A0A077ZDN5_TRITR Loading...

53 kDa excretory

AlphaFold DB , UniProt , Accession A0A077ZDN5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 516 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	43.1	Very low	40.4	Very low	239 Å²	239	152.7 Å²	152.7	100%	1.177	81%	0.807	S	S	*	*				0	106.8	0	-159.9	163.9	100.9	0	0	107
2	K	40	Very low	39.5	Very low	193 Å²	193	150 Å²	150	84%	0.839	80%	0.801	S	S	*	*			trans	52.6	99.6	167.4	-64.3	-179.3	175	-177	0	117.3
3	E	37.2	Very low	38.9	Very low	164 Å²	164	152.8 Å²	152.8	77%	0.766	81%	0.806	S	S	*	*				70.5	107.7	62.5	-160.4	176.1	-151.2	0	0	112.8
4	H	48.3	Very low	38	Very low	197 Å²	197	149.6 Å²	149.6	91%	0.912	80%	0.802	S	S	*	*				-156.1	127.4	129.3	-106.7	-48.4	0	0	0	111.5
5	D	39.1	Very low	37.7	Very low	134 Å²	134	152.1 Å²	152.1	72%	0.717	81%	0.807	S	S	*	*			trans	-99.9	-162.2	-169.9	-147.9	20.4	0	0	0	108.7
6	P	51.4	Low	37	Very low	105 Å²	105	150.6 Å²	150.6	68%	0.682	81%	0.805	S	S	*	*				-130.9	175.6	-78.5	34.3	-16.2	0	0	0	113.4
7	A	44.8	Very low	36.5	Very low	90 Å²	90	148.3 Å²	148.3	74%	0.744	80%	0.804	S	S	*	*			trans	-166.2	119.4	145.3	0	0	0	0	0	113.8
8	K	39.9	Very low	35.8	Very low	199 Å²	199	148.8 Å²	148.8	87%	0.865	81%	0.805	S	S	*	*				38.1	140.2	129.6	-66.3	-179.6	176.6	178.4	0	119
9	T	38.5	Very low	35.2	Very low	121 Å²	121	147.7 Å²	147.7	74%	0.742	81%	0.808	S	S	*	*			cis	-172.7	148.5	16.9	7.1	0	0	0	0	109.6
10	S	32.9	Very low	34.8	Very low	95 Å²	95	146.5 Å²	146.5	66%	0.664	81%	0.805	S	S	*	*			trans	-3.2	142.8	154.7	60.8	0	0	0	0	124.1
11	N	29.8	Very low	34.3	Very low	143 Å²	143	149.8 Å²	149.8	77%	0.765	81%	0.806	S	S	*	*			trans	91.3	115.1	131.3	-80.2	6.4	0	0	0	121.5
12	T	29.7	Very low	33.6	Very low	120 Å²	120	144.6 Å²	144.6	74%	0.736	79%	0.791	S	S	*	*			trans	38.5	114.2	136	47.1	0	0	0	0	118.4
13	E	30.7	Very low	33	Very low	187 Å²	187	142.2 Å²	142.2	87%	0.874	78%	0.783	S	S	*	*				-172	152.6	124.9	-106	169.9	-172.1	0	0	113.2
14	S	27.1	Very low	32.6	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	78%	0.783	S	S	*	*			trans	-60.3	139.9	-172.5	53.4	0	0	0	0	115.9
15	H	33.2	Very low	31.6	Very low	187 Å²	187	140.7 Å²	140.7	87%	0.866	78%	0.776	S	S	*	*			trans	-94.8	96.9	164.7	-88.4	-103.5	0	0	0	111.7
16	T	27.1	Very low	31.1	Very low	128 Å²	128	139.2 Å²	139.2	79%	0.785	78%	0.776	S	S	*	*			trans	17	116.6	131.1	19.8	0	0	0	0	119.2
17	S	27.7	Very low	29.9	Very low	112 Å²	112	142 Å²	142	78%	0.783	79%	0.785	S	S	*	*			trans	-145.3	108.6	151.5	165.6	0	0	0	0	109.2
18	L	23.5	Very low	29	Very low	157 Å²	157	143.8 Å²	143.8	82%	0.822	79%	0.79	S	S	*	*			trans	-0.7	110.5	174.7	-82.7	82.3	0	0	0	118.3
19	C	24.5	Very low	28.4	Very low	129 Å²	129	139.3 Å²	139.3	87%	0.872	78%	0.782	S	S	*	*			trans	-113.4	108.5	150.5	-106	0	0	0	0	107.9	R21	C19-R21 PolarHBondContact O-N 3.21Å
20	V	27.7	Very low	27.9	Very low	122 Å²	122	139.4 Å²	139.4	74%	0.739	79%	0.787	S	S	*	*			trans	-74.5	106	172.7	175	0	0	0	0	108.1
21	R	24.9	Very low	27.7	Very low	217 Å²	217	141.2 Å²	141.2	82%	0.819	79%	0.788	S	S	*	*			trans	-83.7	102.7	172.6	-159.1	-179.5	-163.4	170	4.9	107.5	C19	C19-R21 PolarHBondContact O-N 3.21Å
22	C	27.5	Very low	27.6	Very low	130 Å²	130	140.5 Å²	140.5	88%	0.878	78%	0.784	S	S	*	*			trans	-99.2	91	163	-83.7	0	0	0	0	108.1
23	Q	26.9	Very low	27.8	Very low	142 Å²	142	140.5 Å²	140.5	66%	0.664	78%	0.779	S	S	*	*			trans	-118.5	133.6	164.1	-141.9	173.5	-8.7	0	0	106.5
24	E	28.8	Very low	27.7	Very low	165 Å²	165	138 Å²	138	77%	0.771	77%	0.772	S	S	*	*			trans	94.3	134.8	163.4	-52.7	-174.4	149.5	0	0	119.9
25	H	28.5	Very low	27.9	Very low	164 Å²	164	141.2 Å²	141.2	76%	0.759	78%	0.775	S	S	*	*			trans	88.7	97.2	162.2	-64.5	-75.4	0	0	0	119.8
26	S	27.3	Very low	27.5	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	78%	0.777	S	S	*	*				106.8	123.9	121	75	0	0	0	0	118.1
27	L	26.4	Very low	27.5	Very low	165 Å²	165	139.1 Å²	139.1	86%	0.864	76%	0.761	S	S	*	*			trans	77	66.9	156.5	-57.2	159.8	0	0	0	117.9
28	C	26.3	Very low	27.5	Very low	127 Å²	127	141.8 Å²	141.8	86%	0.858	76%	0.761	S	S	*	*			trans	-94.1	117.3	148.2	-87.1	0	0	0	0	108.7	S30	C28-S30 PolarHBondContact O-N 3.24Å
29	P	27.4	Very low	27.8	Very low	105 Å²	105	137.4 Å²	137.4	68%	0.682	74%	0.741	S	S	*	*			trans	-66.5	125.1	169.3	27.4	-29.2	0	0	0	108.1	I31	P29-I31 VanDerWaalsContact C-N 3.33Å; P29-I31 PolarHBondContact O-N 3.27Å
30	S	27.5	Very low	27.8	Very low	123 Å²	123	138.4 Å²	138.4	86%	0.86	74%	0.736	S	S	*	*			trans	-61.5	94.6	165	48.8	0	0	0	0	108.7	C28 D32	C28-S30 PolarHBondContact O-N 3.24Å; S30-D32 PolarHBondContact O-N 2.97Å
31	I	29.5	Very low	28	Very low	132 Å²	132	138.2 Å²	138.2	68%	0.677	73%	0.725	S	S	*	*			trans	-77.2	107.9	169.4	-62.4	176	0	0	0	106.7	P29 L33	P29-I31 VanDerWaalsContact C-N 3.33Å; P29-I31 PolarHBondContact O-N 3.27Å; I31-L33 HydrophobicContact CG2-CG 4.28Å; I31-L33 PolarHBondContact O-N 3.14Å; I31-L33 VanDerWaalsContact O-N 3.08Å
32	D	27.9	Very low	28.1	Very low	128 Å²	128	132.8 Å²	132.8	68%	0.684	72%	0.718	S	S	*	*			trans	-68.1	95.9	172	-162.5	-10.6	0	0	0	108.8	S30 N34	S30-D32 PolarHBondContact O-N 2.97Å; D32-N34 PolarHBondContact O-N 3.49Å; D32-N34 PolarHBondContact OD1-ND2 3.41Å
33	L	33.8	Very low	28.1	Very low	120 Å²	120	136.3 Å²	136.3	63%	0.628	72%	0.719	S	S	*	*			trans	-80.1	41.9	-174.2	-97.4	149.9	0	0	0	112.9	I31	I31-L33 HydrophobicContact CG2-CG 4.28Å; I31-L33 PolarHBondContact O-N 3.14Å; I31-L33 VanDerWaalsContact O-N 3.08Å
34	N	28.5	Very low	28.2	Very low	135 Å²	135	134.3 Å²	134.3	72%	0.722	73%	0.727	S	S	*	*			trans	-98.9	27.2	177.6	-89.7	-38.1	0	0	0	113.8	D32	D32-N34 PolarHBondContact O-N 3.49Å; D32-N34 PolarHBondContact OD1-ND2 3.41Å
35	Q	30.6	Very low	28.2	Very low	175 Å²	175	131.4 Å²	131.4	82%	0.818	72%	0.724	S	S	*	*	S	Bend	trans	-108.9	130.5	177.8	-82.1	-178.6	-18	0	0	112.6	V37	Q35-V37 PolarHBondContact O-N 3.01Å
36	E	25.8	Very low	28.2	Very low	193 Å²	193	131.6 Å²	131.6	90%	0.902	73%	0.731	S	S	*	*			trans	-53.8	116.6	172.8	-69.9	175.2	144.1	0	0	110.8
37	V	27.5	Very low	28.4	Very low	77 Å²	77	137.7 Å²	137.7	47%	0.467	74%	0.738	S	S	.	*			trans	-121.9	107	172.4	-176.7	0	0	0	0	109.3	Q35 V39	Q35-V37 PolarHBondContact O-N 3.01Å; V37-V39 HydrophobicContact CG1-CG2 4.44Å; V37-V39 PolarHBondContact O-N 3.37Å; V37-V39 VanDerWaalsContact O-N 3.17Å
38	H	26.4	Very low	28.4	Very low	169 Å²	169	138.3 Å²	138.3	78%	0.782	74%	0.737	S	S	*	*			trans	-69.2	102.3	162.4	-84.9	-66.5	0	0	0	109	I40	H38-I40 PolarHBondContact O-N 2.81Å; H38-I40 VanDerWaalsContact O-N 3.15Å
39	V	30	Very low	28.4	Very low	64 Å²	64	138.1 Å²	138.1	39%	0.388	73%	0.734	S	S	.	*			trans	-72.2	103.8	169.5	-177.8	0	0	0	0	108.2	V37 F41	V37-V39 HydrophobicContact CG1-CG2 4.44Å; V37-V39 PolarHBondContact O-N 3.37Å; V37-V39 VanDerWaalsContact O-N 3.17Å; V39-F41 HydrophobicContact CG1-CD2 4.02Å; V39-F41 HydrophobicContact CG1-CE1 4.46Å; V39-F41 HydrophobicContact CG1-CE2 3.68Å; V39-F41 HydrophobicContact CG1-CZ 3.92Å
40	I	25.1	Very low	28.5	Very low	151 Å²	151	142 Å²	142	77%	0.774	74%	0.743	S	S	*	*			trans	-92.5	99.4	170.9	-58.1	175.5	0	0	0	106.8	H38	H38-I40 PolarHBondContact O-N 2.81Å; H38-I40 VanDerWaalsContact O-N 3.15Å
41	F	31.1	Very low	28.4	Very low	117 Å²	117	145.6 Å²	145.6	51%	0.513	74%	0.743	S	S	.	*	P	Polyproline II helix	trans	-66.4	130.6	163.8	-70.6	-78.7	0	0	0	108.5	V39 K43 Y240	V39-F41 HydrophobicContact CG1-CD2 4.02Å; V39-F41 HydrophobicContact CG1-CE1 4.46Å; V39-F41 HydrophobicContact CG1-CE2 3.68Å; V39-F41 HydrophobicContact CG1-CZ 3.92Å; F41-K43 PolarHBondContact O-N 2.98Å; F41-Y240 HydrophobicContact CZ-CD1 4.45Å
42	P	27.1	Very low	28.3	Very low	104 Å²	104	147.5 Å²	147.5	68%	0.675	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-60.5	127.4	174.2	22.9	-29.5	0	0	0	109.1	A44	P42-A44 PolarHBondContact O-N 2.95Å
43	K	26.8	Very low	28.2	Very low	203 Å²	203	150.4 Å²	150.4	88%	0.883	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-51.8	127	163.2	-84.1	-178.6	174.1	179.9	0	107.4	F41 S45	F41-K43 PolarHBondContact O-N 2.98Å; K43-S45 PolarHBondContact O-N 3.49Å
44	A	30.4	Very low	27.7	Very low	101 Å²	101	152.3 Å²	152.3	84%	0.835	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-48.4	116.3	174.1	0	0	0	0	0	109.3	P42	P42-A44 PolarHBondContact O-N 2.95Å
45	S	29.4	Very low	27.6	Very low	103 Å²	103	153.7 Å²	153.7	72%	0.72	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-54	134.8	172	168.9	0	0	0	0	109.3	K43 R47	K43-S45 PolarHBondContact O-N 3.49Å; S45-R47 PolarHBondContact O-N 2.66Å
46	N	26.8	Very low	27.3	Very low	168 Å²	168	150.1 Å²	150.1	90%	0.898	75%	0.75	S	S	*	*			trans	-31.8	96.3	171.6	-71.7	-25.2	0	0	0	111.8
47	R	31.4	Very low	27.4	Very low	232 Å²	232	149 Å²	149	88%	0.875	74%	0.744	S	S	*	*			trans	-110	130.2	162.3	-80.6	-174.9	178.8	171.6	1.4	106.4	S45	S45-R47 PolarHBondContact O-N 2.66Å
48	E	26.9	Very low	27.5	Very low	177 Å²	177	151.5 Å²	151.5	83%	0.827	76%	0.755	S	S	*	*			trans	-46.6	138.6	176.3	-73.3	-179.4	144.1	0	0	110.1	H50	E48-H50 PolarHBondContact O-N 2.7Å
49	P	25.9	Very low	27.7	Very low	123 Å²	123	151.5 Å²	151.5	80%	0.799	76%	0.755	S	S	*	*			trans	-63.9	102	176.6	26.3	-30.9	0	0	0	108	K51	P49-K51 VanDerWaalsContact C-N 3.29Å; P49-K51 PolarHBondContact O-N 3.06Å
50	H	30.3	Very low	27.8	Very low	188 Å²	188	152.2 Å²	152.2	87%	0.87	76%	0.762	S	S	*	*			trans	-59.9	103.8	156.5	-100	-69.2	0	0	0	105.9	E48 E52	E48-H50 PolarHBondContact O-N 2.7Å; H50-E52 PolarHBondContact O-N 3.05Å
51	K	26.1	Very low	28.3	Very low	198 Å²	198	148.3 Å²	148.3	86%	0.861	74%	0.737	S	S	*	*			trans	-16.2	96.8	176.5	-96	176.6	171.8	173.8	0	111.8	P49 R53	P49-K51 VanDerWaalsContact C-N 3.29Å; P49-K51 PolarHBondContact O-N 3.06Å; K51-R53 VanDerWaalsContact C-N 3.31Å; K51-R53 PolarHBondContact O-N 3.28Å
52	E	27.3	Very low	28.6	Very low	171 Å²	171	144.8 Å²	144.8	80%	0.799	73%	0.727	S	S	*	*			trans	-61.3	100.3	166.6	-150	175.6	-169.7	0	0	105.7	H50 I54	H50-E52 PolarHBondContact O-N 3.05Å; E52-I54 VanDerWaalsContact C-N 3.3Å; E52-I54 PolarHBondContact O-N 3.13Å
53	R	24.3	Very low	29.1	Very low	190 Å²	190	144.9 Å²	144.9	72%	0.717	73%	0.728	S	S	*	*			trans	-74.1	97.2	175.7	-151.3	-172.8	-90.5	-169.6	-4.6	104.6	K51 Y55	K51-R53 VanDerWaalsContact C-N 3.31Å; K51-R53 PolarHBondContact O-N 3.28Å; R53-Y55 VanDerWaalsContact C-N 3.31Å; R53-Y55 HydrophobicContact CB-CD2 4.13Å; R53-Y55 HydrophobicContact CB-CE2 3.83Å; R53-Y55 VanDerWaalsContact CD-CE2 3.46Å; R53-Y55 VanDerWaalsContact CD-OH 3.31Å; R53-Y55 WeakPolarHBondContact CD-OH 3.23Å; R53-Y55 HydrophobicContact CG-CD2 4.42Å; R53-Y55 HydrophobicContact CG-CE2 3.92Å; R53-Y55 PolarHBondContact NH1-OH 2.83Å; R53-Y55 VanDerWaalsContact O-CD2 3.26Å; R53-Y55 WeakPolarHBondContact O-CD2 3.48Å; R53-Y55 PolarHBondContact O-N 2.82Å
54	I	23.7	Very low	29.6	Very low	159 Å²	159	142.5 Å²	142.5	82%	0.815	72%	0.72	S	S	*	*			trans	-54.8	97	172.7	-61	170.8	0	0	0	107	E52	E52-I54 VanDerWaalsContact C-N 3.3Å; E52-I54 PolarHBondContact O-N 3.13Å
55	Y	25.6	Very low	30.1	Very low	165 Å²	165	141.1 Å²	141.1	65%	0.647	70%	0.698	S	S	*	*			trans	-85.9	120.3	172.3	-86.3	-80.2	0	0	0	108.4	R53 Q57	R53-Y55 VanDerWaalsContact C-N 3.31Å; R53-Y55 HydrophobicContact CB-CD2 4.13Å; R53-Y55 HydrophobicContact CB-CE2 3.83Å; R53-Y55 VanDerWaalsContact CD-CE2 3.46Å; R53-Y55 VanDerWaalsContact CD-OH 3.31Å; R53-Y55 WeakPolarHBondContact CD-OH 3.23Å; R53-Y55 HydrophobicContact CG-CD2 4.42Å; R53-Y55 HydrophobicContact CG-CE2 3.92Å; R53-Y55 PolarHBondContact NH1-OH 2.83Å; R53-Y55 VanDerWaalsContact O-CD2 3.26Å; R53-Y55 WeakPolarHBondContact O-CD2 3.48Å; R53-Y55 PolarHBondContact O-N 2.82Å; Y55-Q57 PolarHBondContact O-N 3.44Å
56	S	25.5	Very low	30.7	Very low	99 Å²	99	138.4 Å²	138.4	69%	0.692	67%	0.674	S	S	*	*			trans	-53.4	126.7	178.4	-178.6	0	0	0	0	111	N58	S56-N58 PolarHBondContact O-N 3.32Å
57	Q	28.4	Very low	31.5	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	66%	0.663	S	S	*	*	S	Bend	trans	-67.9	19.5	-178.4	-71.1	-173.3	-22.7	0	0	115.1	Y55	Y55-Q57 PolarHBondContact O-N 3.44Å
58	N	29.4	Very low	31.9	Very low	129 Å²	129	128.2 Å²	128.2	69%	0.69	63%	0.633	S	S	*	*			trans	-146.4	59.1	-170.1	-74.9	-41.2	0	0	0	113.4	S56	S56-N58 PolarHBondContact O-N 3.32Å
59	Q	30.6	Very low	32.6	Very low	169 Å²	169	123.2 Å²	123.2	79%	0.79	61%	0.614	S	S	*	*			trans	-107.6	111.3	162.7	-114.3	179	-18.9	0	0	110.2
60	P	30.9	Very low	33.5	Very low	80 Å²	80	123.6 Å²	123.6	52%	0.519	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-61.3	141.8	174.6	-14.7	27	0	0	0	110	S62	P60-S62 PolarHBondContact O-N 3.46Å
61	R	36.3	Very low	34.1	Very low	68 Å²	68	116.2 Å²	116.2	26%	0.257	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-61.5	124.2	166.4	-74.2	-179.7	179.1	-147.6	9.7	108.8	Y455	R61-Y455 PolarHBondContact NH1-OH 3.14Å; R61-Y455 PolarHBondContact NH2-OH 3.26Å
62	S	36.4	Very low	34.8	Very low	43 Å²	43	107.6 Å²	107.6	30%	0.301	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-66.6	143.1	167.4	72.1	0	0	0	0	108.5	P60 E64 N65	P60-S62 PolarHBondContact O-N 3.46Å; S62-E64 PolarHBondContact O-N 2.77Å; S62-E64 VanDerWaalsContact O-N 3.09Å; S62-N65 PolarHBondContact O-N 3.18Å
63	P	38.7	Very low	35.6	Very low	107 Å²	107	102.5 Å²	102.5	70%	0.695	51%	0.513	S	S	*	.	H	α-helix	trans	-50.7	-30.6	172.6	-26.6	33.3	0	0	0	113.1	N65 E66 E67	P63-N65 VanDerWaalsContact C-N 3.28Å; P63-N65 PolarHBondContact O-N 2.83Å; P63-E66 PolarHBondContact O-N 2.78Å; P63-E67 PolarHBondContact O-N 3.37Å; P63-E67 VanDerWaalsContact O-N 3.13Å
64	E	37.4	Very low	36.7	Very low	152 Å²	152	97.6 Å²	97.6	71%	0.71	50%	0.504	S	S	*	.	H	α-helix	trans	-58.5	-36	176	-60.9	175.9	152.5	0	0	112.6	S62 L68	S62-E64 PolarHBondContact O-N 2.77Å; S62-E64 VanDerWaalsContact O-N 3.09Å; E64-L68 WeakPolarHBondContact O-CB 3.47Å; E64-L68 PolarHBondContact O-N 2.97Å
65	N	40.8	Very low	37.7	Very low	72 Å²	72	94.1 Å²	94.1	39%	0.385	49%	0.487	S	S	.	.	H	α-helix	trans	-73.3	-29.8	-179.8	-77.7	-14.9	0	0	0	112.9	S62 P63 T69	S62-N65 PolarHBondContact O-N 3.18Å; P63-N65 VanDerWaalsContact C-N 3.28Å; P63-N65 PolarHBondContact O-N 2.83Å; N65-T69 WeakPolarHBondContact O-CB 3.42Å; N65-T69 PolarHBondContact O-N 3.35Å; N65-T69 PolarHBondContact O-OG1 3.46Å
66	E	41.4	Very low	38.6	Very low	46 Å²	46	86.3 Å²	86.3	22%	0.215	46%	0.457	C	S	.	.	H	α-helix	trans	-76.9	-39.7	175.9	-72.4	-169.7	171.1	0	0	111.9	P63 L68 T69 R70	P63-E66 PolarHBondContact O-N 2.78Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-T69 PolarHBondContact O-N 2.72Å; E66-R70 WeakPolarHBondContact O-CB 3.31Å; E66-R70 PolarHBondContact O-N 2.92Å
67	E	43.6	Very low	39.5	Very low	141 Å²	141	82.2 Å²	82.2	66%	0.659	43%	0.43	S	S	*	.	H	α-helix	trans	-65.5	-40.4	173	-169.9	141.5	-152.8	0	0	111.2	P63 R70 S71	P63-E67 PolarHBondContact O-N 3.37Å; P63-E67 VanDerWaalsContact O-N 3.13Å; E67-R70 PolarHBondContact O-N 3.36Å; E67-S71 WeakPolarHBondContact O-CB 3.31Å; E67-S71 PolarHBondContact O-N 3.13Å
68	L	39.8	Very low	40.3	Very low	46 Å²	46	78.7 Å²	78.7	24%	0.241	42%	0.417	C	S	.	.	H	α-helix	trans	-58.9	-50.2	170.2	-173.9	67.2	0	0	0	110.9	E64 E66 R70 S71 L72 V430	E64-L68 WeakPolarHBondContact O-CB 3.47Å; E64-L68 PolarHBondContact O-N 2.97Å; E66-L68 VanDerWaalsContact C-N 3.34Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 2.66Å; L68-S71 WeakPolarHBondContact O-CB 3.42Å; L68-S71 PolarHBondContact O-N 3.32Å; L68-L72 HydrophobicContact CG-CD1 4.26Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 WeakPolarHBondContact O-CG 3.44Å; L68-L72 PolarHBondContact O-N 3.17Å; L68-V430 HydrophobicContact CD1-CG2 3.69Å; L68-V430 HydrophobicContact CD2-CG2 4.07Å; L68-V430 HydrophobicContact CG-CG2 4.06Å
69	T	41.5	Very low	40.9	Very low	72 Å²	72	73.2 Å²	73.2	44%	0.442	39%	0.387	S	S	.	.	H	α-helix	trans	-59.3	-40.9	178.7	-55.4	0	0	0	0	111.7	N65 E66 L72 T73	N65-T69 WeakPolarHBondContact O-CB 3.42Å; N65-T69 PolarHBondContact O-N 3.35Å; N65-T69 PolarHBondContact O-OG1 3.46Å; E66-T69 PolarHBondContact O-N 2.72Å; T69-L72 WeakPolarHBondContact O-CB 3.15Å; T69-L72 PolarHBondContact O-N 3.39Å; T69-T73 PolarHBondContact O-N 2.99Å; T69-T73 PolarHBondContact O-OG1 3.45Å
70	R	45.8	Very low	41.6	Very low	130 Å²	130	67.4 Å²	67.4	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-68.5	-43.9	177.8	-166.2	179	-71.3	118	-0.6	111.5	E66 E67 L68 L72 T73 T74	E66-R70 WeakPolarHBondContact O-CB 3.31Å; E66-R70 PolarHBondContact O-N 2.92Å; E67-R70 PolarHBondContact O-N 3.36Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 2.66Å; R70-L72 VanDerWaalsContact C-N 3.26Å; R70-L72 PolarHBondContact O-N 3.32Å; R70-T73 PolarHBondContact O-N 3.31Å; R70-T74 WeakPolarHBondContact O-CB 3.42Å; R70-T74 PolarHBondContact O-N 3.1Å; R70-T74 PolarHBondContact O-OG1 3.35Å
71	S	43.3	Very low	41.8	Very low	33 Å²	33	66.5 Å²	66.5	23%	0.231	36%	0.355	C	S	.	.	H	α-helix	trans	-57.2	-40.5	170.6	166.4	0	0	0	0	110.9	E67 L68 T73 T74 D75 F76	E67-S71 WeakPolarHBondContact O-CB 3.31Å; E67-S71 PolarHBondContact O-N 3.13Å; L68-S71 WeakPolarHBondContact O-CB 3.42Å; L68-S71 PolarHBondContact O-N 3.32Å; S71-T73 PolarHBondContact O-N 3.25Å; S71-T74 PolarHBondContact O-N 2.77Å; S71-D75 WeakPolarHBondContact CA-OD2 3.43Å; S71-D75 WeakPolarHBondContact CB-OD2 3.39Å; S71-D75 WeakPolarHBondContact O-CA 3.4Å; S71-D75 WeakPolarHBondContact O-CB 3.08Å; S71-D75 PolarHBondContact O-N 2.87Å; S71-D75 PolarHBondContact OG-OD2 3.33Å; S71-F76 PolarHBondContact O-N 3.16Å
72	L	39.9	Very low	41.7	Very low	18 Å²	18	70.1 Å²	70.1	9%	0.094	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-45.4	175.2	-69.7	173.8	0	0	0	113.5	L68 T69 R70 T74 F76 G77 I80 V430	L68-L72 HydrophobicContact CG-CD1 4.26Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 WeakPolarHBondContact O-CG 3.44Å; L68-L72 PolarHBondContact O-N 3.17Å; T69-L72 WeakPolarHBondContact O-CB 3.15Å; T69-L72 PolarHBondContact O-N 3.39Å; R70-L72 VanDerWaalsContact C-N 3.26Å; R70-L72 PolarHBondContact O-N 3.32Å; L72-T74 VanDerWaalsContact C-N 3.28Å; L72-T74 PolarHBondContact O-N 2.76Å; L72-F76 HydrophobicContact CD2-CB 4.21Å; L72-F76 HydrophobicContact CD2-CD2 3.55Å; L72-F76 HydrophobicContact CD2-CE2 3.95Å; L72-F76 HydrophobicContact CD2-CG 4.02Å; L72-F76 CarbonylContact O-C 3.57Å; L72-F76 VanDerWaalsContact O-CA 3.24Å; L72-F76 WeakPolarHBondContact O-CA 3.4Å; L72-F76 WeakPolarHBondContact O-CB 3.3Å; L72-F76 PolarHBondContact O-N 3.4Å; L72-F76 VanDerWaalsContact O-N 3.17Å; L72-G77 PolarHBondContact O-N 3.01Å; L72-I80 HydrophobicContact CD2-CD1 4.1Å; L72-V430 HydrophobicContact CD1-CB 4.32Å; L72-V430 HydrophobicContact CD1-CG1 3.49Å; L72-V430 VanDerWaalsContact CD1-CG1 3.49Å; L72-V430 HydrophobicContact CD1-CG2 3.93Å; L72-V430 HydrophobicContact CD2-CB 3.97Å; L72-V430 HydrophobicContact CD2-CG1 3.43Å; L72-V430 VanDerWaalsContact CD2-CG1 3.43Å; L72-V430 HydrophobicContact CD2-CG2 3.57Å; L72-V430 HydrophobicContact CG-CG1 4.06Å; L72-V430 HydrophobicContact CG-CG2 4.09Å
73	T	44.4	Very low	41.7	Very low	64 Å²	64	73 Å²	73	39%	0.393	39%	0.385	S	S	.	.	H	α-helix	trans	-73.5	-23.6	-180	-37.3	0	0	0	0	112.8	T69 R70 S71 R82	T69-T73 PolarHBondContact O-N 2.99Å; T69-T73 PolarHBondContact O-OG1 3.45Å; R70-T73 PolarHBondContact O-N 3.31Å; S71-T73 PolarHBondContact O-N 3.25Å; T73-R82 HydrophobicContact CG2-CG 3.94Å; T73-R82 PolarHBondContact O-NE 2.99Å; T73-R82 PolarHBondContact O-NH2 3.04Å
74	T	47.8	Very low	41.5	Very low	87 Å²	87	75.4 Å²	75.4	53%	0.534	39%	0.387	S	S	.	.	H	α-helix	trans	-98.9	-49.1	-173.2	-35.4	0	0	0	0	112.1	R70 S71 L72	R70-T74 WeakPolarHBondContact O-CB 3.42Å; R70-T74 PolarHBondContact O-N 3.1Å; R70-T74 PolarHBondContact O-OG1 3.35Å; S71-T74 PolarHBondContact O-N 2.77Å; L72-T74 VanDerWaalsContact C-N 3.28Å; L72-T74 PolarHBondContact O-N 2.76Å
75	D	43.9	Very low	41.5	Very low	85 Å²	85	72.6 Å²	72.6	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-90.9	-25.4	-176.3	-49.2	-33.7	0	0	0	112.2	S71	S71-D75 WeakPolarHBondContact CA-OD2 3.43Å; S71-D75 WeakPolarHBondContact CB-OD2 3.39Å; S71-D75 WeakPolarHBondContact O-CA 3.4Å; S71-D75 WeakPolarHBondContact O-CB 3.08Å; S71-D75 PolarHBondContact O-N 2.87Å; S71-D75 PolarHBondContact OG-OD2 3.33Å
76	F	46	Very low	41.2	Very low	2 Å²	2	74.7 Å²	74.7	1%	0.009	38%	0.384	C	S	.	.	S	Bend	trans	-117.7	17.6	-179.5	-57.9	-83.8	0	0	0	113.2	S71 L72 D78 I79 I80 Y419 T423 A426 V427	S71-F76 PolarHBondContact O-N 3.16Å; L72-F76 HydrophobicContact CD2-CB 4.21Å; L72-F76 HydrophobicContact CD2-CD2 3.55Å; L72-F76 HydrophobicContact CD2-CE2 3.95Å; L72-F76 HydrophobicContact CD2-CG 4.02Å; L72-F76 CarbonylContact O-C 3.57Å; L72-F76 VanDerWaalsContact O-CA 3.24Å; L72-F76 WeakPolarHBondContact O-CA 3.4Å; L72-F76 WeakPolarHBondContact O-CB 3.3Å; L72-F76 PolarHBondContact O-N 3.4Å; L72-F76 VanDerWaalsContact O-N 3.17Å; F76-D78 PolarHBondContact O-N 3.47Å; F76-I79 HydrophobicContact CB-CB 4.22Å; F76-I79 HydrophobicContact CB-CG1 4.47Å; F76-I79 HydrophobicContact CD1-CB 4.26Å; F76-I79 HydrophobicContact CD1-CD1 3.65Å; F76-I79 HydrophobicContact CD1-CG1 3.95Å; F76-I79 HydrophobicContact CE1-CD1 4.15Å; F76-I79 CarbonylContact O-C 3.41Å; F76-I79 WeakPolarHBondContact O-CA 3.28Å; F76-I79 PolarHBondContact O-N 3.37Å; F76-I80 PolarHBondContact O-N 2.8Å; F76-Y419 HydrophobicContact CD1-CE1 4.27Å; F76-Y419 HydrophobicContact CE1-CD1 4.49Å; F76-Y419 HydrophobicContact CE1-CE1 4.29Å; F76-T423 HydrophobicContact CD1-CG2 4.36Å; F76-T423 HydrophobicContact CE1-CG2 3.3Å; F76-T423 HydrophobicContact CE2-CG2 3.84Å; F76-T423 HydrophobicContact CZ-CG2 3.07Å; F76-T423 VanDerWaalsContact CZ-O 3.31Å; F76-T423 WeakPolarHBondContact CZ-O 3.32Å; F76-A426 HydrophobicContact CZ-CB 4.36Å; F76-V427 HydrophobicContact CD1-CG2 3.88Å; F76-V427 HydrophobicContact CE1-CB 4.47Å; F76-V427 HydrophobicContact CE1-CG2 3.07Å; F76-V427 HydrophobicContact CZ-CG2 3.59Å
77	G	43.3	Very low	40.7	Very low	13 Å²	13	77 Å²	77	13%	0.134	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.3	174.2	0	0	0	0	0	113.1	L72 I80 P81	L72-G77 PolarHBondContact O-N 3.01Å; G77-I80 CarbonylContact C-O 3.58Å; G77-I80 WeakPolarHBondContact CA-O 3.39Å; G77-I80 CarbonylContact O-C 3.55Å; G77-I80 VanDerWaalsContact O-O 3.07Å; G77-P81 WeakPolarHBondContact O-CA 3.31Å
78	D	44.4	Very low	40.5	Very low	95 Å²	95	73 Å²	73	51%	0.508	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-19	176.7	-51.7	-16.6	0	0	0	113.4	F76 K417	F76-D78 PolarHBondContact O-N 3.47Å; D78-K417 IonicContact OD2-NZ 2.7Å; D78-K417 PolarHBondContact OD2-NZ 3.48Å
79	I	42.7	Very low	40.4	Very low	15 Å²	15	79.1 Å²	79.1	8%	0.077	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-22.4	175	-46.9	-158.3	0	0	0	111.4	F76 I302 V304 P316 Y419 V427	F76-I79 HydrophobicContact CB-CB 4.22Å; F76-I79 HydrophobicContact CB-CG1 4.47Å; F76-I79 HydrophobicContact CD1-CB 4.26Å; F76-I79 HydrophobicContact CD1-CD1 3.65Å; F76-I79 HydrophobicContact CD1-CG1 3.95Å; F76-I79 HydrophobicContact CE1-CD1 4.15Å; F76-I79 CarbonylContact O-C 3.41Å; F76-I79 WeakPolarHBondContact O-CA 3.28Å; F76-I79 PolarHBondContact O-N 3.37Å; I79-I302 HydrophobicContact CD1-CD1 4.12Å; I79-I302 HydrophobicContact CD1-CG2 3.76Å; I79-V304 HydrophobicContact CD1-CG1 3.93Å; I79-V304 HydrophobicContact CG1-CG1 3.79Å; I79-P316 WeakPolarHBondContact O-CB 3.29Å; I79-Y419 HydrophobicContact CD1-CD2 4.47Å; I79-Y419 HydrophobicContact CD1-CE1 4.24Å; I79-Y419 HydrophobicContact CD1-CE2 3.7Å; I79-Y419 HydrophobicContact CG1-CE2 4.37Å; I79-Y419 WeakPolarHBondContact CG1-OH 3.41Å; I79-V427 HydrophobicContact CD1-CG2 4.43Å
80	I	44.5	Very low	40.6	Very low	47 Å²	47	83.6 Å²	83.6	24%	0.241	44%	0.444	C	S	.	.	S	Bend	trans	-137	88.8	178.7	-53.7	-177.6	0	0	0	104.7	L72 F76 G77 R82 P316 V430	L72-I80 HydrophobicContact CD2-CD1 4.1Å; F76-I80 PolarHBondContact O-N 2.8Å; G77-I80 CarbonylContact C-O 3.58Å; G77-I80 WeakPolarHBondContact CA-O 3.39Å; G77-I80 CarbonylContact O-C 3.55Å; G77-I80 VanDerWaalsContact O-O 3.07Å; I80-R82 PolarHBondContact O-N 2.99Å; I80-P316 HydrophobicContact CG2-CG 4.32Å; I80-V430 HydrophobicContact CD1-CG1 4.14Å
81	P	35.9	Very low	40.5	Very low	60 Å²	60	86.2 Å²	86.2	39%	0.39	46%	0.462	S	S	.	.			trans	-53.1	135.6	-177.3	23	-30	0	0	0	106.7	G77 V83 P316	G77-P81 WeakPolarHBondContact O-CA 3.31Å; P81-V83 PolarHBondContact O-N 3.22Å; P81-P316 HydrophobicContact CG-CB 4.12Å; P81-P316 HydrophobicContact CG-CG 4.43Å
82	R	34.6	Very low	40.9	Very low	145 Å²	145	91.4 Å²	91.4	55%	0.547	48%	0.481	S	S	.	.			trans	-53.4	139.8	166.5	-66	-177.8	178.9	174.3	4.1	106.5	T73 I80 E84	T73-R82 HydrophobicContact CG2-CG 3.94Å; T73-R82 PolarHBondContact O-NE 2.99Å; T73-R82 PolarHBondContact O-NH2 3.04Å; I80-R82 PolarHBondContact O-N 2.99Å; R82-E84 PolarHBondContact O-N 3.06Å
83	V	36.1	Very low	41.8	Very low	104 Å²	104	95.3 Å²	95.3	63%	0.63	51%	0.505	S	S	*	.			trans	-59	94.9	161.6	178.9	0	0	0	0	104.9	P81 H85	P81-V83 PolarHBondContact O-N 3.22Å; V83-H85 VanDerWaalsContact C-N 3.26Å; V83-H85 PolarHBondContact O-N 3.16Å
84	E	35.4	Very low	43	Very low	157 Å²	157	100.7 Å²	100.7	73%	0.734	53%	0.526	S	S	*	.			trans	-69.8	95.7	171.3	-83.5	-175.2	169.1	0	0	105.6	R82 L86	R82-E84 PolarHBondContact O-N 3.06Å; E84-L86 PolarHBondContact O-N 3.27Å
85	H	36.8	Very low	44.9	Very low	92 Å²	92	97.9 Å²	97.9	43%	0.426	51%	0.506	S	S	.	.			trans	-63	91.2	150.8	-61.7	-80.3	0	0	0	104.8	V83 A87 E213	V83-H85 VanDerWaalsContact C-N 3.26Å; V83-H85 PolarHBondContact O-N 3.16Å; H85-A87 PolarHBondContact O-N 3.46Å; H85-E213 IonicContact CE1-OE1 3Å; H85-E213 PolarHBondContact CE1-OE1 2.94Å; H85-E213 IonicContact CE1-OE2 3.3Å; H85-E213 IonicContact ND1-OE1 2.72Å; H85-E213 PolarHBondContact ND1-OE1 3.41Å
86	L	34.4	Very low	47.1	Very low	117 Å²	117	99.2 Å²	99.2	61%	0.613	51%	0.509	S	S	*	.			trans	-53.7	101.8	163.5	-94.6	156.1	0	0	0	104.7	E84 S88	E84-L86 PolarHBondContact O-N 3.27Å; L86-S88 PolarHBondContact O-N 2.63Å
87	A	30.9	Very low	49.2	Very low	93 Å²	93	105.1 Å²	105.1	77%	0.769	54%	0.535	S	S	*	.			trans	-63.3	80.1	169.6	0	0	0	0	0	106.2	H85 N89	H85-A87 PolarHBondContact O-N 3.46Å; A87-N89 PolarHBondContact O-N 2.75Å; A87-N89 VanDerWaalsContact O-N 3.08Å
88	S	39.7	Very low	51.6	Low	59 Å²	59	110.8 Å²	110.8	41%	0.413	56%	0.558	S	S	.	*			trans	-71.9	108.2	175.6	-165.1	0	0	0	0	105.2	L86 K90	L86-S88 PolarHBondContact O-N 2.63Å; S88-K90 PolarHBondContact O-N 3.09Å; S88-K90 WeakPolarHBondContact OG-CG 3.37Å
89	N	36.3	Very low	54	Low	174 Å²	174	110.8 Å²	110.8	93%	0.93	55%	0.553	S	S	*	*			trans	-64.4	48.2	163.1	-92.3	-19	0	0	0	110.6	A87 Q91	A87-N89 PolarHBondContact O-N 2.75Å; A87-N89 VanDerWaalsContact O-N 3.08Å; N89-Q91 PolarHBondContact O-N 2.85Å
90	K	46.4	Very low	56.4	Low	165 Å²	165	112.5 Å²	112.5	72%	0.717	56%	0.559	S	S	*	*			trans	-84.5	114	165.7	-80.1	180	-177.2	-174.9	0	106.4	S88 K92	S88-K90 PolarHBondContact O-N 3.09Å; S88-K90 WeakPolarHBondContact OG-CG 3.37Å; K90-K92 PolarHBondContact O-N 2.02Å
91	Q	43	Very low	58.8	Low	185 Å²	185	111.9 Å²	111.9	86%	0.864	56%	0.556	S	S	*	*			trans	-40.3	101.8	172.9	-160.8	170.3	22.5	0	0	108.8	N89 V93	N89-Q91 PolarHBondContact O-N 2.85Å; Q91-V93 PolarHBondContact O-N 2.84Å
92	K	53.1	Low	61.7	Low	142 Å²	142	113.8 Å²	113.8	62%	0.617	56%	0.559	S	S	*	*			trans	-55	108.9	173.5	-84	-176.2	174.9	-177.7	0	105.7	K90 E94	K90-K92 PolarHBondContact O-N 2.02Å; K92-E94 PolarHBondContact O-N 3.06Å
93	V	58.7	Low	64.6	Low	100 Å²	100	106.9 Å²	106.9	61%	0.606	53%	0.533	S	S	*	.			trans	-64.2	109.2	172.4	178	0	0	0	0	105.5	Q91 W95	Q91-V93 PolarHBondContact O-N 2.84Å; V93-W95 PolarHBondContact O-N 2.76Å
94	E	69.9	Low	67.5	Low	178 Å²	178	101.9 Å²	101.9	83%	0.832	50%	0.503	S	S	*	.			trans	-66.8	103.4	-177	-170.2	173.2	-173.1	0	0	109	K92 Q96	K92-E94 PolarHBondContact O-N 3.06Å; E94-Q96 PolarHBondContact O-N 2.93Å
95	W	86.6	Confident	70.4	Confident	28 Å²	28	99.7 Å²	99.7	11%	0.106	49%	0.491	C	S	.	.			trans	-85.2	103.9	174.7	-169.6	8.7	0	0	0	109	V93 K97 R100 A103 K132 A141 L143 L178	V93-W95 PolarHBondContact O-N 2.76Å; W95-K97 PolarHBondContact O-N 3.18Å; W95-R100 HydrophobicContact CD2-CB 3.83Å; W95-R100 HydrophobicContact CD2-CG 3.93Å; W95-R100 HydrophobicContact CE3-CB 4.26Å; W95-R100 HydrophobicContact CE3-CG 3.82Å; W95-R100 HydrophobicContact CG-CB 4.11Å; W95-R100 HydrophobicContact CH2-CG 4.29Å; W95-R100 HydrophobicContact CZ2-CB 4.33Å; W95-R100 HydrophobicContact CZ2-CG 4.38Å; W95-R100 HydrophobicContact CZ3-CG 4.01Å; W95-A103 HydrophobicContact CH2-CB 4.01Å; W95-A103 HydrophobicContact CZ2-CB 3.54Å; W95-K132 HydrophobicContact CD2-CG 4.26Å; W95-K132 HydrophobicContact CE3-CG 4.3Å; W95-K132 HydrophobicContact CG-CG 4.46Å; W95-A141 HydrophobicContact CH2-CB 3.87Å; W95-A141 HydrophobicContact CZ3-CB 3.99Å; W95-L143 HydrophobicContact CH2-CD1 4.25Å; W95-L143 HydrophobicContact CH2-CD2 3.52Å; W95-L143 HydrophobicContact CH2-CG 3.99Å; W95-L143 HydrophobicContact CZ3-CD2 3.52Å; W95-L143 HydrophobicContact CZ3-CG 4.16Å; W95-L178 HydrophobicContact CH2-CD1 3.8Å; W95-L178 HydrophobicContact CZ2-CD1 3.79Å
96	Q	90.9	Very high	73.2	Confident	113 Å²	113	97.5 Å²	97.5	53%	0.528	48%	0.483	S	S	.	.			trans	-47.9	133.6	-179.5	-70.7	-173.4	-22	0	0	111.8	E94 E98 K99 R100	E94-Q96 PolarHBondContact O-N 2.93Å; Q96-E98 VanDerWaalsContact C-N 3.28Å; Q96-E98 PolarHBondContact O-N 2.78Å; Q96-K99 HydrophobicContact CB-CD 4.43Å; Q96-K99 HydrophobicContact CB-CG 4.44Å; Q96-K99 PolarHBondContact O-N 3.37Å; Q96-K99 VanDerWaalsContact O-N 3.16Å; Q96-R100 WeakPolarHBondContact O-CB 2.83Å; Q96-R100 PolarHBondContact O-N 3.42Å
97	K	90.5	Very high	76.1	Confident	125 Å²	125	92 Å²	92	54%	0.543	45%	0.454	S	S	.	.	H	α-helix	trans	-55	-43.6	-172.6	-178.2	-177.4	175.6	-171.9	0	111.9	W95 R100 D101	W95-K97 PolarHBondContact O-N 3.18Å; K97-R100 PolarHBondContact O-N 3.22Å; K97-D101 WeakPolarHBondContact O-CB 3.3Å; K97-D101 VanDerWaalsContact O-CG 3.28Å; K97-D101 PolarHBondContact O-N 3.12Å
98	E	92.4	Very high	79.1	Confident	132 Å²	132	87.9 Å²	87.9	62%	0.617	42%	0.419	S	S	*	.	H	α-helix	trans	-62	-47.3	-178.1	-63.9	67.6	-146.1	0	0	111	Q96 R100 D101 E102	Q96-E98 VanDerWaalsContact C-N 3.28Å; Q96-E98 PolarHBondContact O-N 2.78Å; E98-R100 VanDerWaalsContact C-N 3.35Å; E98-D101 PolarHBondContact O-N 2.95Å; E98-E102 WeakPolarHBondContact O-CB 3.36Å; E98-E102 PolarHBondContact O-N 3.25Å
99	K	94.6	Very high	81.6	Confident	95 Å²	95	92.2 Å²	92.2	41%	0.413	43%	0.427	S	S	.	.	H	α-helix	trans	-65.2	-39	177.4	-68.1	-176.8	172.3	-169.4	0	112	Q96 E102 A103 E181	Q96-K99 HydrophobicContact CB-CD 4.43Å; Q96-K99 HydrophobicContact CB-CG 4.44Å; Q96-K99 PolarHBondContact O-N 3.37Å; Q96-K99 VanDerWaalsContact O-N 3.16Å; K99-E102 PolarHBondContact O-N 3.13Å; K99-A103 WeakPolarHBondContact O-CB 3.16Å; K99-A103 PolarHBondContact O-N 2.93Å; K99-E181 HydrophobicContact CB-CG 3.94Å; K99-E181 WeakPolarHBondContact CD-OE1 3.34Å; K99-E181 HydrophobicContact CG-CG 4.39Å; K99-E181 WeakPolarHBondContact O-CG 3.32Å
100	R	94.5	Very high	84.2	Confident	51 Å²	51	84.6 Å²	84.6	19%	0.192	39%	0.388	C	S	.	.	H	α-helix	trans	-65.6	-43.8	176.9	-174.7	-174.7	66.2	-167	2.3	111.7	W95 Q96 K97 E98 A103 A104 V127 L143	W95-R100 HydrophobicContact CD2-CB 3.83Å; W95-R100 HydrophobicContact CD2-CG 3.93Å; W95-R100 HydrophobicContact CE3-CB 4.26Å; W95-R100 HydrophobicContact CE3-CG 3.82Å; W95-R100 HydrophobicContact CG-CB 4.11Å; W95-R100 HydrophobicContact CH2-CG 4.29Å; W95-R100 HydrophobicContact CZ2-CB 4.33Å; W95-R100 HydrophobicContact CZ2-CG 4.38Å; W95-R100 HydrophobicContact CZ3-CG 4.01Å; Q96-R100 WeakPolarHBondContact O-CB 2.83Å; Q96-R100 PolarHBondContact O-N 3.42Å; K97-R100 PolarHBondContact O-N 3.22Å; E98-R100 VanDerWaalsContact C-N 3.35Å; R100-A103 PolarHBondContact O-N 2.69Å; R100-A104 PolarHBondContact O-N 2.76Å; R100-V127 HydrophobicContact CG-CG1 4.14Å; R100-L143 HydrophobicContact CG-CD2 3.92Å
101	D	94.8	Very high	86.3	Confident	35 Å²	35	76.9 Å²	76.9	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-67.3	-38.6	177.8	-72.6	4	0	0	0	111.2	K97 E98 A104 K105 V127	K97-D101 WeakPolarHBondContact O-CB 3.3Å; K97-D101 VanDerWaalsContact O-CG 3.28Å; K97-D101 PolarHBondContact O-N 3.12Å; E98-D101 PolarHBondContact O-N 2.95Å; D101-A104 PolarHBondContact O-N 2.76Å; D101-K105 WeakPolarHBondContact O-CG 3.02Å; D101-K105 PolarHBondContact O-N 3.02Å; D101-V127 HydrophobicContact CB-CG2 4.45Å; D101-V127 WeakPolarHBondContact OD1-CB 3.15Å; D101-V127 VanDerWaalsContact OD1-CG2 3.25Å; D101-V127 WeakPolarHBondContact OD1-CG2 3.32Å
102	E	96.2	Very high	88.6	Confident	99 Å²	99	69.7 Å²	69.7	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-47.4	171.4	-175.5	177.1	174.6	0	0	111.6	E98 K99 A104 K105 N106 E181	E98-E102 WeakPolarHBondContact O-CB 3.36Å; E98-E102 PolarHBondContact O-N 3.25Å; K99-E102 PolarHBondContact O-N 3.13Å; E102-A104 VanDerWaalsContact C-N 3.35Å; E102-A104 PolarHBondContact O-N 3.39Å; E102-K105 PolarHBondContact O-N 3.21Å; E102-N106 PolarHBondContact O-N 2.89Å; E102-N106 PolarHBondContact O-ND2 3.35Å; E102-E181 HydrophobicContact CB-CB 4.39Å; E102-E181 HydrophobicContact CB-CG 4.49Å; E102-E181 HydrophobicContact CG-CB 4.07Å
103	A	96.5	Very high	90.2	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-43.9	177.4	0	0	0	0	0	112.5	W95 K99 R100 K105 N106 V107 L143 L178 E181	W95-A103 HydrophobicContact CH2-CB 4.01Å; W95-A103 HydrophobicContact CZ2-CB 3.54Å; K99-A103 WeakPolarHBondContact O-CB 3.16Å; K99-A103 PolarHBondContact O-N 2.93Å; R100-A103 PolarHBondContact O-N 2.69Å; A103-K105 PolarHBondContact O-N 3.21Å; A103-N106 PolarHBondContact O-N 3.17Å; A103-V107 WeakPolarHBondContact O-CG2 3.31Å; A103-V107 PolarHBondContact O-N 3.17Å; A103-L143 HydrophobicContact CB-CD1 4.43Å; A103-L178 HydrophobicContact CB-CD1 3.92Å; A103-E181 WeakPolarHBondContact CA-O 3.25Å; A103-E181 HydrophobicContact CB-CB 4.22Å
104	A	96.3	Very high	91.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-39.1	177.1	0	0	0	0	0	112.9	R100 D101 E102 V107 L108 F124 V127 L143 M145	R100-A104 PolarHBondContact O-N 2.76Å; D101-A104 PolarHBondContact O-N 2.76Å; E102-A104 VanDerWaalsContact C-N 3.35Å; E102-A104 PolarHBondContact O-N 3.39Å; A104-V107 PolarHBondContact O-N 3.05Å; A104-L108 WeakPolarHBondContact O-CB 3.27Å; A104-L108 PolarHBondContact O-N 2.97Å; A104-F124 HydrophobicContact CB-CE2 3.95Å; A104-F124 HydrophobicContact CB-CZ 4.38Å; A104-V127 HydrophobicContact CB-CG2 3.26Å; A104-L143 HydrophobicContact CB-CD1 4.27Å; A104-L143 HydrophobicContact CB-CD2 4.45Å; A104-M145 HydrophobicContact CB-CE 3.98Å; A104-M145 HydrophobicContact CB-SD 4.26Å
105	K	96.1	Very high	92.1	Very high	111 Å²	111	65.9 Å²	65.9	48%	0.483	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-41.5	173.6	-72.4	170.5	-175.4	173.3	0	111.8	D101 E102 A103 L108 Y109 F124	D101-K105 WeakPolarHBondContact O-CG 3.02Å; D101-K105 PolarHBondContact O-N 3.02Å; E102-K105 PolarHBondContact O-N 3.21Å; A103-K105 PolarHBondContact O-N 3.21Å; K105-L108 PolarHBondContact O-N 3.32Å; K105-Y109 WeakPolarHBondContact O-CB 3.27Å; K105-Y109 PolarHBondContact O-N 3.09Å; K105-F124 HydrophobicContact CG-CD1 4.05Å; K105-F124 HydrophobicContact CG-CD2 4.09Å; K105-F124 HydrophobicContact CG-CE1 4.15Å; K105-F124 HydrophobicContact CG-CE2 4.21Å; K105-F124 HydrophobicContact CG-CG 4Å; K105-F124 HydrophobicContact CG-CZ 4.22Å
106	N	95.2	Very high	92	Very high	46 Å²	46	65.3 Å²	65.3	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-37.5	176.8	-71.9	-32.1	0	0	0	112.4	E102 A103 S110 E181	E102-N106 PolarHBondContact O-N 2.89Å; E102-N106 PolarHBondContact O-ND2 3.35Å; A103-N106 PolarHBondContact O-N 3.17Å; N106-S110 PolarHBondContact O-N 2.88Å; N106-S110 PolarHBondContact O-OG 2.91Å; N106-S110 VanDerWaalsContact O-OG 3.09Å; N106-E181 WeakPolarHBondContact CB-O 3.31Å; N106-E181 PolarHBondContact ND2-O 2.94Å
107	V	95.1	Very high	91.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-47.6	172.2	167.3	0	0	0	0	110.7	A103 A104 Y109 S110 F111 L143 M145 W174 L178 H183	A103-V107 WeakPolarHBondContact O-CG2 3.31Å; A103-V107 PolarHBondContact O-N 3.17Å; A104-V107 PolarHBondContact O-N 3.05Å; V107-Y109 VanDerWaalsContact C-N 3.31Å; V107-Y109 PolarHBondContact O-N 3.28Å; V107-S110 WeakPolarHBondContact O-CA 3.48Å; V107-S110 VanDerWaalsContact O-CB 3.29Å; V107-S110 WeakPolarHBondContact O-CB 3.46Å; V107-S110 PolarHBondContact O-N 3.07Å; V107-F111 HydrophobicContact CG1-CE1 4.06Å; V107-F111 HydrophobicContact CG1-CE2 3.91Å; V107-F111 HydrophobicContact CG1-CZ 3.66Å; V107-F111 PolarHBondContact O-N 3.5Å; V107-L143 HydrophobicContact CB-CD1 4.5Å; V107-L143 HydrophobicContact CG2-CD1 4Å; V107-M145 HydrophobicContact CB-CE 4.25Å; V107-M145 HydrophobicContact CG1-CE 3.9Å; V107-W174 HydrophobicContact CG1-CB 3.88Å; V107-W174 HydrophobicContact CG1-CD2 3.9Å; V107-W174 HydrophobicContact CG1-CG 3.5Å; V107-W174 HydrophobicContact CG2-CD2 3.91Å; V107-W174 HydrophobicContact CG2-CE3 4.11Å; V107-W174 HydrophobicContact CG2-CG 4.41Å; V107-W174 HydrophobicContact CG2-CH2 4.37Å; V107-W174 HydrophobicContact CG2-CZ2 4.2Å; V107-W174 HydrophobicContact CG2-CZ3 4.33Å; V107-L178 HydrophobicContact CG2-CD2 4.29Å; V107-H183 HydrophobicContact CG2-CB 4.49Å
108	L	94.5	Very high	90.5	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-43.1	176.1	178.5	61.8	0	0	0	111.4	A104 K105 S110 F111 L112 F124 M145 I147	A104-L108 WeakPolarHBondContact O-CB 3.27Å; A104-L108 PolarHBondContact O-N 2.97Å; K105-L108 PolarHBondContact O-N 3.32Å; L108-S110 PolarHBondContact O-N 3.44Å; L108-F111 HydrophobicContact CD1-CB 4.48Å; L108-F111 HydrophobicContact CD1-CD2 4.35Å; L108-F111 WeakPolarHBondContact O-CA 3.39Å; L108-F111 WeakPolarHBondContact O-CB 3.36Å; L108-F111 PolarHBondContact O-N 3.31Å; L108-L112 HydrophobicContact CD1-CD2 4.34Å; L108-L112 HydrophobicContact CD1-CG 4.18Å; L108-L112 HydrophobicContact CG-CD1 4.1Å; L108-L112 HydrophobicContact CG-CG 4.18Å; L108-L112 VanDerWaalsContact O-CG 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.2Å; L108-L112 PolarHBondContact O-N 3.23Å; L108-F124 HydrophobicContact CD2-CB 3.71Å; L108-F124 HydrophobicContact CD2-CD2 3.99Å; L108-F124 HydrophobicContact CD2-CG 4.36Å; L108-M145 HydrophobicContact CB-SD 4.19Å; L108-I147 HydrophobicContact CD1-CD1 4.07Å; L108-I147 HydrophobicContact CD1-CG2 4Å; L108-I147 HydrophobicContact CD2-CG2 3.89Å
109	Y	92.8	Very high	89.8	Confident	151 Å²	151	59.9 Å²	59.9	59%	0.592	28%	0.279	S	S	*	.	H	α-helix	trans	-55.4	-38.2	175.1	179.4	-98.2	0	0	0	112	K105 V107 L112 K113	K105-Y109 WeakPolarHBondContact O-CB 3.27Å; K105-Y109 PolarHBondContact O-N 3.09Å; V107-Y109 VanDerWaalsContact C-N 3.31Å; V107-Y109 PolarHBondContact O-N 3.28Å; Y109-L112 PolarHBondContact O-N 2.91Å; Y109-K113 HydrophobicContact CE1-CD 4.25Å; Y109-K113 VanDerWaalsContact O-CB 3.31Å; Y109-K113 WeakPolarHBondContact O-CB 3.34Å; Y109-K113 PolarHBondContact O-N 3.46Å
110	S	90.5	Very high	89.2	Confident	14 Å²	14	60.8 Å²	60.8	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-39.9	175.1	-53.7	0	0	0	0	112	N106 V107 L108 K113 F114	N106-S110 PolarHBondContact O-N 2.88Å; N106-S110 PolarHBondContact O-OG 2.91Å; N106-S110 VanDerWaalsContact O-OG 3.09Å; V107-S110 WeakPolarHBondContact O-CA 3.48Å; V107-S110 VanDerWaalsContact O-CB 3.29Å; V107-S110 WeakPolarHBondContact O-CB 3.46Å; V107-S110 PolarHBondContact O-N 3.07Å; L108-S110 PolarHBondContact O-N 3.44Å; S110-K113 PolarHBondContact O-N 3.44Å; S110-F114 WeakPolarHBondContact O-CD2 3.27Å; S110-F114 PolarHBondContact O-N 2.88Å
111	F	90.7	Very high	88.7	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.009	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-47.8	172.1	-63	-18.1	0	0	0	112.4	V107 L108 K113 Y115 F116 C172 W174 M186 A189 L239	V107-F111 HydrophobicContact CG1-CE1 4.06Å; V107-F111 HydrophobicContact CG1-CE2 3.91Å; V107-F111 HydrophobicContact CG1-CZ 3.66Å; V107-F111 PolarHBondContact O-N 3.5Å; L108-F111 HydrophobicContact CD1-CB 4.48Å; L108-F111 HydrophobicContact CD1-CD2 4.35Å; L108-F111 WeakPolarHBondContact O-CA 3.39Å; L108-F111 WeakPolarHBondContact O-CB 3.36Å; L108-F111 PolarHBondContact O-N 3.31Å; F111-K113 VanDerWaalsContact C-N 3.3Å; F111-K113 PolarHBondContact O-N 2.9Å; F111-Y115 HydrophobicContact CD1-CD2 4.28Å; F111-Y115 WeakPolarHBondContact O-CA 2.94Å; F111-Y115 WeakPolarHBondContact O-CB 3.23Å; F111-Y115 PolarHBondContact O-N 3.1Å; F111-F116 HydrophobicContact CB-CD1 4.38Å; F111-F116 HydrophobicContact CB-CE1 4.03Å; F111-F116 HydrophobicContact CB-CZ 4.18Å; F111-F116 PolarHBondContact O-N 3.13Å; F111-C172 HydrophobicContact CE2-CB 4.32Å; F111-W174 AromaticContact CE1-CD1 3.71Å; F111-W174 HydrophobicContact CZ-CB 3.95Å; F111-W174 AromaticContact CZ-CD1 3.56Å; F111-W174 HydrophobicContact CZ-CG 4.07Å; F111-M186 HydrophobicContact CE1-SD 3.84Å; F111-A189 HydrophobicContact CE1-CB 3.56Å; F111-A189 HydrophobicContact CE2-CB 4.48Å; F111-A189 HydrophobicContact CZ-CB 3.44Å; F111-A189 VanDerWaalsContact CZ-CB 3.44Å; F111-L239 HydrophobicContact CD1-CD2 3.95Å; F111-L239 HydrophobicContact CE1-CD2 4.01Å; F111-L239 HydrophobicContact CG-CD2 4.29Å; F111-L239 HydrophobicContact CZ-CD2 4.37Å
112	L	90	Very high	88.4	Confident	34 Å²	34	59.1 Å²	59.1	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-39.5	179.4	-64.8	177.8	0	0	0	111.9	L108 Y109 F116 A119 Y122	L108-L112 HydrophobicContact CD1-CD2 4.34Å; L108-L112 HydrophobicContact CD1-CG 4.18Å; L108-L112 HydrophobicContact CG-CD1 4.1Å; L108-L112 HydrophobicContact CG-CG 4.18Å; L108-L112 VanDerWaalsContact O-CG 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.2Å; L108-L112 PolarHBondContact O-N 3.23Å; Y109-L112 PolarHBondContact O-N 2.91Å; L112-F116 HydrophobicContact CD2-CD2 3.69Å; L112-F116 HydrophobicContact CD2-CE2 4.27Å; L112-F116 HydrophobicContact CD2-CG 4.48Å; L112-A119 HydrophobicContact CB-CB 3.84Å; L112-A119 HydrophobicContact CD2-CB 4.29Å; L112-Y122 HydrophobicContact CD2-CD2 4.23Å; L112-Y122 HydrophobicContact CD2-CG 4.25Å
113	K	87.6	Confident	88.2	Confident	128 Å²	128	55.5 Å²	55.5	56%	0.557	27%	0.273	S	S	*	.	H	α-helix	trans	-73.1	-41.4	-178.1	-175.6	174.6	175.4	-176.5	0	113	Y109 S110 F111	Y109-K113 HydrophobicContact CE1-CD 4.25Å; Y109-K113 VanDerWaalsContact O-CB 3.31Å; Y109-K113 WeakPolarHBondContact O-CB 3.34Å; Y109-K113 PolarHBondContact O-N 3.46Å; S110-K113 PolarHBondContact O-N 3.44Å; F111-K113 VanDerWaalsContact C-N 3.3Å; F111-K113 PolarHBondContact O-N 2.9Å
114	F	84.4	Confident	88	Confident	116 Å²	116	58 Å²	58	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-114	-22.1	-165.9	-62.6	-65.1	0	0	0	115.1	S110	S110-F114 WeakPolarHBondContact O-CD2 3.27Å; S110-F114 PolarHBondContact O-N 2.88Å
115	Y	83	Confident	87.9	Confident	97 Å²	97	60.6 Å²	60.6	38%	0.38	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-33	-168.9	-62.4	-85.2	0	0	0	113.2	F111 M186 L239	F111-Y115 HydrophobicContact CD1-CD2 4.28Å; F111-Y115 WeakPolarHBondContact O-CA 2.94Å; F111-Y115 WeakPolarHBondContact O-CB 3.23Å; F111-Y115 PolarHBondContact O-N 3.1Å; Y115-M186 HydrophobicContact CE1-CE 3.96Å; Y115-M186 HydrophobicContact CE2-CE 4.07Å; Y115-M186 VanDerWaalsContact CZ-CE 3.46Å; Y115-M186 WeakPolarHBondContact OH-CE 3.43Å; Y115-L239 HydrophobicContact CD1-CD1 3.75Å; Y115-L239 HydrophobicContact CG-CD1 4.15Å; Y115-L239 HydrophobicContact CG-CD2 4.29Å
116	F	85.8	Confident	87.7	Confident	15 Å²	15	59.5 Å²	59.5	7%	0.066	29%	0.293	C	S	.	.			trans	-92.1	124.4	-175.9	-69.3	12.7	0	0	0	110.4	F111 L112 R118 Y122 I147 C191 I238 L239	F111-F116 HydrophobicContact CB-CD1 4.38Å; F111-F116 HydrophobicContact CB-CE1 4.03Å; F111-F116 HydrophobicContact CB-CZ 4.18Å; F111-F116 PolarHBondContact O-N 3.13Å; L112-F116 HydrophobicContact CD2-CD2 3.69Å; L112-F116 HydrophobicContact CD2-CE2 4.27Å; L112-F116 HydrophobicContact CD2-CG 4.48Å; F116-R118 PolarHBondContact O-N 2.71Å; F116-Y122 HydrophobicContact CB-CE2 4.32Å; F116-Y122 HydrophobicContact CD2-CD1 4.08Å; F116-Y122 AromaticContact CD2-CD2 3.52Å; F116-Y122 HydrophobicContact CD2-CD2 3.52Å; F116-Y122 HydrophobicContact CD2-CE1 4.16Å; F116-Y122 AromaticContact CD2-CE2 3.61Å; F116-Y122 HydrophobicContact CD2-CE2 3.61Å; F116-Y122 AromaticContact CD2-CG 3.76Å; F116-Y122 HydrophobicContact CD2-CG 3.76Å; F116-Y122 AromaticContact CD2-CZ 3.94Å; F116-Y122 AromaticContact CE2-CD1 3.86Å; F116-Y122 HydrophobicContact CE2-CD1 3.86Å; F116-Y122 HydrophobicContact CE2-CD2 4.16Å; F116-Y122 HydrophobicContact CE2-CE1 4.02Å; F116-Y122 HydrophobicContact CE2-CE2 4.3Å; F116-Y122 AromaticContact CE2-CG 3.93Å; F116-Y122 HydrophobicContact CE2-CG 3.93Å; F116-Y122 HydrophobicContact CG-CD2 4.48Å; F116-Y122 HydrophobicContact CG-CE2 4.29Å; F116-I147 HydrophobicContact CE2-CD1 3.85Å; F116-I147 HydrophobicContact CZ-CD1 4.27Å; F116-C191 HydrophobicContact CZ-CB 4.2Å; F116-I238 HydrophobicContact CD1-CG2 3.87Å; F116-I238 HydrophobicContact CD2-CG2 4.31Å; F116-I238 HydrophobicContact CE1-CG2 3.52Å; F116-I238 HydrophobicContact CE2-CG2 3.98Å; F116-I238 HydrophobicContact CG-CG2 4.28Å; F116-I238 HydrophobicContact CZ-CG2 3.57Å; F116-L239 HydrophobicContact CE1-CB 4.05Å; F116-L239 HydrophobicContact CE1-CD2 4.37Å
117	T	74.1	Confident	87.7	Confident	135 Å²	135	57.9 Å²	57.9	83%	0.828	29%	0.285	S	S	*	.	S	Bend	trans	-67	-9.2	-177.6	54	0	0	0	0	114.5
118	R	75.7	Confident	87.5	Confident	85 Å²	85	58.4 Å²	58.4	32%	0.321	29%	0.288	S	S	.	.			trans	-150.3	81.1	179.4	-68.5	-167.4	166	172.4	-6.8	111.5	F116 D121 Y122 C153 S160 C162	F116-R118 PolarHBondContact O-N 2.71Å; R118-D121 HydrophobicContact CB-CB 4.41Å; R118-D121 WeakPolarHBondContact CB-OD2 3.45Å; R118-D121 VanDerWaalsContact CD-OD2 3.31Å; R118-D121 WeakPolarHBondContact CD-OD2 3.43Å; R118-D121 PolarHBondContact O-N 2.94Å; R118-Y122 VanDerWaalsContact O-CD2 3.27Å; R118-Y122 WeakPolarHBondContact O-CD2 3.31Å; R118-Y122 WeakPolarHBondContact O-CE2 3.34Å; R118-C153 PolarHBondContact NH1-SG 2.72Å; R118-S160 PolarHBondContact NH1-OG 3.01Å; R118-S160 PolarHBondContact NH2-OG 3.34Å; R118-C162 PolarHBondContact NH1-SG 3.17Å
119	A	78.4	Confident	87.3	Confident	36 Å²	36	58.4 Å²	58.4	30%	0.298	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-51	-42.4	179	0	0	0	0	0	115.2	L112 D121 Y122	L112-A119 HydrophobicContact CB-CB 3.84Å; L112-A119 HydrophobicContact CD2-CB 4.29Å; A119-D121 PolarHBondContact O-N 2.89Å; A119-D121 VanDerWaalsContact O-N 3.14Å; A119-Y122 PolarHBondContact O-N 3.33Å
120	P	80.7	Confident	87.3	Confident	115 Å²	115	51.8 Å²	51.8	75%	0.747	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-63.6	-21.2	-176.1	-24	35.9	0	0	0	114.8	Y122	P120-Y122 PolarHBondContact O-N 2.66Å
121	D	84	Confident	87.4	Confident	19 Å²	19	52 Å²	52	10%	0.102	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-71.7	-13.4	-176.8	-58	-0.1	0	0	0	111.9	R118 A119 K149 R150	R118-D121 HydrophobicContact CB-CB 4.41Å; R118-D121 WeakPolarHBondContact CB-OD2 3.45Å; R118-D121 VanDerWaalsContact CD-OD2 3.31Å; R118-D121 WeakPolarHBondContact CD-OD2 3.43Å; R118-D121 PolarHBondContact O-N 2.94Å; A119-D121 PolarHBondContact O-N 2.89Å; A119-D121 VanDerWaalsContact O-N 3.14Å; D121-K149 CarbonylContact O-C 3.55Å; D121-K149 WeakPolarHBondContact O-CA 3.49Å; D121-R150 PolarHBondContact O-N 3.4Å
122	Y	89.2	Confident	87.5	Confident	31 Å²	31	54.7 Å²	54.7	12%	0.122	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.4	-171.9	-59.9	-89.3	0	0	0	111.7	L112 F116 R118 A119 P120 I147 K148 K149 I238	L112-Y122 HydrophobicContact CD2-CD2 4.23Å; L112-Y122 HydrophobicContact CD2-CG 4.25Å; F116-Y122 HydrophobicContact CB-CE2 4.32Å; F116-Y122 HydrophobicContact CD2-CD1 4.08Å; F116-Y122 AromaticContact CD2-CD2 3.52Å; F116-Y122 HydrophobicContact CD2-CD2 3.52Å; F116-Y122 HydrophobicContact CD2-CE1 4.16Å; F116-Y122 AromaticContact CD2-CE2 3.61Å; F116-Y122 HydrophobicContact CD2-CE2 3.61Å; F116-Y122 AromaticContact CD2-CG 3.76Å; F116-Y122 HydrophobicContact CD2-CG 3.76Å; F116-Y122 AromaticContact CD2-CZ 3.94Å; F116-Y122 AromaticContact CE2-CD1 3.86Å; F116-Y122 HydrophobicContact CE2-CD1 3.86Å; F116-Y122 HydrophobicContact CE2-CD2 4.16Å; F116-Y122 HydrophobicContact CE2-CE1 4.02Å; F116-Y122 HydrophobicContact CE2-CE2 4.3Å; F116-Y122 AromaticContact CE2-CG 3.93Å; F116-Y122 HydrophobicContact CE2-CG 3.93Å; F116-Y122 HydrophobicContact CG-CD2 4.48Å; F116-Y122 HydrophobicContact CG-CE2 4.29Å; R118-Y122 VanDerWaalsContact O-CD2 3.27Å; R118-Y122 WeakPolarHBondContact O-CD2 3.31Å; R118-Y122 WeakPolarHBondContact O-CE2 3.34Å; A119-Y122 PolarHBondContact O-N 3.33Å; P120-Y122 PolarHBondContact O-N 2.66Å; Y122-I147 HydrophobicContact CD1-CD1 3.87Å; Y122-K148 CarbonylContact C-O 3.49Å; Y122-K148 VanDerWaalsContact CA-O 3.3Å; Y122-K148 WeakPolarHBondContact CA-O 3.24Å; Y122-K149 HydrophobicContact CD1-CB 4.11Å; Y122-K149 HydrophobicContact CD1-CG 4.33Å; Y122-K149 HydrophobicContact CE1-CB 3.91Å; Y122-K149 HydrophobicContact CE1-CD 4.02Å; Y122-K149 HydrophobicContact CE1-CG 3.82Å; Y122-I238 HydrophobicContact CE1-CD1 4.08Å; Y122-I238 HydrophobicContact CE1-CG2 4.36Å
123	S	90.8	Very high	87.6	Confident	23 Å²	23	53.3 Å²	53.3	16%	0.161	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141	172.2	60.2	0	0	0	0	111.5	I147 K148 R150	S123-I147 CarbonylContact O-C 3.52Å; S123-I147 WeakPolarHBondContact O-CA 3.47Å; S123-K148 PolarHBondContact N-O 3.22Å; S123-K148 PolarHBondContact O-N 2.98Å; S123-R150 PolarHBondContact OG-NE 2.88Å; S123-R150 PolarHBondContact OG-NH2 3.25Å; S123-R150 VanDerWaalsContact OG-NH2 3.08Å
124	F	93.3	Very high	87.6	Confident	53 Å²	53	52 Å²	52	23%	0.232	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	135.9	172.4	-175.2	-99.6	0	0	0	110.9	A104 K105 L108 V127 M145	A104-F124 HydrophobicContact CB-CE2 3.95Å; A104-F124 HydrophobicContact CB-CZ 4.38Å; K105-F124 HydrophobicContact CG-CD1 4.05Å; K105-F124 HydrophobicContact CG-CD2 4.09Å; K105-F124 HydrophobicContact CG-CE1 4.15Å; K105-F124 HydrophobicContact CG-CE2 4.21Å; K105-F124 HydrophobicContact CG-CG 4Å; K105-F124 HydrophobicContact CG-CZ 4.22Å; L108-F124 HydrophobicContact CD2-CB 3.71Å; L108-F124 HydrophobicContact CD2-CD2 3.99Å; L108-F124 HydrophobicContact CD2-CG 4.36Å; F124-V127 HydrophobicContact CE2-CG2 4.27Å; F124-V127 HydrophobicContact CZ-CG2 3.84Å; F124-M145 HydrophobicContact CE2-CB 4.42Å; F124-M145 HydrophobicContact CE2-SD 4.41Å
125	D	93	Very high	87.8	Confident	55 Å²	55	46.8 Å²	46.8	29%	0.294	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-66.7	172.5	-165.4	37	0	0	0	109.9	K146 K148	D125-K146 HydrophobicContact CB-CB 4.3Å; D125-K146 HydrophobicContact CB-CG 4.21Å; D125-K146 VanDerWaalsContact CB-O 3.27Å; D125-K146 WeakPolarHBondContact CB-O 3.43Å; D125-K146 PolarHBondContact N-O 2.97Å; D125-K146 WeakPolarHBondContact OD2-CD 3.26Å; D125-K148 HydrophobicContact CB-CG 4.31Å; D125-K148 VanDerWaalsContact CG-CE 3.45Å; D125-K148 VanDerWaalsContact OD1-CE 3.24Å; D125-K148 WeakPolarHBondContact OD1-CE 3.21Å; D125-K148 IonicContact OD1-NZ 3.69Å; D125-K148 PolarHBondContact OD1-NZ 3.29Å; D125-K148 VanDerWaalsContact OD1-NZ 3.12Å
126	K	93.5	Very high	87.7	Confident	87 Å²	87	45.7 Å²	45.7	38%	0.378	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	160.4	179.4	62.4	-177.1	-178.6	-179.4	0	113.1	M145 K146 E202	K126-M145 WeakPolarHBondContact O-CA 3.24Å; K126-K146 HydrophobicContact CG-CB 4.25Å; K126-K146 PolarHBondContact N-O 2.88Å; K126-K146 PolarHBondContact O-N 3.19Å; K126-E202 WeakPolarHBondContact CE-OE2 3.24Å; K126-E202 IonicContact NZ-OE2 3.37Å; K126-E202 PolarHBondContact NZ-OE2 3.41Å
127	V	94.2	Very high	87.4	Confident	12 Å²	12	47.6 Å²	47.6	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.7	161.1	-173.9	0	0	0	0	108.6	R100 D101 A104 F124 V129 L143	R100-V127 HydrophobicContact CG-CG1 4.14Å; D101-V127 HydrophobicContact CB-CG2 4.45Å; D101-V127 WeakPolarHBondContact OD1-CB 3.15Å; D101-V127 VanDerWaalsContact OD1-CG2 3.25Å; D101-V127 WeakPolarHBondContact OD1-CG2 3.32Å; A104-V127 HydrophobicContact CB-CG2 3.26Å; F124-V127 HydrophobicContact CE2-CG2 4.27Å; F124-V127 HydrophobicContact CZ-CG2 3.84Å; V127-V129 WeakPolarHBondContact CG1-O 3.4Å; V127-L143 HydrophobicContact CG1-CD2 4.48Å
128	I	90.9	Very high	88	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.062	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-50.8	173.1	-62.1	170.7	0	0	0	108.9	H144 K146 Y171 E202 L205 A206	I128-H144 PolarHBondContact N-O 3.44Å; I128-K146 HydrophobicContact CD1-CB 4.2Å; I128-K146 HydrophobicContact CG1-CB 4.44Å; I128-Y171 HydrophobicContact CD1-CD1 3.72Å; I128-Y171 HydrophobicContact CD1-CE1 3.73Å; I128-E202 HydrophobicContact CD1-CG 4.5Å; I128-L205 HydrophobicContact CG2-CB 3.76Å; I128-L205 HydrophobicContact CG2-CD1 4.12Å; I128-A206 WeakPolarHBondContact O-CB 3.21Å
129	V	91.3	Very high	88.7	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	152	179.4	59.5	0	0	0	0	110.6	V127 H144 L210	V127-V129 WeakPolarHBondContact CG1-O 3.4Å; V129-H144 HydrophobicContact CG1-CB 3.68Å; V129-H144 PolarHBondContact N-O 3.07Å; V129-H144 PolarHBondContact O-N 2.88Å; V129-L210 HydrophobicContact CB-CD1 4.33Å; V129-L210 HydrophobicContact CG1-CD1 3.9Å; V129-L210 HydrophobicContact CG1-CD2 3.87Å; V129-L210 HydrophobicContact CG1-CG 4.19Å; V129-L210 HydrophobicContact CG2-CD1 3.82Å; V129-L210 HydrophobicContact CG2-CD2 4.31Å; V129-L210 HydrophobicContact CG2-CG 3.86Å
130	G	92.7	Very high	89.4	Confident	11 Å²	11	46.2 Å²	46.2	11%	0.113	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	144.1	173.1	0	0	0	0	0	111.1	I142	G130-I142 CarbonylContact C-O 3.59Å; G130-I142 WeakPolarHBondContact CA-O 3.45Å
131	A	92.9	Very high	90	Very high	20 Å²	20	40.8 Å²	40.8	17%	0.165	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.1	-177.3	0	0	0	0	0	110.8	A141 I142 L210	A131-A141 CarbonylContact O-C 3.54Å; A131-A141 WeakPolarHBondContact O-CA 3.3Å; A131-I142 PolarHBondContact N-O 3.29Å; A131-I142 PolarHBondContact O-N 2.9Å; A131-L210 HydrophobicContact CB-CB 4.11Å; A131-L210 HydrophobicContact CB-CD1 4.28Å
132	K	92.7	Very high	90.6	Very high	58 Å²	58	39.9 Å²	39.9	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.9	166.2	-71.3	-112.1	-173.9	174.7	0	108.1	W95 E139 G140 C211	W95-K132 HydrophobicContact CD2-CG 4.26Å; W95-K132 HydrophobicContact CE3-CG 4.3Å; W95-K132 HydrophobicContact CG-CG 4.46Å; K132-E139 HydrophobicContact CD-CG 3.84Å; K132-E139 WeakPolarHBondContact CD-OE1 3.21Å; K132-E139 IonicContact NZ-OE1 2.69Å; K132-E139 PolarHBondContact NZ-OE1 2.98Å; K132-G140 CarbonylContact C-O 3.56Å; K132-G140 WeakPolarHBondContact CA-O 3.27Å; K132-C211 PolarHBondContact O-SG 2.65Å
133	C	90.8	Very high	90.8	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.3	-173.8	-56.5	0	0	0	0	110.7	I135 G140 I142 C211 Y222	C133-I135 PolarHBondContact O-N 3.49Å; C133-G140 PolarHBondContact N-O 3.3Å; C133-G140 PolarHBondContact O-N 2.88Å; C133-I142 HydrophobicContact CB-CD1 4.42Å; C133-I142 VanDerWaalsContact SG-CD1 3.59Å; C133-C211 WeakPolarHBondContact CA-SG 3.36Å; C133-C211 HydrophobicContact CB-CB 3.87Å; C133-C211 WeakPolarHBondContact CB-SG 3.27Å; C133-C211 WeakPolarHBondContact SG-CA 3.48Å; C133-C211 WeakPolarHBondContact SG-CB 3.28Å; C133-C211 CovalentContact SG-SG 2.04Å; C133-C211 PolarHBondContact SG-SG 3.2Å; C133-Y222 HydrophobicContact CB-CE1 4.4Å; C133-Y222 HydrophobicContact CB-CE2 4.07Å
134	N	89	Confident	91	Very high	101 Å²	101	37.4 Å²	37.4	54%	0.54	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	109.2	170.4	-176.2	-36.7	0	0	0	108.8	G137 D138 Y222	N134-G137 WeakPolarHBondContact OD1-CA 3.28Å; N134-G137 PolarHBondContact OD1-N 3.02Å; N134-D138 WeakPolarHBondContact CA-O 3.46Å; N134-Y222 WeakPolarHBondContact O-CE2 3.43Å; N134-Y222 PolarHBondContact O-OH 2.78Å
135	I	88	Confident	91	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	104.8	177.5	-50.5	-172.4	0	0	0	107.9	C133 G137 D138 V175 F177 L187 Y222	C133-I135 PolarHBondContact O-N 3.49Å; I135-G137 PolarHBondContact O-N 3.22Å; I135-G137 VanDerWaalsContact O-N 3.14Å; I135-D138 PolarHBondContact N-O 2.98Å; I135-D138 PolarHBondContact O-N 3.3Å; I135-V175 HydrophobicContact CD1-CG2 3.56Å; I135-F177 HydrophobicContact CB-CE1 4.19Å; I135-F177 HydrophobicContact CB-CZ 4.23Å; I135-F177 HydrophobicContact CG2-CZ 4.28Å; I135-L187 HydrophobicContact CD1-CD1 4.11Å; I135-L187 HydrophobicContact CG2-CD1 3.69Å; I135-Y222 HydrophobicContact CB-CE2 4.42Å; I135-Y222 HydrophobicContact CD1-CD2 4.28Å; I135-Y222 HydrophobicContact CG1-CD2 3.86Å; I135-Y222 HydrophobicContact CG1-CE2 3.76Å; I135-Y222 HydrophobicContact CG2-CD2 4.41Å
136	S	79.9	Confident	91	Very high	74 Å²	74	32.4 Å²	32.4	52%	0.517	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	33.1	178.2	-55	0	0	0	0	114.8	G220	S136-G220 PolarHBondContact N-O 2.76Å
137	G	81.2	Confident	91.1	Very high	55 Å²	55	28.2 Å²	28.2	57%	0.567	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.8	-20.2	-179.9	0	0	0	0	0	114.5	N134 I135	N134-G137 WeakPolarHBondContact OD1-CA 3.28Å; N134-G137 PolarHBondContact OD1-N 3.02Å; I135-G137 PolarHBondContact O-N 3.22Å; I135-G137 VanDerWaalsContact O-N 3.14Å
138	D	86.1	Confident	90.9	Very high	105 Å²	105	31 Å²	31	56%	0.561	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	152.4	-178	-73.4	-38.3	0	0	0	112.4	N134 I135 G140 F177	N134-D138 WeakPolarHBondContact CA-O 3.46Å; I135-D138 PolarHBondContact N-O 2.98Å; I135-D138 PolarHBondContact O-N 3.3Å; D138-G140 PolarHBondContact O-N 3.5Å; D138-G140 VanDerWaalsContact O-N 3.12Å; D138-F177 HydrophobicContact CB-CD1 4.41Å; D138-F177 HydrophobicContact CB-CE1 3.58Å; D138-F177 HydrophobicContact CB-CZ 4.15Å
139	E	89.6	Confident	90.7	Very high	121 Å²	121	32.7 Å²	32.7	57%	0.565	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	102	173.7	-170.7	-174.1	85.1	0	0	110.6	K132	K132-E139 HydrophobicContact CD-CG 3.84Å; K132-E139 WeakPolarHBondContact CD-OE1 3.21Å; K132-E139 IonicContact NZ-OE1 2.69Å; K132-E139 PolarHBondContact NZ-OE1 2.98Å
140	G	93.1	Very high	90.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-178.6	170.2	0	0	0	0	0	112.5	K132 C133 D138 G176	K132-G140 CarbonylContact C-O 3.56Å; K132-G140 WeakPolarHBondContact CA-O 3.27Å; C133-G140 PolarHBondContact N-O 3.3Å; C133-G140 PolarHBondContact O-N 2.88Å; D138-G140 PolarHBondContact O-N 3.5Å; D138-G140 VanDerWaalsContact O-N 3.12Å; G140-G176 CarbonylContact C-O 3.49Å; G140-G176 WeakPolarHBondContact CA-O 3.38Å
141	A	94.9	Very high	89.1	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.6	175.3	0	0	0	0	0	111.4	W95 A131 W174 V175 G176 L178	W95-A141 HydrophobicContact CH2-CB 3.87Å; W95-A141 HydrophobicContact CZ3-CB 3.99Å; A131-A141 CarbonylContact O-C 3.54Å; A131-A141 WeakPolarHBondContact O-CA 3.3Å; A141-W174 HydrophobicContact CB-CZ3 4.11Å; A141-W174 WeakPolarHBondContact O-CZ3 3.45Å; A141-V175 WeakPolarHBondContact O-CA 3.45Å; A141-G176 PolarHBondContact N-O 2.83Å; A141-G176 PolarHBondContact O-N 3.28Å; A141-G176 VanDerWaalsContact O-N 3.1Å; A141-L178 HydrophobicContact CB-CD1 3.74Å; A141-L178 HydrophobicContact CB-CG 4.19Å
142	I	94.6	Very high	87.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.6	171.2	-53.9	177.5	0	0	0	107.4	G130 A131 C133 W174 V175 L210 W214 Y222	G130-I142 CarbonylContact C-O 3.59Å; G130-I142 WeakPolarHBondContact CA-O 3.45Å; A131-I142 PolarHBondContact N-O 3.29Å; A131-I142 PolarHBondContact O-N 2.9Å; C133-I142 HydrophobicContact CB-CD1 4.42Å; C133-I142 VanDerWaalsContact SG-CD1 3.59Å; I142-W174 WeakPolarHBondContact CA-O 3.32Å; I142-V175 HydrophobicContact CG1-CB 4.35Å; I142-V175 HydrophobicContact CG1-CG2 3.94Å; I142-L210 HydrophobicContact CB-CB 4.48Å; I142-L210 HydrophobicContact CB-CD1 4.09Å; I142-L210 HydrophobicContact CD1-CB 4.44Å; I142-L210 HydrophobicContact CG2-CB 4.45Å; I142-L210 HydrophobicContact CG2-CD1 3.86Å; I142-W214 HydrophobicContact CG2-CD2 4.38Å; I142-W214 HydrophobicContact CG2-CE3 3.54Å; I142-W214 HydrophobicContact CG2-CH2 4.25Å; I142-W214 HydrophobicContact CG2-CZ3 3.45Å; I142-W214 VanDerWaalsContact CG2-CZ3 3.45Å; I142-Y222 HydrophobicContact CD1-CD1 3.37Å; I142-Y222 HydrophobicContact CD1-CD2 4.39Å; I142-Y222 HydrophobicContact CD1-CE1 3.77Å; I142-Y222 HydrophobicContact CD1-CG 3.71Å
143	L	94.9	Very high	86.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.1	179.2	-70.8	168.6	0	0	0	109.6	W95 R100 A103 A104 V107 V127 M145 S173 W174	W95-L143 HydrophobicContact CH2-CD1 4.25Å; W95-L143 HydrophobicContact CH2-CD2 3.52Å; W95-L143 HydrophobicContact CH2-CG 3.99Å; W95-L143 HydrophobicContact CZ3-CD2 3.52Å; W95-L143 HydrophobicContact CZ3-CG 4.16Å; R100-L143 HydrophobicContact CG-CD2 3.92Å; A103-L143 HydrophobicContact CB-CD1 4.43Å; A104-L143 HydrophobicContact CB-CD1 4.27Å; A104-L143 HydrophobicContact CB-CD2 4.45Å; V107-L143 HydrophobicContact CB-CD1 4.5Å; V107-L143 HydrophobicContact CG2-CD1 4Å; V127-L143 HydrophobicContact CG1-CD2 4.48Å; L143-M145 HydrophobicContact CB-CE 4.29Å; L143-S173 CarbonylContact O-C 3.57Å; L143-S173 VanDerWaalsContact O-CA 3.28Å; L143-S173 WeakPolarHBondContact O-CA 2.94Å; L143-W174 HydrophobicContact CB-CE3 4.45Å; L143-W174 HydrophobicContact CD1-CE3 3.98Å; L143-W174 HydrophobicContact CD1-CZ3 4.36Å; L143-W174 HydrophobicContact CG-CE3 4.33Å; L143-W174 PolarHBondContact N-O 2.79Å; L143-W174 PolarHBondContact O-N 3.32Å
144	H	93.6	Very high	85.1	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.3	167.3	-171.5	67	0	0	0	109.1	I128 V129 Y171 C172 S173 W214	I128-H144 PolarHBondContact N-O 3.44Å; V129-H144 HydrophobicContact CG1-CB 3.68Å; V129-H144 PolarHBondContact N-O 3.07Å; V129-H144 PolarHBondContact O-N 2.88Å; H144-Y171 AromaticContact NE2-CD1 4Å; H144-C172 CarbonylContact C-O 3.36Å; H144-C172 WeakPolarHBondContact CA-O 3.37Å; H144-C172 PolarHBondContact ND1-O 3.44Å; H144-S173 PolarHBondContact ND1-OG 2.93Å; H144-W214 HydrophobicContact CB-CH2 4.44Å
145	M	94.4	Very high	83.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.1	-171.1	68.8	-174.5	88.7	0	0	111.7	A104 V107 L108 F124 K126 L143 I147 C172	A104-M145 HydrophobicContact CB-CE 3.98Å; A104-M145 HydrophobicContact CB-SD 4.26Å; V107-M145 HydrophobicContact CB-CE 4.25Å; V107-M145 HydrophobicContact CG1-CE 3.9Å; L108-M145 HydrophobicContact CB-SD 4.19Å; F124-M145 HydrophobicContact CE2-CB 4.42Å; F124-M145 HydrophobicContact CE2-SD 4.41Å; K126-M145 WeakPolarHBondContact O-CA 3.24Å; L143-M145 HydrophobicContact CB-CE 4.29Å; M145-I147 HydrophobicContact CG-CG2 4.3Å; M145-I147 HydrophobicContact SD-CG2 4.47Å; M145-C172 HydrophobicContact CG-CB 3.85Å; M145-C172 PolarHBondContact N-O 2.68Å; M145-C172 PolarHBondContact O-N 3.22Å
146	K	93.9	Very high	81.8	Confident	3 Å²	3	61.5 Å²	61.5	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.1	171.7	-172.5	174.3	179.5	176.1	0	108.9	D125 K126 I128 N169 Y171 E196 E202	D125-K146 HydrophobicContact CB-CB 4.3Å; D125-K146 HydrophobicContact CB-CG 4.21Å; D125-K146 VanDerWaalsContact CB-O 3.27Å; D125-K146 WeakPolarHBondContact CB-O 3.43Å; D125-K146 PolarHBondContact N-O 2.97Å; D125-K146 WeakPolarHBondContact OD2-CD 3.26Å; K126-K146 HydrophobicContact CG-CB 4.25Å; K126-K146 PolarHBondContact N-O 2.88Å; K126-K146 PolarHBondContact O-N 3.19Å; I128-K146 HydrophobicContact CD1-CB 4.2Å; I128-K146 HydrophobicContact CG1-CB 4.44Å; K146-N169 WeakPolarHBondContact CE-OD1 2.71Å; K146-Y171 HydrophobicContact CB-CE1 4.37Å; K146-Y171 HydrophobicContact CD-CE1 4.09Å; K146-Y171 HydrophobicContact CG-CE1 4.11Å; K146-E196 IonicContact NZ-OE1 3.37Å; K146-E196 PolarHBondContact NZ-OE1 3.11Å; K146-E202 WeakPolarHBondContact CD-OE1 3.41Å; K146-E202 IonicContact NZ-OE1 3.12Å; K146-E202 PolarHBondContact NZ-OE1 3.43Å
147	I	93.5	Very high	80.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.1	173.2	74.9	179.6	0	0	0	108.9	L108 F116 Y122 S123 M145 V170	L108-I147 HydrophobicContact CD1-CD1 4.07Å; L108-I147 HydrophobicContact CD1-CG2 4Å; L108-I147 HydrophobicContact CD2-CG2 3.89Å; F116-I147 HydrophobicContact CE2-CD1 3.85Å; F116-I147 HydrophobicContact CZ-CD1 4.27Å; Y122-I147 HydrophobicContact CD1-CD1 3.87Å; S123-I147 CarbonylContact O-C 3.52Å; S123-I147 WeakPolarHBondContact O-CA 3.47Å; M145-I147 HydrophobicContact CG-CG2 4.3Å; M145-I147 HydrophobicContact SD-CG2 4.47Å; I147-V170 HydrophobicContact CD1-CB 4.11Å; I147-V170 HydrophobicContact CD1-CG1 3.77Å; I147-V170 HydrophobicContact CG1-CB 3.52Å; I147-V170 HydrophobicContact CG1-CG1 3.68Å; I147-V170 PolarHBondContact N-O 3.5Å; I147-V170 PolarHBondContact O-N 2.9Å; I147-V170 VanDerWaalsContact O-O 3.13Å
148	K	90.8	Very high	79.3	Confident	71 Å²	71	73 Å²	73	31%	0.309	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.6	178.6	-69.8	-178.6	-179.7	166.8	0	110	Y122 S123 D125 A167	Y122-K148 CarbonylContact C-O 3.49Å; Y122-K148 VanDerWaalsContact CA-O 3.3Å; Y122-K148 WeakPolarHBondContact CA-O 3.24Å; S123-K148 PolarHBondContact N-O 3.22Å; S123-K148 PolarHBondContact O-N 2.98Å; D125-K148 HydrophobicContact CB-CG 4.31Å; D125-K148 VanDerWaalsContact CG-CE 3.45Å; D125-K148 VanDerWaalsContact OD1-CE 3.24Å; D125-K148 WeakPolarHBondContact OD1-CE 3.21Å; D125-K148 IonicContact OD1-NZ 3.69Å; D125-K148 PolarHBondContact OD1-NZ 3.29Å; D125-K148 VanDerWaalsContact OD1-NZ 3.12Å; K148-A167 HydrophobicContact CB-CB 4.3Å; K148-A167 HydrophobicContact CD-CB 4.33Å
149	K	87.2	Confident	77.6	Confident	46 Å²	46	77.9 Å²	77.9	20%	0.2	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.1	169.2	-175.8	-177.9	174.9	-166.8	0	108.9	D121 Y122 E151 D152 A167 T168 V170	D121-K149 CarbonylContact O-C 3.55Å; D121-K149 WeakPolarHBondContact O-CA 3.49Å; Y122-K149 HydrophobicContact CD1-CB 4.11Å; Y122-K149 HydrophobicContact CD1-CG 4.33Å; Y122-K149 HydrophobicContact CE1-CB 3.91Å; Y122-K149 HydrophobicContact CE1-CD 4.02Å; Y122-K149 HydrophobicContact CE1-CG 3.82Å; K149-E151 WeakPolarHBondContact CE-O 3.38Å; K149-D152 IonicContact NZ-OD1 2.61Å; K149-D152 PolarHBondContact NZ-OD1 3.4Å; K149-A167 CarbonylContact O-C 3.57Å; K149-A167 WeakPolarHBondContact O-CA 3.37Å; K149-T168 PolarHBondContact N-O 2.92Å; K149-T168 PolarHBondContact O-N 3.06Å; K149-V170 HydrophobicContact CB-CG2 4Å
150	R	80	Confident	76.1	Confident	144 Å²	144	74.3 Å²	74.3	54%	0.543	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-21.3	-171	-62.2	-176.3	-175.2	-169.5	-0.6	114.5	D121 S123 V165	D121-R150 PolarHBondContact O-N 3.4Å; S123-R150 PolarHBondContact OG-NE 2.88Å; S123-R150 PolarHBondContact OG-NH2 3.25Å; S123-R150 VanDerWaalsContact OG-NH2 3.08Å; R150-V165 PolarHBondContact O-N 2.71Å
151	E	70.9	Confident	74.4	Confident	75 Å²	75	77.9 Å²	77.9	35%	0.35	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.3	-178.2	-62.1	-168.4	176.4	0	0	111	K149 C162	K149-E151 WeakPolarHBondContact CE-O 3.38Å; E151-C162 WeakPolarHBondContact OE2-CB 3.5Å
152	D	66.1	Low	73.1	Confident	70 Å²	70	80 Å²	80	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.9	167.2	-166.5	32.8	0	0	0	109.8	K149 K163 V165	K149-D152 IonicContact NZ-OD1 2.61Å; K149-D152 PolarHBondContact NZ-OD1 3.4Å; D152-K163 PolarHBondContact N-O 3.4Å; D152-K163 PolarHBondContact O-N 2.79Å; D152-V165 HydrophobicContact CB-CB 4.48Å; D152-V165 HydrophobicContact CB-CG2 3.38Å
153	C	64	Low	71.5	Confident	31 Å²	31	87.2 Å²	87.2	21%	0.209	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	109.7	-170.7	-59.3	0	0	0	0	109.9	R118 C162	R118-C153 PolarHBondContact NH1-SG 2.72Å; C153-C162 HydrophobicContact CB-CB 4.13Å; C153-C162 WeakPolarHBondContact CB-SG 3.31Å; C153-C162 WeakPolarHBondContact SG-CB 3.49Å; C153-C162 CovalentContact SG-SG 2.05Å; C153-C162 PolarHBondContact SG-SG 3.34Å
154	K	61.3	Low	69.9	Low	143 Å²	143	92.5 Å²	92.5	62%	0.622	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.8	172.1	-66.8	-173.9	178.8	-175.1	0	108.9	K156 S160 T161	K154-K156 PolarHBondContact O-N 3.25Å; K154-S160 WeakPolarHBondContact O-CA 3.49Å; K154-T161 PolarHBondContact N-O 3.12Å; K154-T161 VanDerWaalsContact N-O 3.09Å; K154-T161 PolarHBondContact O-N 2.84Å; K154-T161 VanDerWaalsContact O-N 3.11Å
155	K	57	Low	68.6	Low	190 Å²	190	95.4 Å²	95.4	83%	0.826	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.2	167.4	-77.1	-175.1	176.9	179.5	0	108.7
156	K	50.3	Low	67.1	Low	161 Å²	161	102.7 Å²	102.7	70%	0.7	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	108.9	167	-86.2	-168.9	174.6	-173.9	0	109	K154 I158 W159	K154-K156 PolarHBondContact O-N 3.25Å; K156-I158 PolarHBondContact O-N 3.26Å; K156-W159 CarbonylContact C-O 3.53Å; K156-W159 PolarHBondContact N-O 3.21Å; K156-W159 PolarHBondContact O-N 2.9Å
157	F	52.8	Low	65.9	Low	221 Å²	221	105 Å²	105	97%	0.969	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	-44	168.7	-121.2	-98.3	0	0	0	119.2
158	I	55.9	Low	65.5	Low	148 Å²	148	107.5 Å²	107.5	76%	0.759	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.5	-27	174.4	-49.4	-180	0	0	0	111	K156	K156-I158 PolarHBondContact O-N 3.26Å
159	W	50.8	Low	65.4	Low	209 Å²	209	104.7 Å²	104.7	79%	0.792	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	145.4	-173.9	-55.8	-2.1	0	0	0	111.4	K156	K156-W159 CarbonylContact C-O 3.53Å; K156-W159 PolarHBondContact N-O 3.21Å; K156-W159 PolarHBondContact O-N 2.9Å
160	S	57.9	Low	65.6	Low	45 Å²	45	102.5 Å²	102.5	32%	0.315	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117	169.5	62.4	0	0	0	0	109.6	R118 K154	R118-S160 PolarHBondContact NH1-OG 3.01Å; R118-S160 PolarHBondContact NH2-OG 3.34Å; K154-S160 WeakPolarHBondContact O-CA 3.49Å
161	T	58.2	Low	66.2	Low	77 Å²	77	95.7 Å²	95.7	47%	0.472	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109	166.8	50.8	0	0	0	0	108	K154	K154-T161 PolarHBondContact N-O 3.12Å; K154-T161 VanDerWaalsContact N-O 3.09Å; K154-T161 PolarHBondContact O-N 2.84Å; K154-T161 VanDerWaalsContact O-N 3.11Å
162	C	66.2	Low	67.4	Low	45 Å²	45	92.1 Å²	92.1	30%	0.304	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.9	169	-63	0	0	0	0	109.1	R118 E151 C153	R118-C162 PolarHBondContact NH1-SG 3.17Å; E151-C162 WeakPolarHBondContact OE2-CB 3.5Å; C153-C162 HydrophobicContact CB-CB 4.13Å; C153-C162 WeakPolarHBondContact CB-SG 3.31Å; C153-C162 WeakPolarHBondContact SG-CB 3.49Å; C153-C162 CovalentContact SG-SG 2.05Å; C153-C162 PolarHBondContact SG-SG 3.34Å
163	K	61	Low	68.7	Low	151 Å²	151	88.8 Å²	88.8	66%	0.657	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	131.9	165.8	-67.6	-172.4	176.6	-170.8	0	107	D152 V165	D152-K163 PolarHBondContact N-O 3.4Å; D152-K163 PolarHBondContact O-N 2.79Å; K163-V165 WeakPolarHBondContact O-CG2 3.32Å; K163-V165 PolarHBondContact O-N 3.14Å
164	P	61.8	Low	70.3	Confident	112 Å²	112	87.3 Å²	87.3	73%	0.727	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	125.6	164.6	25.2	-31	0	0	0	106.9
165	V	65.8	Low	71.8	Confident	61 Å²	61	80.6 Å²	80.6	37%	0.37	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	149.3	174.5	-174.8	0	0	0	0	106.6	R150 D152 K163 A167	R150-V165 PolarHBondContact O-N 2.71Å; D152-V165 HydrophobicContact CB-CB 4.48Å; D152-V165 HydrophobicContact CB-CG2 3.38Å; K163-V165 WeakPolarHBondContact O-CG2 3.32Å; K163-V165 PolarHBondContact O-N 3.14Å; V165-A167 PolarHBondContact O-N 2.93Å
166	N	62.9	Low	73.6	Confident	153 Å²	153	71.5 Å²	71.5	82%	0.818	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49	122.9	164.4	-74.5	-12.3	0	0	0	107.6	T168	N166-T168 PolarHBondContact O-N 3.27Å
167	A	70.3	Confident	75.7	Confident	51 Å²	51	65 Å²	65	42%	0.421	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.4	114.3	-167.3	0	0	0	0	0	111.1	K148 K149 V165	K148-A167 HydrophobicContact CB-CB 4.3Å; K148-A167 HydrophobicContact CD-CB 4.33Å; K149-A167 CarbonylContact O-C 3.57Å; K149-A167 WeakPolarHBondContact O-CA 3.37Å; V165-A167 PolarHBondContact O-N 2.93Å
168	T	83.6	Confident	77.7	Confident	53 Å²	53	55.6 Å²	55.6	33%	0.325	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.7	-178.9	-52.6	0	0	0	0	108.7	K149 N166 A193	K149-T168 PolarHBondContact N-O 2.92Å; K149-T168 PolarHBondContact O-N 3.06Å; N166-T168 PolarHBondContact O-N 3.27Å; T168-A193 HydrophobicContact CG2-CB 4.17Å
169	N	89.6	Confident	79.4	Confident	13 Å²	13	57.7 Å²	57.7	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130	174.9	-66.4	-44.7	0	0	0	110.1	K146 Y171 A193 L194 E196	K146-N169 WeakPolarHBondContact CE-OD1 2.71Å; N169-Y171 HydrophobicContact CB-CE2 3.88Å; N169-A193 WeakPolarHBondContact O-CA 3.44Å; N169-L194 PolarHBondContact O-N 2.93Å; N169-E196 WeakPolarHBondContact ND2-CA 3.37Å; N169-E196 VanDerWaalsContact ND2-CB 3.26Å; N169-E196 WeakPolarHBondContact ND2-CB 3.5Å
170	V	91.7	Very high	81.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.4	173.2	171.8	0	0	0	0	107.2	I147 K149 C191 Y192 A193 I238	I147-V170 HydrophobicContact CD1-CB 4.11Å; I147-V170 HydrophobicContact CD1-CG1 3.77Å; I147-V170 HydrophobicContact CG1-CB 3.52Å; I147-V170 HydrophobicContact CG1-CG1 3.68Å; I147-V170 PolarHBondContact N-O 3.5Å; I147-V170 PolarHBondContact O-N 2.9Å; I147-V170 VanDerWaalsContact O-O 3.13Å; K149-V170 HydrophobicContact CB-CG2 4Å; V170-C191 HydrophobicContact CG1-CB 4.19Å; V170-Y192 CarbonylContact C-O 3.56Å; V170-Y192 WeakPolarHBondContact CA-O 3.16Å; V170-A193 HydrophobicContact CG2-CB 4.22Å; V170-I238 HydrophobicContact CB-CD1 4.09Å; V170-I238 HydrophobicContact CG1-CD1 3.49Å; V170-I238 VanDerWaalsContact CG1-CD1 3.49Å; V170-I238 HydrophobicContact CG2-CD1 3.4Å; V170-I238 VanDerWaalsContact CG2-CD1 3.4Å
171	Y	92.5	Very high	82.9	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.5	179	-64.6	-90.8	0	0	0	108	I128 H144 K146 N169 C191 Y192 L194 I197 E202	I128-Y171 HydrophobicContact CD1-CD1 3.72Å; I128-Y171 HydrophobicContact CD1-CE1 3.73Å; H144-Y171 AromaticContact NE2-CD1 4Å; K146-Y171 HydrophobicContact CB-CE1 4.37Å; K146-Y171 HydrophobicContact CD-CE1 4.09Å; K146-Y171 HydrophobicContact CG-CE1 4.11Å; N169-Y171 HydrophobicContact CB-CE2 3.88Å; Y171-C191 VanDerWaalsContact O-CA 3.3Å; Y171-C191 WeakPolarHBondContact O-CA 3.32Å; Y171-Y192 HydrophobicContact CD2-CE2 4.39Å; Y171-Y192 HydrophobicContact CG-CE2 4.31Å; Y171-Y192 PolarHBondContact N-O 3.3Å; Y171-Y192 PolarHBondContact O-N 3.46Å; Y171-L194 HydrophobicContact CD2-CB 4.11Å; Y171-L194 HydrophobicContact CE2-CB 4.1Å; Y171-I197 HydrophobicContact CD1-CD1 3.93Å; Y171-I197 HydrophobicContact CD2-CD1 4.17Å; Y171-I197 HydrophobicContact CE1-CB 4.41Å; Y171-I197 HydrophobicContact CE1-CD1 3.51Å; Y171-I197 HydrophobicContact CE1-CG1 4.07Å; Y171-I197 HydrophobicContact CE2-CD1 3.78Å; Y171-I197 HydrophobicContact CE2-CG1 3.88Å; Y171-I197 HydrophobicContact CG-CD1 4.25Å; Y171-I197 VanDerWaalsContact CZ-CD1 3.43Å; Y171-I197 WeakPolarHBondContact OH-CB 3.2Å; Y171-I197 WeakPolarHBondContact OH-CG1 3.24Å; Y171-I197 PolarHBondContact OH-N 2.9Å; Y171-I197 VanDerWaalsContact OH-N 3.08Å; Y171-E202 PolarHBondContact OH-OE1 2.82Å
172	C	95.1	Very high	84.5	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.5	-178.5	-71.7	0	0	0	0	110.5	F111 H144 M145 V190 C191	F111-C172 HydrophobicContact CE2-CB 4.32Å; H144-C172 CarbonylContact C-O 3.36Å; H144-C172 WeakPolarHBondContact CA-O 3.37Å; H144-C172 PolarHBondContact ND1-O 3.44Å; M145-C172 HydrophobicContact CG-CB 3.85Å; M145-C172 PolarHBondContact N-O 2.68Å; M145-C172 PolarHBondContact O-N 3.22Å; C172-V190 CarbonylContact C-O 3.08Å; C172-V190 WeakPolarHBondContact CA-O 3.49Å; C172-C191 HydrophobicContact CB-CB 4.22Å; C172-C191 WeakPolarHBondContact CB-SG 3.4Å; C172-C191 WeakPolarHBondContact SG-CB 3.28Å; C172-C191 CovalentContact SG-SG 2.05Å; C172-C191 PolarHBondContact SG-SG 2.91Å
173	S	94.9	Very high	85.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.5	168.8	-50.7	0	0	0	0	109.8	L143 H144 A189 V190 W214	L143-S173 CarbonylContact O-C 3.57Å; L143-S173 VanDerWaalsContact O-CA 3.28Å; L143-S173 WeakPolarHBondContact O-CA 2.94Å; H144-S173 PolarHBondContact ND1-OG 2.93Å; S173-A189 CarbonylContact O-C 3.58Å; S173-A189 VanDerWaalsContact O-CA 3.26Å; S173-A189 WeakPolarHBondContact O-CA 3.33Å; S173-V190 PolarHBondContact N-O 2.88Å; S173-V190 PolarHBondContact O-N 3.28Å; S173-W214 WeakPolarHBondContact OG-CH2 3.37Å
174	W	95.8	Very high	87	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.2	179.1	178	86	0	0	0	110.1	V107 F111 A141 I142 L143 G176 L178 H183 Q185	V107-W174 HydrophobicContact CG1-CB 3.88Å; V107-W174 HydrophobicContact CG1-CD2 3.9Å; V107-W174 HydrophobicContact CG1-CG 3.5Å; V107-W174 HydrophobicContact CG2-CD2 3.91Å; V107-W174 HydrophobicContact CG2-CE3 4.11Å; V107-W174 HydrophobicContact CG2-CG 4.41Å; V107-W174 HydrophobicContact CG2-CH2 4.37Å; V107-W174 HydrophobicContact CG2-CZ2 4.2Å; V107-W174 HydrophobicContact CG2-CZ3 4.33Å; F111-W174 AromaticContact CE1-CD1 3.71Å; F111-W174 HydrophobicContact CZ-CB 3.95Å; F111-W174 AromaticContact CZ-CD1 3.56Å; F111-W174 HydrophobicContact CZ-CG 4.07Å; A141-W174 HydrophobicContact CB-CZ3 4.11Å; A141-W174 WeakPolarHBondContact O-CZ3 3.45Å; I142-W174 WeakPolarHBondContact CA-O 3.32Å; L143-W174 HydrophobicContact CB-CE3 4.45Å; L143-W174 HydrophobicContact CD1-CE3 3.98Å; L143-W174 HydrophobicContact CD1-CZ3 4.36Å; L143-W174 HydrophobicContact CG-CE3 4.33Å; L143-W174 PolarHBondContact N-O 2.79Å; L143-W174 PolarHBondContact O-N 3.32Å; W174-G176 VanDerWaalsContact CH2-CA 3.48Å; W174-L178 HydrophobicContact CH2-CD2 3.58Å; W174-L178 HydrophobicContact CH2-CG 3.97Å; W174-L178 HydrophobicContact CZ2-CD2 4.39Å; W174-L178 HydrophobicContact CZ3-CD2 3.99Å; W174-L178 HydrophobicContact CZ3-CG 4.22Å; W174-H183 AromaticContact CE2-CD2 3.97Å; W174-H183 AromaticContact CZ2-CD2 3.66Å; W174-H183 AromaticContact NE1-CD2 3.84Å; W174-Q185 WeakPolarHBondContact CZ2-O 3.02Å
175	V	94.5	Very high	88.4	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136.4	169.7	60.2	0	0	0	0	109.7	I135 A141 I142 L187 G188 L224 P243	I135-V175 HydrophobicContact CD1-CG2 3.56Å; A141-V175 WeakPolarHBondContact O-CA 3.45Å; I142-V175 HydrophobicContact CG1-CB 4.35Å; I142-V175 HydrophobicContact CG1-CG2 3.94Å; V175-L187 HydrophobicContact CG1-CB 4.26Å; V175-L187 PolarHBondContact O-N 3.47Å; V175-G188 PolarHBondContact N-O 2.9Å; V175-G188 PolarHBondContact O-N 2.88Å; V175-L224 HydrophobicContact CB-CD2 4.26Å; V175-L224 HydrophobicContact CG1-CD2 3.89Å; V175-L224 HydrophobicContact CG1-CG 4.41Å; V175-P243 HydrophobicContact CG1-CB 4.46Å; V175-P243 HydrophobicContact CG1-CG 3.41Å; V175-P243 VanDerWaalsContact CG1-CG 3.41Å
176	G	94.2	Very high	89.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-159.4	177.4	0	0	0	0	0	113.7	G140 A141 W174 Q185	G140-G176 CarbonylContact C-O 3.49Å; G140-G176 WeakPolarHBondContact CA-O 3.38Å; A141-G176 PolarHBondContact N-O 2.83Å; A141-G176 PolarHBondContact O-N 3.28Å; A141-G176 VanDerWaalsContact O-N 3.1Å; W174-G176 VanDerWaalsContact CH2-CA 3.48Å; G176-Q185 CarbonylContact C-O 3.49Å; G176-Q185 VanDerWaalsContact CA-O 3.31Å; G176-Q185 WeakPolarHBondContact CA-O 3.21Å
177	F	94.9	Very high	91	Very high	25 Å²	25	44.4 Å²	44.4	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.6	-179.3	-59.3	-72.3	0	0	0	110.8	I135 D138 K184 Q185 L187	I135-F177 HydrophobicContact CB-CE1 4.19Å; I135-F177 HydrophobicContact CB-CZ 4.23Å; I135-F177 HydrophobicContact CG2-CZ 4.28Å; D138-F177 HydrophobicContact CB-CD1 4.41Å; D138-F177 HydrophobicContact CB-CE1 3.58Å; D138-F177 HydrophobicContact CB-CZ 4.15Å; F177-K184 HydrophobicContact CB-CD 4.34Å; F177-K184 WeakPolarHBondContact O-CB 3.33Å; F177-K184 PolarHBondContact O-N 3.17Å; F177-K184 VanDerWaalsContact O-N 3.08Å; F177-Q185 HydrophobicContact CB-CB 4.38Å; F177-Q185 HydrophobicContact CD2-CB 4.27Å; F177-Q185 HydrophobicContact CD2-CG 4.44Å; F177-Q185 PolarHBondContact N-O 2.57Å; F177-Q185 PolarHBondContact O-N 3.16Å; F177-Q185 VanDerWaalsContact O-N 3.14Å; F177-L187 HydrophobicContact CD2-CD1 4.36Å; F177-L187 HydrophobicContact CD2-CG 4.39Å; F177-L187 HydrophobicContact CE2-CD1 3.74Å; F177-L187 HydrophobicContact CE2-CD2 4.04Å; F177-L187 HydrophobicContact CE2-CG 4.08Å; F177-L187 HydrophobicContact CZ-CD1 4.08Å
178	L	93.5	Very high	92.1	Very high	23 Å²	23	42 Å²	42	12%	0.12	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149	174.6	-58	173.3	0	0	0	109.8	W95 A103 V107 A141 W174 G180 K182	W95-L178 HydrophobicContact CH2-CD1 3.8Å; W95-L178 HydrophobicContact CZ2-CD1 3.79Å; A103-L178 HydrophobicContact CB-CD1 3.92Å; V107-L178 HydrophobicContact CG2-CD2 4.29Å; A141-L178 HydrophobicContact CB-CD1 3.74Å; A141-L178 HydrophobicContact CB-CG 4.19Å; W174-L178 HydrophobicContact CH2-CD2 3.58Å; W174-L178 HydrophobicContact CH2-CG 3.97Å; W174-L178 HydrophobicContact CZ2-CD2 4.39Å; W174-L178 HydrophobicContact CZ3-CD2 3.99Å; W174-L178 HydrophobicContact CZ3-CG 4.22Å; L178-G180 WeakPolarHBondContact CB-O 3.49Å; L178-K182 WeakPolarHBondContact CA-O 3.43Å
179	R	92.1	Very high	92.6	Very high	191 Å²	191	39.4 Å²	39.4	72%	0.721	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	99.7	165	-179.2	-178.9	-81.1	173.4	-4.8	106.9	K182 K184	R179-K182 PolarHBondContact N-O 3.25Å; R179-K182 PolarHBondContact O-N 3.4Å; R179-K184 HydrophobicContact CB-CB 4.15Å; R179-K184 HydrophobicContact CB-CD 4.47Å
180	G	90.3	Very high	92.8	Very high	46 Å²	46	38.8 Å²	38.8	47%	0.474	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-129.3	-159.6	0	0	0	0	0	109.6	L178	L178-G180 WeakPolarHBondContact CB-O 3.49Å
181	E	91.9	Very high	92.9	Very high	46 Å²	46	38.8 Å²	38.8	22%	0.215	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.9	175.7	-67.5	66.4	-151.3	0	0	112.2	K99 E102 A103 N106	K99-E181 HydrophobicContact CB-CG 3.94Å; K99-E181 WeakPolarHBondContact CD-OE1 3.34Å; K99-E181 HydrophobicContact CG-CG 4.39Å; K99-E181 WeakPolarHBondContact O-CG 3.32Å; E102-E181 HydrophobicContact CB-CB 4.39Å; E102-E181 HydrophobicContact CB-CG 4.49Å; E102-E181 HydrophobicContact CG-CB 4.07Å; A103-E181 WeakPolarHBondContact CA-O 3.25Å; A103-E181 HydrophobicContact CB-CB 4.22Å; N106-E181 WeakPolarHBondContact CB-O 3.31Å; N106-E181 PolarHBondContact ND2-O 2.94Å
182	K	92.3	Very high	92.8	Very high	142 Å²	142	38.9 Å²	38.9	62%	0.617	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.4	179.3	-65.3	-177.2	179.4	179.1	0	111	L178 R179 K184	L178-K182 WeakPolarHBondContact CA-O 3.43Å; R179-K182 PolarHBondContact N-O 3.25Å; R179-K182 PolarHBondContact O-N 3.4Å; K182-K184 PolarHBondContact O-N 3.49Å
183	H	89	Confident	92.5	Very high	62 Å²	62	41.2 Å²	41.2	29%	0.287	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	120.7	171.1	172.9	-90.9	0	0	0	110.1	V107 W174 M186	V107-H183 HydrophobicContact CG2-CB 4.49Å; W174-H183 AromaticContact CE2-CD2 3.97Å; W174-H183 AromaticContact CZ2-CD2 3.66Å; W174-H183 AromaticContact NE1-CD2 3.84Å; H183-M186 PolarHBondContact NE2-N 3.33Å
184	K	91	Very high	91.9	Very high	120 Å²	120	42 Å²	42	52%	0.522	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-52.5	173.4	178.8	-167.9	173.1	-165.4	0	110.2	F177 R179 K182	F177-K184 HydrophobicContact CB-CD 4.34Å; F177-K184 WeakPolarHBondContact O-CB 3.33Å; F177-K184 PolarHBondContact O-N 3.17Å; F177-K184 VanDerWaalsContact O-N 3.08Å; R179-K184 HydrophobicContact CB-CB 4.15Å; R179-K184 HydrophobicContact CB-CD 4.47Å; K182-K184 PolarHBondContact O-N 3.49Å
185	Q	91.3	Very high	91.1	Very high	87 Å²	87	47.2 Å²	47.2	41%	0.407	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	132.7	-175.7	-179.5	-179.9	1.7	0	0	110.1	W174 G176 F177	W174-Q185 WeakPolarHBondContact CZ2-O 3.02Å; G176-Q185 CarbonylContact C-O 3.49Å; G176-Q185 VanDerWaalsContact CA-O 3.31Å; G176-Q185 WeakPolarHBondContact CA-O 3.21Å; F177-Q185 HydrophobicContact CB-CB 4.38Å; F177-Q185 HydrophobicContact CD2-CB 4.27Å; F177-Q185 HydrophobicContact CD2-CG 4.44Å; F177-Q185 PolarHBondContact N-O 2.57Å; F177-Q185 PolarHBondContact O-N 3.16Å; F177-Q185 VanDerWaalsContact O-N 3.14Å
186	M	91.4	Very high	90.3	Very high	22 Å²	22	53.6 Å²	53.6	11%	0.108	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.3	172.1	179.9	176.7	72.9	0	0	109.3	F111 Y115 H183 A189 Y241	F111-M186 HydrophobicContact CE1-SD 3.84Å; Y115-M186 HydrophobicContact CE1-CE 3.96Å; Y115-M186 HydrophobicContact CE2-CE 4.07Å; Y115-M186 VanDerWaalsContact CZ-CE 3.46Å; Y115-M186 WeakPolarHBondContact OH-CE 3.43Å; H183-M186 PolarHBondContact NE2-N 3.33Å; M186-A189 HydrophobicContact CG-CB 4.4Å; M186-A189 HydrophobicContact SD-CB 3.44Å; M186-A189 WeakPolarHBondContact SD-CB 3.27Å; M186-Y241 HydrophobicContact CE-CD1 3.41Å; M186-Y241 VanDerWaalsContact CE-CD1 3.41Å; M186-Y241 HydrophobicContact CE-CE1 3.74Å; M186-Y241 HydrophobicContact CE-CG 4.03Å; M186-Y241 HydrophobicContact SD-CD1 4.35Å
187	L	91.4	Very high	89.4	Confident	49 Å²	49	54.4 Å²	54.4	26%	0.257	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-35	168.8	-64.7	177.5	0	0	0	110.9	I135 V175 F177 P243	I135-L187 HydrophobicContact CD1-CD1 4.11Å; I135-L187 HydrophobicContact CG2-CD1 3.69Å; V175-L187 HydrophobicContact CG1-CB 4.26Å; V175-L187 PolarHBondContact O-N 3.47Å; F177-L187 HydrophobicContact CD2-CD1 4.36Å; F177-L187 HydrophobicContact CD2-CG 4.39Å; F177-L187 HydrophobicContact CE2-CD1 3.74Å; F177-L187 HydrophobicContact CE2-CD2 4.04Å; F177-L187 HydrophobicContact CE2-CG 4.08Å; F177-L187 HydrophobicContact CZ-CD1 4.08Å; L187-P243 WeakPolarHBondContact O-CA 3.33Å
188	G	92.6	Very high	88.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	155.6	173.6	0	0	0	0	0	112.9	V175 Y241	V175-G188 PolarHBondContact N-O 2.9Å; V175-G188 PolarHBondContact O-N 2.88Å; G188-Y241 CarbonylContact C-O 3.5Å; G188-Y241 WeakPolarHBondContact CA-O 3.36Å
189	A	94.7	Very high	88.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.5	171.1	0	0	0	0	0	112	F111 S173 M186 L239 Y241	F111-A189 HydrophobicContact CE1-CB 3.56Å; F111-A189 HydrophobicContact CE2-CB 4.48Å; F111-A189 HydrophobicContact CZ-CB 3.44Å; F111-A189 VanDerWaalsContact CZ-CB 3.44Å; S173-A189 CarbonylContact O-C 3.58Å; S173-A189 VanDerWaalsContact O-CA 3.26Å; S173-A189 WeakPolarHBondContact O-CA 3.33Å; M186-A189 HydrophobicContact CG-CB 4.4Å; M186-A189 HydrophobicContact SD-CB 3.44Å; M186-A189 WeakPolarHBondContact SD-CB 3.27Å; A189-L239 HydrophobicContact CB-CD2 3.65Å; A189-L239 HydrophobicContact CB-CG 4.3Å; A189-Y241 PolarHBondContact N-O 2.8Å; A189-Y241 CarbonylContact O-C 3.51Å; A189-Y241 WeakPolarHBondContact O-CA 3.47Å; A189-Y241 PolarHBondContact O-N 3.12Å; A189-Y241 VanDerWaalsContact O-O 3.08Å
190	V	93.4	Very high	87.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.6	171.3	65.5	0	0	0	0	110.3	C172 S173 Y192 L224 L226 F237 L239 Y240	C172-V190 CarbonylContact C-O 3.08Å; C172-V190 WeakPolarHBondContact CA-O 3.49Å; S173-V190 PolarHBondContact N-O 2.88Å; S173-V190 PolarHBondContact O-N 3.28Å; V190-Y192 HydrophobicContact CG1-CE1 4.39Å; V190-Y192 HydrophobicContact CG2-CD1 4.03Å; V190-Y192 HydrophobicContact CG2-CE1 4.5Å; V190-L224 HydrophobicContact CB-CD1 4.15Å; V190-L224 HydrophobicContact CG1-CB 3.93Å; V190-L224 HydrophobicContact CG1-CD1 3.97Å; V190-L224 HydrophobicContact CG1-CG 4.5Å; V190-L226 HydrophobicContact CB-CD2 4.33Å; V190-L226 HydrophobicContact CG1-CD2 3.93Å; V190-L226 HydrophobicContact CG2-CD2 3.75Å; V190-F237 HydrophobicContact CG2-CD1 3.32Å; V190-F237 HydrophobicContact CG2-CE1 3.25Å; V190-F237 HydrophobicContact CG2-CZ 4.48Å; V190-L239 CarbonylContact C-O 3.58Å; V190-L239 VanDerWaalsContact CA-O 3.27Å; V190-L239 WeakPolarHBondContact CA-O 3.17Å; V190-L239 WeakPolarHBondContact CG2-O 2.99Å; V190-Y240 HydrophobicContact CB-CD2 4.34Å; V190-Y240 HydrophobicContact CG2-CD2 3.68Å; V190-Y240 HydrophobicContact CG2-CE2 4.33Å
191	C	93.8	Very high	86.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.9	174.7	-67.3	0	0	0	0	110.6	F116 V170 Y171 C172 I238 L239	F116-C191 HydrophobicContact CZ-CB 4.2Å; V170-C191 HydrophobicContact CG1-CB 4.19Å; Y171-C191 VanDerWaalsContact O-CA 3.3Å; Y171-C191 WeakPolarHBondContact O-CA 3.32Å; C172-C191 HydrophobicContact CB-CB 4.22Å; C172-C191 WeakPolarHBondContact CB-SG 3.4Å; C172-C191 WeakPolarHBondContact SG-CB 3.28Å; C172-C191 CovalentContact SG-SG 2.05Å; C172-C191 PolarHBondContact SG-SG 2.91Å; C191-I238 HydrophobicContact CB-CB 4.08Å; C191-I238 HydrophobicContact CB-CG2 4.41Å; C191-I238 PolarHBondContact O-N 3.28Å; C191-L239 HydrophobicContact CB-CB 4Å; C191-L239 PolarHBondContact N-O 3.42Å; C191-L239 PolarHBondContact O-N 3.39Å
192	Y	90.4	Very high	86	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.6	-179.3	50.7	-94.9	0	0	0	111.5	V170 Y171 V190 L194 L226 P227 V230 F237	V170-Y192 CarbonylContact C-O 3.56Å; V170-Y192 WeakPolarHBondContact CA-O 3.16Å; Y171-Y192 HydrophobicContact CD2-CE2 4.39Å; Y171-Y192 HydrophobicContact CG-CE2 4.31Å; Y171-Y192 PolarHBondContact N-O 3.3Å; Y171-Y192 PolarHBondContact O-N 3.46Å; V190-Y192 HydrophobicContact CG1-CE1 4.39Å; V190-Y192 HydrophobicContact CG2-CD1 4.03Å; V190-Y192 HydrophobicContact CG2-CE1 4.5Å; Y192-L194 HydrophobicContact CD2-CD1 3.92Å; Y192-L194 HydrophobicContact CD2-CG 3.85Å; Y192-L194 HydrophobicContact CE2-CD1 3.63Å; Y192-L194 HydrophobicContact CE2-CG 4.09Å; Y192-L226 HydrophobicContact CE1-CD2 4.31Å; Y192-P227 HydrophobicContact CD2-CG 4.2Å; Y192-P227 HydrophobicContact CE1-CG 4.33Å; Y192-P227 HydrophobicContact CE2-CG 3.42Å; Y192-P227 VanDerWaalsContact CE2-CG 3.42Å; Y192-P227 VanDerWaalsContact OH-CD 3.24Å; Y192-P227 WeakPolarHBondContact OH-CD 3.14Å; Y192-V230 HydrophobicContact CD1-CG2 4.18Å; Y192-V230 HydrophobicContact CD2-CG1 4.23Å; Y192-V230 HydrophobicContact CD2-CG2 4.24Å; Y192-V230 HydrophobicContact CG-CG1 4.34Å; Y192-V230 HydrophobicContact CG-CG2 4.01Å; Y192-F237 HydrophobicContact CD1-CD1 4.24Å; Y192-F237 AromaticContact CD1-CE1 3.67Å; Y192-F237 HydrophobicContact CD1-CE1 3.67Å; Y192-F237 HydrophobicContact CG-CE1 4.11Å
193	A	88.9	Confident	85.3	Confident	49 Å²	49	49.1 Å²	49.1	41%	0.405	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.7	174.2	0	0	0	0	0	110.3	T168 N169 V170	T168-A193 HydrophobicContact CG2-CB 4.17Å; N169-A193 WeakPolarHBondContact O-CA 3.44Å; V170-A193 HydrophobicContact CG2-CB 4.22Å
194	L	82.2	Confident	84.6	Confident	18 Å²	18	49.3 Å²	49.3	9%	0.094	26%	0.264	C	S	.	.			trans	-137.5	157.7	171.9	-80.1	-179.8	0	0	0	110.5	N169 Y171 Y192 P227 Q229 V230	N169-L194 PolarHBondContact O-N 2.93Å; Y171-L194 HydrophobicContact CD2-CB 4.11Å; Y171-L194 HydrophobicContact CE2-CB 4.1Å; Y192-L194 HydrophobicContact CD2-CD1 3.92Å; Y192-L194 HydrophobicContact CD2-CG 3.85Å; Y192-L194 HydrophobicContact CE2-CD1 3.63Å; Y192-L194 HydrophobicContact CE2-CG 4.09Å; L194-P227 HydrophobicContact CD1-CB 4.16Å; L194-P227 HydrophobicContact CD1-CG 3.62Å; L194-Q229 HydrophobicContact CD2-CB 3.71Å; L194-Q229 HydrophobicContact CD2-CG 4.12Å; L194-V230 HydrophobicContact CD2-CG1 3.81Å; L194-V230 HydrophobicContact CG-CG1 4.27Å
195	P	79.2	Confident	84	Confident	109 Å²	109	43.6 Å²	43.6	71%	0.708	24%	0.239	S	C	*	.	S	Bend	trans	-50.8	151.5	159.4	-21.9	33.8	0	0	0	110.2	I197	P195-I197 PolarHBondContact O-N 3.33Å; P195-I197 VanDerWaalsContact O-N 3.11Å
196	E	77.7	Confident	83.6	Confident	136 Å²	136	41.8 Å²	41.8	64%	0.636	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-53.2	122.1	177.9	-171.6	147.7	-146	0	0	111.2	K146 N169	K146-E196 IonicContact NZ-OE1 3.37Å; K146-E196 PolarHBondContact NZ-OE1 3.11Å; N169-E196 WeakPolarHBondContact ND2-CA 3.37Å; N169-E196 VanDerWaalsContact ND2-CB 3.26Å; N169-E196 WeakPolarHBondContact ND2-CB 3.5Å
197	I	75.5	Confident	83.1	Confident	16 Å²	16	46.9 Å²	46.9	8%	0.082	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-69.5	141	171.4	-61.3	177.5	0	0	0	107.8	Y171 P195 D201 E202 F450	Y171-I197 HydrophobicContact CD1-CD1 3.93Å; Y171-I197 HydrophobicContact CD2-CD1 4.17Å; Y171-I197 HydrophobicContact CE1-CB 4.41Å; Y171-I197 HydrophobicContact CE1-CD1 3.51Å; Y171-I197 HydrophobicContact CE1-CG1 4.07Å; Y171-I197 HydrophobicContact CE2-CD1 3.78Å; Y171-I197 HydrophobicContact CE2-CG1 3.88Å; Y171-I197 HydrophobicContact CG-CD1 4.25Å; Y171-I197 VanDerWaalsContact CZ-CD1 3.43Å; Y171-I197 WeakPolarHBondContact OH-CB 3.2Å; Y171-I197 WeakPolarHBondContact OH-CG1 3.24Å; Y171-I197 PolarHBondContact OH-N 2.9Å; Y171-I197 VanDerWaalsContact OH-N 3.08Å; P195-I197 PolarHBondContact O-N 3.33Å; P195-I197 VanDerWaalsContact O-N 3.11Å; I197-D201 HydrophobicContact CG2-CB 3.4Å; I197-E202 HydrophobicContact CB-CG 4.09Å; I197-E202 HydrophobicContact CG2-CG 3.86Å; I197-F450 HydrophobicContact CD1-CE1 3.65Å; I197-F450 HydrophobicContact CD1-CZ 3.55Å; I197-F450 HydrophobicContact CG1-CE1 4.32Å; I197-F450 HydrophobicContact CG2-CD1 4.4Å; I197-F450 HydrophobicContact CG2-CE1 3.63Å; I197-F450 HydrophobicContact CG2-CZ 4.47Å
198	S	78.8	Confident	82.4	Confident	34 Å²	34	46.1 Å²	46.1	24%	0.238	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-63.9	151.3	-178.5	92.9	0	0	0	0	111	E200 D201 E202	S198-E200 VanDerWaalsContact CB-OE2 3.28Å; S198-E200 WeakPolarHBondContact CB-OE2 3.48Å; S198-E200 PolarHBondContact O-N 2.81Å; S198-E200 VanDerWaalsContact O-N 3.16Å; S198-E200 PolarHBondContact OG-N 3.28Å; S198-E200 PolarHBondContact OG-OE2 2.71Å; S198-D201 PolarHBondContact O-N 3.02Å; S198-D201 VanDerWaalsContact O-N 3.11Å; S198-D201 PolarHBondContact OG-N 2.59Å; S198-E202 PolarHBondContact O-N 2.87Å
199	P	81.2	Confident	82	Confident	94 Å²	94	48.4 Å²	48.4	61%	0.61	27%	0.27	S	S	*	.	H	α-helix	trans	-54.9	-32.7	176.8	-26.7	35.6	0	0	0	113.6	M203	P199-M203 WeakPolarHBondContact O-CB 3.47Å; P199-M203 PolarHBondContact O-N 3.45Å
200	E	76.9	Confident	81.6	Confident	105 Å²	105	48.4 Å²	48.4	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-67.6	-45.8	177	-58.6	73	-157.9	0	0	111.8	S198 E202 M203 I204	S198-E200 VanDerWaalsContact CB-OE2 3.28Å; S198-E200 WeakPolarHBondContact CB-OE2 3.48Å; S198-E200 PolarHBondContact O-N 2.81Å; S198-E200 VanDerWaalsContact O-N 3.16Å; S198-E200 PolarHBondContact OG-N 3.28Å; S198-E200 PolarHBondContact OG-OE2 2.71Å; E200-E202 VanDerWaalsContact C-N 3.34Å; E200-M203 WeakPolarHBondContact O-CB 3.25Å; E200-M203 PolarHBondContact O-N 3.48Å; E200-M203 VanDerWaalsContact O-N 3.16Å; E200-I204 WeakPolarHBondContact O-CG1 3.33Å; E200-I204 PolarHBondContact O-N 3.24Å
201	D	74.2	Confident	81.3	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.064	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-38	177.5	-75.6	-14.4	0	0	0	110.8	I197 S198 M203 I204 L205 F450 S453	I197-D201 HydrophobicContact CG2-CB 3.4Å; S198-D201 PolarHBondContact O-N 3.02Å; S198-D201 VanDerWaalsContact O-N 3.11Å; S198-D201 PolarHBondContact OG-N 2.59Å; D201-M203 VanDerWaalsContact C-N 3.32Å; D201-M203 PolarHBondContact O-N 2.77Å; D201-I204 PolarHBondContact O-N 3.44Å; D201-L205 WeakPolarHBondContact O-CB 3.2Å; D201-L205 PolarHBondContact O-N 3.43Å; D201-F450 HydrophobicContact CB-CD1 4.33Å; D201-F450 HydrophobicContact CB-CE1 4.21Å; D201-S453 VanDerWaalsContact OD2-CB 3.27Å; D201-S453 WeakPolarHBondContact OD2-CB 3.26Å; D201-S453 PolarHBondContact OD2-OG 2.71Å
202	E	79.9	Confident	80.7	Confident	12 Å²	12	52.6 Å²	52.6	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-35.2	171.7	-71.3	-171.9	175.1	0	0	112.1	K126 I128 K146 Y171 I197 S198 E200 L205 A206	K126-E202 WeakPolarHBondContact CE-OE2 3.24Å; K126-E202 IonicContact NZ-OE2 3.37Å; K126-E202 PolarHBondContact NZ-OE2 3.41Å; I128-E202 HydrophobicContact CD1-CG 4.5Å; K146-E202 WeakPolarHBondContact CD-OE1 3.41Å; K146-E202 IonicContact NZ-OE1 3.12Å; K146-E202 PolarHBondContact NZ-OE1 3.43Å; Y171-E202 PolarHBondContact OH-OE1 2.82Å; I197-E202 HydrophobicContact CB-CG 4.09Å; I197-E202 HydrophobicContact CG2-CG 3.86Å; S198-E202 PolarHBondContact O-N 2.87Å; E200-E202 VanDerWaalsContact C-N 3.34Å; E202-L205 WeakPolarHBondContact O-CB 3.37Å; E202-A206 WeakPolarHBondContact O-CB 3.39Å; E202-A206 PolarHBondContact O-N 2.88Å
203	M	78.3	Confident	80.2	Confident	106 Å²	106	55.4 Å²	55.4	52%	0.522	31%	0.306	S	S	.	.	H	α-helix	trans	-69.9	-39.9	175.5	-175.8	-176.1	68.7	0	0	112.1	P199 E200 D201 L205 A206 Q207	P199-M203 WeakPolarHBondContact O-CB 3.47Å; P199-M203 PolarHBondContact O-N 3.45Å; E200-M203 WeakPolarHBondContact O-CB 3.25Å; E200-M203 PolarHBondContact O-N 3.48Å; E200-M203 VanDerWaalsContact O-N 3.16Å; D201-M203 VanDerWaalsContact C-N 3.32Å; D201-M203 PolarHBondContact O-N 2.77Å; M203-L205 VanDerWaalsContact C-N 3.34Å; M203-A206 WeakPolarHBondContact O-CB 3.39Å; M203-A206 PolarHBondContact O-N 2.84Å; M203-Q207 WeakPolarHBondContact O-CG 3.4Å; M203-Q207 PolarHBondContact O-N 2.9Å
204	I	74.6	Confident	80.1	Confident	65 Å²	65	53.2 Å²	53.2	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-48.5	173.9	-69.8	166	0	0	0	109.4	E200 D201 A206 Q207 L208	E200-I204 WeakPolarHBondContact O-CG1 3.33Å; E200-I204 PolarHBondContact O-N 3.24Å; D201-I204 PolarHBondContact O-N 3.44Å; I204-A206 VanDerWaalsContact C-N 3.28Å; I204-A206 PolarHBondContact O-N 2.83Å; I204-Q207 PolarHBondContact O-N 2.97Å; I204-Q207 VanDerWaalsContact O-N 3.08Å; I204-L208 PolarHBondContact O-N 2.68Å
205	L	77.5	Confident	80.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-53.9	-44	173.3	-96.9	-175.9	0	0	0	113	I128 D201 E202 M203 Q207 L208 Y449 F450	I128-L205 HydrophobicContact CG2-CB 3.76Å; I128-L205 HydrophobicContact CG2-CD1 4.12Å; D201-L205 WeakPolarHBondContact O-CB 3.2Å; D201-L205 PolarHBondContact O-N 3.43Å; E202-L205 WeakPolarHBondContact O-CB 3.37Å; M203-L205 VanDerWaalsContact C-N 3.34Å; L205-Q207 PolarHBondContact O-N 2.89Å; L205-L208 HydrophobicContact CD2-CD1 3.65Å; L205-L208 PolarHBondContact O-N 2.89Å; L205-Y449 HydrophobicContact CD1-CE2 4.46Å; L205-Y449 HydrophobicContact CD2-CD2 3.9Å; L205-Y449 HydrophobicContact CD2-CE2 3.09Å; L205-Y449 HydrophobicContact CG-CD2 4.2Å; L205-Y449 HydrophobicContact CG-CE2 3.7Å; L205-F450 HydrophobicContact CD1-CE1 3.93Å; L205-F450 HydrophobicContact CD1-CE2 4.08Å; L205-F450 HydrophobicContact CD1-CZ 3.26Å; L205-F450 HydrophobicContact CD2-CZ 4.38Å; L205-F450 HydrophobicContact CG-CE1 4.3Å; L205-F450 HydrophobicContact CG-CE2 4.43Å; L205-F450 HydrophobicContact CG-CZ 3.83Å
206	A	82.7	Confident	80.5	Confident	49 Å²	49	49.4 Å²	49.4	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-23.1	179.6	0	0	0	0	0	113.8	I128 E202 M203 I204	I128-A206 WeakPolarHBondContact O-CB 3.21Å; E202-A206 WeakPolarHBondContact O-CB 3.39Å; E202-A206 PolarHBondContact O-N 2.88Å; M203-A206 WeakPolarHBondContact O-CB 3.39Å; M203-A206 PolarHBondContact O-N 2.84Å; I204-A206 VanDerWaalsContact C-N 3.28Å; I204-A206 PolarHBondContact O-N 2.83Å
207	Q	80.6	Confident	80.5	Confident	130 Å²	130	44.1 Å²	44.1	61%	0.607	24%	0.24	S	C	*	.	H	α-helix	trans	-94.1	-12.9	-178.6	-68.8	176.2	1.4	0	0	113.6	M203 I204 L205	M203-Q207 WeakPolarHBondContact O-CG 3.4Å; M203-Q207 PolarHBondContact O-N 2.9Å; I204-Q207 PolarHBondContact O-N 2.97Å; I204-Q207 VanDerWaalsContact O-N 3.08Å; L205-Q207 PolarHBondContact O-N 2.89Å
208	L	77.9	Confident	80.4	Confident	32 Å²	32	48 Å²	48	17%	0.168	26%	0.261	C	S	.	.	S	Bend	trans	-60.4	139.9	-178.2	-67.4	178.6	0	0	0	112.1	I204 L205 L210 E213 Y449	I204-L208 PolarHBondContact O-N 2.68Å; L205-L208 HydrophobicContact CD2-CD1 3.65Å; L205-L208 PolarHBondContact O-N 2.89Å; L208-L210 HydrophobicContact CB-CD2 4.5Å; L208-L210 PolarHBondContact O-N 2.84Å; L208-E213 HydrophobicContact CD2-CG 4.39Å; L208-Y449 HydrophobicContact CD1-CD1 3.87Å; L208-Y449 HydrophobicContact CD1-CD2 4.28Å; L208-Y449 HydrophobicContact CD1-CE1 3.75Å; L208-Y449 HydrophobicContact CD1-CE2 4.18Å; L208-Y449 HydrophobicContact CD1-CG 4.14Å
209	D	83.1	Confident	80.5	Confident	48 Å²	48	49 Å²	49	26%	0.257	27%	0.266	S	S	.	.			trans	-79.8	90.7	163.1	-174.2	-12.9	0	0	0	109.2	C211 H212 E213	D209-C211 PolarHBondContact O-N 2.78Å; D209-C211 PolarHBondContact OD1-N 2.99Å; D209-H212 HydrophobicContact CB-CB 4.21Å; D209-H212 PolarHBondContact O-N 2.91Å; D209-H212 VanDerWaalsContact O-N 3.14Å; D209-H212 PolarHBondContact OD1-N 2.83Å; D209-E213 WeakPolarHBondContact O-CB 3.37Å; D209-E213 WeakPolarHBondContact O-CG 3.2Å; D209-E213 PolarHBondContact O-N 3.13Å
210	L	86.2	Confident	80.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.4	-34.7	179.4	-63.4	-178.1	0	0	0	112.7	V129 A131 I142 L208 H212 W214	V129-L210 HydrophobicContact CB-CD1 4.33Å; V129-L210 HydrophobicContact CG1-CD1 3.9Å; V129-L210 HydrophobicContact CG1-CD2 3.87Å; V129-L210 HydrophobicContact CG1-CG 4.19Å; V129-L210 HydrophobicContact CG2-CD1 3.82Å; V129-L210 HydrophobicContact CG2-CD2 4.31Å; V129-L210 HydrophobicContact CG2-CG 3.86Å; A131-L210 HydrophobicContact CB-CB 4.11Å; A131-L210 HydrophobicContact CB-CD1 4.28Å; I142-L210 HydrophobicContact CB-CB 4.48Å; I142-L210 HydrophobicContact CB-CD1 4.09Å; I142-L210 HydrophobicContact CD1-CB 4.44Å; I142-L210 HydrophobicContact CG2-CB 4.45Å; I142-L210 HydrophobicContact CG2-CD1 3.86Å; L208-L210 HydrophobicContact CB-CD2 4.5Å; L208-L210 PolarHBondContact O-N 2.84Å; L210-H212 PolarHBondContact O-N 3.33Å; L210-W214 HydrophobicContact CD2-CD2 4.26Å; L210-W214 HydrophobicContact CD2-CZ2 3.93Å; L210-W214 VanDerWaalsContact O-CB 3.29Å; L210-W214 WeakPolarHBondContact O-CB 3.34Å; L210-W214 PolarHBondContact O-N 2.8Å; L210-W214 VanDerWaalsContact O-N 3.1Å
211	C	88.1	Confident	80.9	Confident	28 Å²	28	44.5 Å²	44.5	19%	0.189	24%	0.238	C	C	.	.	H	α-helix	trans	-72	-22.8	-175.5	-56.5	0	0	0	0	112.6	K132 C133 D209 Y222	K132-C211 PolarHBondContact O-SG 2.65Å; C133-C211 WeakPolarHBondContact CA-SG 3.36Å; C133-C211 HydrophobicContact CB-CB 3.87Å; C133-C211 WeakPolarHBondContact CB-SG 3.27Å; C133-C211 WeakPolarHBondContact SG-CA 3.48Å; C133-C211 WeakPolarHBondContact SG-CB 3.28Å; C133-C211 CovalentContact SG-SG 2.04Å; C133-C211 PolarHBondContact SG-SG 3.2Å; D209-C211 PolarHBondContact O-N 2.78Å; D209-C211 PolarHBondContact OD1-N 2.99Å; C211-Y222 VanDerWaalsContact O-CE1 3.26Å; C211-Y222 WeakPolarHBondContact O-CE1 3.4Å; C211-Y222 PolarHBondContact O-OH 3.18Å
212	H	81.4	Confident	81.6	Confident	61 Å²	61	44.5 Å²	44.5	28%	0.282	24%	0.237	S	C	.	.	H	α-helix	trans	-92	-55.6	173.2	-178.7	69.6	0	0	0	111.1	D209 L210 W214 N215	D209-H212 HydrophobicContact CB-CB 4.21Å; D209-H212 PolarHBondContact O-N 2.91Å; D209-H212 VanDerWaalsContact O-N 3.14Å; D209-H212 PolarHBondContact OD1-N 2.83Å; L210-H212 PolarHBondContact O-N 3.33Å; H212-W214 VanDerWaalsContact C-N 3.26Å; H212-W214 PolarHBondContact O-N 3.31Å; H212-N215 VanDerWaalsContact O-CB 3.27Å; H212-N215 WeakPolarHBondContact O-CB 3.46Å; H212-N215 PolarHBondContact O-N 3.41Å; H212-N215 VanDerWaalsContact O-N 3.09Å
213	E	78.9	Confident	82.1	Confident	60 Å²	60	45.6 Å²	45.6	28%	0.28	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-29.3	-171.2	-66.3	-64.2	140.5	0	0	113.1	H85 L208 D209	H85-E213 IonicContact CE1-OE1 3Å; H85-E213 PolarHBondContact CE1-OE1 2.94Å; H85-E213 IonicContact CE1-OE2 3.3Å; H85-E213 IonicContact ND1-OE1 2.72Å; H85-E213 PolarHBondContact ND1-OE1 3.41Å; L208-E213 HydrophobicContact CD2-CG 4.39Å; D209-E213 WeakPolarHBondContact O-CB 3.37Å; D209-E213 WeakPolarHBondContact O-CG 3.2Å; D209-E213 PolarHBondContact O-N 3.13Å
214	W	86.5	Confident	82.7	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.011	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	0.9	-179.3	-66	24.4	0	0	0	112.3	I142 H144 S173 L210 H212 Y216 Y222 R223 L224 V225	I142-W214 HydrophobicContact CG2-CD2 4.38Å; I142-W214 HydrophobicContact CG2-CE3 3.54Å; I142-W214 HydrophobicContact CG2-CH2 4.25Å; I142-W214 HydrophobicContact CG2-CZ3 3.45Å; I142-W214 VanDerWaalsContact CG2-CZ3 3.45Å; H144-W214 HydrophobicContact CB-CH2 4.44Å; S173-W214 WeakPolarHBondContact OG-CH2 3.37Å; L210-W214 HydrophobicContact CD2-CD2 4.26Å; L210-W214 HydrophobicContact CD2-CZ2 3.93Å; L210-W214 VanDerWaalsContact O-CB 3.29Å; L210-W214 WeakPolarHBondContact O-CB 3.34Å; L210-W214 PolarHBondContact O-N 2.8Å; L210-W214 VanDerWaalsContact O-N 3.1Å; H212-W214 VanDerWaalsContact C-N 3.26Å; H212-W214 PolarHBondContact O-N 3.31Å; W214-Y216 PolarHBondContact O-N 3.02Å; W214-Y222 HydrophobicContact CB-CD1 4.06Å; W214-Y222 CarbonylContact O-C 3.59Å; W214-Y222 VanDerWaalsContact O-CA 3.3Å; W214-Y222 WeakPolarHBondContact O-CA 3.39Å; W214-Y222 WeakPolarHBondContact O-CD1 3.46Å; W214-R223 WeakPolarHBondContact CB-O 3.45Å; W214-R223 PolarHBondContact O-N 3.28Å; W214-L224 HydrophobicContact CE3-CD2 4.2Å; W214-L224 HydrophobicContact CZ3-CD2 3.73Å; W214-V225 VanDerWaalsContact CD1-CG2 3.41Å; W214-V225 HydrophobicContact CD2-CB 4.45Å; W214-V225 HydrophobicContact CD2-CG2 3.96Å; W214-V225 HydrophobicContact CG-CG2 3.8Å; W214-V225 HydrophobicContact CZ2-CB 4.17Å; W214-V225 HydrophobicContact CZ2-CG2 4.48Å
215	N	85.6	Confident	83	Confident	44 Å²	44	38.6 Å²	38.6	24%	0.235	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.2	178.8	-165.6	-71.1	0	0	0	109.9	H212 A217 N218 Y222	H212-N215 VanDerWaalsContact O-CB 3.27Å; H212-N215 WeakPolarHBondContact O-CB 3.46Å; H212-N215 PolarHBondContact O-N 3.41Å; H212-N215 VanDerWaalsContact O-N 3.09Å; N215-A217 PolarHBondContact O-N 3.22Å; N215-N218 WeakPolarHBondContact OD1-CA 3.18Å; N215-N218 PolarHBondContact OD1-N 2.72Å; N215-Y222 HydrophobicContact CB-CE1 4.2Å
216	Y	84.9	Confident	83.3	Confident	2 Å²	2	39 Å²	39	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111.9	178.1	178.8	-102.4	0	0	0	109.9	W214 N218 T219 Y221 T245 I273 G277 I278 D378 T380	W214-Y216 PolarHBondContact O-N 3.02Å; Y216-N218 PolarHBondContact O-N 3.41Å; Y216-T219 HydrophobicContact CD1-CG2 4.33Å; Y216-T219 WeakPolarHBondContact O-CB 3.4Å; Y216-T219 PolarHBondContact O-N 3.18Å; Y216-T219 PolarHBondContact O-OG1 3.16Å; Y216-Y221 PolarHBondContact N-O 3.08Å; Y216-T245 HydrophobicContact CD1-CG2 3.94Å; Y216-T245 HydrophobicContact CE1-CG2 3.84Å; Y216-I273 HydrophobicContact CD1-CD1 3.88Å; Y216-I273 HydrophobicContact CD2-CD1 3.83Å; Y216-I273 HydrophobicContact CD2-CG2 4.07Å; Y216-I273 HydrophobicContact CE2-CD1 4.44Å; Y216-I273 HydrophobicContact CE2-CG2 4.1Å; Y216-I273 HydrophobicContact CG-CD1 3.52Å; Y216-G277 WeakPolarHBondContact OH-CA 3.44Å; Y216-I278 HydrophobicContact CE1-CG2 4.14Å; Y216-I278 PolarHBondContact OH-N 3.07Å; Y216-D378 HydrophobicContact CE2-CB 4.08Å; Y216-D378 WeakPolarHBondContact CE2-O 3.25Å; Y216-D378 PolarHBondContact OH-O 2.71Å; Y216-T380 HydrophobicContact CE2-CG2 4.17Å; Y216-T380 WeakPolarHBondContact OH-CG2 3.24Å
217	A	77.2	Confident	83.1	Confident	25 Å²	25	36.8 Å²	36.8	21%	0.207	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	27.3	171.2	0	0	0	0	0	116.1	N215 T219 I278 D378	N215-A217 PolarHBondContact O-N 3.22Å; A217-T219 HydrophobicContact CB-CG2 4.07Å; A217-T219 PolarHBondContact O-N 3.39Å; A217-I278 HydrophobicContact CB-CD1 3.91Å; A217-I278 HydrophobicContact CB-CG1 4.3Å; A217-I278 HydrophobicContact CB-CG2 3.54Å; A217-D378 HydrophobicContact CB-CB 4.38Å
218	N	74.5	Confident	82.8	Confident	98 Å²	98	34.8 Å²	34.8	52%	0.524	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	23.9	-173.8	-61.6	-68.2	0	0	0	115.2	N215 Y216 K312	N215-N218 WeakPolarHBondContact OD1-CA 3.18Å; N215-N218 PolarHBondContact OD1-N 2.72Å; Y216-N218 PolarHBondContact O-N 3.41Å; N218-K312 PolarHBondContact ND2-NZ 3.2Å
219	T	79.7	Confident	82.9	Confident	55 Å²	55	36 Å²	36	34%	0.337	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.1	-177.5	58.8	0	0	0	0	113.6	Y216 A217 Y221 I278	Y216-T219 HydrophobicContact CD1-CG2 4.33Å; Y216-T219 WeakPolarHBondContact O-CB 3.4Å; Y216-T219 PolarHBondContact O-N 3.18Å; Y216-T219 PolarHBondContact O-OG1 3.16Å; A217-T219 HydrophobicContact CB-CG2 4.07Å; A217-T219 PolarHBondContact O-N 3.39Å; T219-Y221 VanDerWaalsContact OG1-CD2 3.28Å; T219-Y221 WeakPolarHBondContact OG1-CD2 3.26Å; T219-Y221 PolarHBondContact OG1-N 3.41Å; T219-I278 HydrophobicContact CG2-CG2 3.67Å
220	G	81.1	Confident	82.9	Confident	16 Å²	16	34.2 Å²	34.2	17%	0.165	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-3.8	-171	0	0	0	0	0	113.9	S136	S136-G220 PolarHBondContact N-O 2.76Å
221	Y	86.1	Confident	82.9	Confident	88 Å²	88	35.3 Å²	35.3	35%	0.345	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	158.1	165.2	-61	-69	0	0	0	110.9	Y216 T219 T245	Y216-Y221 PolarHBondContact N-O 3.08Å; T219-Y221 VanDerWaalsContact OG1-CD2 3.28Å; T219-Y221 WeakPolarHBondContact OG1-CD2 3.26Å; T219-Y221 PolarHBondContact OG1-N 3.41Å; Y221-T245 HydrophobicContact CD2-CG2 4.23Å; Y221-T245 HydrophobicContact CG-CG2 4.37Å
222	Y	89.6	Confident	82.9	Confident	12 Å²	12	36.3 Å²	36.3	5%	0.047	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.1	-178	-74.7	-81.9	0	0	0	110.9	C133 N134 I135 I142 C211 W214 N215 P243	C133-Y222 HydrophobicContact CB-CE1 4.4Å; C133-Y222 HydrophobicContact CB-CE2 4.07Å; N134-Y222 WeakPolarHBondContact O-CE2 3.43Å; N134-Y222 PolarHBondContact O-OH 2.78Å; I135-Y222 HydrophobicContact CB-CE2 4.42Å; I135-Y222 HydrophobicContact CD1-CD2 4.28Å; I135-Y222 HydrophobicContact CG1-CD2 3.86Å; I135-Y222 HydrophobicContact CG1-CE2 3.76Å; I135-Y222 HydrophobicContact CG2-CD2 4.41Å; I142-Y222 HydrophobicContact CD1-CD1 3.37Å; I142-Y222 HydrophobicContact CD1-CD2 4.39Å; I142-Y222 HydrophobicContact CD1-CE1 3.77Å; I142-Y222 HydrophobicContact CD1-CG 3.71Å; C211-Y222 VanDerWaalsContact O-CE1 3.26Å; C211-Y222 WeakPolarHBondContact O-CE1 3.4Å; C211-Y222 PolarHBondContact O-OH 3.18Å; W214-Y222 HydrophobicContact CB-CD1 4.06Å; W214-Y222 CarbonylContact O-C 3.59Å; W214-Y222 VanDerWaalsContact O-CA 3.3Å; W214-Y222 WeakPolarHBondContact O-CA 3.39Å; W214-Y222 WeakPolarHBondContact O-CD1 3.46Å; N215-Y222 HydrophobicContact CB-CE1 4.2Å; Y222-P243 WeakPolarHBondContact O-CG 3.21Å
223	R	90.2	Very high	83.2	Confident	36 Å²	36	37 Å²	37	14%	0.136	19%	0.186	C	C	.	.			trans	-90.5	134.6	174.2	179.1	-164.5	-65.3	-84.5	4.5	109.4	W214 V225 T271 I273 P377 E379	W214-R223 WeakPolarHBondContact CB-O 3.45Å; W214-R223 PolarHBondContact O-N 3.28Å; R223-V225 PolarHBondContact O-N 2.86Å; R223-T271 VanDerWaalsContact CD-O 3.22Å; R223-T271 WeakPolarHBondContact CD-O 3.42Å; R223-T271 WeakPolarHBondContact CG-O 3.39Å; R223-T271 PolarHBondContact NH1-O 2.55Å; R223-T271 PolarHBondContact NH1-OG1 2.89Å; R223-I273 HydrophobicContact CB-CB 4.25Å; R223-I273 HydrophobicContact CB-CG2 4.44Å; R223-I273 HydrophobicContact CG-CB 4.19Å; R223-I273 HydrophobicContact CG-CG2 4.18Å; R223-P377 PolarHBondContact NH2-O 3.23Å; R223-E379 PolarHBondContact NH1-O 2.69Å; R223-E379 PolarHBondContact NH2-O 2.78Å
224	L	90.5	Very high	83.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.			trans	-79.4	107.9	170.3	-63.4	177.1	0	0	0	109.3	V175 V190 W214 L226 P243 G272	V175-L224 HydrophobicContact CB-CD2 4.26Å; V175-L224 HydrophobicContact CG1-CD2 3.89Å; V175-L224 HydrophobicContact CG1-CG 4.41Å; V190-L224 HydrophobicContact CB-CD1 4.15Å; V190-L224 HydrophobicContact CG1-CB 3.93Å; V190-L224 HydrophobicContact CG1-CD1 3.97Å; V190-L224 HydrophobicContact CG1-CG 4.5Å; W214-L224 HydrophobicContact CE3-CD2 4.2Å; W214-L224 HydrophobicContact CZ3-CD2 3.73Å; L224-L226 PolarHBondContact O-N 3.45Å; L224-P243 HydrophobicContact CD1-CG 4.39Å; L224-P243 HydrophobicContact CG-CG 4.15Å; L224-G272 PolarHBondContact N-O 2.89Å; L224-G272 WeakPolarHBondContact O-CA 3.16Å
225	V	81.7	Confident	83.7	Confident	23 Å²	23	42.8 Å²	42.8	14%	0.139	22%	0.215	C	C	.	.			trans	-65.3	130.7	-177.3	177.6	0	0	0	0	111	W214 R223 Y449	W214-V225 VanDerWaalsContact CD1-CG2 3.41Å; W214-V225 HydrophobicContact CD2-CB 4.45Å; W214-V225 HydrophobicContact CD2-CG2 3.96Å; W214-V225 HydrophobicContact CG-CG2 3.8Å; W214-V225 HydrophobicContact CZ2-CB 4.17Å; W214-V225 HydrophobicContact CZ2-CG2 4.48Å; R223-V225 PolarHBondContact O-N 2.86Å; V225-Y449 HydrophobicContact CG1-CE1 3.82Å; V225-Y449 WeakPolarHBondContact CG1-OH 3.47Å
226	L	82.5	Confident	83.6	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.052	24%	0.244	C	C	.	.			trans	-111.6	133.1	179.8	-59	179.8	0	0	0	110.7	V190 Y192 L224 I231 F237 Y240 R270 N448	V190-L226 HydrophobicContact CB-CD2 4.33Å; V190-L226 HydrophobicContact CG1-CD2 3.93Å; V190-L226 HydrophobicContact CG2-CD2 3.75Å; Y192-L226 HydrophobicContact CE1-CD2 4.31Å; L224-L226 PolarHBondContact O-N 3.45Å; L226-I231 HydrophobicContact CB-CG2 3.73Å; L226-F237 HydrophobicContact CD1-CZ 4.5Å; L226-F237 HydrophobicContact CD2-CE1 4.08Å; L226-F237 HydrophobicContact CD2-CZ 4.36Å; L226-Y240 HydrophobicContact CD1-CE2 3.99Å; L226-R270 HydrophobicContact CD1-CB 3.68Å; L226-N448 PolarHBondContact O-ND2 3.19Å
227	P	79.4	Confident	83.7	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.013	25%	0.251	C	S	.	.			trans	-69.5	142.1	173.3	23.7	-25.9	0	0	0	110	Y192 L194 Q229 V230 I231 F450	Y192-P227 HydrophobicContact CD2-CG 4.2Å; Y192-P227 HydrophobicContact CE1-CG 4.33Å; Y192-P227 HydrophobicContact CE2-CG 3.42Å; Y192-P227 VanDerWaalsContact CE2-CG 3.42Å; Y192-P227 VanDerWaalsContact OH-CD 3.24Å; Y192-P227 WeakPolarHBondContact OH-CD 3.14Å; L194-P227 HydrophobicContact CD1-CB 4.16Å; L194-P227 HydrophobicContact CD1-CG 3.62Å; P227-Q229 PolarHBondContact O-N 3.38Å; P227-V230 HydrophobicContact CG-CG2 3.73Å; P227-V230 WeakPolarHBondContact O-CG2 3.22Å; P227-V230 PolarHBondContact O-N 3.21Å; P227-I231 WeakPolarHBondContact O-CG2 2.86Å; P227-I231 PolarHBondContact O-N 2.64Å; P227-F450 HydrophobicContact CB-CD2 4.07Å; P227-F450 HydrophobicContact CB-CE2 4.42Å
228	W	73.6	Confident	84.3	Confident	88 Å²	88	50.9 Å²	50.9	33%	0.333	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.2	-173.7	72.2	-85.4	0	0	0	113.5	V230 I231 N448 R454	W228-V230 PolarHBondContact O-N 3.28Å; W228-I231 HydrophobicContact CB-CD1 4.39Å; W228-I231 WeakPolarHBondContact O-CG1 3.13Å; W228-N448 PolarHBondContact N-ND2 2.72Å; W228-R454 VanDerWaalsContact CH2-NH1 3.26Å
229	Q	80.4	Confident	85.1	Confident	58 Å²	58	47 Å²	47	27%	0.271	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.8	175.3	-66.5	84.1	-20	0	0	113.5	L194 P227	L194-Q229 HydrophobicContact CD2-CB 3.71Å; L194-Q229 HydrophobicContact CD2-CG 4.12Å; P227-Q229 PolarHBondContact O-N 3.38Å
230	V	83.3	Confident	85.6	Confident	9 Å²	9	45.3 Å²	45.3	6%	0.055	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-1.5	-170.6	-55.2	0	0	0	0	113.9	Y192 L194 P227 W228 S232 F237	Y192-V230 HydrophobicContact CD1-CG2 4.18Å; Y192-V230 HydrophobicContact CD2-CG1 4.23Å; Y192-V230 HydrophobicContact CD2-CG2 4.24Å; Y192-V230 HydrophobicContact CG-CG1 4.34Å; Y192-V230 HydrophobicContact CG-CG2 4.01Å; L194-V230 HydrophobicContact CD2-CG1 3.81Å; L194-V230 HydrophobicContact CG-CG1 4.27Å; P227-V230 HydrophobicContact CG-CG2 3.73Å; P227-V230 WeakPolarHBondContact O-CG2 3.22Å; P227-V230 PolarHBondContact O-N 3.21Å; W228-V230 PolarHBondContact O-N 3.28Å; V230-S232 VanDerWaalsContact C-N 3.26Å; V230-S232 PolarHBondContact O-N 2.75Å; V230-F237 HydrophobicContact CB-CE2 4.17Å; V230-F237 HydrophobicContact CB-CZ 3.76Å; V230-F237 HydrophobicContact CG2-CE1 4.18Å; V230-F237 HydrophobicContact CG2-CZ 3.65Å; V230-F237 WeakPolarHBondContact O-CE2 3.43Å; V230-F237 VanDerWaalsContact O-CZ 3.25Å; V230-F237 WeakPolarHBondContact O-CZ 3.49Å
231	I	85.7	Confident	86.1	Confident	24 Å²	24	45.6 Å²	45.6	12%	0.123	22%	0.215	C	C	.	.			trans	-66.4	-26.7	-176	63.3	-178.3	0	0	0	113.2	L226 P227 W228 R269 R270 L442	L226-I231 HydrophobicContact CB-CG2 3.73Å; P227-I231 WeakPolarHBondContact O-CG2 2.86Å; P227-I231 PolarHBondContact O-N 2.64Å; W228-I231 HydrophobicContact CB-CD1 4.39Å; W228-I231 WeakPolarHBondContact O-CG1 3.13Å; I231-R269 HydrophobicContact CB-CB 3.98Å; I231-R269 HydrophobicContact CD1-CB 4.2Å; I231-R269 HydrophobicContact CG1-CB 4.05Å; I231-R269 CarbonylContact O-C 3.55Å; I231-R269 WeakPolarHBondContact O-CA 3.28Å; I231-R270 WeakPolarHBondContact O-CB 3.16Å; I231-R270 PolarHBondContact O-N 3.46Å; I231-L442 HydrophobicContact CD1-CD1 4.32Å; I231-L442 HydrophobicContact CD1-CD2 4.27Å
232	S	87.7	Confident	86.4	Confident	48 Å²	48	41.8 Å²	41.8	34%	0.336	20%	0.201	S	C	.	.	S	Bend	trans	-69	144.6	-176.5	176.5	0	0	0	0	111.9	V230 D234 K235 R270	V230-S232 VanDerWaalsContact C-N 3.26Å; V230-S232 PolarHBondContact O-N 2.75Å; S232-D234 WeakPolarHBondContact CB-OD1 3.15Å; S232-D234 PolarHBondContact O-N 3.24Å; S232-D234 PolarHBondContact OG-OD1 2.73Å; S232-K235 WeakPolarHBondContact O-CB 3.23Å; S232-K235 PolarHBondContact O-N 2.82Å; S232-K235 VanDerWaalsContact O-N 3.13Å; S232-R270 PolarHBondContact O-NH1 3.01Å
233	W	88.8	Confident	86.5	Confident	76 Å²	76	41.6 Å²	41.6	29%	0.288	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.1	-176.9	-70.2	103.2	0	0	0	114	K235 V265 N266 R269 R270 D381	W233-K235 PolarHBondContact O-N 3Å; W233-V265 HydrophobicContact CD2-CG1 4.05Å; W233-V265 HydrophobicContact CE3-CG1 4.45Å; W233-V265 HydrophobicContact CH2-CG1 3.95Å; W233-V265 HydrophobicContact CZ2-CG1 3.47Å; W233-V265 VanDerWaalsContact CZ2-CG1 3.47Å; W233-V265 HydrophobicContact CZ3-CG1 4.41Å; W233-N266 PolarHBondContact NE1-O 2.85Å; W233-R269 VanDerWaalsContact NE1-C 3.27Å; W233-R269 PolarHBondContact NE1-O 2.89Å; W233-R270 HydrophobicContact CD2-CG 3.78Å; W233-R270 HydrophobicContact CE3-CG 3.64Å; W233-R270 HydrophobicContact CH2-CG 3.64Å; W233-R270 HydrophobicContact CZ2-CG 3.77Å; W233-R270 HydrophobicContact CZ3-CG 3.58Å; W233-R270 PolarHBondContact O-NH1 2.92Å; W233-R270 PolarHBondContact O-NH2 2.93Å; W233-D381 HydrophobicContact CH2-CB 4.29Å; W233-D381 HydrophobicContact CZ2-CB 4.4Å
234	D	87.1	Confident	86.4	Confident	93 Å²	93	40.6 Å²	40.6	50%	0.497	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18	176	76.4	-46.6	0	0	0	113.4	S232	S232-D234 WeakPolarHBondContact CB-OD1 3.15Å; S232-D234 PolarHBondContact O-N 3.24Å; S232-D234 PolarHBondContact OG-OD1 2.73Å
235	K	87.3	Confident	86.1	Confident	92 Å²	92	41.4 Å²	41.4	40%	0.4	21%	0.205	S	C	.	.	S	Bend	trans	-78.7	129.5	178.9	-60.3	-57.4	-178.2	-149.3	0	110.8	S232 W233 F237 R270	S232-K235 WeakPolarHBondContact O-CB 3.23Å; S232-K235 PolarHBondContact O-N 2.82Å; S232-K235 VanDerWaalsContact O-N 3.13Å; W233-K235 PolarHBondContact O-N 3Å; K235-F237 HydrophobicContact CB-CE2 4.47Å; K235-R270 PolarHBondContact O-NH1 3.17Å
236	D	83.6	Confident	85.9	Confident	158 Å²	158	42.2 Å²	42.2	85%	0.845	21%	0.208	S	C	*	.			trans	-73.5	133.1	173.6	-70.3	-34.7	0	0	0	110.6
237	F	88.6	Confident	84.9	Confident	37 Å²	37	48 Å²	48	16%	0.162	24%	0.239	C	C	.	.			trans	-108.5	147.2	170.2	-80.5	-108	0	0	0	109.6	V190 Y192 L226 V230 K235 L239 Y240	V190-F237 HydrophobicContact CG2-CD1 3.32Å; V190-F237 HydrophobicContact CG2-CE1 3.25Å; V190-F237 HydrophobicContact CG2-CZ 4.48Å; Y192-F237 HydrophobicContact CD1-CD1 4.24Å; Y192-F237 AromaticContact CD1-CE1 3.67Å; Y192-F237 HydrophobicContact CD1-CE1 3.67Å; Y192-F237 HydrophobicContact CG-CE1 4.11Å; L226-F237 HydrophobicContact CD1-CZ 4.5Å; L226-F237 HydrophobicContact CD2-CE1 4.08Å; L226-F237 HydrophobicContact CD2-CZ 4.36Å; V230-F237 HydrophobicContact CB-CE2 4.17Å; V230-F237 HydrophobicContact CB-CZ 3.76Å; V230-F237 HydrophobicContact CG2-CE1 4.18Å; V230-F237 HydrophobicContact CG2-CZ 3.65Å; V230-F237 WeakPolarHBondContact O-CE2 3.43Å; V230-F237 VanDerWaalsContact O-CZ 3.25Å; V230-F237 WeakPolarHBondContact O-CZ 3.49Å; K235-F237 HydrophobicContact CB-CE2 4.47Å; F237-L239 VanDerWaalsContact C-N 3.34Å; F237-Y240 HydrophobicContact CD1-CD2 4.16Å; F237-Y240 HydrophobicContact CE1-CD2 4.18Å
238	I	88.9	Confident	83.8	Confident	45 Å²	45	53.9 Å²	53.9	23%	0.231	27%	0.27	C	S	.	.	S	Bend	trans	-72.4	-38.2	169.6	-65.4	160.5	0	0	0	109.2	F116 Y122 V170 C191	F116-I238 HydrophobicContact CD1-CG2 3.87Å; F116-I238 HydrophobicContact CD2-CG2 4.31Å; F116-I238 HydrophobicContact CE1-CG2 3.52Å; F116-I238 HydrophobicContact CE2-CG2 3.98Å; F116-I238 HydrophobicContact CG-CG2 4.28Å; F116-I238 HydrophobicContact CZ-CG2 3.57Å; Y122-I238 HydrophobicContact CE1-CD1 4.08Å; Y122-I238 HydrophobicContact CE1-CG2 4.36Å; V170-I238 HydrophobicContact CB-CD1 4.09Å; V170-I238 HydrophobicContact CG1-CD1 3.49Å; V170-I238 VanDerWaalsContact CG1-CD1 3.49Å; V170-I238 HydrophobicContact CG2-CD1 3.4Å; V170-I238 VanDerWaalsContact CG2-CD1 3.4Å; C191-I238 HydrophobicContact CB-CB 4.08Å; C191-I238 HydrophobicContact CB-CG2 4.41Å; C191-I238 PolarHBondContact O-N 3.28Å
239	L	90.9	Very high	83	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.089	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	128.4	172.5	176.4	57.8	0	0	0	108.1	F111 Y115 F116 A189 V190 C191 F237	F111-L239 HydrophobicContact CD1-CD2 3.95Å; F111-L239 HydrophobicContact CE1-CD2 4.01Å; F111-L239 HydrophobicContact CG-CD2 4.29Å; F111-L239 HydrophobicContact CZ-CD2 4.37Å; Y115-L239 HydrophobicContact CD1-CD1 3.75Å; Y115-L239 HydrophobicContact CG-CD1 4.15Å; Y115-L239 HydrophobicContact CG-CD2 4.29Å; F116-L239 HydrophobicContact CE1-CB 4.05Å; F116-L239 HydrophobicContact CE1-CD2 4.37Å; A189-L239 HydrophobicContact CB-CD2 3.65Å; A189-L239 HydrophobicContact CB-CG 4.3Å; V190-L239 CarbonylContact C-O 3.58Å; V190-L239 VanDerWaalsContact CA-O 3.27Å; V190-L239 WeakPolarHBondContact CA-O 3.17Å; V190-L239 WeakPolarHBondContact CG2-O 2.99Å; C191-L239 HydrophobicContact CB-CB 4Å; C191-L239 PolarHBondContact N-O 3.42Å; C191-L239 PolarHBondContact O-N 3.39Å; F237-L239 VanDerWaalsContact C-N 3.34Å
240	Y	91.5	Very high	81.7	Confident	19 Å²	19	51.3 Å²	51.3	8%	0.075	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	101.5	168.7	-173.8	-108.7	0	0	0	108.4	F41 V190 L226 F237 P242 R270 G272 D381	F41-Y240 HydrophobicContact CZ-CD1 4.45Å; V190-Y240 HydrophobicContact CB-CD2 4.34Å; V190-Y240 HydrophobicContact CG2-CD2 3.68Å; V190-Y240 HydrophobicContact CG2-CE2 4.33Å; L226-Y240 HydrophobicContact CD1-CE2 3.99Å; F237-Y240 HydrophobicContact CD1-CD2 4.16Å; F237-Y240 HydrophobicContact CE1-CD2 4.18Å; Y240-P242 HydrophobicContact CD1-CG 4.44Å; Y240-P242 HydrophobicContact CE1-CB 4.45Å; Y240-P242 HydrophobicContact CE1-CG 3.78Å; Y240-R270 HydrophobicContact CE1-CB 4.47Å; Y240-R270 HydrophobicContact CE1-CG 3.99Å; Y240-R270 HydrophobicContact CE2-CB 4.3Å; Y240-R270 HydrophobicContact CE2-CG 4.46Å; Y240-G272 WeakPolarHBondContact OH-CA 3.4Å; Y240-G272 PolarHBondContact OH-N 3.4Å; Y240-D381 VanDerWaalsContact CE1-OD2 3.24Å; Y240-D381 WeakPolarHBondContact CE1-OD2 3.49Å; Y240-D381 VanDerWaalsContact CZ-OD2 3.26Å; Y240-D381 PolarHBondContact OH-OD1 3.08Å; Y240-D381 PolarHBondContact OH-OD2 2.94Å
241	Y	91.3	Very high	79.9	Confident	22 Å²	22	57.1 Å²	57.1	9%	0.086	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	77.2	-178.7	-174.1	-93.3	0	0	0	107.7	M186 G188 A189 I253 H254	M186-Y241 HydrophobicContact CE-CD1 3.41Å; M186-Y241 VanDerWaalsContact CE-CD1 3.41Å; M186-Y241 HydrophobicContact CE-CE1 3.74Å; M186-Y241 HydrophobicContact CE-CG 4.03Å; M186-Y241 HydrophobicContact SD-CD1 4.35Å; G188-Y241 CarbonylContact C-O 3.5Å; G188-Y241 WeakPolarHBondContact CA-O 3.36Å; A189-Y241 PolarHBondContact N-O 2.8Å; A189-Y241 CarbonylContact O-C 3.51Å; A189-Y241 WeakPolarHBondContact O-CA 3.47Å; A189-Y241 PolarHBondContact O-N 3.12Å; A189-Y241 VanDerWaalsContact O-O 3.08Å; Y241-I253 HydrophobicContact CD2-CG2 4.18Å; Y241-I253 HydrophobicContact CE2-CG2 3.44Å; Y241-I253 VanDerWaalsContact CE2-CG2 3.44Å; Y241-H254 AromaticContact CZ-NE2 3.83Å; Y241-H254 PolarHBondContact OH-CE1 2.79Å; Y241-H254 PolarHBondContact OH-NE2 2.93Å
242	P	92.4	Very high	78.3	Confident	8 Å²	8	59.5 Å²	59.5	5%	0.052	30%	0.299	C	S	.	.			trans	-67.9	148.3	-175.3	29.1	-35.6	0	0	0	111.3	Y240 A274	Y240-P242 HydrophobicContact CD1-CG 4.44Å; Y240-P242 HydrophobicContact CE1-CB 4.45Å; Y240-P242 HydrophobicContact CE1-CG 3.78Å; P242-A274 HydrophobicContact CB-CB 4.43Å; P242-A274 HydrophobicContact CG-CB 3.89Å
243	P	91	Very high	76.7	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.052	29%	0.291	C	S	.	.			trans	-56.3	149.1	165.8	-21.6	34.3	0	0	0	110.5	V175 L187 Y222 L224 I273 A274	V175-P243 HydrophobicContact CG1-CB 4.46Å; V175-P243 HydrophobicContact CG1-CG 3.41Å; V175-P243 VanDerWaalsContact CG1-CG 3.41Å; L187-P243 WeakPolarHBondContact O-CA 3.33Å; Y222-P243 WeakPolarHBondContact O-CG 3.21Å; L224-P243 HydrophobicContact CD1-CG 4.39Å; L224-P243 HydrophobicContact CG-CG 4.15Å; P243-I273 CarbonylContact O-C 3.58Å; P243-I273 WeakPolarHBondContact O-CA 3.24Å; P243-I273 WeakPolarHBondContact O-CG1 3.46Å; P243-A274 PolarHBondContact O-N 2.58Å
244	T	89.1	Confident	74.8	Confident	16 Å²	16	58.5 Å²	58.5	10%	0.098	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-111.7	144.5	173.6	179.4	0	0	0	0	111.7	D246 L250 A274	T244-D246 VanDerWaalsContact CG2-O 3.31Å; T244-D246 WeakPolarHBondContact CG2-O 2.82Å; T244-D246 PolarHBondContact OG1-N 3.01Å; T244-D246 PolarHBondContact OG1-O 3.48Å; T244-L250 HydrophobicContact CG2-CB 3.82Å; T244-L250 HydrophobicContact CG2-CD1 3.38Å; T244-L250 HydrophobicContact CG2-CD2 4.46Å; T244-L250 HydrophobicContact CG2-CG 3.24Å; T244-A274 VanDerWaalsContact CA-O 3.32Å; T244-A274 WeakPolarHBondContact CA-O 3.35Å
245	T	84.3	Confident	72.5	Confident	16 Å²	16	55.6 Å²	55.6	10%	0.098	29%	0.286	C	S	.	.	S	Bend	trans	-84.1	-16.2	175.4	56	0	0	0	0	113.4	Y216 Y221 I273 A274 G277	Y216-T245 HydrophobicContact CD1-CG2 3.94Å; Y216-T245 HydrophobicContact CE1-CG2 3.84Å; Y221-T245 HydrophobicContact CD2-CG2 4.23Å; Y221-T245 HydrophobicContact CG-CG2 4.37Å; T245-I273 HydrophobicContact CG2-CD1 3.49Å; T245-I273 VanDerWaalsContact CG2-CD1 3.49Å; T245-I273 HydrophobicContact CG2-CG1 3.95Å; T245-A274 PolarHBondContact N-O 2.85Å; T245-A274 PolarHBondContact OG1-O 2.91Å; T245-G277 WeakPolarHBondContact OG1-CA 3.35Å; T245-G277 PolarHBondContact OG1-N 3.45Å
246	D	76.9	Confident	70.2	Confident	40 Å²	40	61.9 Å²	61.9	21%	0.214	31%	0.313	C	S	.	.	S	Bend	trans	-129.8	144.8	-178.5	69.1	71.9	0	0	0	112.3	T244 N248 H249 L250 G275 Q276	T244-D246 VanDerWaalsContact CG2-O 3.31Å; T244-D246 WeakPolarHBondContact CG2-O 2.82Å; T244-D246 PolarHBondContact OG1-N 3.01Å; T244-D246 PolarHBondContact OG1-O 3.48Å; D246-N248 VanDerWaalsContact C-N 3.3Å; D246-N248 PolarHBondContact O-N 3.23Å; D246-N248 PolarHBondContact OD1-N 3.26Å; D246-H249 PolarHBondContact O-N 3.28Å; D246-H249 WeakPolarHBondContact OD1-CA 2.99Å; D246-H249 WeakPolarHBondContact OD1-CB 3.43Å; D246-H249 PolarHBondContact OD1-N 2.81Å; D246-L250 PolarHBondContact O-N 3.49Å; D246-G275 WeakPolarHBondContact OD2-CA 3.36Å; D246-Q276 PolarHBondContact OD2-N 2.93Å
247	L	61.7	Low	68.1	Low	133 Å²	133	58.6 Å²	58.6	70%	0.696	30%	0.298	S	S	*	.	H	α-helix	trans	-67.9	-31.5	-176.9	-76.1	163.7	0	0	0	112.1	H249 L250 Q251	L247-H249 VanDerWaalsContact C-N 3.34Å; L247-L250 HydrophobicContact CD2-CD1 4.3Å; L247-L250 VanDerWaalsContact O-CB 3.23Å; L247-L250 WeakPolarHBondContact O-CB 3.47Å; L247-L250 PolarHBondContact O-N 3.42Å; L247-Q251 PolarHBondContact O-N 3.36Å; L247-Q251 VanDerWaalsContact O-N 3.14Å
248	N	56.7	Low	65.8	Low	125 Å²	125	65.4 Å²	65.4	67%	0.668	33%	0.328	S	S	*	.	H	α-helix	trans	-65.7	-40.4	-179.7	-68.6	-15	0	0	0	110.6	D246 L250 Q251 F252	D246-N248 VanDerWaalsContact C-N 3.3Å; D246-N248 PolarHBondContact O-N 3.23Å; D246-N248 PolarHBondContact OD1-N 3.26Å; N248-L250 VanDerWaalsContact C-N 3.34Å; N248-Q251 WeakPolarHBondContact O-CB 3.42Å; N248-Q251 PolarHBondContact O-N 3.5Å; N248-Q251 VanDerWaalsContact O-N 3.16Å; N248-F252 PolarHBondContact O-N 3.05Å
249	H	56.3	Low	63.4	Low	29 Å²	29	73.4 Å²	73.4	13%	0.134	36%	0.361	C	S	.	.	H	α-helix	trans	-73.4	-28.1	176.8	-145	70.6	0	0	0	112.2	D246 L247 Q251 F252 I253 N382	D246-H249 PolarHBondContact O-N 3.28Å; D246-H249 WeakPolarHBondContact OD1-CA 2.99Å; D246-H249 WeakPolarHBondContact OD1-CB 3.43Å; D246-H249 PolarHBondContact OD1-N 2.81Å; L247-H249 VanDerWaalsContact C-N 3.34Å; H249-Q251 VanDerWaalsContact C-N 3.25Å; H249-Q251 PolarHBondContact O-N 3.06Å; H249-F252 AromaticContact CE1-CD1 3.81Å; H249-F252 WeakPolarHBondContact O-CB 3.28Å; H249-F252 PolarHBondContact O-N 2.88Å; H249-F252 VanDerWaalsContact O-N 3.15Å; H249-I253 VanDerWaalsContact O-CG1 3.31Å; H249-I253 WeakPolarHBondContact O-CG1 3.21Å; H249-I253 PolarHBondContact O-N 2.83Å; H249-N382 PolarHBondContact CE1-ND2 3.16Å; H249-N382 PolarHBondContact NE2-ND2 3.01Å; H249-N382 PolarHBondContact NE2-OD1 2.98Å
250	L	53.6	Low	61.1	Low	63 Å²	63	79.6 Å²	79.6	33%	0.33	39%	0.394	S	S	.	.	H	α-helix	trans	-58.7	-39.1	167.6	-114.4	151.4	0	0	0	111.3	T244 D246 L247 N248 H254	T244-L250 HydrophobicContact CG2-CB 3.82Å; T244-L250 HydrophobicContact CG2-CD1 3.38Å; T244-L250 HydrophobicContact CG2-CD2 4.46Å; T244-L250 HydrophobicContact CG2-CG 3.24Å; D246-L250 PolarHBondContact O-N 3.49Å; L247-L250 HydrophobicContact CD2-CD1 4.3Å; L247-L250 VanDerWaalsContact O-CB 3.23Å; L247-L250 WeakPolarHBondContact O-CB 3.47Å; L247-L250 PolarHBondContact O-N 3.42Å; N248-L250 VanDerWaalsContact C-N 3.34Å; L250-H254 WeakPolarHBondContact O-CB 3.29Å; L250-H254 PolarHBondContact O-N 2.81Å; L250-H254 PolarHBondContact O-ND1 3.45Å
251	Q	45.2	Very low	59	Low	130 Å²	130	85.8 Å²	85.8	61%	0.607	42%	0.424	S	S	*	.	H	α-helix	trans	-73.8	-33.4	173.8	-64.9	179.6	7.1	0	0	112.1	L247 N248 H249 G255	L247-Q251 PolarHBondContact O-N 3.36Å; L247-Q251 VanDerWaalsContact O-N 3.14Å; N248-Q251 WeakPolarHBondContact O-CB 3.42Å; N248-Q251 PolarHBondContact O-N 3.5Å; N248-Q251 VanDerWaalsContact O-N 3.16Å; H249-Q251 VanDerWaalsContact C-N 3.25Å; H249-Q251 PolarHBondContact O-N 3.06Å; Q251-G255 WeakPolarHBondContact O-CA 3.17Å; Q251-G255 PolarHBondContact O-N 2.8Å
252	F	50.9	Low	57.3	Low	75 Å²	75	92.4 Å²	92.4	33%	0.329	46%	0.456	S	S	.	.	H	α-helix	trans	-65.4	-42.6	173.8	-178.9	-95.9	0	0	0	112.3	N248 H249 T263	N248-F252 PolarHBondContact O-N 3.05Å; H249-F252 AromaticContact CE1-CD1 3.81Å; H249-F252 WeakPolarHBondContact O-CB 3.28Å; H249-F252 PolarHBondContact O-N 2.88Å; H249-F252 VanDerWaalsContact O-N 3.15Å; F252-T263 HydrophobicContact CE2-CG2 4.43Å; F252-T263 HydrophobicContact CZ-CG2 3.73Å
253	I	54.3	Low	56.3	Low	32 Å²	32	96.2 Å²	96.2	16%	0.164	48%	0.479	C	S	.	.	H	α-helix	trans	-67.7	-36.3	178.5	-67.2	168.8	0	0	0	111.1	Y241 H249	Y241-I253 HydrophobicContact CD2-CG2 4.18Å; Y241-I253 HydrophobicContact CE2-CG2 3.44Å; Y241-I253 VanDerWaalsContact CE2-CG2 3.44Å; H249-I253 VanDerWaalsContact O-CG1 3.31Å; H249-I253 WeakPolarHBondContact O-CG1 3.21Å; H249-I253 PolarHBondContact O-N 2.83Å
254	H	48.7	Very low	56	Low	70 Å²	70	98.5 Å²	98.5	32%	0.324	49%	0.489	S	S	.	.	H	α-helix	trans	-95	-14.6	-178.1	-67.7	130.8	0	0	0	115.2	Y241 L250	Y241-H254 AromaticContact CZ-NE2 3.83Å; Y241-H254 PolarHBondContact OH-CE1 2.79Å; Y241-H254 PolarHBondContact OH-NE2 2.93Å; L250-H254 WeakPolarHBondContact O-CB 3.29Å; L250-H254 PolarHBondContact O-N 2.81Å; L250-H254 PolarHBondContact O-ND1 3.45Å
255	G	39.7	Very low	56.1	Low	33 Å²	33	100.8 Å²	100.8	34%	0.34	50%	0.503	S	S	.	.	S	Bend	trans	-118	135.2	-168.1	0	0	0	0	0	112.6	Q251 T257	Q251-G255 WeakPolarHBondContact O-CA 3.17Å; Q251-G255 PolarHBondContact O-N 2.8Å; G255-T257 PolarHBondContact O-N 3.31Å
256	K	38.7	Very low	56.4	Low	223 Å²	223	100 Å²	100	97%	0.97	50%	0.498	S	S	*	.			trans	-70.6	45.7	170.4	-72.8	-179.9	174.3	173.5	0	112.4	K258	K256-K258 PolarHBondContact O-N 3.27Å
257	T	39.3	Very low	57	Low	89 Å²	89	101.8 Å²	101.8	55%	0.546	51%	0.511	S	S	.	.			trans	-94	105.4	-175.4	30.7	0	0	0	0	111.8	G255	G255-T257 PolarHBondContact O-N 3.31Å
258	K	39.8	Very low	58.2	Low	181 Å²	181	99 Å²	99	79%	0.787	50%	0.495	S	S	*	.			trans	40.8	114.1	152	-67.8	-177.1	177.4	179.9	0	118.8	K256 D260	K256-K258 PolarHBondContact O-N 3.27Å; K258-D260 PolarHBondContact O-N 2.74Å
259	K	39.6	Very low	59.7	Low	212 Å²	212	93.9 Å²	93.9	92%	0.922	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.1	10	167.4	-99.8	176.5	172.2	-178.6	0	120.2
260	D	42.6	Very low	61.3	Low	147 Å²	147	93.9 Å²	93.9	79%	0.786	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-1	-167.4	-66.9	-31.6	0	0	0	115.8	K258	K258-D260 PolarHBondContact O-N 2.74Å
261	E	47.3	Very low	63	Low	150 Å²	150	91.4 Å²	91.4	70%	0.701	45%	0.452	S	S	*	.	S	Bend	trans	-88.7	122.4	165.8	-73.7	-178.3	177	0	0	108.9	T263	E261-T263 PolarHBondContact O-N 2.79Å
262	E	54.4	Low	65.2	Low	161 Å²	161	85.2 Å²	85.2	75%	0.752	42%	0.423	S	S	*	.			trans	-50.5	109.8	171.8	-80.8	-175.1	155	0	0	108	H264	E262-H264 PolarHBondContact O-N 3.31Å; E262-H264 PolarHBondContact O-ND1 2.78Å; E262-H264 IonicContact OE2-NE2 3.34Å
263	T	72.3	Confident	67.1	Low	88 Å²	88	81.6 Å²	81.6	54%	0.54	41%	0.408	S	S	.	.			trans	-67.9	91.1	174.8	50.6	0	0	0	0	106.9	F252 E261 V265	F252-T263 HydrophobicContact CE2-CG2 4.43Å; F252-T263 HydrophobicContact CZ-CG2 3.73Å; E261-T263 PolarHBondContact O-N 2.79Å; T263-V265 PolarHBondContact O-N 3.47Å; T263-V265 VanDerWaalsContact O-N 3.1Å
264	H	84.7	Confident	68.8	Low	55 Å²	55	80.2 Å²	80.2	26%	0.255	40%	0.401	S	S	.	.			trans	-66.6	109.4	172.6	-66.3	94.1	0	0	0	107.1	E262 L282 G283 N382 W384	E262-H264 PolarHBondContact O-N 3.31Å; E262-H264 PolarHBondContact O-ND1 2.78Å; E262-H264 IonicContact OE2-NE2 3.34Å; H264-L282 HydrophobicContact CB-CB 4.4Å; H264-G283 WeakPolarHBondContact CD2-CA 3.2Å; H264-N382 WeakPolarHBondContact CB-O 3.44Å; H264-N382 WeakPolarHBondContact O-CA 3.16Å; H264-N382 PolarHBondContact O-ND2 2.93Å; H264-W384 HydrophobicContact CB-CH2 4.42Å; H264-W384 HydrophobicContact CB-CZ3 4.2Å
265	V	90.3	Very high	70.7	Confident	65 Å²	65	76.9 Å²	76.9	39%	0.394	39%	0.386	S	S	.	.			trans	-117.2	124	175.9	179.3	0	0	0	0	106.5	W233 T263 P267 D381 W384	W233-V265 HydrophobicContact CD2-CG1 4.05Å; W233-V265 HydrophobicContact CE3-CG1 4.45Å; W233-V265 HydrophobicContact CH2-CG1 3.95Å; W233-V265 HydrophobicContact CZ2-CG1 3.47Å; W233-V265 VanDerWaalsContact CZ2-CG1 3.47Å; W233-V265 HydrophobicContact CZ3-CG1 4.41Å; T263-V265 PolarHBondContact O-N 3.47Å; T263-V265 VanDerWaalsContact O-N 3.1Å; V265-P267 VanDerWaalsContact O-N 3.11Å; V265-D381 CarbonylContact C-O 3.56Å; V265-D381 WeakPolarHBondContact CA-O 3.49Å; V265-W384 VanDerWaalsContact C-CZ3 3.49Å; V265-W384 WeakPolarHBondContact O-CH2 3.22Å; V265-W384 WeakPolarHBondContact O-CZ3 3.23Å
266	N	91.4	Very high	73.1	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	38%	0.384	C	S	.	.			trans	-51.7	118.9	177	-179.6	-38	0	0	0	108.9	W233 E268 R269 Y373 T380 D381 W384	W233-N266 PolarHBondContact NE1-O 2.85Å; N266-E268 PolarHBondContact O-N 3.26Å; N266-E268 PolarHBondContact OD1-N 3.14Å; N266-R269 WeakPolarHBondContact CB-O 3.15Å; N266-R269 VanDerWaalsContact CG-O 3.31Å; N266-R269 PolarHBondContact OD1-N 2.83Å; N266-Y373 PolarHBondContact ND2-OH 3.37Å; N266-Y373 WeakPolarHBondContact OD1-CE2 3.43Å; N266-Y373 PolarHBondContact OD1-OH 2.59Å; N266-T380 PolarHBondContact ND2-O 3.33Å; N266-D381 WeakPolarHBondContact CB-O 3.43Å; N266-D381 PolarHBondContact N-O 3.37Å; N266-W384 VanDerWaalsContact CA-CE3 3.47Å; N266-W384 HydrophobicContact CB-CE3 4.01Å
267	P	90	Very high	75.5	Confident	76 Å²	76	69 Å²	69	49%	0.494	35%	0.35	S	S	.	.	S	Bend	trans	-68.7	-24.4	-168.4	26.3	-34.7	0	0	0	113.1	V265 Y373 W384	V265-P267 VanDerWaalsContact O-N 3.11Å; P267-Y373 HydrophobicContact CG-CD2 4.16Å; P267-Y373 HydrophobicContact CG-CE2 4.36Å; P267-W384 HydrophobicContact CG-CZ2 4.28Å
268	E	86.4	Confident	77.5	Confident	74 Å²	74	68.5 Å²	68.5	35%	0.346	34%	0.343	S	S	.	.	S	Bend	trans	-92.6	-39.9	-173.2	-63.4	-62.3	143.8	0	0	112.1	N266 Y373 Q438	N266-E268 PolarHBondContact O-N 3.26Å; N266-E268 PolarHBondContact OD1-N 3.14Å; E268-Y373 HydrophobicContact CB-CD2 4.35Å; E268-Y373 HydrophobicContact CB-CE1 4.15Å; E268-Y373 HydrophobicContact CB-CE2 3.93Å; E268-Y373 HydrophobicContact CG-CD1 3.64Å; E268-Y373 HydrophobicContact CG-CD2 3.39Å; E268-Y373 HydrophobicContact CG-CE1 3.76Å; E268-Y373 HydrophobicContact CG-CE2 3.47Å; E268-Y373 VanDerWaalsContact CG-CE2 3.47Å; E268-Y373 HydrophobicContact CG-CG 3.46Å; E268-Y373 VanDerWaalsContact CG-CG 3.46Å; E268-Q438 PolarHBondContact OE2-NE2 2.78Å
269	R	87.8	Confident	79.8	Confident	19 Å²	19	60.5 Å²	60.5	7%	0.072	31%	0.308	C	S	.	.			trans	-166.2	158.7	-168.3	61	-178.5	-169.2	-100.2	-0.5	114.9	I231 W233 N266 T271 Y373 S375 E379 L442	I231-R269 HydrophobicContact CB-CB 3.98Å; I231-R269 HydrophobicContact CD1-CB 4.2Å; I231-R269 HydrophobicContact CG1-CB 4.05Å; I231-R269 CarbonylContact O-C 3.55Å; I231-R269 WeakPolarHBondContact O-CA 3.28Å; W233-R269 VanDerWaalsContact NE1-C 3.27Å; W233-R269 PolarHBondContact NE1-O 2.89Å; N266-R269 WeakPolarHBondContact CB-O 3.15Å; N266-R269 VanDerWaalsContact CG-O 3.31Å; N266-R269 PolarHBondContact OD1-N 2.83Å; R269-T271 HydrophobicContact CG-CG2 4.38Å; R269-Y373 PolarHBondContact NH1-OH 2.95Å; R269-S375 VanDerWaalsContact CZ-OG 3.31Å; R269-S375 PolarHBondContact NH1-OG 2.93Å; R269-S375 PolarHBondContact NH2-OG 2.79Å; R269-E379 IonicContact CZ-OE2 3.58Å; R269-E379 IonicContact NH1-OE2 3.79Å; R269-E379 IonicContact NH2-OE2 2.76Å; R269-E379 PolarHBondContact NH2-OE2 2.67Å; R269-L442 VanDerWaalsContact CZ-CD2 3.43Å
270	R	90.4	Very high	81.9	Confident	29 Å²	29	53.3 Å²	53.3	11%	0.109	28%	0.277	C	S	.	.			trans	-66.7	142.1	153.8	-65.7	179.1	-175.1	103.6	1.7	109.5	L226 I231 S232 W233 K235 Y240	L226-R270 HydrophobicContact CD1-CB 3.68Å; I231-R270 WeakPolarHBondContact O-CB 3.16Å; I231-R270 PolarHBondContact O-N 3.46Å; S232-R270 PolarHBondContact O-NH1 3.01Å; W233-R270 HydrophobicContact CD2-CG 3.78Å; W233-R270 HydrophobicContact CE3-CG 3.64Å; W233-R270 HydrophobicContact CH2-CG 3.64Å; W233-R270 HydrophobicContact CZ2-CG 3.77Å; W233-R270 HydrophobicContact CZ3-CG 3.58Å; W233-R270 PolarHBondContact O-NH1 2.92Å; W233-R270 PolarHBondContact O-NH2 2.93Å; K235-R270 PolarHBondContact O-NH1 3.17Å; Y240-R270 HydrophobicContact CE1-CB 4.47Å; Y240-R270 HydrophobicContact CE1-CG 3.99Å; Y240-R270 HydrophobicContact CE2-CB 4.3Å; Y240-R270 HydrophobicContact CE2-CG 4.46Å
271	T	88.9	Confident	84	Confident	10 Å²	10	50.3 Å²	50.3	6%	0.061	26%	0.261	C	S	.	.			trans	-118.5	-11.6	-175.1	78.3	0	0	0	0	111.6	R223 R269 I273 E379 T380 D381	R223-T271 VanDerWaalsContact CD-O 3.22Å; R223-T271 WeakPolarHBondContact CD-O 3.42Å; R223-T271 WeakPolarHBondContact CG-O 3.39Å; R223-T271 PolarHBondContact NH1-O 2.55Å; R223-T271 PolarHBondContact NH1-OG1 2.89Å; R269-T271 HydrophobicContact CG-CG2 4.38Å; T271-I273 VanDerWaalsContact C-N 3.34Å; T271-I273 PolarHBondContact OG1-O 2.83Å; T271-I273 VanDerWaalsContact OG1-O 3.08Å; T271-E379 WeakPolarHBondContact CB-O 3.3Å; T271-E379 HydrophobicContact CG2-CB 4.4Å; T271-E379 PolarHBondContact OG1-O 3.41Å; T271-T380 VanDerWaalsContact CG2-C 3.47Å; T271-T380 VanDerWaalsContact CG2-O 3.26Å; T271-T380 WeakPolarHBondContact CG2-O 3.37Å; T271-T380 VanDerWaalsContact OG1-CA 3.24Å; T271-T380 WeakPolarHBondContact OG1-CA 3.39Å; T271-D381 WeakPolarHBondContact CA-OD1 3.33Å; T271-D381 WeakPolarHBondContact CB-OD1 3.47Å; T271-D381 PolarHBondContact N-OD1 3.22Å; T271-D381 PolarHBondContact OG1-N 3.11Å; T271-D381 PolarHBondContact OG1-OD1 2.92Å
272	G	91	Very high	86	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	82.3	10.8	178.3	0	0	0	0	0	114.6	L224 Y240 D381	L224-G272 PolarHBondContact N-O 2.89Å; L224-G272 WeakPolarHBondContact O-CA 3.16Å; Y240-G272 WeakPolarHBondContact OH-CA 3.4Å; Y240-G272 PolarHBondContact OH-N 3.4Å; G272-D381 PolarHBondContact N-OD1 3.34Å
273	I	91.2	Very high	87.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.			trans	-149	140	171.3	-165.4	171.2	0	0	0	108.7	Y216 R223 P243 T245 T271 T380 D381	Y216-I273 HydrophobicContact CD1-CD1 3.88Å; Y216-I273 HydrophobicContact CD2-CD1 3.83Å; Y216-I273 HydrophobicContact CD2-CG2 4.07Å; Y216-I273 HydrophobicContact CE2-CD1 4.44Å; Y216-I273 HydrophobicContact CE2-CG2 4.1Å; Y216-I273 HydrophobicContact CG-CD1 3.52Å; R223-I273 HydrophobicContact CB-CB 4.25Å; R223-I273 HydrophobicContact CB-CG2 4.44Å; R223-I273 HydrophobicContact CG-CB 4.19Å; R223-I273 HydrophobicContact CG-CG2 4.18Å; P243-I273 CarbonylContact O-C 3.58Å; P243-I273 WeakPolarHBondContact O-CA 3.24Å; P243-I273 WeakPolarHBondContact O-CG1 3.46Å; T245-I273 HydrophobicContact CG2-CD1 3.49Å; T245-I273 VanDerWaalsContact CG2-CD1 3.49Å; T245-I273 HydrophobicContact CG2-CG1 3.95Å; T271-I273 VanDerWaalsContact C-N 3.34Å; T271-I273 PolarHBondContact OG1-O 2.83Å; T271-I273 VanDerWaalsContact OG1-O 3.08Å; I273-T380 HydrophobicContact CG2-CG2 4.04Å; I273-D381 PolarHBondContact O-N 3.22Å
274	A	91.2	Very high	88.8	Confident	3 Å²	3	37.5 Å²	37.5	3%	0.025	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-111.7	169.7	-178.6	0	0	0	0	0	111.9	P242 P243 T244 T245 D381 N382	P242-A274 HydrophobicContact CB-CB 4.43Å; P242-A274 HydrophobicContact CG-CB 3.89Å; P243-A274 PolarHBondContact O-N 2.58Å; T244-A274 VanDerWaalsContact CA-O 3.32Å; T244-A274 WeakPolarHBondContact CA-O 3.35Å; T245-A274 PolarHBondContact N-O 2.85Å; T245-A274 PolarHBondContact OG1-O 2.91Å; A274-D381 HydrophobicContact CB-CB 4.45Å; A274-N382 WeakPolarHBondContact CA-OD1 3.33Å
275	G	88.8	Confident	89.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	91.2	-174.3	-177.5	0	0	0	0	0	113.7	D246 T380 N382	D246-G275 WeakPolarHBondContact OD2-CA 3.36Å; G275-T380 VanDerWaalsContact O-CB 3.24Å; G275-T380 WeakPolarHBondContact O-CB 3.47Å; G275-T380 PolarHBondContact O-OG1 2.71Å; G275-N382 PolarHBondContact N-OD1 3.4Å
276	Q	89.2	Confident	89.1	Confident	65 Å²	65	35.8 Å²	35.8	30%	0.304	18%	0.184	S	C	.	.			trans	-74.8	-28.8	-177.2	-177.3	172	-49	0	0	113.6	D246 W279 K280 L282	D246-Q276 PolarHBondContact OD2-N 2.93Å; Q276-W279 HydrophobicContact CG-CB 4.48Å; Q276-W279 WeakPolarHBondContact CG-O 3.38Å; Q276-W279 PolarHBondContact NE2-O 3.36Å; Q276-W279 WeakPolarHBondContact O-CB 3.33Å; Q276-W279 PolarHBondContact O-N 2.91Å; Q276-K280 PolarHBondContact NE2-O 3.26Å; Q276-L282 HydrophobicContact CB-CD2 3.77Å; Q276-L282 HydrophobicContact CB-CG 4.21Å; Q276-L282 HydrophobicContact CG-CD2 4.46Å
277	G	88.3	Confident	89	Confident	25 Å²	25	36.1 Å²	36.1	26%	0.258	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-138.7	-175.7	0	0	0	0	0	113.4	Y216 T245 W279	Y216-G277 WeakPolarHBondContact OH-CA 3.44Å; T245-G277 WeakPolarHBondContact OG1-CA 3.35Å; T245-G277 PolarHBondContact OG1-N 3.45Å; G277-W279 PolarHBondContact O-N 3.21Å
278	I	82.3	Confident	88.8	Confident	78 Å²	78	32.6 Å²	32.6	40%	0.4	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.4	178.7	64.1	163.6	0	0	0	113.5	Y216 A217 T219 D378	Y216-I278 HydrophobicContact CE1-CG2 4.14Å; Y216-I278 PolarHBondContact OH-N 3.07Å; A217-I278 HydrophobicContact CB-CD1 3.91Å; A217-I278 HydrophobicContact CB-CG1 4.3Å; A217-I278 HydrophobicContact CB-CG2 3.54Å; T219-I278 HydrophobicContact CG2-CG2 3.67Å; I278-D378 HydrophobicContact CD1-CB 3.7Å; I278-D378 HydrophobicContact CG1-CB 4.05Å
279	W	87	Confident	88.7	Confident	13 Å²	13	29.2 Å²	29.2	5%	0.049	15%	0.147	C	C	.	.	S	Bend	trans	-78.8	157.5	-174.4	-58.8	110.3	0	0	0	111.8	Q276 G277 N285 M287 H376 D378 E379 A383 V385	Q276-W279 HydrophobicContact CG-CB 4.48Å; Q276-W279 WeakPolarHBondContact CG-O 3.38Å; Q276-W279 PolarHBondContact NE2-O 3.36Å; Q276-W279 WeakPolarHBondContact O-CB 3.33Å; Q276-W279 PolarHBondContact O-N 2.91Å; G277-W279 PolarHBondContact O-N 3.21Å; W279-N285 HydrophobicContact CE3-CB 4.34Å; W279-M287 HydrophobicContact CE3-CE 3.8Å; W279-M287 HydrophobicContact CZ3-CE 3.42Å; W279-M287 VanDerWaalsContact CZ3-CE 3.42Å; W279-M287 HydrophobicContact CZ3-SD 4.29Å; W279-H376 HydrophobicContact CH2-CB 4.03Å; W279-H376 AromaticContact CH2-CD2 3.8Å; W279-H376 AromaticContact CH2-CE1 3.51Å; W279-H376 AromaticContact CH2-CG 3.46Å; W279-H376 VanDerWaalsContact CH2-CG 3.46Å; W279-H376 AromaticContact CH2-ND1 3.24Å; W279-H376 WeakPolarHBondContact CH2-ND1 3.26Å; W279-H376 AromaticContact CH2-NE2 3.84Å; W279-H376 HydrophobicContact CZ2-CB 4.07Å; W279-H376 AromaticContact CZ2-CE1 3.98Å; W279-H376 AromaticContact CZ2-CG 3.78Å; W279-H376 AromaticContact CZ2-ND1 3.36Å; W279-H376 WeakPolarHBondContact CZ2-ND1 3.41Å; W279-D378 HydrophobicContact CZ2-CB 3.98Å; W279-D378 PolarHBondContact NE1-O 2.76Å; W279-E379 HydrophobicContact CZ2-CG 4.39Å; W279-A383 HydrophobicContact CB-CB 3.94Å; W279-A383 VanDerWaalsContact CD1-CB 3.44Å; W279-A383 HydrophobicContact CG-CB 3.89Å; W279-V385 HydrophobicContact CD2-CG2 4.48Å; W279-V385 HydrophobicContact CE3-CG2 4.07Å; W279-V385 HydrophobicContact CH2-CG2 3.13Å; W279-V385 HydrophobicContact CZ2-CG2 3.59Å; W279-V385 HydrophobicContact CZ3-CG2 3.41Å; W279-V385 VanDerWaalsContact CZ3-CG2 3.41Å
280	K	84.5	Confident	88.6	Confident	61 Å²	61	28.8 Å²	28.8	27%	0.265	15%	0.147	S	C	.	.	S	Bend	trans	-72.2	-40.6	178.6	-178.8	170.1	-175.3	145.6	0	112.3	Q276 N285 Y321 N334 E335	Q276-K280 PolarHBondContact NE2-O 3.26Å; K280-N285 PolarHBondContact N-OD1 3.08Å; K280-Y321 HydrophobicContact CB-CD1 4.49Å; K280-Y321 HydrophobicContact CB-CE1 3.67Å; K280-Y321 HydrophobicContact CB-CE2 4.3Å; K280-Y321 WeakPolarHBondContact CB-OH 3.44Å; K280-Y321 PolarHBondContact N-OH 2.81Å; K280-N334 PolarHBondContact NZ-OD1 2.92Å; K280-E335 HydrophobicContact CD-CG 4.12Å; K280-E335 IonicContact NZ-OE1 2.94Å; K280-E335 PolarHBondContact NZ-OE1 2.9Å
281	N	87	Confident	88.2	Confident	84 Å²	84	27.7 Å²	27.7	45%	0.449	14%	0.143	S	C	.	.	S	Bend	trans	-125.6	148.8	-176.8	-58	-43.4	0	0	0	110.3	N285	N281-N285 PolarHBondContact N-OD1 3.06Å; N281-N285 VanDerWaalsContact N-OD1 3.12Å; N281-N285 PolarHBondContact O-ND2 3.43Å
282	L	89.7	Confident	88.1	Confident	64 Å²	64	27.3 Å²	27.3	34%	0.335	14%	0.141	S	C	.	.	S	Bend	trans	-59.9	149.9	152.9	-69.2	169.9	0	0	0	109.4	H264 Q276 N382	H264-L282 HydrophobicContact CB-CB 4.4Å; Q276-L282 HydrophobicContact CB-CD2 3.77Å; Q276-L282 HydrophobicContact CB-CG 4.21Å; Q276-L282 HydrophobicContact CG-CD2 4.46Å; L282-N382 HydrophobicContact CD2-CB 3.82Å
283	G	91.8	Very high	87.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-138.7	-178.1	0	0	0	0	0	114.4	H264 N285 N382 A383 W384	H264-G283 WeakPolarHBondContact CD2-CA 3.2Å; G283-N285 PolarHBondContact O-N 2.87Å; G283-N285 PolarHBondContact O-ND2 2.79Å; G283-N382 WeakPolarHBondContact CA-O 3.2Å; G283-N382 PolarHBondContact N-O 3.11Å; G283-A383 WeakPolarHBondContact O-CA 3.33Å; G283-W384 PolarHBondContact O-N 2.83Å
284	E	92.1	Very high	87.8	Confident	66 Å²	66	29.5 Å²	29.5	31%	0.308	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	114.3	-173.9	-174.6	-176.6	114	0	0	111.4	Q286 W384 K386	E284-Q286 HydrophobicContact CG-CG 4.21Å; E284-Q286 VanDerWaalsContact OE1-CG 3.3Å; E284-Q286 WeakPolarHBondContact OE1-CG 3.26Å; E284-Q286 PolarHBondContact OE1-NE2 2.85Å; E284-W384 HydrophobicContact CB-CZ2 4.29Å; E284-K386 HydrophobicContact CG-CB 3.71Å; E284-K386 HydrophobicContact CG-CD 4.01Å; E284-K386 WeakPolarHBondContact OE1-CD 3.26Å; E284-K386 IonicContact OE1-NZ 2.75Å; E284-K386 PolarHBondContact OE1-NZ 2.78Å; E284-K386 WeakPolarHBondContact OE2-CD 3.38Å; E284-K386 IonicContact OE2-NZ 2.64Å; E284-K386 PolarHBondContact OE2-NZ 3.11Å
285	N	90.9	Very high	87.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	105.4	171.3	-70.3	-92.3	0	0	0	109.3	W279 K280 N281 G283 M287 Y321 W384 K386	W279-N285 HydrophobicContact CE3-CB 4.34Å; K280-N285 PolarHBondContact N-OD1 3.08Å; N281-N285 PolarHBondContact N-OD1 3.06Å; N281-N285 VanDerWaalsContact N-OD1 3.12Å; N281-N285 PolarHBondContact O-ND2 3.43Å; G283-N285 PolarHBondContact O-N 2.87Å; G283-N285 PolarHBondContact O-ND2 2.79Å; N285-M287 HydrophobicContact CB-CE 4.37Å; N285-M287 PolarHBondContact O-N 3.16Å; N285-Y321 HydrophobicContact CB-CE1 4.06Å; N285-W384 WeakPolarHBondContact CB-O 3.2Å; N285-W384 PolarHBondContact N-O 3.33Å; N285-W384 PolarHBondContact ND2-O 2.93Å; N285-K386 PolarHBondContact O-N 3.08Å
286	Q	92.1	Very high	87.7	Confident	84 Å²	84	39.6 Å²	39.6	39%	0.393	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.7	-176.9	-68.3	-168.8	19.4	0	0	111.4	E284 R322	E284-Q286 HydrophobicContact CG-CG 4.21Å; E284-Q286 VanDerWaalsContact OE1-CG 3.3Å; E284-Q286 WeakPolarHBondContact OE1-CG 3.26Å; E284-Q286 PolarHBondContact OE1-NE2 2.85Å; Q286-R322 HydrophobicContact CB-CB 4.04Å; Q286-R322 PolarHBondContact O-N 2.93Å
287	M	88.1	Confident	87.6	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.1	-177.4	-62	-164.5	173.4	0	0	113	W279 N285 M319 F320 Y321 R322 V385 K386 A387 R388	W279-M287 HydrophobicContact CE3-CE 3.8Å; W279-M287 HydrophobicContact CZ3-CE 3.42Å; W279-M287 VanDerWaalsContact CZ3-CE 3.42Å; W279-M287 HydrophobicContact CZ3-SD 4.29Å; N285-M287 HydrophobicContact CB-CE 4.37Å; N285-M287 PolarHBondContact O-N 3.16Å; M287-M319 HydrophobicContact CB-CE 4.13Å; M287-M319 HydrophobicContact CG-CE 4.32Å; M287-M319 HydrophobicContact SD-CB 3.84Å; M287-M319 HydrophobicContact SD-CE 3.32Å; M287-M319 WeakPolarHBondContact SD-CE 3.27Å; M287-M319 HydrophobicContact SD-SD 4.35Å; M287-F320 CarbonylContact C-O 3.45Å; M287-F320 VanDerWaalsContact CA-O 3.24Å; M287-F320 WeakPolarHBondContact CA-O 3.32Å; M287-Y321 HydrophobicContact CE-CD1 4.05Å; M287-Y321 HydrophobicContact CE-CD2 4.38Å; M287-Y321 HydrophobicContact CE-CE1 3.52Å; M287-Y321 HydrophobicContact CE-CE2 3.88Å; M287-Y321 HydrophobicContact CE-CG 4.45Å; M287-Y321 VanDerWaalsContact CE-CZ 3.42Å; M287-R322 PolarHBondContact O-NH2 2.51Å; M287-V385 HydrophobicContact CB-CG1 4.16Å; M287-V385 HydrophobicContact CG-CG1 4.01Å; M287-V385 HydrophobicContact SD-CG1 3.97Å; M287-V385 HydrophobicContact SD-CG2 4.45Å; M287-K386 PolarHBondContact N-O 3.34Å; M287-A387 CarbonylContact O-C 3.39Å; M287-A387 WeakPolarHBondContact O-CA 3.49Å; M287-R388 PolarHBondContact O-N 3.24Å
288	D	87.1	Confident	87.3	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.9	175.7	-80	-18.4	0	0	0	109.6	F320 R322 R388 Y390	D288-F320 PolarHBondContact N-O 3.29Å; D288-F320 PolarHBondContact O-N 3.02Å; D288-R322 IonicContact OD1-CZ 2.57Å; D288-R322 IonicContact OD1-NE 3.56Å; D288-R322 PolarHBondContact OD1-NE 3.36Å; D288-R322 IonicContact OD1-NH2 3.32Å; D288-R322 PolarHBondContact OD1-NH2 3.27Å; D288-R322 IonicContact OD2-NE 2.78Å; D288-R388 VanDerWaalsContact CG-NH2 3.26Å; D288-R388 WeakPolarHBondContact OD1-CB 3.41Å; D288-R388 IonicContact OD1-CZ 3.28Å; D288-R388 IonicContact OD1-NE 3.37Å; D288-R388 PolarHBondContact OD1-NE 2.91Å; D288-R388 IonicContact OD1-NH2 3.37Å; D288-R388 PolarHBondContact OD1-NH2 3.45Å; D288-R388 IonicContact OD2-CZ 3.88Å; D288-R388 IonicContact OD2-NE 2.98Å; D288-R388 IonicContact OD2-NH2 3.78Å; D288-R388 PolarHBondContact OD2-NH2 3.38Å; D288-Y390 HydrophobicContact CB-CE1 3.87Å
289	I	83.6	Confident	87.3	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	92.8	-178.3	-52.4	-175.7	0	0	0	107.8	L317 M319 A387 R388 V389 Y390	I289-L317 HydrophobicContact CG2-CB 3.28Å; I289-L317 HydrophobicContact CG2-CD1 3.59Å; I289-L317 HydrophobicContact CG2-CG 4.06Å; I289-M319 HydrophobicContact CD1-CE 3.95Å; I289-M319 HydrophobicContact CD1-CG 3.79Å; I289-M319 HydrophobicContact CD1-SD 4.25Å; I289-M319 HydrophobicContact CG1-CB 4.5Å; I289-M319 HydrophobicContact CG1-CG 3.97Å; I289-A387 HydrophobicContact CD1-CB 3.8Å; I289-A387 HydrophobicContact CG1-CB 4.3Å; I289-R388 PolarHBondContact N-O 2.88Å; I289-V389 HydrophobicContact CB-CG1 4.48Å; I289-V389 HydrophobicContact CB-CG2 4.16Å; I289-V389 HydrophobicContact CD1-CG2 4.2Å; I289-V389 WeakPolarHBondContact O-CA 3.37Å; I289-Y390 PolarHBondContact O-N 3.5Å; I289-Y390 VanDerWaalsContact O-N 3.12Å
290	P	85.9	Confident	87.1	Confident	11 Å²	11	48.1 Å²	48.1	7%	0.071	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.9	177.4	29.1	-30.3	0	0	0	111.6	F292 F320 A338 F342 Y390 L392	P290-F292 HydrophobicContact CB-CD2 4.47Å; P290-F292 HydrophobicContact CB-CE1 4.24Å; P290-F292 HydrophobicContact CB-CE2 3.65Å; P290-F292 HydrophobicContact CB-CZ 3.55Å; P290-F292 HydrophobicContact CG-CE2 3.87Å; P290-F292 HydrophobicContact CG-CZ 4.02Å; P290-F320 HydrophobicContact CG-CD2 4.39Å; P290-F320 HydrophobicContact CG-CE2 4.22Å; P290-A338 HydrophobicContact CG-CB 4.3Å; P290-F342 HydrophobicContact CG-CD2 4.49Å; P290-F342 HydrophobicContact CG-CE2 3.66Å; P290-F342 HydrophobicContact CG-CZ 4.34Å; P290-Y390 HydrophobicContact CB-CD2 4.32Å; P290-Y390 HydrophobicContact CB-CE1 4.43Å; P290-Y390 HydrophobicContact CB-CE2 3.58Å; P290-L392 HydrophobicContact CB-CD1 4.36Å
291	I	82.2	Confident	87.2	Confident	6 Å²	6	46 Å²	46	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.6	169	-59.2	173	0	0	0	107.7	L293 I302 L317 V389 Y390 M391 L392 V431	I291-L293 HydrophobicContact CG2-CD1 4.23Å; I291-I302 HydrophobicContact CG2-CD1 3.81Å; I291-I302 HydrophobicContact CG2-CG1 4.23Å; I291-L317 HydrophobicContact CD1-CD1 3.95Å; I291-L317 HydrophobicContact CG1-CD1 4.14Å; I291-L317 HydrophobicContact CG1-CD2 4.43Å; I291-V389 HydrophobicContact CD1-CG1 3.84Å; I291-V389 HydrophobicContact CG1-CG1 4.43Å; I291-Y390 PolarHBondContact N-O 2.74Å; I291-M391 HydrophobicContact CB-CB 4.47Å; I291-M391 HydrophobicContact CB-CG 4.47Å; I291-M391 HydrophobicContact CG2-CG 4.38Å; I291-M391 CarbonylContact O-C 3.57Å; I291-M391 VanDerWaalsContact O-CA 3.31Å; I291-M391 WeakPolarHBondContact O-CA 3.43Å; I291-L392 PolarHBondContact O-N 3.11Å; I291-V431 HydrophobicContact CD1-CG1 3.96Å; I291-V431 HydrophobicContact CD1-CG2 4.05Å
292	F	86.6	Confident	87	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.3	-175.9	-59.6	-73.9	0	0	0	111	P290 I302 M303 F342 M363 L392 I394 L400 W416	P290-F292 HydrophobicContact CB-CD2 4.47Å; P290-F292 HydrophobicContact CB-CE1 4.24Å; P290-F292 HydrophobicContact CB-CE2 3.65Å; P290-F292 HydrophobicContact CB-CZ 3.55Å; P290-F292 HydrophobicContact CG-CE2 3.87Å; P290-F292 HydrophobicContact CG-CZ 4.02Å; F292-I302 WeakPolarHBondContact O-CA 3.39Å; F292-I302 WeakPolarHBondContact O-CG1 3.34Å; F292-M303 HydrophobicContact CB-CB 3.85Å; F292-M303 HydrophobicContact CD2-CB 4.21Å; F292-M303 HydrophobicContact CD2-CE 4.46Å; F292-M303 HydrophobicContact CD2-SD 3.85Å; F292-M303 HydrophobicContact CE2-SD 4.42Å; F292-M303 PolarHBondContact O-N 3.19Å; F292-F342 HydrophobicContact CD2-CE1 4.31Å; F292-F342 HydrophobicContact CD2-CZ 4.31Å; F292-F342 AromaticContact CE2-CD1 3.99Å; F292-F342 HydrophobicContact CE2-CD1 3.99Å; F292-F342 AromaticContact CE2-CD2 3.88Å; F292-F342 HydrophobicContact CE2-CD2 3.88Å; F292-F342 AromaticContact CE2-CE1 3.58Å; F292-F342 HydrophobicContact CE2-CE1 3.58Å; F292-F342 AromaticContact CE2-CE2 3.5Å; F292-F342 HydrophobicContact CE2-CE2 3.5Å; F292-F342 VanDerWaalsContact CE2-CE2 3.5Å; F292-F342 HydrophobicContact CE2-CG 4.17Å; F292-F342 AromaticContact CE2-CZ 3.36Å; F292-F342 HydrophobicContact CE2-CZ 3.36Å; F292-F342 HydrophobicContact CZ-CD1 4.2Å; F292-F342 AromaticContact CZ-CD2 3.66Å; F292-F342 HydrophobicContact CZ-CD2 3.66Å; F292-F342 HydrophobicContact CZ-CE1 4.22Å; F292-F342 AromaticContact CZ-CE2 3.73Å; F292-F342 HydrophobicContact CZ-CE2 3.73Å; F292-F342 AromaticContact CZ-CG 3.97Å; F292-F342 HydrophobicContact CZ-CG 3.97Å; F292-F342 HydrophobicContact CZ-CZ 4.04Å; F292-M363 HydrophobicContact CE1-SD 3.83Å; F292-M363 HydrophobicContact CZ-CE 4.33Å; F292-M363 HydrophobicContact CZ-SD 4.1Å; F292-L392 HydrophobicContact CD1-CB 4.21Å; F292-L392 HydrophobicContact CD1-CD1 3.78Å; F292-L392 HydrophobicContact CD1-CG 4.44Å; F292-L392 HydrophobicContact CE1-CD1 3.66Å; F292-L392 HydrophobicContact CE1-CD2 4.33Å; F292-L392 HydrophobicContact CE1-CG 4.45Å; F292-L392 HydrophobicContact CZ-CD1 4.5Å; F292-I394 HydrophobicContact CB-CD1 3.66Å; F292-I394 HydrophobicContact CD1-CD1 3.72Å; F292-I394 HydrophobicContact CD1-CG1 4.42Å; F292-I394 HydrophobicContact CG-CD1 4.06Å; F292-L400 HydrophobicContact CD1-CD1 4.42Å; F292-L400 HydrophobicContact CE1-CD1 4.04Å; F292-L400 HydrophobicContact CE1-CD2 4.11Å; F292-W416 HydrophobicContact CB-CH2 3.91Å; F292-W416 HydrophobicContact CB-CZ3 4.28Å
293	L	86.4	Confident	86.8	Confident	22 Å²	22	39.7 Å²	39.7	12%	0.115	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.6	170.1	-61.7	104.2	0	0	0	110.1	I291 Q301 I302 M391 L392 I393 I394 L424	I291-L293 HydrophobicContact CG2-CD1 4.23Å; L293-Q301 CarbonylContact C-O 3.58Å; L293-Q301 VanDerWaalsContact CA-O 3.27Å; L293-Q301 WeakPolarHBondContact CA-O 3.01Å; L293-I302 HydrophobicContact CG-CG1 4.4Å; L293-M391 HydrophobicContact CD1-CG 3.13Å; L293-M391 HydrophobicContact CD1-SD 3.34Å; L293-M391 WeakPolarHBondContact CD1-SD 3.37Å; L293-L392 PolarHBondContact N-O 3.09Å; L293-I393 CarbonylContact O-C 3.59Å; L293-I393 WeakPolarHBondContact O-CA 3.47Å; L293-I394 PolarHBondContact O-N 2.52Å; L293-L424 HydrophobicContact CD2-CD1 4.26Å; L293-L424 HydrophobicContact CD2-CD2 3.85Å; L293-L424 HydrophobicContact CD2-CG 4.47Å
294	R	89.3	Confident	86.1	Confident	23 Å²	23	40 Å²	40	9%	0.087	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.5	170.7	72.6	177.5	-177.4	176.8	3.2	110.6	R300 Q301 I394 Y401 W416	R294-R300 WeakPolarHBondContact O-CA 3.43Å; R294-Q301 HydrophobicContact CG-CB 4.1Å; R294-Q301 VanDerWaalsContact CZ-OE1 3.26Å; R294-Q301 PolarHBondContact N-O 3.31Å; R294-Q301 PolarHBondContact O-N 3.39Å; R294-I394 HydrophobicContact CB-CB 4.28Å; R294-Y401 HydrophobicContact CB-CD2 3.99Å; R294-Y401 HydrophobicContact CB-CE2 3.88Å; R294-Y401 HydrophobicContact CG-CE2 4.27Å; R294-Y401 PolarHBondContact NH1-O 2.93Å; R294-W416 HydrophobicContact CB-CH2 4.09Å; R294-W416 HydrophobicContact CB-CZ3 4.21Å; R294-W416 HydrophobicContact CG-CD2 4.3Å; R294-W416 HydrophobicContact CG-CE3 3.92Å; R294-W416 HydrophobicContact CG-CH2 3.83Å; R294-W416 HydrophobicContact CG-CZ2 4.2Å; R294-W416 HydrophobicContact CG-CZ3 3.68Å; R294-W416 VanDerWaalsContact NH2-CG 3.35Å
295	K	88.2	Confident	85.1	Confident	130 Å²	130	38.2 Å²	38.2	57%	0.565	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.2	165.1	-175	179.3	-179.8	-178.7	0	107.5	T299 Y401	K295-T299 CarbonylContact C-O 3.57Å; K295-T299 VanDerWaalsContact CA-O 3.31Å; K295-T299 WeakPolarHBondContact CA-O 2.91Å; K295-Y401 WeakPolarHBondContact O-CE2 3.35Å; K295-Y401 PolarHBondContact O-OH 3.17Å
296	Y	88.5	Confident	83.9	Confident	86 Å²	86	41.8 Å²	41.8	34%	0.337	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.1	-179.2	-173.8	-96.3	0	0	0	109.7	G298 T299 Y401	Y296-G298 VanDerWaalsContact C-N 3.28Å; Y296-G298 PolarHBondContact O-N 3.5Å; Y296-T299 PolarHBondContact N-O 3.39Å; Y296-T299 PolarHBondContact O-N 2.75Å; Y296-T299 PolarHBondContact O-OG1 3.21Å; Y296-Y401 HydrophobicContact CD2-CE1 4.14Å; Y296-Y401 AromaticContact CD2-CZ 3.94Å; Y296-Y401 WeakPolarHBondContact CD2-OH 3.43Å
297	N	87.6	Confident	82.1	Confident	131 Å²	131	40.6 Å²	40.6	70%	0.701	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	47.1	-177.5	-68.5	-8.7	0	0	0	113.5	T299	N297-T299 PolarHBondContact O-N 2.84Å
298	G	82.5	Confident	80.1	Confident	60 Å²	60	46.5 Å²	46.5	62%	0.619	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	-16.7	179.8	0	0	0	0	0	115.2	Y296	Y296-G298 VanDerWaalsContact C-N 3.28Å; Y296-G298 PolarHBondContact O-N 3.5Å
299	T	83.1	Confident	78	Confident	60 Å²	60	55.8 Å²	55.8	37%	0.368	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	149.3	-179.5	66.8	0	0	0	0	112	K295 Y296 N297 T418	K295-T299 CarbonylContact C-O 3.57Å; K295-T299 VanDerWaalsContact CA-O 3.31Å; K295-T299 WeakPolarHBondContact CA-O 2.91Å; Y296-T299 PolarHBondContact N-O 3.39Å; Y296-T299 PolarHBondContact O-N 2.75Å; Y296-T299 PolarHBondContact O-OG1 3.21Å; N297-T299 PolarHBondContact O-N 2.84Å; T299-T418 HydrophobicContact CG2-CG2 4.29Å
300	R	82.3	Confident	75.8	Confident	109 Å²	109	62.7 Å²	62.7	41%	0.411	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.4	172.3	-66	-171.5	-174.7	165.7	-1.7	110.5	R294 Y419 D421 L424	R294-R300 WeakPolarHBondContact O-CA 3.43Å; R300-Y419 PolarHBondContact O-N 2.86Å; R300-D421 WeakPolarHBondContact CD-OD1 3.32Å; R300-D421 WeakPolarHBondContact CG-OD1 3.49Å; R300-D421 IonicContact CZ-OD1 3.77Å; R300-D421 IonicContact NE-OD1 3.8Å; R300-D421 PolarHBondContact NE-OD1 3.32Å; R300-D421 IonicContact NH1-OD1 3.02Å; R300-L424 HydrophobicContact CB-CD1 3.13Å; R300-L424 HydrophobicContact CG-CD1 4.06Å
301	Q	86.4	Confident	73.5	Confident	17 Å²	17	65.6 Å²	65.6	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.9	179.1	-60.5	-173.7	-34.3	0	0	109.8	L293 R294 W416 K417 T418	L293-Q301 CarbonylContact C-O 3.58Å; L293-Q301 VanDerWaalsContact CA-O 3.27Å; L293-Q301 WeakPolarHBondContact CA-O 3.01Å; R294-Q301 HydrophobicContact CG-CB 4.1Å; R294-Q301 VanDerWaalsContact CZ-OE1 3.26Å; R294-Q301 PolarHBondContact N-O 3.31Å; R294-Q301 PolarHBondContact O-N 3.39Å; Q301-W416 HydrophobicContact CB-CE3 3.95Å; Q301-K417 CarbonylContact C-O 3.58Å; Q301-K417 VanDerWaalsContact CA-O 3.24Å; Q301-K417 WeakPolarHBondContact CA-O 3.29Å; Q301-T418 PolarHBondContact NE2-OG1 2.66Å
302	I	82.4	Confident	71.4	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.01	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.2	170	-172.9	167.6	0	0	0	108.4	I79 I291 F292 L293 V304 K417 Y419 L424 V427	I79-I302 HydrophobicContact CD1-CD1 4.12Å; I79-I302 HydrophobicContact CD1-CG2 3.76Å; I291-I302 HydrophobicContact CG2-CD1 3.81Å; I291-I302 HydrophobicContact CG2-CG1 4.23Å; F292-I302 WeakPolarHBondContact O-CA 3.39Å; F292-I302 WeakPolarHBondContact O-CG1 3.34Å; L293-I302 HydrophobicContact CG-CG1 4.4Å; I302-V304 HydrophobicContact CG2-CG1 3.79Å; I302-V304 PolarHBondContact O-N 3.03Å; I302-K417 PolarHBondContact N-O 2.81Å; I302-K417 PolarHBondContact O-N 2.83Å; I302-Y419 HydrophobicContact CG2-CD2 3.33Å; I302-Y419 HydrophobicContact CG2-CE2 3.41Å; I302-Y419 VanDerWaalsContact CG2-CE2 3.41Å; I302-Y419 HydrophobicContact CG2-CG 4.42Å; I302-L424 HydrophobicContact CB-CD2 4.15Å; I302-L424 HydrophobicContact CG2-CD2 4.25Å; I302-V427 HydrophobicContact CD1-CG1 4.17Å
303	M	85.7	Confident	68.8	Low	12 Å²	12	75.1 Å²	75.1	6%	0.059	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.2	172.7	-168.3	174.3	-65	0	0	108.7	F292 F342 L403 L405 F414 Q415 W416	F292-M303 HydrophobicContact CB-CB 3.85Å; F292-M303 HydrophobicContact CD2-CB 4.21Å; F292-M303 HydrophobicContact CD2-CE 4.46Å; F292-M303 HydrophobicContact CD2-SD 3.85Å; F292-M303 HydrophobicContact CE2-SD 4.42Å; F292-M303 PolarHBondContact O-N 3.19Å; M303-F342 HydrophobicContact SD-CD1 4.48Å; M303-F342 HydrophobicContact SD-CE1 3.81Å; M303-L403 HydrophobicContact CE-CD1 4.15Å; M303-L405 HydrophobicContact CE-CD1 4.21Å; M303-L405 HydrophobicContact CE-CD2 4.22Å; M303-L405 HydrophobicContact SD-CD2 4.44Å; M303-F414 HydrophobicContact CG-CB 4Å; M303-F414 HydrophobicContact CG-CD1 3.72Å; M303-F414 HydrophobicContact CG-CG 4.15Å; M303-F414 HydrophobicContact SD-CB 3.98Å; M303-F414 HydrophobicContact SD-CD1 4.12Å; M303-F414 HydrophobicContact SD-CG 4.09Å; M303-Q415 WeakPolarHBondContact CA-O 3.39Å; M303-W416 HydrophobicContact CB-CD2 4.46Å; M303-W416 HydrophobicContact CB-CE3 3.97Å; M303-W416 HydrophobicContact CB-CH2 4.16Å; M303-W416 HydrophobicContact CB-CZ3 3.8Å; M303-W416 HydrophobicContact CE-CD2 4.08Å; M303-W416 HydrophobicContact CE-CE3 4.46Å; M303-W416 HydrophobicContact CE-CH2 3.63Å; M303-W416 HydrophobicContact CE-CZ2 3.15Å; M303-W416 HydrophobicContact CE-CZ3 4.26Å
304	V	76.8	Confident	66.5	Low	7 Å²	7	77.3 Å²	77.3	4%	0.042	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.2	-179.5	-58.5	0	0	0	0	109.1	I79 I302 I306 F414 Q415 K417 Y419	I79-V304 HydrophobicContact CD1-CG1 3.93Å; I79-V304 HydrophobicContact CG1-CG1 3.79Å; I302-V304 HydrophobicContact CG2-CG1 3.79Å; I302-V304 PolarHBondContact O-N 3.03Å; V304-I306 HydrophobicContact CG2-CG1 4.47Å; V304-F414 CarbonylContact O-C 3.56Å; V304-F414 WeakPolarHBondContact O-CA 3.41Å; V304-F414 WeakPolarHBondContact O-CD1 3.49Å; V304-Q415 PolarHBondContact N-O 2.92Å; V304-Q415 PolarHBondContact O-N 3.48Å; V304-K417 HydrophobicContact CG1-CB 4.45Å; V304-K417 HydrophobicContact CG2-CB 3.76Å; V304-K417 HydrophobicContact CG2-CD 4.19Å; V304-Y419 HydrophobicContact CG1-CE2 4.49Å
305	R	71.5	Confident	64.2	Low	29 Å²	29	77.4 Å²	77.4	11%	0.109	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.6	171.6	-172.6	175.9	165.9	-154.8	-11.2	109	I311 L412 F414	R305-I311 VanDerWaalsContact NH2-CB 3.3Å; R305-I311 VanDerWaalsContact NH2-CG2 3.33Å; R305-I311 PolarHBondContact NH2-O 3.46Å; R305-I311 VanDerWaalsContact NH2-O 3.08Å; R305-L412 VanDerWaalsContact CD-O 3.27Å; R305-L412 WeakPolarHBondContact CD-O 3.27Å; R305-L412 WeakPolarHBondContact CG-O 3.34Å; R305-L412 PolarHBondContact NE-O 3.32Å; R305-F414 HydrophobicContact CB-CD1 4.23Å; R305-F414 HydrophobicContact CB-CE1 4.09Å
306	I	65.7	Low	62	Low	74 Å²	74	73.3 Å²	73.3	38%	0.379	40%	0.399	S	S	.	.			trans	-93.8	113.5	169.9	-53.8	-162.2	0	0	0	107	V304 H308 G413 Q415	V304-I306 HydrophobicContact CG2-CG1 4.47Å; I306-H308 PolarHBondContact O-N 3.35Å; I306-H308 VanDerWaalsContact O-N 3.16Å; I306-G413 PolarHBondContact N-O 3.06Å; I306-Q415 HydrophobicContact CD1-CB 3.88Å; I306-Q415 HydrophobicContact CD1-CG 3.87Å; I306-Q415 HydrophobicContact CG1-CB 4.08Å; I306-Q415 HydrophobicContact CG1-CG 4.08Å
307	G	54.4	Low	60.6	Low	60 Å²	60	70.8 Å²	70.8	62%	0.619	39%	0.391	S	S	*	.			trans	-65.3	112.2	179.8	0	0	0	0	0	110.6
308	H	44.9	Very low	59.7	Low	132 Å²	132	64.8 Å²	64.8	61%	0.611	36%	0.36	S	S	*	.			trans	-76.3	133.7	147.8	-74.5	-71.4	0	0	0	107.5	I306 D310 I311	I306-H308 PolarHBondContact O-N 3.35Å; I306-H308 VanDerWaalsContact O-N 3.16Å; H308-D310 PolarHBondContact O-N 3.14Å; H308-I311 PolarHBondContact O-N 3.47Å
309	E	43.6	Very low	59.5	Low	196 Å²	196	64.1 Å²	64.1	92%	0.916	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-17	-176.2	-63.9	-178.8	164.2	0	0	114
310	D	37.8	Very low	59.7	Low	148 Å²	148	61.6 Å²	61.6	79%	0.791	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.4	-172.2	-60.6	-37.8	0	0	0	115.1	H308	H308-D310 PolarHBondContact O-N 3.14Å
311	I	37.3	Very low	60.1	Low	71 Å²	71	58.4 Å²	58.4	36%	0.364	31%	0.314	S	S	.	.			trans	-109.8	87.6	-173.8	-47.3	178.3	0	0	0	110.3	R305 H308 V313 Y411	R305-I311 VanDerWaalsContact NH2-CB 3.3Å; R305-I311 VanDerWaalsContact NH2-CG2 3.33Å; R305-I311 PolarHBondContact NH2-O 3.46Å; R305-I311 VanDerWaalsContact NH2-O 3.08Å; H308-I311 PolarHBondContact O-N 3.47Å; I311-V313 VanDerWaalsContact C-N 3.32Å; I311-V313 HydrophobicContact CG2-CG2 3.81Å; I311-V313 PolarHBondContact O-N 2.82Å; I311-Y411 WeakPolarHBondContact CD1-O 3.42Å
312	K	38.3	Very low	60.2	Low	150 Å²	150	59.6 Å²	59.6	65%	0.652	32%	0.318	S	S	*	.			trans	-55.8	90.6	168.7	-70.7	-177.7	177.9	-171.9	0	110.7	N218	N218-K312 PolarHBondContact ND2-NZ 3.2Å
313	V	33	Very low	60.6	Low	58 Å²	58	63.7 Å²	63.7	35%	0.352	34%	0.335	S	S	.	.			trans	-115.7	122.2	163.9	177.9	0	0	0	0	106.5	I311 G315	I311-V313 VanDerWaalsContact C-N 3.32Å; I311-V313 HydrophobicContact CG2-CG2 3.81Å; I311-V313 PolarHBondContact O-N 2.82Å; V313-G315 PolarHBondContact O-N 3.21Å
314	T	37.7	Very low	60.7	Low	69 Å²	69	64.3 Å²	64.3	42%	0.423	34%	0.34	S	S	.	.	S	Bend	trans	-73.7	73.7	178.5	26.7	0	0	0	0	109.9	H376 P377 D378	T314-H376 PolarHBondContact OG1-CE1 3.08Å; T314-P377 HydrophobicContact CG2-CG 4.46Å; T314-D378 PolarHBondContact OG1-OD2 3.08Å
315	G	41.5	Very low	61.2	Low	25 Å²	25	73.4 Å²	73.4	26%	0.258	38%	0.379	S	S	.	.	S	Bend	trans	141.6	170.5	165.3	0	0	0	0	0	116	V313	V313-G315 PolarHBondContact O-N 3.21Å
316	P	41.7	Very low	62	Low	44 Å²	44	74.3 Å²	74.3	29%	0.286	39%	0.39	S	S	.	.	S	Bend	trans	-67.8	-38.1	-171	5.2	-13.5	0	0	0	118.6	I79 I80 P81	I79-P316 WeakPolarHBondContact O-CB 3.29Å; I80-P316 HydrophobicContact CG2-CG 4.32Å; P81-P316 HydrophobicContact CG-CB 4.12Å; P81-P316 HydrophobicContact CG-CG 4.43Å
317	L	59.4	Low	63.1	Low	32 Å²	32	79.9 Å²	79.9	17%	0.168	41%	0.411	C	S	.	.	S	Bend	trans	-109.6	127.4	-168.3	-56.7	177.1	0	0	0	105.4	I289 I291 M319 F435	I289-L317 HydrophobicContact CG2-CB 3.28Å; I289-L317 HydrophobicContact CG2-CD1 3.59Å; I289-L317 HydrophobicContact CG2-CG 4.06Å; I291-L317 HydrophobicContact CD1-CD1 3.95Å; I291-L317 HydrophobicContact CG1-CD1 4.14Å; I291-L317 HydrophobicContact CG1-CD2 4.43Å; L317-M319 WeakPolarHBondContact O-CG 3.47Å; L317-M319 PolarHBondContact O-N 3.46Å; L317-F435 HydrophobicContact CD1-CZ 4.05Å
318	A	67.6	Low	64.6	Low	6 Å²	6	83.4 Å²	83.4	5%	0.05	41%	0.411	C	S	.	.			trans	-57.9	130.4	174.9	0	0	0	0	0	109.2	F320 L412 F414	A318-F320 HydrophobicContact CB-CE2 3.74Å; A318-F320 HydrophobicContact CB-CZ 4.04Å; A318-L412 HydrophobicContact CB-CD1 3.79Å; A318-F414 HydrophobicContact CB-CE2 4.01Å; A318-F414 HydrophobicContact CB-CZ 3.57Å
319	M	77.9	Confident	66.5	Low	45 Å²	45	82.4 Å²	82.4	22%	0.222	41%	0.407	C	S	.	.			trans	-104.7	126.1	179.1	-58.8	-179.8	66.3	0	0	107.7	M287 I289 L317 F374 V385	M287-M319 HydrophobicContact CB-CE 4.13Å; M287-M319 HydrophobicContact CG-CE 4.32Å; M287-M319 HydrophobicContact SD-CB 3.84Å; M287-M319 HydrophobicContact SD-CE 3.32Å; M287-M319 WeakPolarHBondContact SD-CE 3.27Å; M287-M319 HydrophobicContact SD-SD 4.35Å; I289-M319 HydrophobicContact CD1-CE 3.95Å; I289-M319 HydrophobicContact CD1-CG 3.79Å; I289-M319 HydrophobicContact CD1-SD 4.25Å; I289-M319 HydrophobicContact CG1-CB 4.5Å; I289-M319 HydrophobicContact CG1-CG 3.97Å; L317-M319 WeakPolarHBondContact O-CG 3.47Å; L317-M319 PolarHBondContact O-N 3.46Å; M319-F374 HydrophobicContact CE-CD1 3.77Å; M319-F374 HydrophobicContact CE-CE1 3.81Å; M319-F374 HydrophobicContact SD-CE1 4.08Å; M319-V385 HydrophobicContact CE-CG1 3.71Å
320	F	87.6	Confident	68.6	Low	8 Å²	8	76.2 Å²	76.2	4%	0.035	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.9	176.8	-60.9	-92.4	0	0	0	108.9	M287 D288 P290 A318 R322 A338 Y341 F342 L412	M287-F320 CarbonylContact C-O 3.45Å; M287-F320 VanDerWaalsContact CA-O 3.24Å; M287-F320 WeakPolarHBondContact CA-O 3.32Å; D288-F320 PolarHBondContact N-O 3.29Å; D288-F320 PolarHBondContact O-N 3.02Å; P290-F320 HydrophobicContact CG-CD2 4.39Å; P290-F320 HydrophobicContact CG-CE2 4.22Å; A318-F320 HydrophobicContact CB-CE2 3.74Å; A318-F320 HydrophobicContact CB-CZ 4.04Å; F320-R322 PolarHBondContact O-N 2.74Å; F320-A338 HydrophobicContact CB-CB 3.91Å; F320-A338 HydrophobicContact CD1-CB 4.35Å; F320-A338 HydrophobicContact CD2-CB 3.66Å; F320-A338 HydrophobicContact CE2-CB 4.26Å; F320-A338 HydrophobicContact CG-CB 3.71Å; F320-Y341 AromaticContact CE1-CD1 3.89Å; F320-Y341 HydrophobicContact CE1-CD1 3.89Å; F320-Y341 HydrophobicContact CE1-CD2 4.22Å; F320-Y341 AromaticContact CE1-CG 3.61Å; F320-Y341 HydrophobicContact CE1-CG 3.61Å; F320-Y341 AromaticContact CZ-CD1 3.65Å; F320-Y341 HydrophobicContact CZ-CD1 3.65Å; F320-Y341 HydrophobicContact CZ-CE1 4.24Å; F320-Y341 AromaticContact CZ-CG 3.89Å; F320-Y341 HydrophobicContact CZ-CG 3.89Å; F320-F342 AromaticContact CE2-CE2 3.8Å; F320-F342 HydrophobicContact CE2-CE2 3.8Å; F320-F342 HydrophobicContact CE2-CZ 4.28Å; F320-F342 AromaticContact CZ-CE2 3.88Å; F320-F342 HydrophobicContact CZ-CE2 3.88Å; F320-F342 HydrophobicContact CZ-CZ 4.22Å; F320-L412 HydrophobicContact CE1-CD1 3.9Å; F320-L412 HydrophobicContact CZ-CD1 3.56Å
321	Y	90.1	Very high	70.8	Confident	42 Å²	42	73.9 Å²	73.9	17%	0.165	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	134.9	167.8	-79.1	-82.5	0	0	0	109.1	K280 N285 M287 K323 W333 E335	K280-Y321 HydrophobicContact CB-CD1 4.49Å; K280-Y321 HydrophobicContact CB-CE1 3.67Å; K280-Y321 HydrophobicContact CB-CE2 4.3Å; K280-Y321 WeakPolarHBondContact CB-OH 3.44Å; K280-Y321 PolarHBondContact N-OH 2.81Å; N285-Y321 HydrophobicContact CB-CE1 4.06Å; M287-Y321 HydrophobicContact CE-CD1 4.05Å; M287-Y321 HydrophobicContact CE-CD2 4.38Å; M287-Y321 HydrophobicContact CE-CE1 3.52Å; M287-Y321 HydrophobicContact CE-CE2 3.88Å; M287-Y321 HydrophobicContact CE-CG 4.45Å; M287-Y321 VanDerWaalsContact CE-CZ 3.42Å; Y321-K323 PolarHBondContact O-N 3.36Å; Y321-W333 WeakPolarHBondContact O-CH2 3.04Å; Y321-E335 HydrophobicContact CD2-CG 4.32Å
322	R	89.9	Confident	73.1	Confident	42 Å²	42	77.2 Å²	77.2	16%	0.158	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-72.6	125.4	177.1	-177.1	178.6	-60.9	124.7	16.7	108.9	Q286 M287 D288 F320 W333	Q286-R322 HydrophobicContact CB-CB 4.04Å; Q286-R322 PolarHBondContact O-N 2.93Å; M287-R322 PolarHBondContact O-NH2 2.51Å; D288-R322 IonicContact OD1-CZ 2.57Å; D288-R322 IonicContact OD1-NE 3.56Å; D288-R322 PolarHBondContact OD1-NE 3.36Å; D288-R322 IonicContact OD1-NH2 3.32Å; D288-R322 PolarHBondContact OD1-NH2 3.27Å; D288-R322 IonicContact OD2-NE 2.78Å; F320-R322 PolarHBondContact O-N 2.74Å; R322-W333 WeakPolarHBondContact O-CH2 3.41Å; R322-W333 WeakPolarHBondContact O-CZ3 3.11Å
323	K	89.3	Confident	75.4	Confident	88 Å²	88	72.4 Å²	72.4	38%	0.383	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-56.1	125.2	172.7	-165.2	167.8	-169.1	161.2	0	110.2	Y321 L330 W333 D340	Y321-K323 PolarHBondContact O-N 3.36Å; K323-L330 HydrophobicContact CD-CD2 4.42Å; K323-L330 HydrophobicContact CG-CD2 3.85Å; K323-W333 HydrophobicContact CB-CZ2 4.06Å; K323-W333 HydrophobicContact CG-CD2 4.42Å; K323-W333 HydrophobicContact CG-CZ2 4.33Å; K323-D340 IonicContact NZ-OD1 3.28Å; K323-D340 IonicContact NZ-OD2 3.23Å
324	P	88.9	Confident	77.9	Confident	24 Å²	24	75.6 Å²	75.6	16%	0.156	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-66.6	159.4	-179.4	26.1	-33.4	0	0	0	110.4	E329 L330 W333	P324-E329 HydrophobicContact CB-CB 3.46Å; P324-E329 VanDerWaalsContact CB-CB 3.46Å; P324-E329 HydrophobicContact CB-CG 4.34Å; P324-E329 VanDerWaalsContact CB-OE2 3.3Å; P324-E329 WeakPolarHBondContact CB-OE2 3.44Å; P324-E329 HydrophobicContact CG-CB 3.63Å; P324-L330 HydrophobicContact CG-CD2 4.05Å; P324-L330 HydrophobicContact CG-CG 4.14Å; P324-L330 VanDerWaalsContact O-CD2 3.28Å; P324-L330 WeakPolarHBondContact O-CD2 3.29Å; P324-L330 WeakPolarHBondContact O-CG 3.3Å; P324-W333 VanDerWaalsContact CD-CD2 3.49Å; P324-W333 VanDerWaalsContact CD-CZ3 3.43Å; P324-W333 HydrophobicContact CG-CB 4.38Å; P324-W333 HydrophobicContact CG-CD2 4.25Å; P324-W333 HydrophobicContact CG-CE3 3.81Å; P324-W333 HydrophobicContact CG-CZ3 4.44Å
325	K	87.3	Confident	80.2	Confident	199 Å²	199	75.4 Å²	75.4	87%	0.865	37%	0.374	S	S	*	.			trans	-100.6	-23.4	177.1	-66.1	-176	177.6	-175.2	0	112.7
326	S	88.8	Confident	82.4	Confident	47 Å²	47	77.3 Å²	77.3	33%	0.329	38%	0.381	S	S	.	.	S	Bend	trans	-74.1	142.4	-178	76.7	0	0	0	0	109.8	E328 E329 L330	S326-E328 PolarHBondContact O-N 3.05Å; S326-E329 PolarHBondContact O-N 2.71Å; S326-E329 VanDerWaalsContact OG-CB 3.23Å; S326-E329 WeakPolarHBondContact OG-CB 3.34Å; S326-E329 WeakPolarHBondContact OG-CG 3.07Å; S326-E329 PolarHBondContact OG-N 3.25Å; S326-E329 PolarHBondContact OG-OE2 3.13Å; S326-L330 VanDerWaalsContact O-CB 3.3Å; S326-L330 WeakPolarHBondContact O-CB 3.29Å; S326-L330 WeakPolarHBondContact O-CD1 3.3Å; S326-L330 VanDerWaalsContact O-CG 3.23Å; S326-L330 WeakPolarHBondContact O-CG 3.29Å; S326-L330 PolarHBondContact O-N 3.45Å
327	K	88	Confident	84.8	Confident	192 Å²	192	75.2 Å²	75.2	84%	0.835	37%	0.367	S	S	*	.	H	α-helix	trans	-61.9	-34.3	178.8	-70.6	-174	178.5	-178.1	0	112	S331	K327-S331 PolarHBondContact O-N 2.98Å; K327-S331 VanDerWaalsContact O-N 3.14Å
328	E	86.7	Confident	86.2	Confident	133 Å²	133	73.8 Å²	73.8	62%	0.621	36%	0.36	S	S	*	.	H	α-helix	trans	-69.6	-44.8	-179.2	-170.1	-169.9	157.9	0	0	112.4	S326 L330 S331 K332	S326-E328 PolarHBondContact O-N 3.05Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-S331 PolarHBondContact O-N 3.4Å; E328-S331 PolarHBondContact O-OG 3.25Å; E328-K332 IonicContact OE1-NZ 3.88Å; E328-K332 PolarHBondContact OE1-NZ 3.34Å
329	E	84.5	Confident	87.4	Confident	112 Å²	112	74.8 Å²	74.8	52%	0.523	36%	0.364	S	S	.	.	H	α-helix	trans	-71.8	-32.8	177.1	-65.2	166.9	139.9	0	0	111.1	P324 S326 S331 K332 W333	P324-E329 HydrophobicContact CB-CB 3.46Å; P324-E329 VanDerWaalsContact CB-CB 3.46Å; P324-E329 HydrophobicContact CB-CG 4.34Å; P324-E329 VanDerWaalsContact CB-OE2 3.3Å; P324-E329 WeakPolarHBondContact CB-OE2 3.44Å; P324-E329 HydrophobicContact CG-CB 3.63Å; S326-E329 PolarHBondContact O-N 2.71Å; S326-E329 VanDerWaalsContact OG-CB 3.23Å; S326-E329 WeakPolarHBondContact OG-CB 3.34Å; S326-E329 WeakPolarHBondContact OG-CG 3.07Å; S326-E329 PolarHBondContact OG-N 3.25Å; S326-E329 PolarHBondContact OG-OE2 3.13Å; E329-S331 VanDerWaalsContact C-N 3.32Å; E329-S331 PolarHBondContact O-N 3.12Å; E329-K332 CarbonylContact O-C 3.35Å; E329-K332 PolarHBondContact O-N 2.62Å; E329-K332 VanDerWaalsContact O-N 3.17Å; E329-W333 PolarHBondContact O-N 3.06Å; E329-W333 VanDerWaalsContact O-N 3.08Å
330	L	87	Confident	88	Confident	66 Å²	66	75.1 Å²	75.1	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-34.4	175.9	-80.8	170.4	0	0	0	112.8	K323 P324 S326 E328 K332 W333	K323-L330 HydrophobicContact CD-CD2 4.42Å; K323-L330 HydrophobicContact CG-CD2 3.85Å; P324-L330 HydrophobicContact CG-CD2 4.05Å; P324-L330 HydrophobicContact CG-CG 4.14Å; P324-L330 VanDerWaalsContact O-CD2 3.28Å; P324-L330 WeakPolarHBondContact O-CD2 3.29Å; P324-L330 WeakPolarHBondContact O-CG 3.3Å; S326-L330 VanDerWaalsContact O-CB 3.3Å; S326-L330 WeakPolarHBondContact O-CB 3.29Å; S326-L330 WeakPolarHBondContact O-CD1 3.3Å; S326-L330 VanDerWaalsContact O-CG 3.23Å; S326-L330 WeakPolarHBondContact O-CG 3.29Å; S326-L330 PolarHBondContact O-N 3.45Å; E328-L330 VanDerWaalsContact C-N 3.32Å; L330-K332 PolarHBondContact O-N 2.66Å; L330-W333 WeakPolarHBondContact O-CB 3.12Å; L330-W333 PolarHBondContact O-N 3.3Å
331	S	85	Confident	88.3	Confident	99 Å²	99	75 Å²	75	69%	0.692	37%	0.366	S	S	*	.	H	α-helix	trans	-69.2	-22.6	176.2	68.6	0	0	0	0	112.8	K327 E328 E329	K327-S331 PolarHBondContact O-N 2.98Å; K327-S331 VanDerWaalsContact O-N 3.14Å; E328-S331 PolarHBondContact O-N 3.4Å; E328-S331 PolarHBondContact O-OG 3.25Å; E329-S331 VanDerWaalsContact C-N 3.32Å; E329-S331 PolarHBondContact O-N 3.12Å
332	K	84.9	Confident	88.4	Confident	141 Å²	141	73 Å²	73	61%	0.613	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	1.3	175.7	-59.8	170.5	-174.5	164.4	0	112.5	E328 E329 L330 N334	E328-K332 IonicContact OE1-NZ 3.88Å; E328-K332 PolarHBondContact OE1-NZ 3.34Å; E329-K332 CarbonylContact O-C 3.35Å; E329-K332 PolarHBondContact O-N 2.62Å; E329-K332 VanDerWaalsContact O-N 3.17Å; L330-K332 PolarHBondContact O-N 2.66Å; K332-N334 PolarHBondContact O-N 3.01Å
333	W	85.8	Confident	88.6	Confident	49 Å²	49	73.3 Å²	73.3	19%	0.186	36%	0.359	C	S	.	.			trans	-80	116.5	-173.8	179.7	-94.4	0	0	0	111.8	Y321 R322 K323 P324 E329 L330 E335	Y321-W333 WeakPolarHBondContact O-CH2 3.04Å; R322-W333 WeakPolarHBondContact O-CH2 3.41Å; R322-W333 WeakPolarHBondContact O-CZ3 3.11Å; K323-W333 HydrophobicContact CB-CZ2 4.06Å; K323-W333 HydrophobicContact CG-CD2 4.42Å; K323-W333 HydrophobicContact CG-CZ2 4.33Å; P324-W333 VanDerWaalsContact CD-CD2 3.49Å; P324-W333 VanDerWaalsContact CD-CZ3 3.43Å; P324-W333 HydrophobicContact CG-CB 4.38Å; P324-W333 HydrophobicContact CG-CD2 4.25Å; P324-W333 HydrophobicContact CG-CE3 3.81Å; P324-W333 HydrophobicContact CG-CZ3 4.44Å; E329-W333 PolarHBondContact O-N 3.06Å; E329-W333 VanDerWaalsContact O-N 3.08Å; L330-W333 WeakPolarHBondContact O-CB 3.12Å; L330-W333 PolarHBondContact O-N 3.3Å; W333-E335 HydrophobicContact CD2-CB 4.47Å; W333-E335 VanDerWaalsContact CE2-O 3.23Å; W333-E335 HydrophobicContact CE3-CG 4.49Å; W333-E335 HydrophobicContact CH2-CB 3.77Å; W333-E335 HydrophobicContact CH2-CG 4.18Å; W333-E335 HydrophobicContact CZ2-CB 3.62Å; W333-E335 HydrophobicContact CZ2-CG 4.45Å; W333-E335 WeakPolarHBondContact CZ2-O 3.23Å; W333-E335 HydrophobicContact CZ3-CB 4.22Å; W333-E335 HydrophobicContact CZ3-CG 4.18Å; W333-E335 PolarHBondContact NE1-O 3.18Å
334	N	86.7	Confident	88.8	Confident	125 Å²	125	71.2 Å²	71.2	67%	0.668	36%	0.359	S	S	*	.			trans	-124.6	4.7	179.9	64.1	-26.5	0	0	0	113.6	K280 K332	K280-N334 PolarHBondContact NZ-OD1 2.92Å; K332-N334 PolarHBondContact O-N 3.01Å
335	E	85.5	Confident	89.1	Confident	65 Å²	65	70.1 Å²	70.1	30%	0.304	35%	0.352	S	S	.	.	S	Bend	trans	-89.9	152.3	-179.2	-51.3	-61.7	155.6	0	0	111.9	K280 Y321 W333 S337	K280-E335 HydrophobicContact CD-CG 4.12Å; K280-E335 IonicContact NZ-OE1 2.94Å; K280-E335 PolarHBondContact NZ-OE1 2.9Å; Y321-E335 HydrophobicContact CD2-CG 4.32Å; W333-E335 HydrophobicContact CD2-CB 4.47Å; W333-E335 VanDerWaalsContact CE2-O 3.23Å; W333-E335 HydrophobicContact CE3-CG 4.49Å; W333-E335 HydrophobicContact CH2-CB 3.77Å; W333-E335 HydrophobicContact CH2-CG 4.18Å; W333-E335 HydrophobicContact CZ2-CB 3.62Å; W333-E335 HydrophobicContact CZ2-CG 4.45Å; W333-E335 WeakPolarHBondContact CZ2-O 3.23Å; W333-E335 HydrophobicContact CZ3-CB 4.22Å; W333-E335 HydrophobicContact CZ3-CG 4.18Å; W333-E335 PolarHBondContact NE1-O 3.18Å; E335-S337 PolarHBondContact O-N 3.11Å
336	T	88.3	Confident	89.4	Confident	65 Å²	65	61 Å²	61	40%	0.399	31%	0.312	S	S	.	.			trans	-77.7	114.2	168.5	-51.5	0	0	0	0	109.3	D340	T336-D340 HydrophobicContact CG2-CB 4.04Å
337	S	90.6	Very high	89.4	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.			trans	-73.1	163.6	170.4	69.9	0	0	0	0	111.2	E335 E339 D340 Y341	E335-S337 PolarHBondContact O-N 3.11Å; S337-E339 PolarHBondContact O-N 2.96Å; S337-D340 WeakPolarHBondContact CB-OD2 3.43Å; S337-D340 PolarHBondContact N-OD2 3.39Å; S337-D340 PolarHBondContact O-N 3.17Å; S337-D340 VanDerWaalsContact O-N 3.17Å; S337-D340 PolarHBondContact OG-N 3.11Å; S337-D340 VanDerWaalsContact OG-N 3.14Å; S337-D340 PolarHBondContact OG-OD2 2.87Å; S337-Y341 WeakPolarHBondContact O-CB 3.3Å; S337-Y341 PolarHBondContact O-N 3.5Å
338	A	90.2	Very high	89.3	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-55.6	-43.1	173.4	0	0	0	0	0	110.7	P290 F320 Y341 F342 M363	P290-A338 HydrophobicContact CG-CB 4.3Å; F320-A338 HydrophobicContact CB-CB 3.91Å; F320-A338 HydrophobicContact CD1-CB 4.35Å; F320-A338 HydrophobicContact CD2-CB 3.66Å; F320-A338 HydrophobicContact CE2-CB 4.26Å; F320-A338 HydrophobicContact CG-CB 3.71Å; A338-Y341 PolarHBondContact O-N 2.94Å; A338-F342 HydrophobicContact CB-CD2 4.48Å; A338-F342 WeakPolarHBondContact O-CD2 3.34Å; A338-F342 PolarHBondContact O-N 3.31Å; A338-M363 HydrophobicContact CB-CE 4.36Å
339	E	91.4	Very high	89.2	Confident	28 Å²	28	55.3 Å²	55.3	13%	0.131	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-45.5	177.2	-67.9	79.4	-175.2	0	0	112.2	S337 Y343 F359 L360 M363 K366	S337-E339 PolarHBondContact O-N 2.96Å; E339-Y343 WeakPolarHBondContact O-CB 3.01Å; E339-Y343 PolarHBondContact O-N 2.65Å; E339-Y343 VanDerWaalsContact O-N 3.08Å; E339-F359 WeakPolarHBondContact O-CE1 3.36Å; E339-L360 HydrophobicContact CB-CD2 3.7Å; E339-L360 HydrophobicContact CG-CD2 3.57Å; E339-M363 HydrophobicContact CG-CB 4.46Å; E339-M363 HydrophobicContact CG-CE 4.1Å; E339-M363 HydrophobicContact CG-CG 4.47Å; E339-K366 IonicContact OE1-NZ 3.06Å; E339-K366 PolarHBondContact OE1-NZ 2.76Å
340	D	91.2	Very high	89.3	Confident	52 Å²	52	54.9 Å²	54.9	28%	0.278	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-42.8	178.7	-58.1	-44.9	0	0	0	111.3	K323 T336 S337 A344	K323-D340 IonicContact NZ-OD1 3.28Å; K323-D340 IonicContact NZ-OD2 3.23Å; T336-D340 HydrophobicContact CG2-CB 4.04Å; S337-D340 WeakPolarHBondContact CB-OD2 3.43Å; S337-D340 PolarHBondContact N-OD2 3.39Å; S337-D340 PolarHBondContact O-N 3.17Å; S337-D340 VanDerWaalsContact O-N 3.17Å; S337-D340 PolarHBondContact OG-N 3.11Å; S337-D340 VanDerWaalsContact OG-N 3.14Å; S337-D340 PolarHBondContact OG-OD2 2.87Å; D340-A344 PolarHBondContact O-N 3.32Å
341	Y	93.4	Very high	89.2	Confident	4 Å²	4	56 Å²	56	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-55.9	179.7	177.4	-98.9	0	0	0	112.2	F320 S337 A338 Y343 A344 L345 N410 Y411 L412 F414	F320-Y341 AromaticContact CE1-CD1 3.89Å; F320-Y341 HydrophobicContact CE1-CD1 3.89Å; F320-Y341 HydrophobicContact CE1-CD2 4.22Å; F320-Y341 AromaticContact CE1-CG 3.61Å; F320-Y341 HydrophobicContact CE1-CG 3.61Å; F320-Y341 AromaticContact CZ-CD1 3.65Å; F320-Y341 HydrophobicContact CZ-CD1 3.65Å; F320-Y341 HydrophobicContact CZ-CE1 4.24Å; F320-Y341 AromaticContact CZ-CG 3.89Å; F320-Y341 HydrophobicContact CZ-CG 3.89Å; S337-Y341 WeakPolarHBondContact O-CB 3.3Å; S337-Y341 PolarHBondContact O-N 3.5Å; A338-Y341 PolarHBondContact O-N 2.94Å; Y341-Y343 VanDerWaalsContact C-N 3.31Å; Y341-Y343 PolarHBondContact O-N 3.15Å; Y341-A344 WeakPolarHBondContact O-CB 3.45Å; Y341-A344 PolarHBondContact O-N 2.89Å; Y341-A344 VanDerWaalsContact O-N 3.16Å; Y341-L345 HydrophobicContact CE1-CD1 3.86Å; Y341-N410 WeakPolarHBondContact OH-CA 3.46Å; Y341-N410 PolarHBondContact OH-OD1 2.92Å; Y341-Y411 HydrophobicContact CD2-CD1 4.24Å; Y341-Y411 AromaticContact CD2-CE1 3.45Å; Y341-Y411 HydrophobicContact CD2-CE1 3.45Å; Y341-Y411 VanDerWaalsContact CD2-CE1 3.45Å; Y341-Y411 AromaticContact CD2-CZ 3.73Å; Y341-Y411 AromaticContact CE2-CD1 3.71Å; Y341-Y411 HydrophobicContact CE2-CD1 3.71Å; Y341-Y411 AromaticContact CE2-CE1 3.34Å; Y341-Y411 HydrophobicContact CE2-CE1 3.34Å; Y341-Y411 HydrophobicContact CE2-CE2 4.37Å; Y341-Y411 HydrophobicContact CE2-CG 4.35Å; Y341-Y411 AromaticContact CE2-CZ 3.7Å; Y341-L412 HydrophobicContact CD1-CD1 4.43Å; Y341-L412 HydrophobicContact CD2-CD1 4.34Å; Y341-L412 HydrophobicContact CE1-CD1 3.98Å; Y341-L412 HydrophobicContact CE2-CD1 3.89Å; Y341-L412 HydrophobicContact CE2-CG 4.03Å; Y341-L412 WeakPolarHBondContact OH-CB 3.46Å; Y341-L412 PolarHBondContact OH-N 2.91Å; Y341-F414 AromaticContact CE1-CD2 3.68Å; Y341-F414 HydrophobicContact CE1-CD2 3.68Å; Y341-F414 AromaticContact CE1-CE2 3.77Å; Y341-F414 HydrophobicContact CE1-CE2 3.77Å
342	F	93.6	Very high	89.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-71.5	-26.8	-176.1	-71.8	-69.4	0	0	0	112.2	P290 F292 M303 F320 A338 A344 L345 F359 M363 L400 L403 F414	P290-F342 HydrophobicContact CG-CD2 4.49Å; P290-F342 HydrophobicContact CG-CE2 3.66Å; P290-F342 HydrophobicContact CG-CZ 4.34Å; F292-F342 HydrophobicContact CD2-CE1 4.31Å; F292-F342 HydrophobicContact CD2-CZ 4.31Å; F292-F342 AromaticContact CE2-CD1 3.99Å; F292-F342 HydrophobicContact CE2-CD1 3.99Å; F292-F342 AromaticContact CE2-CD2 3.88Å; F292-F342 HydrophobicContact CE2-CD2 3.88Å; F292-F342 AromaticContact CE2-CE1 3.58Å; F292-F342 HydrophobicContact CE2-CE1 3.58Å; F292-F342 AromaticContact CE2-CE2 3.5Å; F292-F342 HydrophobicContact CE2-CE2 3.5Å; F292-F342 VanDerWaalsContact CE2-CE2 3.5Å; F292-F342 HydrophobicContact CE2-CG 4.17Å; F292-F342 AromaticContact CE2-CZ 3.36Å; F292-F342 HydrophobicContact CE2-CZ 3.36Å; F292-F342 HydrophobicContact CZ-CD1 4.2Å; F292-F342 AromaticContact CZ-CD2 3.66Å; F292-F342 HydrophobicContact CZ-CD2 3.66Å; F292-F342 HydrophobicContact CZ-CE1 4.22Å; F292-F342 AromaticContact CZ-CE2 3.73Å; F292-F342 HydrophobicContact CZ-CE2 3.73Å; F292-F342 AromaticContact CZ-CG 3.97Å; F292-F342 HydrophobicContact CZ-CG 3.97Å; F292-F342 HydrophobicContact CZ-CZ 4.04Å; M303-F342 HydrophobicContact SD-CD1 4.48Å; M303-F342 HydrophobicContact SD-CE1 3.81Å; F320-F342 AromaticContact CE2-CE2 3.8Å; F320-F342 HydrophobicContact CE2-CE2 3.8Å; F320-F342 HydrophobicContact CE2-CZ 4.28Å; F320-F342 AromaticContact CZ-CE2 3.88Å; F320-F342 HydrophobicContact CZ-CE2 3.88Å; F320-F342 HydrophobicContact CZ-CZ 4.22Å; A338-F342 HydrophobicContact CB-CD2 4.48Å; A338-F342 WeakPolarHBondContact O-CD2 3.34Å; A338-F342 PolarHBondContact O-N 3.31Å; F342-A344 VanDerWaalsContact C-N 3.31Å; F342-L345 HydrophobicContact CD1-CD1 4.04Å; F342-L345 HydrophobicContact CE1-CD1 4.46Å; F342-L345 WeakPolarHBondContact O-CB 3.49Å; F342-L345 PolarHBondContact O-N 3Å; F342-F359 VanDerWaalsContact C-CZ 3.48Å; F342-F359 HydrophobicContact CB-CE2 4.39Å; F342-F359 HydrophobicContact CB-CZ 3.61Å; F342-M363 HydrophobicContact CD2-CE 4.48Å; F342-L400 HydrophobicContact CB-CD2 4.38Å; F342-L403 HydrophobicContact CB-CD1 4.47Å; F342-L403 HydrophobicContact CD1-CD1 3.97Å; F342-F414 HydrophobicContact CE1-CD2 4.03Å; F342-F414 HydrophobicContact CE1-CE2 4.06Å; F342-F414 HydrophobicContact CZ-CD2 4.15Å; F342-F414 AromaticContact CZ-CE2 3.69Å; F342-F414 HydrophobicContact CZ-CE2 3.69Å; F342-F414 AromaticContact CZ-CZ 4Å; F342-F414 HydrophobicContact CZ-CZ 4Å
343	Y	94	Very high	89.5	Confident	49 Å²	49	60.6 Å²	60.6	19%	0.192	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-33.9	172	-173.9	-105.2	0	0	0	112.2	E339 Y341 L345 V346 M356 F359	E339-Y343 WeakPolarHBondContact O-CB 3.01Å; E339-Y343 PolarHBondContact O-N 2.65Å; E339-Y343 VanDerWaalsContact O-N 3.08Å; Y341-Y343 VanDerWaalsContact C-N 3.31Å; Y341-Y343 PolarHBondContact O-N 3.15Å; Y343-L345 PolarHBondContact O-N 2.81Å; Y343-V346 HydrophobicContact CD2-CG2 4.1Å; Y343-V346 WeakPolarHBondContact O-CB 3.41Å; Y343-V346 WeakPolarHBondContact O-CG2 3.46Å; Y343-V346 PolarHBondContact O-N 3.08Å; Y343-M356 HydrophobicContact CD1-CE 3.23Å; Y343-M356 HydrophobicContact CD1-SD 4.28Å; Y343-M356 HydrophobicContact CD2-CE 4.09Å; Y343-M356 HydrophobicContact CD2-SD 4.08Å; Y343-M356 HydrophobicContact CE1-CE 3.57Å; Y343-M356 HydrophobicContact CE2-CB 4.28Å; Y343-M356 HydrophobicContact CE2-CE 4.37Å; Y343-M356 HydrophobicContact CE2-SD 4.38Å; Y343-M356 HydrophobicContact CG-CE 3.5Å; Y343-M356 HydrophobicContact CG-SD 4Å; Y343-M356 PolarHBondContact OH-N 3.08Å; Y343-F359 HydrophobicContact CD2-CB 3.71Å; Y343-F359 AromaticContact CD2-CD1 3.97Å; Y343-F359 HydrophobicContact CD2-CD1 3.97Å; Y343-F359 AromaticContact CD2-CD2 3.78Å; Y343-F359 HydrophobicContact CD2-CD2 3.78Å; Y343-F359 HydrophobicContact CD2-CE2 4.43Å; Y343-F359 AromaticContact CD2-CG 3.54Å; Y343-F359 HydrophobicContact CD2-CG 3.54Å; Y343-F359 HydrophobicContact CE2-CB 4.04Å; Y343-F359 HydrophobicContact CE2-CG 4.35Å; Y343-F359 HydrophobicContact CG-CD1 4.45Å; Y343-F359 HydrophobicContact CG-CG 4.41Å; Y343-F359 VanDerWaalsContact N-CZ 3.31Å
344	A	93.8	Very high	89.9	Confident	45 Å²	45	58.5 Å²	58.5	37%	0.372	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-23.7	174.6	0	0	0	0	0	112.8	D340 Y341 F342 A409	D340-A344 PolarHBondContact O-N 3.32Å; Y341-A344 WeakPolarHBondContact O-CB 3.45Å; Y341-A344 PolarHBondContact O-N 2.89Å; Y341-A344 VanDerWaalsContact O-N 3.16Å; F342-A344 VanDerWaalsContact C-N 3.31Å; A344-A409 HydrophobicContact CB-CB 4.16Å
345	L	95	Very high	90.1	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.1	176.6	-52.7	-176.3	0	0	0	113.5	Y341 F342 Y343 E347 L403 N404 L405 A409 N410	Y341-L345 HydrophobicContact CE1-CD1 3.86Å; F342-L345 HydrophobicContact CD1-CD1 4.04Å; F342-L345 HydrophobicContact CE1-CD1 4.46Å; F342-L345 WeakPolarHBondContact O-CB 3.49Å; F342-L345 PolarHBondContact O-N 3Å; Y343-L345 PolarHBondContact O-N 2.81Å; L345-E347 PolarHBondContact O-N 3.16Å; L345-L403 HydrophobicContact CB-CB 4.09Å; L345-L403 HydrophobicContact CB-CD1 4.39Å; L345-L403 HydrophobicContact CB-CD2 4.32Å; L345-L403 HydrophobicContact CB-CG 4.5Å; L345-L403 CarbonylContact O-C 3.58Å; L345-N404 PolarHBondContact O-N 2.66Å; L345-L405 HydrophobicContact CD1-CD2 3.93Å; L345-A409 HydrophobicContact CD2-CB 3.91Å; L345-N410 HydrophobicContact CD2-CB 3.8Å
346	V	93.9	Very high	90.3	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.042	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-66.2	123.4	173.1	176.9	0	0	0	0	108.5	Y343 S348 K351 C354 F359 L403	Y343-V346 HydrophobicContact CD2-CG2 4.1Å; Y343-V346 WeakPolarHBondContact O-CB 3.41Å; Y343-V346 WeakPolarHBondContact O-CG2 3.46Å; Y343-V346 PolarHBondContact O-N 3.08Å; V346-S348 PolarHBondContact O-N 2.73Å; V346-K351 HydrophobicContact CB-CG 4.43Å; V346-K351 HydrophobicContact CG1-CG 3.98Å; V346-K351 WeakPolarHBondContact O-CE 3.29Å; V346-C354 HydrophobicContact CG1-CB 3.98Å; V346-F359 HydrophobicContact CG2-CD2 3.82Å; V346-F359 HydrophobicContact CG2-CE2 3.93Å; V346-L403 HydrophobicContact CG2-CD2 3.9Å
347	E	88.6	Confident	90.5	Very high	69 Å²	69	59 Å²	59	32%	0.322	31%	0.307	S	S	.	.			trans	-49.6	135.5	175.7	-86	-171.8	-156.6	0	0	111.1	L345 S349 Y350 K351 N404	L345-E347 PolarHBondContact O-N 3.16Å; E347-S349 PolarHBondContact O-N 3.15Å; E347-S349 PolarHBondContact OE2-OG 2.95Å; E347-Y350 HydrophobicContact CB-CD2 3.66Å; E347-Y350 HydrophobicContact CB-CE2 4.47Å; E347-Y350 HydrophobicContact CG-CD2 4.45Å; E347-Y350 WeakPolarHBondContact O-CA 3.39Å; E347-Y350 PolarHBondContact O-N 3.31Å; E347-Y350 WeakPolarHBondContact OE2-CD2 3.32Å; E347-Y350 VanDerWaalsContact OE2-CE2 3.27Å; E347-Y350 WeakPolarHBondContact OE2-CE2 3.42Å; E347-K351 PolarHBondContact O-N 2.74Å; E347-N404 HydrophobicContact CG-CB 3.7Å
348	S	85.5	Confident	90.6	Very high	103 Å²	103	63.4 Å²	63.4	72%	0.72	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-55	-39.8	-177.8	49.3	0	0	0	0	112.5	V346 Y350 K351	V346-S348 PolarHBondContact O-N 2.73Å; S348-Y350 PolarHBondContact O-N 3.44Å; S348-K351 PolarHBondContact O-N 3.32Å
349	S	85	Confident	90.7	Very high	81 Å²	81	63.3 Å²	63.3	57%	0.566	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-60.5	-24.3	175.3	55.2	0	0	0	0	113.9	E347	E347-S349 PolarHBondContact O-N 3.15Å; E347-S349 PolarHBondContact OE2-OG 2.95Å
350	Y	86.8	Confident	90.7	Very high	102 Å²	102	64.5 Å²	64.5	40%	0.4	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-100.9	-10.6	-178.6	-73.6	-88.8	0	0	0	113.7	E347 S348 E352 K353 C354	E347-Y350 HydrophobicContact CB-CD2 3.66Å; E347-Y350 HydrophobicContact CB-CE2 4.47Å; E347-Y350 HydrophobicContact CG-CD2 4.45Å; E347-Y350 WeakPolarHBondContact O-CA 3.39Å; E347-Y350 PolarHBondContact O-N 3.31Å; E347-Y350 WeakPolarHBondContact OE2-CD2 3.32Å; E347-Y350 VanDerWaalsContact OE2-CE2 3.27Å; E347-Y350 WeakPolarHBondContact OE2-CE2 3.42Å; S348-Y350 PolarHBondContact O-N 3.44Å; Y350-E352 PolarHBondContact O-N 3.18Å; Y350-K353 CarbonylContact O-C 3.59Å; Y350-K353 PolarHBondContact O-N 2.95Å; Y350-C354 VanDerWaalsContact O-CB 3.32Å; Y350-C354 WeakPolarHBondContact O-CB 3.36Å; Y350-C354 PolarHBondContact O-N 3.07Å
351	K	85	Confident	90.6	Very high	89 Å²	89	64.6 Å²	64.6	39%	0.387	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.4	-177.2	-72.8	-173.5	179.9	-178.1	0	113.8	V346 E347 S348 C354	V346-K351 HydrophobicContact CB-CG 4.43Å; V346-K351 HydrophobicContact CG1-CG 3.98Å; V346-K351 WeakPolarHBondContact O-CE 3.29Å; E347-K351 PolarHBondContact O-N 2.74Å; S348-K351 PolarHBondContact O-N 3.32Å; K351-C354 CarbonylContact O-C 3.58Å
352	E	85.8	Confident	90.5	Very high	181 Å²	181	66.6 Å²	66.6	85%	0.846	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-38.6	174.1	-65.1	-174.8	172.5	0	0	112.3	Y350	Y350-E352 PolarHBondContact O-N 3.18Å
353	K	90.3	Very high	90.2	Very high	156 Å²	156	66.7 Å²	66.7	68%	0.678	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-22.2	178.9	-66.9	-179.6	-177.9	173.3	0	113.1	Y350 K358	Y350-K353 CarbonylContact O-C 3.59Å; Y350-K353 PolarHBondContact O-N 2.95Å; K353-K358 WeakPolarHBondContact O-CD 3.29Å; K353-K358 PolarHBondContact O-NZ 3.1Å
354	C	92.9	Very high	89.6	Confident	6 Å²	6	72.1 Å²	72.1	4%	0.041	38%	0.377	C	S	.	.	S	Bend	trans	-113.3	73.6	-179.8	-177.3	0	0	0	0	109.2	V346 Y350 K351 C399	V346-C354 HydrophobicContact CG1-CB 3.98Å; Y350-C354 VanDerWaalsContact O-CB 3.32Å; Y350-C354 WeakPolarHBondContact O-CB 3.36Å; Y350-C354 PolarHBondContact O-N 3.07Å; K351-C354 CarbonylContact O-C 3.58Å; C354-C399 WeakPolarHBondContact CA-SG 3.24Å; C354-C399 HydrophobicContact CB-CB 4.13Å; C354-C399 WeakPolarHBondContact CB-SG 3.38Å; C354-C399 WeakPolarHBondContact SG-CB 3.36Å; C354-C399 CovalentContact SG-SG 2.02Å; C354-C399 PolarHBondContact SG-SG 2.92Å
355	T	91.8	Very high	88	Confident	70 Å²	70	72.9 Å²	72.9	43%	0.429	39%	0.389	S	S	.	.			trans	-62.6	155.7	172.7	64.8	0	0	0	0	110.2	D357 K358 F359	T355-D357 PolarHBondContact O-N 3.02Å; T355-K358 PolarHBondContact O-N 3.17Å; T355-K358 VanDerWaalsContact O-N 3.07Å; T355-K358 PolarHBondContact OG1-N 3.39Å; T355-F359 PolarHBondContact O-N 2.89Å
356	M	90.3	Very high	86.6	Confident	64 Å²	64	74.5 Å²	74.5	32%	0.315	40%	0.396	S	S	.	.	H	α-helix	trans	-52.1	-41.8	174.5	179.9	59.8	80.8	0	0	111.7	Y343 K358 F359 L360	Y343-M356 HydrophobicContact CD1-CE 3.23Å; Y343-M356 HydrophobicContact CD1-SD 4.28Å; Y343-M356 HydrophobicContact CD2-CE 4.09Å; Y343-M356 HydrophobicContact CD2-SD 4.08Å; Y343-M356 HydrophobicContact CE1-CE 3.57Å; Y343-M356 HydrophobicContact CE2-CB 4.28Å; Y343-M356 HydrophobicContact CE2-CE 4.37Å; Y343-M356 HydrophobicContact CE2-SD 4.38Å; Y343-M356 HydrophobicContact CG-CE 3.5Å; Y343-M356 HydrophobicContact CG-SD 4Å; Y343-M356 PolarHBondContact OH-N 3.08Å; M356-K358 PolarHBondContact O-N 3.01Å; M356-F359 WeakPolarHBondContact O-CB 3.33Å; M356-F359 PolarHBondContact O-N 2.77Å; M356-L360 HydrophobicContact CG-CD1 3.91Å; M356-L360 HydrophobicContact CG-CG 4.21Å; M356-L360 WeakPolarHBondContact O-CB 3.27Å; M356-L360 WeakPolarHBondContact O-CG 3.28Å; M356-L360 PolarHBondContact O-N 2.78Å; M356-L360 HydrophobicContact SD-CD1 4.13Å; M356-L360 HydrophobicContact SD-CD2 4.3Å; M356-L360 HydrophobicContact SD-CG 3.91Å
357	D	91.8	Very high	85.2	Confident	131 Å²	131	80.3 Å²	80.3	70%	0.701	42%	0.417	S	S	*	.	H	α-helix	trans	-62.7	-41.8	178.6	-71.2	-29.1	0	0	0	112.8	T355 L360 A361	T355-D357 PolarHBondContact O-N 3.02Å; D357-L360 PolarHBondContact O-N 2.87Å; D357-A361 WeakPolarHBondContact O-CB 3.43Å; D357-A361 PolarHBondContact O-N 3.37Å
358	K	92	Very high	84.2	Confident	92 Å²	92	83.6 Å²	83.6	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-66.6	-43.6	175.7	-175.2	178.3	173.7	-176	0	111.1	K353 T355 M356 L360 A361 D362	K353-K358 WeakPolarHBondContact O-CD 3.29Å; K353-K358 PolarHBondContact O-NZ 3.1Å; T355-K358 PolarHBondContact O-N 3.17Å; T355-K358 VanDerWaalsContact O-N 3.07Å; T355-K358 PolarHBondContact OG1-N 3.39Å; M356-K358 PolarHBondContact O-N 3.01Å; K358-L360 PolarHBondContact O-N 3.23Å; K358-A361 WeakPolarHBondContact O-CB 3.43Å; K358-A361 PolarHBondContact O-N 2.83Å; K358-A361 VanDerWaalsContact O-N 3.16Å; K358-D362 PolarHBondContact O-N 2.86Å
359	F	93	Very high	83.7	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-59	-46.2	175.7	-178.9	-87.7	0	0	0	111.9	E339 F342 Y343 V346 T355 M356 A361 D362 M363 C399 L400	E339-F359 WeakPolarHBondContact O-CE1 3.36Å; F342-F359 VanDerWaalsContact C-CZ 3.48Å; F342-F359 HydrophobicContact CB-CE2 4.39Å; F342-F359 HydrophobicContact CB-CZ 3.61Å; Y343-F359 HydrophobicContact CD2-CB 3.71Å; Y343-F359 AromaticContact CD2-CD1 3.97Å; Y343-F359 HydrophobicContact CD2-CD1 3.97Å; Y343-F359 AromaticContact CD2-CD2 3.78Å; Y343-F359 HydrophobicContact CD2-CD2 3.78Å; Y343-F359 HydrophobicContact CD2-CE2 4.43Å; Y343-F359 AromaticContact CD2-CG 3.54Å; Y343-F359 HydrophobicContact CD2-CG 3.54Å; Y343-F359 HydrophobicContact CE2-CB 4.04Å; Y343-F359 HydrophobicContact CE2-CG 4.35Å; Y343-F359 HydrophobicContact CG-CD1 4.45Å; Y343-F359 HydrophobicContact CG-CG 4.41Å; Y343-F359 VanDerWaalsContact N-CZ 3.31Å; V346-F359 HydrophobicContact CG2-CD2 3.82Å; V346-F359 HydrophobicContact CG2-CE2 3.93Å; T355-F359 PolarHBondContact O-N 2.89Å; M356-F359 WeakPolarHBondContact O-CB 3.33Å; M356-F359 PolarHBondContact O-N 2.77Å; F359-A361 VanDerWaalsContact C-N 3.28Å; F359-A361 PolarHBondContact O-N 2.95Å; F359-D362 PolarHBondContact O-N 3.12Å; F359-M363 HydrophobicContact CD1-CG 4.07Å; F359-M363 HydrophobicContact CE1-CG 3.58Å; F359-M363 HydrophobicContact CZ-CG 4.02Å; F359-M363 HydrophobicContact CZ-SD 4.49Å; F359-M363 WeakPolarHBondContact O-CG 2.99Å; F359-M363 PolarHBondContact O-N 3.41Å; F359-C399 HydrophobicContact CB-CB 4.39Å; F359-C399 HydrophobicContact CD2-CB 3.82Å; F359-L400 HydrophobicContact CD2-CD2 4.38Å; F359-L400 HydrophobicContact CE2-CD2 3.43Å; F359-L400 VanDerWaalsContact CE2-CD2 3.43Å; F359-L400 HydrophobicContact CE2-CG 4.16Å; F359-L400 HydrophobicContact CZ-CD2 3.57Å
360	L	91.1	Very high	83.1	Confident	52 Å²	52	77.2 Å²	77.2	27%	0.272	38%	0.381	S	S	.	.	H	α-helix	trans	-64.5	-33	176.8	-70.4	175.7	0	0	0	112	E339 M356 D357 K358 M363 K364	E339-L360 HydrophobicContact CB-CD2 3.7Å; E339-L360 HydrophobicContact CG-CD2 3.57Å; M356-L360 HydrophobicContact CG-CD1 3.91Å; M356-L360 HydrophobicContact CG-CG 4.21Å; M356-L360 WeakPolarHBondContact O-CB 3.27Å; M356-L360 WeakPolarHBondContact O-CG 3.28Å; M356-L360 PolarHBondContact O-N 2.78Å; M356-L360 HydrophobicContact SD-CD1 4.13Å; M356-L360 HydrophobicContact SD-CD2 4.3Å; M356-L360 HydrophobicContact SD-CG 3.91Å; D357-L360 PolarHBondContact O-N 2.87Å; K358-L360 PolarHBondContact O-N 3.23Å; L360-M363 PolarHBondContact O-N 2.74Å; L360-K364 VanDerWaalsContact O-CG 3.24Å; L360-K364 WeakPolarHBondContact O-CG 3.35Å; L360-K364 PolarHBondContact O-N 2.98Å
361	A	90.1	Very high	83	Confident	54 Å²	54	78.7 Å²	78.7	45%	0.446	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-44.8	173.4	0	0	0	0	0	111.8	D357 K358 F359 M363 K364	D357-A361 WeakPolarHBondContact O-CB 3.43Å; D357-A361 PolarHBondContact O-N 3.37Å; K358-A361 WeakPolarHBondContact O-CB 3.43Å; K358-A361 PolarHBondContact O-N 2.83Å; K358-A361 VanDerWaalsContact O-N 3.16Å; F359-A361 VanDerWaalsContact C-N 3.28Å; F359-A361 PolarHBondContact O-N 2.95Å; A361-M363 VanDerWaalsContact C-N 3.31Å; A361-M363 PolarHBondContact O-N 3.32Å; A361-K364 WeakPolarHBondContact O-CB 3.25Å; A361-K364 PolarHBondContact O-N 2.76Å
362	D	89.8	Confident	83	Confident	46 Å²	46	77.2 Å²	77.2	25%	0.246	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-42.4	174.5	-73.9	-5.1	0	0	0	111.3	K358 F359 K364 G365 S398 C399 L400	K358-D362 PolarHBondContact O-N 2.86Å; F359-D362 PolarHBondContact O-N 3.12Å; D362-K364 PolarHBondContact O-N 2.8Å; D362-G365 PolarHBondContact O-N 2.95Å; D362-S398 VanDerWaalsContact CG-OG 3.22Å; D362-S398 WeakPolarHBondContact OD2-CA 3.48Å; D362-S398 VanDerWaalsContact OD2-CB 3.3Å; D362-S398 WeakPolarHBondContact OD2-CB 3.24Å; D362-S398 PolarHBondContact OD2-OG 2.83Å; D362-C399 WeakPolarHBondContact OD2-CB 3.49Å; D362-C399 PolarHBondContact OD2-N 2.94Å; D362-L400 HydrophobicContact CB-CD1 4.2Å
363	M	88	Confident	83	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-29.9	173.5	-76.2	-69	-86	0	0	112.1	F292 A338 E339 F342 F359 L360 A361 G365 K366 L392 L400	F292-M363 HydrophobicContact CE1-SD 3.83Å; F292-M363 HydrophobicContact CZ-CE 4.33Å; F292-M363 HydrophobicContact CZ-SD 4.1Å; A338-M363 HydrophobicContact CB-CE 4.36Å; E339-M363 HydrophobicContact CG-CB 4.46Å; E339-M363 HydrophobicContact CG-CE 4.1Å; E339-M363 HydrophobicContact CG-CG 4.47Å; F342-M363 HydrophobicContact CD2-CE 4.48Å; F359-M363 HydrophobicContact CD1-CG 4.07Å; F359-M363 HydrophobicContact CE1-CG 3.58Å; F359-M363 HydrophobicContact CZ-CG 4.02Å; F359-M363 HydrophobicContact CZ-SD 4.49Å; F359-M363 WeakPolarHBondContact O-CG 2.99Å; F359-M363 PolarHBondContact O-N 3.41Å; L360-M363 PolarHBondContact O-N 2.74Å; A361-M363 VanDerWaalsContact C-N 3.31Å; A361-M363 PolarHBondContact O-N 3.32Å; M363-G365 VanDerWaalsContact C-N 3.31Å; M363-G365 PolarHBondContact O-N 3.45Å; M363-K366 WeakPolarHBondContact O-CD 3.44Å; M363-K366 WeakPolarHBondContact O-CE 3.46Å; M363-K366 WeakPolarHBondContact O-CG 3.25Å; M363-L392 HydrophobicContact SD-CD2 4.1Å; M363-L400 HydrophobicContact CG-CD1 4.23Å; M363-L400 HydrophobicContact CG-CD2 4.49Å; M363-L400 HydrophobicContact SD-CD1 3.8Å; M363-L400 HydrophobicContact SD-CD2 3.98Å
364	K	80.2	Confident	82.5	Confident	163 Å²	163	63.2 Å²	63.2	71%	0.709	33%	0.326	S	S	*	.	H	α-helix	trans	-72	-16.8	-179.2	-80.1	168	-173.3	172.5	0	114.2	L360 A361 D362 K366	L360-K364 VanDerWaalsContact O-CG 3.24Å; L360-K364 WeakPolarHBondContact O-CG 3.35Å; L360-K364 PolarHBondContact O-N 2.98Å; A361-K364 WeakPolarHBondContact O-CB 3.25Å; A361-K364 PolarHBondContact O-N 2.76Å; D362-K364 PolarHBondContact O-N 2.8Å; K364-K366 PolarHBondContact O-N 2.94Å
365	G	61.8	Low	81.6	Confident	61 Å²	61	63 Å²	63	63%	0.629	32%	0.324	S	S	*	.			trans	-67.2	31.7	-179.7	0	0	0	0	0	116	D362 M363 R367	D362-G365 PolarHBondContact O-N 2.95Å; M363-G365 VanDerWaalsContact C-N 3.31Å; M363-G365 PolarHBondContact O-N 3.45Å; G365-R367 PolarHBondContact O-N 3.13Å
366	K	65.6	Low	80.9	Confident	35 Å²	35	60.1 Å²	60.1	15%	0.152	31%	0.306	C	S	.	.			trans	-75.6	117.8	-166.3	-57.2	-175.5	-179.5	-165.4	0	111.1	E339 M363 K364 K368 Y390	E339-K366 IonicContact OE1-NZ 3.06Å; E339-K366 PolarHBondContact OE1-NZ 2.76Å; M363-K366 WeakPolarHBondContact O-CD 3.44Å; M363-K366 WeakPolarHBondContact O-CE 3.46Å; M363-K366 WeakPolarHBondContact O-CG 3.25Å; K364-K366 PolarHBondContact O-N 2.94Å; K366-K368 PolarHBondContact O-N 3.23Å; K366-Y390 HydrophobicContact CB-CD2 4.09Å; K366-Y390 HydrophobicContact CB-CG 4.22Å; K366-Y390 HydrophobicContact CD-CD1 4.09Å; K366-Y390 HydrophobicContact CD-CD2 3.3Å; K366-Y390 HydrophobicContact CD-CE1 4.27Å; K366-Y390 HydrophobicContact CD-CE2 3.48Å; K366-Y390 VanDerWaalsContact CD-CE2 3.48Å; K366-Y390 HydrophobicContact CD-CG 3.61Å; K366-Y390 HydrophobicContact CG-CD2 3.5Å; K366-Y390 VanDerWaalsContact CG-CD2 3.5Å; K366-Y390 HydrophobicContact CG-CE2 4.02Å; K366-Y390 HydrophobicContact CG-CG 4.01Å; K366-Y390 VanDerWaalsContact NZ-CE2 3.3Å; K366-Y390 PolarHBondContact NZ-OH 3.39Å
367	R	64.8	Low	80.2	Confident	130 Å²	130	59.2 Å²	59.2	49%	0.491	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	103.8	154.3	-171	177.5	-179.2	-169.1	-2.3	106.9	G365 I369 M391 E428	G365-R367 PolarHBondContact O-N 3.13Å; R367-I369 PolarHBondContact O-N 3.49Å; R367-M391 PolarHBondContact N-O 3.42Å; R367-M391 VanDerWaalsContact N-O 3.16Å; R367-M391 PolarHBondContact O-N 2.84Å; R367-E428 IonicContact CZ-OE1 2.66Å; R367-E428 VanDerWaalsContact NH1-CD 3.3Å; R367-E428 IonicContact NH1-OE1 3.68Å; R367-E428 PolarHBondContact NH1-OE1 2.79Å; R367-E428 IonicContact NH1-OE2 3.08Å; R367-E428 PolarHBondContact NH1-OE2 2.83Å; R367-E428 IonicContact NH2-OE1 3.17Å; R367-E428 PolarHBondContact NH2-OE1 2.62Å
368	K	67.4	Low	79.7	Confident	137 Å²	137	53.5 Å²	53.5	60%	0.596	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	119.7	175.9	-64.5	174.2	-171.5	161.5	0	108.1	K366	K366-K368 PolarHBondContact O-N 3.23Å
369	I	73.3	Confident	79.4	Confident	27 Å²	27	49.1 Å²	49.1	14%	0.138	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-42.6	175.4	-60.2	174.1	0	0	0	109.5	R367 V389 M391 V431 K432	R367-I369 PolarHBondContact O-N 3.49Å; I369-V389 PolarHBondContact N-O 3.12Å; I369-M391 HydrophobicContact CD1-CB 3.47Å; I369-M391 VanDerWaalsContact CD1-CB 3.47Å; I369-M391 HydrophobicContact CD1-CG 4.37Å; I369-M391 HydrophobicContact CD1-SD 4.12Å; I369-M391 HydrophobicContact CG1-CB 4.19Å; I369-V431 HydrophobicContact CD1-CG1 3.94Å; I369-V431 HydrophobicContact CG2-CG1 3.91Å; I369-K432 HydrophobicContact CG2-CG 3.91Å
370	F	73.7	Confident	79.3	Confident	24 Å²	24	49.1 Å²	49.1	11%	0.105	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.5	-175.8	-175.4	-102.2	0	0	0	111.2	S372 Y373 F374 R388 V389 F435 Q441	F370-S372 WeakPolarHBondContact CE1-O 3.38Å; F370-Y373 WeakPolarHBondContact CZ-O 3.41Å; F370-F374 HydrophobicContact CE1-CB 4.43Å; F370-R388 CarbonylContact O-C 3.46Å; F370-R388 VanDerWaalsContact O-CA 3.32Å; F370-R388 WeakPolarHBondContact O-CA 3.47Å; F370-V389 HydrophobicContact CB-CB 3.87Å; F370-V389 HydrophobicContact CB-CG2 3.93Å; F370-V389 HydrophobicContact CD1-CG2 4.13Å; F370-V389 HydrophobicContact CG-CG2 4.46Å; F370-V389 PolarHBondContact N-O 2.83Å; F370-V389 VanDerWaalsContact N-O 3.11Å; F370-V389 PolarHBondContact O-N 3.04Å; F370-F435 HydrophobicContact CB-CB 4.12Å; F370-F435 HydrophobicContact CD1-CD1 4.42Å; F370-F435 HydrophobicContact CD2-CB 3.91Å; F370-F435 WeakPolarHBondContact CD2-O 3.42Å; F370-F435 HydrophobicContact CE2-CB 4.49Å; F370-F435 WeakPolarHBondContact CE2-O 3.43Å; F370-F435 HydrophobicContact CG-CB 3.96Å; F370-Q441 VanDerWaalsContact CZ-NE2 3.32Å
371	K	84.8	Confident	79.3	Confident	132 Å²	132	47 Å²	47	57%	0.574	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-155.4	79.1	173.5	-171.3	-166.5	173.5	-165.7	0	109.8	A387 R388	K371-A387 WeakPolarHBondContact CA-O 3.41Å; K371-R388 HydrophobicContact CG-CB 4.41Å
372	S	85	Confident	79.5	Confident	58 Å²	58	45.1 Å²	45.1	41%	0.406	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-172.1	176.9	-157.4	0	0	0	0	110.8	F370 F374 K386 A387	F370-S372 WeakPolarHBondContact CE1-O 3.38Å; S372-F374 PolarHBondContact O-N 3.03Å; S372-K386 WeakPolarHBondContact O-CA 3.35Å; S372-K386 WeakPolarHBondContact O-CG 3.39Å; S372-A387 PolarHBondContact N-O 3.19Å; S372-A387 PolarHBondContact O-N 3.36Å; S372-A387 VanDerWaalsContact O-N 3.13Å
373	Y	85.1	Confident	79.6	Confident	20 Å²	20	42.9 Å²	42.9	8%	0.078	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.3	131.3	166.3	-178.3	-82.3	0	0	0	110.1	N266 P267 E268 R269 F370 E379 W384	N266-Y373 PolarHBondContact ND2-OH 3.37Å; N266-Y373 WeakPolarHBondContact OD1-CE2 3.43Å; N266-Y373 PolarHBondContact OD1-OH 2.59Å; P267-Y373 HydrophobicContact CG-CD2 4.16Å; P267-Y373 HydrophobicContact CG-CE2 4.36Å; E268-Y373 HydrophobicContact CB-CD2 4.35Å; E268-Y373 HydrophobicContact CB-CE1 4.15Å; E268-Y373 HydrophobicContact CB-CE2 3.93Å; E268-Y373 HydrophobicContact CG-CD1 3.64Å; E268-Y373 HydrophobicContact CG-CD2 3.39Å; E268-Y373 HydrophobicContact CG-CE1 3.76Å; E268-Y373 HydrophobicContact CG-CE2 3.47Å; E268-Y373 VanDerWaalsContact CG-CE2 3.47Å; E268-Y373 HydrophobicContact CG-CG 3.46Å; E268-Y373 VanDerWaalsContact CG-CG 3.46Å; R269-Y373 PolarHBondContact NH1-OH 2.95Å; F370-Y373 WeakPolarHBondContact CZ-O 3.41Å; Y373-E379 PolarHBondContact OH-OE1 2.77Å; Y373-E379 PolarHBondContact OH-OE2 3.44Å; Y373-W384 HydrophobicContact CD2-CB 4.48Å; Y373-W384 AromaticContact CD2-CD1 3.77Å; Y373-W384 HydrophobicContact CD2-CG 4.31Å; Y373-W384 HydrophobicContact CE2-CB 3.73Å; Y373-W384 AromaticContact CE2-CD1 3.84Å; Y373-W384 AromaticContact CE2-CG 3.91Å; Y373-W384 HydrophobicContact CE2-CG 3.91Å
374	F	79	Confident	79.7	Confident	23 Å²	23	44.2 Å²	44.2	10%	0.101	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	109	-179.8	177.6	-103.2	0	0	0	108.7	M319 F370 S372 H376 V385 A387 F435	M319-F374 HydrophobicContact CE-CD1 3.77Å; M319-F374 HydrophobicContact CE-CE1 3.81Å; M319-F374 HydrophobicContact SD-CE1 4.08Å; F370-F374 HydrophobicContact CE1-CB 4.43Å; S372-F374 PolarHBondContact O-N 3.03Å; F374-H376 HydrophobicContact CD1-CB 4.14Å; F374-H376 HydrophobicContact CE1-CB 4.25Å; F374-H376 PolarHBondContact O-N 3.36Å; F374-V385 HydrophobicContact CB-CB 4.29Å; F374-V385 HydrophobicContact CB-CG1 4.01Å; F374-V385 HydrophobicContact CD1-CB 4.33Å; F374-V385 HydrophobicContact CD1-CG1 4.02Å; F374-V385 HydrophobicContact CG-CG1 4.46Å; F374-V385 PolarHBondContact N-O 3.47Å; F374-A387 HydrophobicContact CB-CB 3.52Å; F374-A387 HydrophobicContact CD1-CB 4.36Å; F374-A387 HydrophobicContact CD2-CB 4.16Å; F374-A387 HydrophobicContact CG-CB 3.74Å; F374-F435 AromaticContact CD2-CD1 3.96Å; F374-F435 HydrophobicContact CD2-CD1 3.96Å; F374-F435 AromaticContact CD2-CE1 3.93Å; F374-F435 HydrophobicContact CD2-CE1 3.93Å; F374-F435 AromaticContact CE2-CD1 3.7Å; F374-F435 HydrophobicContact CE2-CD1 3.7Å; F374-F435 AromaticContact CE2-CE1 3.3Å; F374-F435 HydrophobicContact CE2-CE1 3.3Å; F374-F435 HydrophobicContact CE2-CZ 4.31Å; F374-F435 HydrophobicContact CZ-CE1 4.18Å
375	S	75.5	Confident	80.1	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.007	19%	0.186	C	C	.	.			trans	-59.6	103.5	178.1	-173.4	0	0	0	0	109.8	R269 E379 T445	R269-S375 VanDerWaalsContact CZ-OG 3.31Å; R269-S375 PolarHBondContact NH1-OG 2.93Å; R269-S375 PolarHBondContact NH2-OG 2.79Å; S375-E379 WeakPolarHBondContact CA-OE2 3.47Å; S375-T445 WeakPolarHBondContact CB-OG1 3.5Å; S375-T445 WeakPolarHBondContact O-CB 3.26Å; S375-T445 WeakPolarHBondContact O-CG2 3.35Å; S375-T445 PolarHBondContact O-OG1 2.04Å; S375-T445 PolarHBondContact OG-OG1 3.24Å
376	H	76.9	Confident	81.4	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.046	17%	0.169	C	C	.	.			trans	-106.1	142.5	179.2	-171.8	-80.7	0	0	0	109.9	W279 T314 F374 D378 E379 V385	W279-H376 HydrophobicContact CH2-CB 4.03Å; W279-H376 AromaticContact CH2-CD2 3.8Å; W279-H376 AromaticContact CH2-CE1 3.51Å; W279-H376 AromaticContact CH2-CG 3.46Å; W279-H376 VanDerWaalsContact CH2-CG 3.46Å; W279-H376 AromaticContact CH2-ND1 3.24Å; W279-H376 WeakPolarHBondContact CH2-ND1 3.26Å; W279-H376 AromaticContact CH2-NE2 3.84Å; W279-H376 HydrophobicContact CZ2-CB 4.07Å; W279-H376 AromaticContact CZ2-CE1 3.98Å; W279-H376 AromaticContact CZ2-CG 3.78Å; W279-H376 AromaticContact CZ2-ND1 3.36Å; W279-H376 WeakPolarHBondContact CZ2-ND1 3.41Å; T314-H376 PolarHBondContact OG1-CE1 3.08Å; F374-H376 HydrophobicContact CD1-CB 4.14Å; F374-H376 HydrophobicContact CE1-CB 4.25Å; F374-H376 PolarHBondContact O-N 3.36Å; H376-D378 IonicContact CE1-OD2 3.66Å; H376-D378 PolarHBondContact CE1-OD2 3.4Å; H376-D378 PolarHBondContact ND1-N 2.76Å; H376-D378 VanDerWaalsContact ND1-N 3.11Å; H376-D378 IonicContact ND1-OD2 2.78Å; H376-D378 PolarHBondContact O-N 2.75Å; H376-D378 VanDerWaalsContact O-N 3.11Å; H376-E379 HydrophobicContact CB-CG 3.79Å; H376-E379 VanDerWaalsContact N-CD 3.25Å; H376-E379 PolarHBondContact N-OE2 3.36Å; H376-E379 VanDerWaalsContact N-OE2 3.12Å; H376-E379 VanDerWaalsContact O-CG 3.29Å; H376-E379 WeakPolarHBondContact O-CG 3.13Å; H376-E379 PolarHBondContact O-N 3.49Å; H376-V385 HydrophobicContact CB-CB 4.38Å; H376-V385 HydrophobicContact CB-CG2 3.89Å
377	P	74.2	Confident	82.3	Confident	46 Å²	46	35 Å²	35	30%	0.299	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.3	179.9	17.1	-31.8	0	0	0	113.4	R223 T314 T445	R223-P377 PolarHBondContact NH2-O 3.23Å; T314-P377 HydrophobicContact CG2-CG 4.46Å; P377-T445 WeakPolarHBondContact CA-O 3.24Å; P377-T445 VanDerWaalsContact CB-O 3.29Å; P377-T445 WeakPolarHBondContact CB-O 3.27Å
378	D	81.5	Confident	83.3	Confident	10 Å²	10	31.1 Å²	31.1	5%	0.053	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	12	-174.5	-54.1	-47.6	0	0	0	114.2	Y216 A217 I278 W279 T314 H376	Y216-D378 HydrophobicContact CE2-CB 4.08Å; Y216-D378 WeakPolarHBondContact CE2-O 3.25Å; Y216-D378 PolarHBondContact OH-O 2.71Å; A217-D378 HydrophobicContact CB-CB 4.38Å; I278-D378 HydrophobicContact CD1-CB 3.7Å; I278-D378 HydrophobicContact CG1-CB 4.05Å; W279-D378 HydrophobicContact CZ2-CB 3.98Å; W279-D378 PolarHBondContact NE1-O 2.76Å; T314-D378 PolarHBondContact OG1-OD2 3.08Å; H376-D378 IonicContact CE1-OD2 3.66Å; H376-D378 PolarHBondContact CE1-OD2 3.4Å; H376-D378 PolarHBondContact ND1-N 2.76Å; H376-D378 VanDerWaalsContact ND1-N 3.11Å; H376-D378 IonicContact ND1-OD2 2.78Å; H376-D378 PolarHBondContact O-N 2.75Å; H376-D378 VanDerWaalsContact O-N 3.11Å
379	E	86.6	Confident	83.9	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.119	C	C	.	.			trans	-63.3	142.3	175	-65.4	-179.4	126.9	0	0	111.9	R223 R269 T271 W279 Y373 S375 H376 W384 V385	R223-E379 PolarHBondContact NH1-O 2.69Å; R223-E379 PolarHBondContact NH2-O 2.78Å; R269-E379 IonicContact CZ-OE2 3.58Å; R269-E379 IonicContact NH1-OE2 3.79Å; R269-E379 IonicContact NH2-OE2 2.76Å; R269-E379 PolarHBondContact NH2-OE2 2.67Å; T271-E379 WeakPolarHBondContact CB-O 3.3Å; T271-E379 HydrophobicContact CG2-CB 4.4Å; T271-E379 PolarHBondContact OG1-O 3.41Å; W279-E379 HydrophobicContact CZ2-CG 4.39Å; Y373-E379 PolarHBondContact OH-OE1 2.77Å; Y373-E379 PolarHBondContact OH-OE2 3.44Å; S375-E379 WeakPolarHBondContact CA-OE2 3.47Å; H376-E379 HydrophobicContact CB-CG 3.79Å; H376-E379 VanDerWaalsContact N-CD 3.25Å; H376-E379 PolarHBondContact N-OE2 3.36Å; H376-E379 VanDerWaalsContact N-OE2 3.12Å; H376-E379 VanDerWaalsContact O-CG 3.29Å; H376-E379 WeakPolarHBondContact O-CG 3.13Å; H376-E379 PolarHBondContact O-N 3.49Å; E379-W384 HydrophobicContact CG-CB 4.36Å; E379-W384 WeakPolarHBondContact OE1-CB 3.24Å; E379-V385 PolarHBondContact OE1-N 3.39Å; E379-V385 VanDerWaalsContact OE1-N 3.13Å
380	T	90.6	Very high	84.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.			trans	-108.4	177.9	173.8	72.9	0	0	0	0	110.1	Y216 N266 T271 I273 G275 N382 A383	Y216-T380 HydrophobicContact CE2-CG2 4.17Å; Y216-T380 WeakPolarHBondContact OH-CG2 3.24Å; N266-T380 PolarHBondContact ND2-O 3.33Å; T271-T380 VanDerWaalsContact CG2-C 3.47Å; T271-T380 VanDerWaalsContact CG2-O 3.26Å; T271-T380 WeakPolarHBondContact CG2-O 3.37Å; T271-T380 VanDerWaalsContact OG1-CA 3.24Å; T271-T380 WeakPolarHBondContact OG1-CA 3.39Å; I273-T380 HydrophobicContact CG2-CG2 4.04Å; G275-T380 VanDerWaalsContact O-CB 3.24Å; G275-T380 WeakPolarHBondContact O-CB 3.47Å; G275-T380 PolarHBondContact O-OG1 2.71Å; T380-N382 PolarHBondContact O-N 2.87Å; T380-N382 PolarHBondContact OG1-N 2.98Å; T380-N382 VanDerWaalsContact OG1-N 3.12Å; T380-A383 PolarHBondContact N-O 3.49Å; T380-A383 PolarHBondContact OG1-N 2.91Å; T380-A383 PolarHBondContact OG1-O 3.16Å
381	D	92.3	Very high	84.8	Confident	6 Å²	6	22.8 Å²	22.8	3%	0.032	11%	0.111	C	C	.	.	S	Bend	trans	-64.7	-17.2	171.9	-73.7	10.5	0	0	0	112.4	W233 Y240 V265 N266 T271 G272 I273 A274	W233-D381 HydrophobicContact CH2-CB 4.29Å; W233-D381 HydrophobicContact CZ2-CB 4.4Å; Y240-D381 VanDerWaalsContact CE1-OD2 3.24Å; Y240-D381 WeakPolarHBondContact CE1-OD2 3.49Å; Y240-D381 VanDerWaalsContact CZ-OD2 3.26Å; Y240-D381 PolarHBondContact OH-OD1 3.08Å; Y240-D381 PolarHBondContact OH-OD2 2.94Å; V265-D381 CarbonylContact C-O 3.56Å; V265-D381 WeakPolarHBondContact CA-O 3.49Å; N266-D381 WeakPolarHBondContact CB-O 3.43Å; N266-D381 PolarHBondContact N-O 3.37Å; T271-D381 WeakPolarHBondContact CA-OD1 3.33Å; T271-D381 WeakPolarHBondContact CB-OD1 3.47Å; T271-D381 PolarHBondContact N-OD1 3.22Å; T271-D381 PolarHBondContact OG1-N 3.11Å; T271-D381 PolarHBondContact OG1-OD1 2.92Å; G272-D381 PolarHBondContact N-OD1 3.34Å; I273-D381 PolarHBondContact O-N 3.22Å; A274-D381 HydrophobicContact CB-CB 4.45Å
382	N	93	Very high	84.9	Confident	15 Å²	15	16.7 Å²	16.7	8%	0.08	9%	0.085	C	C	.	.	S	Bend	trans	-123	-9.4	-173.1	-49.2	99.3	0	0	0	113.9	H249 H264 A274 G275 L282 G283 T380	H249-N382 PolarHBondContact CE1-ND2 3.16Å; H249-N382 PolarHBondContact NE2-ND2 3.01Å; H249-N382 PolarHBondContact NE2-OD1 2.98Å; H264-N382 WeakPolarHBondContact CB-O 3.44Å; H264-N382 WeakPolarHBondContact O-CA 3.16Å; H264-N382 PolarHBondContact O-ND2 2.93Å; A274-N382 WeakPolarHBondContact CA-OD1 3.33Å; G275-N382 PolarHBondContact N-OD1 3.4Å; L282-N382 HydrophobicContact CD2-CB 3.82Å; G283-N382 WeakPolarHBondContact CA-O 3.2Å; G283-N382 PolarHBondContact N-O 3.11Å; T380-N382 PolarHBondContact O-N 2.87Å; T380-N382 PolarHBondContact OG1-N 2.98Å; T380-N382 VanDerWaalsContact OG1-N 3.12Å
383	A	92	Very high	84.9	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.3	179.3	0	0	0	0	0	110.5	W279 G283 T380	W279-A383 HydrophobicContact CB-CB 3.94Å; W279-A383 VanDerWaalsContact CD1-CB 3.44Å; W279-A383 HydrophobicContact CG-CB 3.89Å; G283-A383 WeakPolarHBondContact O-CA 3.33Å; T380-A383 PolarHBondContact N-O 3.49Å; T380-A383 PolarHBondContact OG1-N 2.91Å; T380-A383 PolarHBondContact OG1-O 3.16Å
384	W	91.1	Very high	85.1	Confident	29 Å²	29	19.7 Å²	19.7	11%	0.11	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	169.2	-174.8	62.1	91.9	0	0	0	111.3	H264 V265 N266 P267 G283 E284 N285 Y373 E379	H264-W384 HydrophobicContact CB-CH2 4.42Å; H264-W384 HydrophobicContact CB-CZ3 4.2Å; V265-W384 VanDerWaalsContact C-CZ3 3.49Å; V265-W384 WeakPolarHBondContact O-CH2 3.22Å; V265-W384 WeakPolarHBondContact O-CZ3 3.23Å; N266-W384 VanDerWaalsContact CA-CE3 3.47Å; N266-W384 HydrophobicContact CB-CE3 4.01Å; P267-W384 HydrophobicContact CG-CZ2 4.28Å; G283-W384 PolarHBondContact O-N 2.83Å; E284-W384 HydrophobicContact CB-CZ2 4.29Å; N285-W384 WeakPolarHBondContact CB-O 3.2Å; N285-W384 PolarHBondContact N-O 3.33Å; N285-W384 PolarHBondContact ND2-O 2.93Å; Y373-W384 HydrophobicContact CD2-CB 4.48Å; Y373-W384 AromaticContact CD2-CD1 3.77Å; Y373-W384 HydrophobicContact CD2-CG 4.31Å; Y373-W384 HydrophobicContact CE2-CB 3.73Å; Y373-W384 AromaticContact CE2-CD1 3.84Å; Y373-W384 AromaticContact CE2-CG 3.91Å; Y373-W384 HydrophobicContact CE2-CG 3.91Å; E379-W384 HydrophobicContact CG-CB 4.36Å; E379-W384 WeakPolarHBondContact OE1-CB 3.24Å
385	V	87.3	Confident	85.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.3	-176.7	-178.4	0	0	0	0	111.1	W279 M287 M319 F374 H376 E379 A387	W279-V385 HydrophobicContact CD2-CG2 4.48Å; W279-V385 HydrophobicContact CE3-CG2 4.07Å; W279-V385 HydrophobicContact CH2-CG2 3.13Å; W279-V385 HydrophobicContact CZ2-CG2 3.59Å; W279-V385 HydrophobicContact CZ3-CG2 3.41Å; W279-V385 VanDerWaalsContact CZ3-CG2 3.41Å; M287-V385 HydrophobicContact CB-CG1 4.16Å; M287-V385 HydrophobicContact CG-CG1 4.01Å; M287-V385 HydrophobicContact SD-CG1 3.97Å; M287-V385 HydrophobicContact SD-CG2 4.45Å; M319-V385 HydrophobicContact CE-CG1 3.71Å; F374-V385 HydrophobicContact CB-CB 4.29Å; F374-V385 HydrophobicContact CB-CG1 4.01Å; F374-V385 HydrophobicContact CD1-CB 4.33Å; F374-V385 HydrophobicContact CD1-CG1 4.02Å; F374-V385 HydrophobicContact CG-CG1 4.46Å; F374-V385 PolarHBondContact N-O 3.47Å; H376-V385 HydrophobicContact CB-CB 4.38Å; H376-V385 HydrophobicContact CB-CG2 3.89Å; E379-V385 PolarHBondContact OE1-N 3.39Å; E379-V385 VanDerWaalsContact OE1-N 3.13Å; V385-A387 HydrophobicContact CG1-CB 4.45Å
386	K	90.1	Very high	86.4	Confident	65 Å²	65	28.4 Å²	28.4	28%	0.283	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	103.2	162.7	-170.6	178.5	-164.6	167.2	0	110	E284 N285 M287 S372	E284-K386 HydrophobicContact CG-CB 3.71Å; E284-K386 HydrophobicContact CG-CD 4.01Å; E284-K386 WeakPolarHBondContact OE1-CD 3.26Å; E284-K386 IonicContact OE1-NZ 2.75Å; E284-K386 PolarHBondContact OE1-NZ 2.78Å; E284-K386 WeakPolarHBondContact OE2-CD 3.38Å; E284-K386 IonicContact OE2-NZ 2.64Å; E284-K386 PolarHBondContact OE2-NZ 3.11Å; N285-K386 PolarHBondContact O-N 3.08Å; M287-K386 PolarHBondContact N-O 3.34Å; S372-K386 WeakPolarHBondContact O-CA 3.35Å; S372-K386 WeakPolarHBondContact O-CG 3.39Å
387	A	84.3	Confident	87	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	142.2	-178.3	0	0	0	0	0	111.4	M287 I289 K371 S372 F374 V385	M287-A387 CarbonylContact O-C 3.39Å; M287-A387 WeakPolarHBondContact O-CA 3.49Å; I289-A387 HydrophobicContact CD1-CB 3.8Å; I289-A387 HydrophobicContact CG1-CB 4.3Å; K371-A387 WeakPolarHBondContact CA-O 3.41Å; S372-A387 PolarHBondContact N-O 3.19Å; S372-A387 PolarHBondContact O-N 3.36Å; S372-A387 VanDerWaalsContact O-N 3.13Å; F374-A387 HydrophobicContact CB-CB 3.52Å; F374-A387 HydrophobicContact CD1-CB 4.36Å; F374-A387 HydrophobicContact CD2-CB 4.16Å; F374-A387 HydrophobicContact CG-CB 3.74Å; V385-A387 HydrophobicContact CG1-CB 4.45Å
388	R	85.7	Confident	87.9	Confident	49 Å²	49	32 Å²	32	19%	0.185	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.8	159.1	177.3	179.7	65.9	166.8	3.7	107.3	M287 D288 I289 F370 K371 Y390	M287-R388 PolarHBondContact O-N 3.24Å; D288-R388 VanDerWaalsContact CG-NH2 3.26Å; D288-R388 WeakPolarHBondContact OD1-CB 3.41Å; D288-R388 IonicContact OD1-CZ 3.28Å; D288-R388 IonicContact OD1-NE 3.37Å; D288-R388 PolarHBondContact OD1-NE 2.91Å; D288-R388 IonicContact OD1-NH2 3.37Å; D288-R388 PolarHBondContact OD1-NH2 3.45Å; D288-R388 IonicContact OD2-CZ 3.88Å; D288-R388 IonicContact OD2-NE 2.98Å; D288-R388 IonicContact OD2-NH2 3.78Å; D288-R388 PolarHBondContact OD2-NH2 3.38Å; I289-R388 PolarHBondContact N-O 2.88Å; F370-R388 CarbonylContact O-C 3.46Å; F370-R388 VanDerWaalsContact O-CA 3.32Å; F370-R388 WeakPolarHBondContact O-CA 3.47Å; K371-R388 HydrophobicContact CG-CB 4.41Å; R388-Y390 HydrophobicContact CG-CD1 4.06Å; R388-Y390 WeakPolarHBondContact O-CD1 3.47Å
389	V	81	Confident	88.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.5	172.8	-169.5	0	0	0	0	108.2	I289 I291 I369 F370 V431 F435	I289-V389 HydrophobicContact CB-CG1 4.48Å; I289-V389 HydrophobicContact CB-CG2 4.16Å; I289-V389 HydrophobicContact CD1-CG2 4.2Å; I289-V389 WeakPolarHBondContact O-CA 3.37Å; I291-V389 HydrophobicContact CD1-CG1 3.84Å; I291-V389 HydrophobicContact CG1-CG1 4.43Å; I369-V389 PolarHBondContact N-O 3.12Å; F370-V389 HydrophobicContact CB-CB 3.87Å; F370-V389 HydrophobicContact CB-CG2 3.93Å; F370-V389 HydrophobicContact CD1-CG2 4.13Å; F370-V389 HydrophobicContact CG-CG2 4.46Å; F370-V389 PolarHBondContact N-O 2.83Å; F370-V389 VanDerWaalsContact N-O 3.11Å; F370-V389 PolarHBondContact O-N 3.04Å; V389-V431 HydrophobicContact CG1-CG1 4.13Å; V389-F435 HydrophobicContact CG2-CD1 3.71Å; V389-F435 HydrophobicContact CG2-CE1 3.6Å; V389-F435 HydrophobicContact CG2-CG 4.47Å; V389-F435 HydrophobicContact CG2-CZ 4.31Å
390	Y	81.9	Confident	88.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.7	-179.7	54.2	-82.8	0	0	0	110.9	D288 I289 P290 I291 K366 R388 L392	D288-Y390 HydrophobicContact CB-CE1 3.87Å; I289-Y390 PolarHBondContact O-N 3.5Å; I289-Y390 VanDerWaalsContact O-N 3.12Å; P290-Y390 HydrophobicContact CB-CD2 4.32Å; P290-Y390 HydrophobicContact CB-CE1 4.43Å; P290-Y390 HydrophobicContact CB-CE2 3.58Å; I291-Y390 PolarHBondContact N-O 2.74Å; K366-Y390 HydrophobicContact CB-CD2 4.09Å; K366-Y390 HydrophobicContact CB-CG 4.22Å; K366-Y390 HydrophobicContact CD-CD1 4.09Å; K366-Y390 HydrophobicContact CD-CD2 3.3Å; K366-Y390 HydrophobicContact CD-CE1 4.27Å; K366-Y390 HydrophobicContact CD-CE2 3.48Å; K366-Y390 VanDerWaalsContact CD-CE2 3.48Å; K366-Y390 HydrophobicContact CD-CG 3.61Å; K366-Y390 HydrophobicContact CG-CD2 3.5Å; K366-Y390 VanDerWaalsContact CG-CD2 3.5Å; K366-Y390 HydrophobicContact CG-CE2 4.02Å; K366-Y390 HydrophobicContact CG-CG 4.01Å; K366-Y390 VanDerWaalsContact NZ-CE2 3.3Å; K366-Y390 PolarHBondContact NZ-OH 3.39Å; R388-Y390 HydrophobicContact CG-CD1 4.06Å; R388-Y390 WeakPolarHBondContact O-CD1 3.47Å; Y390-L392 HydrophobicContact CD2-CD1 3.42Å; Y390-L392 VanDerWaalsContact CD2-CD1 3.42Å; Y390-L392 HydrophobicContact CD2-CG 4.23Å; Y390-L392 HydrophobicContact CE2-CD1 3.61Å
391	M	82.2	Confident	88.7	Confident	13 Å²	13	33 Å²	33	6%	0.064	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.6	-179.9	-174.7	175	74.3	0	0	109.3	I291 L293 R367 I369 E428	I291-M391 HydrophobicContact CB-CB 4.47Å; I291-M391 HydrophobicContact CB-CG 4.47Å; I291-M391 HydrophobicContact CG2-CG 4.38Å; I291-M391 CarbonylContact O-C 3.57Å; I291-M391 VanDerWaalsContact O-CA 3.31Å; I291-M391 WeakPolarHBondContact O-CA 3.43Å; L293-M391 HydrophobicContact CD1-CG 3.13Å; L293-M391 HydrophobicContact CD1-SD 3.34Å; L293-M391 WeakPolarHBondContact CD1-SD 3.37Å; R367-M391 PolarHBondContact N-O 3.42Å; R367-M391 VanDerWaalsContact N-O 3.16Å; R367-M391 PolarHBondContact O-N 2.84Å; I369-M391 HydrophobicContact CD1-CB 3.47Å; I369-M391 VanDerWaalsContact CD1-CB 3.47Å; I369-M391 HydrophobicContact CD1-CG 4.37Å; I369-M391 HydrophobicContact CD1-SD 4.12Å; I369-M391 HydrophobicContact CG1-CB 4.19Å; M391-E428 HydrophobicContact CE-CG 4.2Å
392	L	87	Confident	88.5	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.2	174.9	-54.1	91.3	0	0	0	108.9	P290 I291 F292 L293 M363 Y390 I394 L400	P290-L392 HydrophobicContact CB-CD1 4.36Å; I291-L392 PolarHBondContact O-N 3.11Å; F292-L392 HydrophobicContact CD1-CB 4.21Å; F292-L392 HydrophobicContact CD1-CD1 3.78Å; F292-L392 HydrophobicContact CD1-CG 4.44Å; F292-L392 HydrophobicContact CE1-CD1 3.66Å; F292-L392 HydrophobicContact CE1-CD2 4.33Å; F292-L392 HydrophobicContact CE1-CG 4.45Å; F292-L392 HydrophobicContact CZ-CD1 4.5Å; L293-L392 PolarHBondContact N-O 3.09Å; M363-L392 HydrophobicContact SD-CD2 4.1Å; Y390-L392 HydrophobicContact CD2-CD1 3.42Å; Y390-L392 VanDerWaalsContact CD2-CD1 3.42Å; Y390-L392 HydrophobicContact CD2-CG 4.23Å; Y390-L392 HydrophobicContact CE2-CD1 3.61Å; L392-I394 HydrophobicContact CB-CG1 4.38Å; L392-L400 HydrophobicContact CD2-CD1 4.08Å
393	I	85.8	Confident	88.6	Confident	132 Å²	132	35.6 Å²	35.6	68%	0.677	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.5	166.6	-59.4	173.3	0	0	0	105.8	L293 P395	L293-I393 CarbonylContact O-C 3.59Å; L293-I393 WeakPolarHBondContact O-CA 3.47Å; I393-P395 WeakPolarHBondContact O-CD 3.24Å
394	I	89.6	Confident	88.6	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.3	-170.4	-61.6	159.3	0	0	0	109	F292 L293 R294 L392 L400 Y401 W416	F292-I394 HydrophobicContact CB-CD1 3.66Å; F292-I394 HydrophobicContact CD1-CD1 3.72Å; F292-I394 HydrophobicContact CD1-CG1 4.42Å; F292-I394 HydrophobicContact CG-CD1 4.06Å; L293-I394 PolarHBondContact O-N 2.52Å; R294-I394 HydrophobicContact CB-CB 4.28Å; L392-I394 HydrophobicContact CB-CG1 4.38Å; I394-L400 HydrophobicContact CD1-CB 3.82Å; I394-L400 HydrophobicContact CG1-CB 4.01Å; I394-L400 HydrophobicContact CG1-CD1 4.36Å; I394-L400 HydrophobicContact CG2-CB 3.87Å; I394-Y401 HydrophobicContact CG2-CD2 4.07Å; I394-Y401 HydrophobicContact CG2-CG 4.46Å; I394-W416 HydrophobicContact CD1-CH2 3.68Å; I394-W416 HydrophobicContact CD1-CZ2 4.27Å
395	P	90.8	Very high	88.7	Confident	69 Å²	69	38 Å²	38	45%	0.448	20%	0.199	S	C	.	.			trans	-74.1	157.9	171.2	32	-34.8	0	0	0	111.1	I393 T397 S398	I393-P395 WeakPolarHBondContact O-CD 3.24Å; P395-T397 PolarHBondContact O-N 2.81Å; P395-S398 VanDerWaalsContact O-CB 3.25Å; P395-S398 WeakPolarHBondContact O-CB 2.95Å; P395-S398 PolarHBondContact O-N 2.57Å
396	E	90.4	Very high	88.8	Confident	139 Å²	139	45.3 Å²	45.3	65%	0.65	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.8	177	-66.1	-176.6	-169.6	0	0	113.7	S398 Y401	E396-S398 VanDerWaalsContact C-N 3.3Å; E396-S398 PolarHBondContact O-N 2.85Å; E396-Y401 HydrophobicContact CB-CE1 4.33Å; E396-Y401 HydrophobicContact CB-CE2 4.36Å; E396-Y401 HydrophobicContact CG-CD2 4.41Å; E396-Y401 HydrophobicContact CG-CE1 4.05Å; E396-Y401 HydrophobicContact CG-CE2 3.76Å
397	T	90	Very high	88.8	Confident	119 Å²	119	43.4 Å²	43.4	73%	0.73	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.2	179.6	54.2	0	0	0	0	114.1	P395	P395-T397 PolarHBondContact O-N 2.81Å
398	S	92.1	Very high	88.9	Confident	13 Å²	13	49.4 Å²	49.4	9%	0.091	28%	0.277	C	S	.	.	S	Bend	trans	-78.5	145.2	-176.1	176.4	0	0	0	0	112.3	D362 P395 E396 L400 Y401	D362-S398 VanDerWaalsContact CG-OG 3.22Å; D362-S398 WeakPolarHBondContact OD2-CA 3.48Å; D362-S398 VanDerWaalsContact OD2-CB 3.3Å; D362-S398 WeakPolarHBondContact OD2-CB 3.24Å; D362-S398 PolarHBondContact OD2-OG 2.83Å; P395-S398 VanDerWaalsContact O-CB 3.25Å; P395-S398 WeakPolarHBondContact O-CB 2.95Å; P395-S398 PolarHBondContact O-N 2.57Å; E396-S398 VanDerWaalsContact C-N 3.3Å; E396-S398 PolarHBondContact O-N 2.85Å; S398-L400 PolarHBondContact O-N 3.44Å; S398-L400 PolarHBondContact OG-N 3.3Å; S398-L400 VanDerWaalsContact OG-N 3.09Å; S398-Y401 VanDerWaalsContact O-CB 3.27Å; S398-Y401 WeakPolarHBondContact O-CB 3.41Å; S398-Y401 PolarHBondContact O-N 3.16Å
399	C	92.9	Very high	89.1	Confident	14 Å²	14	48.8 Å²	48.8	10%	0.095	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-31.7	165.1	-80.7	0	0	0	0	114.5	C354 F359 D362 Y401	C354-C399 WeakPolarHBondContact CA-SG 3.24Å; C354-C399 HydrophobicContact CB-CB 4.13Å; C354-C399 WeakPolarHBondContact CB-SG 3.38Å; C354-C399 WeakPolarHBondContact SG-CB 3.36Å; C354-C399 CovalentContact SG-SG 2.02Å; C354-C399 PolarHBondContact SG-SG 2.92Å; F359-C399 HydrophobicContact CB-CB 4.39Å; F359-C399 HydrophobicContact CD2-CB 3.82Å; D362-C399 WeakPolarHBondContact OD2-CB 3.49Å; D362-C399 PolarHBondContact OD2-N 2.94Å; C399-Y401 VanDerWaalsContact C-N 3.29Å
400	L	91.7	Very high	89.6	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.7	-177.9	-65.2	163.9	0	0	0	112.6	F292 F342 F359 D362 M363 L392 I394 S398 L403	F292-L400 HydrophobicContact CD1-CD1 4.42Å; F292-L400 HydrophobicContact CE1-CD1 4.04Å; F292-L400 HydrophobicContact CE1-CD2 4.11Å; F342-L400 HydrophobicContact CB-CD2 4.38Å; F359-L400 HydrophobicContact CD2-CD2 4.38Å; F359-L400 HydrophobicContact CE2-CD2 3.43Å; F359-L400 VanDerWaalsContact CE2-CD2 3.43Å; F359-L400 HydrophobicContact CE2-CG 4.16Å; F359-L400 HydrophobicContact CZ-CD2 3.57Å; D362-L400 HydrophobicContact CB-CD1 4.2Å; M363-L400 HydrophobicContact CG-CD1 4.23Å; M363-L400 HydrophobicContact CG-CD2 4.49Å; M363-L400 HydrophobicContact SD-CD1 3.8Å; M363-L400 HydrophobicContact SD-CD2 3.98Å; L392-L400 HydrophobicContact CD2-CD1 4.08Å; I394-L400 HydrophobicContact CD1-CB 3.82Å; I394-L400 HydrophobicContact CG1-CB 4.01Å; I394-L400 HydrophobicContact CG1-CD1 4.36Å; I394-L400 HydrophobicContact CG2-CB 3.87Å; S398-L400 PolarHBondContact O-N 3.44Å; S398-L400 PolarHBondContact OG-N 3.3Å; S398-L400 VanDerWaalsContact OG-N 3.09Å; L400-L403 HydrophobicContact CD2-CD1 4.23Å
401	Y	92.3	Very high	89.7	Confident	14 Å²	14	55.1 Å²	55.1	6%	0.055	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-43.4	-170.6	-170.4	-98.4	0	0	0	112.1	R294 K295 Y296 I394 E396 S398 C399	R294-Y401 HydrophobicContact CB-CD2 3.99Å; R294-Y401 HydrophobicContact CB-CE2 3.88Å; R294-Y401 HydrophobicContact CG-CE2 4.27Å; R294-Y401 PolarHBondContact NH1-O 2.93Å; K295-Y401 WeakPolarHBondContact O-CE2 3.35Å; K295-Y401 PolarHBondContact O-OH 3.17Å; Y296-Y401 HydrophobicContact CD2-CE1 4.14Å; Y296-Y401 AromaticContact CD2-CZ 3.94Å; Y296-Y401 WeakPolarHBondContact CD2-OH 3.43Å; I394-Y401 HydrophobicContact CG2-CD2 4.07Å; I394-Y401 HydrophobicContact CG2-CG 4.46Å; E396-Y401 HydrophobicContact CB-CE1 4.33Å; E396-Y401 HydrophobicContact CB-CE2 4.36Å; E396-Y401 HydrophobicContact CG-CD2 4.41Å; E396-Y401 HydrophobicContact CG-CE1 4.05Å; E396-Y401 HydrophobicContact CG-CE2 3.76Å; S398-Y401 VanDerWaalsContact O-CB 3.27Å; S398-Y401 WeakPolarHBondContact O-CB 3.41Å; S398-Y401 PolarHBondContact O-N 3.16Å; C399-Y401 VanDerWaalsContact C-N 3.29Å
402	N	88.5	Confident	89.6	Confident	65 Å²	65	55.3 Å²	55.3	35%	0.348	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	57.6	-178.4	-65.3	-35.7	0	0	0	111.4
403	L	93	Very high	89.5	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.063	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-68.4	139.4	171.5	-61.4	-177.2	0	0	0	110.5	M303 F342 L345 V346 L400 L405	M303-L403 HydrophobicContact CE-CD1 4.15Å; F342-L403 HydrophobicContact CB-CD1 4.47Å; F342-L403 HydrophobicContact CD1-CD1 3.97Å; L345-L403 HydrophobicContact CB-CB 4.09Å; L345-L403 HydrophobicContact CB-CD1 4.39Å; L345-L403 HydrophobicContact CB-CD2 4.32Å; L345-L403 HydrophobicContact CB-CG 4.5Å; L345-L403 CarbonylContact O-C 3.58Å; V346-L403 HydrophobicContact CG2-CD2 3.9Å; L400-L403 HydrophobicContact CD2-CD1 4.23Å; L403-L405 HydrophobicContact CB-CD2 3.96Å; L403-L405 HydrophobicContact CB-CG 4.5Å; L403-L405 PolarHBondContact O-N 2.79Å
404	N	93.9	Very high	89.5	Confident	58 Å²	58	50 Å²	50	31%	0.31	29%	0.285	S	S	.	.			trans	-76	88.4	171.1	-172.6	-4.1	0	0	0	109.8	L345 E347 D406 A407	L345-N404 PolarHBondContact O-N 2.66Å; E347-N404 HydrophobicContact CG-CB 3.7Å; N404-D406 PolarHBondContact O-N 2.99Å; N404-D406 PolarHBondContact OD1-N 2.88Å; N404-A407 HydrophobicContact CB-CB 4.22Å; N404-A407 WeakPolarHBondContact O-CB 3.42Å; N404-A407 PolarHBondContact O-N 3.32Å; N404-A407 PolarHBondContact OD1-N 3.19Å
405	L	92	Very high	89.4	Confident	20 Å²	20	54 Å²	54	11%	0.105	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.6	178.6	-58.8	-172.6	0	0	0	113	M303 L345 L403 A407 N410 F414 W416	M303-L405 HydrophobicContact CE-CD1 4.21Å; M303-L405 HydrophobicContact CE-CD2 4.22Å; M303-L405 HydrophobicContact SD-CD2 4.44Å; L345-L405 HydrophobicContact CD1-CD2 3.93Å; L403-L405 HydrophobicContact CB-CD2 3.96Å; L403-L405 HydrophobicContact CB-CG 4.5Å; L403-L405 PolarHBondContact O-N 2.79Å; L405-A407 VanDerWaalsContact C-N 3.33Å; L405-N410 PolarHBondContact O-ND2 3.19Å; L405-F414 HydrophobicContact CD2-CB 4.38Å; L405-W416 HydrophobicContact CD1-CG 4.07Å
406	D	89.8	Confident	89.3	Confident	154 Å²	154	52.5 Å²	52.5	82%	0.824	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.8	173.9	-58.3	-44.4	0	0	0	112.2	N404	N404-D406 PolarHBondContact O-N 2.99Å; N404-D406 PolarHBondContact OD1-N 2.88Å
407	A	89.5	Confident	89	Confident	25 Å²	25	49 Å²	49	21%	0.207	27%	0.271	C	S	.	.	S	Bend	trans	-66.9	145.8	178.1	0	0	0	0	0	111.8	N404 L405 A409 N410	N404-A407 HydrophobicContact CB-CB 4.22Å; N404-A407 WeakPolarHBondContact O-CB 3.42Å; N404-A407 PolarHBondContact O-N 3.32Å; N404-A407 PolarHBondContact OD1-N 3.19Å; L405-A407 VanDerWaalsContact C-N 3.33Å; A407-A409 PolarHBondContact O-N 3.01Å; A407-A409 VanDerWaalsContact O-N 3.08Å; A407-N410 VanDerWaalsContact O-CB 3.29Å; A407-N410 WeakPolarHBondContact O-CB 3.34Å; A407-N410 PolarHBondContact O-N 2.85Å
408	S	87.7	Confident	88.6	Confident	127 Å²	127	46.7 Å²	46.7	89%	0.888	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.8	172.7	57.1	0	0	0	0	113.6	N410	S408-N410 PolarHBondContact O-N 3.45Å
409	A	89.8	Confident	87.4	Confident	35 Å²	35	47.2 Å²	47.2	29%	0.289	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.7	172.8	0	0	0	0	0	113.2	A344 L345 A407 Y411	A344-A409 HydrophobicContact CB-CB 4.16Å; L345-A409 HydrophobicContact CD2-CB 3.91Å; A407-A409 PolarHBondContact O-N 3.01Å; A407-A409 VanDerWaalsContact O-N 3.08Å; A409-Y411 WeakPolarHBondContact O-CD1 3.48Å; A409-Y411 PolarHBondContact O-N 3.3Å
410	N	90.3	Very high	86.2	Confident	16 Å²	16	50.9 Å²	50.9	9%	0.086	28%	0.276	C	S	.	.			trans	-78	52.2	176.2	-171.5	17.2	0	0	0	111.8	Y341 L345 L405 A407 S408 L412 G413 F414	Y341-N410 WeakPolarHBondContact OH-CA 3.46Å; Y341-N410 PolarHBondContact OH-OD1 2.92Å; L345-N410 HydrophobicContact CD2-CB 3.8Å; L405-N410 PolarHBondContact O-ND2 3.19Å; A407-N410 VanDerWaalsContact O-CB 3.29Å; A407-N410 WeakPolarHBondContact O-CB 3.34Å; A407-N410 PolarHBondContact O-N 2.85Å; S408-N410 PolarHBondContact O-N 3.45Å; N410-L412 PolarHBondContact O-N 2.87Å; N410-G413 PolarHBondContact O-N 3Å; N410-G413 PolarHBondContact OD1-N 3.24Å; N410-F414 PolarHBondContact ND2-N 2.98Å; N410-F414 PolarHBondContact ND2-O 2.64Å; N410-F414 PolarHBondContact OD1-N 2.9Å
411	Y	85.3	Confident	85	Confident	118 Å²	118	54.8 Å²	54.8	46%	0.463	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.3	-178.3	67.3	-97.7	0	0	0	113.5	I311 Y341 A409	I311-Y411 WeakPolarHBondContact CD1-O 3.42Å; Y341-Y411 HydrophobicContact CD2-CD1 4.24Å; Y341-Y411 AromaticContact CD2-CE1 3.45Å; Y341-Y411 HydrophobicContact CD2-CE1 3.45Å; Y341-Y411 VanDerWaalsContact CD2-CE1 3.45Å; Y341-Y411 AromaticContact CD2-CZ 3.73Å; Y341-Y411 AromaticContact CE2-CD1 3.71Å; Y341-Y411 HydrophobicContact CE2-CD1 3.71Å; Y341-Y411 AromaticContact CE2-CE1 3.34Å; Y341-Y411 HydrophobicContact CE2-CE1 3.34Å; Y341-Y411 HydrophobicContact CE2-CE2 4.37Å; Y341-Y411 HydrophobicContact CE2-CG 4.35Å; Y341-Y411 AromaticContact CE2-CZ 3.7Å; A409-Y411 WeakPolarHBondContact O-CD1 3.48Å; A409-Y411 PolarHBondContact O-N 3.3Å
412	L	80.2	Confident	83.5	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.084	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.1	173.6	-62.4	172.3	0	0	0	112.5	R305 A318 F320 Y341 N410 F414	R305-L412 VanDerWaalsContact CD-O 3.27Å; R305-L412 WeakPolarHBondContact CD-O 3.27Å; R305-L412 WeakPolarHBondContact CG-O 3.34Å; R305-L412 PolarHBondContact NE-O 3.32Å; A318-L412 HydrophobicContact CB-CD1 3.79Å; F320-L412 HydrophobicContact CE1-CD1 3.9Å; F320-L412 HydrophobicContact CZ-CD1 3.56Å; Y341-L412 HydrophobicContact CD1-CD1 4.43Å; Y341-L412 HydrophobicContact CD2-CD1 4.34Å; Y341-L412 HydrophobicContact CE1-CD1 3.98Å; Y341-L412 HydrophobicContact CE2-CD1 3.89Å; Y341-L412 HydrophobicContact CE2-CG 4.03Å; Y341-L412 WeakPolarHBondContact OH-CB 3.46Å; Y341-L412 PolarHBondContact OH-N 2.91Å; N410-L412 PolarHBondContact O-N 2.87Å; L412-F414 HydrophobicContact CB-CD2 3.89Å; L412-F414 HydrophobicContact CB-CE2 3.82Å; L412-F414 HydrophobicContact CD1-CD2 4.44Å; L412-F414 HydrophobicContact CD1-CE2 3.7Å; L412-F414 HydrophobicContact CG-CE2 4.41Å
413	G	84.2	Confident	82	Confident	13 Å²	13	56 Å²	56	13%	0.134	31%	0.312	C	S	.	.			trans	76.4	36.5	178.1	0	0	0	0	0	113.8	I306 N410	I306-G413 PolarHBondContact N-O 3.06Å; N410-G413 PolarHBondContact O-N 3Å; N410-G413 PolarHBondContact OD1-N 3.24Å
414	F	86.1	Confident	80.4	Confident	13 Å²	13	55.9 Å²	55.9	6%	0.057	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.1	176.3	-80.8	-70.8	0	0	0	112.3	M303 V304 R305 A318 Y341 F342 L405 N410 L412	M303-F414 HydrophobicContact CG-CB 4Å; M303-F414 HydrophobicContact CG-CD1 3.72Å; M303-F414 HydrophobicContact CG-CG 4.15Å; M303-F414 HydrophobicContact SD-CB 3.98Å; M303-F414 HydrophobicContact SD-CD1 4.12Å; M303-F414 HydrophobicContact SD-CG 4.09Å; V304-F414 CarbonylContact O-C 3.56Å; V304-F414 WeakPolarHBondContact O-CA 3.41Å; V304-F414 WeakPolarHBondContact O-CD1 3.49Å; R305-F414 HydrophobicContact CB-CD1 4.23Å; R305-F414 HydrophobicContact CB-CE1 4.09Å; A318-F414 HydrophobicContact CB-CE2 4.01Å; A318-F414 HydrophobicContact CB-CZ 3.57Å; Y341-F414 AromaticContact CE1-CD2 3.68Å; Y341-F414 HydrophobicContact CE1-CD2 3.68Å; Y341-F414 AromaticContact CE1-CE2 3.77Å; Y341-F414 HydrophobicContact CE1-CE2 3.77Å; F342-F414 HydrophobicContact CE1-CD2 4.03Å; F342-F414 HydrophobicContact CE1-CE2 4.06Å; F342-F414 HydrophobicContact CZ-CD2 4.15Å; F342-F414 AromaticContact CZ-CE2 3.69Å; F342-F414 HydrophobicContact CZ-CE2 3.69Å; F342-F414 AromaticContact CZ-CZ 4Å; F342-F414 HydrophobicContact CZ-CZ 4Å; L405-F414 HydrophobicContact CD2-CB 4.38Å; N410-F414 PolarHBondContact ND2-N 2.98Å; N410-F414 PolarHBondContact ND2-O 2.64Å; N410-F414 PolarHBondContact OD1-N 2.9Å; L412-F414 HydrophobicContact CB-CD2 3.89Å; L412-F414 HydrophobicContact CB-CE2 3.82Å; L412-F414 HydrophobicContact CD1-CD2 4.44Å; L412-F414 HydrophobicContact CD1-CE2 3.7Å; L412-F414 HydrophobicContact CG-CE2 4.41Å
415	Q	87.5	Confident	79	Confident	92 Å²	92	57.9 Å²	57.9	43%	0.43	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.4	172.9	-63.8	-167.9	12.2	0	0	111.1	M303 V304 I306	M303-Q415 WeakPolarHBondContact CA-O 3.39Å; V304-Q415 PolarHBondContact N-O 2.92Å; V304-Q415 PolarHBondContact O-N 3.48Å; I306-Q415 HydrophobicContact CD1-CB 3.88Å; I306-Q415 HydrophobicContact CD1-CG 3.87Å; I306-Q415 HydrophobicContact CG1-CB 4.08Å; I306-Q415 HydrophobicContact CG1-CG 4.08Å
416	W	89.2	Confident	77.5	Confident	38 Å²	38	58 Å²	58	14%	0.144	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.3	169.8	-72.1	110.2	0	0	0	110.1	F292 R294 Q301 M303 I394 L405	F292-W416 HydrophobicContact CB-CH2 3.91Å; F292-W416 HydrophobicContact CB-CZ3 4.28Å; R294-W416 HydrophobicContact CB-CH2 4.09Å; R294-W416 HydrophobicContact CB-CZ3 4.21Å; R294-W416 HydrophobicContact CG-CD2 4.3Å; R294-W416 HydrophobicContact CG-CE3 3.92Å; R294-W416 HydrophobicContact CG-CH2 3.83Å; R294-W416 HydrophobicContact CG-CZ2 4.2Å; R294-W416 HydrophobicContact CG-CZ3 3.68Å; R294-W416 VanDerWaalsContact NH2-CG 3.35Å; Q301-W416 HydrophobicContact CB-CE3 3.95Å; M303-W416 HydrophobicContact CB-CD2 4.46Å; M303-W416 HydrophobicContact CB-CE3 3.97Å; M303-W416 HydrophobicContact CB-CH2 4.16Å; M303-W416 HydrophobicContact CB-CZ3 3.8Å; M303-W416 HydrophobicContact CE-CD2 4.08Å; M303-W416 HydrophobicContact CE-CE3 4.46Å; M303-W416 HydrophobicContact CE-CH2 3.63Å; M303-W416 HydrophobicContact CE-CZ2 3.15Å; M303-W416 HydrophobicContact CE-CZ3 4.26Å; I394-W416 HydrophobicContact CD1-CH2 3.68Å; I394-W416 HydrophobicContact CD1-CZ2 4.27Å; L405-W416 HydrophobicContact CD1-CG 4.07Å
417	K	83	Confident	75.8	Confident	64 Å²	64	51 Å²	51	28%	0.278	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.9	175.9	-169.8	171.8	176.8	-165.3	0	110.7	D78 Q301 I302 V304 Y419	D78-K417 IonicContact OD2-NZ 2.7Å; D78-K417 PolarHBondContact OD2-NZ 3.48Å; Q301-K417 CarbonylContact C-O 3.58Å; Q301-K417 VanDerWaalsContact CA-O 3.24Å; Q301-K417 WeakPolarHBondContact CA-O 3.29Å; I302-K417 PolarHBondContact N-O 2.81Å; I302-K417 PolarHBondContact O-N 2.83Å; V304-K417 HydrophobicContact CG1-CB 4.45Å; V304-K417 HydrophobicContact CG2-CB 3.76Å; V304-K417 HydrophobicContact CG2-CD 4.19Å; K417-Y419 HydrophobicContact CB-CD2 4.4Å; K417-Y419 HydrophobicContact CB-CE2 3.85Å; K417-Y419 HydrophobicContact CD-CE2 3.67Å; K417-Y419 WeakPolarHBondContact CD-OH 3.07Å; K417-Y419 HydrophobicContact CG-CD2 4.22Å; K417-Y419 HydrophobicContact CG-CE2 3.6Å; K417-Y419 PolarHBondContact NZ-OH 3.09Å; K417-Y419 VanDerWaalsContact NZ-OH 3.16Å
418	T	81.7	Confident	74.4	Confident	72 Å²	72	51.5 Å²	51.5	44%	0.442	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.2	177.1	-54.6	0	0	0	0	110.3	T299 Q301	T299-T418 HydrophobicContact CG2-CG2 4.29Å; Q301-T418 PolarHBondContact NE2-OG1 2.66Å
419	Y	67.2	Low	73.2	Confident	24 Å²	24	49.8 Å²	49.8	9%	0.094	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154.3	175	-78.6	-89.9	0	0	0	110.1	F76 I79 R300 I302 V304 K417 T423 L424	F76-Y419 HydrophobicContact CD1-CE1 4.27Å; F76-Y419 HydrophobicContact CE1-CD1 4.49Å; F76-Y419 HydrophobicContact CE1-CE1 4.29Å; I79-Y419 HydrophobicContact CD1-CD2 4.47Å; I79-Y419 HydrophobicContact CD1-CE1 4.24Å; I79-Y419 HydrophobicContact CD1-CE2 3.7Å; I79-Y419 HydrophobicContact CG1-CE2 4.37Å; I79-Y419 WeakPolarHBondContact CG1-OH 3.41Å; R300-Y419 PolarHBondContact O-N 2.86Å; I302-Y419 HydrophobicContact CG2-CD2 3.33Å; I302-Y419 HydrophobicContact CG2-CE2 3.41Å; I302-Y419 VanDerWaalsContact CG2-CE2 3.41Å; I302-Y419 HydrophobicContact CG2-CG 4.42Å; V304-Y419 HydrophobicContact CG1-CE2 4.49Å; K417-Y419 HydrophobicContact CB-CD2 4.4Å; K417-Y419 HydrophobicContact CB-CE2 3.85Å; K417-Y419 HydrophobicContact CD-CE2 3.67Å; K417-Y419 WeakPolarHBondContact CD-OH 3.07Å; K417-Y419 HydrophobicContact CG-CD2 4.22Å; K417-Y419 HydrophobicContact CG-CE2 3.6Å; K417-Y419 PolarHBondContact NZ-OH 3.09Å; K417-Y419 VanDerWaalsContact NZ-OH 3.16Å; Y419-T423 HydrophobicContact CD1-CG2 3.51Å; Y419-T423 HydrophobicContact CE1-CG2 4.16Å; Y419-T423 HydrophobicContact CG-CG2 4.37Å; Y419-L424 HydrophobicContact CG-CD2 4.41Å
420	N	67.8	Low	71.6	Confident	90 Å²	90	48.3 Å²	48.3	48%	0.481	25%	0.254	S	S	.	.			trans	-70.6	154.7	171.3	74.1	48	0	0	0	110.2	S422 T423 L424	N420-S422 VanDerWaalsContact C-N 3.33Å; N420-S422 PolarHBondContact O-N 3Å; N420-S422 PolarHBondContact OD1-N 2.72Å; N420-S422 PolarHBondContact OD1-OG 2.87Å; N420-T423 PolarHBondContact ND2-OG1 3.14Å; N420-T423 WeakPolarHBondContact O-CB 3.27Å; N420-T423 PolarHBondContact O-N 3.17Å; N420-T423 VanDerWaalsContact O-N 3.13Å; N420-T423 WeakPolarHBondContact OD1-CB 3.04Å; N420-T423 PolarHBondContact OD1-N 3.19Å; N420-T423 PolarHBondContact OD1-OG1 3.1Å; N420-L424 PolarHBondContact O-N 3.36Å
421	D	65.7	Low	70	Confident	85 Å²	85	48.1 Å²	48.1	46%	0.455	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-35.4	-172.9	-80.7	-17.8	0	0	0	113.4	R300 T423 L424 L425	R300-D421 WeakPolarHBondContact CD-OD1 3.32Å; R300-D421 WeakPolarHBondContact CG-OD1 3.49Å; R300-D421 IonicContact CZ-OD1 3.77Å; R300-D421 IonicContact NE-OD1 3.8Å; R300-D421 PolarHBondContact NE-OD1 3.32Å; R300-D421 IonicContact NH1-OD1 3.02Å; D421-T423 VanDerWaalsContact C-N 3.3Å; D421-T423 PolarHBondContact O-N 3.22Å; D421-L424 PolarHBondContact O-N 3.27Å; D421-L425 PolarHBondContact O-N 3.36Å; D421-L425 VanDerWaalsContact O-N 3.13Å
422	S	61.9	Low	68.8	Low	83 Å²	83	45.7 Å²	45.7	58%	0.58	25%	0.246	S	C	*	.	H	α-helix	trans	-60.7	-40.5	174.2	35.4	0	0	0	0	112	N420 L425 A426	N420-S422 VanDerWaalsContact C-N 3.33Å; N420-S422 PolarHBondContact O-N 3Å; N420-S422 PolarHBondContact OD1-N 2.72Å; N420-S422 PolarHBondContact OD1-OG 2.87Å; S422-L425 PolarHBondContact O-N 2.61Å; S422-A426 PolarHBondContact O-N 2.96Å
423	T	56.9	Low	67.8	Low	22 Å²	22	47.7 Å²	47.7	14%	0.135	26%	0.258	C	S	.	.	H	α-helix	trans	-68.1	-38.4	179.6	-62.8	0	0	0	0	110.1	F76 Y419 N420 D421 A426 V427	F76-T423 HydrophobicContact CD1-CG2 4.36Å; F76-T423 HydrophobicContact CE1-CG2 3.3Å; F76-T423 HydrophobicContact CE2-CG2 3.84Å; F76-T423 HydrophobicContact CZ-CG2 3.07Å; F76-T423 VanDerWaalsContact CZ-O 3.31Å; F76-T423 WeakPolarHBondContact CZ-O 3.32Å; Y419-T423 HydrophobicContact CD1-CG2 3.51Å; Y419-T423 HydrophobicContact CE1-CG2 4.16Å; Y419-T423 HydrophobicContact CG-CG2 4.37Å; N420-T423 PolarHBondContact ND2-OG1 3.14Å; N420-T423 WeakPolarHBondContact O-CB 3.27Å; N420-T423 PolarHBondContact O-N 3.17Å; N420-T423 VanDerWaalsContact O-N 3.13Å; N420-T423 WeakPolarHBondContact OD1-CB 3.04Å; N420-T423 PolarHBondContact OD1-N 3.19Å; N420-T423 PolarHBondContact OD1-OG1 3.1Å; D421-T423 VanDerWaalsContact C-N 3.3Å; D421-T423 PolarHBondContact O-N 3.22Å; T423-A426 CarbonylContact O-C 3.57Å; T423-A426 WeakPolarHBondContact O-CA 3.08Å; T423-A426 WeakPolarHBondContact O-CB 3.38Å; T423-A426 PolarHBondContact O-N 3.21Å; T423-V427 WeakPolarHBondContact O-CG2 3.48Å; T423-V427 PolarHBondContact O-N 3.27Å
424	L	59.8	Low	66.4	Low	8 Å²	8	48 Å²	48	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-70.7	-34.9	176.5	-68.2	174.8	0	0	0	114.1	L293 R300 I302 Y419 N420 D421 A426 V427 E428	L293-L424 HydrophobicContact CD2-CD1 4.26Å; L293-L424 HydrophobicContact CD2-CD2 3.85Å; L293-L424 HydrophobicContact CD2-CG 4.47Å; R300-L424 HydrophobicContact CB-CD1 3.13Å; R300-L424 HydrophobicContact CG-CD1 4.06Å; I302-L424 HydrophobicContact CB-CD2 4.15Å; I302-L424 HydrophobicContact CG2-CD2 4.25Å; Y419-L424 HydrophobicContact CG-CD2 4.41Å; N420-L424 PolarHBondContact O-N 3.36Å; D421-L424 PolarHBondContact O-N 3.27Å; L424-A426 VanDerWaalsContact C-N 3.28Å; L424-V427 HydrophobicContact CD2-CG2 4.45Å; L424-V427 WeakPolarHBondContact O-CB 3.43Å; L424-V427 PolarHBondContact O-N 3.24Å; L424-E428 PolarHBondContact O-N 2.66Å; L424-E428 VanDerWaalsContact O-N 3.13Å
425	L	62.9	Low	65	Low	100 Å²	100	48.3 Å²	48.3	52%	0.524	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-38.7	170	-74.6	169.9	0	0	0	111	D421 S422 E428 N429	D421-L425 PolarHBondContact O-N 3.36Å; D421-L425 VanDerWaalsContact O-N 3.13Å; S422-L425 PolarHBondContact O-N 2.61Å; L425-E428 PolarHBondContact O-N 3.08Å; L425-N429 PolarHBondContact O-N 2.89Å; L425-N429 VanDerWaalsContact O-N 3.12Å
426	A	60.2	Low	63.6	Low	24 Å²	24	48.5 Å²	48.5	20%	0.198	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-42.4	171.4	0	0	0	0	0	111.2	F76 S422 T423 L424 E428 N429 V430	F76-A426 HydrophobicContact CZ-CB 4.36Å; S422-A426 PolarHBondContact O-N 2.96Å; T423-A426 CarbonylContact O-C 3.57Å; T423-A426 WeakPolarHBondContact O-CA 3.08Å; T423-A426 WeakPolarHBondContact O-CB 3.38Å; T423-A426 PolarHBondContact O-N 3.21Å; L424-A426 VanDerWaalsContact C-N 3.28Å; A426-E428 PolarHBondContact O-N 3.26Å; A426-N429 PolarHBondContact O-N 3.15Å; A426-V430 VanDerWaalsContact O-CB 3.23Å; A426-V430 WeakPolarHBondContact O-CB 3.4Å; A426-V430 WeakPolarHBondContact O-CG2 3.42Å; A426-V430 PolarHBondContact O-N 3.46Å
427	V	54.9	Low	62.2	Low	7 Å²	7	49.8 Å²	49.8	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-48.3	174.3	178.2	0	0	0	0	111.6	F76 I79 I302 T423 L424 N429 V430 V431	F76-V427 HydrophobicContact CD1-CG2 3.88Å; F76-V427 HydrophobicContact CE1-CB 4.47Å; F76-V427 HydrophobicContact CE1-CG2 3.07Å; F76-V427 HydrophobicContact CZ-CG2 3.59Å; I79-V427 HydrophobicContact CD1-CG2 4.43Å; I302-V427 HydrophobicContact CD1-CG1 4.17Å; T423-V427 WeakPolarHBondContact O-CG2 3.48Å; T423-V427 PolarHBondContact O-N 3.27Å; L424-V427 HydrophobicContact CD2-CG2 4.45Å; L424-V427 WeakPolarHBondContact O-CB 3.43Å; L424-V427 PolarHBondContact O-N 3.24Å; V427-N429 VanDerWaalsContact C-N 3.33Å; V427-N429 PolarHBondContact O-N 3.25Å; V427-V430 PolarHBondContact O-N 3.24Å; V427-V431 HydrophobicContact CG1-CG2 3.85Å; V427-V431 WeakPolarHBondContact O-CB 3.39Å; V427-V431 WeakPolarHBondContact O-CG2 3.42Å; V427-V431 PolarHBondContact O-N 2.75Å
428	E	60.5	Low	61	Low	35 Å²	35	51.2 Å²	51.2	16%	0.164	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-43.6	-179.7	-171.7	-175.3	151.4	0	0	111.4	R367 M391 L424 L425 A426 V430 K432	R367-E428 IonicContact CZ-OE1 2.66Å; R367-E428 VanDerWaalsContact NH1-CD 3.3Å; R367-E428 IonicContact NH1-OE1 3.68Å; R367-E428 PolarHBondContact NH1-OE1 2.79Å; R367-E428 IonicContact NH1-OE2 3.08Å; R367-E428 PolarHBondContact NH1-OE2 2.83Å; R367-E428 IonicContact NH2-OE1 3.17Å; R367-E428 PolarHBondContact NH2-OE1 2.62Å; M391-E428 HydrophobicContact CE-CG 4.2Å; L424-E428 PolarHBondContact O-N 2.66Å; L424-E428 VanDerWaalsContact O-N 3.13Å; L425-E428 PolarHBondContact O-N 3.08Å; A426-E428 PolarHBondContact O-N 3.26Å; E428-V430 VanDerWaalsContact C-N 3.33Å; E428-K432 WeakPolarHBondContact O-CB 3.35Å; E428-K432 VanDerWaalsContact O-CG 3.31Å; E428-K432 WeakPolarHBondContact O-CG 3.27Å; E428-K432 PolarHBondContact O-N 3.47Å; E428-K432 VanDerWaalsContact OE1-CE 3.31Å; E428-K432 WeakPolarHBondContact OE1-CE 3.1Å; E428-K432 IonicContact OE1-NZ 2.66Å; E428-K432 PolarHBondContact OE1-NZ 3.27Å
429	N	61.7	Low	59.7	Low	91 Å²	91	51.5 Å²	51.5	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-37.8	177.5	-73.9	-20.2	0	0	0	111.7	L425 A426 V427 K432 T433	L425-N429 PolarHBondContact O-N 2.89Å; L425-N429 VanDerWaalsContact O-N 3.12Å; A426-N429 PolarHBondContact O-N 3.15Å; V427-N429 VanDerWaalsContact C-N 3.33Å; V427-N429 PolarHBondContact O-N 3.25Å; N429-K432 WeakPolarHBondContact O-CB 3.04Å; N429-K432 PolarHBondContact O-N 3.49Å; N429-T433 WeakPolarHBondContact O-CB 3.5Å; N429-T433 PolarHBondContact O-N 2.74Å; N429-T433 PolarHBondContact O-OG1 3.22Å
430	V	56	Low	59	Low	3 Å²	3	52.1 Å²	52.1	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-70.6	-48.2	178.9	166.9	0	0	0	0	110.4	L68 L72 I80 A426 V427 E428 K432 T433 V434	L68-V430 HydrophobicContact CD1-CG2 3.69Å; L68-V430 HydrophobicContact CD2-CG2 4.07Å; L68-V430 HydrophobicContact CG-CG2 4.06Å; L72-V430 HydrophobicContact CD1-CB 4.32Å; L72-V430 HydrophobicContact CD1-CG1 3.49Å; L72-V430 VanDerWaalsContact CD1-CG1 3.49Å; L72-V430 HydrophobicContact CD1-CG2 3.93Å; L72-V430 HydrophobicContact CD2-CB 3.97Å; L72-V430 HydrophobicContact CD2-CG1 3.43Å; L72-V430 VanDerWaalsContact CD2-CG1 3.43Å; L72-V430 HydrophobicContact CD2-CG2 3.57Å; L72-V430 HydrophobicContact CG-CG1 4.06Å; L72-V430 HydrophobicContact CG-CG2 4.09Å; I80-V430 HydrophobicContact CD1-CG1 4.14Å; A426-V430 VanDerWaalsContact O-CB 3.23Å; A426-V430 WeakPolarHBondContact O-CB 3.4Å; A426-V430 WeakPolarHBondContact O-CG2 3.42Å; A426-V430 PolarHBondContact O-N 3.46Å; V427-V430 PolarHBondContact O-N 3.24Å; E428-V430 VanDerWaalsContact C-N 3.33Å; V430-K432 PolarHBondContact O-N 3.01Å; V430-T433 PolarHBondContact O-N 2.99Å; V430-T433 VanDerWaalsContact O-N 3.14Å; V430-V434 HydrophobicContact CG1-CG2 3.67Å; V430-V434 WeakPolarHBondContact O-CB 3.32Å; V430-V434 VanDerWaalsContact O-CG2 3.27Å; V430-V434 WeakPolarHBondContact O-CG2 3.32Å; V430-V434 PolarHBondContact O-N 2.99Å
431	V	57.4	Low	58.1	Low	12 Å²	12	48.3 Å²	48.3	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-31.4	176.7	177	0	0	0	0	109.5	I291 I369 V389 V427 F435	I291-V431 HydrophobicContact CD1-CG1 3.96Å; I291-V431 HydrophobicContact CD1-CG2 4.05Å; I369-V431 HydrophobicContact CD1-CG1 3.94Å; I369-V431 HydrophobicContact CG2-CG1 3.91Å; V389-V431 HydrophobicContact CG1-CG1 4.13Å; V427-V431 HydrophobicContact CG1-CG2 3.85Å; V427-V431 WeakPolarHBondContact O-CB 3.39Å; V427-V431 WeakPolarHBondContact O-CG2 3.42Å; V427-V431 PolarHBondContact O-N 2.75Å; V431-F435 HydrophobicContact CB-CD2 4.32Å; V431-F435 HydrophobicContact CB-CE2 4.4Å; V431-F435 HydrophobicContact CG1-CD2 3.77Å; V431-F435 HydrophobicContact CG1-CE2 3.85Å; V431-F435 HydrophobicContact CG2-CE2 4.48Å; V431-F435 VanDerWaalsContact O-CB 3.23Å; V431-F435 WeakPolarHBondContact O-CB 3.49Å; V431-F435 WeakPolarHBondContact O-CD2 3.1Å; V431-F435 PolarHBondContact O-N 3.07Å
432	K	60.8	Low	57.3	Low	68 Å²	68	45.7 Å²	45.7	30%	0.296	25%	0.252	S	S	.	.	H	α-helix	trans	-66.3	-61.5	167.2	-74.3	172.9	-171.9	165.7	0	110.8	I369 E428 N429 V430 V434 F435 T436	I369-K432 HydrophobicContact CG2-CG 3.91Å; E428-K432 WeakPolarHBondContact O-CB 3.35Å; E428-K432 VanDerWaalsContact O-CG 3.31Å; E428-K432 WeakPolarHBondContact O-CG 3.27Å; E428-K432 PolarHBondContact O-N 3.47Å; E428-K432 VanDerWaalsContact OE1-CE 3.31Å; E428-K432 WeakPolarHBondContact OE1-CE 3.1Å; E428-K432 IonicContact OE1-NZ 2.66Å; E428-K432 PolarHBondContact OE1-NZ 3.27Å; N429-K432 WeakPolarHBondContact O-CB 3.04Å; N429-K432 PolarHBondContact O-N 3.49Å; V430-K432 PolarHBondContact O-N 3.01Å; K432-V434 PolarHBondContact O-N 2.05Å; K432-F435 CarbonylContact O-C 3.46Å; K432-F435 PolarHBondContact O-N 2.77Å; K432-T436 WeakPolarHBondContact O-CB 3.12Å; K432-T436 WeakPolarHBondContact O-CG2 3.28Å; K432-T436 PolarHBondContact O-N 2.82Å; K432-T436 PolarHBondContact O-OG1 2.82Å
433	T	57.4	Low	56.6	Low	57 Å²	57	44.7 Å²	44.7	35%	0.35	24%	0.235	S	C	.	.	H	α-helix	trans	-54.6	-53.6	-175.3	-60.2	0	0	0	0	112.8	N429 V430 F435 T436 D437	N429-T433 WeakPolarHBondContact O-CB 3.5Å; N429-T433 PolarHBondContact O-N 2.74Å; N429-T433 PolarHBondContact O-OG1 3.22Å; V430-T433 PolarHBondContact O-N 2.99Å; V430-T433 VanDerWaalsContact O-N 3.14Å; T433-F435 VanDerWaalsContact C-N 3.29Å; T433-F435 PolarHBondContact O-N 3.28Å; T433-T436 PolarHBondContact O-N 2.76Å; T433-D437 WeakPolarHBondContact O-CB 3.08Å; T433-D437 PolarHBondContact O-N 2.05Å
434	V	55.2	Low	55.5	Low	21 Å²	21	47.2 Å²	47.2	13%	0.127	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-39.7	-179.7	173.4	0	0	0	0	111.2	V430 K432 T440 Q441	V430-V434 HydrophobicContact CG1-CG2 3.67Å; V430-V434 WeakPolarHBondContact O-CB 3.32Å; V430-V434 VanDerWaalsContact O-CG2 3.27Å; V430-V434 WeakPolarHBondContact O-CG2 3.32Å; V430-V434 PolarHBondContact O-N 2.99Å; K432-V434 PolarHBondContact O-N 2.05Å; V434-T440 HydrophobicContact CG2-CG2 4.29Å; V434-Q441 WeakPolarHBondContact O-CG 3.26Å
435	F	56.6	Low	54.4	Low	19 Å²	19	48 Å²	48	8%	0.083	26%	0.256	C	S	.	.	H	α-helix	trans	-93.4	-17.4	-176.8	-65.2	-101.8	0	0	0	113.5	L317 F370 F374 V389 V431 K432 T433 Q441	L317-F435 HydrophobicContact CD1-CZ 4.05Å; F370-F435 HydrophobicContact CB-CB 4.12Å; F370-F435 HydrophobicContact CD1-CD1 4.42Å; F370-F435 HydrophobicContact CD2-CB 3.91Å; F370-F435 WeakPolarHBondContact CD2-O 3.42Å; F370-F435 HydrophobicContact CE2-CB 4.49Å; F370-F435 WeakPolarHBondContact CE2-O 3.43Å; F370-F435 HydrophobicContact CG-CB 3.96Å; F374-F435 AromaticContact CD2-CD1 3.96Å; F374-F435 HydrophobicContact CD2-CD1 3.96Å; F374-F435 AromaticContact CD2-CE1 3.93Å; F374-F435 HydrophobicContact CD2-CE1 3.93Å; F374-F435 AromaticContact CE2-CD1 3.7Å; F374-F435 HydrophobicContact CE2-CD1 3.7Å; F374-F435 AromaticContact CE2-CE1 3.3Å; F374-F435 HydrophobicContact CE2-CE1 3.3Å; F374-F435 HydrophobicContact CE2-CZ 4.31Å; F374-F435 HydrophobicContact CZ-CE1 4.18Å; V389-F435 HydrophobicContact CG2-CD1 3.71Å; V389-F435 HydrophobicContact CG2-CE1 3.6Å; V389-F435 HydrophobicContact CG2-CG 4.47Å; V389-F435 HydrophobicContact CG2-CZ 4.31Å; V431-F435 HydrophobicContact CB-CD2 4.32Å; V431-F435 HydrophobicContact CB-CE2 4.4Å; V431-F435 HydrophobicContact CG1-CD2 3.77Å; V431-F435 HydrophobicContact CG1-CE2 3.85Å; V431-F435 HydrophobicContact CG2-CE2 4.48Å; V431-F435 VanDerWaalsContact O-CB 3.23Å; V431-F435 WeakPolarHBondContact O-CB 3.49Å; V431-F435 WeakPolarHBondContact O-CD2 3.1Å; V431-F435 PolarHBondContact O-N 3.07Å; K432-F435 CarbonylContact O-C 3.46Å; K432-F435 PolarHBondContact O-N 2.77Å; T433-F435 VanDerWaalsContact C-N 3.29Å; T433-F435 PolarHBondContact O-N 3.28Å; F435-Q441 PolarHBondContact O-NE2 3.22Å
436	T	57.8	Low	53	Low	96 Å²	96	45 Å²	45	59%	0.589	25%	0.245	S	C	*	.	H	α-helix	trans	-92.2	-28.1	177	56.7	0	0	0	0	113.1	K432 T433	K432-T436 WeakPolarHBondContact O-CB 3.12Å; K432-T436 WeakPolarHBondContact O-CG2 3.28Å; K432-T436 PolarHBondContact O-N 2.82Å; K432-T436 PolarHBondContact O-OG1 2.82Å; T433-T436 PolarHBondContact O-N 2.76Å
437	D	61.3	Low	51.7	Low	64 Å²	64	46.9 Å²	46.9	34%	0.342	27%	0.267	S	S	.	.			trans	-89.2	108.6	179	-177.6	52.6	0	0	0	110.7	T433 E439 T440 Q441	T433-D437 WeakPolarHBondContact O-CB 3.08Å; T433-D437 PolarHBondContact O-N 2.05Å; D437-E439 PolarHBondContact O-N 3.36Å; D437-T440 PolarHBondContact O-N 2.92Å; D437-T440 WeakPolarHBondContact OD2-CB 3.38Å; D437-T440 PolarHBondContact OD2-N 2.82Å; D437-T440 PolarHBondContact OD2-OG1 2.88Å; D437-Q441 PolarHBondContact O-N 2.8Å
438	Q	57.6	Low	50.7	Low	95 Å²	95	48.1 Å²	48.1	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-33.3	-178.3	-171.9	174.7	9	0	0	112	E268 L442	E268-Q438 PolarHBondContact OE2-NE2 2.78Å; Q438-L442 HydrophobicContact CG-CD1 4.16Å; Q438-L442 WeakPolarHBondContact O-CB 3.35Å; Q438-L442 WeakPolarHBondContact O-CD1 3.28Å; Q438-L442 WeakPolarHBondContact O-CG 3.39Å; Q438-L442 PolarHBondContact O-N 3.12Å
439	E	54.9	Low	49.6	Very low	78 Å²	78	48.3 Å²	48.3	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-42.4	177.4	-164	-175.1	-150	0	0	111.3	D437 L442 R443	D437-E439 PolarHBondContact O-N 3.36Å; E439-L442 PolarHBondContact O-N 3.23Å; E439-R443 WeakPolarHBondContact O-CB 3.05Å; E439-R443 VanDerWaalsContact O-CG 3.27Å; E439-R443 WeakPolarHBondContact O-CG 3.04Å; E439-R443 PolarHBondContact O-N 3.48Å; E439-R443 IonicContact OE1-CZ 2.99Å; E439-R443 VanDerWaalsContact OE1-CZ 3.23Å; E439-R443 IonicContact OE1-NH1 3.26Å; E439-R443 IonicContact OE1-NH2 2.65Å; E439-R443 PolarHBondContact OE1-NH2 2.87Å; E439-R443 IonicContact OE2-CZ 2.84Å; E439-R443 VanDerWaalsContact OE2-CZ 3.26Å; E439-R443 IonicContact OE2-NH1 3.2Å; E439-R443 PolarHBondContact OE2-NH1 3.2Å; E439-R443 IonicContact OE2-NH2 3.67Å; E439-R443 PolarHBondContact OE2-NH2 2.83Å
440	T	50.9	Low	48.5	Very low	36 Å²	36	44.4 Å²	44.4	22%	0.221	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-43.6	173.7	-60.5	0	0	0	0	111.1	V434 D437 L442 R443 V444	V434-T440 HydrophobicContact CG2-CG2 4.29Å; D437-T440 PolarHBondContact O-N 2.92Å; D437-T440 WeakPolarHBondContact OD2-CB 3.38Å; D437-T440 PolarHBondContact OD2-N 2.82Å; D437-T440 PolarHBondContact OD2-OG1 2.88Å; T440-L442 VanDerWaalsContact C-N 3.33Å; T440-L442 PolarHBondContact O-N 3.06Å; T440-R443 PolarHBondContact O-N 2.81Å; T440-V444 HydrophobicContact CG2-CG2 4.02Å; T440-V444 WeakPolarHBondContact O-CB 3.3Å; T440-V444 WeakPolarHBondContact O-CG2 3.38Å; T440-V444 PolarHBondContact O-N 2.85Å
441	Q	50.3	Low	47.9	Very low	10 Å²	10	45.1 Å²	45.1	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-54.6	-50.5	172.7	-76.3	-162.1	-1.4	0	0	110.9	F370 V434 F435 D437 R443 V444 T445	F370-Q441 VanDerWaalsContact CZ-NE2 3.32Å; V434-Q441 WeakPolarHBondContact O-CG 3.26Å; F435-Q441 PolarHBondContact O-NE2 3.22Å; D437-Q441 PolarHBondContact O-N 2.8Å; Q441-R443 PolarHBondContact O-N 2.84Å; Q441-V444 PolarHBondContact O-N 2.83Å; Q441-T445 WeakPolarHBondContact O-CB 3.43Å; Q441-T445 WeakPolarHBondContact O-CG2 3.16Å; Q441-T445 PolarHBondContact O-N 3.42Å; Q441-T445 PolarHBondContact O-OG1 3.05Å
442	L	48.3	Very low	46.9	Very low	31 Å²	31	47 Å²	47	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-41	178.9	-83.5	162.5	0	0	0	112.6	I231 R269 Q438 E439 T440 A446	I231-L442 HydrophobicContact CD1-CD1 4.32Å; I231-L442 HydrophobicContact CD1-CD2 4.27Å; R269-L442 VanDerWaalsContact CZ-CD2 3.43Å; Q438-L442 HydrophobicContact CG-CD1 4.16Å; Q438-L442 WeakPolarHBondContact O-CB 3.35Å; Q438-L442 WeakPolarHBondContact O-CD1 3.28Å; Q438-L442 WeakPolarHBondContact O-CG 3.39Å; Q438-L442 PolarHBondContact O-N 3.12Å; E439-L442 PolarHBondContact O-N 3.23Å; T440-L442 VanDerWaalsContact C-N 3.33Å; T440-L442 PolarHBondContact O-N 3.06Å; L442-A446 WeakPolarHBondContact O-CA 3.3Å; L442-A446 VanDerWaalsContact O-CB 3.26Å; L442-A446 WeakPolarHBondContact O-CB 3.3Å; L442-A446 PolarHBondContact O-N 2.86Å
443	R	46.4	Very low	45.8	Very low	62 Å²	62	46.1 Å²	46.1	23%	0.234	28%	0.276	C	S	.	.	H	α-helix	trans	-71.6	-32.8	179.3	-76.4	174	173.2	146.1	6.9	113.4	E439 T440 Q441	E439-R443 WeakPolarHBondContact O-CB 3.05Å; E439-R443 VanDerWaalsContact O-CG 3.27Å; E439-R443 WeakPolarHBondContact O-CG 3.04Å; E439-R443 PolarHBondContact O-N 3.48Å; E439-R443 IonicContact OE1-CZ 2.99Å; E439-R443 VanDerWaalsContact OE1-CZ 3.23Å; E439-R443 IonicContact OE1-NH1 3.26Å; E439-R443 IonicContact OE1-NH2 2.65Å; E439-R443 PolarHBondContact OE1-NH2 2.87Å; E439-R443 IonicContact OE2-CZ 2.84Å; E439-R443 VanDerWaalsContact OE2-CZ 3.26Å; E439-R443 IonicContact OE2-NH1 3.2Å; E439-R443 PolarHBondContact OE2-NH1 3.2Å; E439-R443 IonicContact OE2-NH2 3.67Å; E439-R443 PolarHBondContact OE2-NH2 2.83Å; T440-R443 PolarHBondContact O-N 2.81Å; Q441-R443 PolarHBondContact O-N 2.84Å
444	V	34.8	Very low	45	Very low	75 Å²	75	47.3 Å²	47.3	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-79.9	-32.8	179.4	173.4	0	0	0	0	110.8	T440 Q441	T440-V444 HydrophobicContact CG2-CG2 4.02Å; T440-V444 WeakPolarHBondContact O-CB 3.3Å; T440-V444 WeakPolarHBondContact O-CG2 3.38Å; T440-V444 PolarHBondContact O-N 2.85Å; Q441-V444 PolarHBondContact O-N 2.83Å
445	T	36.4	Very low	44.4	Very low	25 Å²	25	49.6 Å²	49.6	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-103.6	-26	-173.2	60.5	0	0	0	0	114.7	S375 P377 Q441	S375-T445 WeakPolarHBondContact CB-OG1 3.5Å; S375-T445 WeakPolarHBondContact O-CB 3.26Å; S375-T445 WeakPolarHBondContact O-CG2 3.35Å; S375-T445 PolarHBondContact O-OG1 2.04Å; S375-T445 PolarHBondContact OG-OG1 3.24Å; P377-T445 WeakPolarHBondContact CA-O 3.24Å; P377-T445 VanDerWaalsContact CB-O 3.29Å; P377-T445 WeakPolarHBondContact CB-O 3.27Å; Q441-T445 WeakPolarHBondContact O-CB 3.43Å; Q441-T445 WeakPolarHBondContact O-CG2 3.16Å; Q441-T445 PolarHBondContact O-N 3.42Å; Q441-T445 PolarHBondContact O-OG1 3.05Å
446	A	34.4	Very low	43.7	Very low	35 Å²	35	54.4 Å²	54.4	29%	0.289	31%	0.307	S	S	.	.	S	Bend	trans	-107.3	119.1	166.1	0	0	0	0	0	107.2	L442 N448	L442-A446 WeakPolarHBondContact O-CA 3.3Å; L442-A446 VanDerWaalsContact O-CB 3.26Å; L442-A446 WeakPolarHBondContact O-CB 3.3Å; L442-A446 PolarHBondContact O-N 2.86Å; A446-N448 PolarHBondContact O-N 3.48Å
447	G	31.3	Very low	42.9	Very low	65 Å²	65	52.8 Å²	52.8	67%	0.67	30%	0.303	S	S	*	.			trans	-63.7	61.8	172.8	0	0	0	0	0	112	Y449	G447-Y449 WeakPolarHBondContact O-CD1 3.44Å; G447-Y449 PolarHBondContact O-N 2.85Å; G447-Y449 VanDerWaalsContact O-N 3.15Å
448	N	34.6	Very low	41.9	Very low	32 Å²	32	52.6 Å²	52.6	17%	0.171	30%	0.298	C	S	.	.			trans	-85.8	95.3	-174	-150.8	-24.4	0	0	0	108.5	L226 W228 A446 F450	L226-N448 PolarHBondContact O-ND2 3.19Å; W228-N448 PolarHBondContact N-ND2 2.72Å; A446-N448 PolarHBondContact O-N 3.48Å; N448-F450 PolarHBondContact O-N 3.45Å; N448-F450 VanDerWaalsContact O-N 3.15Å
449	Y	36.9	Very low	41.4	Very low	39 Å²	39	52.8 Å²	52.8	15%	0.153	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-64.4	-9.9	-178.4	43.8	-93.3	0	0	0	113.9	L205 L208 V225 G447 S451	L205-Y449 HydrophobicContact CD1-CE2 4.46Å; L205-Y449 HydrophobicContact CD2-CD2 3.9Å; L205-Y449 HydrophobicContact CD2-CE2 3.09Å; L205-Y449 HydrophobicContact CG-CD2 4.2Å; L205-Y449 HydrophobicContact CG-CE2 3.7Å; L208-Y449 HydrophobicContact CD1-CD1 3.87Å; L208-Y449 HydrophobicContact CD1-CD2 4.28Å; L208-Y449 HydrophobicContact CD1-CE1 3.75Å; L208-Y449 HydrophobicContact CD1-CE2 4.18Å; L208-Y449 HydrophobicContact CD1-CG 4.14Å; V225-Y449 HydrophobicContact CG1-CE1 3.82Å; V225-Y449 WeakPolarHBondContact CG1-OH 3.47Å; G447-Y449 WeakPolarHBondContact O-CD1 3.44Å; G447-Y449 PolarHBondContact O-N 2.85Å; G447-Y449 VanDerWaalsContact O-N 3.15Å; Y449-S451 VanDerWaalsContact C-N 3.3Å; Y449-S451 PolarHBondContact O-N 2.84Å; Y449-S451 VanDerWaalsContact O-N 3.16Å
450	F	39.1	Very low	41.1	Very low	10 Å²	10	53.1 Å²	53.1	4%	0.044	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-83	20.3	-174.5	-84.7	-59.6	0	0	0	117.2	I197 D201 L205 P227 N448	I197-F450 HydrophobicContact CD1-CE1 3.65Å; I197-F450 HydrophobicContact CD1-CZ 3.55Å; I197-F450 HydrophobicContact CG1-CE1 4.32Å; I197-F450 HydrophobicContact CG2-CD1 4.4Å; I197-F450 HydrophobicContact CG2-CE1 3.63Å; I197-F450 HydrophobicContact CG2-CZ 4.47Å; D201-F450 HydrophobicContact CB-CD1 4.33Å; D201-F450 HydrophobicContact CB-CE1 4.21Å; L205-F450 HydrophobicContact CD1-CE1 3.93Å; L205-F450 HydrophobicContact CD1-CE2 4.08Å; L205-F450 HydrophobicContact CD1-CZ 3.26Å; L205-F450 HydrophobicContact CD2-CZ 4.38Å; L205-F450 HydrophobicContact CG-CE1 4.3Å; L205-F450 HydrophobicContact CG-CE2 4.43Å; L205-F450 HydrophobicContact CG-CZ 3.83Å; P227-F450 HydrophobicContact CB-CD2 4.07Å; P227-F450 HydrophobicContact CB-CE2 4.42Å; N448-F450 PolarHBondContact O-N 3.45Å; N448-F450 VanDerWaalsContact O-N 3.15Å
451	S	42.5	Very low	40.9	Very low	18 Å²	18	54.1 Å²	54.1	13%	0.126	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-106.2	-14	-179.4	66.3	0	0	0	0	115.3	Y449 S453 R454 Y455	Y449-S451 VanDerWaalsContact C-N 3.3Å; Y449-S451 PolarHBondContact O-N 2.84Å; Y449-S451 VanDerWaalsContact O-N 3.16Å; S451-S453 PolarHBondContact O-N 3.17Å; S451-R454 WeakPolarHBondContact O-CB 3.09Å; S451-R454 PolarHBondContact O-N 3.21Å; S451-Y455 WeakPolarHBondContact O-CD2 3.11Å; S451-Y455 PolarHBondContact O-N 3.41Å
452	A	37.1	Very low	40.8	Very low	52 Å²	52	55.5 Å²	55.5	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-58.9	-41.4	-173.2	0	0	0	0	0	113.6	R454 Y455	A452-R454 PolarHBondContact O-N 2.86Å; A452-Y455 WeakPolarHBondContact O-CB 3.44Å; A452-Y455 PolarHBondContact O-N 3.16Å; A452-Y455 VanDerWaalsContact O-N 3.12Å
453	S	38.1	Very low	40.8	Very low	48 Å²	48	55.8 Å²	55.8	34%	0.336	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-25.9	177.3	55.1	0	0	0	0	113.6	D201 S451 L456 A457	D201-S453 VanDerWaalsContact OD2-CB 3.27Å; D201-S453 WeakPolarHBondContact OD2-CB 3.26Å; D201-S453 PolarHBondContact OD2-OG 2.71Å; S451-S453 PolarHBondContact O-N 3.17Å; S453-L456 PolarHBondContact O-N 3.5Å; S453-A457 PolarHBondContact O-N 3.43Å
454	R	40.3	Very low	41.2	Very low	83 Å²	83	56.3 Å²	56.3	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-74.2	-31.9	173.2	-70.3	-177.4	166.5	-153.3	-12.3	112.9	W228 S451 A452 L456 A457 Y458	W228-R454 VanDerWaalsContact CH2-NH1 3.26Å; S451-R454 WeakPolarHBondContact O-CB 3.09Å; S451-R454 PolarHBondContact O-N 3.21Å; A452-R454 PolarHBondContact O-N 2.86Å; R454-L456 PolarHBondContact O-N 2.99Å; R454-A457 PolarHBondContact O-N 3.15Å; R454-Y458 HydrophobicContact CB-CD2 4.39Å; R454-Y458 HydrophobicContact CB-CE2 4.15Å; R454-Y458 WeakPolarHBondContact O-CD2 3.37Å; R454-Y458 PolarHBondContact O-N 2.94Å
455	Y	42.8	Very low	42.1	Very low	68 Å²	68	55 Å²	55	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-38.8	174	-73.1	-104.1	0	0	0	111.3	R61 S451 A452 Y458 F459	R61-Y455 PolarHBondContact NH1-OH 3.14Å; R61-Y455 PolarHBondContact NH2-OH 3.26Å; S451-Y455 WeakPolarHBondContact O-CD2 3.11Å; S451-Y455 PolarHBondContact O-N 3.41Å; A452-Y455 WeakPolarHBondContact O-CB 3.44Å; A452-Y455 PolarHBondContact O-N 3.16Å; A452-Y455 VanDerWaalsContact O-N 3.12Å; Y455-Y458 PolarHBondContact O-N 2.79Å; Y455-F459 WeakPolarHBondContact O-CB 3.13Å; Y455-F459 PolarHBondContact O-N 2.96Å
456	L	41	Very low	43	Very low	121 Å²	121	57.1 Å²	57.1	63%	0.634	36%	0.356	S	S	*	.	H	α-helix	trans	-65.5	-43.6	177.5	-157.7	84.6	0	0	0	111.5	S453 R454 Y458 F459 V460	S453-L456 PolarHBondContact O-N 3.5Å; R454-L456 PolarHBondContact O-N 2.99Å; L456-Y458 PolarHBondContact O-N 2.92Å; L456-F459 PolarHBondContact O-N 3.33Å; L456-V460 VanDerWaalsContact O-CG2 3.29Å; L456-V460 WeakPolarHBondContact O-CG2 3.41Å; L456-V460 PolarHBondContact O-N 3.03Å
457	A	41.6	Very low	43.9	Very low	61 Å²	61	58.2 Å²	58.2	50%	0.504	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-41.4	177.7	0	0	0	0	0	112.2	S453 R454 V460 A461	S453-A457 PolarHBondContact O-N 3.43Å; R454-A457 PolarHBondContact O-N 3.15Å; A457-V460 PolarHBondContact O-N 2.97Å; A457-A461 VanDerWaalsContact O-CB 3.28Å; A457-A461 WeakPolarHBondContact O-CB 3.31Å; A457-A461 PolarHBondContact O-N 3.27Å
458	Y	41	Very low	45.2	Very low	60 Å²	60	61 Å²	61	24%	0.235	36%	0.357	C	S	.	.	H	α-helix	trans	-67.6	-38.4	175.2	-70.9	-59.2	0	0	0	112.4	R454 Y455 L456 A462	R454-Y458 HydrophobicContact CB-CD2 4.39Å; R454-Y458 HydrophobicContact CB-CE2 4.15Å; R454-Y458 WeakPolarHBondContact O-CD2 3.37Å; R454-Y458 PolarHBondContact O-N 2.94Å; Y455-Y458 PolarHBondContact O-N 2.79Å; L456-Y458 PolarHBondContact O-N 2.92Å; Y458-A462 WeakPolarHBondContact O-CB 3.23Å; Y458-A462 PolarHBondContact O-N 3.22Å
459	F	47.3	Very low	46.2	Very low	100 Å²	100	65.9 Å²	65.9	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-43.4	174.5	-107.3	-87.9	0	0	0	112.2	Y455 L456 A463	Y455-F459 WeakPolarHBondContact O-CB 3.13Å; Y455-F459 PolarHBondContact O-N 2.96Å; L456-F459 PolarHBondContact O-N 3.33Å; F459-A463 VanDerWaalsContact O-CB 3.26Å; F459-A463 WeakPolarHBondContact O-CB 3.42Å; F459-A463 PolarHBondContact O-N 2.9Å
460	V	48.3	Very low	47	Very low	84 Å²	84	68 Å²	68	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-67.7	-44.2	177.5	174.5	0	0	0	0	110.7	L456 A457 A462 A463 V464	L456-V460 VanDerWaalsContact O-CG2 3.29Å; L456-V460 WeakPolarHBondContact O-CG2 3.41Å; L456-V460 PolarHBondContact O-N 3.03Å; A457-V460 PolarHBondContact O-N 2.97Å; V460-A462 PolarHBondContact O-N 3.25Å; V460-A463 PolarHBondContact O-N 3.14Å; V460-V464 HydrophobicContact CG1-CG2 4.38Å; V460-V464 WeakPolarHBondContact O-CB 3.48Å; V460-V464 VanDerWaalsContact O-CG2 3.25Å; V460-V464 WeakPolarHBondContact O-CG2 3.41Å; V460-V464 PolarHBondContact O-N 3.05Å
461	A	47.3	Very low	47.8	Very low	57 Å²	57	69.5 Å²	69.5	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-41.1	176.9	0	0	0	0	0	112.2	A457 V464 A465	A457-A461 VanDerWaalsContact O-CB 3.28Å; A457-A461 WeakPolarHBondContact O-CB 3.31Å; A457-A461 PolarHBondContact O-N 3.27Å; A461-V464 PolarHBondContact O-N 2.86Å; A461-A465 WeakPolarHBondContact O-CB 3.46Å; A461-A465 PolarHBondContact O-N 2.9Å
462	A	47.8	Very low	48.4	Very low	39 Å²	39	71.8 Å²	71.8	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-65.6	-42.8	174.6	0	0	0	0	0	111.7	Y458 V460 V464 A465 V466	Y458-A462 WeakPolarHBondContact O-CB 3.23Å; Y458-A462 PolarHBondContact O-N 3.22Å; V460-A462 PolarHBondContact O-N 3.25Å; A462-V464 VanDerWaalsContact C-N 3.34Å; A462-V464 PolarHBondContact O-N 3.1Å; A462-A465 PolarHBondContact O-N 2.87Å; A462-V466 WeakPolarHBondContact O-CB 3.31Å; A462-V466 VanDerWaalsContact O-CG2 3.28Å; A462-V466 WeakPolarHBondContact O-CG2 3.31Å; A462-V466 PolarHBondContact O-N 3.33Å
463	A	48.9	Very low	49.2	Very low	38 Å²	38	74.2 Å²	74.2	31%	0.314	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-39.8	176.2	0	0	0	0	0	112.1	F459 V460 V466 T467	F459-A463 VanDerWaalsContact O-CB 3.26Å; F459-A463 WeakPolarHBondContact O-CB 3.42Å; F459-A463 PolarHBondContact O-N 2.9Å; V460-A463 PolarHBondContact O-N 3.14Å; A463-V466 PolarHBondContact O-N 2.82Å; A463-T467 PolarHBondContact O-N 2.83Å; A463-T467 PolarHBondContact O-OG1 3.08Å
464	V	53.7	Low	49.7	Very low	73 Å²	73	74.9 Å²	74.9	44%	0.442	46%	0.455	S	S	.	.	H	α-helix	trans	-66.3	-44.3	174.6	172.3	0	0	0	0	111.2	V460 A461 A462 V466 T467 I468	V460-V464 HydrophobicContact CG1-CG2 4.38Å; V460-V464 WeakPolarHBondContact O-CB 3.48Å; V460-V464 VanDerWaalsContact O-CG2 3.25Å; V460-V464 WeakPolarHBondContact O-CG2 3.41Å; V460-V464 PolarHBondContact O-N 3.05Å; A461-V464 PolarHBondContact O-N 2.86Å; A462-V464 VanDerWaalsContact C-N 3.34Å; A462-V464 PolarHBondContact O-N 3.1Å; V464-V466 VanDerWaalsContact C-N 3.34Å; V464-V466 PolarHBondContact O-N 2.85Å; V464-T467 VanDerWaalsContact CA-OG1 3.27Å; V464-T467 WeakPolarHBondContact CA-OG1 3.13Å; V464-T467 PolarHBondContact O-N 3.07Å; V464-T467 PolarHBondContact O-OG1 3.14Å; V464-T467 VanDerWaalsContact O-OG1 3.1Å; V464-I468 HydrophobicContact CG1-CD1 3.86Å; V464-I468 HydrophobicContact CG1-CG1 4.48Å; V464-I468 VanDerWaalsContact O-CG1 3.32Å; V464-I468 WeakPolarHBondContact O-CG1 3.13Å; V464-I468 PolarHBondContact O-N 3.22Å
465	A	53.7	Low	50.4	Low	46 Å²	46	75.6 Å²	75.6	38%	0.38	48%	0.479	S	S	.	.	H	α-helix	trans	-61.9	-41.1	176.3	0	0	0	0	0	112.1	A461 A462 I468 L469	A461-A465 WeakPolarHBondContact O-CB 3.46Å; A461-A465 PolarHBondContact O-N 2.9Å; A462-A465 PolarHBondContact O-N 2.87Å; A465-I468 PolarHBondContact O-N 2.83Å; A465-L469 WeakPolarHBondContact O-CB 3.44Å; A465-L469 WeakPolarHBondContact O-CG 3.44Å; A465-L469 PolarHBondContact O-N 2.96Å
466	V	54.8	Low	51.1	Low	71 Å²	71	79 Å²	79	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-37.8	175.4	170.9	0	0	0	0	111.5	A462 A463 V464 L469 L470	A462-V466 WeakPolarHBondContact O-CB 3.31Å; A462-V466 VanDerWaalsContact O-CG2 3.28Å; A462-V466 WeakPolarHBondContact O-CG2 3.31Å; A462-V466 PolarHBondContact O-N 3.33Å; A463-V466 PolarHBondContact O-N 2.82Å; V464-V466 VanDerWaalsContact C-N 3.34Å; V464-V466 PolarHBondContact O-N 2.85Å; V466-L469 PolarHBondContact O-N 2.88Å; V466-L470 HydrophobicContact CG1-CD1 3.59Å; V466-L470 HydrophobicContact CG1-CG 4.27Å; V466-L470 VanDerWaalsContact O-CB 3.28Å; V466-L470 WeakPolarHBondContact O-CB 3.27Å; V466-L470 VanDerWaalsContact O-CG 3.31Å; V466-L470 WeakPolarHBondContact O-CG 3.45Å; V466-L470 PolarHBondContact O-N 3.38Å
467	T	54.4	Low	51.7	Low	58 Å²	58	76.8 Å²	76.8	36%	0.356	49%	0.491	S	S	.	.	H	α-helix	trans	-70.2	-31.4	174.6	23.2	0	0	0	0	113	A463 V464 G471	A463-T467 PolarHBondContact O-N 2.83Å; A463-T467 PolarHBondContact O-OG1 3.08Å; V464-T467 VanDerWaalsContact CA-OG1 3.27Å; V464-T467 WeakPolarHBondContact CA-OG1 3.13Å; V464-T467 PolarHBondContact O-N 3.07Å; V464-T467 PolarHBondContact O-OG1 3.14Å; V464-T467 VanDerWaalsContact O-OG1 3.1Å; T467-G471 VanDerWaalsContact O-CA 3.3Å; T467-G471 WeakPolarHBondContact O-CA 3.41Å; T467-G471 PolarHBondContact O-N 3.27Å
468	I	58.2	Low	52.5	Low	122 Å²	122	78.3 Å²	78.3	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-71.1	-43.5	172.9	-66.7	166.8	0	0	0	110.6	V464 A465 G471 G472	V464-I468 HydrophobicContact CG1-CD1 3.86Å; V464-I468 HydrophobicContact CG1-CG1 4.48Å; V464-I468 VanDerWaalsContact O-CG1 3.32Å; V464-I468 WeakPolarHBondContact O-CG1 3.13Å; V464-I468 PolarHBondContact O-N 3.22Å; A465-I468 PolarHBondContact O-N 2.83Å; I468-G471 PolarHBondContact O-N 2.93Å; I468-G472 PolarHBondContact O-N 2.9Å; I468-G472 VanDerWaalsContact O-N 3.1Å
469	L	55.2	Low	53.3	Low	135 Å²	135	80 Å²	80	71%	0.707	52%	0.517	S	S	*	.	H	α-helix	trans	-66.2	-39.7	178.1	-79.6	162.3	0	0	0	112.6	A465 V466	A465-L469 WeakPolarHBondContact O-CB 3.44Å; A465-L469 WeakPolarHBondContact O-CG 3.44Å; A465-L469 PolarHBondContact O-N 2.96Å; V466-L469 PolarHBondContact O-N 2.88Å
470	L	54.6	Low	53.6	Low	83 Å²	83	83 Å²	83	44%	0.435	53%	0.534	S	S	.	.	H	α-helix	trans	-79.8	-27	174.7	-67.7	171.4	0	0	0	112.5	V466 G472 L473 A474	V466-L470 HydrophobicContact CG1-CD1 3.59Å; V466-L470 HydrophobicContact CG1-CG 4.27Å; V466-L470 VanDerWaalsContact O-CB 3.28Å; V466-L470 WeakPolarHBondContact O-CB 3.27Å; V466-L470 VanDerWaalsContact O-CG 3.31Å; V466-L470 WeakPolarHBondContact O-CG 3.45Å; V466-L470 PolarHBondContact O-N 3.38Å; L470-G472 PolarHBondContact O-N 3.41Å; L470-L473 HydrophobicContact CD2-CD1 4.39Å; L470-L473 WeakPolarHBondContact O-CA 3.35Å; L470-L473 WeakPolarHBondContact O-CB 3.37Å; L470-L473 PolarHBondContact O-N 2.89Å; L470-A474 PolarHBondContact O-N 2.97Å
471	G	54.8	Low	53.9	Low	43 Å²	43	83.7 Å²	83.7	44%	0.443	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-28.2	171.8	0	0	0	0	0	112.7	T467 I468 L473 A474	T467-G471 VanDerWaalsContact O-CA 3.3Å; T467-G471 WeakPolarHBondContact O-CA 3.41Å; T467-G471 PolarHBondContact O-N 3.27Å; I468-G471 PolarHBondContact O-N 2.93Å; G471-L473 PolarHBondContact O-N 3.19Å; G471-A474 VanDerWaalsContact O-CB 3.23Å; G471-A474 WeakPolarHBondContact O-CB 3.35Å; G471-A474 PolarHBondContact O-N 3.06Å; G471-A474 VanDerWaalsContact O-N 3.14Å
472	G	55.6	Low	54.3	Low	65 Å²	65	83.7 Å²	83.7	67%	0.67	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.9	168.1	0	0	0	0	0	114.3	I468 L470	I468-G472 PolarHBondContact O-N 2.9Å; I468-G472 VanDerWaalsContact O-N 3.1Å; L470-G472 PolarHBondContact O-N 3.41Å
473	L	53	Low	54.7	Low	103 Å²	103	88.1 Å²	88.1	54%	0.539	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.5	1.5	175.3	-70.1	163.6	0	0	0	113	L470 G471 A475 I476	L470-L473 HydrophobicContact CD2-CD1 4.39Å; L470-L473 WeakPolarHBondContact O-CA 3.35Å; L470-L473 WeakPolarHBondContact O-CB 3.37Å; L470-L473 PolarHBondContact O-N 2.89Å; G471-L473 PolarHBondContact O-N 3.19Å; L473-A475 PolarHBondContact O-N 2.95Å; L473-I476 PolarHBondContact O-N 3.42Å
474	A	49.9	Very low	55.4	Low	62 Å²	62	87.9 Å²	87.9	51%	0.512	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.6	2.6	-179	0	0	0	0	0	114.5	L470 G471 I476	L470-A474 PolarHBondContact O-N 2.97Å; G471-A474 VanDerWaalsContact O-CB 3.23Å; G471-A474 WeakPolarHBondContact O-CB 3.35Å; G471-A474 PolarHBondContact O-N 3.06Å; G471-A474 VanDerWaalsContact O-N 3.14Å; A474-I476 VanDerWaalsContact C-N 3.29Å
475	A	54.8	Low	55.8	Low	99 Å²	99	87.7 Å²	87.7	82%	0.818	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.1	169.5	0	0	0	0	0	113.6	L473	L473-A475 PolarHBondContact O-N 2.95Å
476	I	57.6	Low	56.3	Low	140 Å²	140	87.9 Å²	87.9	72%	0.718	55%	0.546	S	S	*	.	S	Bend	trans	-126.7	-0.7	-167.6	-41	175.1	0	0	0	113.1	L473 A474	L473-I476 PolarHBondContact O-N 3.42Å; A474-I476 VanDerWaalsContact C-N 3.29Å
477	V	54.2	Low	57.1	Low	74 Å²	74	88.7 Å²	88.7	45%	0.448	55%	0.551	S	S	.	*	S	Bend	trans	-125.5	128.9	-176.4	-170.5	0	0	0	0	110.6	S479 I481	V477-S479 PolarHBondContact O-N 3Å; V477-I481 HydrophobicContact CG1-CB 3.87Å; V477-I481 HydrophobicContact CG1-CD1 3.77Å; V477-I481 HydrophobicContact CG1-CG1 4.31Å; V477-I481 HydrophobicContact CG1-CG2 4.18Å
478	P	58	Low	58.1	Low	93 Å²	93	89.7 Å²	89.7	60%	0.604	56%	0.557	S	S	*	*			trans	-51	133.5	178.9	-25.3	32.5	0	0	0	111.9	M480 I481	P478-M480 PolarHBondContact O-N 3.43Å; P478-I481 PolarHBondContact O-N 2.87Å
479	S	56.3	Low	58.6	Low	95 Å²	95	87.1 Å²	87.1	66%	0.664	54%	0.544	S	S	*	.	H	α-helix	trans	-51.4	-14.6	-173.5	55.7	0	0	0	0	115.9	V477	V477-S479 PolarHBondContact O-N 3Å
480	M	55	Low	59.4	Low	162 Å²	162	86.6 Å²	86.6	80%	0.798	54%	0.541	S	S	*	.	H	α-helix	trans	-74.4	-25.4	176.3	-65	-68.5	-131.8	0	0	113.6	P478	P478-M480 PolarHBondContact O-N 3.43Å
481	I	54.9	Low	60.3	Low	99 Å²	99	86 Å²	86	51%	0.508	54%	0.541	S	S	.	.	H	α-helix	trans	-85.1	-27.9	179.8	-60.7	173.9	0	0	0	111	V477 P478 L483 G484	V477-I481 HydrophobicContact CG1-CB 3.87Å; V477-I481 HydrophobicContact CG1-CD1 3.77Å; V477-I481 HydrophobicContact CG1-CG1 4.31Å; V477-I481 HydrophobicContact CG1-CG2 4.18Å; P478-I481 PolarHBondContact O-N 2.87Å; I481-L483 VanDerWaalsContact C-N 3.3Å; I481-L483 PolarHBondContact O-N 3.05Å; I481-G484 PolarHBondContact O-N 3.09Å; I481-G484 VanDerWaalsContact O-N 3.17Å
482	A	55.1	Low	61	Low	58 Å²	58	88.2 Å²	88.2	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-66.4	-26.5	-179.2	0	0	0	0	0	113.9	P486	A482-P486 WeakPolarHBondContact O-CD 3.2Å
483	L	55.6	Low	61.5	Low	131 Å²	131	87.5 Å²	87.5	69%	0.686	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-21.7	174.7	-80.4	163.2	0	0	0	113.5	I481 V487	I481-L483 VanDerWaalsContact C-N 3.3Å; I481-L483 PolarHBondContact O-N 3.05Å; L483-V487 WeakPolarHBondContact O-CG2 3.32Å
484	G	64.7	Low	62.4	Low	33 Å²	33	85.3 Å²	85.3	34%	0.34	53%	0.526	S	S	.	.	H	α-helix	trans	-70.4	-38.9	179.7	0	0	0	0	0	112.5	I481 V487 V488	I481-G484 PolarHBondContact O-N 3.09Å; I481-G484 VanDerWaalsContact O-N 3.17Å; G484-V487 PolarHBondContact O-N 3.37Å; G484-V488 WeakPolarHBondContact O-CB 3.14Å; G484-V488 VanDerWaalsContact O-CG2 3.24Å; G484-V488 WeakPolarHBondContact O-CG2 3.36Å; G484-V488 PolarHBondContact O-N 3.23Å
485	I	60.8	Low	63.4	Low	69 Å²	69	87.7 Å²	87.7	35%	0.354	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-47.2	-173.5	-60.5	171.7	0	0	0	112.4	V487 V488 L489	I485-V487 VanDerWaalsContact C-N 3.34Å; I485-V487 PolarHBondContact O-N 3.23Å; I485-V488 PolarHBondContact O-N 3.01Å; I485-L489 HydrophobicContact CG2-CD1 3.96Å; I485-L489 HydrophobicContact CG2-CG 4.35Å; I485-L489 WeakPolarHBondContact O-CB 3.46Å; I485-L489 VanDerWaalsContact O-CG 3.3Å; I485-L489 WeakPolarHBondContact O-CG 3.3Å; I485-L489 PolarHBondContact O-N 2.83Å
486	P	65.8	Low	63.9	Low	50 Å²	50	86.7 Å²	86.7	33%	0.325	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-38.8	175.9	-23.5	33.9	0	0	0	113.2	A482 L489 L490	A482-P486 WeakPolarHBondContact O-CD 3.2Å; P486-L489 PolarHBondContact O-N 2.88Å; P486-L490 WeakPolarHBondContact O-CB 3.5Å; P486-L490 VanDerWaalsContact O-CG 3.28Å; P486-L490 WeakPolarHBondContact O-CG 3.29Å; P486-L490 PolarHBondContact O-N 3.24Å
487	V	71.5	Confident	63.9	Low	89 Å²	89	88 Å²	88	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-42	178.4	177.3	0	0	0	0	110.7	L483 G484 I485 L490 T491	L483-V487 WeakPolarHBondContact O-CG2 3.32Å; G484-V487 PolarHBondContact O-N 3.37Å; I485-V487 VanDerWaalsContact C-N 3.34Å; I485-V487 PolarHBondContact O-N 3.23Å; V487-L490 PolarHBondContact O-N 3.4Å; V487-T491 WeakPolarHBondContact O-CB 3.45Å; V487-T491 PolarHBondContact O-N 2.97Å; V487-T491 PolarHBondContact O-OG1 3.12Å
488	V	74.3	Confident	64.1	Low	78 Å²	78	86.6 Å²	86.6	47%	0.473	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-42.6	174.8	171.4	0	0	0	0	110.9	G484 I485 T491 L492	G484-V488 WeakPolarHBondContact O-CB 3.14Å; G484-V488 VanDerWaalsContact O-CG2 3.24Å; G484-V488 WeakPolarHBondContact O-CG2 3.36Å; G484-V488 PolarHBondContact O-N 3.23Å; I485-V488 PolarHBondContact O-N 3.01Å; V488-T491 VanDerWaalsContact CA-OG1 3.26Å; V488-T491 WeakPolarHBondContact CA-OG1 3.25Å; V488-T491 PolarHBondContact O-N 3.24Å; V488-T491 PolarHBondContact O-OG1 3.23Å; V488-L492 HydrophobicContact CG1-CD1 3.8Å; V488-L492 WeakPolarHBondContact O-CB 3.48Å; V488-L492 PolarHBondContact O-N 3.05Å
489	L	69.9	Low	63.9	Low	68 Å²	68	84.6 Å²	84.6	36%	0.356	49%	0.493	S	S	.	.	H	α-helix	trans	-67	-40.6	177	-71.5	173.8	0	0	0	112.3	I485 P486 L492 A493	I485-L489 HydrophobicContact CG2-CD1 3.96Å; I485-L489 HydrophobicContact CG2-CG 4.35Å; I485-L489 WeakPolarHBondContact O-CB 3.46Å; I485-L489 VanDerWaalsContact O-CG 3.3Å; I485-L489 WeakPolarHBondContact O-CG 3.3Å; I485-L489 PolarHBondContact O-N 2.83Å; P486-L489 PolarHBondContact O-N 2.88Å; L489-L492 PolarHBondContact O-N 3.37Å; L489-A493 VanDerWaalsContact O-CB 3.27Å; L489-A493 WeakPolarHBondContact O-CB 3.5Å; L489-A493 PolarHBondContact O-N 2.86Å
490	L	72	Confident	63.5	Low	125 Å²	125	87.2 Å²	87.2	65%	0.654	49%	0.489	S	S	*	.	H	α-helix	trans	-66.4	-39.8	175.4	-75.5	170.6	0	0	0	111.9	P486 V487 A493 A494	P486-L490 WeakPolarHBondContact O-CB 3.5Å; P486-L490 VanDerWaalsContact O-CG 3.28Å; P486-L490 WeakPolarHBondContact O-CG 3.29Å; P486-L490 PolarHBondContact O-N 3.24Å; V487-L490 PolarHBondContact O-N 3.4Å; L490-A493 PolarHBondContact O-N 3.47Å; L490-A494 VanDerWaalsContact O-CB 3.28Å; L490-A494 WeakPolarHBondContact O-CB 3.46Å; L490-A494 PolarHBondContact O-N 2.89Å
491	T	71.9	Confident	63.2	Low	71 Å²	71	83.7 Å²	83.7	44%	0.436	47%	0.474	S	S	.	.	H	α-helix	trans	-68.1	-41.7	174.4	38.5	0	0	0	0	111.6	V487 V488 A494 I495	V487-T491 WeakPolarHBondContact O-CB 3.45Å; V487-T491 PolarHBondContact O-N 2.97Å; V487-T491 PolarHBondContact O-OG1 3.12Å; V488-T491 VanDerWaalsContact CA-OG1 3.26Å; V488-T491 WeakPolarHBondContact CA-OG1 3.25Å; V488-T491 PolarHBondContact O-N 3.24Å; V488-T491 PolarHBondContact O-OG1 3.23Å; T491-A494 PolarHBondContact O-N 2.96Å; T491-I495 WeakPolarHBondContact O-CB 3.31Å; T491-I495 WeakPolarHBondContact O-CD1 3.37Å; T491-I495 WeakPolarHBondContact O-CG1 3.47Å; T491-I495 PolarHBondContact O-N 2.91Å
492	L	70.6	Confident	62.6	Low	89 Å²	89	87.3 Å²	87.3	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-45.6	172	-104.5	133	0	0	0	111.9	V488 L489 A494 I495 I496	V488-L492 HydrophobicContact CG1-CD1 3.8Å; V488-L492 WeakPolarHBondContact O-CB 3.48Å; V488-L492 PolarHBondContact O-N 3.05Å; L489-L492 PolarHBondContact O-N 3.37Å; L492-A494 VanDerWaalsContact C-N 3.32Å; L492-A494 PolarHBondContact O-N 3.47Å; L492-I495 PolarHBondContact O-N 3.32Å; L492-I496 HydrophobicContact CD2-CD1 4.25Å; L492-I496 WeakPolarHBondContact O-CB 3.38Å; L492-I496 WeakPolarHBondContact O-CG1 3.2Å; L492-I496 PolarHBondContact O-N 3.42Å
493	A	66.3	Low	61.8	Low	49 Å²	49	92.5 Å²	92.5	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-39.8	176.5	0	0	0	0	0	111.7	L489 L490 R497	L489-A493 VanDerWaalsContact O-CB 3.27Å; L489-A493 WeakPolarHBondContact O-CB 3.5Å; L489-A493 PolarHBondContact O-N 2.86Å; L490-A493 PolarHBondContact O-N 3.47Å; A493-R497 WeakPolarHBondContact O-CB 3.33Å; A493-R497 PolarHBondContact O-N 3.38Å
494	A	70.9	Confident	60.9	Low	57 Å²	57	94.4 Å²	94.4	47%	0.471	49%	0.491	S	S	.	.	H	α-helix	trans	-67.1	-39.6	174.6	0	0	0	0	0	112.3	L490 T491 L492 A498	L490-A494 VanDerWaalsContact O-CB 3.28Å; L490-A494 WeakPolarHBondContact O-CB 3.46Å; L490-A494 PolarHBondContact O-N 2.89Å; T491-A494 PolarHBondContact O-N 2.96Å; L492-A494 VanDerWaalsContact C-N 3.32Å; L492-A494 PolarHBondContact O-N 3.47Å; A494-A498 WeakPolarHBondContact O-CB 3.33Å; A494-A498 PolarHBondContact O-N 3.35Å
495	I	70.6	Confident	59.4	Low	113 Å²	113	98.5 Å²	98.5	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-66.7	-44.5	175.1	-70.1	163.6	0	0	0	110.4	T491 L492 A498 A499	T491-I495 WeakPolarHBondContact O-CB 3.31Å; T491-I495 WeakPolarHBondContact O-CD1 3.37Å; T491-I495 WeakPolarHBondContact O-CG1 3.47Å; T491-I495 PolarHBondContact O-N 2.91Å; L492-I495 PolarHBondContact O-N 3.32Å; I495-A498 CarbonylContact O-C 3.58Å; I495-A498 PolarHBondContact O-N 2.69Å; I495-A499 WeakPolarHBondContact O-CB 3.31Å; I495-A499 PolarHBondContact O-N 2.85Å
496	I	65.8	Low	58	Low	78 Å²	78	102.6 Å²	102.6	40%	0.4	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-46.1	176.4	-69	165.2	0	0	0	109.7	L492 A498 A499 Y500	L492-I496 HydrophobicContact CD2-CD1 4.25Å; L492-I496 WeakPolarHBondContact O-CB 3.38Å; L492-I496 WeakPolarHBondContact O-CG1 3.2Å; L492-I496 PolarHBondContact O-N 3.42Å; I496-A498 PolarHBondContact O-N 3.5Å; I496-A499 PolarHBondContact O-N 3.3Å; I496-Y500 VanDerWaalsContact O-CB 3.29Å; I496-Y500 WeakPolarHBondContact O-CB 3.35Å; I496-Y500 PolarHBondContact O-N 2.92Å
497	R	56.7	Low	56.4	Low	167 Å²	167	107.2 Å²	107.2	63%	0.63	54%	0.54	S	S	*	.	H	α-helix	trans	-58.1	-47.3	173.9	-179.5	-177.7	178.7	-178.7	2.4	111.3	A493 Y500 L501	A493-R497 WeakPolarHBondContact O-CB 3.33Å; A493-R497 PolarHBondContact O-N 3.38Å; R497-Y500 PolarHBondContact O-N 2.95Å; R497-L501 HydrophobicContact CG-CD1 3.78Å; R497-L501 HydrophobicContact CG-CG 4.47Å; R497-L501 VanDerWaalsContact O-CB 3.29Å; R497-L501 WeakPolarHBondContact O-CB 3.36Å; R497-L501 VanDerWaalsContact O-CG 3.3Å; R497-L501 WeakPolarHBondContact O-CG 3.33Å; R497-L501 PolarHBondContact O-N 3.36Å
498	A	60.2	Low	54.4	Low	45 Å²	45	111.4 Å²	111.4	37%	0.372	55%	0.554	S	S	.	*	H	α-helix	trans	-66.8	-36	178.8	0	0	0	0	0	111.9	A494 I495 I496 R502	A494-A498 WeakPolarHBondContact O-CB 3.33Å; A494-A498 PolarHBondContact O-N 3.35Å; I495-A498 CarbonylContact O-C 3.58Å; I495-A498 PolarHBondContact O-N 2.69Å; I496-A498 PolarHBondContact O-N 3.5Å; A498-R502 WeakPolarHBondContact O-CA 3.33Å; A498-R502 WeakPolarHBondContact O-CB 3.39Å; A498-R502 WeakPolarHBondContact O-CG 3.42Å; A498-R502 PolarHBondContact O-N 3.08Å
499	A	53.8	Low	52.3	Low	51 Å²	51	115 Å²	115	42%	0.421	57%	0.565	S	S	.	*	H	α-helix	trans	-70.9	-38.6	175.5	0	0	0	0	0	111.6	I495 I496 K503	I495-A499 WeakPolarHBondContact O-CB 3.31Å; I495-A499 PolarHBondContact O-N 2.85Å; I496-A499 PolarHBondContact O-N 3.3Å; A499-K503 VanDerWaalsContact O-CB 3.29Å; A499-K503 WeakPolarHBondContact O-CB 3.35Å; A499-K503 PolarHBondContact O-N 3.14Å
500	Y	47.3	Very low	50.3	Low	149 Å²	149	117.7 Å²	117.7	58%	0.584	59%	0.587	S	S	*	*	H	α-helix	trans	-68.8	-45.9	176.3	-151.1	-89.2	0	0	0	110.9	I496 R497 K503 W504	I496-Y500 VanDerWaalsContact O-CB 3.29Å; I496-Y500 WeakPolarHBondContact O-CB 3.35Å; I496-Y500 PolarHBondContact O-N 2.92Å; R497-Y500 PolarHBondContact O-N 2.95Å; Y500-K503 PolarHBondContact O-N 3.16Å; Y500-W504 PolarHBondContact O-N 3.24Å
501	L	48.4	Very low	48.2	Very low	89 Å²	89	119.4 Å²	119.4	47%	0.466	60%	0.595	S	S	.	*	H	α-helix	trans	-67.3	-42.4	174.5	-71.7	169.5	0	0	0	112	R497 W504 I505	R497-L501 HydrophobicContact CG-CD1 3.78Å; R497-L501 HydrophobicContact CG-CG 4.47Å; R497-L501 VanDerWaalsContact O-CB 3.29Å; R497-L501 WeakPolarHBondContact O-CB 3.36Å; R497-L501 VanDerWaalsContact O-CG 3.3Å; R497-L501 WeakPolarHBondContact O-CG 3.33Å; R497-L501 PolarHBondContact O-N 3.36Å; L501-W504 CarbonylContact O-C 3.53Å; L501-W504 PolarHBondContact O-N 3.08Å; L501-I505 WeakPolarHBondContact O-CD1 3.39Å; L501-I505 VanDerWaalsContact O-CG1 3.25Å; L501-I505 WeakPolarHBondContact O-CG1 3.38Å; L501-I505 PolarHBondContact O-N 3Å
502	R	42.6	Very low	46.2	Very low	174 Å²	174	125.2 Å²	125.2	66%	0.657	61%	0.614	S	S	*	*	H	α-helix	trans	-65.7	-38.4	175.5	-85.3	-178	166.4	169.7	-3.3	112.1	A498 W504 I505 F506	A498-R502 WeakPolarHBondContact O-CA 3.33Å; A498-R502 WeakPolarHBondContact O-CB 3.39Å; A498-R502 WeakPolarHBondContact O-CG 3.42Å; A498-R502 PolarHBondContact O-N 3.08Å; R502-W504 PolarHBondContact O-N 3.21Å; R502-I505 PolarHBondContact O-N 2.91Å; R502-I505 VanDerWaalsContact O-N 3.08Å; R502-F506 WeakPolarHBondContact O-CD2 3.48Å; R502-F506 PolarHBondContact O-N 2.87Å
503	K	37.7	Very low	44.2	Very low	167 Å²	167	129.7 Å²	129.7	73%	0.726	64%	0.635	S	S	*	*	H	α-helix	trans	-65.1	-24.9	174	-97.3	-173.2	168.1	-176.7	0	112.9	A499 Y500	A499-K503 VanDerWaalsContact O-CB 3.29Å; A499-K503 WeakPolarHBondContact O-CB 3.35Å; A499-K503 PolarHBondContact O-N 3.14Å; Y500-K503 PolarHBondContact O-N 3.16Å
504	W	36.2	Very low	42.4	Very low	171 Å²	171	133.5 Å²	133.5	65%	0.648	66%	0.657	S	S	*	*	H	α-helix	trans	-84.3	-21.1	170.9	-87.9	85.5	0	0	0	113.9	Y500 L501 R502	Y500-W504 PolarHBondContact O-N 3.24Å; L501-W504 CarbonylContact O-C 3.53Å; L501-W504 PolarHBondContact O-N 3.08Å; R502-W504 PolarHBondContact O-N 3.21Å
505	I	35	Very low	40.4	Very low	119 Å²	119	138.3 Å²	138.3	61%	0.61	68%	0.675	S	S	*	*	H	α-helix	trans	-89.6	-13	178.2	-69	163.1	0	0	0	112.8	L501 R502 L507	L501-I505 WeakPolarHBondContact O-CD1 3.39Å; L501-I505 VanDerWaalsContact O-CG1 3.25Å; L501-I505 WeakPolarHBondContact O-CG1 3.38Å; L501-I505 PolarHBondContact O-N 3Å; R502-I505 PolarHBondContact O-N 2.91Å; R502-I505 VanDerWaalsContact O-N 3.08Å; I505-L507 VanDerWaalsContact C-N 3.34Å; I505-L507 PolarHBondContact O-N 3.25Å
506	F	30.4	Very low	38.4	Very low	155 Å²	155	146.3 Å²	146.3	68%	0.68	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	7.2	179.7	-96.7	-78.6	0	0	0	116	R502	R502-F506 WeakPolarHBondContact O-CD2 3.48Å; R502-F506 PolarHBondContact O-N 2.87Å
507	L	31.8	Very low	37	Very low	147 Å²	147	149.8 Å²	149.8	77%	0.77	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	16.5	172	-85.2	158.8	0	0	0	113.8	I505	I505-L507 VanDerWaalsContact C-N 3.34Å; I505-L507 PolarHBondContact O-N 3.25Å
508	H	30.9	Very low	36	Very low	178 Å²	178	148.8 Å²	148.8	82%	0.824	73%	0.726	S	S	*	*			trans	-119.5	55.9	175.8	-83.1	-12.3	0	0	0	112.7
509	Q	29.6	Very low	34.6	Very low	153 Å²	153	154.6 Å²	154.6	72%	0.715	75%	0.745	S	S	*	*			trans	-120.9	127.9	156.8	-73.1	-155.3	-32.7	0	0	110.4	I511	Q509-I511 PolarHBondContact O-N 3.29Å; Q509-I511 VanDerWaalsContact O-N 3.11Å
510	P	27	Very low	33.5	Very low	124 Å²	124	160.7 Å²	160.7	81%	0.805	76%	0.764	S	S	*	*			trans	-68.8	109.9	178.3	27.7	-30.7	0	0	0	108.7	K512	P510-K512 PolarHBondContact O-N 3.25Å
511	I	29.4	Very low	32.6	Very low	162 Å²	162	161.4 Å²	161.4	83%	0.831	78%	0.775	S	S	*	*			trans	-72.4	109.7	164.4	-59	177.4	0	0	0	105.8	Q509 M513	Q509-I511 PolarHBondContact O-N 3.29Å; Q509-I511 VanDerWaalsContact O-N 3.11Å; I511-M513 PolarHBondContact O-N 2.92Å
512	K	30	Very low	31.6	Very low	193 Å²	193	166.3 Å²	166.3	84%	0.839	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-50.2	123.4	172.9	-73.4	178.7	174	-179.7	0	109.3	P510 C514	P510-K512 PolarHBondContact O-N 3.25Å; K512-C514 PolarHBondContact O-N 3.3Å
513	M	28.6	Very low	30.8	Very low	183 Å²	183	165.7 Å²	165.7	90%	0.901	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.4	128.5	164.9	-62.8	-177.9	91.4	0	0	108	I511	I511-M513 PolarHBondContact O-N 2.92Å
514	C	28.5	Very low	30.2	Very low	128 Å²	128	165.6 Å²	165.6	87%	0.865	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-87.6	120.3	157	-75.4	0	0	0	0	107.1	K512	K512-C514 PolarHBondContact O-N 3.3Å
515	D	27.1	Very low	29.8	Very low	158 Å²	158	165.2 Å²	165.2	85%	0.845	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-55.6	134.6	169.7	-71.2	-47.6	0	0	0	111.6
516	K	28.7	Very low	29.3	Very low	282 Å²	282	169.4 Å²	169.4	100%	1.226	85%	0.846	S	S	*	*			trans	-159.3	0	137.3	-107.9	-175.2	-172.8	-175.7	0	111

Retrieved 516 of 516 residues in 476.2 ms (Link to these results)

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