3.5Å; L323-L342 VanDerWaalsContact CD1-CD2 3.5Å; L323-L342 HydrophobicContact CG-CD2 4.37Å
324	W	88.1	Confident	76.8	Confident	67 Å²	67	65.5 Å²	65.5	25%	0.254	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.4	178.7	-71.3	78.4	0	0	0	110.5	H311 C312 V315 E322 C334 K336	H311-W324 PolarHBondContact CD2-O 3.5Å; C312-W324 HydrophobicContact CB-CB 4.09Å; C312-W324 PolarHBondContact N-O 2.92Å; V315-W324 HydrophobicContact CB-CG 4.36Å; V315-W324 HydrophobicContact CG1-CG 4.44Å; V315-W324 HydrophobicContact CG2-CB 4.09Å; V315-W324 HydrophobicContact CG2-CD2 4.11Å; V315-W324 HydrophobicContact CG2-CG 3.77Å; E322-W324 PolarHBondContact OE2-NE1 3.2Å; W324-C334 HydrophobicContact CE3-CB 4.34Å; W324-K336 HydrophobicContact CD2-CB 4.06Å; W324-K336 HydrophobicContact CE3-CB 4.12Å; W324-K336 HydrophobicContact CH2-CB 3.97Å; W324-K336 HydrophobicContact CZ2-CB 3.87Å; W324-K336 HydrophobicContact CZ2-CD 4.12Å; W324-K336 HydrophobicContact CZ2-CG 4.29Å; W324-K336 HydrophobicContact CZ3-CB 4.07Å
325	C	89.3	Confident	77.7	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.4	-173	-59.2	0	0	0	0	110.9	C300 Q310 M327 D335 M337	C300-C325 WeakPolarHBondContact CA-SG 3.41Å; C300-C325 HydrophobicContact CB-CB 3.68Å; C300-C325 WeakPolarHBondContact CB-SG 3.21Å; C300-C325 WeakPolarHBondContact SG-CB 3.35Å; C300-C325 CovalentContact SG-SG 2.03Å; C300-C325 PolarHBondContact SG-SG 2.68Å; Q310-C325 CarbonylContact O-C 3.37Å; Q310-C325 WeakPolarHBondContact O-CA 3.42Å; C325-M327 HydrophobicContact CB-CE 3.22Å; C325-D335 PolarHBondContact N-O 3.41Å; C325-D335 PolarHBondContact O-N 3.43Å; C325-M337 HydrophobicContact CB-CE 4.07Å; C325-M337 HydrophobicContact CB-CG 4.11Å; C325-M337 HydrophobicContact CB-SD 4.05Å; C325-M337 VanDerWaalsContact SG-CG 3.56Å
326	S	90.4	Very high	78.9	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.014	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.5	164.2	176.5	0	0	0	0	108.5	S309 Q310 C312 T328 G329 S330 H333	S309-S326 WeakPolarHBondContact CA-O 3.46Å; S309-S326 WeakPolarHBondContact CB-O 3Å; S309-S326 PolarHBondContact OG-O 3.31Å; Q310-S326 PolarHBondContact N-O 3.41Å; Q310-S326 PolarHBondContact O-N 3.45Å; C312-S326 PolarHBondContact SG-N 2.81Å; C312-S326 VanDerWaalsContact SG-N 3.37Å; S326-T328 VanDerWaalsContact C-N 3.31Å; S326-G329 PolarHBondContact OG-N 3.07Å; S326-G329 VanDerWaalsContact OG-N 3.07Å; S326-S330 WeakPolarHBondContact CB-O 3.14Å; S326-S330 PolarHBondContact OG-N 3.22Å; S326-S330 VanDerWaalsContact OG-N 3.14Å; S326-S330 PolarHBondContact OG-O 3.49Å; S326-H333 WeakPolarHBondContact CA-O 3.06Å; S326-H333 WeakPolarHBondContact CB-O 3.48Å; S326-H333 PolarHBondContact OG-O 3.34Å
327	M	84.6	Confident	80.1	Confident	59 Å²	59	65.5 Å²	65.5	29%	0.291	33%	0.331	S	S	.	.	S	Bend	trans	-76.3	-23.2	176.1	-62.9	-62.4	108.3	0	0	112.4	S304 S309 C325 M337	S304-M327 VanDerWaalsContact CB-SD 3.51Å; S309-M327 WeakPolarHBondContact OG-CE 3.42Å; C325-M327 HydrophobicContact CB-CE 3.22Å; M327-M337 HydrophobicContact CE-CE 3.65Å; M327-M337 HydrophobicContact CE-SD 3.67Å
328	T	82.7	Confident	80.9	Confident	92 Å²	92	64 Å²	64	56%	0.564	33%	0.328	S	S	*	.	S	Bend	trans	-101.5	-4.2	-174.5	60.1	0	0	0	0	113.2	I308 S326 S330	I308-T328 WeakPolarHBondContact CG2-O 3.31Å; S326-T328 VanDerWaalsContact C-N 3.31Å; T328-S330 PolarHBondContact O-N 3.09Å; T328-S330 PolarHBondContact OG1-N 2.95Å
329	G	79	Confident	81.2	Confident	25 Å²	25	60.3 Å²	60.3	26%	0.258	32%	0.316	S	S	.	.	S	Bend	trans	75.3	-5.8	-172	0	0	0	0	0	113.5	I308 S326	I308-G329 VanDerWaalsContact O-CA 3.26Å; I308-G329 WeakPolarHBondContact O-CA 3.42Å; S326-G329 PolarHBondContact OG-N 3.07Å; S326-G329 VanDerWaalsContact OG-N 3.07Å
330	S	80.9	Confident	81.1	Confident	42 Å²	42	60 Å²	60	29%	0.294	31%	0.309	S	S	.	.			trans	-80.8	125.4	171.9	178.3	0	0	0	0	110.6	S326 T328 D332 H333	S326-S330 WeakPolarHBondContact CB-O 3.14Å; S326-S330 PolarHBondContact OG-N 3.22Å; S326-S330 VanDerWaalsContact OG-N 3.14Å; S326-S330 PolarHBondContact OG-O 3.49Å; T328-S330 PolarHBondContact O-N 3.09Å; T328-S330 PolarHBondContact OG1-N 2.95Å; S330-D332 PolarHBondContact O-N 3.06Å; S330-D332 VanDerWaalsContact O-N 3.13Å; S330-D332 WeakPolarHBondContact OG-CB 3.37Å; S330-D332 PolarHBondContact OG-N 3.3Å; S330-D332 PolarHBondContact OG-OD2 2.93Å; S330-H333 PolarHBondContact O-N 3.37Å
331	K	72	Confident	80.9	Confident	149 Å²	149	60.6 Å²	60.6	65%	0.648	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.2	173.5	-67.2	-176.3	178.3	-178.8	0	113.4	H333	K331-H333 VanDerWaalsContact C-N 3.33Å
332	D	75	Confident	81.3	Confident	140 Å²	140	58 Å²	58	75%	0.749	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.8	180	-56.3	-35.7	0	0	0	112.8	S330	S330-D332 PolarHBondContact O-N 3.06Å; S330-D332 VanDerWaalsContact O-N 3.13Å; S330-D332 WeakPolarHBondContact OG-CB 3.37Å; S330-D332 PolarHBondContact OG-N 3.3Å; S330-D332 PolarHBondContact OG-OD2 2.93Å
333	H	82.8	Confident	81.7	Confident	129 Å²	129	57 Å²	57	60%	0.597	30%	0.299	S	S	*	.			trans	-128.6	101.2	-178.7	-66.9	73.2	0	0	0	109.5	S326 S330 K331	S326-H333 WeakPolarHBondContact CA-O 3.06Å; S326-H333 WeakPolarHBondContact CB-O 3.48Å; S326-H333 PolarHBondContact OG-O 3.34Å; S330-H333 PolarHBondContact O-N 3.37Å; K331-H333 VanDerWaalsContact C-N 3.33Å
334	C	86.1	Confident	81.7	Confident	43 Å²	43	58.6 Å²	58.6	29%	0.291	31%	0.308	S	S	.	.			trans	-120.1	123.2	-179.7	-68.5	0	0	0	0	109.6	C312 W324	C312-C334 HydrophobicContact CB-CB 3.78Å; C312-C334 WeakPolarHBondContact CB-SG 3.41Å; C312-C334 WeakPolarHBondContact SG-CB 3.42Å; C312-C334 CovalentContact SG-SG 2.02Å; C312-C334 PolarHBondContact SG-SG 3.18Å; W324-C334 HydrophobicContact CE3-CB 4.34Å
335	D	85.5	Confident	81.6	Confident	90 Å²	90	55.4 Å²	55.4	48%	0.481	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.6	177	-63.9	-52.9	0	0	0	109.6	C325 M337	C325-D335 PolarHBondContact N-O 3.41Å; C325-D335 PolarHBondContact O-N 3.43Å; D335-M337 HydrophobicContact CB-CE 3.65Å; D335-M337 WeakPolarHBondContact O-CE 3.39Å
336	K	83.6	Confident	81.5	Confident	100 Å²	100	55.5 Å²	55.5	44%	0.435	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.6	170	179.6	176.4	171.9	176.8	0	108.9	E322 W324 L338	E322-K336 VanDerWaalsContact CD-NZ 3.31Å; E322-K336 HydrophobicContact CG-CD 4.42Å; E322-K336 WeakPolarHBondContact OE1-CE 3.35Å; E322-K336 IonicContact OE1-NZ 2.59Å; E322-K336 PolarHBondContact OE1-NZ 2.93Å; W324-K336 HydrophobicContact CD2-CB 4.06Å; W324-K336 HydrophobicContact CE3-CB 4.12Å; W324-K336 HydrophobicContact CH2-CB 3.97Å; W324-K336 HydrophobicContact CZ2-CB 3.87Å; W324-K336 HydrophobicContact CZ2-CD 4.12Å; W324-K336 HydrophobicContact CZ2-CG 4.29Å; W324-K336 HydrophobicContact CZ3-CB 4.07Å; K336-L338 PolarHBondContact O-N 3.08Å
337	M	81.5	Confident	81.4	Confident	18 Å²	18	59.6 Å²	59.6	9%	0.089	32%	0.323	C	S	.	.			trans	-76.6	112.1	176.7	-58.5	-62.1	95.6	0	0	109.1	I303 L323 C325 M327 D335 N339 H340	I303-M337 HydrophobicContact CB-SD 4.4Å; I303-M337 HydrophobicContact CD1-CB 3.89Å; I303-M337 HydrophobicContact CD1-CG 3.8Å; I303-M337 HydrophobicContact CD1-SD 4.36Å; I303-M337 HydrophobicContact CG2-SD 3.74Å; L323-M337 HydrophobicContact CB-CB 4.36Å; L323-M337 HydrophobicContact CB-CG 4.48Å; L323-M337 HydrophobicContact CD2-CG 4.26Å; L323-M337 HydrophobicContact CG-CG 4.24Å; L323-M337 WeakPolarHBondContact O-CB 3.48Å; L323-M337 WeakPolarHBondContact O-CG 3.43Å; L323-M337 PolarHBondContact O-N 2.9Å; C325-M337 HydrophobicContact CB-CE 4.07Å; C325-M337 HydrophobicContact CB-CG 4.11Å; C325-M337 HydrophobicContact CB-SD 4.05Å; C325-M337 VanDerWaalsContact SG-CG 3.56Å; M327-M337 HydrophobicContact CE-CE 3.65Å; M327-M337 HydrophobicContact CE-SD 3.67Å; D335-M337 HydrophobicContact CB-CE 3.65Å; D335-M337 WeakPolarHBondContact O-CE 3.39Å; M337-N339 PolarHBondContact O-N 3.4Å; M337-H340 HydrophobicContact CB-CB 3.76Å; M337-H340 PolarHBondContact O-N 3.37Å
338	L	70	Confident	81.5	Confident	135 Å²	135	58.2 Å²	58.2	71%	0.707	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	132.3	-174.2	-171.8	70.9	0	0	0	111.2	K336 H340	K336-L338 PolarHBondContact O-N 3.08Å; L338-H340 PolarHBondContact O-CD2 3.26Å; L338-H340 PolarHBondContact O-N 3.46Å
339	N	68.4	Low	81.5	Confident	37 Å²	37	55.6 Å²	55.6	20%	0.198	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	3.1	-178.7	-55.6	-22	0	0	0	116	F207 I245 A248 M337	F207-N339 HydrophobicContact CD2-CB 3.64Å; F207-N339 HydrophobicContact CE2-CB 3.39Å; F207-N339 WeakPolarHBondContact CE2-ND2 3.47Å; F207-N339 HydrophobicContact CZ-CB 4.33Å; I245-N339 PolarHBondContact O-ND2 2.87Å; A248-N339 HydrophobicContact CB-CB 4.2Å; M337-N339 PolarHBondContact O-N 3.4Å
340	H	72.8	Confident	81.6	Confident	24 Å²	24	62.3 Å²	62.3	11%	0.111	34%	0.335	C	S	.	.			trans	-99.7	106	177.8	-70.3	-91.5	0	0	0	111	F207 I303 L323 M337 L338	F207-H340 WeakPolarHBondContact CB-CE1 3.25Å; F207-H340 VanDerWaalsContact CB-NE2 3.27Å; F207-H340 WeakPolarHBondContact CB-NE2 3.49Å; F207-H340 PolarHBondContact N-CE1 3.15Å; F207-H340 VanDerWaalsContact N-CE1 3.34Å; I303-H340 HydrophobicContact CD1-CB 3.98Å; I303-H340 WeakPolarHBondContact CD1-ND1 3.35Å; L323-H340 HydrophobicContact CB-CB 4.42Å; L323-H340 WeakPolarHBondContact CB-O 3.27Å; L323-H340 PolarHBondContact N-O 3.27Å; M337-H340 HydrophobicContact CB-CB 3.76Å; M337-H340 PolarHBondContact O-N 3.37Å; L338-H340 PolarHBondContact O-CD2 3.26Å; L338-H340 PolarHBondContact O-N 3.46Å
341	G	80.2	Confident	81.6	Confident	15 Å²	15	67.3 Å²	67.3	16%	0.155	35%	0.351	C	S	.	.			trans	-82.7	177.6	161.5	0	0	0	0	0	111.4	C320 Q321	C320-G341 WeakPolarHBondContact O-CA 3.46Å; Q321-G341 WeakPolarHBondContact O-CA 3.32Å
342	L	88.5	Confident	82.2	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.073	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-70.3	143	169.1	-59	-171.3	0	0	0	109.6	L296 A319 C320 L323 T346 C354	L296-L342 HydrophobicContact CD2-CD1 3.91Å; L296-L342 HydrophobicContact CD2-CD2 3.41Å; L296-L342 VanDerWaalsContact CD2-CD2 3.41Å; L296-L342 HydrophobicContact CD2-CG 4.26Å; A319-L342 WeakPolarHBondContact O-CD1 3.49Å; A319-L342 WeakPolarHBondContact O-CG 3.38Å; C320-L342 PolarHBondContact O-N 3.37Å; L323-L342 HydrophobicContact CB-CD2 4.11Å; L323-L342 HydrophobicContact CD1-CD2 3.5Å; L323-L342 VanDerWaalsContact CD1-CD2 3.5Å; L323-L342 HydrophobicContact CG-CD2 4.37Å; L342-T346 HydrophobicContact CB-CG2 4.21Å; L342-T346 HydrophobicContact CD1-CG2 3.86Å; L342-T346 HydrophobicContact CG-CG2 4.49Å; L342-C354 HydrophobicContact CB-CB 4.46Å
343	L	89.5	Confident	82.7	Confident	13 Å²	13	58.6 Å²	58.6	7%	0.068	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-62.1	145.8	175.1	-68.9	176.3	0	0	0	111.8	M110 F206 P290 W294 Q299 G345 T346	M110-L343 HydrophobicContact CE-CD2 3.79Å; M110-L343 HydrophobicContact SD-CD2 3.53Å; M110-L343 VanDerWaalsContact SD-CD2 3.53Å; F206-L343 HydrophobicContact CB-CD2 4.38Å; F206-L343 HydrophobicContact CD2-CD1 3.9Å; F206-L343 HydrophobicContact CD2-CD2 4.22Å; F206-L343 HydrophobicContact CD2-CG 4.41Å; F206-L343 HydrophobicContact CE2-CD1 3.71Å; F206-L343 HydrophobicContact CG-CD1 4.5Å; F206-L343 HydrophobicContact CG-CD2 4.2Å; F206-L343 HydrophobicContact CZ-CD1 4.17Å; P290-L343 HydrophobicContact CB-CB 4.02Å; P290-L343 HydrophobicContact CB-CD1 3.8Å; P290-L343 HydrophobicContact CB-CD2 4.14Å; P290-L343 HydrophobicContact CB-CG 4.21Å; W294-L343 HydrophobicContact CB-CD1 3.8Å; W294-L343 HydrophobicContact CG-CD1 4.16Å; Q299-L343 HydrophobicContact CG-CD1 3.78Å; Q299-L343 HydrophobicContact CG-CG 4.2Å; Q299-L343 VanDerWaalsContact OE1-N 3.16Å; L343-G345 PolarHBondContact O-N 3.32Å; L343-T346 WeakPolarHBondContact O-CB 3.16Å; L343-T346 PolarHBondContact O-N 3.05Å; L343-T346 PolarHBondContact O-OG1 2.94Å
344	D	85	Confident	82.8	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.193	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	139.5	174.2	-72.4	-11.5	0	0	0	110.9	L289 G291 T346 C354 F355 H356	L289-D344 CarbonylContact C-O 3.52Å; L289-D344 VanDerWaalsContact CB-O 3.28Å; L289-D344 WeakPolarHBondContact CB-O 3.27Å; L289-D344 HydrophobicContact CD2-CB 4.2Å; G291-D344 VanDerWaalsContact CA-O 3.28Å; G291-D344 WeakPolarHBondContact CA-O 3.48Å; G291-D344 PolarHBondContact N-O 3.44Å; D344-T346 VanDerWaalsContact C-N 3.31Å; D344-C354 CarbonylContact C-O 3.55Å; D344-C354 WeakPolarHBondContact CA-O 3.42Å; D344-F355 HydrophobicContact CB-CD2 4.35Å; D344-F355 VanDerWaalsContact OD1-CA 3.31Å; D344-F355 WeakPolarHBondContact OD1-CA 3.04Å; D344-H356 PolarHBondContact OD1-N 2.74Å; D344-H356 IonicContact OD2-ND1 3.09Å
345	G	85.7	Confident	82.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-8.4	-171.6	0	0	0	0	0	114.5	L343 C354	L343-G345 PolarHBondContact O-N 3.32Å; G345-C354 PolarHBondContact N-O 3.15Å
346	T	88.1	Confident	81.9	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	28%	0.281	C	S	.	.			trans	-65.8	130.3	177.3	-56.9	0	0	0	0	109.9	G291 L296 Q299 L342 L343 D344 C348 E353 C354	G291-T346 WeakPolarHBondContact CA-OG1 3.34Å; L296-T346 HydrophobicContact CD2-CG2 3.59Å; L296-T346 HydrophobicContact CG-CG2 4.1Å; Q299-T346 PolarHBondContact NE2-OG1 3.43Å; L342-T346 HydrophobicContact CB-CG2 4.21Å; L342-T346 HydrophobicContact CD1-CG2 3.86Å; L342-T346 HydrophobicContact CG-CG2 4.49Å; L343-T346 WeakPolarHBondContact O-CB 3.16Å; L343-T346 PolarHBondContact O-N 3.05Å; L343-T346 PolarHBondContact O-OG1 2.94Å; D344-T346 VanDerWaalsContact C-N 3.31Å; T346-C348 PolarHBondContact O-N 3.09Å; T346-E353 CarbonylContact O-C 3.57Å; T346-E353 WeakPolarHBondContact O-CA 3.4Å; T346-C354 PolarHBondContact O-N 2.87Å
347	P	87.3	Confident	81.5	Confident	89 Å²	89	50.2 Å²	50.2	58%	0.578	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	128.2	177.2	-23.4	33.8	0	0	0	111.8
348	C	86	Confident	81.3	Confident	29 Å²	29	55.7 Å²	55.7	20%	0.196	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	3.3	-179.9	63	0	0	0	0	113.2	A319 C320 T346 K352 C359	A319-C348 HydrophobicContact CB-CB 4.31Å; C320-C348 VanDerWaalsContact SG-CB 3.59Å; T346-C348 PolarHBondContact O-N 3.09Å; C348-K352 PolarHBondContact N-O 3.43Å; C348-K352 VanDerWaalsContact N-O 3.1Å; C348-K352 VanDerWaalsContact SG-CB 3.6Å; C348-C359 HydrophobicContact CB-CB 3.84Å; C348-C359 WeakPolarHBondContact CB-SG 2.98Å; C348-C359 WeakPolarHBondContact SG-CA 2.98Å; C348-C359 WeakPolarHBondContact SG-CB 3.23Å; C348-C359 CovalentContact SG-SG 2.03Å; C348-C359 PolarHBondContact SG-SG 2.95Å
349	G	83.6	Confident	82	Confident	38 Å²	38	51.8 Å²	51.8	39%	0.392	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	177.9	177.9	0	0	0	0	0	111.8	K351 K352	G349-K351 PolarHBondContact O-N 3.45Å; G349-K351 VanDerWaalsContact O-N 3.11Å; G349-K352 PolarHBondContact O-N 3.28Å; G349-K352 VanDerWaalsContact O-N 3.12Å
350	E	81.5	Confident	82.6	Confident	165 Å²	165	53.2 Å²	53.2	77%	0.771	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	115.4	174.7	-167.9	-170.8	158.2	0	0	109.8	K352	E350-K352 PolarHBondContact O-N 3.4Å
351	K	80.2	Confident	83	Confident	147 Å²	147	57 Å²	57	64%	0.639	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	32.3	-174.8	-55.7	169.6	-175.2	166.5	0	113.3	G349 L362	G349-K351 PolarHBondContact O-N 3.45Å; G349-K351 VanDerWaalsContact O-N 3.11Å; K351-L362 VanDerWaalsContact O-CB 3.28Å; K351-L362 WeakPolarHBondContact O-CB 3.29Å; K351-L362 WeakPolarHBondContact O-CG 3.25Å; K351-L362 PolarHBondContact O-N 3.24Å
352	K	84.8	Confident	82.4	Confident	68 Å²	68	59.4 Å²	59.4	30%	0.296	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.6	174.2	-50.6	-168.2	-171.8	-118.3	0	111.8	C348 G349 E350 I360 D361	C348-K352 PolarHBondContact N-O 3.43Å; C348-K352 VanDerWaalsContact N-O 3.1Å; C348-K352 VanDerWaalsContact SG-CB 3.6Å; G349-K352 PolarHBondContact O-N 3.28Å; G349-K352 VanDerWaalsContact O-N 3.12Å; E350-K352 PolarHBondContact O-N 3.4Å; K352-I360 CarbonylContact C-O 3.6Å; K352-I360 WeakPolarHBondContact CA-O 3.35Å; K352-I360 WeakPolarHBondContact CB-O 3.48Å; K352-D361 WeakPolarHBondContact CD-OD1 3.11Å; K352-D361 WeakPolarHBondContact CE-OD1 3.22Å; K352-D361 WeakPolarHBondContact CG-OD1 3.47Å; K352-D361 IonicContact NZ-OD1 2.98Å; K352-D361 PolarHBondContact NZ-OD1 2.81Å; K352-D361 IonicContact NZ-OD2 3.63Å; K352-D361 PolarHBondContact NZ-OD2 2.92Å
353	E	86.3	Confident	80.9	Confident	39 Å²	39	63.3 Å²	63.3	18%	0.182	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.9	177.5	-71.8	177.1	-168.4	0	0	110.9	W292 T346 I360 L362	W292-E353 PolarHBondContact NE1-OE2 2.03Å; T346-E353 CarbonylContact O-C 3.57Å; T346-E353 WeakPolarHBondContact O-CA 3.4Å; E353-I360 PolarHBondContact N-O 3.49Å; E353-I360 VanDerWaalsContact O-CG1 3.26Å; E353-I360 WeakPolarHBondContact O-CG1 3.3Å; E353-I360 PolarHBondContact O-N 3.39Å; E353-L362 HydrophobicContact CB-CD2 4.27Å; E353-L362 HydrophobicContact CG-CD1 4.02Å; E353-L362 HydrophobicContact CG-CD2 4.12Å; E353-L362 HydrophobicContact CG-CG 4.3Å
354	C	84.1	Confident	78.9	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.007	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.6	173.5	-65.3	0	0	0	0	111.3	C320 L342 D344 G345 T346 E358	C320-C354 WeakPolarHBondContact CA-SG 3.03Å; C320-C354 HydrophobicContact CB-CB 3.69Å; C320-C354 WeakPolarHBondContact CB-SG 3.43Å; C320-C354 WeakPolarHBondContact SG-CA 3.31Å; C320-C354 WeakPolarHBondContact SG-CB 3.07Å; C320-C354 CovalentContact SG-SG 2.04Å; C320-C354 PolarHBondContact SG-SG 2.93Å; L342-C354 HydrophobicContact CB-CB 4.46Å; D344-C354 CarbonylContact C-O 3.55Å; D344-C354 WeakPolarHBondContact CA-O 3.42Å; G345-C354 PolarHBondContact N-O 3.15Å; T346-C354 PolarHBondContact O-N 2.87Å; C354-E358 CarbonylContact C-O 3.52Å; C354-E358 VanDerWaalsContact CA-O 3.32Å; C354-E358 WeakPolarHBondContact CA-O 3.25Å
355	F	79.3	Confident	77	Confident	83 Å²	83	71.8 Å²	71.8	36%	0.364	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	120.7	173.4	-163.5	-104.9	0	0	0	109.6	L289 D344 G357 E358 I360	L289-F355 HydrophobicContact CD1-CD2 4.48Å; L289-F355 HydrophobicContact CD2-CE2 4.28Å; D344-F355 HydrophobicContact CB-CD2 4.35Å; D344-F355 VanDerWaalsContact OD1-CA 3.31Å; D344-F355 WeakPolarHBondContact OD1-CA 3.04Å; F355-G357 PolarHBondContact O-N 2.52Å; F355-E358 PolarHBondContact N-O 2.91Å; F355-E358 PolarHBondContact O-N 2.89Å; F355-I360 HydrophobicContact CB-CD1 3.58Å; F355-I360 HydrophobicContact CB-CG1 3.95Å; F355-I360 HydrophobicContact CD1-CD1 4.45Å; F355-I360 HydrophobicContact CG-CD1 4.1Å
356	H	72.7	Confident	74.9	Confident	96 Å²	96	80 Å²	80	44%	0.444	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	39.4	-174.1	-61.1	-54.2	0	0	0	113.6	D344 E358	D344-H356 PolarHBondContact OD1-N 2.74Å; D344-H356 IonicContact OD2-ND1 3.09Å; H356-E358 VanDerWaalsContact C-N 3.27Å; H356-E358 PolarHBondContact O-N 3.49Å
357	G	76	Confident	72.7	Confident	6 Å²	6	83.6 Å²	83.6	6%	0.062	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	3.4	-179.2	0	0	0	0	0	115.3	C320 Q321 F355	C320-G357 VanDerWaalsContact CB-O 3.3Å; C320-G357 WeakPolarHBondContact CB-O 3.18Å; Q321-G357 WeakPolarHBondContact CG-O 3.42Å; F355-G357 PolarHBondContact O-N 2.52Å
358	E	77	Confident	70.3	Confident	133 Å²	133	85 Å²	85	62%	0.621	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.2	174.7	-61.1	-169	159.7	0	0	111.8	C354 F355 H356 I360	C354-E358 CarbonylContact C-O 3.52Å; C354-E358 VanDerWaalsContact CA-O 3.32Å; C354-E358 WeakPolarHBondContact CA-O 3.25Å; F355-E358 PolarHBondContact N-O 2.91Å; F355-E358 PolarHBondContact O-N 2.89Å; H356-E358 VanDerWaalsContact C-N 3.27Å; H356-E358 PolarHBondContact O-N 3.49Å; E358-I360 HydrophobicContact CB-CG2 4.21Å
359	C	84.8	Confident	68	Low	53 Å²	53	90.6 Å²	90.6	36%	0.358	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	103.6	174.7	-177.8	0	0	0	0	110.4	C348	C348-C359 HydrophobicContact CB-CB 3.84Å; C348-C359 WeakPolarHBondContact CB-SG 2.98Å; C348-C359 WeakPolarHBondContact SG-CA 2.98Å; C348-C359 WeakPolarHBondContact SG-CB 3.23Å; C348-C359 CovalentContact SG-SG 2.03Å; C348-C359 PolarHBondContact SG-SG 2.95Å
360	I	81.4	Confident	65.9	Low	67 Å²	67	93.5 Å²	93.5	34%	0.344	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.9	-170.9	62.1	163.5	0	0	0	112.8	K352 E353 F355 E358	K352-I360 CarbonylContact C-O 3.6Å; K352-I360 WeakPolarHBondContact CA-O 3.35Å; K352-I360 WeakPolarHBondContact CB-O 3.48Å; E353-I360 PolarHBondContact N-O 3.49Å; E353-I360 VanDerWaalsContact O-CG1 3.26Å; E353-I360 WeakPolarHBondContact O-CG1 3.3Å; E353-I360 PolarHBondContact O-N 3.39Å; F355-I360 HydrophobicContact CB-CD1 3.58Å; F355-I360 HydrophobicContact CB-CG1 3.95Å; F355-I360 HydrophobicContact CD1-CD1 4.45Å; F355-I360 HydrophobicContact CG-CD1 4.1Å; E358-I360 HydrophobicContact CB-CG2 4.21Å
361	D	80.6	Confident	63.9	Low	103 Å²	103	88.4 Å²	88.4	55%	0.551	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.8	176.1	-74	-64.5	0	0	0	112.3	K352 N363	K352-D361 WeakPolarHBondContact CD-OD1 3.11Å; K352-D361 WeakPolarHBondContact CE-OD1 3.22Å; K352-D361 WeakPolarHBondContact CG-OD1 3.47Å; K352-D361 IonicContact NZ-OD1 2.98Å; K352-D361 PolarHBondContact NZ-OD1 2.81Å; K352-D361 IonicContact NZ-OD2 3.63Å; K352-D361 PolarHBondContact NZ-OD2 2.92Å; D361-N363 VanDerWaalsContact C-N 3.32Å; D361-N363 PolarHBondContact O-N 3.13Å
362	L	68.9	Low	61.9	Low	66 Å²	66	92.5 Å²	92.5	35%	0.346	45%	0.449	S	S	.	.			trans	-75.1	80.5	173.4	-61.6	176.5	0	0	0	110	K351 E353 P364	K351-L362 VanDerWaalsContact O-CB 3.28Å; K351-L362 WeakPolarHBondContact O-CB 3.29Å; K351-L362 WeakPolarHBondContact O-CG 3.25Å; K351-L362 PolarHBondContact O-N 3.24Å; E353-L362 HydrophobicContact CB-CD2 4.27Å; E353-L362 HydrophobicContact CG-CD1 4.02Å; E353-L362 HydrophobicContact CG-CD2 4.12Å; E353-L362 HydrophobicContact CG-CG 4.3Å; L362-P364 VanDerWaalsContact O-CD 3.3Å; L362-P364 WeakPolarHBondContact O-CD 3.21Å
363	N	56	Low	59.9	Low	96 Å²	96	91.2 Å²	91.2	51%	0.513	45%	0.449	S	S	.	.			trans	-77.9	116.1	-178	-153.1	-5.3	0	0	0	111.4	D361 Q365 K366	D361-N363 VanDerWaalsContact C-N 3.32Å; D361-N363 PolarHBondContact O-N 3.13Å; N363-Q365 VanDerWaalsContact C-N 3.27Å; N363-Q365 PolarHBondContact O-N 2.66Å; N363-K366 PolarHBondContact O-N 3.05Å
364	P	48.3	Very low	58.2	Low	82 Å²	82	94.4 Å²	94.4	53%	0.532	47%	0.467	S	S	.	.	H	α-helix	trans	-59.5	-32.1	-173.2	-23.7	33.3	0	0	0	114.3	L362 K366 L367 E368	L362-P364 VanDerWaalsContact O-CD 3.3Å; L362-P364 WeakPolarHBondContact O-CD 3.21Å; P364-K366 PolarHBondContact O-N 3.44Å; P364-L367 PolarHBondContact O-N 3.41Å; P364-E368 PolarHBondContact O-N 3.39Å
365	Q	44.1	Very low	57	Low	144 Å²	144	100.4 Å²	100.4	67%	0.673	50%	0.495	S	S	*	.	H	α-helix	trans	-72.1	-22.9	-176.7	-77.4	176.9	-8.8	0	0	114.3	N363	N363-Q365 VanDerWaalsContact C-N 3.27Å; N363-Q365 PolarHBondContact O-N 2.66Å
366	K	42.6	Very low	56.4	Low	173 Å²	173	99.1 Å²	99.1	75%	0.752	49%	0.488	S	S	*	.	H	α-helix	trans	-81.4	-20.2	171.9	-97.2	-176.4	175.4	-178.1	0	112.6	N363 P364	N363-K366 PolarHBondContact O-N 3.05Å; P364-K366 PolarHBondContact O-N 3.44Å
367	L	40.3	Very low	55.9	Low	78 Å²	78	94.8 Å²	94.8	41%	0.408	47%	0.469	S	S	.	.	H	α-helix	trans	-85.9	-34.4	173.4	-89.4	95.4	0	0	0	112.7	P364 I369 N370 Q371	P364-L367 PolarHBondContact O-N 3.41Å; L367-I369 PolarHBondContact O-N 2.89Å; L367-N370 PolarHBondContact O-N 2.82Å; L367-Q371 WeakPolarHBondContact O-CG 3.33Å; L367-Q371 PolarHBondContact O-N 3.39Å
368	E	36.9	Very low	55.5	Low	118 Å²	118	95.9 Å²	95.9	55%	0.551	48%	0.476	S	S	*	.	H	α-helix	trans	-71.7	-28.3	-174.5	-79.1	-174	159.5	0	0	115.3	P364 N370 Q371	P364-E368 PolarHBondContact O-N 3.39Å; E368-N370 PolarHBondContact O-N 3.29Å; E368-Q371 PolarHBondContact O-N 2.99Å
369	I	39.6	Very low	55.3	Low	146 Å²	146	92.5 Å²	92.5	75%	0.749	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-27.2	176.3	-64.8	170.8	0	0	0	111.3	L367	L367-I369 PolarHBondContact O-N 2.89Å
370	N	37.7	Very low	54.3	Low	99 Å²	99	90.4 Å²	90.4	53%	0.529	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.4	175.9	-72.9	-35.5	0	0	0	113.2	L367 E368 F398	L367-N370 PolarHBondContact O-N 2.82Å; E368-N370 PolarHBondContact O-N 3.29Å; N370-F398 WeakPolarHBondContact O-CD2 3.5Å; N370-F398 WeakPolarHBondContact O-CE2 3.28Å
371	Q	41	Very low	53.7	Low	59 Å²	59	88.7 Å²	88.7	28%	0.276	44%	0.439	S	S	.	.	S	Bend	trans	-98.2	-4.8	-168.7	-75	174.7	6.6	0	0	115.5	L367 E368 F398	L367-Q371 WeakPolarHBondContact O-CG 3.33Å; L367-Q371 PolarHBondContact O-N 3.39Å; E368-Q371 PolarHBondContact O-N 2.99Å; Q371-F398 HydrophobicContact CB-CB 4.04Å; Q371-F398 HydrophobicContact CG-CB 3.98Å; Q371-F398 HydrophobicContact CG-CD1 4.31Å; Q371-F398 HydrophobicContact CG-CG 4.3Å
372	R	38.1	Very low	53.5	Low	232 Å²	232	85.3 Å²	85.3	88%	0.875	42%	0.423	S	S	*	.	S	Bend	trans	-113.8	8.2	-173.6	-82.8	-171.8	179.6	-165.4	2.2	116.4
373	S	41.3	Very low	53.7	Low	41 Å²	41	82.7 Å²	82.7	29%	0.287	41%	0.41	S	S	.	.			trans	-113.6	117.6	177.1	-153.7	0	0	0	0	110.7	Q375	S373-Q375 PolarHBondContact O-N 3.17Å; S373-Q375 WeakPolarHBondContact OG-CG 3.28Å; S373-Q375 PolarHBondContact OG-NE2 3Å; S373-Q375 PolarHBondContact OG-OE1 3.44Å
374	N	51.2	Low	54.4	Low	106 Å²	106	80.4 Å²	80.4	57%	0.567	39%	0.394	S	S	*	.			trans	-66.2	46.4	162	-79.8	-20.9	0	0	0	110.4	R395	N374-R395 PolarHBondContact O-NE 3.35Å
375	Q	59.8	Low	55.2	Low	128 Å²	128	80.8 Å²	80.8	60%	0.598	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-85.9	138.7	-175.7	-98.5	163	16.4	0	0	109.6	S373 R396	S373-Q375 PolarHBondContact O-N 3.17Å; S373-Q375 WeakPolarHBondContact OG-CG 3.28Å; S373-Q375 PolarHBondContact OG-NE2 3Å; S373-Q375 PolarHBondContact OG-OE1 3.44Å; Q375-R396 PolarHBondContact O-N 3.1Å
376	Y	65.1	Low	56.3	Low	55 Å²	55	78.4 Å²	78.4	22%	0.216	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-62.1	149.1	161.6	-70	-80.8	0	0	0	110.1	R393 T394 R395 S412 E415	Y376-R393 HydrophobicContact CD1-CG 3.81Å; Y376-R393 HydrophobicContact CG-CG 4.03Å; Y376-T394 WeakPolarHBondContact CA-O 3.47Å; Y376-R395 HydrophobicContact CD1-CB 3.85Å; Y376-R395 HydrophobicContact CD1-CG 4.39Å; Y376-R395 HydrophobicContact CE1-CB 3.7Å; Y376-R395 HydrophobicContact CE1-CG 4.29Å; Y376-S412 PolarHBondContact OH-O 2.77Å; Y376-E415 HydrophobicContact CD1-CG 4.38Å; Y376-E415 HydrophobicContact CE1-CB 4.16Å; Y376-E415 HydrophobicContact CE1-CG 3.62Å; Y376-E415 HydrophobicContact CE2-CG 4.19Å; Y376-E415 WeakPolarHBondContact CE2-OE1 3.06Å; Y376-E415 WeakPolarHBondContact OH-CG 3.35Å; Y376-E415 PolarHBondContact OH-OE1 3.27Å
377	T	62.9	Low	57.8	Low	5 Å²	5	70.2 Å²	70.2	3%	0.031	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-57.3	166.9	162.4	62.6	0	0	0	0	110.7	N67 T394 R396	N67-T377 HydrophobicContact CB-CG2 3.48Å; N67-T377 VanDerWaalsContact CB-CG2 3.48Å; N67-T377 WeakPolarHBondContact ND2-CB 3.29Å; N67-T377 WeakPolarHBondContact ND2-CG2 3.43Å; N67-T377 PolarHBondContact ND2-OG1 3.46Å; N67-T377 VanDerWaalsContact ND2-OG1 3.15Å; T377-T394 WeakPolarHBondContact CB-O 3.39Å; T377-T394 WeakPolarHBondContact CG2-O 3.4Å; T377-T394 PolarHBondContact N-O 3.39Å; T377-T394 PolarHBondContact OG1-N 3.48Å; T377-T394 PolarHBondContact OG1-O 3.09Å; T377-R396 HydrophobicContact CG2-CG 3.75Å
378	S	68.6	Low	59.8	Low	30 Å²	30	68.7 Å²	68.7	21%	0.21	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-54	154.1	158.4	43.1	0	0	0	0	109.9	N67 N71	N67-S378 PolarHBondContact O-OG 3.39Å; N67-S378 VanDerWaalsContact O-OG 3.12Å; N67-S378 PolarHBondContact OD1-O 3.12Å; N71-S378 VanDerWaalsContact OD1-CB 3.26Å; N71-S378 WeakPolarHBondContact OD1-CB 3.46Å; N71-S378 PolarHBondContact OD1-OG 2.89Å
379	W	71.9	Confident	62	Low	62 Å²	62	63 Å²	63	24%	0.235	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.8	142.3	169.9	-70.4	105.1	0	0	0	109.8	R391 Y392 R393 E415 E417	W379-R391 HydrophobicContact CB-CG 4.41Å; W379-R391 HydrophobicContact CD2-CG 4.15Å; W379-R391 HydrophobicContact CE3-CB 4.31Å; W379-R391 HydrophobicContact CE3-CG 3.67Å; W379-R391 HydrophobicContact CG-CG 4.5Å; W379-R391 HydrophobicContact CZ3-CG 4.27Å; W379-Y392 VanDerWaalsContact CE3-C 3.41Å; W379-R393 HydrophobicContact CD2-CB 4.1Å; W379-R393 HydrophobicContact CD2-CG 3.97Å; W379-R393 VanDerWaalsContact CE2-CD 3.44Å; W379-R393 HydrophobicContact CE3-CB 3.88Å; W379-R393 HydrophobicContact CE3-CG 3.8Å; W379-R393 HydrophobicContact CH2-CG 3.88Å; W379-R393 HydrophobicContact CZ2-CG 4.05Å; W379-R393 HydrophobicContact CZ3-CB 4.27Å; W379-R393 HydrophobicContact CZ3-CG 3.77Å; W379-E415 HydrophobicContact CH2-CB 3.86Å; W379-E415 HydrophobicContact CZ3-CB 4.38Å; W379-E415 WeakPolarHBondContact CZ3-O 3.21Å; W379-E417 VanDerWaalsContact CE2-OE2 3.23Å; W379-E417 HydrophobicContact CE3-CB 4.34Å; W379-E417 HydrophobicContact CH2-CB 3.54Å; W379-E417 HydrophobicContact CH2-CG 4.46Å; W379-E417 HydrophobicContact CZ2-CB 4.06Å; W379-E417 VanDerWaalsContact CZ2-OE2 3.28Å; W379-E417 WeakPolarHBondContact CZ2-OE2 3.35Å; W379-E417 HydrophobicContact CZ3-CB 3.68Å
380	S	63.7	Low	64.1	Low	9 Å²	9	56.1 Å²	56.1	6%	0.063	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55.6	160.2	166.2	71.6	0	0	0	0	110.4	R391 Y392	S380-R391 WeakPolarHBondContact OG-CA 3.5Å; S380-R391 WeakPolarHBondContact OG-CB 3.49Å; S380-Y392 WeakPolarHBondContact CB-O 3.32Å; S380-Y392 PolarHBondContact N-O 2.94Å; S380-Y392 PolarHBondContact OG-N 3.18Å; S380-Y392 PolarHBondContact OG-O 3.48Å
381	A	69	Low	66.1	Low	31 Å²	31	54.9 Å²	54.9	26%	0.256	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-52.3	150.2	164.7	0	0	0	0	0	110.2	W79 S383	W79-A381 HydrophobicContact CH2-CB 4.17Å; W79-A381 HydrophobicContact CZ2-CB 4.39Å; A381-S383 PolarHBondContact O-N 3.48Å
382	C	77.6	Confident	67.9	Low	31 Å²	31	52.6 Å²	52.6	21%	0.209	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-67.6	131.8	175.9	-168.5	0	0	0	0	109.5	R384 C419 G420	C382-R384 PolarHBondContact O-N 3.34Å; C382-R384 PolarHBondContact SG-O 3.25Å; C382-C419 WeakPolarHBondContact CA-SG 3.47Å; C382-C419 HydrophobicContact CB-CB 3.89Å; C382-C419 WeakPolarHBondContact CB-SG 3.28Å; C382-C419 WeakPolarHBondContact SG-CB 3.14Å; C382-C419 CovalentContact SG-SG 2.03Å; C382-C419 PolarHBondContact SG-SG 3.14Å; C382-G420 PolarHBondContact SG-N 3.02Å; C382-G420 VanDerWaalsContact SG-N 3.44Å
383	S	71.9	Confident	69.5	Low	11 Å²	11	44.7 Å²	44.7	8%	0.077	23%	0.228	C	C	.	.	S	Bend	trans	-63.2	-15	-178.3	65.4	0	0	0	0	114.1	A381 T390 S485	A381-S383 PolarHBondContact O-N 3.48Å; S383-T390 VanDerWaalsContact CB-O 3.31Å; S383-T390 WeakPolarHBondContact CB-O 3.49Å; S383-T390 PolarHBondContact N-O 3.13Å; S383-T390 PolarHBondContact OG-N 3.08Å; S383-T390 PolarHBondContact OG-O 2.92Å; S383-T390 PolarHBondContact OG-OG1 3.47Å; S383-T390 VanDerWaalsContact OG-OG1 3.09Å; S383-S485 WeakPolarHBondContact OG-CB 3.43Å
384	R	70.7	Confident	70.4	Confident	49 Å²	49	42.8 Å²	42.8	19%	0.185	22%	0.215	C	C	.	.			trans	-135.9	140.3	176.2	-67.5	-180	60.2	-167.1	6	111	C382 N386 I388 E426 S485	C382-R384 PolarHBondContact O-N 3.34Å; C382-R384 PolarHBondContact SG-O 3.25Å; R384-N386 WeakPolarHBondContact CB-O 3.18Å; R384-N386 PolarHBondContact NE-O 3.49Å; R384-N386 PolarHBondContact NH2-O 2.98Å; R384-I388 WeakPolarHBondContact CD-O 3.5Å; R384-I388 PolarHBondContact NH1-O 2.81Å; R384-I388 VanDerWaalsContact NH1-O 3.07Å; R384-E426 IonicContact CZ-OE2 3.46Å; R384-E426 IonicContact NH2-OE1 2.84Å; R384-E426 PolarHBondContact NH2-OE1 3.46Å; R384-E426 IonicContact NH2-OE2 2.72Å; R384-E426 PolarHBondContact NH2-OE2 3.02Å; R384-S485 WeakPolarHBondContact CD-OG 3.43Å
385	T	65	Low	71	Confident	89 Å²	89	38.9 Å²	38.9	55%	0.546	19%	0.192	S	C	.	.	S	Bend	trans	-80.7	-31.1	171.2	49.4	0	0	0	0	112.2	Q76	Q76-T385 VanDerWaalsContact OE1-CG2 3.28Å
386	N	66.7	Low	70.8	Confident	95 Å²	95	35 Å²	35	51%	0.508	17%	0.172	S	C	.	.	S	Bend	trans	-125.2	141.4	178.8	-63.9	-21.5	0	0	0	110.9	R384	R384-N386 WeakPolarHBondContact CB-O 3.18Å; R384-N386 PolarHBondContact NE-O 3.49Å; R384-N386 PolarHBondContact NH2-O 2.98Å
387	G	75.3	Confident	70.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	78.9	-163.6	-178.3	0	0	0	0	0	113.8	G389 K421 E426	G387-G389 PolarHBondContact O-N 3.16Å; G387-K421 PolarHBondContact N-O 3.12Å; G387-E426 WeakPolarHBondContact CA-OE2 3.24Å
388	I	82.3	Confident	69.4	Low	46 Å²	46	36.8 Å²	36.8	24%	0.236	18%	0.183	C	C	.	.	S	Bend	trans	-79.1	107.8	177.5	-52.4	179	0	0	0	109.4	R384 L418 N422	R384-I388 WeakPolarHBondContact CD-O 3.5Å; R384-I388 PolarHBondContact NH1-O 2.81Å; R384-I388 VanDerWaalsContact NH1-O 3.07Å; I388-L418 HydrophobicContact CG2-CB 4.46Å; I388-L418 HydrophobicContact CG2-CD1 4.11Å; I388-L418 HydrophobicContact CG2-CD2 4.17Å; I388-L418 HydrophobicContact CG2-CG 4.49Å; I388-N422 WeakPolarHBondContact CG1-OD1 3.42Å
389	G	82.3	Confident	68.5	Low	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-179.5	168.3	0	0	0	0	0	112.4	G387 L418 C419	G387-G389 PolarHBondContact O-N 3.16Å; G389-L418 WeakPolarHBondContact O-CA 3.49Å; G389-C419 CarbonylContact C-O 3.58Å; G389-C419 WeakPolarHBondContact CA-O 3.41Å; G389-C419 PolarHBondContact N-O 3.29Å; G389-C419 PolarHBondContact O-N 3.16Å
390	T	83.8	Confident	67.3	Low	1 Å²	1	46.6 Å²	46.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.6	177.3	51.5	0	0	0	0	109.9	S383 E417 L418 C419 S485 R496 I498 F505	S383-T390 VanDerWaalsContact CB-O 3.31Å; S383-T390 WeakPolarHBondContact CB-O 3.49Å; S383-T390 PolarHBondContact N-O 3.13Å; S383-T390 PolarHBondContact OG-N 3.08Å; S383-T390 PolarHBondContact OG-O 2.92Å; S383-T390 PolarHBondContact OG-OG1 3.47Å; S383-T390 VanDerWaalsContact OG-OG1 3.09Å; T390-E417 CarbonylContact C-O 3.44Å; T390-E417 WeakPolarHBondContact CA-O 3.47Å; T390-L418 HydrophobicContact CG2-CD2 3.88Å; T390-C419 PolarHBondContact N-SG 3.42Å; T390-C419 VanDerWaalsContact N-SG 3.39Å; T390-C419 PolarHBondContact O-SG 3.43Å; T390-S485 PolarHBondContact OG1-N 3.01Å; T390-S485 VanDerWaalsContact OG1-N 3.12Å; T390-R496 HydrophobicContact CG2-CB 4.16Å; T390-I498 HydrophobicContact CG2-CD1 3.69Å; T390-I498 HydrophobicContact CG2-CG1 3.86Å; T390-F505 HydrophobicContact CG2-CE2 4.37Å
391	R	81	Confident	66.4	Low	72 Å²	72	53.1 Å²	53.1	27%	0.272	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.2	172.5	61.2	-175.2	-170.4	-170.9	-6.8	110	W379 S380 E417 C419	W379-R391 HydrophobicContact CB-CG 4.41Å; W379-R391 HydrophobicContact CD2-CG 4.15Å; W379-R391 HydrophobicContact CE3-CB 4.31Å; W379-R391 HydrophobicContact CE3-CG 3.67Å; W379-R391 HydrophobicContact CG-CG 4.5Å; W379-R391 HydrophobicContact CZ3-CG 4.27Å; S380-R391 WeakPolarHBondContact OG-CA 3.5Å; S380-R391 WeakPolarHBondContact OG-CB 3.49Å; R391-E417 HydrophobicContact CG-CB 4.08Å; R391-E417 IonicContact CZ-OE2 2.97Å; R391-E417 PolarHBondContact N-O 2.81Å; R391-E417 IonicContact NE-OE2 3.16Å; R391-E417 PolarHBondContact NE-OE2 2.68Å; R391-E417 IonicContact NH2-OE1 3.37Å; R391-E417 PolarHBondContact NH2-OE1 3.02Å; R391-E417 VanDerWaalsContact NH2-OE1 3.16Å; R391-E417 IonicContact NH2-OE2 3.73Å; R391-E417 PolarHBondContact NH2-OE2 2.79Å; R391-E417 PolarHBondContact O-N 3.42Å; R391-C419 HydrophobicContact CG-CB 4.06Å
392	Y	76.9	Confident	65.2	Low	12 Å²	12	57.3 Å²	57.3	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.8	177.3	70.7	-86.3	0	0	0	110.8	F277 W379 S380 F414 E415 I498 Q499	F277-Y392 AromaticContact CE1-CE1 3.99Å; F277-Y392 HydrophobicContact CE1-CE1 3.99Å; F277-Y392 HydrophobicContact CE2-CE1 4.39Å; F277-Y392 AromaticContact CZ-CE1 3.8Å; F277-Y392 HydrophobicContact CZ-CE1 3.8Å; F277-Y392 AromaticContact CZ-CZ 3.97Å; F277-Y392 VanDerWaalsContact CZ-OH 3.22Å; F277-Y392 WeakPolarHBondContact CZ-OH 3.46Å; W379-Y392 VanDerWaalsContact CE3-C 3.41Å; S380-Y392 WeakPolarHBondContact CB-O 3.32Å; S380-Y392 PolarHBondContact N-O 2.94Å; S380-Y392 PolarHBondContact OG-N 3.18Å; S380-Y392 PolarHBondContact OG-O 3.48Å; Y392-F414 HydrophobicContact CD2-CD1 4.45Å; Y392-E415 CarbonylContact C-O 3.58Å; Y392-E415 WeakPolarHBondContact CA-O 3.5Å; Y392-E415 WeakPolarHBondContact CB-O 3.3Å; Y392-I498 HydrophobicContact CD1-CG2 4.22Å; Y392-Q499 HydrophobicContact CD1-CG 4.14Å; Y392-Q499 HydrophobicContact CE1-CG 3.94Å; Y392-Q499 PolarHBondContact OH-NE2 2.77Å; Y392-Q499 VanDerWaalsContact OH-NE2 3.09Å
393	R	71.9	Confident	63.5	Low	66 Å²	66	63 Å²	63	25%	0.249	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.5	167.5	62.9	-175.6	-173.9	176.7	-1.3	109.2	Y376 W379 F414 E415	Y376-R393 HydrophobicContact CD1-CG 3.81Å; Y376-R393 HydrophobicContact CG-CG 4.03Å; W379-R393 HydrophobicContact CD2-CB 4.1Å; W379-R393 HydrophobicContact CD2-CG 3.97Å; W379-R393 VanDerWaalsContact CE2-CD 3.44Å; W379-R393 HydrophobicContact CE3-CB 3.88Å; W379-R393 HydrophobicContact CE3-CG 3.8Å; W379-R393 HydrophobicContact CH2-CG 3.88Å; W379-R393 HydrophobicContact CZ2-CG 4.05Å; W379-R393 HydrophobicContact CZ3-CB 4.27Å; W379-R393 HydrophobicContact CZ3-CG 3.77Å; R393-F414 WeakPolarHBondContact O-CA 3.44Å; R393-E415 HydrophobicContact CG-CB 3.84Å; R393-E415 IonicContact CZ-OE2 3.09Å; R393-E415 PolarHBondContact N-O 2.71Å; R393-E415 IonicContact NE-OE2 2.63Å; R393-E415 PolarHBondContact NE-OE2 2.9Å; R393-E415 IonicContact NH2-OE1 2.74Å; R393-E415 IonicContact NH2-OE2 2.66Å; R393-E415 PolarHBondContact NH2-OE2 2.92Å; R393-E415 PolarHBondContact O-N 3.34Å
394	T	59.9	Low	62.3	Low	0 Å²	0	68 Å²	68	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.3	-179	-47.5	0	0	0	0	109.7	S63 Y376 T377 M413 F414	S63-T394 VanDerWaalsContact CB-CG2 3.49Å; S63-T394 WeakPolarHBondContact OG-CB 3.26Å; S63-T394 PolarHBondContact OG-OG1 2.99Å; Y376-T394 WeakPolarHBondContact CA-O 3.47Å; T377-T394 WeakPolarHBondContact CB-O 3.39Å; T377-T394 WeakPolarHBondContact CG2-O 3.4Å; T377-T394 PolarHBondContact N-O 3.39Å; T377-T394 PolarHBondContact OG1-N 3.48Å; T377-T394 PolarHBondContact OG1-O 3.09Å; T394-M413 CarbonylContact C-O 3.58Å; T394-M413 WeakPolarHBondContact CA-O 3.46Å; T394-M413 HydrophobicContact CG2-CG 4Å; T394-M413 HydrophobicContact CG2-SD 4.45Å; T394-F414 HydrophobicContact CG2-CD1 4.04Å; T394-F414 HydrophobicContact CG2-CE1 3.74Å; T394-F414 HydrophobicContact CG2-CZ 4.24Å; T394-F414 WeakPolarHBondContact OG1-CD1 3.43Å; T394-F414 WeakPolarHBondContact OG1-CE1 3.49Å
395	R	65	Low	61.2	Low	25 Å²	25	67.2 Å²	67.2	9%	0.094	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-77.4	133.3	174.4	-161.4	170.2	-178.5	-166.8	2.9	110.8	N374 Y376 E411 M413	N374-R395 PolarHBondContact O-NE 3.35Å; Y376-R395 HydrophobicContact CD1-CB 3.85Å; Y376-R395 HydrophobicContact CD1-CG 4.39Å; Y376-R395 HydrophobicContact CE1-CB 3.7Å; Y376-R395 HydrophobicContact CE1-CG 4.29Å; R395-E411 IonicContact CZ-OE2 3.87Å; R395-E411 IonicContact NH1-OE2 3.33Å; R395-E411 PolarHBondContact NH1-OE2 2.7Å; R395-E411 IonicContact NH2-OE2 3.9Å; R395-E411 PolarHBondContact NH2-OE2 3.46Å; R395-E411 VanDerWaalsContact NH2-OE2 3.16Å; R395-M413 PolarHBondContact N-O 2.92Å
396	R	55.1	Low	60.4	Low	45 Å²	45	71.3 Å²	71.3	17%	0.17	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-86.2	121.9	175.2	-58.2	-160.4	169.6	149.1	1.4	110.6	Q64 N67 Q375 T377 F398	Q64-R396 HydrophobicContact CB-CB 4.34Å; Q64-R396 HydrophobicContact CB-CG 3.76Å; Q64-R396 HydrophobicContact CG-CB 3.78Å; Q64-R396 HydrophobicContact CG-CG 3.56Å; Q64-R396 VanDerWaalsContact NE2-CA 3.33Å; Q64-R396 PolarHBondContact O-NE 3.39Å; Q64-R396 PolarHBondContact O-NH2 2.99Å; N67-R396 VanDerWaalsContact C-NH2 3.34Å; Q375-R396 PolarHBondContact O-N 3.1Å; T377-R396 HydrophobicContact CG2-CG 3.75Å; R396-F398 HydrophobicContact CB-CD2 4.06Å; R396-F398 HydrophobicContact CB-CE2 3.55Å; R396-F398 HydrophobicContact CB-CZ 4.28Å; R396-F398 HydrophobicContact CG-CE2 4.19Å
397	C	51.2	Low	59.7	Low	20 Å²	20	68.9 Å²	68.9	14%	0.135	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-100.9	123	158.9	-46.7	0	0	0	0	111.2	K60 Q64 C405 F407	K60-C397 WeakPolarHBondContact CE-SG 3.49Å; Q64-C397 PolarHBondContact NE2-O 2.91Å; Q64-C397 PolarHBondContact OE1-O 3.48Å; C397-C405 HydrophobicContact CB-CB 3.81Å; C397-C405 WeakPolarHBondContact CB-SG 3.33Å; C397-C405 WeakPolarHBondContact SG-CB 3.44Å; C397-C405 CovalentContact SG-SG 2.01Å; C397-C405 PolarHBondContact SG-SG 3.4Å; C397-F407 WeakPolarHBondContact SG-CZ 3.41Å
398	F	47.6	Very low	58.5	Low	78 Å²	78	74.8 Å²	74.8	34%	0.342	35%	0.351	S	S	.	.			trans	-113.6	90.7	170.4	-67.2	-82.6	0	0	0	108.7	Q64 N370 Q371 R396	Q64-F398 HydrophobicContact CB-CZ 4.46Å; Q64-F398 VanDerWaalsContact OE1-CE1 3.23Å; Q64-F398 VanDerWaalsContact OE1-CE2 3.31Å; N370-F398 WeakPolarHBondContact O-CD2 3.5Å; N370-F398 WeakPolarHBondContact O-CE2 3.28Å; Q371-F398 HydrophobicContact CB-CB 4.04Å; Q371-F398 HydrophobicContact CG-CB 3.98Å; Q371-F398 HydrophobicContact CG-CD1 4.31Å; Q371-F398 HydrophobicContact CG-CG 4.3Å; R396-F398 HydrophobicContact CB-CD2 4.06Å; R396-F398 HydrophobicContact CB-CE2 3.55Å; R396-F398 HydrophobicContact CB-CZ 4.28Å; R396-F398 HydrophobicContact CG-CE2 4.19Å
399	N	50.3	Low	56.8	Low	91 Å²	91	80.7 Å²	80.7	49%	0.487	38%	0.383	S	S	.	.			trans	-127.5	113.1	169	-155.5	-12	0	0	0	109.9	N401	N399-N401 VanDerWaalsContact C-N 3.26Å; N399-N401 PolarHBondContact O-N 2.72Å
400	R	45.9	Very low	55.2	Low	208 Å²	208	88.4 Å²	88.4	79%	0.785	42%	0.424	S	S	*	.	S	Bend	trans	-74.5	-16.2	-174.8	-148	177.8	-169.1	-174.7	2.2	112.7
401	N	44.8	Very low	53.8	Low	146 Å²	146	92.3 Å²	92.3	78%	0.781	44%	0.442	S	S	*	.	S	Bend	trans	-125.9	-0.8	-165.8	-68.4	-10.6	0	0	0	115	N399	N399-N401 VanDerWaalsContact C-N 3.26Å; N399-N401 PolarHBondContact O-N 2.72Å
402	Q	43.6	Very low	52.8	Low	118 Å²	118	92.2 Å²	92.2	55%	0.551	45%	0.452	S	S	*	.			trans	-143.8	119.6	177.2	-69.2	-178.6	-15.4	0	0	110	K404	Q402-K404 PolarHBondContact O-N 2.87Å
403	N	43.1	Very low	52.2	Low	150 Å²	150	93.2 Å²	93.2	80%	0.802	46%	0.458	S	S	*	.	S	Bend	trans	-69.1	30.8	173	-74.7	-11.4	0	0	0	113	T57	T57-N403 WeakPolarHBondContact CG2-O 3.44Å
404	K	45.3	Very low	52.2	Low	117 Å²	117	91.8 Å²	91.8	51%	0.509	45%	0.453	S	S	.	.			trans	-142.9	119.6	173.8	-77.4	-168.3	171.5	-167.4	0	107.9	E53 Q402 E406	E53-K404 IonicContact OE2-NZ 2.79Å; E53-K404 PolarHBondContact OE2-NZ 2.96Å; Q402-K404 PolarHBondContact O-N 2.87Å; K404-E406 PolarHBondContact O-N 3.04Å
405	C	48.3	Very low	53.3	Low	32 Å²	32	94.4 Å²	94.4	22%	0.216	47%	0.466	C	S	.	.			trans	-80.5	110.6	153	-18.2	0	0	0	0	106.2	K60 C397 F407	K60-C405 WeakPolarHBondContact CD-SG 3.31Å; K60-C405 WeakPolarHBondContact CE-SG 2.99Å; K60-C405 PolarHBondContact NZ-O 2.78Å; K60-C405 PolarHBondContact NZ-SG 2.86Å; C397-C405 HydrophobicContact CB-CB 3.81Å; C397-C405 WeakPolarHBondContact CB-SG 3.33Å; C397-C405 WeakPolarHBondContact SG-CB 3.44Å; C397-C405 CovalentContact SG-SG 2.01Å; C397-C405 PolarHBondContact SG-SG 3.4Å; C405-F407 HydrophobicContact CB-CD1 4.28Å; C405-F407 HydrophobicContact CB-CE1 3.9Å; C405-F407 HydrophobicContact CB-CE2 4.46Å; C405-F407 HydrophobicContact CB-CZ 4Å; C405-F407 PolarHBondContact O-N 3.32Å
406	E	47.2	Very low	54.3	Low	176 Å²	176	95.3 Å²	95.3	82%	0.822	47%	0.469	S	S	*	.			trans	-65.4	109.2	163.1	-70.4	178.8	171.3	0	0	107.1	K404	K404-E406 PolarHBondContact O-N 3.04Å
407	F	53.6	Low	55.9	Low	43 Å²	43	96.4 Å²	96.4	19%	0.189	48%	0.476	C	S	.	.			trans	-103.4	143.1	164.4	-62.8	-44.1	0	0	0	106.9	K60 C397 C405 M413	K60-F407 HydrophobicContact CD-CE2 4.44Å; C397-F407 WeakPolarHBondContact SG-CZ 3.41Å; C405-F407 HydrophobicContact CB-CD1 4.28Å; C405-F407 HydrophobicContact CB-CE1 3.9Å; C405-F407 HydrophobicContact CB-CE2 4.46Å; C405-F407 HydrophobicContact CB-CZ 4Å; C405-F407 PolarHBondContact O-N 3.32Å; F407-M413 HydrophobicContact CE2-CB 4.34Å
408	N	48.7	Very low	57.7	Low	125 Å²	125	97.5 Å²	97.5	67%	0.668	48%	0.481	S	S	*	.			trans	-61.6	143.9	164	-65.1	-29.5	0	0	0	108	N410 E411	N408-N410 PolarHBondContact O-N 3.33Å; N408-E411 PolarHBondContact O-N 3.46Å
409	D	46.8	Very low	59.5	Low	170 Å²	170	94.6 Å²	94.6	91%	0.909	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-14.8	-174.9	-66.9	-35.7	0	0	0	115
410	N	50	Low	60.6	Low	161 Å²	161	92.5 Å²	92.5	86%	0.861	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.9	-179.8	-69.9	-18.4	0	0	0	115.3	N408	N408-N410 PolarHBondContact O-N 3.33Å
411	E	54.1	Low	61.4	Low	84 Å²	84	90.7 Å²	90.7	39%	0.393	47%	0.468	S	S	.	.			trans	-106.7	115.8	-177.3	-66.6	-174.6	165.6	0	0	112.1	R395 N408	R395-E411 IonicContact CZ-OE2 3.87Å; R395-E411 IonicContact NH1-OE2 3.33Å; R395-E411 PolarHBondContact NH1-OE2 2.7Å; R395-E411 IonicContact NH2-OE2 3.9Å; R395-E411 PolarHBondContact NH2-OE2 3.46Å; R395-E411 VanDerWaalsContact NH2-OE2 3.16Å; N408-E411 PolarHBondContact O-N 3.46Å
412	S	60.2	Low	61.9	Low	70 Å²	70	87.8 Å²	87.8	49%	0.49	45%	0.452	S	S	.	.			trans	-80.1	142.1	179.5	59	0	0	0	0	112.5	Y376 F414	Y376-S412 PolarHBondContact OH-O 2.77Å; S412-F414 WeakPolarHBondContact CB-O 3.39Å; S412-F414 PolarHBondContact O-N 2.89Å; S412-F414 PolarHBondContact OG-O 2.81Å
413	M	64.6	Low	62.2	Low	32 Å²	32	85.3 Å²	85.3	16%	0.158	45%	0.445	C	S	.	.	S	Bend	trans	-64.2	-27.9	174.6	-171.7	-170.8	-53	0	0	112.2	K60 T394 R395 F407	K60-M413 HydrophobicContact CB-CE 4.34Å; K60-M413 HydrophobicContact CB-SD 4.31Å; K60-M413 HydrophobicContact CD-CE 3.49Å; K60-M413 VanDerWaalsContact CD-CE 3.49Å; K60-M413 HydrophobicContact CD-SD 4.2Å; K60-M413 HydrophobicContact CG-CE 3.7Å; K60-M413 HydrophobicContact CG-CG 4.28Å; K60-M413 HydrophobicContact CG-SD 3.72Å; T394-M413 CarbonylContact C-O 3.58Å; T394-M413 WeakPolarHBondContact CA-O 3.46Å; T394-M413 HydrophobicContact CG2-CG 4Å; T394-M413 HydrophobicContact CG2-SD 4.45Å; R395-M413 PolarHBondContact N-O 2.92Å; F407-M413 HydrophobicContact CE2-CB 4.34Å
414	F	71.5	Confident	62.2	Low	36 Å²	36	84.2 Å²	84.2	16%	0.158	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.7	-178.8	-60.5	-86.1	0	0	0	109.6	Y392 R393 T394 S412 Y416	Y392-F414 HydrophobicContact CD2-CD1 4.45Å; R393-F414 WeakPolarHBondContact O-CA 3.44Å; T394-F414 HydrophobicContact CG2-CD1 4.04Å; T394-F414 HydrophobicContact CG2-CE1 3.74Å; T394-F414 HydrophobicContact CG2-CZ 4.24Å; T394-F414 WeakPolarHBondContact OG1-CD1 3.43Å; T394-F414 WeakPolarHBondContact OG1-CE1 3.49Å; S412-F414 WeakPolarHBondContact CB-O 3.39Å; S412-F414 PolarHBondContact O-N 2.89Å; S412-F414 PolarHBondContact OG-O 2.81Å; F414-Y416 HydrophobicContact CB-CE1 4.28Å; F414-Y416 HydrophobicContact CB-CE2 3.77Å; F414-Y416 WeakPolarHBondContact CB-OH 3.42Å
415	E	82.8	Confident	62	Low	56 Å²	56	86.3 Å²	86.3	26%	0.262	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.1	160.8	-78.2	-178.6	-175.5	0	0	109.1	Y376 W379 Y392 R393	Y376-E415 HydrophobicContact CD1-CG 4.38Å; Y376-E415 HydrophobicContact CE1-CB 4.16Å; Y376-E415 HydrophobicContact CE1-CG 3.62Å; Y376-E415 HydrophobicContact CE2-CG 4.19Å; Y376-E415 WeakPolarHBondContact CE2-OE1 3.06Å; Y376-E415 WeakPolarHBondContact OH-CG 3.35Å; Y376-E415 PolarHBondContact OH-OE1 3.27Å; W379-E415 HydrophobicContact CH2-CB 3.86Å; W379-E415 HydrophobicContact CZ3-CB 4.38Å; W379-E415 WeakPolarHBondContact CZ3-O 3.21Å; Y392-E415 CarbonylContact C-O 3.58Å; Y392-E415 WeakPolarHBondContact CA-O 3.5Å; Y392-E415 WeakPolarHBondContact CB-O 3.3Å; R393-E415 HydrophobicContact CG-CB 3.84Å; R393-E415 IonicContact CZ-OE2 3.09Å; R393-E415 PolarHBondContact N-O 2.71Å; R393-E415 IonicContact NE-OE2 2.63Å; R393-E415 PolarHBondContact NE-OE2 2.9Å; R393-E415 IonicContact NH2-OE1 2.74Å; R393-E415 IonicContact NH2-OE2 2.66Å; R393-E415 PolarHBondContact NH2-OE2 2.92Å; R393-E415 PolarHBondContact O-N 3.34Å
416	Y	85.5	Confident	61.7	Low	43 Å²	43	88.3 Å²	88.3	17%	0.169	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147	-177.9	-57.4	-76.4	0	0	0	108.6	F414 I498 I503 V511	F414-Y416 HydrophobicContact CB-CE1 4.28Å; F414-Y416 HydrophobicContact CB-CE2 3.77Å; F414-Y416 WeakPolarHBondContact CB-OH 3.42Å; Y416-I498 HydrophobicContact CD1-CB 4.05Å; Y416-I498 HydrophobicContact CD1-CD1 3.73Å; Y416-I498 HydrophobicContact CD1-CG1 4.48Å; Y416-I498 HydrophobicContact CD1-CG2 3.75Å; Y416-I498 HydrophobicContact CE1-CB 4.16Å; Y416-I498 HydrophobicContact CE1-CG2 3.84Å; Y416-I498 HydrophobicContact CG-CD1 4.13Å; Y416-I503 HydrophobicContact CD1-CD1 4.47Å; Y416-I503 HydrophobicContact CD1-CG1 4.18Å; Y416-I503 HydrophobicContact CD2-CD1 3.85Å; Y416-I503 HydrophobicContact CD2-CG1 4.14Å; Y416-I503 HydrophobicContact CD2-CG2 4.17Å; Y416-I503 HydrophobicContact CE1-CD1 4.25Å; Y416-I503 HydrophobicContact CE1-CG1 4.32Å; Y416-I503 HydrophobicContact CE2-CD1 3.59Å; Y416-I503 HydrophobicContact CE2-CG1 4.28Å; Y416-I503 HydrophobicContact CG-CD1 4.28Å; Y416-I503 HydrophobicContact CG-CG1 4.08Å; Y416-I503 HydrophobicContact CG-CG2 4.22Å; Y416-V511 WeakPolarHBondContact O-CG2 2.95Å
417	E	88.7	Confident	61.5	Low	68 Å²	68	84.1 Å²	84.1	32%	0.318	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.8	178.7	-161.6	-169.8	173.4	0	0	109.9	W379 T390 R391	W379-E417 VanDerWaalsContact CE2-OE2 3.23Å; W379-E417 HydrophobicContact CE3-CB 4.34Å; W379-E417 HydrophobicContact CH2-CB 3.54Å; W379-E417 HydrophobicContact CH2-CG 4.46Å; W379-E417 HydrophobicContact CZ2-CB 4.06Å; W379-E417 VanDerWaalsContact CZ2-OE2 3.28Å; W379-E417 WeakPolarHBondContact CZ2-OE2 3.35Å; W379-E417 HydrophobicContact CZ3-CB 3.68Å; T390-E417 CarbonylContact C-O 3.44Å; T390-E417 WeakPolarHBondContact CA-O 3.47Å; R391-E417 HydrophobicContact CG-CB 4.08Å; R391-E417 IonicContact CZ-OE2 2.97Å; R391-E417 PolarHBondContact N-O 2.81Å; R391-E417 IonicContact NE-OE2 3.16Å; R391-E417 PolarHBondContact NE-OE2 2.68Å; R391-E417 IonicContact NH2-OE1 3.37Å; R391-E417 PolarHBondContact NH2-OE1 3.02Å; R391-E417 VanDerWaalsContact NH2-OE1 3.16Å; R391-E417 IonicContact NH2-OE2 3.73Å; R391-E417 PolarHBondContact NH2-OE2 2.79Å; R391-E417 PolarHBondContact O-N 3.42Å
418	L	89.9	Confident	61	Low	44 Å²	44	88.8 Å²	88.8	23%	0.23	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	148.7	164.9	-59.1	-172.7	0	0	0	110	I388 G389 T390 F505 G509	I388-L418 HydrophobicContact CG2-CB 4.46Å; I388-L418 HydrophobicContact CG2-CD1 4.11Å; I388-L418 HydrophobicContact CG2-CD2 4.17Å; I388-L418 HydrophobicContact CG2-CG 4.49Å; G389-L418 WeakPolarHBondContact O-CA 3.49Å; T390-L418 HydrophobicContact CG2-CD2 3.88Å; L418-F505 HydrophobicContact CD2-CD1 3.94Å; L418-F505 HydrophobicContact CD2-CD2 3.99Å; L418-F505 HydrophobicContact CD2-CE1 3.87Å; L418-F505 HydrophobicContact CD2-CE2 3.93Å; L418-F505 HydrophobicContact CD2-CG 3.99Å; L418-F505 HydrophobicContact CD2-CZ 3.87Å; L418-F505 HydrophobicContact CG-CD1 3.94Å; L418-F505 HydrophobicContact CG-CE1 4.02Å; L418-F505 HydrophobicContact CG-CG 4.33Å; L418-G509 VanDerWaalsContact CD1-CA 3.48Å
419	C	84.4	Confident	61.2	Low	16 Å²	16	90.7 Å²	90.7	11%	0.108	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	177.3	176.6	61	0	0	0	0	110.3	C382 G389 T390 R391	C382-C419 WeakPolarHBondContact CA-SG 3.47Å; C382-C419 HydrophobicContact CB-CB 3.89Å; C382-C419 WeakPolarHBondContact CB-SG 3.28Å; C382-C419 WeakPolarHBondContact SG-CB 3.14Å; C382-C419 CovalentContact SG-SG 2.03Å; C382-C419 PolarHBondContact SG-SG 3.14Å; G389-C419 CarbonylContact C-O 3.58Å; G389-C419 WeakPolarHBondContact CA-O 3.41Å; G389-C419 PolarHBondContact N-O 3.29Å; G389-C419 PolarHBondContact O-N 3.16Å; T390-C419 PolarHBondContact N-SG 3.42Å; T390-C419 VanDerWaalsContact N-SG 3.39Å; T390-C419 PolarHBondContact O-SG 3.43Å; R391-C419 HydrophobicContact CG-CB 4.06Å
420	G	73.9	Confident	61.7	Low	47 Å²	47	84.9 Å²	84.9	49%	0.485	44%	0.438	S	S	.	.	S	Bend	trans	87	167.3	-174.9	0	0	0	0	0	112.4	C382	C382-G420 PolarHBondContact SG-N 3.02Å; C382-G420 VanDerWaalsContact SG-N 3.44Å
421	K	61.4	Low	62.5	Low	171 Å²	171	83 Å²	83	74%	0.743	43%	0.427	S	S	*	.			trans	-111.7	131.4	175.8	-67.3	-179	-179.9	178.3	0	107.7	G387 T423	G387-K421 PolarHBondContact N-O 3.12Å; K421-T423 PolarHBondContact O-N 2.77Å
422	N	57.3	Low	64.1	Low	85 Å²	85	79.6 Å²	79.6	46%	0.455	41%	0.411	S	S	.	.			trans	-62.5	108.8	159.8	-83.8	-8.6	0	0	0	106.6	I388	I388-N422 WeakPolarHBondContact CG1-OD1 3.42Å
423	T	48.7	Very low	65.2	Low	66 Å²	66	78.1 Å²	78.1	41%	0.405	40%	0.396	S	S	.	.			trans	-83.2	125.9	160.5	50.5	0	0	0	0	106.1	K421 E425 E426	K421-T423 PolarHBondContact O-N 2.77Å; T423-E425 PolarHBondContact O-N 2.62Å; T423-E426 PolarHBondContact O-N 3.32Å
424	D	42.4	Very low	66.4	Low	126 Å²	126	76.7 Å²	76.7	67%	0.674	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-17.6	-175.2	-58.6	-37.5	0	0	0	113.2
425	E	41.2	Very low	67.4	Low	161 Å²	161	77.3 Å²	77.3	75%	0.752	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.9	177.6	-62	-169.5	164.8	0	0	115.8	T423 H427 L428	T423-E425 PolarHBondContact O-N 2.62Å; E425-H427 PolarHBondContact O-N 3.29Å; E425-L428 PolarHBondContact O-N 3.37Å
426	E	43.7	Very low	67.5	Low	74 Å²	74	80.1 Å²	80.1	35%	0.346	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-76.9	-23.5	-174.5	-153.7	176	-134.2	0	0	112.6	R384 G387 T423 L428 K429	R384-E426 IonicContact CZ-OE2 3.46Å; R384-E426 IonicContact NH2-OE1 2.84Å; R384-E426 PolarHBondContact NH2-OE1 3.46Å; R384-E426 IonicContact NH2-OE2 2.72Å; R384-E426 PolarHBondContact NH2-OE2 3.02Å; G387-E426 WeakPolarHBondContact CA-OE2 3.24Å; T423-E426 PolarHBondContact O-N 3.32Å; E426-L428 PolarHBondContact O-N 3.41Å; E426-K429 CarbonylContact O-C 3.59Å; E426-K429 PolarHBondContact O-N 2.88Å
427	H	43.2	Very low	67.6	Low	88 Å²	88	78.5 Å²	78.5	41%	0.407	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-63.7	-24.5	175.3	-69.2	-52.8	0	0	0	113	E425	E425-H427 PolarHBondContact O-N 3.29Å
428	L	42.3	Very low	67.6	Low	141 Å²	141	75.3 Å²	75.3	74%	0.738	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-82.8	-11.7	-178.2	-74	153.5	0	0	0	113.7	E425 E426	E425-L428 PolarHBondContact O-N 3.37Å; E426-L428 PolarHBondContact O-N 3.41Å
429	K	51.7	Low	67.6	Low	165 Å²	165	75 Å²	75	72%	0.717	38%	0.383	S	S	*	.	S	Bend	trans	-138.1	74.5	174.4	-69.2	178.8	-176	170.8	0	108.8	E426 I431	E426-K429 CarbonylContact O-C 3.59Å; E426-K429 PolarHBondContact O-N 2.88Å; K429-I431 PolarHBondContact O-N 2.99Å
430	S	58.4	Low	67.4	Low	48 Å²	48	76.5 Å²	76.5	34%	0.336	39%	0.387	S	S	.	.			trans	-67.3	78	176.9	65.6	0	0	0	0	110.9	D432 Y628	S430-D432 PolarHBondContact O-N 3.33Å; S430-Y628 VanDerWaalsContact CB-CD1 3.44Å; S430-Y628 WeakPolarHBondContact OG-CB 3.26Å; S430-Y628 VanDerWaalsContact OG-CD1 3.22Å; S430-Y628 WeakPolarHBondContact OG-CD1 3.44Å
431	I	67	Low	67.7	Low	121 Å²	121	74.4 Å²	74.4	62%	0.621	37%	0.365	S	S	*	.			trans	-72.2	114.2	170.3	-61.7	172.4	0	0	0	106.1	K429 Y433 K436	K429-I431 PolarHBondContact O-N 2.99Å; I431-Y433 PolarHBondContact O-N 3.2Å; I431-Y433 VanDerWaalsContact O-N 3.08Å; I431-K436 HydrophobicContact CG2-CB 4.05Å; I431-K436 HydrophobicContact CG2-CD 4.23Å
432	D	86.6	Confident	68.7	Low	13 Å²	13	68 Å²	68	7%	0.07	34%	0.338	C	S	.	.			trans	-61.7	114.3	169.7	179.1	-14.2	0	0	0	108.6	S430 R434 E435 K436 Y490 A600	S430-D432 PolarHBondContact O-N 3.33Å; D432-R434 PolarHBondContact O-N 3.41Å; D432-R434 WeakPolarHBondContact OD1-CB 3.08Å; D432-R434 PolarHBondContact OD1-N 3.47Å; D432-E435 HydrophobicContact CB-CB 3.61Å; D432-E435 WeakPolarHBondContact O-CB 3.32Å; D432-E435 PolarHBondContact O-N 3.14Å; D432-E435 VanDerWaalsContact O-N 3.12Å; D432-E435 PolarHBondContact OD1-N 3.01Å; D432-K436 PolarHBondContact O-N 2.89Å; D432-Y490 PolarHBondContact OD1-OH 3.46Å; D432-Y490 WeakPolarHBondContact OD2-CE1 3.09Å; D432-Y490 VanDerWaalsContact OD2-CZ 3.23Å; D432-Y490 PolarHBondContact OD2-OH 2.96Å; D432-A600 HydrophobicContact CB-CB 3.77Å
433	Y	84.5	Confident	69.5	Low	40 Å²	40	70.5 Å²	70.5	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-29.6	-175.7	-170	-126.9	0	0	0	112.7	I431 Q437 R483 T486	I431-Y433 PolarHBondContact O-N 3.2Å; I431-Y433 VanDerWaalsContact O-N 3.08Å; Y433-Q437 WeakPolarHBondContact O-CG 3.26Å; Y433-Q437 PolarHBondContact O-N 3.12Å; Y433-Q437 PolarHBondContact O-NE2 2.99Å; Y433-R483 HydrophobicContact CE1-CB 3.49Å; Y433-R483 VanDerWaalsContact CE1-CB 3.49Å; Y433-R483 VanDerWaalsContact OH-CB 3.27Å; Y433-R483 WeakPolarHBondContact OH-CB 3.31Å; Y433-R483 WeakPolarHBondContact OH-CD 3.4Å; Y433-T486 HydrophobicContact CD1-CG2 4.39Å; Y433-T486 WeakPolarHBondContact CD1-OG1 3.38Å; Y433-T486 WeakPolarHBondContact CE1-OG1 3.48Å
434	R	90.3	Very high	70.2	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.008	34%	0.339	C	S	.	.	H	α-helix	trans	-74.6	-38.2	173.7	-168.4	178.8	-71.6	-112	4.3	110.6	D432 K436 Q437 C438 P455 P462 S464 L465 V482 T486 P487 C488	D432-R434 PolarHBondContact O-N 3.41Å; D432-R434 WeakPolarHBondContact OD1-CB 3.08Å; D432-R434 PolarHBondContact OD1-N 3.47Å; R434-K436 VanDerWaalsContact C-N 3.35Å; R434-Q437 WeakPolarHBondContact O-CB 3.35Å; R434-Q437 PolarHBondContact O-N 3.21Å; R434-C438 PolarHBondContact O-N 2.98Å; R434-P455 HydrophobicContact CB-CB 4.34Å; R434-P455 HydrophobicContact CB-CG 4.08Å; R434-P455 HydrophobicContact CG-CB 3.84Å; R434-P455 HydrophobicContact CG-CG 4Å; R434-P462 VanDerWaalsContact CZ-O 3.3Å; R434-P462 PolarHBondContact NH1-O 3.39Å; R434-P462 PolarHBondContact NH2-O 3.21Å; R434-S464 PolarHBondContact NH1-O 3.34Å; R434-L465 HydrophobicContact CG-CD1 4.22Å; R434-V482 HydrophobicContact CG-CG1 4.4Å; R434-T486 HydrophobicContact CB-CG2 3.89Å; R434-T486 HydrophobicContact CG-CG2 4.43Å; R434-P487 PolarHBondContact NH2-O 3.43Å; R434-C488 PolarHBondContact NH2-O 3.16Å
435	E	90.8	Very high	71.6	Confident	49 Å²	49	69.6 Å²	69.6	23%	0.229	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-41.9	173.8	-170.2	179	169.1	0	0	111.3	D432 Q437 C438 S439 L454 P455	D432-E435 HydrophobicContact CB-CB 3.61Å; D432-E435 WeakPolarHBondContact O-CB 3.32Å; D432-E435 PolarHBondContact O-N 3.14Å; D432-E435 VanDerWaalsContact O-N 3.12Å; D432-E435 PolarHBondContact OD1-N 3.01Å; E435-Q437 PolarHBondContact O-N 3.31Å; E435-C438 CarbonylContact O-C 3.43Å; E435-C438 PolarHBondContact O-N 2.95Å; E435-C438 VanDerWaalsContact O-N 3.12Å; E435-S439 WeakPolarHBondContact O-CB 3.29Å; E435-S439 PolarHBondContact O-N 3.38Å; E435-L454 HydrophobicContact CG-CD2 4.34Å; E435-P455 HydrophobicContact CB-CG 3.84Å
436	K	86.7	Confident	72.9	Confident	114 Å²	114	65 Å²	65	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-59.1	-35.9	174.8	-173.4	179.7	-178.9	-179.8	0	112.5	I431 D432 R434 S439	I431-K436 HydrophobicContact CG2-CB 4.05Å; I431-K436 HydrophobicContact CG2-CD 4.23Å; D432-K436 PolarHBondContact O-N 2.89Å; R434-K436 VanDerWaalsContact C-N 3.35Å; K436-S439 WeakPolarHBondContact CA-OG 3.4Å; K436-S439 PolarHBondContact O-OG 2.72Å
437	Q	87.3	Confident	74.2	Confident	10 Å²	10	71.1 Å²	71.1	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-68.4	-45.9	174.6	-71.5	168.3	78.5	0	0	110.8	Y433 R434 E435 S439 R440 L465 V482 R483 T486	Y433-Q437 WeakPolarHBondContact O-CG 3.26Å; Y433-Q437 PolarHBondContact O-N 3.12Å; Y433-Q437 PolarHBondContact O-NE2 2.99Å; R434-Q437 WeakPolarHBondContact O-CB 3.35Å; R434-Q437 PolarHBondContact O-N 3.21Å; E435-Q437 PolarHBondContact O-N 3.31Å; Q437-S439 PolarHBondContact O-N 3.47Å; Q437-R440 WeakPolarHBondContact O-CB 3.24Å; Q437-R440 WeakPolarHBondContact O-CG 3.3Å; Q437-R440 PolarHBondContact O-N 3.32Å; Q437-L465 HydrophobicContact CB-CD1 3.89Å; Q437-L465 HydrophobicContact CB-CD2 4.16Å; Q437-V482 VanDerWaalsContact OE1-CA 3.31Å; Q437-R483 HydrophobicContact CG-CG 4.44Å; Q437-T486 PolarHBondContact NE2-OG1 2.9Å
438	C	89.2	Confident	75.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-36.5	175.7	-73.5	0	0	0	0	113.3	R434 E435 R440 F441 W453 C467	R434-C438 PolarHBondContact O-N 2.98Å; E435-C438 CarbonylContact O-C 3.43Å; E435-C438 PolarHBondContact O-N 2.95Å; E435-C438 VanDerWaalsContact O-N 3.12Å; C438-R440 PolarHBondContact O-N 3.34Å; C438-F441 WeakPolarHBondContact O-CB 3.42Å; C438-F441 VanDerWaalsContact O-CD2 3.25Å; C438-F441 WeakPolarHBondContact O-CD2 3.49Å; C438-F441 PolarHBondContact O-N 3.14Å; C438-W453 HydrophobicContact CB-CB 4.03Å; C438-W453 WeakPolarHBondContact O-CB 3.46Å; C438-C467 WeakPolarHBondContact CA-SG 3.5Å; C438-C467 HydrophobicContact CB-CB 3.85Å; C438-C467 WeakPolarHBondContact CB-SG 3.18Å; C438-C467 WeakPolarHBondContact SG-CB 3.39Å; C438-C467 CovalentContact SG-SG 2.05Å; C438-C467 PolarHBondContact SG-SG 2.74Å
439	S	88.5	Confident	77.6	Confident	37 Å²	37	66.9 Å²	66.9	26%	0.259	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-64.6	-13.6	-177.6	68.3	0	0	0	0	113.7	E435 K436 Q437 F441 D442	E435-S439 WeakPolarHBondContact O-CB 3.29Å; E435-S439 PolarHBondContact O-N 3.38Å; K436-S439 WeakPolarHBondContact CA-OG 3.4Å; K436-S439 PolarHBondContact O-OG 2.72Å; Q437-S439 PolarHBondContact O-N 3.47Å; S439-F441 PolarHBondContact O-N 3.31Å; S439-D442 WeakPolarHBondContact CB-OD2 3.36Å; S439-D442 WeakPolarHBondContact O-CB 3.3Å; S439-D442 PolarHBondContact O-N 3.44Å
440	R	80	Confident	79.2	Confident	48 Å²	48	65.7 Å²	65.7	18%	0.181	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.8	-32.1	170.2	-67	178.5	171.1	-161.6	-10.3	112.1	N168 M194 Q437 C438 D442 R483	N168-R440 PolarHBondContact ND2-NH1 3.13Å; N168-R440 PolarHBondContact OD1-NH1 2.85Å; N168-R440 VanDerWaalsContact OD1-NH1 3.14Å; M194-R440 HydrophobicContact CE-CB 4.49Å; Q437-R440 WeakPolarHBondContact O-CB 3.24Å; Q437-R440 WeakPolarHBondContact O-CG 3.3Å; Q437-R440 PolarHBondContact O-N 3.32Å; C438-R440 PolarHBondContact O-N 3.34Å; R440-D442 PolarHBondContact O-N 2.99Å; R440-R483 VanDerWaalsContact NH2-NH1 3.18Å
441	F	80	Confident	80.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.018	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-76.1	-12	177.5	-55.1	-59.4	0	0	0	112.9	Y164 V165 C438 S439 Q443 F444 W453 L465 C467 L476 A478	Y164-F441 HydrophobicContact CE1-CE1 4.39Å; V165-F441 HydrophobicContact CB-CE1 4.4Å; V165-F441 HydrophobicContact CG2-CD1 4.18Å; V165-F441 HydrophobicContact CG2-CE1 4.15Å; C438-F441 WeakPolarHBondContact O-CB 3.42Å; C438-F441 VanDerWaalsContact O-CD2 3.25Å; C438-F441 WeakPolarHBondContact O-CD2 3.49Å; C438-F441 PolarHBondContact O-N 3.14Å; S439-F441 PolarHBondContact O-N 3.31Å; F441-Q443 PolarHBondContact O-N 3.21Å; F441-F444 PolarHBondContact O-N 2.94Å; F441-W453 HydrophobicContact CB-CB 4.41Å; F441-W453 HydrophobicContact CB-CD2 4.13Å; F441-W453 HydrophobicContact CB-CG 3.72Å; F441-W453 PolarHBondContact O-NE1 3.41Å; F441-L465 HydrophobicContact CE2-CD2 4.17Å; F441-L465 HydrophobicContact CZ-CD2 4.5Å; F441-C467 HydrophobicContact CD2-CB 4.46Å; F441-L476 HydrophobicContact CD1-CD2 4.28Å; F441-L476 HydrophobicContact CD2-CD2 4.04Å; F441-L476 HydrophobicContact CE1-CD2 4.47Å; F441-L476 HydrophobicContact CE2-CD2 4.23Å; F441-L476 HydrophobicContact CG-CD2 4.07Å; F441-L476 HydrophobicContact CZ-CD2 4.44Å; F441-A478 HydrophobicContact CZ-CB 4.28Å
442	D	82.8	Confident	81.5	Confident	35 Å²	35	61.4 Å²	61.4	19%	0.187	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-64.5	-24.4	-179.6	-64.7	-10.8	0	0	0	112.2	S439 R440 F444 Y450 H451 K452 W453	S439-D442 WeakPolarHBondContact CB-OD2 3.36Å; S439-D442 WeakPolarHBondContact O-CB 3.3Å; S439-D442 PolarHBondContact O-N 3.44Å; R440-D442 PolarHBondContact O-N 2.99Å; D442-F444 PolarHBondContact O-N 3.03Å; D442-Y450 WeakPolarHBondContact O-CD1 3.18Å; D442-H451 VanDerWaalsContact CA-O 3.31Å; D442-H451 WeakPolarHBondContact CA-O 3.31Å; D442-K452 WeakPolarHBondContact OD1-CA 3.36Å; D442-K452 VanDerWaalsContact OD2-CD 3.3Å; D442-K452 WeakPolarHBondContact OD2-CD 3.41Å; D442-K452 IonicContact OD2-NZ 3.09Å; D442-K452 PolarHBondContact OD2-NZ 3.28Å; D442-W453 PolarHBondContact OD1-N 3.04Å
443	Q	75.1	Confident	81.7	Confident	138 Å²	138	61.2 Å²	61.2	65%	0.645	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-78	-4.7	-179	-60.3	-176.5	-2.1	0	0	113.2	F441 Y450	F441-Q443 PolarHBondContact O-N 3.21Å; Q443-Y450 WeakPolarHBondContact O-CE1 3.39Å
444	F	63.8	Low	82	Confident	52 Å²	52	59.6 Å²	59.6	23%	0.228	28%	0.28	C	S	.	.	S	Bend	trans	-110.5	141.2	-176	-62.5	-73.2	0	0	0	112.7	L160 Y164 M194 F441 D442	L160-F444 HydrophobicContact CD1-CE1 3.68Å; L160-F444 HydrophobicContact CD1-CZ 3.77Å; L160-F444 HydrophobicContact CD2-CE1 3.77Å; L160-F444 HydrophobicContact CG-CE1 4.07Å; Y164-F444 HydrophobicContact CD1-CE2 4.3Å; Y164-F444 HydrophobicContact CE1-CE2 4.08Å; Y164-F444 HydrophobicContact CE1-CZ 4.47Å; M194-F444 HydrophobicContact CB-CZ 4.12Å; M194-F444 HydrophobicContact CE-CE2 4.37Å; M194-F444 HydrophobicContact CG-CZ 4.4Å; M194-F444 HydrophobicContact SD-CE2 3.41Å; M194-F444 WeakPolarHBondContact SD-CE2 3.44Å; M194-F444 HydrophobicContact SD-CZ 3.3Å; M194-F444 WeakPolarHBondContact SD-CZ 3.49Å; F441-F444 PolarHBondContact O-N 2.94Å; D442-F444 PolarHBondContact O-N 3.03Å
445	K	70.6	Confident	82.2	Confident	122 Å²	122	59.7 Å²	59.7	53%	0.53	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	111.6	168.9	-70.9	-178	173.4	-168.8	0	109.7	G448 I449 Y450	K445-G448 WeakPolarHBondContact CD-O 3.47Å; K445-I449 CarbonylContact C-O 3.52Å; K445-I449 WeakPolarHBondContact CA-O 3.34Å; K445-Y450 HydrophobicContact CD-CE2 4.1Å; K445-Y450 VanDerWaalsContact CE-CZ 3.45Å; K445-Y450 HydrophobicContact CG-CD1 3.92Å; K445-Y450 HydrophobicContact CG-CD2 4.03Å; K445-Y450 HydrophobicContact CG-CE1 3.75Å; K445-Y450 HydrophobicContact CG-CE2 3.88Å; K445-Y450 HydrophobicContact CG-CG 4.05Å
446	L	68.1	Low	82.3	Confident	63 Å²	63	60.1 Å²	60.1	33%	0.33	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.6	165.7	-180	69.9	0	0	0	107.2	G448 I449 H451 W453	L446-G448 PolarHBondContact O-N 2.84Å; L446-G448 VanDerWaalsContact O-N 3.14Å; L446-I449 PolarHBondContact N-O 2.94Å; L446-I449 PolarHBondContact O-N 3.12Å; L446-H451 PolarHBondContact O-NE2 3.41Å; L446-W453 HydrophobicContact CD2-CH2 3.93Å; L446-W453 HydrophobicContact CD2-CZ2 4.01Å
447	R	72.2	Confident	82.5	Confident	203 Å²	203	55.3 Å²	55.3	77%	0.766	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.2	-176	-58.3	179.7	179.2	168.7	2.7	113.8	I449	R447-I449 PolarHBondContact O-N 3.2Å
448	G	74.7	Confident	82.5	Confident	51 Å²	51	58.4 Å²	58.4	53%	0.526	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-4.7	171.9	0	0	0	0	0	116.4	K445 L446	K445-G448 WeakPolarHBondContact CD-O 3.47Å; L446-G448 PolarHBondContact O-N 2.84Å; L446-G448 VanDerWaalsContact O-N 3.14Å
449	I	82	Confident	82.3	Confident	90 Å²	90	62.9 Å²	62.9	46%	0.462	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.6	176.4	63.9	170.8	0	0	0	110.8	K445 L446 R447 H451 Q471	K445-I449 CarbonylContact C-O 3.52Å; K445-I449 WeakPolarHBondContact CA-O 3.34Å; L446-I449 PolarHBondContact N-O 2.94Å; L446-I449 PolarHBondContact O-N 3.12Å; R447-I449 PolarHBondContact O-N 3.2Å; I449-H451 VanDerWaalsContact CG1-NE2 3.33Å; I449-H451 WeakPolarHBondContact CG1-NE2 3.2Å; I449-H451 PolarHBondContact O-CD2 2.95Å; I449-Q471 HydrophobicContact CD1-CB 4.2Å
450	Y	84.1	Confident	82.2	Confident	139 Å²	139	70 Å²	70	55%	0.545	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	142.2	170.5	-68	-78.2	0	0	0	109.8	D442 Q443 K445	D442-Y450 WeakPolarHBondContact O-CD1 3.18Å; Q443-Y450 WeakPolarHBondContact O-CE1 3.39Å; K445-Y450 HydrophobicContact CD-CE2 4.1Å; K445-Y450 VanDerWaalsContact CE-CZ 3.45Å; K445-Y450 HydrophobicContact CG-CD1 3.92Å; K445-Y450 HydrophobicContact CG-CD2 4.03Å; K445-Y450 HydrophobicContact CG-CE1 3.75Å; K445-Y450 HydrophobicContact CG-CE2 3.88Å; K445-Y450 HydrophobicContact CG-CG 4.05Å
451	H	85.3	Confident	82.6	Confident	8 Å²	8	72.5 Å²	72.5	4%	0.037	34%	0.342	C	S	.	.			trans	-113.9	147.7	177.5	-66.3	-106.4	0	0	0	109.5	D442 L446 I449 W453 S469	D442-H451 VanDerWaalsContact CA-O 3.31Å; D442-H451 WeakPolarHBondContact CA-O 3.31Å; L446-H451 PolarHBondContact O-NE2 3.41Å; I449-H451 VanDerWaalsContact CG1-NE2 3.33Å; I449-H451 WeakPolarHBondContact CG1-NE2 3.2Å; I449-H451 PolarHBondContact O-CD2 2.95Å; H451-W453 HydrophobicContact CB-CD2 4.4Å; H451-W453 HydrophobicContact CB-CZ2 3.94Å; H451-S469 PolarHBondContact ND1-OG 3.39Å
452	K	89.8	Confident	83.1	Confident	71 Å²	71	73.6 Å²	73.6	31%	0.309	35%	0.349	S	S	.	.			trans	-98.1	120.2	165	-179.6	65.9	-173	170.7	0	107.3	D442 L470	D442-K452 WeakPolarHBondContact OD1-CA 3.36Å; D442-K452 VanDerWaalsContact OD2-CD 3.3Å; D442-K452 WeakPolarHBondContact OD2-CD 3.41Å; D442-K452 IonicContact OD2-NZ 3.09Å; D442-K452 PolarHBondContact OD2-NZ 3.28Å; K452-L470 HydrophobicContact CB-CB 4.38Å; K452-L470 HydrophobicContact CB-CD1 3.95Å; K452-L470 HydrophobicContact CB-CG 4.33Å; K452-L470 HydrophobicContact CG-CD1 3.73Å; K452-L470 HydrophobicContact CG-CG 4.39Å; K452-L470 PolarHBondContact O-N 2.92Å
453	W	89.6	Confident	83.4	Confident	9 Å²	9	72.2 Å²	72.2	3%	0.034	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.8	-174.6	-64.2	94.3	0	0	0	110.9	C438 F441 D442 L446 H451 C467 Y468 L476	C438-W453 HydrophobicContact CB-CB 4.03Å; C438-W453 WeakPolarHBondContact O-CB 3.46Å; F441-W453 HydrophobicContact CB-CB 4.41Å; F441-W453 HydrophobicContact CB-CD2 4.13Å; F441-W453 HydrophobicContact CB-CG 3.72Å; F441-W453 PolarHBondContact O-NE1 3.41Å; D442-W453 PolarHBondContact OD1-N 3.04Å; L446-W453 HydrophobicContact CD2-CH2 3.93Å; L446-W453 HydrophobicContact CD2-CZ2 4.01Å; H451-W453 HydrophobicContact CB-CD2 4.4Å; H451-W453 HydrophobicContact CB-CZ2 3.94Å; W453-C467 HydrophobicContact CB-CB 4.17Å; W453-C467 HydrophobicContact CD2-CB 4.47Å; W453-C467 HydrophobicContact CE3-CB 3.86Å; W453-Y468 WeakPolarHBondContact CA-O 2.9Å; W453-L476 HydrophobicContact CE3-CB 4.12Å; W453-L476 HydrophobicContact CE3-CD2 4.35Å; W453-L476 HydrophobicContact CH2-CB 3.88Å; W453-L476 HydrophobicContact CH2-CD2 4.02Å; W453-L476 HydrophobicContact CH2-CG 4.45Å; W453-L476 HydrophobicContact CZ2-CD2 4.28Å; W453-L476 HydrophobicContact CZ3-CB 3.45Å; W453-L476 VanDerWaalsContact CZ3-CB 3.45Å; W453-L476 HydrophobicContact CZ3-CD2 4.07Å; W453-L476 HydrophobicContact CZ3-CG 4.38Å
454	L	92.1	Very high	84	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.037	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	155.2	178	-63.4	179.2	0	0	0	111	E435 C467 Y468 L470 Y598	E435-L454 HydrophobicContact CG-CD2 4.34Å; L454-C467 CarbonylContact O-C 3.58Å; L454-C467 VanDerWaalsContact O-CA 3.27Å; L454-C467 WeakPolarHBondContact O-CA 3.36Å; L454-Y468 PolarHBondContact N-O 3.36Å; L454-Y468 PolarHBondContact O-N 3.09Å; L454-L470 HydrophobicContact CD1-CD1 4.07Å; L454-L470 HydrophobicContact CD1-CD2 3.47Å; L454-L470 VanDerWaalsContact CD1-CD2 3.47Å; L454-L470 HydrophobicContact CD1-CG 3.86Å; L454-L470 HydrophobicContact CG-CD1 4.48Å; L454-L470 HydrophobicContact CG-CD2 4.32Å; L454-L470 HydrophobicContact CG-CG 4.24Å; L454-Y598 HydrophobicContact CD1-CD1 3.86Å; L454-Y598 HydrophobicContact CD1-CE1 3.3Å
455	P	93.7	Very high	85	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	140.5	176.8	-29.2	39	0	0	0	114	R434 E435 Y490 V597	R434-P455 HydrophobicContact CB-CB 4.34Å; R434-P455 HydrophobicContact CB-CG 4.08Å; R434-P455 HydrophobicContact CG-CB 3.84Å; R434-P455 HydrophobicContact CG-CG 4Å; E435-P455 HydrophobicContact CB-CG 3.84Å; P455-Y490 WeakPolarHBondContact CB-OH 3.44Å; P455-Y490 WeakPolarHBondContact CG-OH 3.38Å; P455-V597 HydrophobicContact CB-CB 4.09Å; P455-V597 HydrophobicContact CB-CG1 4.19Å; P455-V597 HydrophobicContact CB-CG2 4.11Å; P455-V597 HydrophobicContact CG-CB 4.44Å; P455-V597 HydrophobicContact CG-CG1 4.17Å
456	Y	92.4	Very high	85.9	Confident	57 Å²	57	58 Å²	58	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.4	167.7	-174.2	-87.1	0	0	0	109.3	Y458 S466 I475	Y456-Y458 HydrophobicContact CD1-CD2 4.13Å; Y456-Y458 HydrophobicContact CD1-CE1 4.41Å; Y456-Y458 AromaticContact CD1-CE2 3.89Å; Y456-Y458 HydrophobicContact CD1-CE2 3.89Å; Y456-Y458 HydrophobicContact CD1-CG 4.48Å; Y456-Y458 AromaticContact CE1-CD1 3.78Å; Y456-Y458 HydrophobicContact CE1-CD1 3.78Å; Y456-Y458 HydrophobicContact CE1-CD2 4.07Å; Y456-Y458 AromaticContact CE1-CE1 3.54Å; Y456-Y458 HydrophobicContact CE1-CE1 3.54Å; Y456-Y458 AromaticContact CE1-CE2 3.84Å; Y456-Y458 HydrophobicContact CE1-CE2 3.84Å; Y456-Y458 HydrophobicContact CE1-CG 4.04Å; Y456-Y458 AromaticContact CE1-CZ 3.57Å; Y456-S466 PolarHBondContact N-O 3.43Å; Y456-S466 VanDerWaalsContact O-O 3.1Å; Y456-I475 HydrophobicContact CD1-CD1 4.11Å; Y456-I475 HydrophobicContact CD1-CG2 4.02Å; Y456-I475 HydrophobicContact CD2-CD1 3.87Å; Y456-I475 HydrophobicContact CD2-CG1 4.24Å; Y456-I475 HydrophobicContact CE1-CD1 3.84Å; Y456-I475 HydrophobicContact CE2-CD1 3.56Å; Y456-I475 HydrophobicContact CE2-CG1 4.4Å; Y456-I475 HydrophobicContact CG-CD1 4.13Å; Y456-I475 HydrophobicContact CG-CG1 4.34Å; Y456-I475 HydrophobicContact CG-CG2 4.2Å
457	I	91.5	Very high	87	Confident	14 Å²	14	55 Å²	55	7%	0.072	26%	0.264	C	S	.	.			trans	-117.5	117.4	-176.6	-58.6	-177	0	0	0	110.2	P462 Y490	I457-P462 HydrophobicContact CG2-CB 4.47Å; I457-Y490 HydrophobicContact CD1-CD2 3.64Å; I457-Y490 HydrophobicContact CD1-CE2 3.43Å; I457-Y490 VanDerWaalsContact CD1-CE2 3.43Å; I457-Y490 HydrophobicContact CG1-CE2 4.29Å
458	Y	87.4	Confident	87.9	Confident	74 Å²	74	46.8 Å²	46.8	29%	0.29	23%	0.233	S	C	.	.			trans	-78.4	126.8	166.5	-70.4	-76.4	0	0	0	110	Y456 Q460 R461 S466 I475	Y456-Y458 HydrophobicContact CD1-CD2 4.13Å; Y456-Y458 HydrophobicContact CD1-CE1 4.41Å; Y456-Y458 AromaticContact CD1-CE2 3.89Å; Y456-Y458 HydrophobicContact CD1-CE2 3.89Å; Y456-Y458 HydrophobicContact CD1-CG 4.48Å; Y456-Y458 AromaticContact CE1-CD1 3.78Å; Y456-Y458 HydrophobicContact CE1-CD1 3.78Å; Y456-Y458 HydrophobicContact CE1-CD2 4.07Å; Y456-Y458 AromaticContact CE1-CE1 3.54Å; Y456-Y458 HydrophobicContact CE1-CE1 3.54Å; Y456-Y458 AromaticContact CE1-CE2 3.84Å; Y456-Y458 HydrophobicContact CE1-CE2 3.84Å; Y456-Y458 HydrophobicContact CE1-CG 4.04Å; Y456-Y458 AromaticContact CE1-CZ 3.57Å; Y458-Q460 PolarHBondContact O-N 3.44Å; Y458-Q460 VanDerWaalsContact O-N 3.12Å; Y458-R461 CarbonylContact O-C 3.53Å; Y458-R461 VanDerWaalsContact O-C 3.27Å; Y458-R461 PolarHBondContact O-N 3.27Å; Y458-S466 WeakPolarHBondContact CE2-OG 3.45Å; Y458-I475 HydrophobicContact CE2-CG2 4.44Å
459	S	85	Confident	88.6	Confident	94 Å²	94	44.3 Å²	44.3	66%	0.657	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.6	-178.7	-61.7	0	0	0	0	114.1
460	Q	86.5	Confident	88.8	Confident	186 Å²	186	43.5 Å²	43.5	87%	0.869	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-19.6	178.1	-62.9	177.9	2	0	0	113.5	Y458	Y458-Q460 PolarHBondContact O-N 3.44Å; Y458-Q460 VanDerWaalsContact O-N 3.12Å
461	R	87.6	Confident	88.8	Confident	101 Å²	101	41.4 Å²	41.4	38%	0.381	20%	0.199	S	C	.	.			trans	-137.3	64.6	-175.4	-64.1	-173.1	-67.9	124.1	-7.9	110.4	Y458 C463 S464 D477	Y458-R461 CarbonylContact O-C 3.53Å; Y458-R461 VanDerWaalsContact O-C 3.27Å; Y458-R461 PolarHBondContact O-N 3.27Å; R461-C463 PolarHBondContact O-N 3.11Å; R461-C463 VanDerWaalsContact O-N 3.16Å; R461-S464 WeakPolarHBondContact CB-OG 3.49Å; R461-S464 PolarHBondContact NH1-OG 3.5Å; R461-S464 VanDerWaalsContact NH1-OG 3.11Å; R461-S464 PolarHBondContact O-N 2.8Å; R461-S464 VanDerWaalsContact O-N 3.13Å; R461-S464 PolarHBondContact O-OG 3.19Å; R461-D477 IonicContact CZ-OD2 3.41Å; R461-D477 IonicContact NH1-OD1 3.65Å; R461-D477 IonicContact NH1-OD2 3.66Å; R461-D477 PolarHBondContact NH1-OD2 2.88Å; R461-D477 IonicContact NH2-OD2 2.66Å; R461-D477 PolarHBondContact NH2-OD2 2.98Å
462	P	91.2	Very high	88.8	Confident	28 Å²	28	43.1 Å²	43.1	18%	0.182	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.3	-175.1	23.8	-34	0	0	0	113	R434 I457 C488 T489 C502	R434-P462 VanDerWaalsContact CZ-O 3.3Å; R434-P462 PolarHBondContact NH1-O 3.39Å; R434-P462 PolarHBondContact NH2-O 3.21Å; I457-P462 HydrophobicContact CG2-CB 4.47Å; P462-C488 HydrophobicContact CB-CB 4.05Å; P462-C488 WeakPolarHBondContact CB-O 3.34Å; P462-T489 HydrophobicContact CB-CG2 4.33Å; P462-C502 HydrophobicContact CG-CB 4.03Å
463	C	88.5	Confident	88.5	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.034	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	7.2	-179.4	-63.2	0	0	0	0	114.9	R461 S481 V482 C497 S500 C502	R461-C463 PolarHBondContact O-N 3.11Å; R461-C463 VanDerWaalsContact O-N 3.16Å; C463-S481 CarbonylContact O-C 3.53Å; C463-S481 WeakPolarHBondContact O-CA 3.47Å; C463-S481 WeakPolarHBondContact O-CB 3.43Å; C463-S481 PolarHBondContact O-OG 3.16Å; C463-V482 HydrophobicContact CB-CG2 4.34Å; C463-V482 PolarHBondContact O-N 2.92Å; C463-C497 WeakPolarHBondContact CA-SG 3.28Å; C463-C497 HydrophobicContact CB-CB 3.75Å; C463-C497 WeakPolarHBondContact CB-SG 3.48Å; C463-C497 WeakPolarHBondContact SG-CA 3.4Å; C463-C497 WeakPolarHBondContact SG-CB 3.31Å; C463-C497 CovalentContact SG-SG 2.04Å; C463-C497 PolarHBondContact SG-SG 3.26Å; C463-S500 WeakPolarHBondContact CB-O 3.45Å; C463-C502 VanDerWaalsContact SG-CA 3.53Å; C463-C502 PolarHBondContact SG-N 3.43Å; C463-C502 VanDerWaalsContact SG-N 3.43Å
464	S	86.9	Confident	88.4	Confident	11 Å²	11	44.5 Å²	44.5	8%	0.077	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	142.2	165.2	59.4	0	0	0	0	110.7	R434 R461 M480	R434-S464 PolarHBondContact NH1-O 3.34Å; R461-S464 WeakPolarHBondContact CB-OG 3.49Å; R461-S464 PolarHBondContact NH1-OG 3.5Å; R461-S464 VanDerWaalsContact NH1-OG 3.11Å; R461-S464 PolarHBondContact O-N 2.8Å; R461-S464 VanDerWaalsContact O-N 3.13Å; R461-S464 PolarHBondContact O-OG 3.19Å; S464-M480 CarbonylContact C-O 3.58Å; S464-M480 WeakPolarHBondContact CA-O 3.45Å
465	L	85.1	Confident	88.2	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.3	171.7	-174.4	67.7	0	0	0	109.1	R434 Q437 F441 A478 M480 V482	R434-L465 HydrophobicContact CG-CD1 4.22Å; Q437-L465 HydrophobicContact CB-CD1 3.89Å; Q437-L465 HydrophobicContact CB-CD2 4.16Å; F441-L465 HydrophobicContact CE2-CD2 4.17Å; F441-L465 HydrophobicContact CZ-CD2 4.5Å; L465-A478 HydrophobicContact CB-CB 4.25Å; L465-A478 HydrophobicContact CD2-CB 4.19Å; L465-A478 HydrophobicContact CG-CB 4.26Å; L465-A478 WeakPolarHBondContact O-CB 3.22Å; L465-A478 PolarHBondContact O-N 2.86Å; L465-A478 VanDerWaalsContact O-N 3.14Å; L465-M480 HydrophobicContact CB-CG 3.78Å; L465-M480 HydrophobicContact CB-SD 4.47Å; L465-M480 HydrophobicContact CD2-CG 4.06Å; L465-M480 HydrophobicContact CD2-SD 3.62Å; L465-M480 PolarHBondContact N-O 3.17Å; L465-V482 HydrophobicContact CB-CG1 3.99Å; L465-V482 HydrophobicContact CD1-CG1 3.96Å
466	S	89.4	Confident	87.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.2	169.2	-52.9	0	0	0	0	108.9	Y456 Y458 L476	Y456-S466 PolarHBondContact N-O 3.43Å; Y456-S466 VanDerWaalsContact O-O 3.1Å; Y458-S466 WeakPolarHBondContact CE2-OG 3.45Å; S466-L476 CarbonylContact C-O 3.53Å; S466-L476 VanDerWaalsContact CA-O 3.26Å; S466-L476 WeakPolarHBondContact CA-O 2.91Å
467	C	91	Very high	87	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.6	-171.6	-57.9	0	0	0	0	110.8	C438 F441 W453 L454 I475 L476	C438-C467 WeakPolarHBondContact CA-SG 3.5Å; C438-C467 HydrophobicContact CB-CB 3.85Å; C438-C467 WeakPolarHBondContact CB-SG 3.18Å; C438-C467 WeakPolarHBondContact SG-CB 3.39Å; C438-C467 CovalentContact SG-SG 2.05Å; C438-C467 PolarHBondContact SG-SG 2.74Å; F441-C467 HydrophobicContact CD2-CB 4.46Å; W453-C467 HydrophobicContact CB-CB 4.17Å; W453-C467 HydrophobicContact CD2-CB 4.47Å; W453-C467 HydrophobicContact CE3-CB 3.86Å; L454-C467 CarbonylContact O-C 3.58Å; L454-C467 VanDerWaalsContact O-CA 3.27Å; L454-C467 WeakPolarHBondContact O-CA 3.36Å; C467-I475 CarbonylContact O-C 3.6Å; C467-I475 WeakPolarHBondContact O-CA 3.49Å; C467-L476 HydrophobicContact CB-CB 4.49Å; C467-L476 PolarHBondContact N-O 3.5Å; C467-L476 PolarHBondContact O-N 3.18Å
468	Y	91.4	Very high	85.5	Confident	29 Å²	29	48 Å²	48	11%	0.114	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.3	177.4	172.1	-98	0	0	0	110.8	W453 L454 L470 G473 I475 R596	W453-Y468 WeakPolarHBondContact CA-O 2.9Å; L454-Y468 PolarHBondContact N-O 3.36Å; L454-Y468 PolarHBondContact O-N 3.09Å; Y468-L470 HydrophobicContact CD1-CD2 4.3Å; Y468-L470 HydrophobicContact CE1-CD2 3.94Å; Y468-G473 WeakPolarHBondContact CE2-O 3.31Å; Y468-I475 HydrophobicContact CD2-CG1 4.27Å; Y468-R596 VanDerWaalsContact CE1-NE 3.3Å; Y468-R596 VanDerWaalsContact CZ-NE 3.26Å; Y468-R596 PolarHBondContact OH-NE 3.22Å; Y468-R596 PolarHBondContact OH-NH2 3.29Å
469	S	90	Very high	84.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.8	172.7	176.9	0	0	0	0	112.2	H451 Q471 S472 G473 Q474	H451-S469 PolarHBondContact ND1-OG 3.39Å; S469-Q471 VanDerWaalsContact C-N 3.27Å; S469-Q471 PolarHBondContact O-N 3.37Å; S469-Q471 PolarHBondContact OG-N 2.97Å; S469-Q471 PolarHBondContact OG-OE1 3.31Å; S469-S472 VanDerWaalsContact CB-OG 3.29Å; S469-S472 WeakPolarHBondContact CB-OG 3.32Å; S469-S472 PolarHBondContact OG-N 3.38Å; S469-S472 PolarHBondContact OG-OG 3.14Å; S469-G473 WeakPolarHBondContact O-CA 3.44Å; S469-G473 PolarHBondContact O-N 3.11Å; S469-Q474 PolarHBondContact N-O 3.15Å
470	L	85.9	Confident	83.4	Confident	72 Å²	72	44.7 Å²	44.7	38%	0.377	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.2	171.8	-71.4	-174.1	0	0	0	113.6	K452 L454 Y468 Y598	K452-L470 HydrophobicContact CB-CB 4.38Å; K452-L470 HydrophobicContact CB-CD1 3.95Å; K452-L470 HydrophobicContact CB-CG 4.33Å; K452-L470 HydrophobicContact CG-CD1 3.73Å; K452-L470 HydrophobicContact CG-CG 4.39Å; K452-L470 PolarHBondContact O-N 2.92Å; L454-L470 HydrophobicContact CD1-CD1 4.07Å; L454-L470 HydrophobicContact CD1-CD2 3.47Å; L454-L470 VanDerWaalsContact CD1-CD2 3.47Å; L454-L470 HydrophobicContact CD1-CG 3.86Å; L454-L470 HydrophobicContact CG-CD1 4.48Å; L454-L470 HydrophobicContact CG-CD2 4.32Å; L454-L470 HydrophobicContact CG-CG 4.24Å; Y468-L470 HydrophobicContact CD1-CD2 4.3Å; Y468-L470 HydrophobicContact CE1-CD2 3.94Å; L470-Y598 HydrophobicContact CD2-CE1 4.33Å
471	Q	85.4	Confident	82.7	Confident	95 Å²	95	36.8 Å²	36.8	44%	0.444	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-34.2	-171.6	-66.8	73	14.3	0	0	113	I449 S469	I449-Q471 HydrophobicContact CD1-CB 4.2Å; S469-Q471 VanDerWaalsContact C-N 3.27Å; S469-Q471 PolarHBondContact O-N 3.37Å; S469-Q471 PolarHBondContact OG-N 2.97Å; S469-Q471 PolarHBondContact OG-OE1 3.31Å
472	S	84.5	Confident	82.5	Confident	44 Å²	44	32 Å²	32	31%	0.308	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-9.5	-174.7	64.2	0	0	0	0	114.6	S469 Q474	S469-S472 VanDerWaalsContact CB-OG 3.29Å; S469-S472 WeakPolarHBondContact CB-OG 3.32Å; S469-S472 PolarHBondContact OG-N 3.38Å; S469-S472 PolarHBondContact OG-OG 3.14Å; S472-Q474 PolarHBondContact O-N 2.78Å; S472-Q474 VanDerWaalsContact O-N 3.12Å; S472-Q474 PolarHBondContact OG-N 3.02Å
473	G	84.5	Confident	82	Confident	38 Å²	38	31.7 Å²	31.7	39%	0.392	18%	0.18	S	C	.	.			trans	69	0.9	-174.2	0	0	0	0	0	114.6	Y468 S469	Y468-G473 WeakPolarHBondContact CE2-O 3.31Å; S469-G473 WeakPolarHBondContact O-CA 3.44Å; S469-G473 PolarHBondContact O-N 3.11Å
474	Q	85.9	Confident	81.8	Confident	72 Å²	72	31.7 Å²	31.7	34%	0.336	18%	0.179	S	C	.	.			trans	-77.2	143.3	-178.5	-71.1	172.6	56.1	0	0	111.1	S469 S472	S469-Q474 PolarHBondContact N-O 3.15Å; S472-Q474 PolarHBondContact O-N 2.78Å; S472-Q474 VanDerWaalsContact O-N 3.12Å; S472-Q474 PolarHBondContact OG-N 3.02Å
475	I	87.6	Confident	81.8	Confident	64 Å²	64	31.2 Å²	31.2	33%	0.328	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.1	170.3	-59.4	166.1	0	0	0	107.7	Y456 Y458 C467 Y468	Y456-I475 HydrophobicContact CD1-CD1 4.11Å; Y456-I475 HydrophobicContact CD1-CG2 4.02Å; Y456-I475 HydrophobicContact CD2-CD1 3.87Å; Y456-I475 HydrophobicContact CD2-CG1 4.24Å; Y456-I475 HydrophobicContact CE1-CD1 3.84Å; Y456-I475 HydrophobicContact CE2-CD1 3.56Å; Y456-I475 HydrophobicContact CE2-CG1 4.4Å; Y456-I475 HydrophobicContact CG-CD1 4.13Å; Y456-I475 HydrophobicContact CG-CG1 4.34Å; Y456-I475 HydrophobicContact CG-CG2 4.2Å; Y458-I475 HydrophobicContact CE2-CG2 4.44Å; C467-I475 CarbonylContact O-C 3.6Å; C467-I475 WeakPolarHBondContact O-CA 3.49Å; Y468-I475 HydrophobicContact CD2-CG1 4.27Å
476	L	81.9	Confident	81.9	Confident	36 Å²	36	31 Å²	31	19%	0.188	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	104.1	169.9	-172.9	66.4	0	0	0	108.2	V165 F441 W453 S466 C467 A478	V165-L476 HydrophobicContact CG1-CD1 3.3Å; V165-L476 HydrophobicContact CG1-CD2 3.56Å; V165-L476 HydrophobicContact CG1-CG 3.6Å; F441-L476 HydrophobicContact CD1-CD2 4.28Å; F441-L476 HydrophobicContact CD2-CD2 4.04Å; F441-L476 HydrophobicContact CE1-CD2 4.47Å; F441-L476 HydrophobicContact CE2-CD2 4.23Å; F441-L476 HydrophobicContact CG-CD2 4.07Å; F441-L476 HydrophobicContact CZ-CD2 4.44Å; W453-L476 HydrophobicContact CE3-CB 4.12Å; W453-L476 HydrophobicContact CE3-CD2 4.35Å; W453-L476 HydrophobicContact CH2-CB 3.88Å; W453-L476 HydrophobicContact CH2-CD2 4.02Å; W453-L476 HydrophobicContact CH2-CG 4.45Å; W453-L476 HydrophobicContact CZ2-CD2 4.28Å; W453-L476 HydrophobicContact CZ3-CB 3.45Å; W453-L476 VanDerWaalsContact CZ3-CB 3.45Å; W453-L476 HydrophobicContact CZ3-CD2 4.07Å; W453-L476 HydrophobicContact CZ3-CG 4.38Å; S466-L476 CarbonylContact C-O 3.53Å; S466-L476 VanDerWaalsContact CA-O 3.26Å; S466-L476 WeakPolarHBondContact CA-O 2.91Å; C467-L476 HydrophobicContact CB-CB 4.49Å; C467-L476 PolarHBondContact N-O 3.5Å; C467-L476 PolarHBondContact O-N 3.18Å; L476-A478 PolarHBondContact O-N 3.3Å
477	D	80.3	Confident	82.1	Confident	55 Å²	55	32.7 Å²	32.7	29%	0.294	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	102.3	164.7	-168.3	-19.5	0	0	0	107.6	R461 S479	R461-D477 IonicContact CZ-OD2 3.41Å; R461-D477 IonicContact NH1-OD1 3.65Å; R461-D477 IonicContact NH1-OD2 3.66Å; R461-D477 PolarHBondContact NH1-OD2 2.88Å; R461-D477 IonicContact NH2-OD2 2.66Å; R461-D477 PolarHBondContact NH2-OD2 2.98Å; D477-S479 PolarHBondContact O-N 2.01Å; D477-S479 VanDerWaalsContact O-N 3.08Å; D477-S479 PolarHBondContact OD1-N 3.46Å
478	A	60.3	Low	82.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-5	-177.2	0	0	0	0	0	111.6	R166 F441 L465 L476 M480	R166-A478 CarbonylContact C-O 3.59Å; R166-A478 VanDerWaalsContact C-O 3.23Å; R166-A478 VanDerWaalsContact CA-O 3.22Å; R166-A478 WeakPolarHBondContact CA-O 3.05Å; F441-A478 HydrophobicContact CZ-CB 4.28Å; L465-A478 HydrophobicContact CB-CB 4.25Å; L465-A478 HydrophobicContact CD2-CB 4.19Å; L465-A478 HydrophobicContact CG-CB 4.26Å; L465-A478 WeakPolarHBondContact O-CB 3.22Å; L465-A478 PolarHBondContact O-N 2.86Å; L465-A478 VanDerWaalsContact O-N 3.14Å; L476-A478 PolarHBondContact O-N 3.3Å; A478-M480 HydrophobicContact CB-CE 3.83Å; A478-M480 HydrophobicContact CB-CG 3.71Å; A478-M480 HydrophobicContact CB-SD 3.84Å; A478-M480 WeakPolarHBondContact O-CE 3.37Å; A478-M480 PolarHBondContact O-N 3.47Å
479	S	64.1	Low	82.2	Confident	74 Å²	74	33.2 Å²	33.2	52%	0.517	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.3	21	179.5	-53	0	0	0	0	114.6	D477	D477-S479 PolarHBondContact O-N 2.01Å; D477-S479 VanDerWaalsContact O-N 3.08Å; D477-S479 PolarHBondContact OD1-N 3.46Å
480	M	62.6	Low	82.3	Confident	25 Å²	25	34.2 Å²	34.2	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	163.5	177.7	65.6	-170	56	0	0	109	V165 R166 N168 S464 L465 A478	V165-M480 WeakPolarHBondContact O-CE 3.36Å; R166-M480 VanDerWaalsContact C-CE 3.48Å; R166-M480 WeakPolarHBondContact O-CE 3.31Å; N168-M480 HydrophobicContact CB-CE 3.18Å; N168-M480 HydrophobicContact CB-SD 3.32Å; N168-M480 WeakPolarHBondContact CB-SD 3.28Å; N168-M480 VanDerWaalsContact N-CE 3.29Å; S464-M480 CarbonylContact C-O 3.58Å; S464-M480 WeakPolarHBondContact CA-O 3.45Å; L465-M480 HydrophobicContact CB-CG 3.78Å; L465-M480 HydrophobicContact CB-SD 4.47Å; L465-M480 HydrophobicContact CD2-CG 4.06Å; L465-M480 HydrophobicContact CD2-SD 3.62Å; L465-M480 PolarHBondContact N-O 3.17Å; A478-M480 HydrophobicContact CB-CE 3.83Å; A478-M480 HydrophobicContact CB-CG 3.71Å; A478-M480 HydrophobicContact CB-SD 3.84Å; A478-M480 WeakPolarHBondContact O-CE 3.37Å; A478-M480 PolarHBondContact O-N 3.47Å
481	S	73.1	Confident	82.3	Confident	20 Å²	20	35.1 Å²	35.1	14%	0.14	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	158.1	170.6	-68.2	0	0	0	0	111.9	I279 C463 S500	I279-S481 VanDerWaalsContact CD1-C 3.45Å; I279-S481 WeakPolarHBondContact CD1-O 3.45Å; C463-S481 CarbonylContact O-C 3.53Å; C463-S481 WeakPolarHBondContact O-CA 3.47Å; C463-S481 WeakPolarHBondContact O-CB 3.43Å; C463-S481 PolarHBondContact O-OG 3.16Å; S481-S500 VanDerWaalsContact CB-OG 3.31Å; S481-S500 WeakPolarHBondContact CB-OG 3.46Å; S481-S500 WeakPolarHBondContact OG-CB 3.05Å; S481-S500 PolarHBondContact OG-OG 2.64Å
482	V	83.4	Confident	82.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-69.7	149.4	167.3	-61.3	0	0	0	0	109.3	I279 R434 Q437 C463 L465 T486 C497	I279-V482 VanDerWaalsContact CD1-O 3.31Å; I279-V482 WeakPolarHBondContact CD1-O 3.5Å; R434-V482 HydrophobicContact CG-CG1 4.4Å; Q437-V482 VanDerWaalsContact OE1-CA 3.31Å; C463-V482 HydrophobicContact CB-CG2 4.34Å; C463-V482 PolarHBondContact O-N 2.92Å; L465-V482 HydrophobicContact CB-CG1 3.99Å; L465-V482 HydrophobicContact CD1-CG1 3.96Å; V482-T486 HydrophobicContact CB-CG2 3.98Å; V482-T486 HydrophobicContact CG1-CG2 4.35Å; V482-T486 HydrophobicContact CG2-CG2 3.95Å; V482-C497 HydrophobicContact CG2-CB 3.54Å; V482-C497 WeakPolarHBondContact CG2-SG 3.43Å
483	R	81	Confident	82.6	Confident	22 Å²	22	33.1 Å²	33.1	8%	0.083	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-54.3	145.8	174.5	-69.5	179.3	-179.4	-140.3	-22	111.4	D276 Y433 Q437 R440 T486	D276-R483 VanDerWaalsContact CB-NH1 3.25Å; D276-R483 IonicContact OD1-CZ 2.72Å; D276-R483 IonicContact OD1-NE 2.8Å; D276-R483 IonicContact OD1-NH1 3.55Å; D276-R483 PolarHBondContact OD1-NH1 2.75Å; D276-R483 IonicContact OD1-NH2 3.5Å; D276-R483 PolarHBondContact OD1-NH2 3.48Å; D276-R483 IonicContact OD2-CZ 3.83Å; D276-R483 IonicContact OD2-NE 3.32Å; D276-R483 PolarHBondContact OD2-NE 2.81Å; D276-R483 VanDerWaalsContact OD2-NE 3.13Å; D276-R483 IonicContact OD2-NH1 3.31Å; D276-R483 PolarHBondContact OD2-NH1 3.09Å; D276-R483 IonicContact OD2-NH2 3.46Å; D276-R483 PolarHBondContact OD2-NH2 2.81Å; Y433-R483 HydrophobicContact CE1-CB 3.49Å; Y433-R483 VanDerWaalsContact CE1-CB 3.49Å; Y433-R483 VanDerWaalsContact OH-CB 3.27Å; Y433-R483 WeakPolarHBondContact OH-CB 3.31Å; Y433-R483 WeakPolarHBondContact OH-CD 3.4Å; Q437-R483 HydrophobicContact CG-CG 4.44Å; R440-R483 VanDerWaalsContact NH2-NH1 3.18Å; R483-T486 VanDerWaalsContact O-CB 3.29Å; R483-T486 WeakPolarHBondContact O-CB 3.07Å; R483-T486 PolarHBondContact O-N 3.26Å; R483-T486 VanDerWaalsContact O-N 3.14Å; R483-T486 PolarHBondContact O-OG1 2.62Å
484	D	82.7	Confident	82.8	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.027	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	146.5	177.5	-81.6	11.5	0	0	0	111.3	T486 C497 I498 Q499	D484-T486 VanDerWaalsContact C-N 3.28Å; D484-T486 PolarHBondContact O-N 2.81Å; D484-C497 CarbonylContact C-O 3.57Å; D484-C497 VanDerWaalsContact CA-O 3.31Å; D484-C497 WeakPolarHBondContact CA-O 3.37Å; D484-I498 WeakPolarHBondContact OD1-CA 3.36Å; D484-Q499 PolarHBondContact OD1-N 3.16Å
485	S	87.1	Confident	83.1	Confident	1 Å²	1	29 Å²	29	1%	0.007	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	-6.4	-170.8	79.5	0	0	0	0	117.1	S383 R384 T390 R496 C497	S383-S485 WeakPolarHBondContact OG-CB 3.43Å; R384-S485 WeakPolarHBondContact CD-OG 3.43Å; T390-S485 PolarHBondContact OG1-N 3.01Å; T390-S485 VanDerWaalsContact OG1-N 3.12Å; S485-R496 WeakPolarHBondContact O-CG 3.38Å; S485-R496 PolarHBondContact O-NH1 3.18Å; S485-C497 PolarHBondContact N-O 2.8Å
486	T	88.4	Confident	83.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.			trans	-58.9	131.1	172.5	-54.1	0	0	0	0	109.8	Y433 R434 Q437 V482 R483 D484 C488 R496 C497	Y433-T486 HydrophobicContact CD1-CG2 4.39Å; Y433-T486 WeakPolarHBondContact CD1-OG1 3.38Å; Y433-T486 WeakPolarHBondContact CE1-OG1 3.48Å; R434-T486 HydrophobicContact CB-CG2 3.89Å; R434-T486 HydrophobicContact CG-CG2 4.43Å; Q437-T486 PolarHBondContact NE2-OG1 2.9Å; V482-T486 HydrophobicContact CB-CG2 3.98Å; V482-T486 HydrophobicContact CG1-CG2 4.35Å; V482-T486 HydrophobicContact CG2-CG2 3.95Å; R483-T486 VanDerWaalsContact O-CB 3.29Å; R483-T486 WeakPolarHBondContact O-CB 3.07Å; R483-T486 PolarHBondContact O-N 3.26Å; R483-T486 VanDerWaalsContact O-N 3.14Å; R483-T486 PolarHBondContact O-OG1 2.62Å; D484-T486 VanDerWaalsContact C-N 3.28Å; D484-T486 PolarHBondContact O-N 2.81Å; T486-C488 PolarHBondContact O-N 2.74Å; T486-R496 WeakPolarHBondContact O-CA 3.36Å; T486-C497 PolarHBondContact O-N 2.71Å
487	P	92.1	Very high	83.7	Confident	34 Å²	34	25.6 Å²	25.6	22%	0.221	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-54.4	134.9	172.3	-26.6	35.5	0	0	0	111.5	R434 T489 A495	R434-P487 PolarHBondContact NH2-O 3.43Å; P487-T489 VanDerWaalsContact C-N 3.28Å; P487-T489 PolarHBondContact O-N 3.06Å; P487-A495 CarbonylContact C-O 3.57Å; P487-A495 WeakPolarHBondContact CA-O 3.47Å
488	C	93	Very high	83.9	Confident	2 Å²	2	23 Å²	23	1%	0.014	13%	0.131	C	C	.	.	S	Bend	trans	-62.7	-40.8	178.1	-63.7	0	0	0	0	111.1	R434 P462 T486 A495 R496 C502	R434-C488 PolarHBondContact NH2-O 3.16Å; P462-C488 HydrophobicContact CB-CB 4.05Å; P462-C488 WeakPolarHBondContact CB-O 3.34Å; T486-C488 PolarHBondContact O-N 2.74Å; C488-A495 HydrophobicContact CB-CB 4.14Å; C488-A495 PolarHBondContact N-O 2.95Å; C488-A495 PolarHBondContact SG-O 3.28Å; C488-R496 VanDerWaalsContact SG-C 3.56Å; C488-C502 HydrophobicContact CB-CB 4.08Å; C488-C502 WeakPolarHBondContact CB-SG 2.92Å; C488-C502 WeakPolarHBondContact SG-CA 3.38Å; C488-C502 WeakPolarHBondContact SG-CB 3.35Å; C488-C502 CovalentContact SG-SG 2.03Å; C488-C502 PolarHBondContact SG-SG 2.88Å
489	T	92.9	Very high	84.4	Confident	39 Å²	39	25.6 Å²	25.6	24%	0.239	14%	0.144	C	C	.	.			trans	-148.1	163	-177.2	58	0	0	0	0	109.9	P462 P487 D491 N492	P462-T489 HydrophobicContact CB-CG2 4.33Å; P487-T489 VanDerWaalsContact C-N 3.28Å; P487-T489 PolarHBondContact O-N 3.06Å; T489-D491 WeakPolarHBondContact CB-OD1 3.33Å; T489-D491 PolarHBondContact OG1-OD1 2.84Å; T489-N492 CarbonylContact O-C 3.34Å
490	Y	91	Very high	84.7	Confident	20 Å²	20	24.7 Å²	24.7	8%	0.078	14%	0.138	C	C	.	.	S	Bend	trans	-84.5	-18.1	-178.9	-67	-82.8	0	0	0	113.9	D432 P455 I457 V597 A600 E602 K624 G625	D432-Y490 PolarHBondContact OD1-OH 3.46Å; D432-Y490 WeakPolarHBondContact OD2-CE1 3.09Å; D432-Y490 VanDerWaalsContact OD2-CZ 3.23Å; D432-Y490 PolarHBondContact OD2-OH 2.96Å; P455-Y490 WeakPolarHBondContact CB-OH 3.44Å; P455-Y490 WeakPolarHBondContact CG-OH 3.38Å; I457-Y490 HydrophobicContact CD1-CD2 3.64Å; I457-Y490 HydrophobicContact CD1-CE2 3.43Å; I457-Y490 VanDerWaalsContact CD1-CE2 3.43Å; I457-Y490 HydrophobicContact CG1-CE2 4.29Å; Y490-V597 HydrophobicContact CD2-CG2 4.01Å; Y490-V597 HydrophobicContact CE1-CG1 3.92Å; Y490-V597 HydrophobicContact CE2-CB 4.29Å; Y490-V597 HydrophobicContact CE2-CG1 3.78Å; Y490-V597 HydrophobicContact CE2-CG2 3.48Å; Y490-V597 VanDerWaalsContact CE2-CG2 3.48Å; Y490-V597 VanDerWaalsContact CZ-CG1 3.44Å; Y490-V597 WeakPolarHBondContact OH-CG1 3.42Å; Y490-A600 WeakPolarHBondContact CD1-O 3.28Å; Y490-A600 HydrophobicContact CE1-CB 4.48Å; Y490-E602 HydrophobicContact CD2-CB 4.03Å; Y490-E602 HydrophobicContact CG-CB 4.32Å; Y490-K624 WeakPolarHBondContact CB-O 3.38Å; Y490-K624 CarbonylContact O-C 3.41Å; Y490-G625 WeakPolarHBondContact O-CA 3.41Å; Y490-G625 PolarHBondContact O-N 3.21Å
491	D	86.6	Confident	85.6	Confident	91 Å²	91	27.1 Å²	27.1	49%	0.487	15%	0.153	S	C	.	.	S	Bend	trans	-77.6	-29.8	172.1	47.9	-0.8	0	0	0	113.3	T489 P493 K624	T489-D491 WeakPolarHBondContact CB-OD1 3.33Å; T489-D491 PolarHBondContact OG1-OD1 2.84Å; D491-P493 WeakPolarHBondContact O-CD 3.27Å; D491-K624 HydrophobicContact CB-CB 3.95Å; D491-K624 HydrophobicContact CB-CD 3.88Å; D491-K624 HydrophobicContact CB-CG 4.17Å
492	N	88.9	Confident	86.5	Confident	49 Å²	49	28.5 Å²	28.5	26%	0.262	16%	0.163	S	C	.	.			trans	-121.4	85	177.2	-173.8	-1	0	0	0	110.1	T489 D494 A495	T489-N492 CarbonylContact O-C 3.34Å; N492-D494 PolarHBondContact O-N 3.18Å; N492-D494 WeakPolarHBondContact OD1-CB 3.33Å; N492-D494 PolarHBondContact OD1-N 3.34Å; N492-A495 HydrophobicContact CB-CB 4.4Å; N492-A495 WeakPolarHBondContact ND2-CB 3.43Å; N492-A495 PolarHBondContact O-N 2.64Å; N492-A495 PolarHBondContact OD1-N 2.98Å
493	P	86.3	Confident	86.9	Confident	48 Å²	48	29.2 Å²	29.2	31%	0.312	17%	0.166	S	C	.	.	S	Bend	trans	-69.7	-8.8	-179.7	30	-36.2	0	0	0	113.9	D491 R496	D491-P493 WeakPolarHBondContact O-CD 3.27Å; P493-R496 PolarHBondContact O-NH2 2.98Å
494	D	90	Very high	87.5	Confident	21 Å²	21	31.6 Å²	31.6	11%	0.112	18%	0.181	C	C	.	.	S	Bend	trans	-86.1	-37.7	178.9	-58.3	-57.6	0	0	0	112.6	N492 R496 F505 R517	N492-D494 PolarHBondContact O-N 3.18Å; N492-D494 WeakPolarHBondContact OD1-CB 3.33Å; N492-D494 PolarHBondContact OD1-N 3.34Å; D494-R496 WeakPolarHBondContact O-CG 3.39Å; D494-R496 PolarHBondContact O-N 3.3Å; D494-F505 WeakPolarHBondContact CB-O 3.48Å; D494-F505 WeakPolarHBondContact O-CB 2.92Å; D494-R517 IonicContact OD1-CZ 2.79Å; D494-R517 IonicContact OD1-NH1 3.64Å; D494-R517 PolarHBondContact OD1-NH1 3.37Å; D494-R517 IonicContact OD1-NH2 2.95Å; D494-R517 PolarHBondContact OD1-NH2 3.47Å; D494-R517 VanDerWaalsContact OD1-NH2 3.09Å; D494-R517 IonicContact OD2-CZ 2.68Å; D494-R517 IonicContact OD2-NH1 2.75Å; D494-R517 PolarHBondContact OD2-NH1 3.22Å
495	A	92.7	Very high	87.9	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.033	18%	0.18	C	C	.	.			trans	-64.5	122.4	173.1	0	0	0	0	0	109.3	P487 C488 N492 I503	P487-A495 CarbonylContact C-O 3.57Å; P487-A495 WeakPolarHBondContact CA-O 3.47Å; C488-A495 HydrophobicContact CB-CB 4.14Å; C488-A495 PolarHBondContact N-O 2.95Å; C488-A495 PolarHBondContact SG-O 3.28Å; N492-A495 HydrophobicContact CB-CB 4.4Å; N492-A495 WeakPolarHBondContact ND2-CB 3.43Å; N492-A495 PolarHBondContact O-N 2.64Å; N492-A495 PolarHBondContact OD1-N 2.98Å; A495-I503 CarbonylContact C-O 3.27Å; A495-I503 VanDerWaalsContact CA-O 3.29Å; A495-I503 WeakPolarHBondContact CA-O 2.75Å
496	R	91.4	Very high	88.2	Confident	27 Å²	27	31.8 Å²	31.8	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.2	-172.1	-73.9	176.5	-169.5	-80.3	-4	111.2	T390 S485 T486 C488 P493 D494 I503 F505	T390-R496 HydrophobicContact CG2-CB 4.16Å; S485-R496 WeakPolarHBondContact O-CG 3.38Å; S485-R496 PolarHBondContact O-NH1 3.18Å; T486-R496 WeakPolarHBondContact O-CA 3.36Å; C488-R496 VanDerWaalsContact SG-C 3.56Å; P493-R496 PolarHBondContact O-NH2 2.98Å; D494-R496 WeakPolarHBondContact O-CG 3.39Å; D494-R496 PolarHBondContact O-N 3.3Å; R496-I503 PolarHBondContact N-O 3.3Å; R496-I503 PolarHBondContact O-N 2.98Å; R496-F505 HydrophobicContact CB-CD2 4.22Å; R496-F505 HydrophobicContact CB-CE2 4.18Å
497	C	90.3	Very high	88.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	130	175.3	-63.1	0	0	0	0	110.4	C463 V482 D484 S485 T486 V501	C463-C497 WeakPolarHBondContact CA-SG 3.28Å; C463-C497 HydrophobicContact CB-CB 3.75Å; C463-C497 WeakPolarHBondContact CB-SG 3.48Å; C463-C497 WeakPolarHBondContact SG-CA 3.4Å; C463-C497 WeakPolarHBondContact SG-CB 3.31Å; C463-C497 CovalentContact SG-SG 2.04Å; C463-C497 PolarHBondContact SG-SG 3.26Å; V482-C497 HydrophobicContact CG2-CB 3.54Å; V482-C497 WeakPolarHBondContact CG2-SG 3.43Å; D484-C497 CarbonylContact C-O 3.57Å; D484-C497 VanDerWaalsContact CA-O 3.31Å; D484-C497 WeakPolarHBondContact CA-O 3.37Å; S485-C497 PolarHBondContact N-O 2.8Å; T486-C497 PolarHBondContact O-N 2.71Å; C497-V501 CarbonylContact C-O 3.59Å; C497-V501 WeakPolarHBondContact CA-O 3.3Å
498	I	83.8	Confident	88.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122.6	171.7	-51.5	178.5	0	0	0	107.3	T390 Y392 Y416 D484 S500 V501 I503 F505	T390-I498 HydrophobicContact CG2-CD1 3.69Å; T390-I498 HydrophobicContact CG2-CG1 3.86Å; Y392-I498 HydrophobicContact CD1-CG2 4.22Å; Y416-I498 HydrophobicContact CD1-CB 4.05Å; Y416-I498 HydrophobicContact CD1-CD1 3.73Å; Y416-I498 HydrophobicContact CD1-CG1 4.48Å; Y416-I498 HydrophobicContact CD1-CG2 3.75Å; Y416-I498 HydrophobicContact CE1-CB 4.16Å; Y416-I498 HydrophobicContact CE1-CG2 3.84Å; Y416-I498 HydrophobicContact CG-CD1 4.13Å; D484-I498 WeakPolarHBondContact OD1-CA 3.36Å; I498-S500 VanDerWaalsContact C-N 3.32Å; I498-S500 PolarHBondContact O-N 2.88Å; I498-V501 PolarHBondContact N-O 3.27Å; I498-V501 PolarHBondContact O-N 3.15Å; I498-I503 HydrophobicContact CB-CG1 3.98Å; I498-I503 HydrophobicContact CD1-CB 4.25Å; I498-I503 HydrophobicContact CD1-CG1 3.96Å; I498-I503 HydrophobicContact CG1-CG1 4.03Å; I498-F505 HydrophobicContact CD1-CE2 3.81Å; I498-F505 HydrophobicContact CD1-CZ 3.67Å
499	Q	70.9	Confident	87.9	Confident	55 Å²	55	38.8 Å²	38.8	26%	0.257	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	49.3	-177.3	-60.5	-168	-54.4	0	0	113.1	Y392 D484 V501	Y392-Q499 HydrophobicContact CD1-CG 4.14Å; Y392-Q499 HydrophobicContact CE1-CG 3.94Å; Y392-Q499 PolarHBondContact OH-NE2 2.77Å; Y392-Q499 VanDerWaalsContact OH-NE2 3.09Å; D484-Q499 PolarHBondContact OD1-N 3.16Å; Q499-V501 PolarHBondContact O-N 3.45Å; Q499-V501 VanDerWaalsContact O-N 3.14Å
500	S	70.8	Confident	87.8	Confident	56 Å²	56	43 Å²	43	39%	0.392	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-0.8	-178.7	-41.8	0	0	0	0	115.9	C463 S481 I498	C463-S500 WeakPolarHBondContact CB-O 3.45Å; S481-S500 VanDerWaalsContact CB-OG 3.31Å; S481-S500 WeakPolarHBondContact CB-OG 3.46Å; S481-S500 WeakPolarHBondContact OG-CB 3.05Å; S481-S500 PolarHBondContact OG-OG 2.64Å; I498-S500 VanDerWaalsContact C-N 3.32Å; I498-S500 PolarHBondContact O-N 2.88Å
501	V	81.2	Confident	87.7	Confident	75 Å²	75	44.4 Å²	44.4	46%	0.455	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136	-179.1	-174.5	0	0	0	0	110	C497 I498 Q499 I503	C497-V501 CarbonylContact C-O 3.59Å; C497-V501 WeakPolarHBondContact CA-O 3.3Å; I498-V501 PolarHBondContact N-O 3.27Å; I498-V501 PolarHBondContact O-N 3.15Å; Q499-V501 PolarHBondContact O-N 3.45Å; Q499-V501 VanDerWaalsContact O-N 3.14Å; V501-I503 HydrophobicContact CB-CD1 4.19Å; V501-I503 HydrophobicContact CG1-CD1 3.79Å; V501-I503 PolarHBondContact O-N 2.88Å
502	C	91	Very high	87.7	Confident	50 Å²	50	45.9 Å²	45.9	34%	0.338	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.4	173.6	-177.6	0	0	0	0	110.1	P462 C463 C488	P462-C502 HydrophobicContact CG-CB 4.03Å; C463-C502 VanDerWaalsContact SG-CA 3.53Å; C463-C502 PolarHBondContact SG-N 3.43Å; C463-C502 VanDerWaalsContact SG-N 3.43Å; C488-C502 HydrophobicContact CB-CB 4.08Å; C488-C502 WeakPolarHBondContact CB-SG 2.92Å; C488-C502 WeakPolarHBondContact SG-CA 3.38Å; C488-C502 WeakPolarHBondContact SG-CB 3.35Å; C488-C502 CovalentContact SG-SG 2.03Å; C488-C502 PolarHBondContact SG-SG 2.88Å
503	I	92.3	Very high	87.8	Confident	15 Å²	15	44.1 Å²	44.1	8%	0.077	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.4	178	-53.5	-54.7	0	0	0	108.8	Y416 A495 R496 I498 V501 F505 V511	Y416-I503 HydrophobicContact CD1-CD1 4.47Å; Y416-I503 HydrophobicContact CD1-CG1 4.18Å; Y416-I503 HydrophobicContact CD2-CD1 3.85Å; Y416-I503 HydrophobicContact CD2-CG1 4.14Å; Y416-I503 HydrophobicContact CD2-CG2 4.17Å; Y416-I503 HydrophobicContact CE1-CD1 4.25Å; Y416-I503 HydrophobicContact CE1-CG1 4.32Å; Y416-I503 HydrophobicContact CE2-CD1 3.59Å; Y416-I503 HydrophobicContact CE2-CG1 4.28Å; Y416-I503 HydrophobicContact CG-CD1 4.28Å; Y416-I503 HydrophobicContact CG-CG1 4.08Å; Y416-I503 HydrophobicContact CG-CG2 4.22Å; A495-I503 CarbonylContact C-O 3.27Å; A495-I503 VanDerWaalsContact CA-O 3.29Å; A495-I503 WeakPolarHBondContact CA-O 2.75Å; R496-I503 PolarHBondContact N-O 3.3Å; R496-I503 PolarHBondContact O-N 2.98Å; I498-I503 HydrophobicContact CB-CG1 3.98Å; I498-I503 HydrophobicContact CD1-CB 4.25Å; I498-I503 HydrophobicContact CD1-CG1 3.96Å; I498-I503 HydrophobicContact CG1-CG1 4.03Å; V501-I503 HydrophobicContact CB-CD1 4.19Å; V501-I503 HydrophobicContact CG1-CD1 3.79Å; V501-I503 PolarHBondContact O-N 2.88Å; I503-F505 HydrophobicContact CB-CD2 4.37Å; I503-F505 HydrophobicContact CB-CE2 3.76Å; I503-F505 HydrophobicContact CB-CZ 4.32Å; I503-F505 HydrophobicContact CG2-CD2 4.14Å; I503-F505 HydrophobicContact CG2-CE1 4.41Å; I503-F505 HydrophobicContact CG2-CE2 3.59Å; I503-F505 HydrophobicContact CG2-CZ 3.75Å; I503-F505 WeakPolarHBondContact O-CD2 3.17Å; I503-F505 PolarHBondContact O-N 3.38Å; I503-V511 HydrophobicContact CG2-CG1 4.13Å; I503-V511 HydrophobicContact CG2-CG2 4.45Å
504	N	93.5	Very high	88.1	Confident	71 Å²	71	47.8 Å²	47.8	38%	0.38	27%	0.267	S	S	.	.			trans	-82.6	101.3	179.5	-171.1	30.7	0	0	0	109.6	N512	N504-N512 PolarHBondContact O-N 3.3Å
505	F	92.1	Very high	88.3	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.009	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-91.4	146.9	164.9	-60.1	-89.2	0	0	0	109.1	T390 L418 D494 R496 I498 I503 G509 Q510 V511	T390-F505 HydrophobicContact CG2-CE2 4.37Å; L418-F505 HydrophobicContact CD2-CD1 3.94Å; L418-F505 HydrophobicContact CD2-CD2 3.99Å; L418-F505 HydrophobicContact CD2-CE1 3.87Å; L418-F505 HydrophobicContact CD2-CE2 3.93Å; L418-F505 HydrophobicContact CD2-CG 3.99Å; L418-F505 HydrophobicContact CD2-CZ 3.87Å; L418-F505 HydrophobicContact CG-CD1 3.94Å; L418-F505 HydrophobicContact CG-CE1 4.02Å; L418-F505 HydrophobicContact CG-CG 4.33Å; D494-F505 WeakPolarHBondContact CB-O 3.48Å; D494-F505 WeakPolarHBondContact O-CB 2.92Å; R496-F505 HydrophobicContact CB-CD2 4.22Å; R496-F505 HydrophobicContact CB-CE2 4.18Å; I498-F505 HydrophobicContact CD1-CE2 3.81Å; I498-F505 HydrophobicContact CD1-CZ 3.67Å; I503-F505 HydrophobicContact CB-CD2 4.37Å; I503-F505 HydrophobicContact CB-CE2 3.76Å; I503-F505 HydrophobicContact CB-CZ 4.32Å; I503-F505 HydrophobicContact CG2-CD2 4.14Å; I503-F505 HydrophobicContact CG2-CE1 4.41Å; I503-F505 HydrophobicContact CG2-CE2 3.59Å; I503-F505 HydrophobicContact CG2-CZ 3.75Å; I503-F505 WeakPolarHBondContact O-CD2 3.17Å; I503-F505 PolarHBondContact O-N 3.38Å; F505-G509 WeakPolarHBondContact CD1-O 3.44Å; F505-Q510 WeakPolarHBondContact CA-O 3.36Å; F505-V511 HydrophobicContact CD1-CG2 3.85Å; F505-V511 HydrophobicContact CE1-CG2 3.41Å; F505-V511 VanDerWaalsContact CE1-CG2 3.41Å; F505-V511 HydrophobicContact CZ-CG2 4.16Å
506	D	92.4	Very high	88.3	Confident	9 Å²	9	56.6 Å²	56.6	5%	0.048	30%	0.3	C	S	.	.			trans	-83	176.1	167.5	85.3	-6.5	0	0	0	111.2	F508 G509 Q510 G513 T514 A515	D506-F508 PolarHBondContact O-N 2.92Å; D506-F508 VanDerWaalsContact O-N 3.11Å; D506-F508 WeakPolarHBondContact OD1-CA 3.41Å; D506-F508 PolarHBondContact OD1-N 3.36Å; D506-G509 PolarHBondContact O-N 3.33Å; D506-G509 PolarHBondContact OD1-N 3.38Å; D506-Q510 PolarHBondContact N-O 3.48Å; D506-Q510 PolarHBondContact OD1-N 3.41Å; D506-G513 VanDerWaalsContact CB-C 3.4Å; D506-G513 WeakPolarHBondContact CB-O 3.26Å; D506-G513 WeakPolarHBondContact OD2-CA 3.35Å; D506-T514 PolarHBondContact OD2-N 2.97Å; D506-A515 HydrophobicContact CB-CB 4.05Å; D506-A515 WeakPolarHBondContact CB-O 3.37Å; D506-A515 WeakPolarHBondContact OD2-CB 3.47Å; D506-A515 PolarHBondContact OD2-N 3.39Å; D506-A515 VanDerWaalsContact OD2-N 3.1Å
507	C	90.6	Very high	88.3	Confident	14 Å²	14	59.5 Å²	59.5	10%	0.095	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.4	-176.5	62.8	0	0	0	0	115.2	A515 R516 R517 C523	C507-A515 PolarHBondContact N-O 3.41Å; C507-A515 VanDerWaalsContact N-O 3.13Å; C507-A515 WeakPolarHBondContact SG-CB 3.36Å; C507-A515 PolarHBondContact SG-O 3.13Å; C507-R516 PolarHBondContact SG-N 2.86Å; C507-R516 VanDerWaalsContact SG-N 3.39Å; C507-R516 PolarHBondContact SG-O 3.17Å; C507-R517 VanDerWaalsContact CA-NH1 3.34Å; C507-R517 HydrophobicContact CB-CG 3.95Å; C507-C523 HydrophobicContact CB-CB 3.54Å; C507-C523 WeakPolarHBondContact CB-SG 3.4Å; C507-C523 WeakPolarHBondContact SG-CA 3.47Å; C507-C523 WeakPolarHBondContact SG-CB 3.16Å; C507-C523 CovalentContact SG-SG 2.01Å; C507-C523 PolarHBondContact SG-SG 3.12Å
508	F	89.3	Confident	88.3	Confident	146 Å²	146	60.1 Å²	60.1	64%	0.64	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0.8	170.7	-67.5	-54.7	0	0	0	112.8	D506 A515 C523 Q524	D506-F508 PolarHBondContact O-N 2.92Å; D506-F508 VanDerWaalsContact O-N 3.11Å; D506-F508 WeakPolarHBondContact OD1-CA 3.41Å; D506-F508 PolarHBondContact OD1-N 3.36Å; F508-A515 HydrophobicContact CD2-CB 3.39Å; F508-A515 HydrophobicContact CE2-CB 3.74Å; F508-A515 HydrophobicContact CG-CB 4.32Å; F508-C523 HydrophobicContact CD1-CB 4.38Å; F508-C523 WeakPolarHBondContact CD1-SG 3.36Å; F508-C523 HydrophobicContact CE1-CB 4.02Å; F508-C523 WeakPolarHBondContact CE1-SG 3.1Å; F508-C523 VanDerWaalsContact CE2-SG 3.58Å; F508-C523 VanDerWaalsContact CG-SG 3.56Å; F508-C523 HydrophobicContact CZ-CB 4.33Å; F508-C523 WeakPolarHBondContact CZ-SG 3.47Å; F508-Q524 HydrophobicContact CE2-CB 4.41Å; F508-Q524 HydrophobicContact CE2-CG 3.7Å; F508-Q524 HydrophobicContact CZ-CB 4.23Å; F508-Q524 HydrophobicContact CZ-CG 4.02Å
509	G	88	Confident	88.7	Confident	22 Å²	22	64.6 Å²	64.6	23%	0.227	34%	0.335	C	S	.	.	S	Bend	trans	84.6	13.7	179.5	0	0	0	0	0	114.3	L418 F505 D506	L418-G509 VanDerWaalsContact CD1-CA 3.48Å; F505-G509 WeakPolarHBondContact CD1-O 3.44Å; D506-G509 PolarHBondContact O-N 3.33Å; D506-G509 PolarHBondContact OD1-N 3.38Å
510	Q	90.2	Very high	89.6	Confident	127 Å²	127	62.5 Å²	62.5	59%	0.593	33%	0.327	S	S	*	.			trans	-82.9	127.9	176.1	-172.2	173.5	34.6	0	0	110.5	F505 D506 N512 G513	F505-Q510 WeakPolarHBondContact CA-O 3.36Å; D506-Q510 PolarHBondContact N-O 3.48Å; D506-Q510 PolarHBondContact OD1-N 3.41Å; Q510-N512 PolarHBondContact O-N 3.33Å; Q510-G513 PolarHBondContact O-N 3.43Å
511	V	89.6	Confident	90.4	Very high	50 Å²	50	60.9 Å²	60.9	30%	0.303	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-61.8	127.6	173.5	-179.7	0	0	0	0	109.6	Y416 I503 F505 G513	Y416-V511 WeakPolarHBondContact O-CG2 2.95Å; I503-V511 HydrophobicContact CG2-CG1 4.13Å; I503-V511 HydrophobicContact CG2-CG2 4.45Å; F505-V511 HydrophobicContact CD1-CG2 3.85Å; F505-V511 HydrophobicContact CE1-CG2 3.41Å; F505-V511 VanDerWaalsContact CE1-CG2 3.41Å; F505-V511 HydrophobicContact CZ-CG2 4.16Å; V511-G513 PolarHBondContact O-N 3.34Å; V511-G513 VanDerWaalsContact O-N 3.09Å
512	N	87.7	Confident	90.8	Very high	122 Å²	122	60 Å²	60	65%	0.652	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	21.7	-174.6	-60.1	-33	0	0	0	113.9	N504 Q510	N504-N512 PolarHBondContact O-N 3.3Å; Q510-N512 PolarHBondContact O-N 3.33Å
513	G	89.5	Confident	90.8	Very high	13 Å²	13	59 Å²	59	13%	0.134	31%	0.306	C	S	.	.			trans	-65.5	164.3	171.9	0	0	0	0	0	111.5	D506 Q510 V511	D506-G513 VanDerWaalsContact CB-C 3.4Å; D506-G513 WeakPolarHBondContact CB-O 3.26Å; D506-G513 WeakPolarHBondContact OD2-CA 3.35Å; Q510-G513 PolarHBondContact O-N 3.43Å; V511-G513 PolarHBondContact O-N 3.34Å; V511-G513 VanDerWaalsContact O-N 3.09Å
514	T	93.5	Very high	90.8	Very high	125 Å²	125	64 Å²	64	77%	0.767	33%	0.329	S	S	*	.			trans	-105.9	0.6	-177.4	58.2	0	0	0	0	112.9	D506 R516	D506-T514 PolarHBondContact OD2-N 2.97Å; T514-R516 PolarHBondContact O-N 3.46Å
515	A	93.4	Very high	90.7	Very high	9 Å²	9	61.8 Å²	61.8	7%	0.074	32%	0.324	C	S	.	.			trans	-69.6	131.2	-178.4	0	0	0	0	0	112.5	D506 C507 F508 Q524	D506-A515 HydrophobicContact CB-CB 4.05Å; D506-A515 WeakPolarHBondContact CB-O 3.37Å; D506-A515 WeakPolarHBondContact OD2-CB 3.47Å; D506-A515 PolarHBondContact OD2-N 3.39Å; D506-A515 VanDerWaalsContact OD2-N 3.1Å; C507-A515 PolarHBondContact N-O 3.41Å; C507-A515 VanDerWaalsContact N-O 3.13Å; C507-A515 WeakPolarHBondContact SG-CB 3.36Å; C507-A515 PolarHBondContact SG-O 3.13Å; F508-A515 HydrophobicContact CD2-CB 3.39Å; F508-A515 HydrophobicContact CE2-CB 3.74Å; F508-A515 HydrophobicContact CG-CB 4.32Å; A515-Q524 VanDerWaalsContact CA-NE2 3.34Å; A515-Q524 HydrophobicContact CB-CG 4.13Å
516	R	92.2	Very high	90.8	Very high	200 Å²	200	67.5 Å²	67.5	76%	0.755	36%	0.355	S	S	*	.			trans	-122	148.7	-177.9	-64.6	-175.9	180	-173.9	-0.8	111.1	C507 T514 Q524	C507-R516 PolarHBondContact SG-N 2.86Å; C507-R516 VanDerWaalsContact SG-N 3.39Å; C507-R516 PolarHBondContact SG-O 3.17Å; T514-R516 PolarHBondContact O-N 3.46Å; R516-Q524 PolarHBondContact O-N 3.43Å
517	R	91.4	Very high	90.9	Very high	88 Å²	88	71 Å²	71	33%	0.332	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-71.5	144.3	167	-75.2	175.7	175.1	65.6	-5.7	110.4	D494 C507 G521 V522	D494-R517 IonicContact OD1-CZ 2.79Å; D494-R517 IonicContact OD1-NH1 3.64Å; D494-R517 PolarHBondContact OD1-NH1 3.37Å; D494-R517 IonicContact OD1-NH2 2.95Å; D494-R517 PolarHBondContact OD1-NH2 3.47Å; D494-R517 VanDerWaalsContact OD1-NH2 3.09Å; D494-R517 IonicContact OD2-CZ 2.68Å; D494-R517 IonicContact OD2-NH1 2.75Å; D494-R517 PolarHBondContact OD2-NH1 3.22Å; C507-R517 VanDerWaalsContact CA-NH1 3.34Å; C507-R517 HydrophobicContact CB-CG 3.95Å; R517-G521 VanDerWaalsContact CD-O 3.25Å; R517-G521 WeakPolarHBondContact CD-O 3.23Å; R517-G521 WeakPolarHBondContact CG-O 3.2Å; R517-G521 PolarHBondContact NE-O 3.28Å; R517-V522 WeakPolarHBondContact CA-O 3.47Å
518	D	91.9	Very high	91	Very high	14 Å²	14	73.8 Å²	73.8	8%	0.075	39%	0.393	C	S	.	.			trans	-76.7	-176.6	168.7	79.3	-8.4	0	0	0	111.4	C520 G521 V522 G525 N526 N527 R558	D518-C520 PolarHBondContact O-N 3.22Å; D518-C520 WeakPolarHBondContact OD1-CA 3.35Å; D518-C520 VanDerWaalsContact OD1-CB 3.26Å; D518-C520 WeakPolarHBondContact OD1-CB 2.88Å; D518-C520 PolarHBondContact OD1-N 2.82Å; D518-G521 PolarHBondContact O-N 3.32Å; D518-G521 VanDerWaalsContact O-N 3.15Å; D518-G521 PolarHBondContact OD1-N 2.76Å; D518-V522 PolarHBondContact N-O 3.04Å; D518-V522 PolarHBondContact OD1-N 3.47Å; D518-G525 WeakPolarHBondContact CB-O 3.41Å; D518-G525 VanDerWaalsContact OD2-C 3.23Å; D518-G525 VanDerWaalsContact OD2-CA 3.25Å; D518-G525 WeakPolarHBondContact OD2-CA 3.42Å; D518-N526 PolarHBondContact OD2-N 2.96Å; D518-N527 WeakPolarHBondContact CB-OD1 3.14Å; D518-N527 WeakPolarHBondContact OD2-CA 3.13Å; D518-N527 PolarHBondContact OD2-N 3.23Å; D518-R558 PolarHBondContact O-NH1 3.22Å; D518-R558 VanDerWaalsContact O-NH1 3.09Å
519	Q	91.5	Very high	91.1	Very high	94 Å²	94	69.9 Å²	69.9	44%	0.439	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.2	179.4	-58.1	-64.2	-53.8	0	0	112.1	N527 R558 H559 V654	Q519-N527 VanDerWaalsContact CB-OD1 3.26Å; Q519-N527 WeakPolarHBondContact CB-OD1 3.4Å; Q519-N527 VanDerWaalsContact CG-OD1 3.28Å; Q519-N527 WeakPolarHBondContact CG-OD1 3.25Å; Q519-N527 PolarHBondContact N-OD1 3.37Å; Q519-R558 VanDerWaalsContact C-NH1 3.29Å; Q519-R558 PolarHBondContact O-NH1 3.25Å; Q519-H559 PolarHBondContact O-CD2 3.49Å; Q519-H559 PolarHBondContact O-NE2 3.43Å; Q519-H559 PolarHBondContact OE1-CD2 2.76Å; Q519-H559 PolarHBondContact OE1-NE2 3.01Å; Q519-V654 HydrophobicContact CB-CG2 4.38Å
520	C	90	Very high	91.4	Very high	11 Å²	11	69.5 Å²	69.5	7%	0.074	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-24.5	177.2	-47.9	0	0	0	0	112.6	D518 V522 N527 T529 C530 R558	D518-C520 PolarHBondContact O-N 3.22Å; D518-C520 WeakPolarHBondContact OD1-CA 3.35Å; D518-C520 VanDerWaalsContact OD1-CB 3.26Å; D518-C520 WeakPolarHBondContact OD1-CB 2.88Å; D518-C520 PolarHBondContact OD1-N 2.82Å; C520-V522 HydrophobicContact CB-CG2 4.35Å; C520-N527 VanDerWaalsContact SG-C 3.53Å; C520-N527 VanDerWaalsContact SG-CA 3.51Å; C520-T529 VanDerWaalsContact CB-OG1 3.23Å; C520-T529 WeakPolarHBondContact CB-OG1 3.16Å; C520-T529 PolarHBondContact SG-OG1 3.14Å; C520-T529 VanDerWaalsContact SG-OG1 3.42Å; C520-C530 WeakPolarHBondContact CA-SG 3.26Å; C520-C530 HydrophobicContact CB-CB 3.5Å; C520-C530 WeakPolarHBondContact CB-SG 3.49Å; C520-C530 PolarHBondContact N-SG 2.95Å; C520-C530 WeakPolarHBondContact SG-CB 3.35Å; C520-C530 PolarHBondContact SG-N 3.48Å; C520-C530 CovalentContact SG-SG 2.02Å; C520-C530 PolarHBondContact SG-SG 3.26Å; C520-R558 WeakPolarHBondContact O-CD 3.07Å
521	G	87.2	Confident	91.6	Very high	22 Å²	22	66.2 Å²	66.2	23%	0.227	36%	0.363	C	S	.	.	S	Bend	trans	105.1	8.3	-178.7	0	0	0	0	0	113	R517 D518 R558	R517-G521 VanDerWaalsContact CD-O 3.25Å; R517-G521 WeakPolarHBondContact CD-O 3.23Å; R517-G521 WeakPolarHBondContact CG-O 3.2Å; R517-G521 PolarHBondContact NE-O 3.28Å; D518-G521 PolarHBondContact O-N 3.32Å; D518-G521 VanDerWaalsContact O-N 3.15Å; D518-G521 PolarHBondContact OD1-N 2.76Å; G521-R558 VanDerWaalsContact CA-CZ 3.44Å
522	V	89.8	Confident	91.9	Very high	55 Å²	55	70.1 Å²	70.1	33%	0.333	38%	0.376	S	S	.	.			trans	-88.1	129.4	179.9	-179	0	0	0	0	109.1	R517 D518 C520 Q524 G525 T529	R517-V522 WeakPolarHBondContact CA-O 3.47Å; D518-V522 PolarHBondContact N-O 3.04Å; D518-V522 PolarHBondContact OD1-N 3.47Å; C520-V522 HydrophobicContact CB-CG2 4.35Å; V522-Q524 PolarHBondContact O-N 3.21Å; V522-G525 PolarHBondContact O-N 3.4Å; V522-T529 WeakPolarHBondContact CG2-OG1 3.49Å
523	C	90.8	Very high	92.3	Very high	29 Å²	29	66.3 Å²	66.3	20%	0.196	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-63.6	124.9	177.3	-174.7	0	0	0	0	110.5	C507 F508 G525	C507-C523 HydrophobicContact CB-CB 3.54Å; C507-C523 WeakPolarHBondContact CB-SG 3.4Å; C507-C523 WeakPolarHBondContact SG-CA 3.47Å; C507-C523 WeakPolarHBondContact SG-CB 3.16Å; C507-C523 CovalentContact SG-SG 2.01Å; C507-C523 PolarHBondContact SG-SG 3.12Å; F508-C523 HydrophobicContact CD1-CB 4.38Å; F508-C523 WeakPolarHBondContact CD1-SG 3.36Å; F508-C523 HydrophobicContact CE1-CB 4.02Å; F508-C523 WeakPolarHBondContact CE1-SG 3.1Å; F508-C523 VanDerWaalsContact CE2-SG 3.58Å; F508-C523 VanDerWaalsContact CG-SG 3.56Å; F508-C523 HydrophobicContact CZ-CB 4.33Å; F508-C523 WeakPolarHBondContact CZ-SG 3.47Å; C523-G525 PolarHBondContact O-N 3.21Å; C523-G525 VanDerWaalsContact O-N 3.12Å
524	Q	92.8	Very high	92.6	Very high	120 Å²	120	71.1 Å²	71.1	56%	0.561	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	28.2	-172.2	-67.8	-68.4	-19	0	0	113.6	F508 A515 R516 V522	F508-Q524 HydrophobicContact CE2-CB 4.41Å; F508-Q524 HydrophobicContact CE2-CG 3.7Å; F508-Q524 HydrophobicContact CZ-CB 4.23Å; F508-Q524 HydrophobicContact CZ-CG 4.02Å; A515-Q524 VanDerWaalsContact CA-NE2 3.34Å; A515-Q524 HydrophobicContact CB-CG 4.13Å; R516-Q524 PolarHBondContact O-N 3.43Å; V522-Q524 PolarHBondContact O-N 3.21Å
525	G	91.3	Very high	92.6	Very high	26 Å²	26	69.1 Å²	69.1	27%	0.268	36%	0.357	S	S	.	.			trans	-69	165.2	176.2	0	0	0	0	0	112.4	D518 V522 C523	D518-G525 WeakPolarHBondContact CB-O 3.41Å; D518-G525 VanDerWaalsContact OD2-C 3.23Å; D518-G525 VanDerWaalsContact OD2-CA 3.25Å; D518-G525 WeakPolarHBondContact OD2-CA 3.42Å; V522-G525 PolarHBondContact O-N 3.4Å; C523-G525 PolarHBondContact O-N 3.21Å; C523-G525 VanDerWaalsContact O-N 3.12Å
526	N	94.2	Very high	92.7	Very high	122 Å²	122	75.9 Å²	75.9	65%	0.652	38%	0.38	S	S	*	.			trans	-111.4	18.3	-177.7	63.6	0.7	0	0	0	112.8	D518 S528	D518-N526 PolarHBondContact OD2-N 2.96Å; N526-S528 VanDerWaalsContact C-N 3.25Å; N526-S528 PolarHBondContact O-N 3.17Å; N526-S528 WeakPolarHBondContact OD1-CB 3.38Å; N526-S528 PolarHBondContact OD1-N 2.91Å; N526-S528 PolarHBondContact OD1-OG 3.37Å
527	N	93.2	Very high	92.7	Very high	81 Å²	81	66.6 Å²	66.6	43%	0.433	35%	0.346	S	S	.	.	S	Bend	trans	65	15.9	-176.5	-52.4	-56.5	0	0	0	115.7	D518 Q519 C520	D518-N527 WeakPolarHBondContact CB-OD1 3.14Å; D518-N527 WeakPolarHBondContact OD2-CA 3.13Å; D518-N527 PolarHBondContact OD2-N 3.23Å; Q519-N527 VanDerWaalsContact CB-OD1 3.26Å; Q519-N527 WeakPolarHBondContact CB-OD1 3.4Å; Q519-N527 VanDerWaalsContact CG-OD1 3.28Å; Q519-N527 WeakPolarHBondContact CG-OD1 3.25Å; Q519-N527 PolarHBondContact N-OD1 3.37Å; C520-N527 VanDerWaalsContact SG-C 3.53Å; C520-N527 VanDerWaalsContact SG-CA 3.51Å
528	S	93	Very high	92.7	Very high	73 Å²	73	68.4 Å²	68.4	51%	0.51	36%	0.358	S	S	.	.			trans	-87.2	-15.4	-177.2	65.7	0	0	0	0	114.8	N526 C530	N526-S528 VanDerWaalsContact C-N 3.25Å; N526-S528 PolarHBondContact O-N 3.17Å; N526-S528 WeakPolarHBondContact OD1-CB 3.38Å; N526-S528 PolarHBondContact OD1-N 2.91Å; N526-S528 PolarHBondContact OD1-OG 3.37Å; S528-C530 VanDerWaalsContact C-N 3.33Å
529	T	91.6	Very high	92.4	Very high	64 Å²	64	73.3 Å²	73.3	39%	0.393	38%	0.375	S	S	.	.	S	Bend	trans	-92.5	9.4	-175.7	55	0	0	0	0	113.6	C520 V522 L657	C520-T529 VanDerWaalsContact CB-OG1 3.23Å; C520-T529 WeakPolarHBondContact CB-OG1 3.16Å; C520-T529 PolarHBondContact SG-OG1 3.14Å; C520-T529 VanDerWaalsContact SG-OG1 3.42Å; V522-T529 WeakPolarHBondContact CG2-OG1 3.49Å; T529-L657 PolarHBondContact O-N 3.48Å
530	C	93.8	Very high	92	Very high	15 Å²	15	73 Å²	73	10%	0.101	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.5	179.4	61.2	0	0	0	0	111	C520 S528 V654 L655	C520-C530 WeakPolarHBondContact CA-SG 3.26Å; C520-C530 HydrophobicContact CB-CB 3.5Å; C520-C530 WeakPolarHBondContact CB-SG 3.49Å; C520-C530 PolarHBondContact N-SG 2.95Å; C520-C530 WeakPolarHBondContact SG-CB 3.35Å; C520-C530 PolarHBondContact SG-N 3.48Å; C520-C530 CovalentContact SG-SG 2.02Å; C520-C530 PolarHBondContact SG-SG 3.26Å; S528-C530 VanDerWaalsContact C-N 3.33Å; C530-V654 HydrophobicContact CB-CG1 3.53Å; C530-V654 WeakPolarHBondContact SG-CG1 3Å; C530-L655 CarbonylContact C-O 3.51Å; C530-L655 VanDerWaalsContact CA-O 3.23Å; C530-L655 WeakPolarHBondContact CA-O 3.46Å; C530-L655 VanDerWaalsContact CB-O 3.29Å; C530-L655 WeakPolarHBondContact CB-O 3.33Å
531	T	95.3	Very high	91.6	Very high	57 Å²	57	73 Å²	73	35%	0.35	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.4	174.6	50.2	0	0	0	0	110.7	V654 L655 L657	T531-V654 CarbonylContact O-C 3.57Å; T531-V654 WeakPolarHBondContact O-CA 3.3Å; T531-L655 PolarHBondContact N-O 2.74Å; T531-L655 PolarHBondContact O-N 3.36Å; T531-L655 PolarHBondContact OG1-O 2.93Å; T531-L657 HydrophobicContact CG2-CD1 4.2Å; T531-L657 HydrophobicContact CG2-CD2 3.39Å; T531-L657 HydrophobicContact CG2-CG 3.9Å
532	F	95.4	Very high	91	Very high	132 Å²	132	74.6 Å²	74.6	58%	0.579	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.5	168.8	-179.8	-105.2	0	0	0	109.2	Q534 V654	F532-Q534 HydrophobicContact CD1-CB 4.45Å; F532-Q534 HydrophobicContact CE1-CB 3.73Å; F532-Q534 HydrophobicContact CE1-CG 4.47Å; F532-Q534 HydrophobicContact CZ-CB 4.22Å; F532-V654 HydrophobicContact CD2-CG2 4.09Å
533	I	96.1	Very high	90	Very high	42 Å²	42	74.5 Å²	74.5	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.1	179.3	-61.6	175	0	0	0	107.4	S652 Y653 L655	I533-S652 CarbonylContact O-C 3.55Å; I533-S652 WeakPolarHBondContact O-CA 3.26Å; I533-Y653 HydrophobicContact CB-CD1 4.36Å; I533-Y653 HydrophobicContact CB-CD2 4.43Å; I533-Y653 HydrophobicContact CB-CE1 3.97Å; I533-Y653 HydrophobicContact CB-CE2 4.09Å; I533-Y653 HydrophobicContact CD1-CD2 4.44Å; I533-Y653 HydrophobicContact CD1-CE2 3.57Å; I533-Y653 HydrophobicContact CG1-CE2 4.31Å; I533-Y653 HydrophobicContact CG2-CD1 4.43Å; I533-Y653 HydrophobicContact CG2-CE1 3.68Å; I533-Y653 HydrophobicContact CG2-CE2 4.44Å; I533-Y653 PolarHBondContact N-O 3.42Å; I533-Y653 PolarHBondContact O-N 3.15Å; I533-L655 HydrophobicContact CD1-CB 3.82Å; I533-L655 HydrophobicContact CD1-CD2 3.89Å
534	Q	96.4	Very high	88.8	Confident	114 Å²	114	78.7 Å²	78.7	53%	0.533	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.9	174.2	-173.2	177.9	0.1	0	0	109.3	F532 E650 I651	F532-Q534 HydrophobicContact CD1-CB 4.45Å; F532-Q534 HydrophobicContact CE1-CB 3.73Å; F532-Q534 HydrophobicContact CE1-CG 4.47Å; F532-Q534 HydrophobicContact CZ-CB 4.22Å; Q534-E650 PolarHBondContact NE2-OE1 2.94Å; Q534-I651 CarbonylContact C-O 3.56Å; Q534-I651 VanDerWaalsContact CA-O 3.31Å; Q534-I651 WeakPolarHBondContact CA-O 3.38Å
535	H	94.2	Very high	87.5	Confident	84 Å²	84	76 Å²	76	39%	0.389	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.6	-178.2	-165	59.2	0	0	0	110	I537 Y551 E650 I651	H535-I537 WeakPolarHBondContact CD2-CG1 3.13Å; H535-Y551 HydrophobicContact CB-CE2 4.36Å; H535-Y551 AromaticContact CD2-CD2 3.76Å; H535-Y551 AromaticContact CD2-CE2 3.81Å; H535-E650 WeakPolarHBondContact O-CA 3.28Å; H535-I651 PolarHBondContact N-O 3.13Å; H535-I651 PolarHBondContact O-N 3.11Å
536	R	95.2	Very high	87.1	Confident	150 Å²	150	82.9 Å²	82.9	57%	0.566	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	126.7	173.5	-171.9	176.2	-176.3	169.2	-0.7	109	D648 V649	R536-D648 WeakPolarHBondContact CG-OD1 3.34Å; R536-D648 IonicContact CZ-OD1 3Å; R536-D648 IonicContact CZ-OD2 2.63Å; R536-D648 IonicContact NE-OD1 3.76Å; R536-D648 PolarHBondContact NE-OD1 3.47Å; R536-D648 IonicContact NE-OD2 3.13Å; R536-D648 PolarHBondContact NE-OD2 3.1Å; R536-D648 IonicContact NH2-OD1 2.62Å; R536-D648 IonicContact NH2-OD2 2.6Å; R536-D648 PolarHBondContact NH2-OD2 3.05Å; R536-V649 CarbonylContact C-O 3.55Å; R536-V649 WeakPolarHBondContact CA-O 3.4Å
537	I	92.6	Very high	86.7	Confident	6 Å²	6	78.6 Å²	78.6	3%	0.031	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.3	-178.7	-58.4	176.9	0	0	0	107.5	H535 R539 L550 Y551 D648 V649 I651	H535-I537 WeakPolarHBondContact CD2-CG1 3.13Å; I537-R539 HydrophobicContact CG2-CB 4.5Å; I537-R539 HydrophobicContact CG2-CG 3.79Å; I537-L550 HydrophobicContact CD1-CB 3.99Å; I537-Y551 HydrophobicContact CD1-CD2 4.4Å; I537-D648 WeakPolarHBondContact O-CA 3.3Å; I537-V649 PolarHBondContact N-O 2.03Å; I537-V649 PolarHBondContact O-N 3.35Å; I537-I651 HydrophobicContact CD1-CD1 3.98Å
538	Q	91.3	Very high	86.5	Confident	125 Å²	125	80.4 Å²	80.4	58%	0.584	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.6	168.7	-71.5	-179.8	-32.5	0	0	108.8	L647 D648	Q538-L647 CarbonylContact C-O 3.58Å; Q538-L647 VanDerWaalsContact CA-O 3.23Å; Q538-L647 WeakPolarHBondContact CA-O 3.31Å; Q538-D648 HydrophobicContact CG-CB 4.27Å; Q538-D648 WeakPolarHBondContact CG-OD1 3.47Å; Q538-D648 PolarHBondContact NE2-OD2 3.12Å
539	R	85	Confident	86.3	Confident	118 Å²	118	81.3 Å²	81.3	45%	0.445	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.7	-177.6	-73.9	-172.2	-177.6	174.8	4.3	111.5	I537 L647	I537-R539 HydrophobicContact CG2-CB 4.5Å; I537-R539 HydrophobicContact CG2-CG 3.79Å; R539-L647 PolarHBondContact N-O 3.49Å; R539-L647 WeakPolarHBondContact O-CB 3.34Å; R539-L647 PolarHBondContact O-N 3.05Å
540	V	83	Confident	86.3	Confident	87 Å²	87	78.9 Å²	78.9	53%	0.527	37%	0.373	S	S	.	.			trans	-94.1	112.4	165.5	171.1	0	0	0	0	107.3	L644 P646	V540-L644 HydrophobicContact CG1-CB 3.69Å; V540-L644 HydrophobicContact CG1-CD1 3.51Å; V540-L644 HydrophobicContact CG1-CD2 4.45Å; V540-L644 HydrophobicContact CG1-CG 4.07Å; V540-P646 HydrophobicContact CG2-CB 4.43Å
541	L	81.3	Confident	86.3	Confident	11 Å²	11	80.8 Å²	80.8	6%	0.058	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-91.4	131.4	179	-67.1	180	0	0	0	110	A635 N637 L644 L647	L541-A635 HydrophobicContact CD1-CB 3.78Å; L541-N637 HydrophobicContact CB-CB 4.1Å; L541-N637 PolarHBondContact O-ND2 2.98Å; L541-L644 VanDerWaalsContact O-CD2 3.25Å; L541-L644 WeakPolarHBondContact O-CD2 3.02Å; L541-L647 HydrophobicContact CD1-CD2 3.75Å; L541-L647 HydrophobicContact CG-CD2 4.42Å
542	P	73.7	Confident	86.3	Confident	55 Å²	55	80.9 Å²	80.9	36%	0.357	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-57.9	154.8	177.2	-19.4	30.7	0	0	0	112.5	E545	P542-E545 HydrophobicContact CB-CG 4.21Å; P542-E545 WeakPolarHBondContact CB-OE2 3.47Å; P542-E545 WeakPolarHBondContact CD-OE2 3.39Å; P542-E545 VanDerWaalsContact CG-OE2 3.23Å; P542-E545 WeakPolarHBondContact CG-OE2 3.42Å
543	L	70.9	Confident	86.2	Confident	53 Å²	53	74.6 Å²	74.6	28%	0.277	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	144.9	177.2	-67.6	162.3	0	0	0	111.2	E545 N639 H641 E642 L644	L543-E545 VanDerWaalsContact C-N 3.26Å; L543-E545 PolarHBondContact O-N 3.35Å; L543-N639 HydrophobicContact CD2-CB 3.64Å; L543-N639 WeakPolarHBondContact CD2-O 3.1Å; L543-H641 WeakPolarHBondContact CD2-O 3.49Å; L543-E642 HydrophobicContact CD1-CG 4.42Å; L543-L644 HydrophobicContact CD2-CD2 4.23Å; L543-L644 HydrophobicContact CG-CD2 4.15Å
544	N	65.1	Low	86	Confident	117 Å²	117	74.5 Å²	74.5	63%	0.626	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	24	169.7	-68.7	-26.8	0	0	0	117
545	E	65.8	Low	85.6	Confident	65 Å²	65	74.5 Å²	74.5	30%	0.304	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-89.6	157.3	174.5	-71.2	-174.3	149.1	0	0	113	P542 L543 R548 R636	P542-E545 HydrophobicContact CB-CG 4.21Å; P542-E545 WeakPolarHBondContact CB-OE2 3.47Å; P542-E545 WeakPolarHBondContact CD-OE2 3.39Å; P542-E545 VanDerWaalsContact CG-OE2 3.23Å; P542-E545 WeakPolarHBondContact CG-OE2 3.42Å; L543-E545 VanDerWaalsContact C-N 3.26Å; L543-E545 PolarHBondContact O-N 3.35Å; E545-R548 IonicContact OE1-CZ 2.92Å; E545-R548 IonicContact OE1-NH2 2.73Å; E545-R548 PolarHBondContact OE1-NH2 2.56Å; E545-R548 IonicContact OE2-CZ 3.2Å; E545-R548 IonicContact OE2-NE 2.83Å; E545-R548 PolarHBondContact OE2-NE 3.45Å; E545-R548 IonicContact OE2-NH2 2.73Å; E545-R548 PolarHBondContact OE2-NH2 3.03Å; E545-R636 WeakPolarHBondContact O-CG 2.97Å; E545-R636 PolarHBondContact O-NE 2.84Å
546	E	81.1	Confident	85.4	Confident	169 Å²	169	74.4 Å²	74.4	79%	0.79	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-57.8	166.2	169.7	-61.5	-179.6	164.1	0	0	111.1	R548	E546-R548 PolarHBondContact O-N 2.89Å; E546-R548 VanDerWaalsContact O-N 3.13Å
547	Y	87.7	Confident	85.3	Confident	32 Å²	32	67.2 Å²	67.2	13%	0.125	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-55.1	122.1	172.8	-83.7	-87.3	0	0	0	110.3	V570 F581 G585 D586 Q634 R636	Y547-V570 HydrophobicContact CE1-CG2 4.22Å; Y547-F581 HydrophobicContact CD1-CE1 4.18Å; Y547-F581 HydrophobicContact CD1-CZ 4.27Å; Y547-F581 HydrophobicContact CD2-CE1 4.47Å; Y547-F581 HydrophobicContact CD2-CE2 4.43Å; Y547-F581 AromaticContact CD2-CZ 4Å; Y547-F581 HydrophobicContact CD2-CZ 4Å; Y547-F581 HydrophobicContact CG-CE1 4.07Å; Y547-F581 AromaticContact CG-CZ 3.7Å; Y547-F581 HydrophobicContact CG-CZ 3.7Å; Y547-G585 PolarHBondContact OH-N 3.23Å; Y547-D586 VanDerWaalsContact OH-CG 3.24Å; Y547-D586 PolarHBondContact OH-OD1 2.03Å; Y547-Q634 HydrophobicContact CD1-CB 4.01Å; Y547-Q634 HydrophobicContact CG-CB 4.47Å; Y547-Q634 PolarHBondContact O-OE1 3.5Å; Y547-R636 HydrophobicContact CD1-CB 3.92Å; Y547-R636 HydrophobicContact CD2-CB 4.28Å; Y547-R636 HydrophobicContact CE1-CB 3.97Å; Y547-R636 HydrophobicContact CE2-CB 4.34Å; Y547-R636 HydrophobicContact CG-CB 4.08Å
548	R	87.8	Confident	85.3	Confident	119 Å²	119	68.2 Å²	68.2	45%	0.449	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.9	176.6	-73.7	-169.7	174.2	-127.8	6.5	110.4	E545 E546 L550 Q634 A635	E545-R548 IonicContact OE1-CZ 2.92Å; E545-R548 IonicContact OE1-NH2 2.73Å; E545-R548 PolarHBondContact OE1-NH2 2.56Å; E545-R548 IonicContact OE2-CZ 3.2Å; E545-R548 IonicContact OE2-NE 2.83Å; E545-R548 PolarHBondContact OE2-NE 3.45Å; E545-R548 IonicContact OE2-NH2 2.73Å; E545-R548 PolarHBondContact OE2-NH2 3.03Å; E546-R548 PolarHBondContact O-N 2.89Å; E546-R548 VanDerWaalsContact O-N 3.13Å; R548-L550 PolarHBondContact O-N 3.46Å; R548-Q634 CarbonylContact O-C 3.51Å; R548-Q634 WeakPolarHBondContact O-CA 3.37Å; R548-Q634 WeakPolarHBondContact O-CB 3.39Å; R548-A635 PolarHBondContact N-O 2.78Å; R548-A635 PolarHBondContact O-N 2.04Å
549	M	89.2	Confident	85.4	Confident	92 Å²	92	66 Å²	66	45%	0.453	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	127	173.8	-169.7	179.4	-69	0	0	111.1	V552 M576 A632	M549-V552 HydrophobicContact CG-CG2 4.4Å; M549-V552 HydrophobicContact SD-CG2 3.65Å; M549-M576 HydrophobicContact CE-SD 3.93Å; M549-A632 HydrophobicContact CE-CB 3.94Å; M549-A632 HydrophobicContact CG-CB 4.39Å
550	L	91.6	Very high	85.9	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.068	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-47	176.9	-63.1	-176.2	0	0	0	111.6	I537 R548 L571 I633 A635 L647 V649	I537-L550 HydrophobicContact CD1-CB 3.99Å; R548-L550 PolarHBondContact O-N 3.46Å; L550-L571 HydrophobicContact CD1-CD2 4.2Å; L550-I633 WeakPolarHBondContact CB-O 3.38Å; L550-I633 HydrophobicContact CD1-CG2 4.48Å; L550-I633 PolarHBondContact N-O 3.35Å; L550-A635 HydrophobicContact CD1-CB 3.5Å; L550-A635 HydrophobicContact CD2-CB 4.35Å; L550-A635 HydrophobicContact CG-CB 3.97Å; L550-L647 HydrophobicContact CD1-CD2 3.72Å; L550-L647 HydrophobicContact CD2-CD2 4.37Å; L550-V649 HydrophobicContact CD1-CG2 4.41Å
551	Y	94.4	Very high	86.5	Confident	55 Å²	55	60.1 Å²	60.1	22%	0.216	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	151.8	-172.1	-161.2	-95.7	0	0	0	110.6	H535 I537 I553 I633 I651 Y653	H535-Y551 HydrophobicContact CB-CE2 4.36Å; H535-Y551 AromaticContact CD2-CD2 3.76Å; H535-Y551 AromaticContact CD2-CE2 3.81Å; I537-Y551 HydrophobicContact CD1-CD2 4.4Å; Y551-I553 HydrophobicContact CD1-CD1 3.61Å; Y551-I553 HydrophobicContact CD1-CG1 4.47Å; Y551-I553 HydrophobicContact CE1-CD1 3.73Å; Y551-I633 PolarHBondContact N-O 3.2Å; Y551-I633 PolarHBondContact O-N 3.46Å; Y551-I651 HydrophobicContact CD1-CD1 4.17Å; Y551-I651 HydrophobicContact CD1-CG2 4.49Å; Y551-I651 HydrophobicContact CG-CD1 3.87Å; Y551-Y653 AromaticContact CE1-CE1 3.75Å; Y551-Y653 HydrophobicContact CE1-CE1 3.75Å; Y551-Y653 PolarHBondContact OH-OH 2.82Å
552	V	94.3	Very high	87.2	Confident	60 Å²	60	59.7 Å²	59.7	36%	0.364	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.2	174.8	-178.8	0	0	0	0	108.7	M549 A632	M549-V552 HydrophobicContact CG-CG2 4.4Å; M549-V552 HydrophobicContact SD-CG2 3.65Å; V552-A632 HydrophobicContact CG2-CB 4.26Å
553	I	94.2	Very high	88.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.5	171.7	-52.1	-61.4	0	0	0	107.4	Y551 A557 L560 I627 V631 I633 I651 Y653	Y551-I553 HydrophobicContact CD1-CD1 3.61Å; Y551-I553 HydrophobicContact CD1-CG1 4.47Å; Y551-I553 HydrophobicContact CE1-CD1 3.73Å; I553-A557 HydrophobicContact CG2-CB 3.45Å; I553-A557 VanDerWaalsContact CG2-CB 3.45Å; I553-L560 HydrophobicContact CD1-CD1 3.65Å; I553-L560 HydrophobicContact CG1-CD1 4.01Å; I553-L560 HydrophobicContact CG1-CD2 4.12Å; I553-L560 HydrophobicContact CG2-CD2 4.47Å; I553-I627 HydrophobicContact CG2-CD1 4.09Å; I553-V631 HydrophobicContact CB-CB 4.37Å; I553-V631 PolarHBondContact N-O 3.33Å; I553-V631 PolarHBondContact O-N 2.82Å; I553-I633 HydrophobicContact CD1-CD1 4.03Å; I553-I633 HydrophobicContact CG1-CD1 4.02Å; I553-I633 HydrophobicContact CG1-CG1 4.38Å; I553-I651 HydrophobicContact CD1-CG2 3.76Å; I553-Y653 HydrophobicContact CD1-CD1 3.82Å; I553-Y653 HydrophobicContact CD1-CE1 3.72Å
554	P	91.9	Very high	89.1	Confident	39 Å²	39	55.3 Å²	55.3	25%	0.253	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-70.1	154.6	178.1	30.3	-35.3	0	0	0	110.9	A557 Y653 L655	P554-A557 VanDerWaalsContact O-CB 3.24Å; P554-A557 WeakPolarHBondContact O-CB 3.29Å; P554-A557 PolarHBondContact O-N 2.04Å; P554-Y653 HydrophobicContact CG-CE2 4.24Å; P554-L655 HydrophobicContact CB-CD1 4.43Å; P554-L655 HydrophobicContact CG-CD1 3.66Å; P554-L655 HydrophobicContact CG-CD2 3.92Å; P554-L655 HydrophobicContact CG-CG 4.45Å
555	R	88.5	Confident	90.2	Very high	115 Å²	115	51.2 Å²	51.2	43%	0.434	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	153.4	167	67.7	-177.4	69.7	-164.5	-1.1	112.1	A557 I627 G629 D630	R555-A557 PolarHBondContact O-N 2.97Å; R555-I627 CarbonylContact C-O 3.55Å; R555-G629 WeakPolarHBondContact CA-O 3.09Å; R555-D630 IonicContact CZ-OD2 3.9Å; R555-D630 PolarHBondContact N-OD1 3.37Å; R555-D630 IonicContact NE-OD1 3.54Å; R555-D630 IonicContact NE-OD2 2.89Å; R555-D630 PolarHBondContact NE-OD2 3.46Å; R555-D630 IonicContact NH2-OD2 3.67Å; R555-D630 PolarHBondContact NH2-OD2 2.89Å
556	Y	88.5	Confident	90.9	Very high	81 Å²	81	51.6 Å²	51.6	32%	0.318	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	5.4	-173.4	-47.1	-58.8	0	0	0	115.7	T626 I627 Y628 P656	Y556-T626 HydrophobicContact CD1-CG2 4.27Å; Y556-I627 WeakPolarHBondContact CA-O 3.04Å; Y556-I627 PolarHBondContact N-O 3.31Å; Y556-Y628 HydrophobicContact CD1-CD1 4.13Å; Y556-Y628 HydrophobicContact CD1-CE1 4.34Å; Y556-Y628 AromaticContact CE1-CD1 3.79Å; Y556-Y628 HydrophobicContact CE1-CD1 3.79Å; Y556-Y628 HydrophobicContact CE1-CE1 4.1Å; Y556-P656 WeakPolarHBondContact O-CD 3.27Å
557	A	93.1	Very high	90.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.212	C	C	.	.			trans	-60.1	141	168.1	0	0	0	0	0	110.9	I553 P554 R555 I627 Y653 V654 L655	I553-A557 HydrophobicContact CG2-CB 3.45Å; I553-A557 VanDerWaalsContact CG2-CB 3.45Å; P554-A557 VanDerWaalsContact O-CB 3.24Å; P554-A557 WeakPolarHBondContact O-CB 3.29Å; P554-A557 PolarHBondContact O-N 2.04Å; R555-A557 PolarHBondContact O-N 2.97Å; A557-I627 HydrophobicContact CB-CD1 4.36Å; A557-I627 PolarHBondContact O-N 3.2Å; A557-Y653 HydrophobicContact CB-CD2 3.7Å; A557-Y653 HydrophobicContact CB-CE2 4.24Å; A557-Y653 HydrophobicContact CB-CG 4.35Å; A557-V654 WeakPolarHBondContact CA-O 3.38Å; A557-L655 HydrophobicContact CB-CD1 4.47Å
558	R	92.8	Very high	90.6	Very high	26 Å²	26	47 Å²	47	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.9	178.8	-52.4	-177	79.9	-135.2	10.3	109.8	D518 Q519 C520 G521 L560 T626 V654	D518-R558 PolarHBondContact O-NH1 3.22Å; D518-R558 VanDerWaalsContact O-NH1 3.09Å; Q519-R558 VanDerWaalsContact C-NH1 3.29Å; Q519-R558 PolarHBondContact O-NH1 3.25Å; C520-R558 WeakPolarHBondContact O-CD 3.07Å; G521-R558 VanDerWaalsContact CA-CZ 3.44Å; R558-L560 PolarHBondContact O-N 3.38Å; R558-T626 HydrophobicContact CG-CG2 4.19Å; R558-T626 PolarHBondContact NE-OG1 3.41Å; R558-T626 VanDerWaalsContact NE-OG1 3.13Å; R558-V654 PolarHBondContact N-O 2.9Å; R558-V654 PolarHBondContact O-N 3.1Å
559	H	93.8	Very high	90.6	Very high	80 Å²	80	41.6 Å²	41.6	37%	0.37	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.5	38.6	174.7	-51.6	-68	0	0	0	113.2	Q519 K561	Q519-H559 PolarHBondContact O-CD2 3.49Å; Q519-H559 PolarHBondContact O-NE2 3.43Å; Q519-H559 PolarHBondContact OE1-CD2 2.76Å; Q519-H559 PolarHBondContact OE1-NE2 3.01Å; H559-K561 PolarHBondContact O-N 2.83Å
560	L	95.9	Very high	90.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	128.9	179.2	174	65.8	0	0	0	109	I553 R558 I562 F603 Q622 T623 I627 I651 S652 Y653	I553-L560 HydrophobicContact CD1-CD1 3.65Å; I553-L560 HydrophobicContact CG1-CD1 4.01Å; I553-L560 HydrophobicContact CG1-CD2 4.12Å; I553-L560 HydrophobicContact CG2-CD2 4.47Å; R558-L560 PolarHBondContact O-N 3.38Å; L560-I562 HydrophobicContact CD1-CG1 4.03Å; L560-I562 HydrophobicContact CD2-CD1 4.23Å; L560-I562 HydrophobicContact CG-CD1 4.46Å; L560-I562 HydrophobicContact CG-CG1 4.21Å; L560-F603 HydrophobicContact CD2-CE1 4.43Å; L560-Q622 CarbonylContact O-C 3.54Å; L560-Q622 VanDerWaalsContact O-CA 3.26Å; L560-Q622 WeakPolarHBondContact O-CA 3.4Å; L560-T623 HydrophobicContact CB-CG2 3.86Å; L560-T623 WeakPolarHBondContact CB-OG1 3.46Å; L560-T623 HydrophobicContact CD2-CG2 3.98Å; L560-T623 HydrophobicContact CG-CG2 4.33Å; L560-T623 PolarHBondContact N-OG1 3.49Å; L560-T623 VanDerWaalsContact N-OG1 3.14Å; L560-T623 PolarHBondContact O-N 2.95Å; L560-I627 HydrophobicContact CB-CD1 4Å; L560-I627 HydrophobicContact CD2-CD1 3.73Å; L560-I651 HydrophobicContact CD1-CG2 4.08Å; L560-S652 CarbonylContact C-O 3.48Å; L560-S652 WeakPolarHBondContact CA-O 3.18Å; L560-Y653 HydrophobicContact CD1-CD1 4.28Å
561	K	96.1	Very high	90.6	Very high	78 Å²	78	38 Å²	38	34%	0.339	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.2	169.9	-178.3	175.5	-176.4	-176.7	0	108.9	H559 I621 Q622 I651 S652	H559-K561 PolarHBondContact O-N 2.83Å; K561-I621 CarbonylContact C-O 3.52Å; K561-I621 WeakPolarHBondContact CA-O 3.46Å; K561-Q622 HydrophobicContact CB-CG 4.5Å; K561-Q622 HydrophobicContact CG-CG 4.14Å; K561-I651 CarbonylContact O-C 3.49Å; K561-I651 WeakPolarHBondContact O-CA 3.02Å; K561-S652 PolarHBondContact N-O 3.17Å; K561-S652 PolarHBondContact O-N 2.76Å
562	I	95.3	Very high	90.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.6	174.1	-51.5	166.7	0	0	0	106.5	L560 L571 L573 Q620 I621 I633 V649 E650 I651	L560-I562 HydrophobicContact CD1-CG1 4.03Å; L560-I562 HydrophobicContact CD2-CD1 4.23Å; L560-I562 HydrophobicContact CG-CD1 4.46Å; L560-I562 HydrophobicContact CG-CG1 4.21Å; I562-L571 HydrophobicContact CG2-CD1 3.82Å; I562-L573 HydrophobicContact CD1-CD2 4.1Å; I562-Q620 CarbonylContact O-C 3.53Å; I562-Q620 VanDerWaalsContact O-CA 3.27Å; I562-Q620 WeakPolarHBondContact O-CA 3.18Å; I562-I621 HydrophobicContact CB-CB 4.11Å; I562-I621 HydrophobicContact CD1-CB 4.23Å; I562-I621 HydrophobicContact CD1-CD1 4.43Å; I562-I621 HydrophobicContact CG1-CB 4.49Å; I562-I621 PolarHBondContact N-O 2.66Å; I562-I621 PolarHBondContact O-N 3.09Å; I562-I633 HydrophobicContact CD1-CD1 3.43Å; I562-I633 VanDerWaalsContact CD1-CD1 3.43Å; I562-I633 HydrophobicContact CD1-CG1 3.83Å; I562-I633 HydrophobicContact CG1-CD1 3.92Å; I562-V649 HydrophobicContact CG2-CG1 3.72Å; I562-E650 CarbonylContact C-O 3.48Å; I562-E650 VanDerWaalsContact CA-O 3.28Å; I562-E650 WeakPolarHBondContact CA-O 3.03Å; I562-I651 HydrophobicContact CG1-CG1 4.5Å; I562-I651 HydrophobicContact CG2-CG1 4.28Å
563	S	93.7	Very high	90.5	Very high	13 Å²	13	32.6 Å²	32.6	9%	0.091	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.6	175	-51	0	0	0	0	108.9	I619 V649 E650	S563-I619 CarbonylContact C-O 3.53Å; S563-I619 WeakPolarHBondContact CA-O 3.44Å; S563-V649 CarbonylContact O-C 3.55Å; S563-V649 WeakPolarHBondContact O-CA 3.15Å; S563-E650 PolarHBondContact N-O 2.89Å; S563-E650 PolarHBondContact O-N 3.39Å
564	K	90.7	Very high	90.4	Very high	3 Å²	3	34 Å²	34	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.7	-179.7	-173.2	-159.4	83.5	83.6	0	110.3	H569 L571 F618 I619 L647 D648 V649	K564-H569 WeakPolarHBondContact CE-O 3.44Å; K564-H569 PolarHBondContact NZ-O 3.25Å; K564-L571 HydrophobicContact CB-CD1 4.04Å; K564-L571 HydrophobicContact CD-CD1 4.21Å; K564-L571 HydrophobicContact CD-CD2 4.36Å; K564-L571 HydrophobicContact CD-CG 3.86Å; K564-L571 HydrophobicContact CG-CD1 4.42Å; K564-L571 HydrophobicContact CG-CG 4.47Å; K564-F618 WeakPolarHBondContact O-CA 3.47Å; K564-I619 HydrophobicContact CB-CB 4.46Å; K564-I619 VanDerWaalsContact CE-CD1 3.46Å; K564-I619 PolarHBondContact N-O 3.24Å; K564-I619 PolarHBondContact O-N 2.93Å; K564-L647 HydrophobicContact CD-CD1 4.14Å; K564-L647 HydrophobicContact CG-CD1 3.83Å; K564-D648 WeakPolarHBondContact CA-O 3.39Å; K564-V649 HydrophobicContact CB-CG2 4.36Å; K564-V649 HydrophobicContact CG-CG2 3.99Å
565	N	88	Confident	90.3	Very high	32 Å²	32	32.6 Å²	32.6	17%	0.171	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	148.4	171	65.5	-32.7	0	0	0	112.1	F618 P646 D648	N565-F618 HydrophobicContact CB-CE1 4.27Å; N565-P646 PolarHBondContact ND2-O 3.39Å; N565-D648 HydrophobicContact CB-CB 4.13Å; N565-D648 PolarHBondContact N-O 2.77Å; N565-D648 PolarHBondContact OD1-N 3.18Å; N565-D648 PolarHBondContact OD1-O 3.18Å; N565-D648 VanDerWaalsContact OD1-O 3.13Å
566	Y	81.1	Confident	90.3	Very high	72 Å²	72	29.9 Å²	29.9	28%	0.282	15%	0.148	S	C	.	.	S	Bend	trans	-61.9	149.9	167.1	-73	-70.1	0	0	0	111	P607 G608 N609 P610 S617 I619	Y566-P607 PolarHBondContact OH-O 3.29Å; Y566-G608 WeakPolarHBondContact OH-CA 3.37Å; Y566-N609 VanDerWaalsContact OH-C 3.27Å; Y566-N609 PolarHBondContact OH-N 3.27Å; Y566-N609 VanDerWaalsContact OH-N 3.15Å; Y566-P610 HydrophobicContact CD1-CB 4.38Å; Y566-P610 HydrophobicContact CD2-CB 4.24Å; Y566-P610 HydrophobicContact CE1-CB 4.08Å; Y566-P610 HydrophobicContact CE2-CB 3.89Å; Y566-P610 HydrophobicContact CG-CB 4.48Å; Y566-S617 WeakPolarHBondContact CD2-O 3.47Å; Y566-S617 WeakPolarHBondContact CE2-O 3.46Å; Y566-I619 HydrophobicContact CD1-CD1 4.15Å; Y566-I619 HydrophobicContact CD1-CG1 4.23Å; Y566-I619 HydrophobicContact CE1-CD1 4.16Å; Y566-I619 HydrophobicContact CE1-CG1 3.81Å
567	G	80.6	Confident	90	Very high	37 Å²	37	31.8 Å²	31.8	38%	0.381	16%	0.16	S	C	.	.	S	Bend	trans	144.9	-176.9	-176.5	0	0	0	0	0	111.4	H569	G567-H569 PolarHBondContact O-N 3.06Å; G567-H569 VanDerWaalsContact O-N 3.09Å
568	N	82.4	Confident	89.6	Confident	68 Å²	68	37.1 Å²	37.1	36%	0.364	19%	0.185	S	C	.	.	S	Bend	trans	-78.8	8.3	-169	-56.1	-60.9	0	0	0	114.8	L638 N639	N568-L638 VanDerWaalsContact O-CB 3.28Å; N568-L638 WeakPolarHBondContact O-CB 2.97Å; N568-L638 PolarHBondContact O-N 3.37Å; N568-N639 HydrophobicContact CB-CB 4.25Å; N568-N639 VanDerWaalsContact CB-CG 3.5Å; N568-N639 VanDerWaalsContact CB-OD1 3.3Å; N568-N639 WeakPolarHBondContact CB-OD1 3.02Å; N568-N639 VanDerWaalsContact ND2-CG 3.3Å; N568-N639 PolarHBondContact ND2-ND2 3.19Å; N568-N639 VanDerWaalsContact ND2-ND2 3.15Å; N568-N639 PolarHBondContact ND2-OD1 2.78Å
569	H	87	Confident	89.4	Confident	5 Å²	5	43 Å²	43	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	137.5	175.4	-61.4	111.2	0	0	0	111.8	K564 G567 R636 D645 L647	K564-H569 WeakPolarHBondContact CE-O 3.44Å; K564-H569 PolarHBondContact NZ-O 3.25Å; G567-H569 PolarHBondContact O-N 3.06Å; G567-H569 VanDerWaalsContact O-N 3.09Å; H569-R636 CarbonylContact C-O 3.59Å; H569-R636 VanDerWaalsContact CA-O 3.29Å; H569-R636 WeakPolarHBondContact CA-O 3.49Å; H569-D645 PolarHBondContact CE1-O 2.94Å; H569-L647 HydrophobicContact CB-CD1 3.63Å; H569-L647 PolarHBondContact CE1-N 3.33Å; H569-L647 VanDerWaalsContact CE1-N 3.32Å
570	V	88.5	Confident	89.2	Confident	21 Å²	21	44.4 Å²	44.4	13%	0.127	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.9	171.1	-68.5	0	0	0	0	110.6	Y547 D586 A635 R636 L638	Y547-V570 HydrophobicContact CE1-CG2 4.22Å; V570-D586 HydrophobicContact CG1-CB 4.49Å; V570-D586 HydrophobicContact CG2-CB 4.14Å; V570-A635 WeakPolarHBondContact O-CA 3.48Å; V570-R636 HydrophobicContact CG2-CB 3.96Å; V570-R636 PolarHBondContact N-O 2.84Å; V570-R636 PolarHBondContact O-N 2.85Å; V570-L638 HydrophobicContact CG1-CD1 3.53Å; V570-L638 HydrophobicContact CG1-CG 4.13Å; V570-L638 HydrophobicContact CG2-CD1 4.31Å; V570-L638 HydrophobicContact CG2-CD2 4.11Å; V570-L638 HydrophobicContact CG2-CG 4.11Å
571	L	92	Very high	88.9	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143.7	173.4	-63.9	179.6	0	0	0	110.3	L550 I562 K564 G585 I621 I633 Q634 A635 V649	L550-L571 HydrophobicContact CD1-CD2 4.2Å; I562-L571 HydrophobicContact CG2-CD1 3.82Å; K564-L571 HydrophobicContact CB-CD1 4.04Å; K564-L571 HydrophobicContact CD-CD1 4.21Å; K564-L571 HydrophobicContact CD-CD2 4.36Å; K564-L571 HydrophobicContact CD-CG 3.86Å; K564-L571 HydrophobicContact CG-CD1 4.42Å; K564-L571 HydrophobicContact CG-CG 4.47Å; L571-G585 WeakPolarHBondContact O-CA 3.38Å; L571-G585 PolarHBondContact O-N 2.8Å; L571-I621 HydrophobicContact CD1-CD1 4.37Å; L571-I633 HydrophobicContact CD2-CG2 4.25Å; L571-Q634 CarbonylContact C-O 3.56Å; L571-Q634 WeakPolarHBondContact CA-O 3.29Å; L571-A635 HydrophobicContact CD2-CB 3.88Å; L571-V649 HydrophobicContact CD2-CG2 4.07Å
572	G	92.4	Very high	88.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143	168	0	0	0	0	0	109.8	L583 Q634	G572-L583 CarbonylContact C-O 3.58Å; G572-L583 VanDerWaalsContact CA-O 3.24Å; G572-L583 WeakPolarHBondContact CA-O 3.28Å; G572-Q634 PolarHBondContact N-O 2.94Å; G572-Q634 PolarHBondContact O-N 2.02Å
573	L	94.3	Very high	88.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.3	171.6	-54.2	179.2	0	0	0	109.3	I562 F581 F582 L583 F603 I621 V631 I633	I562-L573 HydrophobicContact CD1-CD2 4.1Å; L573-F581 WeakPolarHBondContact O-CA 3.35Å; L573-F582 HydrophobicContact CB-CD1 4.4Å; L573-F582 HydrophobicContact CB-CD2 4.13Å; L573-F582 HydrophobicContact CB-CE1 3.77Å; L573-F582 HydrophobicContact CB-CE2 3.47Å; L573-F582 VanDerWaalsContact CB-CE2 3.47Å; L573-F582 HydrophobicContact CB-CZ 3.29Å; L573-F582 HydrophobicContact CD1-CE2 3.65Å; L573-F582 HydrophobicContact CD1-CZ 3.91Å; L573-F582 HydrophobicContact CG-CE2 4.22Å; L573-F582 HydrophobicContact CG-CZ 4.24Å; L573-F582 WeakPolarHBondContact O-CD1 3.41Å; L573-F582 PolarHBondContact O-N 3.26Å; L573-L583 HydrophobicContact CB-CB 3.94Å; L573-L583 HydrophobicContact CD1-CB 4.24Å; L573-L583 HydrophobicContact CD1-CD2 3.77Å; L573-L583 HydrophobicContact CG-CB 4.12Å; L573-L583 HydrophobicContact CG-CD2 3.98Å; L573-L583 PolarHBondContact N-O 3.07Å; L573-L583 PolarHBondContact O-N 3.13Å; L573-F603 HydrophobicContact CD1-CD1 3.85Å; L573-F603 HydrophobicContact CD1-CE1 4.06Å; L573-I621 HydrophobicContact CD1-CD1 4.32Å; L573-I621 HydrophobicContact CD1-CG2 4.22Å; L573-I621 HydrophobicContact CD2-CD1 4.46Å; L573-I621 HydrophobicContact CG-CD1 4.49Å; L573-V631 HydrophobicContact CB-CG1 4.3Å; L573-V631 HydrophobicContact CD2-CG1 4.46Å; L573-I633 HydrophobicContact CD2-CG1 3.97Å
574	F	92.7	Very high	87.9	Confident	30 Å²	30	48 Å²	48	13%	0.132	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.7	-169.5	-172.4	-88.6	0	0	0	110.6	M576 F579 F581 A632 Q634	F574-M576 HydrophobicContact CD1-SD 4.01Å; F574-M576 HydrophobicContact CE1-SD 4.32Å; F574-M576 PolarHBondContact O-N 3.45Å; F574-F579 HydrophobicContact CE1-CB 4.42Å; F574-F579 HydrophobicContact CE1-CD1 4.33Å; F574-F579 VanDerWaalsContact CZ-CA 3.41Å; F574-F579 HydrophobicContact CZ-CB 4.09Å; F574-F579 WeakPolarHBondContact CZ-O 3.32Å; F574-F581 HydrophobicContact CB-CD1 4.11Å; F574-F581 HydrophobicContact CB-CE1 4.06Å; F574-F581 AromaticContact CD2-CD1 3.96Å; F574-F581 HydrophobicContact CD2-CD1 3.96Å; F574-F581 AromaticContact CD2-CD2 3.74Å; F574-F581 HydrophobicContact CD2-CD2 3.74Å; F574-F581 AromaticContact CD2-CE1 3.97Å; F574-F581 HydrophobicContact CD2-CE1 3.97Å; F574-F581 AromaticContact CD2-CE2 3.75Å; F574-F581 HydrophobicContact CD2-CE2 3.75Å; F574-F581 AromaticContact CD2-CG 3.84Å; F574-F581 HydrophobicContact CD2-CG 3.84Å; F574-F581 AromaticContact CD2-CZ 3.86Å; F574-F581 HydrophobicContact CD2-CZ 3.86Å; F574-F581 HydrophobicContact CE2-CD2 4.14Å; F574-F581 HydrophobicContact CE2-CE2 4.12Å; F574-A632 HydrophobicContact CB-CB 4.17Å; F574-A632 PolarHBondContact N-O 2.99Å; F574-A632 PolarHBondContact O-N 3Å; F574-Q634 HydrophobicContact CB-CG 4.32Å
575	D	89.9	Confident	87.6	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.053	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.2	173.6	-177.8	-18.1	0	0	0	109.2	Q577 H578 F579 Q580 F582 F599	D575-Q577 VanDerWaalsContact C-N 3.28Å; D575-Q577 PolarHBondContact O-N 2.9Å; D575-Q577 WeakPolarHBondContact OD1-CA 3.48Å; D575-Q577 WeakPolarHBondContact OD1-CB 3.38Å; D575-Q577 PolarHBondContact OD1-N 3.07Å; D575-H578 PolarHBondContact OD1-N 2.66Å; D575-H578 VanDerWaalsContact OD1-N 3.08Å; D575-H578 IonicContact OD1-ND1 3.44Å; D575-H578 IonicContact OD2-CE1 3.87Å; D575-H578 IonicContact OD2-CG 2.74Å; D575-H578 IonicContact OD2-ND1 2.9Å; D575-H578 PolarHBondContact OD2-ND1 2.95Å; D575-F579 VanDerWaalsContact O-CA 3.31Å; D575-F579 WeakPolarHBondContact O-CA 3.32Å; D575-F579 PolarHBondContact O-N 2.87Å; D575-Q580 HydrophobicContact CB-CG 4.3Å; D575-Q580 WeakPolarHBondContact CB-O 3.07Å; D575-Q580 PolarHBondContact N-O 2.65Å; D575-Q580 PolarHBondContact O-N 2.72Å; D575-F582 HydrophobicContact CB-CD1 4.1Å; D575-F599 HydrophobicContact CB-CE1 4.4Å; D575-F599 HydrophobicContact CB-CZ 3.72Å; D575-F599 WeakPolarHBondContact OD2-CE1 3.46Å; D575-F599 WeakPolarHBondContact OD2-CZ 3.4Å
576	M	88.1	Confident	87.3	Confident	57 Å²	57	50.1 Å²	50.1	28%	0.281	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.3	-179.4	-71.7	-62.2	-46	0	0	113.5	M549 F574 D630 A632	M549-M576 HydrophobicContact CE-SD 3.93Å; F574-M576 HydrophobicContact CD1-SD 4.01Å; F574-M576 HydrophobicContact CE1-SD 4.32Å; F574-M576 PolarHBondContact O-N 3.45Å; M576-D630 HydrophobicContact CB-CB 3.95Å; M576-D630 WeakPolarHBondContact CB-O 3.01Å; M576-D630 HydrophobicContact CG-CB 4.29Å; M576-D630 PolarHBondContact N-O 3.48Å; M576-D630 VanDerWaalsContact N-O 3.16Å; M576-A632 HydrophobicContact CG-CB 4.03Å; M576-A632 HydrophobicContact SD-CB 3.65Å
577	Q	82.6	Confident	87.3	Confident	122 Å²	122	53.2 Å²	53.2	57%	0.57	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-42.5	-179.5	-178.1	175.2	-2.2	0	0	111.5	D575	D575-Q577 VanDerWaalsContact C-N 3.28Å; D575-Q577 PolarHBondContact O-N 2.9Å; D575-Q577 WeakPolarHBondContact OD1-CA 3.48Å; D575-Q577 WeakPolarHBondContact OD1-CB 3.38Å; D575-Q577 PolarHBondContact OD1-N 3.07Å
578	H	84.1	Confident	87	Confident	111 Å²	111	53 Å²	53	51%	0.514	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	1.1	-178.8	-57.9	99.6	0	0	0	113.8	D575 Q580	D575-H578 PolarHBondContact OD1-N 2.66Å; D575-H578 VanDerWaalsContact OD1-N 3.08Å; D575-H578 IonicContact OD1-ND1 3.44Å; D575-H578 IonicContact OD2-CE1 3.87Å; D575-H578 IonicContact OD2-CG 2.74Å; D575-H578 IonicContact OD2-ND1 2.9Å; D575-H578 PolarHBondContact OD2-ND1 2.95Å; H578-Q580 VanDerWaalsContact C-N 3.33Å; H578-Q580 HydrophobicContact CB-CG 4.05Å; H578-Q580 PolarHBondContact O-N 3.14Å
579	F	88.2	Confident	86.4	Confident	150 Å²	150	56.9 Å²	56.9	66%	0.658	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	44.6	178.4	-61.2	-82	0	0	0	114.1	F574 D575	F574-F579 HydrophobicContact CE1-CB 4.42Å; F574-F579 HydrophobicContact CE1-CD1 4.33Å; F574-F579 VanDerWaalsContact CZ-CA 3.41Å; F574-F579 HydrophobicContact CZ-CB 4.09Å; F574-F579 WeakPolarHBondContact CZ-O 3.32Å; D575-F579 VanDerWaalsContact O-CA 3.31Å; D575-F579 WeakPolarHBondContact O-CA 3.32Å; D575-F579 PolarHBondContact O-N 2.87Å
580	Q	89.7	Confident	85.4	Confident	110 Å²	110	62 Å²	62	51%	0.514	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.8	-178.7	63.2	-177.4	-10.3	0	0	112.3	D575 H578	D575-Q580 HydrophobicContact CB-CG 4.3Å; D575-Q580 WeakPolarHBondContact CB-O 3.07Å; D575-Q580 PolarHBondContact N-O 2.65Å; D575-Q580 PolarHBondContact O-N 2.72Å; H578-Q580 VanDerWaalsContact C-N 3.33Å; H578-Q580 HydrophobicContact CB-CG 4.05Å; H578-Q580 PolarHBondContact O-N 3.14Å
581	F	89.3	Confident	84.5	Confident	59 Å²	59	68.3 Å²	68.3	26%	0.259	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132	167.7	-74.4	-81.3	0	0	0	110	Y547 L573 F574 K584 Q634	Y547-F581 HydrophobicContact CD1-CE1 4.18Å; Y547-F581 HydrophobicContact CD1-CZ 4.27Å; Y547-F581 HydrophobicContact CD2-CE1 4.47Å; Y547-F581 HydrophobicContact CD2-CE2 4.43Å; Y547-F581 AromaticContact CD2-CZ 4Å; Y547-F581 HydrophobicContact CD2-CZ 4Å; Y547-F581 HydrophobicContact CG-CE1 4.07Å; Y547-F581 AromaticContact CG-CZ 3.7Å; Y547-F581 HydrophobicContact CG-CZ 3.7Å; L573-F581 WeakPolarHBondContact O-CA 3.35Å; F574-F581 HydrophobicContact CB-CD1 4.11Å; F574-F581 HydrophobicContact CB-CE1 4.06Å; F574-F581 AromaticContact CD2-CD1 3.96Å; F574-F581 HydrophobicContact CD2-CD1 3.96Å; F574-F581 AromaticContact CD2-CD2 3.74Å; F574-F581 HydrophobicContact CD2-CD2 3.74Å; F574-F581 AromaticContact CD2-CE1 3.97Å; F574-F581 HydrophobicContact CD2-CE1 3.97Å; F574-F581 AromaticContact CD2-CE2 3.75Å; F574-F581 HydrophobicContact CD2-CE2 3.75Å; F574-F581 AromaticContact CD2-CG 3.84Å; F574-F581 HydrophobicContact CD2-CG 3.84Å; F574-F581 AromaticContact CD2-CZ 3.86Å; F574-F581 HydrophobicContact CD2-CZ 3.86Å; F574-F581 HydrophobicContact CE2-CD2 4.14Å; F574-F581 HydrophobicContact CE2-CE2 4.12Å; F581-K584 HydrophobicContact CB-CD 4.24Å; F581-K584 HydrophobicContact CB-CG 3.65Å; F581-K584 HydrophobicContact CD1-CG 3.98Å; F581-K584 HydrophobicContact CD2-CG 4.36Å; F581-K584 HydrophobicContact CG-CD 4.39Å; F581-K584 HydrophobicContact CG-CG 3.74Å; F581-Q634 HydrophobicContact CE1-CB 4.24Å; F581-Q634 HydrophobicContact CE1-CG 4.24Å; F581-Q634 HydrophobicContact CZ-CG 4.45Å
582	F	88.3	Confident	83.7	Confident	24 Å²	24	71.1 Å²	71.1	11%	0.105	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-14	167.7	65.2	-98.6	0	0	0	112.2	L573 D575 Y598 F599 F603 V631	L573-F582 HydrophobicContact CB-CD1 4.4Å; L573-F582 HydrophobicContact CB-CD2 4.13Å; L573-F582 HydrophobicContact CB-CE1 3.77Å; L573-F582 HydrophobicContact CB-CE2 3.47Å; L573-F582 VanDerWaalsContact CB-CE2 3.47Å; L573-F582 HydrophobicContact CB-CZ 3.29Å; L573-F582 HydrophobicContact CD1-CE2 3.65Å; L573-F582 HydrophobicContact CD1-CZ 3.91Å; L573-F582 HydrophobicContact CG-CE2 4.22Å; L573-F582 HydrophobicContact CG-CZ 4.24Å; L573-F582 WeakPolarHBondContact O-CD1 3.41Å; L573-F582 PolarHBondContact O-N 3.26Å; D575-F582 HydrophobicContact CB-CD1 4.1Å; F582-Y598 HydrophobicContact CB-CD1 3.82Å; F582-Y598 HydrophobicContact CB-CD2 4.37Å; F582-Y598 HydrophobicContact CB-CE1 3.6Å; F582-Y598 HydrophobicContact CB-CE2 4.15Å; F582-Y598 HydrophobicContact CB-CG 4.21Å; F582-Y598 HydrophobicContact CD2-CD1 4.25Å; F582-Y598 AromaticContact CD2-CD2 3.37Å; F582-Y598 HydrophobicContact CD2-CD2 3.37Å; F582-Y598 HydrophobicContact CD2-CE1 4.4Å; F582-Y598 AromaticContact CD2-CE2 3.53Å; F582-Y598 HydrophobicContact CD2-CE2 3.53Å; F582-Y598 AromaticContact CD2-CG 3.76Å; F582-Y598 HydrophobicContact CD2-CG 3.76Å; F582-Y598 AromaticContact CE2-CD2 3.86Å; F582-Y598 HydrophobicContact CE2-CD2 3.86Å; F582-Y598 HydrophobicContact CE2-CE2 4.35Å; F582-Y598 HydrophobicContact CE2-CG 4.3Å; F582-Y598 HydrophobicContact CG-CD1 4.2Å; F582-Y598 HydrophobicContact CG-CD2 4.14Å; F582-Y598 HydrophobicContact CG-CE1 4.35Å; F582-Y598 HydrophobicContact CG-CE2 4.26Å; F582-Y598 HydrophobicContact CG-CG 4.11Å; F582-Y598 PolarHBondContact O-OH 3.01Å; F582-Y598 VanDerWaalsContact O-OH 3.1Å; F582-F599 HydrophobicContact CD1-CE2 4.12Å; F582-F599 HydrophobicContact CD1-CZ 4.38Å; F582-F599 AromaticContact CE1-CE2 3.69Å; F582-F599 HydrophobicContact CE1-CE2 3.69Å; F582-F599 HydrophobicContact CE1-CZ 4.22Å; F582-F599 HydrophobicContact CZ-CE2 4.06Å; F582-F603 HydrophobicContact CE2-CD1 4.35Å; F582-F603 HydrophobicContact CE2-CD2 4.49Å; F582-F603 HydrophobicContact CE2-CE1 4.25Å; F582-F603 HydrophobicContact CE2-CE2 4.41Å; F582-F603 HydrophobicContact CE2-CG 4.48Å; F582-F603 HydrophobicContact CE2-CZ 4.29Å; F582-F603 HydrophobicContact CZ-CE1 4.23Å; F582-F603 HydrophobicContact CZ-CZ 4.13Å; F582-V631 HydrophobicContact CE1-CG1 3.91Å; F582-V631 HydrophobicContact CE1-CG2 4.24Å; F582-V631 HydrophobicContact CZ-CG1 3.7Å; F582-V631 HydrophobicContact CZ-CG2 4.19Å
583	L	88.8	Confident	83.4	Confident	18 Å²	18	76.3 Å²	76.3	9%	0.094	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	131.6	169.5	-168.5	75.5	0	0	0	108.9	G572 L573 L588 L594 F605 I621	G572-L583 CarbonylContact C-O 3.58Å; G572-L583 VanDerWaalsContact CA-O 3.24Å; G572-L583 WeakPolarHBondContact CA-O 3.28Å; L573-L583 HydrophobicContact CB-CB 3.94Å; L573-L583 HydrophobicContact CD1-CB 4.24Å; L573-L583 HydrophobicContact CD1-CD2 3.77Å; L573-L583 HydrophobicContact CG-CB 4.12Å; L573-L583 HydrophobicContact CG-CD2 3.98Å; L573-L583 PolarHBondContact N-O 3.07Å; L573-L583 PolarHBondContact O-N 3.13Å; L583-L588 HydrophobicContact CD1-CD1 3.97Å; L583-L588 HydrophobicContact CD1-CD2 3.86Å; L583-L588 HydrophobicContact CD1-CG 4.37Å; L583-L588 HydrophobicContact CD2-CD1 4.34Å; L583-L588 HydrophobicContact CG-CD1 4.17Å; L583-L594 HydrophobicContact CD1-CD2 3.99Å; L583-F605 HydrophobicContact CD2-CD2 4.34Å; L583-I621 HydrophobicContact CD2-CD1 4.13Å
584	K	88.4	Confident	83	Confident	69 Å²	69	77.7 Å²	77.7	30%	0.3	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.9	170.9	-71.8	175.9	179.7	177	0	109.1	F581 D586 E587	F581-K584 HydrophobicContact CB-CD 4.24Å; F581-K584 HydrophobicContact CB-CG 3.65Å; F581-K584 HydrophobicContact CD1-CG 3.98Å; F581-K584 HydrophobicContact CD2-CG 4.36Å; F581-K584 HydrophobicContact CG-CD 4.39Å; F581-K584 HydrophobicContact CG-CG 3.74Å; K584-D586 WeakPolarHBondContact CB-OD1 3.44Å; K584-D586 PolarHBondContact O-N 3.37Å; K584-E587 HydrophobicContact CB-CB 4.36Å; K584-E587 HydrophobicContact CB-CG 4.16Å; K584-E587 VanDerWaalsContact CD-CD 3.49Å; K584-E587 HydrophobicContact CD-CG 4.34Å; K584-E587 WeakPolarHBondContact CD-OE1 3.2Å; K584-E587 IonicContact NZ-OE1 2.8Å; K584-E587 PolarHBondContact NZ-OE1 3.45Å; K584-E587 PolarHBondContact O-N 2.62Å; K584-E587 VanDerWaalsContact O-N 3.07Å
585	G	84	Confident	82.8	Confident	17 Å²	17	80.1 Å²	80.1	18%	0.175	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-69.2	-20	-172.9	0	0	0	0	0	114.5	Y547 L571 E587	Y547-G585 PolarHBondContact OH-N 3.23Å; L571-G585 WeakPolarHBondContact O-CA 3.38Å; L571-G585 PolarHBondContact O-N 2.8Å; G585-E587 VanDerWaalsContact C-N 3.28Å
586	D	82	Confident	82.8	Confident	62 Å²	62	81.6 Å²	81.6	33%	0.332	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-77	-12.4	172.2	52	-14.2	0	0	0	113.6	Y547 V570 K584 R636 L638	Y547-D586 VanDerWaalsContact OH-CG 3.24Å; Y547-D586 PolarHBondContact OH-OD1 2.03Å; V570-D586 HydrophobicContact CG1-CB 4.49Å; V570-D586 HydrophobicContact CG2-CB 4.14Å; K584-D586 WeakPolarHBondContact CB-OD1 3.44Å; K584-D586 PolarHBondContact O-N 3.37Å; D586-R636 IonicContact OD2-NH1 3.95Å; D586-R636 PolarHBondContact OD2-NH1 3Å; D586-R636 VanDerWaalsContact OD2-NH1 3.09Å; D586-L638 HydrophobicContact CB-CD2 4.38Å
587	E	79.2	Confident	82.9	Confident	137 Å²	137	79 Å²	79	64%	0.64	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-100.3	4	176	-62.4	175.3	-172.3	0	0	112.2	K584 G585	K584-E587 HydrophobicContact CB-CB 4.36Å; K584-E587 HydrophobicContact CB-CG 4.16Å; K584-E587 VanDerWaalsContact CD-CD 3.49Å; K584-E587 HydrophobicContact CD-CG 4.34Å; K584-E587 WeakPolarHBondContact CD-OE1 3.2Å; K584-E587 IonicContact NZ-OE1 2.8Å; K584-E587 PolarHBondContact NZ-OE1 3.45Å; K584-E587 PolarHBondContact O-N 2.62Å; K584-E587 VanDerWaalsContact O-N 3.07Å; G585-E587 VanDerWaalsContact C-N 3.28Å
588	L	74.6	Confident	83.2	Confident	33 Å²	33	74.5 Å²	74.5	17%	0.173	36%	0.358	C	S	.	.	S	Bend	trans	-95.7	134.6	-176.9	-65.5	178.7	0	0	0	112.7	L583 L590 L594 F605	L583-L588 HydrophobicContact CD1-CD1 3.97Å; L583-L588 HydrophobicContact CD1-CD2 3.86Å; L583-L588 HydrophobicContact CD1-CG 4.37Å; L583-L588 HydrophobicContact CD2-CD1 4.34Å; L583-L588 HydrophobicContact CG-CD1 4.17Å; L588-L590 PolarHBondContact O-N 2.86Å; L588-L594 HydrophobicContact CD2-CD2 3.49Å; L588-L594 VanDerWaalsContact CD2-CD2 3.49Å; L588-F605 HydrophobicContact CB-CE1 4.49Å; L588-F605 HydrophobicContact CD1-CD1 3.95Å; L588-F605 HydrophobicContact CD1-CD2 3.72Å; L588-F605 HydrophobicContact CD1-CE1 3.77Å; L588-F605 HydrophobicContact CD1-CE2 3.55Å; L588-F605 HydrophobicContact CD1-CG 3.95Å; L588-F605 HydrophobicContact CD1-CZ 3.58Å
589	E	69.9	Low	83.2	Confident	149 Å²	149	70.7 Å²	70.7	70%	0.696	34%	0.34	S	S	*	.			trans	-74.7	118.1	167.1	-66.1	-176.6	175.4	0	0	109.8	D591 T592	E589-D591 PolarHBondContact O-N 3.32Å; E589-T592 PolarHBondContact O-N 2.92Å
590	L	65.7	Low	83.1	Confident	112 Å²	112	64.4 Å²	64.4	59%	0.586	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-5.2	-172.9	-78.4	154.9	0	0	0	115	L588 P607 I619	L588-L590 PolarHBondContact O-N 2.86Å; L590-P607 WeakPolarHBondContact O-CB 3.04Å; L590-P607 WeakPolarHBondContact O-CG 3.28Å; L590-I619 HydrophobicContact CD2-CD1 4.49Å
591	D	70.3	Confident	83.2	Confident	155 Å²	155	59.1 Å²	59.1	83%	0.829	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-3.6	-173.9	-63.1	-32.2	0	0	0	113.6	E589	E589-D591 PolarHBondContact O-N 3.32Å
592	T	76.1	Confident	83.4	Confident	68 Å²	68	56.9 Å²	56.9	42%	0.417	28%	0.281	S	S	.	.	S	Bend	trans	-123.3	132.8	-174.9	65.3	0	0	0	0	112.6	E589 L594	E589-T592 PolarHBondContact O-N 2.92Å; T592-L594 PolarHBondContact O-N 2.99Å
593	K	85.2	Confident	83.6	Confident	109 Å²	109	56.2 Å²	56.2	47%	0.474	28%	0.278	S	S	.	.			trans	-68.6	115.5	170.7	-173.4	169.2	-169.3	141	0	109.1	V604 F605 D606	K593-V604 HydrophobicContact CD-CG1 4.27Å; K593-V604 HydrophobicContact CG-CG1 4.19Å; K593-F605 CarbonylContact C-O 3.59Å; K593-F605 WeakPolarHBondContact CA-O 3.3Å; K593-F605 WeakPolarHBondContact CG-O 3.24Å; K593-D606 WeakPolarHBondContact CE-OD2 3.02Å; K593-D606 IonicContact NZ-OD2 2.74Å; K593-D606 PolarHBondContact NZ-OD2 3.44Å
594	L	86.5	Confident	83.8	Confident	30 Å²	30	55.9 Å²	55.9	16%	0.157	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.2	-178.2	-165.1	75.1	0	0	0	110.3	L583 L588 T592 R596 V604 F605	L583-L594 HydrophobicContact CD1-CD2 3.99Å; L588-L594 HydrophobicContact CD2-CD2 3.49Å; L588-L594 VanDerWaalsContact CD2-CD2 3.49Å; T592-L594 PolarHBondContact O-N 2.99Å; L594-R596 VanDerWaalsContact CD1-NH1 3.33Å; L594-R596 VanDerWaalsContact CD1-NH2 3.29Å; L594-R596 HydrophobicContact CD2-CG 4.03Å; L594-R596 HydrophobicContact CG-CG 4.18Å; L594-V604 WeakPolarHBondContact O-CA 3.32Å; L594-F605 HydrophobicContact CB-CB 4.13Å; L594-F605 HydrophobicContact CB-CD1 4.44Å; L594-F605 PolarHBondContact N-O 3.5Å; L594-F605 PolarHBondContact O-N 2.89Å
595	R	88.8	Confident	83.9	Confident	81 Å²	81	53.4 Å²	53.4	31%	0.306	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.4	170.9	-57.2	-173.7	-172.1	-174	4	109.7	E602 F603 V604	R595-E602 HydrophobicContact CB-CG 4.49Å; R595-F603 WeakPolarHBondContact CA-O 3.05Å; R595-V604 HydrophobicContact CG-CG1 4.49Å; R595-V604 HydrophobicContact CG-CG2 4.36Å
596	R	89.5	Confident	84.1	Confident	40 Å²	40	54.9 Å²	54.9	15%	0.151	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.2	177.8	-65	-67.1	179.7	-95	5.4	110.2	Y468 L594 Y598 E602 F603	Y468-R596 VanDerWaalsContact CE1-NE 3.3Å; Y468-R596 VanDerWaalsContact CZ-NE 3.26Å; Y468-R596 PolarHBondContact OH-NE 3.22Å; Y468-R596 PolarHBondContact OH-NH2 3.29Å; L594-R596 VanDerWaalsContact CD1-NH1 3.33Å; L594-R596 VanDerWaalsContact CD1-NH2 3.29Å; L594-R596 HydrophobicContact CD2-CG 4.03Å; L594-R596 HydrophobicContact CG-CG 4.18Å; R596-Y598 HydrophobicContact CB-CD2 3.93Å; R596-Y598 HydrophobicContact CB-CE2 3.27Å; R596-Y598 HydrophobicContact CG-CE2 4.03Å; R596-E602 CarbonylContact O-C 3.55Å; R596-F603 PolarHBondContact N-O 3.04Å; R596-F603 PolarHBondContact O-N 2.91Å
597	V	90.6	Very high	84.1	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124	177.9	178.4	0	0	0	0	109.1	P455 Y490 T601 E602	P455-V597 HydrophobicContact CB-CB 4.09Å; P455-V597 HydrophobicContact CB-CG1 4.19Å; P455-V597 HydrophobicContact CB-CG2 4.11Å; P455-V597 HydrophobicContact CG-CB 4.44Å; P455-V597 HydrophobicContact CG-CG1 4.17Å; Y490-V597 HydrophobicContact CD2-CG2 4.01Å; Y490-V597 HydrophobicContact CE1-CG1 3.92Å; Y490-V597 HydrophobicContact CE2-CB 4.29Å; Y490-V597 HydrophobicContact CE2-CG1 3.78Å; Y490-V597 HydrophobicContact CE2-CG2 3.48Å; Y490-V597 VanDerWaalsContact CE2-CG2 3.48Å; Y490-V597 VanDerWaalsContact CZ-CG1 3.44Å; Y490-V597 WeakPolarHBondContact OH-CG1 3.42Å; V597-T601 VanDerWaalsContact CA-O 3.32Å; V597-T601 WeakPolarHBondContact CA-O 3.05Å; V597-E602 HydrophobicContact CG2-CB 4.33Å
598	Y	88.4	Confident	84	Confident	28 Å²	28	47.1 Å²	47.1	11%	0.11	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142.9	173.3	-60.3	-78	0	0	0	108.7	L454 L470 F582 R596 A600 T601 F603	L454-Y598 HydrophobicContact CD1-CD1 3.86Å; L454-Y598 HydrophobicContact CD1-CE1 3.3Å; L470-Y598 HydrophobicContact CD2-CE1 4.33Å; F582-Y598 HydrophobicContact CB-CD1 3.82Å; F582-Y598 HydrophobicContact CB-CD2 4.37Å; F582-Y598 HydrophobicContact CB-CE1 3.6Å; F582-Y598 HydrophobicContact CB-CE2 4.15Å; F582-Y598 HydrophobicContact CB-CG 4.21Å; F582-Y598 HydrophobicContact CD2-CD1 4.25Å; F582-Y598 AromaticContact CD2-CD2 3.37Å; F582-Y598 HydrophobicContact CD2-CD2 3.37Å; F582-Y598 HydrophobicContact CD2-CE1 4.4Å; F582-Y598 AromaticContact CD2-CE2 3.53Å; F582-Y598 HydrophobicContact CD2-CE2 3.53Å; F582-Y598 AromaticContact CD2-CG 3.76Å; F582-Y598 HydrophobicContact CD2-CG 3.76Å; F582-Y598 AromaticContact CE2-CD2 3.86Å; F582-Y598 HydrophobicContact CE2-CD2 3.86Å; F582-Y598 HydrophobicContact CE2-CE2 4.35Å; F582-Y598 HydrophobicContact CE2-CG 4.3Å; F582-Y598 HydrophobicContact CG-CD1 4.2Å; F582-Y598 HydrophobicContact CG-CD2 4.14Å; F582-Y598 HydrophobicContact CG-CE1 4.35Å; F582-Y598 HydrophobicContact CG-CE2 4.26Å; F582-Y598 HydrophobicContact CG-CG 4.11Å; F582-Y598 PolarHBondContact O-OH 3.01Å; F582-Y598 VanDerWaalsContact O-OH 3.1Å; R596-Y598 HydrophobicContact CB-CD2 3.93Å; R596-Y598 HydrophobicContact CB-CE2 3.27Å; R596-Y598 HydrophobicContact CG-CE2 4.03Å; Y598-A600 VanDerWaalsContact C-N 3.29Å; Y598-A600 PolarHBondContact O-N 3.41Å; Y598-T601 PolarHBondContact N-O 3.48Å; Y598-T601 WeakPolarHBondContact O-CA 3.28Å; Y598-T601 WeakPolarHBondContact O-CB 3.33Å; Y598-T601 PolarHBondContact O-N 3.22Å; Y598-F603 HydrophobicContact CD2-CD2 4.13Å
599	F	84.4	Confident	83.9	Confident	31 Å²	31	49.6 Å²	49.6	14%	0.136	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	43.1	179.1	-41.1	-74.9	0	0	0	113.6	D575 F582 T601 F603 V631	D575-F599 HydrophobicContact CB-CE1 4.4Å; D575-F599 HydrophobicContact CB-CZ 3.72Å; D575-F599 WeakPolarHBondContact OD2-CE1 3.46Å; D575-F599 WeakPolarHBondContact OD2-CZ 3.4Å; F582-F599 HydrophobicContact CD1-CE2 4.12Å; F582-F599 HydrophobicContact CD1-CZ 4.38Å; F582-F599 AromaticContact CE1-CE2 3.69Å; F582-F599 HydrophobicContact CE1-CE2 3.69Å; F582-F599 HydrophobicContact CE1-CZ 4.22Å; F582-F599 HydrophobicContact CZ-CE2 4.06Å; F599-T601 PolarHBondContact O-N 3.4Å; F599-T601 VanDerWaalsContact O-N 3.15Å; F599-T601 PolarHBondContact O-OG1 3.17Å; F599-F603 HydrophobicContact CD2-CE2 4.37Å; F599-V631 HydrophobicContact CD2-CG2 4.12Å; F599-V631 HydrophobicContact CE2-CG2 3.75Å; F599-V631 HydrophobicContact CZ-CG2 4.49Å
600	A	86.1	Confident	83.7	Confident	17 Å²	17	47 Å²	47	14%	0.14	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	31	-174.1	0	0	0	0	0	114.1	D432 Y490 Y598 Y628	D432-A600 HydrophobicContact CB-CB 3.77Å; Y490-A600 WeakPolarHBondContact CD1-O 3.28Å; Y490-A600 HydrophobicContact CE1-CB 4.48Å; Y598-A600 VanDerWaalsContact C-N 3.29Å; Y598-A600 PolarHBondContact O-N 3.41Å; A600-Y628 HydrophobicContact CB-CD2 3.93Å; A600-Y628 HydrophobicContact CB-CE2 4.24Å
601	T	90.7	Very high	83.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.4	-177.8	-60.3	0	0	0	0	110.1	V597 Y598 F599 F603 T623 K624 T626 I627	V597-T601 VanDerWaalsContact CA-O 3.32Å; V597-T601 WeakPolarHBondContact CA-O 3.05Å; Y598-T601 PolarHBondContact N-O 3.48Å; Y598-T601 WeakPolarHBondContact O-CA 3.28Å; Y598-T601 WeakPolarHBondContact O-CB 3.33Å; Y598-T601 PolarHBondContact O-N 3.22Å; F599-T601 PolarHBondContact O-N 3.4Å; F599-T601 VanDerWaalsContact O-N 3.15Å; F599-T601 PolarHBondContact O-OG1 3.17Å; T601-F603 HydrophobicContact CG2-CD2 4.35Å; T601-F603 HydrophobicContact CG2-CE2 4.05Å; T601-F603 PolarHBondContact O-N 3.01Å; T601-T623 HydrophobicContact CG2-CG2 3.96Å; T601-K624 WeakPolarHBondContact CG2-O 3.25Å; T601-T626 PolarHBondContact OG1-O 2.66Å; T601-I627 HydrophobicContact CG2-CG1 4.09Å; T601-I627 WeakPolarHBondContact OG1-CA 3.4Å
602	E	92.9	Very high	83.3	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.056	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	114.8	171.1	-178.8	-179.1	-116.7	0	0	109.4	Y490 R595 R596 V597 V604 T623 K624	Y490-E602 HydrophobicContact CD2-CB 4.03Å; Y490-E602 HydrophobicContact CG-CB 4.32Å; R595-E602 HydrophobicContact CB-CG 4.49Å; R596-E602 CarbonylContact O-C 3.55Å; V597-E602 HydrophobicContact CG2-CB 4.33Å; E602-V604 HydrophobicContact CG-CG2 4.04Å; E602-T623 CarbonylContact O-C 3.56Å; E602-T623 WeakPolarHBondContact O-CA 3.35Å; E602-K624 HydrophobicContact CB-CB 4.27Å; E602-K624 PolarHBondContact N-O 3.48Å; E602-K624 VanDerWaalsContact N-O 3.13Å; E602-K624 PolarHBondContact O-N 3.34Å; E602-K624 WeakPolarHBondContact OE2-CD 3.37Å; E602-K624 VanDerWaalsContact OE2-CE 3.28Å; E602-K624 WeakPolarHBondContact OE2-CE 3.22Å; E602-K624 IonicContact OE2-NZ 3.36Å; E602-K624 PolarHBondContact OE2-NZ 3.37Å
603	F	93.6	Very high	82.4	Confident	9 Å²	9	51 Å²	51	4%	0.039	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.6	167.1	-70.8	-101.6	0	0	0	109.1	L560 L573 F582 R595 R596 Y598 F599 T601 I621 T623 I627 V631	L560-F603 HydrophobicContact CD2-CE1 4.43Å; L573-F603 HydrophobicContact CD1-CD1 3.85Å; L573-F603 HydrophobicContact CD1-CE1 4.06Å; F582-F603 HydrophobicContact CE2-CD1 4.35Å; F582-F603 HydrophobicContact CE2-CD2 4.49Å; F582-F603 HydrophobicContact CE2-CE1 4.25Å; F582-F603 HydrophobicContact CE2-CE2 4.41Å; F582-F603 HydrophobicContact CE2-CG 4.48Å; F582-F603 HydrophobicContact CE2-CZ 4.29Å; F582-F603 HydrophobicContact CZ-CE1 4.23Å; F582-F603 HydrophobicContact CZ-CZ 4.13Å; R595-F603 WeakPolarHBondContact CA-O 3.05Å; R596-F603 PolarHBondContact N-O 3.04Å; R596-F603 PolarHBondContact O-N 2.91Å; Y598-F603 HydrophobicContact CD2-CD2 4.13Å; F599-F603 HydrophobicContact CD2-CE2 4.37Å; T601-F603 HydrophobicContact CG2-CD2 4.35Å; T601-F603 HydrophobicContact CG2-CE2 4.05Å; T601-F603 PolarHBondContact O-N 3.01Å; F603-I621 HydrophobicContact CD1-CG2 4.38Å; F603-T623 HydrophobicContact CD1-CG2 3.6Å; F603-T623 HydrophobicContact CE1-CG2 3.51Å; F603-T623 HydrophobicContact CE2-CG2 4.46Å; F603-T623 HydrophobicContact CG-CG2 4.14Å; F603-T623 HydrophobicContact CZ-CG2 3.96Å; F603-I627 HydrophobicContact CZ-CD1 4.42Å; F603-I627 HydrophobicContact CZ-CG1 4.49Å; F603-V631 HydrophobicContact CZ-CG2 4.41Å
604	V	92.4	Very high	81.2	Confident	12 Å²	12	48.1 Å²	48.1	7%	0.073	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	109.3	178.4	-177	0	0	0	0	107.9	K593 L594 R595 E602 I621 Q622	K593-V604 HydrophobicContact CD-CG1 4.27Å; K593-V604 HydrophobicContact CG-CG1 4.19Å; L594-V604 WeakPolarHBondContact O-CA 3.32Å; R595-V604 HydrophobicContact CG-CG1 4.49Å; R595-V604 HydrophobicContact CG-CG2 4.36Å; E602-V604 HydrophobicContact CG-CG2 4.04Å; V604-I621 WeakPolarHBondContact O-CA 2.98Å; V604-Q622 PolarHBondContact N-O 3Å; V604-Q622 PolarHBondContact O-N 3Å
605	F	90.5	Very high	79.6	Confident	16 Å²	16	49.8 Å²	49.8	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122	172.7	175.3	-85.6	0	0	0	108.7	L583 L588 K593 L594 P607 I619 I621	L583-F605 HydrophobicContact CD2-CD2 4.34Å; L588-F605 HydrophobicContact CB-CE1 4.49Å; L588-F605 HydrophobicContact CD1-CD1 3.95Å; L588-F605 HydrophobicContact CD1-CD2 3.72Å; L588-F605 HydrophobicContact CD1-CE1 3.77Å; L588-F605 HydrophobicContact CD1-CE2 3.55Å; L588-F605 HydrophobicContact CD1-CG 3.95Å; L588-F605 HydrophobicContact CD1-CZ 3.58Å; K593-F605 CarbonylContact C-O 3.59Å; K593-F605 WeakPolarHBondContact CA-O 3.3Å; K593-F605 WeakPolarHBondContact CG-O 3.24Å; L594-F605 HydrophobicContact CB-CB 4.13Å; L594-F605 HydrophobicContact CB-CD1 4.44Å; L594-F605 PolarHBondContact N-O 3.5Å; L594-F605 PolarHBondContact O-N 2.89Å; F605-P607 HydrophobicContact CE1-CB 4.08Å; F605-I619 HydrophobicContact CD2-CG2 4.44Å; F605-I619 HydrophobicContact CE2-CG2 3.5Å; F605-I619 HydrophobicContact CZ-CG2 3.62Å; F605-I621 HydrophobicContact CD2-CD1 4.05Å; F605-I621 HydrophobicContact CD2-CG1 3.79Å; F605-I621 HydrophobicContact CE2-CG1 4.41Å
606	D	88.8	Confident	78.1	Confident	49 Å²	49	50.3 Å²	50.3	26%	0.262	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.1	179.4	-159.5	-36.1	0	0	0	108.2	K593 G608 Q620	K593-D606 WeakPolarHBondContact CE-OD2 3.02Å; K593-D606 IonicContact NZ-OD2 2.74Å; K593-D606 PolarHBondContact NZ-OD2 3.44Å; D606-G608 PolarHBondContact O-N 2.8Å; D606-G608 VanDerWaalsContact O-N 3.15Å; D606-G608 PolarHBondContact OD1-N 3.28Å; D606-Q620 HydrophobicContact CB-CB 4.42Å; D606-Q620 PolarHBondContact N-O 3.47Å; D606-Q620 PolarHBondContact O-N 2.81Å
607	P	82.2	Confident	77	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.058	28%	0.281	C	S	.	.			trans	-68.5	-9.6	-178.4	27.2	-33.1	0	0	0	113.4	Y566 L590 F605	Y566-P607 PolarHBondContact OH-O 3.29Å; L590-P607 WeakPolarHBondContact O-CB 3.04Å; L590-P607 WeakPolarHBondContact O-CG 3.28Å; F605-P607 HydrophobicContact CE1-CB 4.08Å
608	G	77.1	Confident	76.4	Confident	26 Å²	26	53.3 Å²	53.3	27%	0.268	30%	0.295	S	S	.	.			trans	69.2	-172.5	-177.3	0	0	0	0	0	112.5	Y566 D606	Y566-G608 WeakPolarHBondContact OH-CA 3.37Å; D606-G608 PolarHBondContact O-N 2.8Å; D606-G608 VanDerWaalsContact O-N 3.15Å; D606-G608 PolarHBondContact OD1-N 3.28Å
609	N	72.8	Confident	76.3	Confident	85 Å²	85	52.8 Å²	52.8	46%	0.455	29%	0.294	S	S	.	.			trans	-117.7	113.5	172	-177.6	-10.8	0	0	0	109.9	Y566 M611 S612 D616	Y566-N609 VanDerWaalsContact OH-C 3.27Å; Y566-N609 PolarHBondContact OH-N 3.27Å; Y566-N609 VanDerWaalsContact OH-N 3.15Å; N609-M611 PolarHBondContact O-N 2.88Å; N609-M611 VanDerWaalsContact O-N 3.08Å; N609-M611 WeakPolarHBondContact OD1-CB 3.42Å; N609-M611 PolarHBondContact OD1-N 2.99Å; N609-S612 WeakPolarHBondContact O-CB 3.35Å; N609-S612 PolarHBondContact O-N 3.43Å; N609-D616 PolarHBondContact N-O 3.22Å
610	P	65.9	Low	76.6	Confident	94 Å²	94	52.4 Å²	52.4	61%	0.61	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.7	-178.8	24.9	-32.8	0	0	0	114	Y566	Y566-P610 HydrophobicContact CD1-CB 4.38Å; Y566-P610 HydrophobicContact CD2-CB 4.24Å; Y566-P610 HydrophobicContact CE1-CB 4.08Å; Y566-P610 HydrophobicContact CE2-CB 3.89Å; Y566-P610 HydrophobicContact CG-CB 4.48Å
611	M	64.3	Low	77	Confident	171 Å²	171	51.7 Å²	51.7	84%	0.842	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.7	176.4	-61.2	-165.5	72.1	0	0	113.8	N609	N609-M611 PolarHBondContact O-N 2.88Å; N609-M611 VanDerWaalsContact O-N 3.08Å; N609-M611 WeakPolarHBondContact OD1-CB 3.42Å; N609-M611 PolarHBondContact OD1-N 2.99Å
612	S	62.5	Low	77.2	Confident	32 Å²	32	55.6 Å²	55.6	22%	0.224	31%	0.305	C	S	.	.			trans	-75	140.9	177.8	-167.9	0	0	0	0	110.9	N609 S614 S617	N609-S612 WeakPolarHBondContact O-CB 3.35Å; N609-S612 PolarHBondContact O-N 3.43Å; S612-S614 PolarHBondContact OG-N 3.29Å; S612-S614 PolarHBondContact OG-OG 3.02Å; S612-S617 WeakPolarHBondContact O-CB 3.17Å
613	K	56.8	Low	77.3	Confident	216 Å²	216	55.6 Å²	55.6	94%	0.939	31%	0.306	S	S	*	.	S	Bend	trans	-94.3	2	170.5	-67	-175.6	178.2	-179.9	0	112.8
614	S	60.1	Low	77.2	Confident	50 Å²	50	58.1 Å²	58.1	35%	0.35	32%	0.317	S	S	.	.	S	Bend	trans	-88.2	-178.5	176.2	69.3	0	0	0	0	110.9	S612 D616 S617	S612-S614 PolarHBondContact OG-N 3.29Å; S612-S614 PolarHBondContact OG-OG 3.02Å; S614-D616 PolarHBondContact O-N 3.2Å; S614-D616 VanDerWaalsContact OG-CB 3.26Å; S614-D616 WeakPolarHBondContact OG-CB 3.49Å; S614-D616 PolarHBondContact OG-N 3.3Å; S614-D616 VanDerWaalsContact OG-N 3.12Å; S614-D616 PolarHBondContact OG-OD2 2.8Å; S614-S617 WeakPolarHBondContact O-CB 3.2Å; S614-S617 PolarHBondContact O-N 2.87Å; S614-S617 PolarHBondContact O-OG 3.11Å; S614-S617 VanDerWaalsContact O-OG 3.13Å
615	A	54.3	Low	77	Confident	64 Å²	64	58.5 Å²	58.5	53%	0.529	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-56.2	-9.2	168.6	0	0	0	0	0	114.3	S617 Q620	A615-S617 PolarHBondContact O-N 2.74Å; A615-Q620 PolarHBondContact O-NE2 2.73Å; A615-Q620 VanDerWaalsContact O-NE2 3.07Å
616	D	57.2	Low	77	Confident	92 Å²	92	58.9 Å²	58.9	49%	0.492	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-72.7	-5	170	-50.4	-43.4	0	0	0	112.4	N609 S614 F618	N609-D616 PolarHBondContact N-O 3.22Å; S614-D616 PolarHBondContact O-N 3.2Å; S614-D616 VanDerWaalsContact OG-CB 3.26Å; S614-D616 WeakPolarHBondContact OG-CB 3.49Å; S614-D616 PolarHBondContact OG-N 3.3Å; S614-D616 VanDerWaalsContact OG-N 3.12Å; S614-D616 PolarHBondContact OG-OD2 2.8Å; D616-F618 PolarHBondContact O-N 3.3Å
617	S	65.5	Low	77	Confident	32 Å²	32	56.6 Å²	56.6	22%	0.224	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-77.7	16.3	173.4	81.4	0	0	0	0	113.6	Y566 S612 S614 A615	Y566-S617 WeakPolarHBondContact CD2-O 3.47Å; Y566-S617 WeakPolarHBondContact CE2-O 3.46Å; S612-S617 WeakPolarHBondContact O-CB 3.17Å; S614-S617 WeakPolarHBondContact O-CB 3.2Å; S614-S617 PolarHBondContact O-N 2.87Å; S614-S617 PolarHBondContact O-OG 3.11Å; S614-S617 VanDerWaalsContact O-OG 3.13Å; A615-S617 PolarHBondContact O-N 2.74Å
618	F	77.3	Confident	77.2	Confident	74 Å²	74	60 Å²	60	33%	0.325	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.1	-177.8	-67.8	-94.3	0	0	0	109.5	K564 N565 D616 Q620	K564-F618 WeakPolarHBondContact O-CA 3.47Å; N565-F618 HydrophobicContact CB-CE1 4.27Å; D616-F618 PolarHBondContact O-N 3.3Å; F618-Q620 PolarHBondContact O-N 3.17Å
619	I	85.9	Confident	77.5	Confident	17 Å²	17	58.8 Å²	58.8	9%	0.087	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.4	166.6	-66.6	161.2	0	0	0	107	S563 K564 Y566 L590 F605	S563-I619 CarbonylContact C-O 3.53Å; S563-I619 WeakPolarHBondContact CA-O 3.44Å; K564-I619 HydrophobicContact CB-CB 4.46Å; K564-I619 VanDerWaalsContact CE-CD1 3.46Å; K564-I619 PolarHBondContact N-O 3.24Å; K564-I619 PolarHBondContact O-N 2.93Å; Y566-I619 HydrophobicContact CD1-CD1 4.15Å; Y566-I619 HydrophobicContact CD1-CG1 4.23Å; Y566-I619 HydrophobicContact CE1-CD1 4.16Å; Y566-I619 HydrophobicContact CE1-CG1 3.81Å; L590-I619 HydrophobicContact CD2-CD1 4.49Å; F605-I619 HydrophobicContact CD2-CG2 4.44Å; F605-I619 HydrophobicContact CE2-CG2 3.5Å; F605-I619 HydrophobicContact CZ-CG2 3.62Å
620	Q	91.5	Very high	78.3	Confident	24 Å²	24	56.7 Å²	56.7	11%	0.112	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.2	-175.6	-62.8	-173.2	13	0	0	112	I562 D606 A615 F618	I562-Q620 CarbonylContact O-C 3.53Å; I562-Q620 VanDerWaalsContact O-CA 3.27Å; I562-Q620 WeakPolarHBondContact O-CA 3.18Å; D606-Q620 HydrophobicContact CB-CB 4.42Å; D606-Q620 PolarHBondContact N-O 3.47Å; D606-Q620 PolarHBondContact O-N 2.81Å; A615-Q620 PolarHBondContact O-NE2 2.73Å; A615-Q620 VanDerWaalsContact O-NE2 3.07Å; F618-Q620 PolarHBondContact O-N 3.17Å
621	I	93.7	Very high	79.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.5	168.1	-49.4	-176.7	0	0	0	107.4	K561 I562 L571 L573 L583 F603 V604 F605	K561-I621 CarbonylContact C-O 3.52Å; K561-I621 WeakPolarHBondContact CA-O 3.46Å; I562-I621 HydrophobicContact CB-CB 4.11Å; I562-I621 HydrophobicContact CD1-CB 4.23Å; I562-I621 HydrophobicContact CD1-CD1 4.43Å; I562-I621 HydrophobicContact CG1-CB 4.49Å; I562-I621 PolarHBondContact N-O 2.66Å; I562-I621 PolarHBondContact O-N 3.09Å; L571-I621 HydrophobicContact CD1-CD1 4.37Å; L573-I621 HydrophobicContact CD1-CD1 4.32Å; L573-I621 HydrophobicContact CD1-CG2 4.22Å; L573-I621 HydrophobicContact CD2-CD1 4.46Å; L573-I621 HydrophobicContact CG-CD1 4.49Å; L583-I621 HydrophobicContact CD2-CD1 4.13Å; F603-I621 HydrophobicContact CD1-CG2 4.38Å; V604-I621 WeakPolarHBondContact O-CA 2.98Å; F605-I621 HydrophobicContact CD2-CD1 4.05Å; F605-I621 HydrophobicContact CD2-CG1 3.79Å; F605-I621 HydrophobicContact CE2-CG1 4.41Å
622	Q	94.9	Very high	81	Confident	81 Å²	81	44.1 Å²	44.1	38%	0.379	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.3	179.9	-61.1	-179.5	14.4	0	0	110.6	L560 K561 V604	L560-Q622 CarbonylContact O-C 3.54Å; L560-Q622 VanDerWaalsContact O-CA 3.26Å; L560-Q622 WeakPolarHBondContact O-CA 3.4Å; K561-Q622 HydrophobicContact CB-CG 4.5Å; K561-Q622 HydrophobicContact CG-CG 4.14Å; V604-Q622 PolarHBondContact N-O 3Å; V604-Q622 PolarHBondContact O-N 3Å
623	T	95	Very high	82.6	Confident	13 Å²	13	42.6 Å²	42.6	8%	0.08	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.7	174.5	65.7	0	0	0	0	112.9	L560 T601 E602 F603 I627	L560-T623 HydrophobicContact CB-CG2 3.86Å; L560-T623 WeakPolarHBondContact CB-OG1 3.46Å; L560-T623 HydrophobicContact CD2-CG2 3.98Å; L560-T623 HydrophobicContact CG-CG2 4.33Å; L560-T623 PolarHBondContact N-OG1 3.49Å; L560-T623 VanDerWaalsContact N-OG1 3.14Å; L560-T623 PolarHBondContact O-N 2.95Å; T601-T623 HydrophobicContact CG2-CG2 3.96Å; E602-T623 CarbonylContact O-C 3.56Å; E602-T623 WeakPolarHBondContact O-CA 3.35Å; F603-T623 HydrophobicContact CD1-CG2 3.6Å; F603-T623 HydrophobicContact CE1-CG2 3.51Å; F603-T623 HydrophobicContact CE2-CG2 4.46Å; F603-T623 HydrophobicContact CG-CG2 4.14Å; F603-T623 HydrophobicContact CZ-CG2 3.96Å; T623-I627 HydrophobicContact CG2-CD1 4.09Å; T623-I627 HydrophobicContact CG2-CG1 4.4Å
624	K	92.6	Very high	84.3	Confident	61 Å²	61	33.2 Å²	33.2	27%	0.265	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.4	166	-61.3	-175.3	-168.2	165.7	0	109.3	Y490 D491 T601 E602	Y490-K624 WeakPolarHBondContact CB-O 3.38Å; Y490-K624 CarbonylContact O-C 3.41Å; D491-K624 HydrophobicContact CB-CB 3.95Å; D491-K624 HydrophobicContact CB-CD 3.88Å; D491-K624 HydrophobicContact CB-CG 4.17Å; T601-K624 WeakPolarHBondContact CG2-O 3.25Å; E602-K624 HydrophobicContact CB-CB 4.27Å; E602-K624 PolarHBondContact N-O 3.48Å; E602-K624 VanDerWaalsContact N-O 3.13Å; E602-K624 PolarHBondContact O-N 3.34Å; E602-K624 WeakPolarHBondContact OE2-CD 3.37Å; E602-K624 VanDerWaalsContact OE2-CE 3.28Å; E602-K624 WeakPolarHBondContact OE2-CE 3.22Å; E602-K624 IonicContact OE2-NZ 3.36Å; E602-K624 PolarHBondContact OE2-NZ 3.37Å
625	G	88.4	Confident	85.8	Confident	20 Å²	20	30.9 Å²	30.9	21%	0.206	17%	0.167	C	C	.	.	S	Bend	trans	105.8	-171.6	-176.2	0	0	0	0	0	113.2	Y490	Y490-G625 WeakPolarHBondContact O-CA 3.41Å; Y490-G625 PolarHBondContact O-N 3.21Å
626	T	89.3	Confident	87.4	Confident	25 Å²	25	31.7 Å²	31.7	15%	0.153	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-99.1	127.2	179.2	-60	0	0	0	0	109.2	Y556 R558 T601 Y628	Y556-T626 HydrophobicContact CD1-CG2 4.27Å; R558-T626 HydrophobicContact CG-CG2 4.19Å; R558-T626 PolarHBondContact NE-OG1 3.41Å; R558-T626 VanDerWaalsContact NE-OG1 3.13Å; T601-T626 PolarHBondContact OG1-O 2.66Å; T626-Y628 HydrophobicContact CG2-CE1 4.5Å; T626-Y628 HydrophobicContact CG2-CE2 4.39Å; T626-Y628 WeakPolarHBondContact O-CD2 3.29Å; T626-Y628 VanDerWaalsContact O-CE2 3.32Å; T626-Y628 WeakPolarHBondContact O-CE2 3.01Å; T626-Y628 PolarHBondContact O-N 3.18Å
627	I	90.5	Very high	88.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.			trans	-77	110.3	180	-54.9	171.7	0	0	0	108.9	I553 R555 Y556 A557 L560 T601 F603 T623 G629 V631	I553-I627 HydrophobicContact CG2-CD1 4.09Å; R555-I627 CarbonylContact C-O 3.55Å; Y556-I627 WeakPolarHBondContact CA-O 3.04Å; Y556-I627 PolarHBondContact N-O 3.31Å; A557-I627 HydrophobicContact CB-CD1 4.36Å; A557-I627 PolarHBondContact O-N 3.2Å; L560-I627 HydrophobicContact CB-CD1 4Å; L560-I627 HydrophobicContact CD2-CD1 3.73Å; T601-I627 HydrophobicContact CG2-CG1 4.09Å; T601-I627 WeakPolarHBondContact OG1-CA 3.4Å; F603-I627 HydrophobicContact CZ-CD1 4.42Å; F603-I627 HydrophobicContact CZ-CG1 4.49Å; T623-I627 HydrophobicContact CG2-CD1 4.09Å; T623-I627 HydrophobicContact CG2-CG1 4.4Å; I627-G629 VanDerWaalsContact C-N 3.32Å; I627-G629 VanDerWaalsContact CG2-O 3.31Å; I627-G629 WeakPolarHBondContact CG2-O 3.18Å; I627-G629 PolarHBondContact O-N 3.22Å; I627-V631 HydrophobicContact CG2-CG2 3.84Å
628	Y	84.9	Confident	89.5	Confident	80 Å²	80	29.5 Å²	29.5	31%	0.314	14%	0.142	S	C	.	.			trans	-85.4	0.7	-177.5	-71.3	-85.2	0	0	0	115.1	S430 Y556 A600 T626	S430-Y628 VanDerWaalsContact CB-CD1 3.44Å; S430-Y628 WeakPolarHBondContact OG-CB 3.26Å; S430-Y628 VanDerWaalsContact OG-CD1 3.22Å; S430-Y628 WeakPolarHBondContact OG-CD1 3.44Å; Y556-Y628 HydrophobicContact CD1-CD1 4.13Å; Y556-Y628 HydrophobicContact CD1-CE1 4.34Å; Y556-Y628 AromaticContact CE1-CD1 3.79Å; Y556-Y628 HydrophobicContact CE1-CD1 3.79Å; Y556-Y628 HydrophobicContact CE1-CE1 4.1Å; A600-Y628 HydrophobicContact CB-CD2 3.93Å; A600-Y628 HydrophobicContact CB-CE2 4.24Å; T626-Y628 HydrophobicContact CG2-CE1 4.5Å; T626-Y628 HydrophobicContact CG2-CE2 4.39Å; T626-Y628 WeakPolarHBondContact O-CD2 3.29Å; T626-Y628 VanDerWaalsContact O-CE2 3.32Å; T626-Y628 WeakPolarHBondContact O-CE2 3.01Å; T626-Y628 PolarHBondContact O-N 3.18Å
629	G	84.4	Confident	89.4	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	-123.2	168.9	177.2	0	0	0	0	0	112.9	R555 I627	R555-G629 WeakPolarHBondContact CA-O 3.09Å; I627-G629 VanDerWaalsContact C-N 3.32Å; I627-G629 VanDerWaalsContact CG2-O 3.31Å; I627-G629 WeakPolarHBondContact CG2-O 3.18Å; I627-G629 PolarHBondContact O-N 3.22Å
630	D	89.3	Confident	88.3	Confident	42 Å²	42	32.5 Å²	32.5	23%	0.225	16%	0.16	C	C	.	.			trans	-88.1	123.8	173	-59.3	-51.6	0	0	0	109.2	R555 M576	R555-D630 IonicContact CZ-OD2 3.9Å; R555-D630 PolarHBondContact N-OD1 3.37Å; R555-D630 IonicContact NE-OD1 3.54Å; R555-D630 IonicContact NE-OD2 2.89Å; R555-D630 PolarHBondContact NE-OD2 3.46Å; R555-D630 IonicContact NH2-OD2 3.67Å; R555-D630 PolarHBondContact NH2-OD2 2.89Å; M576-D630 HydrophobicContact CB-CB 3.95Å; M576-D630 WeakPolarHBondContact CB-O 3.01Å; M576-D630 HydrophobicContact CG-CB 4.29Å; M576-D630 PolarHBondContact N-O 3.48Å; M576-D630 VanDerWaalsContact N-O 3.16Å
631	V	92.9	Very high	87	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.4	-173.3	176.5	0	0	0	0	110.3	I553 L573 F582 F599 F603 I627	I553-V631 HydrophobicContact CB-CB 4.37Å; I553-V631 PolarHBondContact N-O 3.33Å; I553-V631 PolarHBondContact O-N 2.82Å; L573-V631 HydrophobicContact CB-CG1 4.3Å; L573-V631 HydrophobicContact CD2-CG1 4.46Å; F582-V631 HydrophobicContact CE1-CG1 3.91Å; F582-V631 HydrophobicContact CE1-CG2 4.24Å; F582-V631 HydrophobicContact CZ-CG1 3.7Å; F582-V631 HydrophobicContact CZ-CG2 4.19Å; F599-V631 HydrophobicContact CD2-CG2 4.12Å; F599-V631 HydrophobicContact CE2-CG2 3.75Å; F599-V631 HydrophobicContact CZ-CG2 4.49Å; F603-V631 HydrophobicContact CZ-CG2 4.41Å; I627-V631 HydrophobicContact CG2-CG2 3.84Å
632	A	94.4	Very high	85.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.7	172.7	0	0	0	0	0	111.1	M549 V552 F574 M576	M549-A632 HydrophobicContact CE-CB 3.94Å; M549-A632 HydrophobicContact CG-CB 4.39Å; V552-A632 HydrophobicContact CG2-CB 4.26Å; F574-A632 HydrophobicContact CB-CB 4.17Å; F574-A632 PolarHBondContact N-O 2.99Å; F574-A632 PolarHBondContact O-N 3Å; M576-A632 HydrophobicContact CG-CB 4.03Å; M576-A632 HydrophobicContact SD-CB 3.65Å
633	I	95	Very high	83.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.7	167.8	-57	167	0	0	0	106.9	L550 Y551 I553 I562 L571 L573 I651	L550-I633 WeakPolarHBondContact CB-O 3.38Å; L550-I633 HydrophobicContact CD1-CG2 4.48Å; L550-I633 PolarHBondContact N-O 3.35Å; Y551-I633 PolarHBondContact N-O 3.2Å; Y551-I633 PolarHBondContact O-N 3.46Å; I553-I633 HydrophobicContact CD1-CD1 4.03Å; I553-I633 HydrophobicContact CG1-CD1 4.02Å; I553-I633 HydrophobicContact CG1-CG1 4.38Å; I562-I633 HydrophobicContact CD1-CD1 3.43Å; I562-I633 VanDerWaalsContact CD1-CD1 3.43Å; I562-I633 HydrophobicContact CD1-CG1 3.83Å; I562-I633 HydrophobicContact CG1-CD1 3.92Å; L571-I633 HydrophobicContact CD2-CG2 4.25Å; L573-I633 HydrophobicContact CD2-CG1 3.97Å; I633-I651 HydrophobicContact CD1-CD1 3.62Å; I633-I651 HydrophobicContact CD1-CG1 3.93Å; I633-I651 HydrophobicContact CD1-CG2 4.29Å
634	Q	93	Very high	81.9	Confident	20 Å²	20	51.6 Å²	51.6	9%	0.093	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	159.2	175.3	-48.4	-163.2	18.6	0	0	110.1	Y547 R548 L571 G572 F574 F581	Y547-Q634 HydrophobicContact CD1-CB 4.01Å; Y547-Q634 HydrophobicContact CG-CB 4.47Å; Y547-Q634 PolarHBondContact O-OE1 3.5Å; R548-Q634 CarbonylContact O-C 3.51Å; R548-Q634 WeakPolarHBondContact O-CA 3.37Å; R548-Q634 WeakPolarHBondContact O-CB 3.39Å; L571-Q634 CarbonylContact C-O 3.56Å; L571-Q634 WeakPolarHBondContact CA-O 3.29Å; G572-Q634 PolarHBondContact N-O 2.94Å; G572-Q634 PolarHBondContact O-N 2.02Å; F574-Q634 HydrophobicContact CB-CG 4.32Å; F581-Q634 HydrophobicContact CE1-CB 4.24Å; F581-Q634 HydrophobicContact CE1-CG 4.24Å; F581-Q634 HydrophobicContact CZ-CG 4.45Å
635	A	91.8	Very high	81.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.4	174.3	0	0	0	0	0	112.4	L541 R548 L550 V570 L571 L647	L541-A635 HydrophobicContact CD1-CB 3.78Å; R548-A635 PolarHBondContact N-O 2.78Å; R548-A635 PolarHBondContact O-N 2.04Å; L550-A635 HydrophobicContact CD1-CB 3.5Å; L550-A635 HydrophobicContact CD2-CB 4.35Å; L550-A635 HydrophobicContact CG-CB 3.97Å; V570-A635 WeakPolarHBondContact O-CA 3.48Å; L571-A635 HydrophobicContact CD2-CB 3.88Å; A635-L647 HydrophobicContact CB-CD2 3.6Å
636	R	87.6	Confident	80.9	Confident	82 Å²	82	55.2 Å²	55.2	31%	0.309	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.9	177.8	176	173.2	-177.5	-150	0	109.6	E545 Y547 H569 V570 D586 L638	E545-R636 WeakPolarHBondContact O-CG 2.97Å; E545-R636 PolarHBondContact O-NE 2.84Å; Y547-R636 HydrophobicContact CD1-CB 3.92Å; Y547-R636 HydrophobicContact CD2-CB 4.28Å; Y547-R636 HydrophobicContact CE1-CB 3.97Å; Y547-R636 HydrophobicContact CE2-CB 4.34Å; Y547-R636 HydrophobicContact CG-CB 4.08Å; H569-R636 CarbonylContact C-O 3.59Å; H569-R636 VanDerWaalsContact CA-O 3.29Å; H569-R636 WeakPolarHBondContact CA-O 3.49Å; V570-R636 HydrophobicContact CG2-CB 3.96Å; V570-R636 PolarHBondContact N-O 2.84Å; V570-R636 PolarHBondContact O-N 2.85Å; D586-R636 IonicContact OD2-NH1 3.95Å; D586-R636 PolarHBondContact OD2-NH1 3Å; D586-R636 VanDerWaalsContact OD2-NH1 3.09Å; R636-L638 HydrophobicContact CG-CD2 4.44Å
637	N	86.7	Confident	80.8	Confident	3 Å²	3	54 Å²	54	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.3	172.6	-168.3	-7.8	0	0	0	109.7	L541 N639 L644	L541-N637 HydrophobicContact CB-CB 4.1Å; L541-N637 PolarHBondContact O-ND2 2.98Å; N637-N639 WeakPolarHBondContact OD1-CB 2.9Å; N637-N639 PolarHBondContact OD1-N 2.92Å; N637-L644 WeakPolarHBondContact ND2-CD2 3.32Å
638	L	81	Confident	80.9	Confident	75 Å²	75	55.1 Å²	55.1	39%	0.393	27%	0.274	S	S	.	.			trans	-89.8	-5.7	178.3	-59.4	-178.1	0	0	0	113.2	N568 V570 D586 R636	N568-L638 VanDerWaalsContact O-CB 3.28Å; N568-L638 WeakPolarHBondContact O-CB 2.97Å; N568-L638 PolarHBondContact O-N 3.37Å; V570-L638 HydrophobicContact CG1-CD1 3.53Å; V570-L638 HydrophobicContact CG1-CG 4.13Å; V570-L638 HydrophobicContact CG2-CD1 4.31Å; V570-L638 HydrophobicContact CG2-CD2 4.11Å; V570-L638 HydrophobicContact CG2-CG 4.11Å; D586-L638 HydrophobicContact CB-CD2 4.38Å; R636-L638 HydrophobicContact CG-CD2 4.44Å
639	N	74.1	Confident	81.3	Confident	24 Å²	24	51.3 Å²	51.3	13%	0.128	26%	0.259	C	S	.	.			trans	-61.8	145.3	-179.9	-96.6	-17.3	0	0	0	112.2	L543 N568 N637 N643	L543-N639 HydrophobicContact CD2-CB 3.64Å; L543-N639 WeakPolarHBondContact CD2-O 3.1Å; N568-N639 HydrophobicContact CB-CB 4.25Å; N568-N639 VanDerWaalsContact CB-CG 3.5Å; N568-N639 VanDerWaalsContact CB-OD1 3.3Å; N568-N639 WeakPolarHBondContact CB-OD1 3.02Å; N568-N639 VanDerWaalsContact ND2-CG 3.3Å; N568-N639 PolarHBondContact ND2-ND2 3.19Å; N568-N639 VanDerWaalsContact ND2-ND2 3.15Å; N568-N639 PolarHBondContact ND2-OD1 2.78Å; N637-N639 WeakPolarHBondContact OD1-CB 2.9Å; N637-N639 PolarHBondContact OD1-N 2.92Å; N639-N643 PolarHBondContact ND2-O 3.38Å; N639-N643 VanDerWaalsContact ND2-O 3.1Å
640	I	63.9	Low	81.8	Confident	130 Å²	130	54.9 Å²	54.9	67%	0.667	28%	0.275	S	S	*	.			trans	-104.1	-10.6	172.3	-51.6	174.1	0	0	0	110.2
641	H	63.5	Low	82.2	Confident	143 Å²	143	52.9 Å²	52.9	66%	0.662	27%	0.265	S	S	*	.	S	Bend	trans	-119.5	147.6	-173.4	-58.8	-53.9	0	0	0	112.6	L543 N643	L543-H641 WeakPolarHBondContact CD2-O 3.49Å; H641-N643 PolarHBondContact O-N 2.63Å
642	E	56.7	Low	82.4	Confident	175 Å²	175	53.9 Å²	53.9	82%	0.818	27%	0.272	S	S	*	.	S	Bend	trans	-62	-10	-170.8	-69	-176.8	163.5	0	0	116.4	L543 L644	L543-E642 HydrophobicContact CD1-CG 4.42Å; E642-L644 VanDerWaalsContact C-N 3.3Å; E642-L644 PolarHBondContact O-N 2.95Å
643	N	56.9	Low	82.5	Confident	139 Å²	139	54.3 Å²	54.3	74%	0.743	27%	0.274	S	S	*	.			trans	-73	90.3	173	-86.6	-9.1	0	0	0	110	N639 H641 D645	N639-N643 PolarHBondContact ND2-O 3.38Å; N639-N643 VanDerWaalsContact ND2-O 3.1Å; H641-N643 PolarHBondContact O-N 2.63Å; N643-D645 PolarHBondContact O-N 3.22Å
644	L	63.8	Low	82.5	Confident	63 Å²	63	54.7 Å²	54.7	33%	0.33	28%	0.276	S	S	.	.			trans	-82.6	86.7	177.3	-66.8	168	0	0	0	109.6	V540 L541 L543 N637 E642	V540-L644 HydrophobicContact CG1-CB 3.69Å; V540-L644 HydrophobicContact CG1-CD1 3.51Å; V540-L644 HydrophobicContact CG1-CD2 4.45Å; V540-L644 HydrophobicContact CG1-CG 4.07Å; L541-L644 VanDerWaalsContact O-CD2 3.25Å; L541-L644 WeakPolarHBondContact O-CD2 3.02Å; L543-L644 HydrophobicContact CD2-CD2 4.23Å; L543-L644 HydrophobicContact CG-CD2 4.15Å; N637-L644 WeakPolarHBondContact ND2-CD2 3.32Å; E642-L644 VanDerWaalsContact C-N 3.3Å; E642-L644 PolarHBondContact O-N 2.95Å
645	D	74.6	Confident	82.5	Confident	87 Å²	87	55.6 Å²	55.6	47%	0.465	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-56.8	137.4	162.9	-65.8	-34.4	0	0	0	108.3	H569 N643	H569-D645 PolarHBondContact CE1-O 2.94Å; N643-D645 PolarHBondContact O-N 3.22Å
646	P	84.1	Confident	82.3	Confident	71 Å²	71	57.3 Å²	57.3	46%	0.461	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-69.6	137.3	178.9	26.8	-32.7	0	0	0	110.9	V540 N565 D648	V540-P646 HydrophobicContact CG2-CB 4.43Å; N565-P646 PolarHBondContact ND2-O 3.39Å; P646-D648 PolarHBondContact O-N 3.4Å
647	L	88.3	Confident	82.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.4	164.9	175.7	59.6	0	0	0	108.2	Q538 R539 L541 L550 K564 H569 A635 V649	Q538-L647 CarbonylContact C-O 3.58Å; Q538-L647 VanDerWaalsContact CA-O 3.23Å; Q538-L647 WeakPolarHBondContact CA-O 3.31Å; R539-L647 PolarHBondContact N-O 3.49Å; R539-L647 WeakPolarHBondContact O-CB 3.34Å; R539-L647 PolarHBondContact O-N 3.05Å; L541-L647 HydrophobicContact CD1-CD2 3.75Å; L541-L647 HydrophobicContact CG-CD2 4.42Å; L550-L647 HydrophobicContact CD1-CD2 3.72Å; L550-L647 HydrophobicContact CD2-CD2 4.37Å; K564-L647 HydrophobicContact CD-CD1 4.14Å; K564-L647 HydrophobicContact CG-CD1 3.83Å; H569-L647 HydrophobicContact CB-CD1 3.63Å; H569-L647 PolarHBondContact CE1-N 3.33Å; H569-L647 VanDerWaalsContact CE1-N 3.32Å; A635-L647 HydrophobicContact CB-CD2 3.6Å; L647-V649 HydrophobicContact CD1-CG2 3.5Å; L647-V649 VanDerWaalsContact CD1-CG2 3.5Å; L647-V649 HydrophobicContact CD2-CG2 4.06Å; L647-V649 HydrophobicContact CG-CG2 3.7Å
648	D	91.4	Very high	80.9	Confident	23 Å²	23	62.5 Å²	62.5	12%	0.123	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	110.5	174.6	-164.3	-7.8	0	0	0	109.4	R536 I537 Q538 K564 N565 P646	R536-D648 WeakPolarHBondContact CG-OD1 3.34Å; R536-D648 IonicContact CZ-OD1 3Å; R536-D648 IonicContact CZ-OD2 2.63Å; R536-D648 IonicContact NE-OD1 3.76Å; R536-D648 PolarHBondContact NE-OD1 3.47Å; R536-D648 IonicContact NE-OD2 3.13Å; R536-D648 PolarHBondContact NE-OD2 3.1Å; R536-D648 IonicContact NH2-OD1 2.62Å; R536-D648 IonicContact NH2-OD2 2.6Å; R536-D648 PolarHBondContact NH2-OD2 3.05Å; I537-D648 WeakPolarHBondContact O-CA 3.3Å; Q538-D648 HydrophobicContact CG-CB 4.27Å; Q538-D648 WeakPolarHBondContact CG-OD1 3.47Å; Q538-D648 PolarHBondContact NE2-OD2 3.12Å; K564-D648 WeakPolarHBondContact CA-O 3.39Å; N565-D648 HydrophobicContact CB-CB 4.13Å; N565-D648 PolarHBondContact N-O 2.77Å; N565-D648 PolarHBondContact OD1-N 3.18Å; N565-D648 PolarHBondContact OD1-O 3.18Å; N565-D648 VanDerWaalsContact OD1-O 3.13Å; P646-D648 PolarHBondContact O-N 3.4Å
649	V	93.8	Very high	79.2	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.7	-176.6	179.8	0	0	0	0	109.2	R536 I537 L550 I562 S563 K564 L571 L647 I651	R536-V649 CarbonylContact C-O 3.55Å; R536-V649 WeakPolarHBondContact CA-O 3.4Å; I537-V649 PolarHBondContact N-O 2.03Å; I537-V649 PolarHBondContact O-N 3.35Å; L550-V649 HydrophobicContact CD1-CG2 4.41Å; I562-V649 HydrophobicContact CG2-CG1 3.72Å; S563-V649 CarbonylContact O-C 3.55Å; S563-V649 WeakPolarHBondContact O-CA 3.15Å; K564-V649 HydrophobicContact CB-CG2 4.36Å; K564-V649 HydrophobicContact CG-CG2 3.99Å; L571-V649 HydrophobicContact CD2-CG2 4.07Å; L647-V649 HydrophobicContact CD1-CG2 3.5Å; L647-V649 VanDerWaalsContact CD1-CG2 3.5Å; L647-V649 HydrophobicContact CD2-CG2 4.06Å; L647-V649 HydrophobicContact CG-CG2 3.7Å; V649-I651 HydrophobicContact CG1-CD1 4.22Å; V649-I651 HydrophobicContact CG1-CG1 3.9Å
650	E	95.5	Very high	77.3	Confident	75 Å²	75	72.9 Å²	72.9	35%	0.35	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.8	172	-175.1	173.8	-161.7	0	0	109.8	Q534 H535 I562 S563	Q534-E650 PolarHBondContact NE2-OE1 2.94Å; H535-E650 WeakPolarHBondContact O-CA 3.28Å; I562-E650 CarbonylContact C-O 3.48Å; I562-E650 VanDerWaalsContact CA-O 3.28Å; I562-E650 WeakPolarHBondContact CA-O 3.03Å; S563-E650 PolarHBondContact N-O 2.89Å; S563-E650 PolarHBondContact O-N 3.39Å
651	I	96.5	Very high	76	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.7	-177.7	-59.8	161	0	0	0	107.5	Q534 H535 I537 Y551 I553 L560 K561 I562 I633 V649 Y653	Q534-I651 CarbonylContact C-O 3.56Å; Q534-I651 VanDerWaalsContact CA-O 3.31Å; Q534-I651 WeakPolarHBondContact CA-O 3.38Å; H535-I651 PolarHBondContact N-O 3.13Å; H535-I651 PolarHBondContact O-N 3.11Å; I537-I651 HydrophobicContact CD1-CD1 3.98Å; Y551-I651 HydrophobicContact CD1-CD1 4.17Å; Y551-I651 HydrophobicContact CD1-CG2 4.49Å; Y551-I651 HydrophobicContact CG-CD1 3.87Å; I553-I651 HydrophobicContact CD1-CG2 3.76Å; L560-I651 HydrophobicContact CD1-CG2 4.08Å; K561-I651 CarbonylContact O-C 3.49Å; K561-I651 WeakPolarHBondContact O-CA 3.02Å; I562-I651 HydrophobicContact CG1-CG1 4.5Å; I562-I651 HydrophobicContact CG2-CG1 4.28Å; I633-I651 HydrophobicContact CD1-CD1 3.62Å; I633-I651 HydrophobicContact CD1-CG1 3.93Å; I633-I651 HydrophobicContact CD1-CG2 4.29Å; V649-I651 HydrophobicContact CG1-CD1 4.22Å; V649-I651 HydrophobicContact CG1-CG1 3.9Å; I651-Y653 HydrophobicContact CG2-CD1 4.09Å; I651-Y653 HydrophobicContact CG2-CE1 4.33Å
652	S	97.1	Very high	76.6	Confident	22 Å²	22	73.1 Å²	73.1	15%	0.154	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.3	171.6	64.8	0	0	0	0	111.6	I533 L560 K561	I533-S652 CarbonylContact O-C 3.55Å; I533-S652 WeakPolarHBondContact O-CA 3.26Å; L560-S652 CarbonylContact C-O 3.48Å; L560-S652 WeakPolarHBondContact CA-O 3.18Å; K561-S652 PolarHBondContact N-O 3.17Å; K561-S652 PolarHBondContact O-N 2.76Å
653	Y	96.6	Very high	77.7	Confident	8 Å²	8	67.7 Å²	67.7	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	170.7	175.2	60.7	-83.3	0	0	0	110.6	I533 Y551 I553 P554 A557 L560 I651 L655	I533-Y653 HydrophobicContact CB-CD1 4.36Å; I533-Y653 HydrophobicContact CB-CD2 4.43Å; I533-Y653 HydrophobicContact CB-CE1 3.97Å; I533-Y653 HydrophobicContact CB-CE2 4.09Å; I533-Y653 HydrophobicContact CD1-CD2 4.44Å; I533-Y653 HydrophobicContact CD1-CE2 3.57Å; I533-Y653 HydrophobicContact CG1-CE2 4.31Å; I533-Y653 HydrophobicContact CG2-CD1 4.43Å; I533-Y653 HydrophobicContact CG2-CE1 3.68Å; I533-Y653 HydrophobicContact CG2-CE2 4.44Å; I533-Y653 PolarHBondContact N-O 3.42Å; I533-Y653 PolarHBondContact O-N 3.15Å; Y551-Y653 AromaticContact CE1-CE1 3.75Å; Y551-Y653 HydrophobicContact CE1-CE1 3.75Å; Y551-Y653 PolarHBondContact OH-OH 2.82Å; I553-Y653 HydrophobicContact CD1-CD1 3.82Å; I553-Y653 HydrophobicContact CD1-CE1 3.72Å; P554-Y653 HydrophobicContact CG-CE2 4.24Å; A557-Y653 HydrophobicContact CB-CD2 3.7Å; A557-Y653 HydrophobicContact CB-CE2 4.24Å; A557-Y653 HydrophobicContact CB-CG 4.35Å; L560-Y653 HydrophobicContact CD1-CD1 4.28Å; I651-Y653 HydrophobicContact CG2-CD1 4.09Å; I651-Y653 HydrophobicContact CG2-CE1 4.33Å; Y653-L655 HydrophobicContact CD2-CB 4.36Å; Y653-L655 HydrophobicContact CE2-CB 4.1Å; Y653-L655 HydrophobicContact CE2-CD1 4.5Å
654	V	95.6	Very high	78.8	Confident	9 Å²	9	63.7 Å²	63.7	6%	0.055	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.8	174.6	176.5	0	0	0	0	109	Q519 C530 T531 F532 A557 R558	Q519-V654 HydrophobicContact CB-CG2 4.38Å; C530-V654 HydrophobicContact CB-CG1 3.53Å; C530-V654 WeakPolarHBondContact SG-CG1 3Å; T531-V654 CarbonylContact O-C 3.57Å; T531-V654 WeakPolarHBondContact O-CA 3.3Å; F532-V654 HydrophobicContact CD2-CG2 4.09Å; A557-V654 WeakPolarHBondContact CA-O 3.38Å; R558-V654 PolarHBondContact N-O 2.9Å; R558-V654 PolarHBondContact O-N 3.1Å
655	L	93.5	Very high	79.7	Confident	39 Å²	39	63.8 Å²	63.8	20%	0.204	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.9	180	-168.6	65.7	0	0	0	110.9	C530 T531 I533 P554 A557 Y653	C530-L655 CarbonylContact C-O 3.51Å; C530-L655 VanDerWaalsContact CA-O 3.23Å; C530-L655 WeakPolarHBondContact CA-O 3.46Å; C530-L655 VanDerWaalsContact CB-O 3.29Å; C530-L655 WeakPolarHBondContact CB-O 3.33Å; T531-L655 PolarHBondContact N-O 2.74Å; T531-L655 PolarHBondContact O-N 3.36Å; T531-L655 PolarHBondContact OG1-O 2.93Å; I533-L655 HydrophobicContact CD1-CB 3.82Å; I533-L655 HydrophobicContact CD1-CD2 3.89Å; P554-L655 HydrophobicContact CB-CD1 4.43Å; P554-L655 HydrophobicContact CG-CD1 3.66Å; P554-L655 HydrophobicContact CG-CD2 3.92Å; P554-L655 HydrophobicContact CG-CG 4.45Å; A557-L655 HydrophobicContact CB-CD1 4.47Å; Y653-L655 HydrophobicContact CD2-CB 4.36Å; Y653-L655 HydrophobicContact CE2-CB 4.1Å; Y653-L655 HydrophobicContact CE2-CD1 4.5Å
656	P	87.1	Confident	80	Confident	36 Å²	36	62.3 Å²	62.3	23%	0.234	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	140.3	173.2	-24.9	35.5	0	0	0	112.5	Y556 S658	Y556-P656 WeakPolarHBondContact O-CD 3.27Å; P656-S658 PolarHBondContact O-N 3.25Å
657	L	82.8	Confident	79.7	Confident	95 Å²	95	61.7 Å²	61.7	50%	0.497	33%	0.332	S	S	.	.	S	Bend	trans	-77	81.4	178.2	-74.8	169.8	0	0	0	110.4	T529 T531	T529-L657 PolarHBondContact O-N 3.48Å; T531-L657 HydrophobicContact CG2-CD1 4.2Å; T531-L657 HydrophobicContact CG2-CD2 3.39Å; T531-L657 HydrophobicContact CG2-CG 3.9Å
658	S	61.7	Low	79.1	Confident	99 Å²	99	66.1 Å²	66.1	69%	0.692	36%	0.355	S	S	*	.	S	Bend	trans	50.1	111.1	165.5	62.6	0	0	0	0	119.9	P656 D660	P656-S658 PolarHBondContact O-N 3.25Å; S658-D660 PolarHBondContact O-N 2.98Å
659	N	46.4	Very low	78.2	Confident	156 Å²	156	69.5 Å²	69.5	83%	0.834	37%	0.373	S	S	*	.	S	Bend		63.9	19.1	127.7	-70.3	7.6	0	0	0	124.4
660	D	33.8	Very low	76.9	Confident	160 Å²	160	75.3 Å²	75.3	86%	0.856	40%	0.404	S	S	*	.			trans	-115.8	75.2	158.2	-83.1	-27	0	0	0	110.3	S658	S658-D660 PolarHBondContact O-N 2.98Å
661	H	35.9	Very low	75.2	Confident	204 Å²	204	75.3 Å²	75.3	94%	0.944	41%	0.409	S	S	*	.			trans	-135.8	0	169	-74.9	-27.8	0	0	0	110.8

Retrieved 661 of 661 residues in 224 ms (Link to these results)

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