A0A077ZNJ8_TRITR Loading...

tRNA-synt 1c and tRNA-synt 1c C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNJ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29	Very low	25.6	Very low	169 Å²	169	114.6 Å²	114.6	83%	0.833	70%	0.695	S	S	*	*				0	100.1	0	-178.9	174.4	157.3	0	0	108.4	T73	M1-T73 HydrophobicContact SD-CG2 4.21Å
2	L	24.3	Very low	25.5	Very low	60 Å²	60	120.8 Å²	120.8	31%	0.314	71%	0.71	S	S	.	*			trans	-104	148.2	167.4	-77	149.5	0	0	0	107.2	V4 V135 L148	L2-V4 PolarHBondContact O-N 3.14Å; L2-V4 VanDerWaalsContact O-N 3.15Å; L2-V135 HydrophobicContact CB-CG2 3.41Å; L2-V135 VanDerWaalsContact CB-CG2 3.41Å; L2-V135 HydrophobicContact CD1-CG2 3.93Å; L2-V135 HydrophobicContact CD2-CG2 4.33Å; L2-V135 HydrophobicContact CG-CG2 4.07Å; L2-L148 HydrophobicContact CD1-CD1 4.41Å; L2-L148 HydrophobicContact CD1-CD2 3.83Å
3	I	25.1	Very low	25.3	Very low	112 Å²	112	125.8 Å²	125.8	57%	0.574	72%	0.723	S	S	*	*			trans	-69	114	-172.9	-59	172.5	0	0	0	108.9
4	V	24.8	Very low	25.4	Very low	125 Å²	125	123.9 Å²	123.9	76%	0.758	71%	0.714	S	S	*	*			trans	-98.7	143	162.8	-171.4	0	0	0	0	107	L2	L2-V4 PolarHBondContact O-N 3.14Å; L2-V4 VanDerWaalsContact O-N 3.15Å
5	D	23.7	Very low	25.2	Very low	150 Å²	150	123.9 Å²	123.9	80%	0.802	72%	0.717	S	S	*	*			trans	-58.6	137.5	-160.6	-70.4	-60.9	0	0	0	115.6
6	S	24.9	Very low	25.2	Very low	89 Å²	89	122.9 Å²	122.9	62%	0.622	71%	0.713	S	S	*	*			trans	-129.8	136.7	153.5	68.1	0	0	0	0	110.3	K112	S6-K112 PolarHBondContact O-NZ 2.83Å
7	V	25	Very low	25.2	Very low	144 Å²	144	122.9 Å²	122.9	87%	0.873	71%	0.708	S	S	*	*			trans	-71.4	136.9	-167	178.5	0	0	0	0	111.3
8	S	23.9	Very low	25.3	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	72%	0.716	S	S	*	*			trans	-87	126.1	173.1	49.9	0	0	0	0	111.4
9	C	26.4	Very low	25.4	Very low	118 Å²	118	125.3 Å²	125.3	80%	0.797	71%	0.71	S	S	*	*			trans	-135.9	137.6	156	-158.5	0	0	0	0	107.9
10	G	26	Very low	25.4	Very low	72 Å²	72	123.3 Å²	123.3	74%	0.742	70%	0.702	S	S	*	*			trans	-131.4	130	176.2	0	0	0	0	0	109.1
11	I	28.4	Very low	25.6	Very low	119 Å²	119	121.2 Å²	121.2	61%	0.61	70%	0.7	S	S	*	*			trans	-135.6	135.6	175.7	-63	-177.1	0	0	0	108.5
12	Q	24.3	Very low	25.6	Very low	188 Å²	188	122 Å²	122	88%	0.879	70%	0.702	S	S	*	*			trans	-96.5	112	169.7	-66.1	172.5	-54.4	0	0	108.9
13	Q	23.6	Very low	26	Very low	187 Å²	187	125.7 Å²	125.7	87%	0.874	72%	0.721	S	S	*	*			trans	170.5	125	144.4	-98.4	171.1	7	0	0	109.4
14	V	25.6	Very low	26.3	Very low	98 Å²	98	127 Å²	127	59%	0.594	73%	0.728	S	S	*	*			trans	-99.2	120.2	179	174.4	0	0	0	0	109.5	V16 H35	V14-V16 HydrophobicContact CG1-CG2 4.28Å; V14-H35 VanDerWaalsContact CG1-CE1 3.42Å; V14-H35 WeakPolarHBondContact CG1-CE1 3.29Å
15	T	22.4	Very low	26.5	Very low	125 Å²	125	127 Å²	127	77%	0.767	72%	0.722	S	S	*	*			trans	-107.2	120.9	167.4	-60.9	0	0	0	0	108.7
16	V	25.3	Very low	26.5	Very low	107 Å²	107	131.5 Å²	131.5	65%	0.648	73%	0.728	S	S	*	*			trans	-86.6	127.8	178.7	-179.4	0	0	0	0	109.7	V14 F18	V14-V16 HydrophobicContact CG1-CG2 4.28Å; V16-F18 HydrophobicContact CG1-CD2 4.42Å; V16-F18 HydrophobicContact CG1-CE2 4.25Å
17	I	26.6	Very low	26.7	Very low	124 Å²	124	131 Å²	131	64%	0.636	72%	0.722	S	S	*	*			trans	-115.2	123	170.6	-59.4	178.2	0	0	0	107.9
18	F	25.9	Very low	26.7	Very low	191 Å²	191	128 Å²	128	84%	0.838	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-77.5	133.8	173.1	-78.4	-96.9	0	0	0	110.5	V16	V16-F18 HydrophobicContact CG1-CD2 4.42Å; V16-F18 HydrophobicContact CG1-CE2 4.25Å
19	V	28.4	Very low	26.9	Very low	99 Å²	99	129 Å²	129	60%	0.6	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-101.4	137.2	169.4	-177.5	0	0	0	0	107.8	L23	V19-L23 HydrophobicContact CG1-CB 4.24Å; V19-L23 HydrophobicContact CG1-CD1 4.36Å
20	P	24.7	Very low	27	Very low	86 Å²	86	131.9 Å²	131.9	56%	0.558	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-60	148.8	179.7	22.9	-33.6	0	0	0	112.7	E22 L23	P20-E22 PolarHBondContact O-N 3.07Å; P20-L23 PolarHBondContact O-N 2.9Å
21	A	28.8	Very low	27.2	Very low	79 Å²	79	135.6 Å²	135.6	65%	0.653	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-64.8	-11.8	-165.2	0	0	0	0	0	115.5	L23 L24	A21-L23 VanDerWaalsContact C-N 3.27Å; A21-L23 PolarHBondContact O-N 3.14Å; A21-L24 PolarHBondContact O-N 3.36Å
22	E	29.8	Very low	27.1	Very low	187 Å²	187	136.7 Å²	136.7	87%	0.874	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-75.7	-12	-177.9	-69.3	141.5	-177.5	0	0	113.7	P20	P20-E22 PolarHBondContact O-N 3.07Å
23	L	33.5	Very low	27.3	Very low	137 Å²	137	132.5 Å²	132.5	72%	0.717	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-96.7	2.7	173.7	-96.7	138	0	0	0	114.1	V19 P20 A21 I25	V19-L23 HydrophobicContact CG1-CB 4.24Å; V19-L23 HydrophobicContact CG1-CD1 4.36Å; P20-L23 PolarHBondContact O-N 2.9Å; A21-L23 VanDerWaalsContact C-N 3.27Å; A21-L23 PolarHBondContact O-N 3.14Å; L23-I25 VanDerWaalsContact C-N 3.28Å; L23-I25 PolarHBondContact O-N 2.59Å
24	L	29.7	Very low	27.8	Very low	140 Å²	140	128.8 Å²	128.8	73%	0.733	69%	0.693	S	S	*	*			trans	-78.8	72.8	174	-89	158.4	0	0	0	111.6	A21 R26	A21-L24 PolarHBondContact O-N 3.36Å; L24-R26 PolarHBondContact O-N 2.88Å
25	I	29.2	Very low	28.1	Very low	123 Å²	123	128.8 Å²	128.8	63%	0.631	69%	0.686	S	S	*	*			trans	-57.9	130.5	155.5	-63.5	178.2	0	0	0	107.1	L23 V27	L23-I25 VanDerWaalsContact C-N 3.28Å; L23-I25 PolarHBondContact O-N 2.59Å; I25-V27 VanDerWaalsContact C-N 3.31Å; I25-V27 PolarHBondContact O-N 3.37Å
26	R	24.7	Very low	28.5	Very low	245 Å²	245	128 Å²	128	93%	0.925	67%	0.672	S	S	*	*			trans	-65.4	82.6	-176.6	-70.3	179.2	173.7	180	-2.5	112	L24	L24-R26 PolarHBondContact O-N 2.88Å
27	V	28.1	Very low	28.7	Very low	80 Å²	80	127.7 Å²	127.7	49%	0.485	66%	0.664	S	S	.	*			trans	-87.6	124.2	159.8	-174	0	0	0	0	107.1	I25 V29 T85	I25-V27 VanDerWaalsContact C-N 3.31Å; I25-V27 PolarHBondContact O-N 3.37Å; V27-V29 PolarHBondContact O-N 3.39Å; V27-T85 HydrophobicContact CG1-CG2 4.21Å
28	P	26.3	Very low	29.7	Very low	79 Å²	79	124.4 Å²	124.4	51%	0.513	65%	0.647	S	S	.	*			trans	-61.3	128.3	-177	23.4	-32.4	0	0	0	111	F30	P28-F30 PolarHBondContact O-N 2.99Å
29	V	28	Very low	30	Very low	126 Å²	126	119.4 Å²	119.4	76%	0.764	63%	0.629	S	S	*	*			trans	-76.6	94.1	-176.8	-178.2	0	0	0	0	109.7	V27	V27-V29 PolarHBondContact O-N 3.39Å
30	F	27.7	Very low	30.2	Very low	178 Å²	178	124.1 Å²	124.1	78%	0.781	64%	0.635	S	S	*	*			trans	-93	106.8	162.4	-86	-80	0	0	0	110	P28	P28-F30 PolarHBondContact O-N 2.99Å
31	N	29.6	Very low	30.8	Very low	149 Å²	149	128.1 Å²	128.1	80%	0.797	65%	0.651	S	S	*	*	S	Bend	trans	47.6	85.2	171.4	-73.3	-21.5	0	0	0	116.8	T33	N31-T33 PolarHBondContact O-N 3.35Å
32	N	27	Very low	31.1	Very low	142 Å²	142	132.5 Å²	132.5	76%	0.759	66%	0.655	S	S	*	*	S	Bend	trans	29.8	92.8	144.3	-66	-9.8	0	0	0	117
33	T	28.7	Very low	31.4	Very low	100 Å²	100	132.1 Å²	132.1	61%	0.613	65%	0.654	S	S	*	*				149.4	123.3	127.7	-64	0	0	0	0	110.8	N31 H35	N31-T33 PolarHBondContact O-N 3.35Å; T33-H35 WeakPolarHBondContact CG2-CE1 3.39Å; T33-H35 WeakPolarHBondContact CG2-ND1 3.47Å; T33-H35 VanDerWaalsContact CG2-NE2 3.33Å; T33-H35 WeakPolarHBondContact CG2-NE2 3.46Å
34	V	33.7	Very low	31.5	Very low	109 Å²	109	133.3 Å²	133.3	66%	0.661	66%	0.66	S	S	*	*			trans	-106	125.2	166.6	-170.3	0	0	0	0	108.1	F36	V34-F36 HydrophobicContact CB-CE2 4.47Å; V34-F36 HydrophobicContact CG1-CD2 4.14Å; V34-F36 HydrophobicContact CG1-CE2 3.41Å; V34-F36 VanDerWaalsContact CG1-CE2 3.41Å; V34-F36 HydrophobicContact CG1-CZ 3.67Å
35	H	31.2	Very low	31.8	Very low	99 Å²	99	138 Å²	138	46%	0.458	67%	0.668	S	S	.	*			trans	-128.6	139.4	-179.2	-81.2	-15.9	0	0	0	111.3	V14 T33 T53	V14-H35 VanDerWaalsContact CG1-CE1 3.42Å; V14-H35 WeakPolarHBondContact CG1-CE1 3.29Å; T33-H35 WeakPolarHBondContact CG2-CE1 3.39Å; T33-H35 WeakPolarHBondContact CG2-ND1 3.47Å; T33-H35 VanDerWaalsContact CG2-NE2 3.33Å; T33-H35 WeakPolarHBondContact CG2-NE2 3.46Å; H35-T53 WeakPolarHBondContact O-CG2 3.21Å
36	F	31.9	Very low	32.2	Very low	109 Å²	109	142.3 Å²	142.3	48%	0.478	68%	0.678	S	S	.	*			trans	-140.2	140.1	178.9	-52.2	-98.9	0	0	0	109.9	V34 V50 Y51	V34-F36 HydrophobicContact CB-CE2 4.47Å; V34-F36 HydrophobicContact CG1-CD2 4.14Å; V34-F36 HydrophobicContact CG1-CE2 3.41Å; V34-F36 VanDerWaalsContact CG1-CE2 3.41Å; V34-F36 HydrophobicContact CG1-CZ 3.67Å; F36-V50 HydrophobicContact CB-CB 4.19Å; F36-V50 HydrophobicContact CB-CG1 3.36Å; F36-V50 HydrophobicContact CD1-CG1 3.8Å; F36-V50 HydrophobicContact CD2-CG1 4.37Å; F36-V50 HydrophobicContact CG-CG1 3.65Å; F36-Y51 WeakPolarHBondContact CA-O 3.43Å; F36-Y51 VanDerWaalsContact CB-O 3.31Å; F36-Y51 WeakPolarHBondContact CB-O 3.23Å; F36-Y51 VanDerWaalsContact CD1-O 3.25Å; F36-Y51 WeakPolarHBondContact CD1-O 3.33Å
37	E	28.4	Very low	33.1	Very low	99 Å²	99	139.6 Å²	139.6	46%	0.463	67%	0.673	S	S	.	*			trans	-147.9	139.3	164.6	173.9	-175.1	-166.3	0	0	107	R49 Y51	E37-R49 CarbonylContact C-O 3.5Å; E37-R49 WeakPolarHBondContact CA-O 3.32Å; E37-Y51 VanDerWaalsContact O-CA 3.27Å; E37-Y51 WeakPolarHBondContact O-CA 3.3Å; E37-Y51 WeakPolarHBondContact O-CB 3.19Å; E37-Y51 WeakPolarHBondContact O-CD2 3.31Å; E37-Y51 PolarHBondContact O-N 2.8Å
38	I	47.7	Very low	34	Very low	55 Å²	55	141 Å²	141	28%	0.282	68%	0.682	S	S	.	*			trans	-112.4	164.7	177.8	-133.8	178.4	0	0	0	113.4	R49 V50 Y51	I38-R49 HydrophobicContact CB-CB 4.24Å; I38-R49 VanDerWaalsContact CG2-CA 3.44Å; I38-R49 HydrophobicContact CG2-CB 3.72Å; I38-R49 HydrophobicContact CG2-CG 3.9Å; I38-R49 PolarHBondContact N-O 3.06Å; I38-R49 VanDerWaalsContact O-CB 3.3Å; I38-R49 WeakPolarHBondContact O-CB 3.37Å; I38-R49 WeakPolarHBondContact O-CD 3.07Å; I38-V50 VanDerWaalsContact CB-C 3.43Å; I38-V50 VanDerWaalsContact N-N 3.17Å; I38-Y51 HydrophobicContact CB-CD1 4.08Å; I38-Y51 HydrophobicContact CB-CE1 4.36Å; I38-Y51 HydrophobicContact CB-CG 4.15Å; I38-Y51 HydrophobicContact CD1-CD1 4.21Å; I38-Y51 HydrophobicContact CG1-CD1 3.13Å; I38-Y51 HydrophobicContact CG1-CD2 4.46Å; I38-Y51 HydrophobicContact CG1-CE1 3.48Å; I38-Y51 VanDerWaalsContact CG1-CE1 3.48Å; I38-Y51 HydrophobicContact CG1-CG 3.64Å
39	L	31.9	Very low	35.5	Very low	87 Å²	87	144.8 Å²	144.8	46%	0.455	69%	0.686	S	S	.	*			trans	-145.8	117.7	155	-112.2	161.1	0	0	0	112.2	Y51	L39-Y51 WeakPolarHBondContact CA-OH 3.35Å; L39-Y51 HydrophobicContact CB-CE2 4.32Å; L39-Y51 WeakPolarHBondContact CB-OH 3.43Å; L39-Y51 PolarHBondContact N-OH 3.16Å; L39-Y51 VanDerWaalsContact N-OH 3.1Å; L39-Y51 PolarHBondContact O-OH 3.37Å
40	R	33.4	Very low	37.3	Very low	197 Å²	197	142.2 Å²	142.2	74%	0.743	67%	0.671	S	S	*	*			trans	84.5	85	148.6	-143.1	-178.9	-143.8	-163.3	8.6	119.7
41	L	37.1	Very low	39.2	Very low	170 Å²	170	139.3 Å²	139.3	89%	0.89	66%	0.655	S	S	*	*			trans	-110.8	134.9	135.9	-82.6	168.1	0	0	0	109.3
42	K	34.4	Very low	41.8	Very low	171 Å²	171	135.3 Å²	135.3	74%	0.743	64%	0.637	S	S	*	*			trans	-96.7	82	179.4	-87.1	-172.9	170.5	-175.7	0	110.5
43	Q	37.6	Very low	44.8	Very low	180 Å²	180	130.7 Å²	130.7	84%	0.841	61%	0.614	S	S	*	*			trans	-177.6	142	152.1	-102.4	150.9	7.5	0	0	108.7
44	L	34.3	Very low	47.7	Very low	162 Å²	162	131.4 Å²	131.4	85%	0.848	61%	0.607	S	S	*	*			trans	89.8	129.9	-171.2	-54.7	168.6	0	0	0	114.9
45	R	35.9	Very low	50.5	Low	239 Å²	239	127.7 Å²	127.7	90%	0.902	58%	0.583	S	S	*	*	S	Bend	trans	-88.5	-9.4	-160.1	-74.9	-171.5	-179.2	-178.6	1.8	116.3
46	Y	37.8	Very low	53.4	Low	213 Å²	213	127.1 Å²	127.1	84%	0.835	58%	0.579	S	S	*	*			trans	-145.7	74.9	-173.6	-69.5	-82.1	0	0	0	112.4
47	F	45.2	Very low	56.3	Low	188 Å²	188	123.2 Å²	123.2	83%	0.825	57%	0.567	S	S	*	*			trans	-134.5	132.8	164.9	-102.9	-88.5	0	0	0	111.5
48	T	46.7	Very low	59.5	Low	109 Å²	109	120.1 Å²	120.1	67%	0.669	56%	0.556	S	S	*	*			trans	-68.5	155.4	172.6	30.3	0	0	0	0	111.3	V50	T48-V50 PolarHBondContact O-N 2.86Å
49	R	56.9	Low	61.7	Low	159 Å²	159	117.5 Å²	117.5	60%	0.6	54%	0.543	S	S	*	.			trans	-90	101.6	-169.2	-71.1	-174.1	-170.1	169.7	6.1	111.1	E37 I38	E37-R49 CarbonylContact C-O 3.5Å; E37-R49 WeakPolarHBondContact CA-O 3.32Å; I38-R49 HydrophobicContact CB-CB 4.24Å; I38-R49 VanDerWaalsContact CG2-CA 3.44Å; I38-R49 HydrophobicContact CG2-CB 3.72Å; I38-R49 HydrophobicContact CG2-CG 3.9Å; I38-R49 PolarHBondContact N-O 3.06Å; I38-R49 VanDerWaalsContact O-CB 3.3Å; I38-R49 WeakPolarHBondContact O-CB 3.37Å; I38-R49 WeakPolarHBondContact O-CD 3.07Å
50	V	66.2	Low	64.7	Low	72 Å²	72	115.1 Å²	115.1	44%	0.436	53%	0.53	S	S	.	.			trans	-129.6	101.9	-179.1	179.1	0	0	0	0	113.8	F36 I38 T48	F36-V50 HydrophobicContact CB-CB 4.19Å; F36-V50 HydrophobicContact CB-CG1 3.36Å; F36-V50 HydrophobicContact CD1-CG1 3.8Å; F36-V50 HydrophobicContact CD2-CG1 4.37Å; F36-V50 HydrophobicContact CG-CG1 3.65Å; I38-V50 VanDerWaalsContact CB-C 3.43Å; I38-V50 VanDerWaalsContact N-N 3.17Å; T48-V50 PolarHBondContact O-N 2.86Å
51	Y	67.8	Low	67.7	Low	117 Å²	117	108.7 Å²	108.7	46%	0.459	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-88.2	144.9	171.7	-71.6	-59.8	0	0	0	108.6	F36 E37 I38 L39	F36-Y51 WeakPolarHBondContact CA-O 3.43Å; F36-Y51 VanDerWaalsContact CB-O 3.31Å; F36-Y51 WeakPolarHBondContact CB-O 3.23Å; F36-Y51 VanDerWaalsContact CD1-O 3.25Å; F36-Y51 WeakPolarHBondContact CD1-O 3.33Å; E37-Y51 VanDerWaalsContact O-CA 3.27Å; E37-Y51 WeakPolarHBondContact O-CA 3.3Å; E37-Y51 WeakPolarHBondContact O-CB 3.19Å; E37-Y51 WeakPolarHBondContact O-CD2 3.31Å; E37-Y51 PolarHBondContact O-N 2.8Å; I38-Y51 HydrophobicContact CB-CD1 4.08Å; I38-Y51 HydrophobicContact CB-CE1 4.36Å; I38-Y51 HydrophobicContact CB-CG 4.15Å; I38-Y51 HydrophobicContact CD1-CD1 4.21Å; I38-Y51 HydrophobicContact CG1-CD1 3.13Å; I38-Y51 HydrophobicContact CG1-CD2 4.46Å; I38-Y51 HydrophobicContact CG1-CE1 3.48Å; I38-Y51 VanDerWaalsContact CG1-CE1 3.48Å; I38-Y51 HydrophobicContact CG1-CG 3.64Å; L39-Y51 WeakPolarHBondContact CA-OH 3.35Å; L39-Y51 HydrophobicContact CB-CE2 4.32Å; L39-Y51 WeakPolarHBondContact CB-OH 3.43Å; L39-Y51 PolarHBondContact N-OH 3.16Å; L39-Y51 VanDerWaalsContact N-OH 3.1Å; L39-Y51 PolarHBondContact O-OH 3.37Å
52	P	83.8	Confident	70.6	Confident	65 Å²	65	102.3 Å²	102.3	42%	0.422	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-64	149.8	167	31.6	-37.7	0	0	0	112.1	F56 A57	P52-F56 HydrophobicContact CB-CB 4.39Å; P52-F56 HydrophobicContact CB-CD1 3.77Å; P52-A57 HydrophobicContact CB-CB 4.09Å; P52-A57 HydrophobicContact CG-CB 3.93Å
53	T	89.9	Confident	73.5	Confident	45 Å²	45	94.6 Å²	94.6	28%	0.276	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-68.4	162.7	164.6	59.2	0	0	0	0	110.7	H35 D55 F56 A57	H35-T53 WeakPolarHBondContact O-CG2 3.21Å; T53-D55 VanDerWaalsContact C-N 3.27Å; T53-D55 PolarHBondContact O-N 2.84Å; T53-F56 PolarHBondContact O-N 2.92Å; T53-F56 PolarHBondContact OG1-N 2.85Å; T53-A57 WeakPolarHBondContact O-CB 3.34Å; T53-A57 PolarHBondContact O-N 2.89Å
54	Y	90.3	Very high	76.3	Confident	115 Å²	115	92 Å²	92	45%	0.451	44%	0.437	S	S	.	.	H	α-helix	trans	-49.8	-48.5	171.9	176	-94.6	0	0	0	112	F56 A57 C58 Y76	Y54-F56 VanDerWaalsContact C-N 3.27Å; Y54-F56 PolarHBondContact O-N 2.86Å; Y54-A57 PolarHBondContact O-N 3.25Å; Y54-C58 VanDerWaalsContact CD2-SG 3.59Å; Y54-C58 WeakPolarHBondContact CE2-SG 3.31Å; Y54-C58 WeakPolarHBondContact O-CB 3.46Å; Y54-C58 PolarHBondContact O-N 3.16Å; Y54-Y76 HydrophobicContact CE1-CD1 4.03Å; Y54-Y76 AromaticContact CE1-CE1 3.88Å; Y54-Y76 HydrophobicContact CE1-CE1 3.88Å
55	D	92.5	Very high	79.2	Confident	31 Å²	31	91.1 Å²	91.1	17%	0.166	43%	0.429	C	S	.	.	H	α-helix	trans	-66.4	-26.7	-175.7	-49.2	-65.6	0	0	0	113.4	T53 P59 R79 I86	T53-D55 VanDerWaalsContact C-N 3.27Å; T53-D55 PolarHBondContact O-N 2.84Å; D55-P59 WeakPolarHBondContact O-CD 3.29Å; D55-P59 VanDerWaalsContact O-CG 3.28Å; D55-P59 WeakPolarHBondContact O-CG 3.49Å; D55-R79 WeakPolarHBondContact OD1-CD 3.49Å; D55-R79 IonicContact OD1-CZ 3.67Å; D55-R79 IonicContact OD1-NE 3.82Å; D55-R79 IonicContact OD1-NH1 2.74Å; D55-R79 PolarHBondContact OD1-NH1 2.82Å; D55-R79 IonicContact OD2-NH1 2.91Å; D55-R79 PolarHBondContact OD2-NH1 3.48Å; D55-I86 VanDerWaalsContact O-CD1 3.22Å; D55-I86 WeakPolarHBondContact O-CD1 3.47Å
56	F	91.7	Very high	82.1	Confident	87 Å²	87	81.8 Å²	81.8	38%	0.382	41%	0.407	S	S	.	.	H	α-helix	trans	-87	-38	174.7	-171.2	-96.9	0	0	0	112.7	P52 T53 Y54 I60 I86	P52-F56 HydrophobicContact CB-CB 4.39Å; P52-F56 HydrophobicContact CB-CD1 3.77Å; T53-F56 PolarHBondContact O-N 2.92Å; T53-F56 PolarHBondContact OG1-N 2.85Å; Y54-F56 VanDerWaalsContact C-N 3.27Å; Y54-F56 PolarHBondContact O-N 2.86Å; F56-I60 HydrophobicContact CD1-CD1 3.9Å; F56-I60 HydrophobicContact CE1-CD1 3.49Å; F56-I60 VanDerWaalsContact CE1-CD1 3.49Å; F56-I60 HydrophobicContact CE2-CD1 4.21Å; F56-I60 HydrophobicContact CG-CD1 4.43Å; F56-I60 HydrophobicContact CZ-CD1 3.67Å; F56-I60 VanDerWaalsContact O-CD1 3.3Å; F56-I60 WeakPolarHBondContact O-CD1 3.49Å; F56-I60 WeakPolarHBondContact O-CG1 3.44Å; F56-I86 HydrophobicContact CD2-CD1 4.43Å; F56-I86 HydrophobicContact CD2-CG2 4.36Å; F56-I86 HydrophobicContact CE2-CG2 4.47Å
57	A	93.8	Very high	84.9	Confident	27 Å²	27	73.6 Å²	73.6	22%	0.223	38%	0.379	C	S	.	.	H	α-helix	trans	-71.2	-49.5	-177.7	0	0	0	0	0	112.7	P52 T53 Y54 I60 V61	P52-A57 HydrophobicContact CB-CB 4.09Å; P52-A57 HydrophobicContact CG-CB 3.93Å; T53-A57 WeakPolarHBondContact O-CB 3.34Å; T53-A57 PolarHBondContact O-N 2.89Å; Y54-A57 PolarHBondContact O-N 3.25Å; A57-I60 PolarHBondContact O-N 3.11Å; A57-V61 WeakPolarHBondContact O-CG2 3.49Å; A57-V61 PolarHBondContact O-N 3.37Å
58	C	94.2	Very high	87.4	Confident	33 Å²	33	68.8 Å²	68.8	22%	0.223	37%	0.365	C	S	.	.	H	α-helix	trans	-58.9	-47.8	-170.2	-73.8	0	0	0	0	114.9	Y54 I60 V61 D62	Y54-C58 VanDerWaalsContact CD2-SG 3.59Å; Y54-C58 WeakPolarHBondContact CE2-SG 3.31Å; Y54-C58 WeakPolarHBondContact O-CB 3.46Å; Y54-C58 PolarHBondContact O-N 3.16Å; C58-I60 VanDerWaalsContact C-N 3.3Å; C58-I60 PolarHBondContact O-N 3.39Å; C58-V61 PolarHBondContact O-N 2.91Å; C58-D62 WeakPolarHBondContact O-CB 3.24Å; C58-D62 VanDerWaalsContact O-CG 3.24Å; C58-D62 PolarHBondContact O-N 3.16Å
59	P	95.1	Very high	89.8	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-42.7	179.3	-10.2	19	0	0	0	111.9	D55 S63 Y83 I86 L87	D55-P59 WeakPolarHBondContact O-CD 3.29Å; D55-P59 VanDerWaalsContact O-CG 3.28Å; D55-P59 WeakPolarHBondContact O-CG 3.49Å; P59-S63 VanDerWaalsContact O-CB 3.31Å; P59-S63 WeakPolarHBondContact O-CB 3.35Å; P59-S63 PolarHBondContact O-N 2.61Å; P59-Y83 VanDerWaalsContact CA-CE2 3.48Å; P59-Y83 HydrophobicContact CB-CD1 4.19Å; P59-Y83 HydrophobicContact CB-CD2 3.75Å; P59-Y83 HydrophobicContact CB-CE1 4.28Å; P59-Y83 HydrophobicContact CB-CE2 3.84Å; P59-Y83 HydrophobicContact CB-CG 3.93Å; P59-Y83 HydrophobicContact CG-CD2 3.49Å; P59-Y83 VanDerWaalsContact CG-CD2 3.49Å; P59-Y83 HydrophobicContact CG-CE2 3.98Å; P59-Y83 HydrophobicContact CG-CG 3.83Å; P59-I86 HydrophobicContact CB-CG2 4.34Å; P59-I86 HydrophobicContact CG-CB 4.36Å; P59-I86 HydrophobicContact CG-CD1 4.37Å; P59-I86 HydrophobicContact CG-CG2 4.25Å; P59-L87 HydrophobicContact CB-CD1 4.08Å; P59-L87 HydrophobicContact CB-CD2 3.98Å; P59-L87 HydrophobicContact CB-CG 3.71Å; P59-L87 WeakPolarHBondContact O-CD2 3.39Å
60	I	95.2	Very high	91.6	Very high	36 Å²	36	60.8 Å²	60.8	19%	0.185	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-47.7	-178.8	-60	175.2	0	0	0	110.4	F56 A57 C58 S63 I64 I86 L90 L92	F56-I60 HydrophobicContact CD1-CD1 3.9Å; F56-I60 HydrophobicContact CE1-CD1 3.49Å; F56-I60 VanDerWaalsContact CE1-CD1 3.49Å; F56-I60 HydrophobicContact CE2-CD1 4.21Å; F56-I60 HydrophobicContact CG-CD1 4.43Å; F56-I60 HydrophobicContact CZ-CD1 3.67Å; F56-I60 VanDerWaalsContact O-CD1 3.3Å; F56-I60 WeakPolarHBondContact O-CD1 3.49Å; F56-I60 WeakPolarHBondContact O-CG1 3.44Å; A57-I60 PolarHBondContact O-N 3.11Å; C58-I60 VanDerWaalsContact C-N 3.3Å; C58-I60 PolarHBondContact O-N 3.39Å; I60-S63 PolarHBondContact O-N 3.49Å; I60-I64 HydrophobicContact CG2-CD1 3.65Å; I60-I64 HydrophobicContact CG2-CG1 4.5Å; I60-I64 WeakPolarHBondContact O-CB 2.96Å; I60-I64 VanDerWaalsContact O-CG1 3.27Å; I60-I64 WeakPolarHBondContact O-CG1 3.26Å; I60-I64 PolarHBondContact O-N 3.15Å; I60-I86 HydrophobicContact CG1-CG2 4.26Å; I60-L90 HydrophobicContact CD1-CD1 3.52Å; I60-L90 HydrophobicContact CG1-CD1 3.69Å; I60-L92 HydrophobicContact CB-CD1 4.45Å; I60-L92 HydrophobicContact CG1-CD1 4.2Å; I60-L92 HydrophobicContact CG2-CD1 4.29Å
61	V	96.5	Very high	92.9	Very high	63 Å²	63	63 Å²	63	38%	0.382	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-50.7	179.2	173.8	0	0	0	0	111	A57 C58 S63 I64 E65	A57-V61 WeakPolarHBondContact O-CG2 3.49Å; A57-V61 PolarHBondContact O-N 3.37Å; C58-V61 PolarHBondContact O-N 2.91Å; V61-S63 PolarHBondContact O-N 3.22Å; V61-I64 PolarHBondContact O-N 2.92Å; V61-E65 HydrophobicContact CG1-CG 4.08Å; V61-E65 WeakPolarHBondContact O-CB 3.42Å; V61-E65 WeakPolarHBondContact O-CG 3.3Å; V61-E65 PolarHBondContact O-N 3.35Å
62	D	96.6	Very high	94.1	Very high	35 Å²	35	58.7 Å²	58.7	19%	0.187	32%	0.32	C	S	.	.	H	α-helix	trans	-57.4	-38.4	178.6	-70.9	-28	0	0	0	111.7	C58 V67 Y83 R93 P95	C58-D62 WeakPolarHBondContact O-CB 3.24Å; C58-D62 VanDerWaalsContact O-CG 3.24Å; C58-D62 PolarHBondContact O-N 3.16Å; D62-V67 HydrophobicContact CB-CB 4.04Å; D62-V67 HydrophobicContact CB-CG1 4.49Å; D62-V67 HydrophobicContact CB-CG2 4.23Å; D62-V67 VanDerWaalsContact O-CB 3.29Å; D62-V67 WeakPolarHBondContact O-CB 3.46Å; D62-V67 PolarHBondContact O-N 2.92Å; D62-Y83 VanDerWaalsContact CB-OH 3.22Å; D62-Y83 WeakPolarHBondContact CB-OH 3.41Å; D62-Y83 WeakPolarHBondContact OD2-CE2 3.34Å; D62-Y83 PolarHBondContact OD2-OH 2.72Å; D62-R93 PolarHBondContact O-NH2 3.24Å; D62-P95 HydrophobicContact CB-CG 3.92Å
63	S	96	Very high	94.6	Very high	10 Å²	10	55.9 Å²	55.9	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-51.4	177.3	-165.9	0	0	0	0	112	P59 I60 V61 G66 R93	P59-S63 VanDerWaalsContact O-CB 3.31Å; P59-S63 WeakPolarHBondContact O-CB 3.35Å; P59-S63 PolarHBondContact O-N 2.61Å; I60-S63 PolarHBondContact O-N 3.49Å; V61-S63 PolarHBondContact O-N 3.22Å; S63-G66 PolarHBondContact O-N 3.14Å; S63-R93 WeakPolarHBondContact CB-O 3.28Å; S63-R93 PolarHBondContact O-NE 3.17Å; S63-R93 PolarHBondContact O-NH2 2.89Å; S63-R93 PolarHBondContact OG-N 3.37Å; S63-R93 PolarHBondContact OG-O 3.43Å
64	I	95.3	Very high	94.7	Very high	124 Å²	124	55.5 Å²	55.5	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-67.9	-41.8	-176.4	-68.8	172.1	0	0	0	111.9	I60 V61 G66	I60-I64 HydrophobicContact CG2-CD1 3.65Å; I60-I64 HydrophobicContact CG2-CG1 4.5Å; I60-I64 WeakPolarHBondContact O-CB 2.96Å; I60-I64 VanDerWaalsContact O-CG1 3.27Å; I60-I64 WeakPolarHBondContact O-CG1 3.26Å; I60-I64 PolarHBondContact O-N 3.15Å; V61-I64 PolarHBondContact O-N 2.92Å; I64-G66 PolarHBondContact O-N 3.42Å
65	E	97	Very high	94.7	Very high	145 Å²	145	55.3 Å²	55.3	68%	0.678	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	0.2	179.9	-67.1	-170.9	173	0	0	113.5	V61 V67	V61-E65 HydrophobicContact CG1-CG 4.08Å; V61-E65 WeakPolarHBondContact O-CB 3.42Å; V61-E65 WeakPolarHBondContact O-CG 3.3Å; V61-E65 PolarHBondContact O-N 3.35Å; E65-V67 VanDerWaalsContact C-N 3.33Å; E65-V67 HydrophobicContact CB-CG2 4.41Å; E65-V67 PolarHBondContact O-N 2.99Å
66	G	95.9	Very high	94.7	Very high	42 Å²	42	57.7 Å²	57.7	43%	0.433	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	13.8	177.3	0	0	0	0	0	114.4	S63 I64 T68 R93	S63-G66 PolarHBondContact O-N 3.14Å; I64-G66 PolarHBondContact O-N 3.42Å; G66-T68 PolarHBondContact O-N 3.1Å; G66-T68 VanDerWaalsContact O-N 3.16Å; G66-R93 VanDerWaalsContact CA-NH2 3.28Å
67	V	97.1	Very high	94.7	Very high	41 Å²	41	58 Å²	58	25%	0.248	31%	0.312	C	S	.	.			trans	-55.3	121	177.3	179.7	0	0	0	0	109.6	D62 E65 A70 R93 P95	D62-V67 HydrophobicContact CB-CB 4.04Å; D62-V67 HydrophobicContact CB-CG1 4.49Å; D62-V67 HydrophobicContact CB-CG2 4.23Å; D62-V67 VanDerWaalsContact O-CB 3.29Å; D62-V67 WeakPolarHBondContact O-CB 3.46Å; D62-V67 PolarHBondContact O-N 2.92Å; E65-V67 VanDerWaalsContact C-N 3.33Å; E65-V67 HydrophobicContact CB-CG2 4.41Å; E65-V67 PolarHBondContact O-N 2.99Å; V67-A70 HydrophobicContact CG1-CB 4.43Å; V67-R93 VanDerWaalsContact O-CZ 3.29Å; V67-R93 PolarHBondContact O-NH1 2.85Å; V67-R93 PolarHBondContact O-NH2 3.36Å; V67-P95 WeakPolarHBondContact O-CB 3.31Å
68	T	96.9	Very high	94.6	Very high	87 Å²	87	63.9 Å²	63.9	53%	0.534	34%	0.34	S	S	.	.	S	Bend	trans	-87.6	-38.9	178.9	57.8	0	0	0	0	111.8	G66 Y96	G66-T68 PolarHBondContact O-N 3.1Å; G66-T68 VanDerWaalsContact O-N 3.16Å; T68-Y96 PolarHBondContact O-N 3.46Å
69	H	96.6	Very high	94.6	Very high	91 Å²	91	67.2 Å²	67.2	42%	0.421	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	104.4	-176.6	-62.9	69.8	0	0	0	109.8	L71 Y96 Y98	H69-L71 HydrophobicContact CB-CD2 4.23Å; H69-L71 PolarHBondContact O-N 2.95Å; H69-Y96 CarbonylContact C-O 3.56Å; H69-Y96 VanDerWaalsContact CA-O 3.28Å; H69-Y96 WeakPolarHBondContact CA-O 3.44Å; H69-Y98 AromaticContact CD2-CD2 3.65Å; H69-Y98 AromaticContact CD2-CE2 3.4Å; H69-Y98 WeakPolarHBondContact CD2-CE2 3.37Å
70	A	95.3	Very high	94.5	Very high	10 Å²	10	68.6 Å²	68.6	8%	0.083	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	104.6	176.4	0	0	0	0	0	109.6	V67 Y96 I97 Y98	V67-A70 HydrophobicContact CG1-CB 4.43Å; A70-Y96 PolarHBondContact N-O 2.79Å; A70-I97 HydrophobicContact CB-CG1 4.35Å; A70-Y98 PolarHBondContact O-N 2.92Å
71	L	94.3	Very high	94.5	Very high	119 Å²	119	73.2 Å²	73.2	62%	0.623	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.4	-176.1	-54.5	-172	0	0	0	111.2	H69 Y98 Y100	H69-L71 HydrophobicContact CB-CD2 4.23Å; H69-L71 PolarHBondContact O-N 2.95Å; L71-Y98 WeakPolarHBondContact CA-O 3.19Å; L71-Y100 HydrophobicContact CB-CE1 3.99Å
72	R	93.1	Very high	94.4	Very high	25 Å²	25	74.4 Å²	74.4	9%	0.094	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	166.1	-176.2	70.4	-169.2	-159.4	143.7	13.1	114.3	Y76 D80 I97 Y98 E99 Y100	R72-Y76 VanDerWaalsContact NH2-C 3.25Å; R72-Y76 PolarHBondContact NH2-O 2.92Å; R72-D80 IonicContact CZ-OD1 2.68Å; R72-D80 IonicContact NE-OD1 3.79Å; R72-D80 PolarHBondContact NE-OD1 3.01Å; R72-D80 VanDerWaalsContact NH2-CG 3.34Å; R72-D80 IonicContact NH2-OD1 2.61Å; R72-D80 PolarHBondContact NH2-OD1 2.94Å; R72-I97 HydrophobicContact CG-CG2 3.96Å; R72-Y98 PolarHBondContact N-O 3.47Å; R72-E99 VanDerWaalsContact O-CA 3.29Å; R72-E99 WeakPolarHBondContact O-CA 3.1Å; R72-Y100 VanDerWaalsContact O-CD1 3.25Å; R72-Y100 WeakPolarHBondContact O-CD1 3.41Å; R72-Y100 WeakPolarHBondContact O-CE1 3.39Å; R72-Y100 PolarHBondContact O-N 2.67Å
73	T	92.7	Very high	94.4	Very high	7 Å²	7	73.4 Å²	73.4	4%	0.043	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	148.8	175.3	56.6	0	0	0	0	111.6	M1 E75 Y76 Y100 R102	M1-T73 HydrophobicContact SD-CG2 4.21Å; T73-E75 PolarHBondContact O-N 3.19Å; T73-E75 PolarHBondContact OG1-OE2 2.82Å; T73-Y76 PolarHBondContact O-N 2.82Å; T73-Y76 VanDerWaalsContact O-N 3.17Å; T73-Y76 WeakPolarHBondContact OG1-CD2 3.34Å; T73-Y76 WeakPolarHBondContact OG1-CE2 3.4Å; T73-Y100 CarbonylContact C-O 3.58Å; T73-Y100 VanDerWaalsContact CA-O 3.23Å; T73-Y100 WeakPolarHBondContact CA-O 3.45Å; T73-Y100 HydrophobicContact CG2-CD2 4.33Å; T73-Y100 HydrophobicContact CG2-CE2 3.79Å; T73-R102 HydrophobicContact CG2-CB 4.33Å
74	T	92.9	Very high	94.4	Very high	37 Å²	37	76.2 Å²	76.2	23%	0.227	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-58.9	-12.1	176.3	48.7	0	0	0	0	114.5	Y76 H77 E99 Y100 K159	T74-Y76 PolarHBondContact O-N 2.83Å; T74-H77 WeakPolarHBondContact O-CB 3.32Å; T74-H77 PolarHBondContact O-N 2.91Å; T74-E99 HydrophobicContact CG2-CB 3.87Å; T74-Y100 PolarHBondContact N-O 2.83Å; T74-K159 HydrophobicContact CG2-CB 4.18Å; T74-K159 HydrophobicContact CG2-CD 4.35Å; T74-K159 HydrophobicContact CG2-CG 4.18Å
75	E	89.6	Confident	94.5	Very high	110 Å²	110	72.4 Å²	72.4	51%	0.514	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-65.2	-16.2	174.5	-63.9	170.6	127	0	0	113.5	T73 R102	T73-E75 PolarHBondContact O-N 3.19Å; T73-E75 PolarHBondContact OG1-OE2 2.82Å; E75-R102 WeakPolarHBondContact OE1-CD 3.44Å; E75-R102 IonicContact OE1-CZ 3.4Å; E75-R102 IonicContact OE1-NE 3.21Å; E75-R102 IonicContact OE1-NH1 3.28Å; E75-R102 PolarHBondContact OE1-NH1 3.18Å; E75-R102 IonicContact OE2-NH1 3.79Å
76	Y	92	Very high	94.4	Very high	81 Å²	81	66.5 Å²	66.5	32%	0.318	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-99.6	-2	179.2	-64.8	-85.7	0	0	0	113.7	Y54 R72 T73 T74 D78 R79	Y54-Y76 HydrophobicContact CE1-CD1 4.03Å; Y54-Y76 AromaticContact CE1-CE1 3.88Å; Y54-Y76 HydrophobicContact CE1-CE1 3.88Å; R72-Y76 VanDerWaalsContact NH2-C 3.25Å; R72-Y76 PolarHBondContact NH2-O 2.92Å; T73-Y76 PolarHBondContact O-N 2.82Å; T73-Y76 VanDerWaalsContact O-N 3.17Å; T73-Y76 WeakPolarHBondContact OG1-CD2 3.34Å; T73-Y76 WeakPolarHBondContact OG1-CE2 3.4Å; T74-Y76 PolarHBondContact O-N 2.83Å; Y76-D78 VanDerWaalsContact C-N 3.33Å; Y76-D78 PolarHBondContact O-N 3.24Å; Y76-D78 VanDerWaalsContact O-N 3.15Å; Y76-R79 WeakPolarHBondContact O-CA 3.45Å; Y76-R79 VanDerWaalsContact O-CB 3.23Å; Y76-R79 WeakPolarHBondContact O-CB 3.19Å; Y76-R79 WeakPolarHBondContact O-CG 3.4Å; Y76-R79 PolarHBondContact O-N 3.26Å
77	H	92.1	Very high	94.3	Very high	93 Å²	93	64.5 Å²	64.5	43%	0.431	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-45.2	-51.2	-168.4	-175.1	56.2	0	0	0	114	T74 R79 D80 E99	T74-H77 WeakPolarHBondContact O-CB 3.32Å; T74-H77 PolarHBondContact O-N 2.91Å; H77-R79 PolarHBondContact O-N 3.3Å; H77-D80 IonicContact CE1-OD2 3.58Å; H77-D80 IonicContact ND1-OD2 3.27Å; H77-D80 PolarHBondContact ND1-OD2 3.46Å; H77-D80 WeakPolarHBondContact O-CB 3.43Å; H77-D80 PolarHBondContact O-N 2.79Å; H77-E99 VanDerWaalsContact CA-OE1 3.27Å; H77-E99 WeakPolarHBondContact CA-OE1 3.14Å; H77-E99 VanDerWaalsContact CB-OE1 3.26Å; H77-E99 WeakPolarHBondContact CB-OE1 3.19Å; H77-E99 IonicContact CE1-OE2 3.97Å; H77-E99 IonicContact CG-OE1 3.41Å; H77-E99 IonicContact ND1-OE1 2.87Å; H77-E99 PolarHBondContact ND1-OE1 3.35Å; H77-E99 IonicContact ND1-OE2 3.31Å; H77-E99 PolarHBondContact ND1-OE2 2.81Å
78	D	93.3	Very high	94.3	Very high	152 Å²	152	68.7 Å²	68.7	81%	0.813	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-57.8	-9.1	179.8	-52.1	-11.7	0	0	0	114.4	Y76	Y76-D78 VanDerWaalsContact C-N 3.33Å; Y76-D78 PolarHBondContact O-N 3.24Å; Y76-D78 VanDerWaalsContact O-N 3.15Å
79	R	92.5	Very high	94.2	Very high	102 Å²	102	67.1 Å²	67.1	39%	0.385	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-99.5	0.3	176.2	-44.9	-169.4	-176.5	-128.8	-11.6	114.2	D55 Y76 H77 E81 Q82 Y83	D55-R79 WeakPolarHBondContact OD1-CD 3.49Å; D55-R79 IonicContact OD1-CZ 3.67Å; D55-R79 IonicContact OD1-NE 3.82Å; D55-R79 IonicContact OD1-NH1 2.74Å; D55-R79 PolarHBondContact OD1-NH1 2.82Å; D55-R79 IonicContact OD2-NH1 2.91Å; D55-R79 PolarHBondContact OD2-NH1 3.48Å; Y76-R79 WeakPolarHBondContact O-CA 3.45Å; Y76-R79 VanDerWaalsContact O-CB 3.23Å; Y76-R79 WeakPolarHBondContact O-CB 3.19Å; Y76-R79 WeakPolarHBondContact O-CG 3.4Å; Y76-R79 PolarHBondContact O-N 3.26Å; H77-R79 PolarHBondContact O-N 3.3Å; R79-E81 VanDerWaalsContact C-N 3.33Å; R79-Q82 PolarHBondContact O-N 3.22Å; R79-Y83 WeakPolarHBondContact O-CB 3.23Å; R79-Y83 PolarHBondContact O-N 2.84Å
80	D	94	Very high	94.2	Very high	31 Å²	31	66.8 Å²	66.8	17%	0.166	33%	0.329	C	S	.	.	H	α-helix	trans	-57.6	-46.9	175.5	-82.7	-19.4	0	0	0	110.5	R72 H77 Q82 Y83 Y84 I97	R72-D80 IonicContact CZ-OD1 2.68Å; R72-D80 IonicContact NE-OD1 3.79Å; R72-D80 PolarHBondContact NE-OD1 3.01Å; R72-D80 VanDerWaalsContact NH2-CG 3.34Å; R72-D80 IonicContact NH2-OD1 2.61Å; R72-D80 PolarHBondContact NH2-OD1 2.94Å; H77-D80 IonicContact CE1-OD2 3.58Å; H77-D80 IonicContact ND1-OD2 3.27Å; H77-D80 PolarHBondContact ND1-OD2 3.46Å; H77-D80 WeakPolarHBondContact O-CB 3.43Å; H77-D80 PolarHBondContact O-N 2.79Å; D80-Q82 PolarHBondContact O-N 3.27Å; D80-Y83 WeakPolarHBondContact O-CB 3.41Å; D80-Y83 PolarHBondContact O-N 3.48Å; D80-Y84 HydrophobicContact CB-CE2 4.44Å; D80-Y84 WeakPolarHBondContact O-CD2 3.42Å; D80-Y84 PolarHBondContact O-N 3.4Å; D80-I97 WeakPolarHBondContact OD1-CD1 3.28Å; D80-I97 WeakPolarHBondContact OD1-CG2 3.46Å
81	E	95	Very high	94.2	Very high	132 Å²	132	73.5 Å²	73.5	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-58.2	-50.9	178.8	-173.4	177.3	-174.8	0	0	111	R79 Y83 Y84 T85	R79-E81 VanDerWaalsContact C-N 3.33Å; E81-Y83 VanDerWaalsContact C-N 3.32Å; E81-Y83 PolarHBondContact O-N 3.24Å; E81-Y84 PolarHBondContact O-N 3.25Å; E81-T85 WeakPolarHBondContact O-CB 3.31Å; E81-T85 PolarHBondContact O-N 3.17Å; E81-T85 PolarHBondContact O-OG1 3.12Å
82	Q	95.1	Very high	94.3	Very high	88 Å²	88	70.4 Å²	70.4	41%	0.411	35%	0.348	S	S	.	.	H	α-helix	trans	-56.6	-43.7	176.9	-174.3	179.4	17.2	0	0	112.3	R79 D80 T85 I86	R79-Q82 PolarHBondContact O-N 3.22Å; D80-Q82 PolarHBondContact O-N 3.27Å; Q82-T85 PolarHBondContact O-N 3.11Å; Q82-I86 HydrophobicContact CG-CD1 3.96Å; Q82-I86 WeakPolarHBondContact O-CD1 3.31Å; Q82-I86 VanDerWaalsContact O-CG1 3.31Å; Q82-I86 WeakPolarHBondContact O-CG1 3.34Å; Q82-I86 PolarHBondContact O-N 3.02Å; Q82-I86 VanDerWaalsContact O-N 3.08Å
83	Y	95.8	Very high	94.5	Very high	14 Å²	14	74.2 Å²	74.2	6%	0.055	36%	0.362	C	S	.	.	H	α-helix	trans	-60.3	-48.4	178.9	-178.3	-78.4	0	0	0	111.4	P59 D62 R79 D80 E81 L87 I97	P59-Y83 VanDerWaalsContact CA-CE2 3.48Å; P59-Y83 HydrophobicContact CB-CD1 4.19Å; P59-Y83 HydrophobicContact CB-CD2 3.75Å; P59-Y83 HydrophobicContact CB-CE1 4.28Å; P59-Y83 HydrophobicContact CB-CE2 3.84Å; P59-Y83 HydrophobicContact CB-CG 3.93Å; P59-Y83 HydrophobicContact CG-CD2 3.49Å; P59-Y83 VanDerWaalsContact CG-CD2 3.49Å; P59-Y83 HydrophobicContact CG-CE2 3.98Å; P59-Y83 HydrophobicContact CG-CG 3.83Å; D62-Y83 VanDerWaalsContact CB-OH 3.22Å; D62-Y83 WeakPolarHBondContact CB-OH 3.41Å; D62-Y83 WeakPolarHBondContact OD2-CE2 3.34Å; D62-Y83 PolarHBondContact OD2-OH 2.72Å; R79-Y83 WeakPolarHBondContact O-CB 3.23Å; R79-Y83 PolarHBondContact O-N 2.84Å; D80-Y83 WeakPolarHBondContact O-CB 3.41Å; D80-Y83 PolarHBondContact O-N 3.48Å; E81-Y83 VanDerWaalsContact C-N 3.32Å; E81-Y83 PolarHBondContact O-N 3.24Å; Y83-L87 HydrophobicContact CD1-CD1 3.57Å; Y83-L87 HydrophobicContact CE1-CD1 3.37Å; Y83-L87 WeakPolarHBondContact O-CG 3.41Å; Y83-L87 PolarHBondContact O-N 2.84Å; Y83-I97 HydrophobicContact CD1-CD1 3.61Å; Y83-I97 HydrophobicContact CD1-CG1 4.31Å; Y83-I97 HydrophobicContact CD2-CD1 4.24Å; Y83-I97 HydrophobicContact CE1-CD1 3.89Å; Y83-I97 HydrophobicContact CE1-CG1 4.09Å; Y83-I97 HydrophobicContact CE2-CD1 4.5Å; Y83-I97 HydrophobicContact CG-CD1 3.8Å
84	Y	96.8	Very high	94.7	Very high	70 Å²	70	78.2 Å²	78.2	28%	0.275	38%	0.379	S	S	.	.	H	α-helix	trans	-71.6	-33.8	178.5	-67.5	-63.9	0	0	0	113.4	D80 E81 L87 E88 K94 P95 I97	D80-Y84 HydrophobicContact CB-CE2 4.44Å; D80-Y84 WeakPolarHBondContact O-CD2 3.42Å; D80-Y84 PolarHBondContact O-N 3.4Å; E81-Y84 PolarHBondContact O-N 3.25Å; Y84-L87 HydrophobicContact CD1-CD1 4.32Å; Y84-L87 PolarHBondContact O-N 3.09Å; Y84-E88 WeakPolarHBondContact O-CB 3.3Å; Y84-E88 PolarHBondContact O-N 2.96Å; Y84-K94 HydrophobicContact CD1-CB 4.36Å; Y84-K94 HydrophobicContact CD1-CD 4.32Å; Y84-K94 HydrophobicContact CD1-CG 4.45Å; Y84-K94 HydrophobicContact CE1-CB 4.45Å; Y84-P95 WeakPolarHBondContact CE1-O 3.3Å; Y84-I97 HydrophobicContact CE2-CD1 4.05Å; Y84-I97 PolarHBondContact OH-N 3.07Å
85	T	96.1	Very high	94.9	Very high	44 Å²	44	76.5 Å²	76.5	27%	0.27	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-42	174.9	-58.3	0	0	0	0	111.6	V27 E81 Q82 E88 A89	V27-T85 HydrophobicContact CG1-CG2 4.21Å; E81-T85 WeakPolarHBondContact O-CB 3.31Å; E81-T85 PolarHBondContact O-N 3.17Å; E81-T85 PolarHBondContact O-OG1 3.12Å; Q82-T85 PolarHBondContact O-N 3.11Å; T85-E88 PolarHBondContact O-N 3.03Å; T85-A89 WeakPolarHBondContact O-CB 3.33Å; T85-A89 PolarHBondContact O-N 2.9Å
86	I	94.4	Very high	95.2	Very high	20 Å²	20	78.5 Å²	78.5	10%	0.103	37%	0.372	C	S	.	.	H	α-helix	trans	-63.9	-43.5	177.5	-70.1	163.8	0	0	0	110.9	D55 F56 P59 I60 Q82 E88 A89 L90	D55-I86 VanDerWaalsContact O-CD1 3.22Å; D55-I86 WeakPolarHBondContact O-CD1 3.47Å; F56-I86 HydrophobicContact CD2-CD1 4.43Å; F56-I86 HydrophobicContact CD2-CG2 4.36Å; F56-I86 HydrophobicContact CE2-CG2 4.47Å; P59-I86 HydrophobicContact CB-CG2 4.34Å; P59-I86 HydrophobicContact CG-CB 4.36Å; P59-I86 HydrophobicContact CG-CD1 4.37Å; P59-I86 HydrophobicContact CG-CG2 4.25Å; I60-I86 HydrophobicContact CG1-CG2 4.26Å; Q82-I86 HydrophobicContact CG-CD1 3.96Å; Q82-I86 WeakPolarHBondContact O-CD1 3.31Å; Q82-I86 VanDerWaalsContact O-CG1 3.31Å; Q82-I86 WeakPolarHBondContact O-CG1 3.34Å; Q82-I86 PolarHBondContact O-N 3.02Å; Q82-I86 VanDerWaalsContact O-N 3.08Å; I86-E88 VanDerWaalsContact C-N 3.35Å; I86-E88 PolarHBondContact O-N 3.34Å; I86-A89 PolarHBondContact O-N 3.37Å; I86-L90 HydrophobicContact CG2-CD1 3.98Å; I86-L90 WeakPolarHBondContact O-CB 3.33Å; I86-L90 WeakPolarHBondContact O-CG 3.4Å; I86-L90 PolarHBondContact O-N 2.76Å; I86-L90 VanDerWaalsContact O-N 3.13Å
87	L	95.4	Very high	95.4	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.7	-40.8	176.7	-71.5	166.1	0	0	0	112.6	P59 Y83 Y84 N91 L92 K94	P59-L87 HydrophobicContact CB-CD1 4.08Å; P59-L87 HydrophobicContact CB-CD2 3.98Å; P59-L87 HydrophobicContact CB-CG 3.71Å; P59-L87 WeakPolarHBondContact O-CD2 3.39Å; Y83-L87 HydrophobicContact CD1-CD1 3.57Å; Y83-L87 HydrophobicContact CE1-CD1 3.37Å; Y83-L87 WeakPolarHBondContact O-CG 3.41Å; Y83-L87 PolarHBondContact O-N 2.84Å; Y84-L87 HydrophobicContact CD1-CD1 4.32Å; Y84-L87 PolarHBondContact O-N 3.09Å; L87-N91 PolarHBondContact O-N 3.24Å; L87-N91 VanDerWaalsContact O-N 3.14Å; L87-L92 HydrophobicContact CD2-CB 3.76Å; L87-L92 HydrophobicContact CD2-CD1 4.26Å; L87-L92 PolarHBondContact O-N 3.11Å; L87-K94 HydrophobicContact CB-CG 4.07Å; L87-K94 HydrophobicContact CD1-CG 4.33Å
88	E	96.7	Very high	95.5	Very high	129 Å²	129	77.5 Å²	77.5	60%	0.603	37%	0.366	S	S	*	.	H	α-helix	trans	-68.4	-46.1	178	-170.5	161.1	147.8	0	0	112.2	Y84 T85 I86 L90 N91 K94	Y84-E88 WeakPolarHBondContact O-CB 3.3Å; Y84-E88 PolarHBondContact O-N 2.96Å; T85-E88 PolarHBondContact O-N 3.03Å; I86-E88 VanDerWaalsContact C-N 3.35Å; I86-E88 PolarHBondContact O-N 3.34Å; E88-L90 PolarHBondContact O-N 2.98Å; E88-N91 PolarHBondContact O-N 2.77Å; E88-K94 IonicContact OE2-NZ 2.62Å; E88-K94 PolarHBondContact OE2-NZ 2.81Å
89	A	95.1	Very high	95.5	Very high	54 Å²	54	71.2 Å²	71.2	45%	0.446	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-29.2	178.1	0	0	0	0	0	113.1	T85 I86	T85-A89 WeakPolarHBondContact O-CB 3.33Å; T85-A89 PolarHBondContact O-N 2.9Å; I86-A89 PolarHBondContact O-N 3.37Å
90	L	95.2	Very high	95.5	Very high	84 Å²	84	69.3 Å²	69.3	44%	0.44	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.4	176.9	-62.2	175.6	0	0	0	113.6	I60 I86 E88 L92	I60-L90 HydrophobicContact CD1-CD1 3.52Å; I60-L90 HydrophobicContact CG1-CD1 3.69Å; I86-L90 HydrophobicContact CG2-CD1 3.98Å; I86-L90 WeakPolarHBondContact O-CB 3.33Å; I86-L90 WeakPolarHBondContact O-CG 3.4Å; I86-L90 PolarHBondContact O-N 2.76Å; I86-L90 VanDerWaalsContact O-N 3.13Å; E88-L90 PolarHBondContact O-N 2.98Å; L90-L92 VanDerWaalsContact C-N 3.26Å; L90-L92 HydrophobicContact CB-CD1 3.84Å; L90-L92 HydrophobicContact CB-CG 3.81Å; L90-L92 HydrophobicContact CD1-CD1 4.09Å; L90-L92 PolarHBondContact O-N 3.07Å
91	N	96.5	Very high	95.4	Very high	152 Å²	152	68.5 Å²	68.5	81%	0.813	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	42.8	-175.2	-168	39.9	0	0	0	113.5	L87 E88	L87-N91 PolarHBondContact O-N 3.24Å; L87-N91 VanDerWaalsContact O-N 3.14Å; E88-N91 PolarHBondContact O-N 2.77Å
92	L	96.1	Very high	95.2	Very high	53 Å²	53	65.9 Å²	65.9	28%	0.277	31%	0.307	S	S	.	.			trans	-97.1	154.9	-179	-69.1	178.4	0	0	0	111.9	I60 L87 L90 K94	I60-L92 HydrophobicContact CB-CD1 4.45Å; I60-L92 HydrophobicContact CG1-CD1 4.2Å; I60-L92 HydrophobicContact CG2-CD1 4.29Å; L87-L92 HydrophobicContact CD2-CB 3.76Å; L87-L92 HydrophobicContact CD2-CD1 4.26Å; L87-L92 PolarHBondContact O-N 3.11Å; L90-L92 VanDerWaalsContact C-N 3.26Å; L90-L92 HydrophobicContact CB-CD1 3.84Å; L90-L92 HydrophobicContact CB-CG 3.81Å; L90-L92 HydrophobicContact CD1-CD1 4.09Å; L90-L92 PolarHBondContact O-N 3.07Å; L92-K94 PolarHBondContact O-N 2.76Å
93	R	97.1	Very high	94.9	Very high	106 Å²	106	64.4 Å²	64.4	40%	0.4	30%	0.301	S	S	.	.			trans	-57.1	138.1	172.2	-179.6	-172.9	66.2	82.4	5.2	109.3	D62 S63 G66 V67 P95	D62-R93 PolarHBondContact O-NH2 3.24Å; S63-R93 WeakPolarHBondContact CB-O 3.28Å; S63-R93 PolarHBondContact O-NE 3.17Å; S63-R93 PolarHBondContact O-NH2 2.89Å; S63-R93 PolarHBondContact OG-N 3.37Å; S63-R93 PolarHBondContact OG-O 3.43Å; G66-R93 VanDerWaalsContact CA-NH2 3.28Å; V67-R93 VanDerWaalsContact O-CZ 3.29Å; V67-R93 PolarHBondContact O-NH1 2.85Å; V67-R93 PolarHBondContact O-NH2 3.36Å; R93-P95 VanDerWaalsContact O-CD 3.32Å; R93-P95 WeakPolarHBondContact O-CD 3.46Å
94	K	96.8	Very high	94.7	Very high	91 Å²	91	65.3 Å²	65.3	40%	0.396	31%	0.307	S	S	.	.			trans	-98.2	107.6	-179.4	-63.7	179.5	177.3	-175.6	0	111.6	Y84 L87 E88 L92	Y84-K94 HydrophobicContact CD1-CB 4.36Å; Y84-K94 HydrophobicContact CD1-CD 4.32Å; Y84-K94 HydrophobicContact CD1-CG 4.45Å; Y84-K94 HydrophobicContact CE1-CB 4.45Å; L87-K94 HydrophobicContact CB-CG 4.07Å; L87-K94 HydrophobicContact CD1-CG 4.33Å; E88-K94 IonicContact OE2-NZ 2.62Å; E88-K94 PolarHBondContact OE2-NZ 2.81Å; L92-K94 PolarHBondContact O-N 2.76Å
95	P	96.8	Very high	94.5	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-63.9	153.8	168.6	-20.7	35.2	0	0	0	111.4	D62 V67 Y84 R93	D62-P95 HydrophobicContact CB-CG 3.92Å; V67-P95 WeakPolarHBondContact O-CB 3.31Å; Y84-P95 WeakPolarHBondContact CE1-O 3.3Å; R93-P95 VanDerWaalsContact O-CD 3.32Å; R93-P95 WeakPolarHBondContact O-CD 3.46Å
96	Y	97	Very high	94.4	Very high	151 Å²	151	63.2 Å²	63.2	59%	0.592	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.5	171.1	-64.4	-77	0	0	0	110.5	T68 H69 A70	T68-Y96 PolarHBondContact O-N 3.46Å; H69-Y96 CarbonylContact C-O 3.56Å; H69-Y96 VanDerWaalsContact CA-O 3.28Å; H69-Y96 WeakPolarHBondContact CA-O 3.44Å; A70-Y96 PolarHBondContact N-O 2.79Å
97	I	95.3	Very high	94.4	Very high	22 Å²	22	63.8 Å²	63.8	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130.6	171	-62.8	176	0	0	0	110.1	A70 R72 D80 Y83 Y84 E99	A70-I97 HydrophobicContact CB-CG1 4.35Å; R72-I97 HydrophobicContact CG-CG2 3.96Å; D80-I97 WeakPolarHBondContact OD1-CD1 3.28Å; D80-I97 WeakPolarHBondContact OD1-CG2 3.46Å; Y83-I97 HydrophobicContact CD1-CD1 3.61Å; Y83-I97 HydrophobicContact CD1-CG1 4.31Å; Y83-I97 HydrophobicContact CD2-CD1 4.24Å; Y83-I97 HydrophobicContact CE1-CD1 3.89Å; Y83-I97 HydrophobicContact CE1-CG1 4.09Å; Y83-I97 HydrophobicContact CE2-CD1 4.5Å; Y83-I97 HydrophobicContact CG-CD1 3.8Å; Y84-I97 HydrophobicContact CE2-CD1 4.05Å; Y84-I97 PolarHBondContact OH-N 3.07Å; I97-E99 HydrophobicContact CG2-CG 4.13Å
98	Y	94	Very high	94.4	Very high	131 Å²	131	64.6 Å²	64.6	51%	0.514	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.5	170.5	-82.5	-100	0	0	0	110.3	H69 A70 L71 R72	H69-Y98 AromaticContact CD2-CD2 3.65Å; H69-Y98 AromaticContact CD2-CE2 3.4Å; H69-Y98 WeakPolarHBondContact CD2-CE2 3.37Å; A70-Y98 PolarHBondContact O-N 2.92Å; L71-Y98 WeakPolarHBondContact CA-O 3.19Å; R72-Y98 PolarHBondContact N-O 3.47Å
99	E	93.1	Very high	94.3	Very high	20 Å²	20	58.7 Å²	58.7	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.6	-169.9	-49.7	175.8	116.1	0	0	112.6	R72 T74 H77 I97 K159	R72-E99 VanDerWaalsContact O-CA 3.29Å; R72-E99 WeakPolarHBondContact O-CA 3.1Å; T74-E99 HydrophobicContact CG2-CB 3.87Å; H77-E99 VanDerWaalsContact CA-OE1 3.27Å; H77-E99 WeakPolarHBondContact CA-OE1 3.14Å; H77-E99 VanDerWaalsContact CB-OE1 3.26Å; H77-E99 WeakPolarHBondContact CB-OE1 3.19Å; H77-E99 IonicContact CE1-OE2 3.97Å; H77-E99 IonicContact CG-OE1 3.41Å; H77-E99 IonicContact ND1-OE1 2.87Å; H77-E99 PolarHBondContact ND1-OE1 3.35Å; H77-E99 IonicContact ND1-OE2 3.31Å; H77-E99 PolarHBondContact ND1-OE2 2.81Å; I97-E99 HydrophobicContact CG2-CG 4.13Å; E99-K159 IonicContact OE2-NZ 2.65Å; E99-K159 PolarHBondContact OE2-NZ 2.67Å
100	Y	93.3	Very high	94.2	Very high	62 Å²	62	58.7 Å²	58.7	24%	0.243	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.8	173.9	56	-87.1	0	0	0	111.4	L71 R72 T73 T74 S158	L71-Y100 HydrophobicContact CB-CE1 3.99Å; R72-Y100 VanDerWaalsContact O-CD1 3.25Å; R72-Y100 WeakPolarHBondContact O-CD1 3.41Å; R72-Y100 WeakPolarHBondContact O-CE1 3.39Å; R72-Y100 PolarHBondContact O-N 2.67Å; T73-Y100 CarbonylContact C-O 3.58Å; T73-Y100 VanDerWaalsContact CA-O 3.23Å; T73-Y100 WeakPolarHBondContact CA-O 3.45Å; T73-Y100 HydrophobicContact CG2-CD2 4.33Å; T73-Y100 HydrophobicContact CG2-CE2 3.79Å; T74-Y100 PolarHBondContact N-O 2.83Å; Y100-S158 CarbonylContact C-O 3.55Å; Y100-S158 WeakPolarHBondContact CA-O 3.47Å
101	S	91.9	Very high	94	Very high	15 Å²	15	57.2 Å²	57.2	11%	0.105	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-69.4	140.2	173.3	61.4	0	0	0	0	110.9	S158 A160	S101-S158 PolarHBondContact N-O 3.5Å; S101-S158 PolarHBondContact OG-O 3.18Å; S101-A160 WeakPolarHBondContact CB-O 3.4Å; S101-A160 PolarHBondContact OG-O 2.94Å; S101-A160 VanDerWaalsContact OG-O 3.12Å
102	R	89.8	Confident	93.8	Very high	76 Å²	76	54 Å²	54	29%	0.287	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-57.6	142.4	162.8	61.5	-176.6	-72.9	140.8	9.1	111.2	T73 E75 N104	T73-R102 HydrophobicContact CG2-CB 4.33Å; E75-R102 WeakPolarHBondContact OE1-CD 3.44Å; E75-R102 IonicContact OE1-CZ 3.4Å; E75-R102 IonicContact OE1-NE 3.21Å; E75-R102 IonicContact OE1-NH1 3.28Å; E75-R102 PolarHBondContact OE1-NH1 3.18Å; E75-R102 IonicContact OE2-NH1 3.79Å; R102-N104 PolarHBondContact NE-OD1 2.8Å
103	L	89.3	Confident	93.8	Very high	57 Å²	57	60.1 Å²	60.1	30%	0.298	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-68.3	134.3	163.8	178.3	65.6	0	0	0	108.7	M110 F151 M164	L103-M110 WeakPolarHBondContact O-CE 3.02Å; L103-M110 VanDerWaalsContact O-SD 3.41Å; L103-F151 HydrophobicContact CD1-CE1 4.41Å; L103-F151 HydrophobicContact CD1-CZ 4.06Å; L103-F151 HydrophobicContact CD2-CE1 3.88Å; L103-F151 HydrophobicContact CD2-CZ 4.28Å; L103-M164 HydrophobicContact CD1-CB 4.09Å
104	N	91.2	Very high	93.7	Very high	33 Å²	33	57.2 Å²	57.2	18%	0.176	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.1	167.5	-67.7	-43.6	0	0	0	108.9	R102 V161 M164	R102-N104 PolarHBondContact NE-OD1 2.8Å; N104-V161 WeakPolarHBondContact ND2-CG1 3.34Å; N104-M164 PolarHBondContact O-N 3.41Å
105	L	92.9	Very high	93.7	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.094	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.2	-179.6	-72.1	162.4	0	0	0	110.4	T108 M110 P133 M164 W166	L105-T108 HydrophobicContact CB-CG2 3.68Å; L105-M110 HydrophobicContact CB-SD 4.44Å; L105-P133 HydrophobicContact CD1-CB 4.33Å; L105-M164 CarbonylContact C-O 3.59Å; L105-M164 WeakPolarHBondContact CA-O 3.44Å; L105-M164 HydrophobicContact CD2-CB 4.12Å; L105-M164 HydrophobicContact CD2-CG 4.41Å; L105-W166 HydrophobicContact CB-CZ2 4.37Å; L105-W166 HydrophobicContact CD1-CH2 3.81Å; L105-W166 HydrophobicContact CD1-CZ2 3.82Å; L105-W166 HydrophobicContact CD1-CZ3 4.25Å
106	M	94.2	Very high	93.7	Very high	53 Å²	53	55.6 Å²	55.6	26%	0.261	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	160.5	172.7	-64.7	-177.6	176.7	0	0	111.3	T108 M163 M164 D165 W166 A316	M106-T108 PolarHBondContact O-N 2.79Å; M106-M163 HydrophobicContact CE-CB 4.23Å; M106-M163 HydrophobicContact CE-CG 4.05Å; M106-M163 HydrophobicContact CE-SD 4.43Å; M106-M163 HydrophobicContact CG-CG 3.59Å; M106-M163 HydrophobicContact CG-SD 3.84Å; M106-M164 PolarHBondContact N-O 3.1Å; M106-D165 HydrophobicContact SD-CB 4.33Å; M106-W166 VanDerWaalsContact O-CD1 3.24Å; M106-W166 PolarHBondContact O-NE1 3.26Å; M106-A316 CarbonylContact C-O 3.54Å; M106-A316 VanDerWaalsContact CA-O 3.26Å; M106-A316 WeakPolarHBondContact CA-O 3.28Å; M106-A316 HydrophobicContact CB-CB 4.44Å
107	N	95.5	Very high	93.8	Very high	31 Å²	31	50.7 Å²	50.7	17%	0.166	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	29.1	171	-66	92	0	0	0	114.8	N311 I313 S314 A316	N107-N311 HydrophobicContact CB-CB 3.7Å; N107-N311 VanDerWaalsContact CB-CG 3.5Å; N107-N311 WeakPolarHBondContact CB-ND2 3.32Å; N107-I313 WeakPolarHBondContact CB-O 3.4Å; N107-I313 PolarHBondContact ND2-O 3.36Å; N107-S314 PolarHBondContact ND2-O 3.16Å; N107-S314 VanDerWaalsContact ND2-O 3.11Å; N107-A316 PolarHBondContact N-O 2.84Å; N107-A316 WeakPolarHBondContact OD1-CA 3.25Å
108	T	95.4	Very high	93.9	Very high	17 Å²	17	49.7 Å²	49.7	10%	0.104	23%	0.228	C	C	.	.	S	Bend	trans	-153.5	175	179	-161.6	0	0	0	0	112	L105 M106 M110 P133 W166	L105-T108 HydrophobicContact CB-CG2 3.68Å; M106-T108 PolarHBondContact O-N 2.79Å; T108-M110 HydrophobicContact CG2-CG 4.4Å; T108-P133 HydrophobicContact CG2-CB 4.33Å; T108-P133 HydrophobicContact CG2-CG 4.22Å; T108-P133 WeakPolarHBondContact OG1-CD 3.43Å; T108-W166 HydrophobicContact CG2-CZ2 4.03Å
109	V	94.5	Very high	94	Very high	6 Å²	6	45 Å²	45	4%	0.036	21%	0.213	C	C	.	.			trans	-120	135.9	173.2	-69.6	0	0	0	0	109.9	K114 L115 L118 P133 I313 L318 F324	V109-K114 HydrophobicContact CB-CB 3.85Å; V109-K114 HydrophobicContact CB-CD 4.03Å; V109-K114 HydrophobicContact CG1-CB 4.24Å; V109-K114 HydrophobicContact CG1-CD 3.72Å; V109-K114 HydrophobicContact CG2-CB 3.83Å; V109-L115 HydrophobicContact CG2-CD2 4.09Å; V109-L115 HydrophobicContact CG2-CG 4.38Å; V109-L115 WeakPolarHBondContact O-CD2 3.24Å; V109-L118 HydrophobicContact CG2-CD1 3.72Å; V109-P133 WeakPolarHBondContact O-CG 3.28Å; V109-I313 HydrophobicContact CG1-CD1 4.13Å; V109-I313 HydrophobicContact CG1-CG1 4.11Å; V109-L318 HydrophobicContact CG1-CD1 4.01Å; V109-F324 HydrophobicContact CG1-CB 3.96Å; V109-F324 HydrophobicContact CG1-CD2 4.03Å; V109-F324 HydrophobicContact CG1-CG 4.19Å
110	M	92	Very high	94.2	Very high	54 Å²	54	49.1 Å²	49.1	27%	0.266	24%	0.24	S	C	.	.			trans	-113.5	-1	-176.1	-72.5	-171.6	62.8	0	0	114.9	L103 L105 T108 P133	L103-M110 WeakPolarHBondContact O-CE 3.02Å; L103-M110 VanDerWaalsContact O-SD 3.41Å; L105-M110 HydrophobicContact CB-SD 4.44Å; T108-M110 HydrophobicContact CG2-CG 4.4Å; M110-P133 HydrophobicContact CG-CG 4.42Å
111	S	91.9	Very high	94.3	Very high	52 Å²	52	51.9 Å²	51.9	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-87.3	134.8	176.2	62.6	0	0	0	0	111	R113 K114 L115	S111-R113 PolarHBondContact O-N 3Å; S111-R113 VanDerWaalsContact O-N 3.16Å; S111-K114 PolarHBondContact O-N 2.96Å; S111-K114 VanDerWaalsContact OG-CG 3.31Å; S111-K114 WeakPolarHBondContact OG-CG 3.4Å; S111-L115 PolarHBondContact O-N 2.82Å
112	K	92.6	Very high	94.5	Very high	86 Å²	86	54 Å²	54	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-48.9	-45.3	-179.7	-168.8	175.1	-176	175.8	0	111.5	S6 K114 L115 T116 W127	S6-K112 PolarHBondContact O-NZ 2.83Å; K112-K114 PolarHBondContact O-N 3.35Å; K112-L115 PolarHBondContact O-N 2.76Å; K112-T116 WeakPolarHBondContact O-CB 3.4Å; K112-T116 PolarHBondContact O-N 2.77Å; K112-T116 PolarHBondContact O-OG1 3.11Å; K112-W127 HydrophobicContact CG-CH2 4.35Å
113	R	94.9	Very high	94.8	Very high	181 Å²	181	50.9 Å²	50.9	68%	0.683	27%	0.269	S	S	*	.	H	α-helix	trans	-55.9	-43.7	176.8	-171.7	178.6	72.8	82.7	-8.3	114	S111 W117	S111-R113 PolarHBondContact O-N 3Å; S111-R113 VanDerWaalsContact O-N 3.16Å; R113-W117 PolarHBondContact O-N 2.83Å
114	K	95.8	Very high	95.1	Very high	44 Å²	44	48.3 Å²	48.3	19%	0.191	26%	0.256	C	S	.	.	H	α-helix	trans	-73.8	-39.3	180	-67.6	-172.9	174.2	-168.5	0	111.1	V109 S111 K112 W117 L118 F324	V109-K114 HydrophobicContact CB-CB 3.85Å; V109-K114 HydrophobicContact CB-CD 4.03Å; V109-K114 HydrophobicContact CG1-CB 4.24Å; V109-K114 HydrophobicContact CG1-CD 3.72Å; V109-K114 HydrophobicContact CG2-CB 3.83Å; S111-K114 PolarHBondContact O-N 2.96Å; S111-K114 VanDerWaalsContact OG-CG 3.31Å; S111-K114 WeakPolarHBondContact OG-CG 3.4Å; K112-K114 PolarHBondContact O-N 3.35Å; K114-W117 PolarHBondContact O-N 2.86Å; K114-L118 PolarHBondContact O-N 2.77Å; K114-F324 HydrophobicContact CB-CD1 4.37Å; K114-F324 HydrophobicContact CB-CD2 4.24Å; K114-F324 HydrophobicContact CB-CE1 4.17Å; K114-F324 HydrophobicContact CB-CE2 3.98Å; K114-F324 HydrophobicContact CB-CG 4.43Å; K114-F324 HydrophobicContact CB-CZ 3.96Å; K114-F324 HydrophobicContact CD-CB 4.07Å; K114-F324 HydrophobicContact CD-CD1 3.58Å; K114-F324 HydrophobicContact CD-CD2 4.28Å; K114-F324 HydrophobicContact CD-CE1 4.13Å; K114-F324 HydrophobicContact CD-CG 3.7Å; K114-F324 HydrophobicContact CG-CD1 3.68Å; K114-F324 HydrophobicContact CG-CD2 4.38Å; K114-F324 HydrophobicContact CG-CE1 3.66Å; K114-F324 HydrophobicContact CG-CE2 4.32Å; K114-F324 HydrophobicContact CG-CG 4.08Å; K114-F324 HydrophobicContact CG-CZ 3.99Å
115	L	96.8	Very high	95.3	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-44.3	175.4	-70.2	168.6	0	0	0	112.5	V109 S111 K112 W117 L118 V119 W127 L132 P133	V109-L115 HydrophobicContact CG2-CD2 4.09Å; V109-L115 HydrophobicContact CG2-CG 4.38Å; V109-L115 WeakPolarHBondContact O-CD2 3.24Å; S111-L115 PolarHBondContact O-N 2.82Å; K112-L115 PolarHBondContact O-N 2.76Å; L115-W117 VanDerWaalsContact C-N 3.3Å; L115-W117 PolarHBondContact O-N 3.06Å; L115-L118 PolarHBondContact O-N 3.09Å; L115-V119 PolarHBondContact O-N 2.98Å; L115-W127 HydrophobicContact CB-CH2 3.97Å; L115-W127 HydrophobicContact CB-CZ3 3.72Å; L115-W127 HydrophobicContact CD1-CZ3 4.43Å; L115-L132 HydrophobicContact CD2-CD2 3.81Å; L115-P133 HydrophobicContact CD2-CG 4.11Å
116	T	97.1	Very high	95.4	Very high	53 Å²	53	53.1 Å²	53.1	33%	0.325	28%	0.278	S	S	.	.	H	α-helix	trans	-57.4	-44.2	174	-59.6	0	0	0	0	111.1	K112 L118 V119 T120 W127	K112-T116 WeakPolarHBondContact O-CB 3.4Å; K112-T116 PolarHBondContact O-N 2.77Å; K112-T116 PolarHBondContact O-OG1 3.11Å; T116-L118 PolarHBondContact O-N 2.9Å; T116-V119 PolarHBondContact O-N 3.05Å; T116-T120 WeakPolarHBondContact O-CB 3.46Å; T116-T120 PolarHBondContact O-N 2.96Å; T116-T120 PolarHBondContact O-OG1 3.14Å; T116-T120 VanDerWaalsContact O-OG1 3.06Å; T116-W127 WeakPolarHBondContact OG1-CH2 3.45Å; T116-W127 WeakPolarHBondContact OG1-CZ2 3.33Å
117	W	97.6	Very high	95.5	Very high	48 Å²	48	55.5 Å²	55.5	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-44.2	177.8	-175.2	81.5	0	0	0	112.3	R113 K114 L115 V119 T120 E121 V123 F324 K325 V328	R113-W117 PolarHBondContact O-N 2.83Å; K114-W117 PolarHBondContact O-N 2.86Å; L115-W117 VanDerWaalsContact C-N 3.3Å; L115-W117 PolarHBondContact O-N 3.06Å; W117-V119 VanDerWaalsContact C-N 3.27Å; W117-V119 PolarHBondContact O-N 3.4Å; W117-T120 PolarHBondContact O-N 2.84Å; W117-E121 HydrophobicContact CD2-CG 3.8Å; W117-E121 HydrophobicContact CE3-CG 4.35Å; W117-E121 HydrophobicContact CG-CG 4.14Å; W117-E121 HydrophobicContact CH2-CG 4.25Å; W117-E121 HydrophobicContact CZ2-CB 4.49Å; W117-E121 HydrophobicContact CZ2-CG 3.66Å; W117-E121 PolarHBondContact NE1-OE1 2.76Å; W117-E121 VanDerWaalsContact O-CG 3.27Å; W117-E121 WeakPolarHBondContact O-CG 3.4Å; W117-E121 PolarHBondContact O-N 3.42Å; W117-V123 HydrophobicContact CZ3-CG2 4.29Å; W117-F324 HydrophobicContact CB-CZ 3.99Å; W117-F324 HydrophobicContact CD2-CE2 4.19Å; W117-F324 AromaticContact CD2-CZ 3.71Å; W117-F324 HydrophobicContact CD2-CZ 3.71Å; W117-F324 AromaticContact CE3-CE2 3.46Å; W117-F324 HydrophobicContact CE3-CE2 3.46Å; W117-F324 VanDerWaalsContact CE3-CE2 3.46Å; W117-F324 AromaticContact CE3-CZ 3.48Å; W117-F324 HydrophobicContact CE3-CZ 3.48Å; W117-F324 VanDerWaalsContact CE3-CZ 3.48Å; W117-F324 AromaticContact CG-CZ 3.96Å; W117-F324 HydrophobicContact CG-CZ 3.96Å; W117-F324 HydrophobicContact CZ3-CE2 4.03Å; W117-F324 HydrophobicContact CZ3-CZ 4.28Å; W117-K325 HydrophobicContact CD2-CG 4.41Å; W117-K325 HydrophobicContact CE3-CG 4.34Å; W117-K325 HydrophobicContact CH2-CB 4.14Å; W117-K325 HydrophobicContact CH2-CD 4.03Å; W117-K325 HydrophobicContact CH2-CG 3.71Å; W117-K325 HydrophobicContact CZ2-CD 3.57Å; W117-K325 HydrophobicContact CZ2-CG 3.76Å; W117-K325 HydrophobicContact CZ3-CG 4.01Å; W117-V328 HydrophobicContact CZ3-CG2 4.07Å
118	L	97.5	Very high	95.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-40.8	175.9	-69	175.6	0	0	0	112.4	V109 K114 L115 T116 V123 V124 L132 V312 F324 V328	V109-L118 HydrophobicContact CG2-CD1 3.72Å; K114-L118 PolarHBondContact O-N 2.77Å; L115-L118 PolarHBondContact O-N 3.09Å; T116-L118 PolarHBondContact O-N 2.9Å; L118-V123 HydrophobicContact CD2-CB 4.13Å; L118-V123 HydrophobicContact CD2-CG1 4.04Å; L118-V123 HydrophobicContact CD2-CG2 4.23Å; L118-V123 WeakPolarHBondContact O-CB 3.49Å; L118-V123 PolarHBondContact O-N 2.86Å; L118-V124 HydrophobicContact CB-CG2 3.91Å; L118-V124 PolarHBondContact O-N 2.97Å; L118-L132 HydrophobicContact CD1-CD2 4.01Å; L118-V312 HydrophobicContact CD1-CG1 4.15Å; L118-V312 HydrophobicContact CD1-CG2 4.19Å; L118-V312 HydrophobicContact CD2-CG2 4.21Å; L118-F324 HydrophobicContact CD2-CE2 4.29Å; L118-F324 HydrophobicContact CG-CE2 4.34Å; L118-V328 HydrophobicContact CD2-CG1 4.47Å; L118-V328 HydrophobicContact CD2-CG2 4.01Å
119	V	96.9	Very high	95.7	Very high	33 Å²	33	53.9 Å²	53.9	20%	0.2	28%	0.276	C	S	.	.	H	α-helix	trans	-72.6	-45.3	177.9	176.4	0	0	0	0	111.4	L115 T116 W117 E121 G122 V124 W127 L132	L115-V119 PolarHBondContact O-N 2.98Å; T116-V119 PolarHBondContact O-N 3.05Å; W117-V119 VanDerWaalsContact C-N 3.27Å; W117-V119 PolarHBondContact O-N 3.4Å; V119-E121 PolarHBondContact O-N 3.2Å; V119-G122 PolarHBondContact O-N 2.82Å; V119-V124 HydrophobicContact CB-CG2 4.35Å; V119-V124 HydrophobicContact CG2-CG2 3.69Å; V119-W127 HydrophobicContact CG2-CD2 4.39Å; V119-L132 HydrophobicContact CG2-CD1 4.15Å
120	T	96.9	Very high	95.8	Very high	107 Å²	107	53.9 Å²	53.9	66%	0.656	28%	0.276	S	S	*	.	H	α-helix	trans	-66.7	-34	-176.5	-62.3	0	0	0	0	113	T116 W117 G122	T116-T120 WeakPolarHBondContact O-CB 3.46Å; T116-T120 PolarHBondContact O-N 2.96Å; T116-T120 PolarHBondContact O-OG1 3.14Å; T116-T120 VanDerWaalsContact O-OG1 3.06Å; W117-T120 PolarHBondContact O-N 2.84Å; T120-G122 VanDerWaalsContact C-N 3.3Å
121	E	96.2	Very high	96	Very high	119 Å²	119	52.8 Å²	52.8	56%	0.556	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	2.6	177.1	-53.6	-77.5	168	0	0	113	W117 V119 V123	W117-E121 HydrophobicContact CD2-CG 3.8Å; W117-E121 HydrophobicContact CE3-CG 4.35Å; W117-E121 HydrophobicContact CG-CG 4.14Å; W117-E121 HydrophobicContact CH2-CG 4.25Å; W117-E121 HydrophobicContact CZ2-CB 4.49Å; W117-E121 HydrophobicContact CZ2-CG 3.66Å; W117-E121 PolarHBondContact NE1-OE1 2.76Å; W117-E121 VanDerWaalsContact O-CG 3.27Å; W117-E121 WeakPolarHBondContact O-CG 3.4Å; W117-E121 PolarHBondContact O-N 3.42Å; V119-E121 PolarHBondContact O-N 3.2Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 HydrophobicContact CB-CG2 4.3Å; E121-V123 PolarHBondContact O-N 2.65Å
122	G	95.2	Very high	96.3	Very high	59 Å²	59	50.3 Å²	50.3	61%	0.608	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	18.9	177.9	0	0	0	0	0	115.5	V119 T120 V124	V119-G122 PolarHBondContact O-N 2.82Å; T120-G122 VanDerWaalsContact C-N 3.3Å; G122-V124 PolarHBondContact O-N 2.62Å
123	V	95.7	Very high	96.4	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.067	24%	0.239	C	C	.	.	S	Bend	trans	-64.1	-35.2	172.7	-175.9	0	0	0	0	110.8	W117 L118 E121 R131 V312 V328 Y330	W117-V123 HydrophobicContact CZ3-CG2 4.29Å; L118-V123 HydrophobicContact CD2-CB 4.13Å; L118-V123 HydrophobicContact CD2-CG1 4.04Å; L118-V123 HydrophobicContact CD2-CG2 4.23Å; L118-V123 WeakPolarHBondContact O-CB 3.49Å; L118-V123 PolarHBondContact O-N 2.86Å; E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 HydrophobicContact CB-CG2 4.3Å; E121-V123 PolarHBondContact O-N 2.65Å; V123-R131 PolarHBondContact O-NH1 3.12Å; V123-R131 PolarHBondContact O-NH2 2.69Å; V123-V312 HydrophobicContact CG1-CG2 3.97Å; V123-V328 HydrophobicContact CG1-CG1 3.48Å; V123-V328 VanDerWaalsContact CG1-CG1 3.48Å; V123-V328 HydrophobicContact CG2-CG1 4.2Å; V123-Y330 HydrophobicContact CG1-CD1 4.49Å; V123-Y330 HydrophobicContact CG2-CD1 4.36Å; V123-Y330 HydrophobicContact CG2-CE1 3.86Å
124	V	96.4	Very high	96.4	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.024	21%	0.213	C	C	.	.	S	Bend	trans	-125.6	152.8	177.1	-66.2	0	0	0	0	109.7	L118 V119 G122 D129 L132 V312	L118-V124 HydrophobicContact CB-CG2 3.91Å; L118-V124 PolarHBondContact O-N 2.97Å; V119-V124 HydrophobicContact CB-CG2 4.35Å; V119-V124 HydrophobicContact CG2-CG2 3.69Å; G122-V124 PolarHBondContact O-N 2.62Å; V124-D129 WeakPolarHBondContact CA-OD2 3.34Å; V124-D129 HydrophobicContact CB-CB 3.78Å; V124-D129 WeakPolarHBondContact CB-OD2 3.3Å; V124-D129 HydrophobicContact CG1-CB 4.34Å; V124-L132 HydrophobicContact CB-CG 4.48Å; V124-L132 HydrophobicContact CG1-CD2 4.03Å; V124-L132 HydrophobicContact CG1-CG 4.33Å; V124-L132 HydrophobicContact CG2-CD1 4.05Å; V124-L132 HydrophobicContact CG2-CD2 4.15Å; V124-L132 HydrophobicContact CG2-CG 4.28Å; V124-V312 HydrophobicContact CG1-CG2 4.02Å
125	E	94.5	Very high	96.4	Very high	86 Å²	86	39.5 Å²	39.5	40%	0.402	22%	0.217	S	C	.	.	S	Bend	trans	-70.3	-45.4	-170.4	72.4	-158.3	147.4	0	0	112.7	D129 P130 R140 R333	E125-D129 HydrophobicContact CG-CB 3.98Å; E125-D129 PolarHBondContact N-OD2 3.28Å; E125-P130 VanDerWaalsContact OE1-CD 3.27Å; E125-P130 WeakPolarHBondContact OE1-CD 3.45Å; E125-R140 VanDerWaalsContact CD-NH1 3.27Å; E125-R140 IonicContact OE1-CZ 2.61Å; E125-R140 VanDerWaalsContact OE1-CZ 3.28Å; E125-R140 IonicContact OE1-NH1 3.17Å; E125-R140 PolarHBondContact OE1-NH1 2.84Å; E125-R140 IonicContact OE1-NH2 2.79Å; E125-R140 PolarHBondContact OE1-NH2 2.79Å; E125-R140 IonicContact OE2-NH1 3.78Å; E125-R140 IonicContact OE2-NH2 2.72Å; E125-R140 PolarHBondContact OE2-NH2 2.61Å; E125-R333 IonicContact OE2-NH1 3.6Å
126	D	96.5	Very high	96.3	Very high	65 Å²	65	47.8 Å²	47.8	35%	0.348	25%	0.248	S	C	.	.	S	Bend	trans	-163.1	-168.3	174.6	74.3	-2.9	0	0	0	111.7	S128 D129 L132	D126-S128 PolarHBondContact O-N 2.84Å; D126-S128 WeakPolarHBondContact OD1-CA 3.44Å; D126-S128 VanDerWaalsContact OD1-CB 3.26Å; D126-S128 WeakPolarHBondContact OD1-CB 3.15Å; D126-S128 PolarHBondContact OD1-N 2.83Å; D126-S128 PolarHBondContact OD1-OG 2.93Å; D126-S128 PolarHBondContact OD2-OG 2.82Å; D126-D129 WeakPolarHBondContact O-CB 3.43Å; D126-D129 PolarHBondContact O-N 3.35Å; D126-D129 VanDerWaalsContact O-N 3.12Å; D126-D129 PolarHBondContact OD1-N 2.91Å; D126-L132 WeakPolarHBondContact O-CD1 3.29Å
127	W	96.6	Very high	96.3	Very high	103 Å²	103	45.2 Å²	45.2	39%	0.39	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10	175.9	-69.9	93.9	0	0	0	114.9	K112 L115 T116 V119 T134	K112-W127 HydrophobicContact CG-CH2 4.35Å; L115-W127 HydrophobicContact CB-CH2 3.97Å; L115-W127 HydrophobicContact CB-CZ3 3.72Å; L115-W127 HydrophobicContact CD1-CZ3 4.43Å; T116-W127 WeakPolarHBondContact OG1-CH2 3.45Å; T116-W127 WeakPolarHBondContact OG1-CZ2 3.33Å; V119-W127 HydrophobicContact CG2-CD2 4.39Å; W127-T134 HydrophobicContact CE3-CG2 4.04Å; W127-T134 PolarHBondContact O-OG1 2.89Å
128	S	97.1	Very high	96.2	Very high	14 Å²	14	43.4 Å²	43.4	10%	0.098	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.9	173	82.8	0	0	0	0	113.3	D126 G137 R140	D126-S128 PolarHBondContact O-N 2.84Å; D126-S128 WeakPolarHBondContact OD1-CA 3.44Å; D126-S128 VanDerWaalsContact OD1-CB 3.26Å; D126-S128 WeakPolarHBondContact OD1-CB 3.15Å; D126-S128 PolarHBondContact OD1-N 2.83Å; D126-S128 PolarHBondContact OD1-OG 2.93Å; D126-S128 PolarHBondContact OD2-OG 2.82Å; S128-G137 WeakPolarHBondContact O-CA 3.45Å; S128-R140 WeakPolarHBondContact O-CD 3.1Å; S128-R140 PolarHBondContact OG-NH1 2.86Å
129	D	97.8	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.			trans	-53.9	128.4	178.7	-171.6	-64.5	0	0	0	110.4	V124 E125 D126 R131 L132 G137	V124-D129 WeakPolarHBondContact CA-OD2 3.34Å; V124-D129 HydrophobicContact CB-CB 3.78Å; V124-D129 WeakPolarHBondContact CB-OD2 3.3Å; V124-D129 HydrophobicContact CG1-CB 4.34Å; E125-D129 HydrophobicContact CG-CB 3.98Å; E125-D129 PolarHBondContact N-OD2 3.28Å; D126-D129 WeakPolarHBondContact O-CB 3.43Å; D126-D129 PolarHBondContact O-N 3.35Å; D126-D129 VanDerWaalsContact O-N 3.12Å; D126-D129 PolarHBondContact OD1-N 2.91Å; D129-R131 PolarHBondContact O-N 2.92Å; D129-R131 VanDerWaalsContact OD1-CB 3.28Å; D129-R131 WeakPolarHBondContact OD1-CB 3.39Å; D129-R131 WeakPolarHBondContact OD1-CG 3.46Å; D129-R131 IonicContact OD1-CZ 3.82Å; D129-R131 PolarHBondContact OD1-N 3.36Å; D129-R131 IonicContact OD1-NE 2.84Å; D129-R131 PolarHBondContact OD1-NE 2.86Å; D129-R131 IonicContact OD1-NH2 3.7Å; D129-R131 IonicContact OD2-CZ 3.45Å; D129-R131 IonicContact OD2-NE 3.74Å; D129-R131 PolarHBondContact OD2-NE 3.04Å; D129-R131 IonicContact OD2-NH2 3.23Å; D129-R131 PolarHBondContact OD2-NH2 3.29Å; D129-L132 HydrophobicContact CB-CD1 4.35Å; D129-L132 HydrophobicContact CB-CG 4.15Å; D129-L132 PolarHBondContact O-N 3.42Å; D129-G137 VanDerWaalsContact O-CA 3.26Å; D129-G137 WeakPolarHBondContact O-CA 3.48Å
130	P	96.8	Very high	96.1	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.039	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.9	-176.3	-25.4	32.8	0	0	0	115.1	E125 R140 R141 F309 F383	E125-P130 VanDerWaalsContact OE1-CD 3.27Å; E125-P130 WeakPolarHBondContact OE1-CD 3.45Å; P130-R140 HydrophobicContact CG-CG 4.35Å; P130-R141 HydrophobicContact CB-CB 3.86Å; P130-R141 HydrophobicContact CB-CG 4.19Å; P130-R141 WeakPolarHBondContact O-CD 3.26Å; P130-F309 HydrophobicContact CB-CD1 4.44Å; P130-F309 HydrophobicContact CB-CE1 4.14Å; P130-F309 HydrophobicContact CB-CE2 4.49Å; P130-F309 HydrophobicContact CB-CZ 4.17Å; P130-F309 HydrophobicContact CG-CE1 3.93Å; P130-F309 HydrophobicContact CG-CE2 4.44Å; P130-F309 HydrophobicContact CG-CZ 3.79Å; P130-F383 HydrophobicContact CB-CD2 4.38Å; P130-F383 HydrophobicContact CG-CD2 3.48Å; P130-F383 VanDerWaalsContact CG-CD2 3.48Å; P130-F383 HydrophobicContact CG-CE2 3.41Å; P130-F383 VanDerWaalsContact CG-CE2 3.41Å; P130-F383 HydrophobicContact CG-CZ 4.44Å
131	R	96	Very high	96	Very high	31 Å²	31	42.7 Å²	42.7	12%	0.117	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.2	178.1	-61.9	167.5	-74.4	177.8	-2	113.7	V123 D129 F309 V312 S332	V123-R131 PolarHBondContact O-NH1 3.12Å; V123-R131 PolarHBondContact O-NH2 2.69Å; D129-R131 PolarHBondContact O-N 2.92Å; D129-R131 VanDerWaalsContact OD1-CB 3.28Å; D129-R131 WeakPolarHBondContact OD1-CB 3.39Å; D129-R131 WeakPolarHBondContact OD1-CG 3.46Å; D129-R131 IonicContact OD1-CZ 3.82Å; D129-R131 PolarHBondContact OD1-N 3.36Å; D129-R131 IonicContact OD1-NE 2.84Å; D129-R131 PolarHBondContact OD1-NE 2.86Å; D129-R131 IonicContact OD1-NH2 3.7Å; D129-R131 IonicContact OD2-CZ 3.45Å; D129-R131 IonicContact OD2-NE 3.74Å; D129-R131 PolarHBondContact OD2-NE 3.04Å; D129-R131 IonicContact OD2-NH2 3.23Å; D129-R131 PolarHBondContact OD2-NH2 3.29Å; R131-F309 HydrophobicContact CG-CB 3.91Å; R131-F309 HydrophobicContact CG-CD1 3.7Å; R131-F309 HydrophobicContact CG-CG 4.25Å; R131-V312 HydrophobicContact CB-CB 4.29Å; R131-S332 WeakPolarHBondContact CD-OG 2.97Å; R131-S332 PolarHBondContact NH1-OG 2.84Å
132	L	96.5	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-88.7	145.1	-177.6	-66.2	-174	0	0	0	113	L115 L118 V119 V124 D126 D129 T134	L115-L132 HydrophobicContact CD2-CD2 3.81Å; L118-L132 HydrophobicContact CD1-CD2 4.01Å; V119-L132 HydrophobicContact CG2-CD1 4.15Å; V124-L132 HydrophobicContact CB-CG 4.48Å; V124-L132 HydrophobicContact CG1-CD2 4.03Å; V124-L132 HydrophobicContact CG1-CG 4.33Å; V124-L132 HydrophobicContact CG2-CD1 4.05Å; V124-L132 HydrophobicContact CG2-CD2 4.15Å; V124-L132 HydrophobicContact CG2-CG 4.28Å; D126-L132 WeakPolarHBondContact O-CD1 3.29Å; D129-L132 HydrophobicContact CB-CD1 4.35Å; D129-L132 HydrophobicContact CB-CG 4.15Å; D129-L132 PolarHBondContact O-N 3.42Å; L132-T134 HydrophobicContact CB-CG2 4.16Å; L132-T134 HydrophobicContact CD1-CG2 4.48Å; L132-T134 PolarHBondContact O-N 2.92Å
133	P	95.6	Very high	95.8	Very high	14 Å²	14	34.5 Å²	34.5	9%	0.091	16%	0.159	C	C	.	.	S	Bend	trans	-78.3	27.8	176.6	35.2	-36.9	0	0	0	113.5	L105 T108 V109 M110 L115 W166	L105-P133 HydrophobicContact CD1-CB 4.33Å; T108-P133 HydrophobicContact CG2-CB 4.33Å; T108-P133 HydrophobicContact CG2-CG 4.22Å; T108-P133 WeakPolarHBondContact OG1-CD 3.43Å; V109-P133 WeakPolarHBondContact O-CG 3.28Å; M110-P133 HydrophobicContact CG-CG 4.42Å; L115-P133 HydrophobicContact CD2-CG 4.11Å; P133-W166 HydrophobicContact CB-CH2 3.96Å; P133-W166 HydrophobicContact CB-CZ2 4.06Å
134	T	95.5	Very high	95.6	Very high	24 Å²	24	35.3 Å²	35.3	15%	0.147	16%	0.164	C	C	.	.	S	Bend	trans	-83.3	160.1	173.7	67.2	0	0	0	0	110	W127 L132 R136 G137 V138	W127-T134 HydrophobicContact CE3-CG2 4.04Å; W127-T134 PolarHBondContact O-OG1 2.89Å; L132-T134 HydrophobicContact CB-CG2 4.16Å; L132-T134 HydrophobicContact CD1-CG2 4.48Å; L132-T134 PolarHBondContact O-N 2.92Å; T134-R136 PolarHBondContact O-N 2.86Å; T134-G137 PolarHBondContact O-N 3.46Å; T134-G137 PolarHBondContact OG1-N 2.85Å; T134-V138 WeakPolarHBondContact O-CG2 3.36Å; T134-V138 PolarHBondContact O-N 2.83Å
135	V	94.4	Very high	95.4	Very high	47 Å²	47	39.3 Å²	39.3	29%	0.285	19%	0.187	S	C	.	.	H	α-helix	trans	-54.4	-47.2	172.6	-166.6	0	0	0	0	110	L2 V138 L139	L2-V135 HydrophobicContact CB-CG2 3.41Å; L2-V135 VanDerWaalsContact CB-CG2 3.41Å; L2-V135 HydrophobicContact CD1-CG2 3.93Å; L2-V135 HydrophobicContact CD2-CG2 4.33Å; L2-V135 HydrophobicContact CG-CG2 4.07Å; V135-V138 WeakPolarHBondContact O-CG2 3.46Å; V135-L139 HydrophobicContact CG1-CD1 3.79Å; V135-L139 HydrophobicContact CG1-CG 4.18Å; V135-L139 WeakPolarHBondContact O-CB 3.22Å; V135-L139 VanDerWaalsContact O-CG 3.23Å; V135-L139 WeakPolarHBondContact O-CG 3.38Å; V135-L139 PolarHBondContact O-N 3.47Å
136	R	96.1	Very high	95.1	Very high	179 Å²	179	38.4 Å²	38.4	68%	0.675	18%	0.183	S	C	*	.	H	α-helix	trans	-67.7	-41.2	-173.7	-60.7	-177.2	72.7	174.1	-0.6	111.2	T134 R140	T134-R136 PolarHBondContact O-N 2.86Å; R136-R140 WeakPolarHBondContact O-CB 3.27Å; R136-R140 PolarHBondContact O-N 3.33Å
137	G	96.7	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-57.8	173.5	0	0	0	0	0	112	S128 D129 T134 L139 R140 R141	S128-G137 WeakPolarHBondContact O-CA 3.45Å; D129-G137 VanDerWaalsContact O-CA 3.26Å; D129-G137 WeakPolarHBondContact O-CA 3.48Å; T134-G137 PolarHBondContact O-N 3.46Å; T134-G137 PolarHBondContact OG1-N 2.85Å; G137-L139 VanDerWaalsContact C-N 3.34Å; G137-L139 PolarHBondContact O-N 2.94Å; G137-R140 PolarHBondContact O-N 3.41Å; G137-R141 WeakPolarHBondContact O-CB 3.42Å; G137-R141 PolarHBondContact O-N 2.92Å
138	V	95.1	Very high	94.4	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-36.6	-177.4	-55.5	0	0	0	0	112.7	T134 V135 R141 G142 M143 W166	T134-V138 WeakPolarHBondContact O-CG2 3.36Å; T134-V138 PolarHBondContact O-N 2.83Å; V135-V138 WeakPolarHBondContact O-CG2 3.46Å; V138-R141 WeakPolarHBondContact O-CB 3.24Å; V138-R141 PolarHBondContact O-N 3.36Å; V138-G142 PolarHBondContact O-N 3.42Å; V138-M143 HydrophobicContact CB-CB 4.11Å; V138-M143 HydrophobicContact CG2-CB 4.23Å; V138-M143 HydrophobicContact CG2-CG 4.39Å; V138-M143 WeakPolarHBondContact O-CB 3.24Å; V138-M143 PolarHBondContact O-N 2.97Å; V138-W166 HydrophobicContact CG1-CH2 4.05Å; V138-W166 HydrophobicContact CG1-CZ3 3.9Å
139	L	95.1	Very high	94.1	Very high	59 Å²	59	36.5 Å²	36.5	31%	0.309	17%	0.174	S	C	.	.	H	α-helix	trans	-66.9	-42.5	175	-68.2	-177.9	0	0	0	111.7	V135 G137 R141 G142 M143 V145	V135-L139 HydrophobicContact CG1-CD1 3.79Å; V135-L139 HydrophobicContact CG1-CG 4.18Å; V135-L139 WeakPolarHBondContact O-CB 3.22Å; V135-L139 VanDerWaalsContact O-CG 3.23Å; V135-L139 WeakPolarHBondContact O-CG 3.38Å; V135-L139 PolarHBondContact O-N 3.47Å; G137-L139 VanDerWaalsContact C-N 3.34Å; G137-L139 PolarHBondContact O-N 2.94Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 2.99Å; L139-G142 WeakPolarHBondContact O-CA 3.32Å; L139-G142 PolarHBondContact O-N 3.3Å; L139-M143 HydrophobicContact CD2-CB 4.48Å; L139-M143 WeakPolarHBondContact CD2-O 3.35Å; L139-V145 HydrophobicContact CD2-CG2 4.27Å
140	R	96.8	Very high	93.7	Very high	53 Å²	53	38.4 Å²	38.4	20%	0.2	18%	0.183	C	C	.	.	H	α-helix	trans	-68.4	-25.5	175.7	-170.2	172.2	171.3	-134.8	-16.6	112.8	E125 S128 P130 R136 G137 G142 I362 D364 F383	E125-R140 VanDerWaalsContact CD-NH1 3.27Å; E125-R140 IonicContact OE1-CZ 2.61Å; E125-R140 VanDerWaalsContact OE1-CZ 3.28Å; E125-R140 IonicContact OE1-NH1 3.17Å; E125-R140 PolarHBondContact OE1-NH1 2.84Å; E125-R140 IonicContact OE1-NH2 2.79Å; E125-R140 PolarHBondContact OE1-NH2 2.79Å; E125-R140 IonicContact OE2-NH1 3.78Å; E125-R140 IonicContact OE2-NH2 2.72Å; E125-R140 PolarHBondContact OE2-NH2 2.61Å; S128-R140 WeakPolarHBondContact O-CD 3.1Å; S128-R140 PolarHBondContact OG-NH1 2.86Å; P130-R140 HydrophobicContact CG-CG 4.35Å; R136-R140 WeakPolarHBondContact O-CB 3.27Å; R136-R140 PolarHBondContact O-N 3.33Å; G137-R140 PolarHBondContact O-N 3.41Å; R140-G142 PolarHBondContact O-N 2.82Å; R140-I362 WeakPolarHBondContact O-CG2 3.2Å; R140-D364 IonicContact CZ-OD1 3.4Å; R140-D364 IonicContact CZ-OD2 3.46Å; R140-D364 IonicContact NE-OD1 2.54Å; R140-D364 PolarHBondContact NE-OD1 3.4Å; R140-D364 IonicContact NE-OD2 3.63Å; R140-D364 PolarHBondContact NE-OD2 2.76Å; R140-D364 IonicContact NH2-OD1 2.5Å; R140-D364 IonicContact NH2-OD2 2.67Å; R140-D364 PolarHBondContact NH2-OD2 3.02Å; R140-F383 HydrophobicContact CG-CD2 4.45Å; R140-F383 HydrophobicContact CG-CE2 4.26Å
141	R	95.4	Very high	93.2	Very high	14 Å²	14	38.4 Å²	38.4	5%	0.053	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.1	167.1	-165.6	72.5	-178	120.1	-5.1	113.2	P130 G137 V138 L139 W170 F309 D384	P130-R141 HydrophobicContact CB-CB 3.86Å; P130-R141 HydrophobicContact CB-CG 4.19Å; P130-R141 WeakPolarHBondContact O-CD 3.26Å; G137-R141 WeakPolarHBondContact O-CB 3.42Å; G137-R141 PolarHBondContact O-N 2.92Å; V138-R141 WeakPolarHBondContact O-CB 3.24Å; V138-R141 PolarHBondContact O-N 3.36Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 2.99Å; R141-W170 HydrophobicContact CB-CH2 3.83Å; R141-W170 HydrophobicContact CB-CZ2 4.22Å; R141-W170 HydrophobicContact CG-CH2 3.54Å; R141-W170 HydrophobicContact CG-CZ2 3.58Å; R141-F309 PolarHBondContact NH2-O 3.24Å; R141-D384 IonicContact CZ-OD1 3.41Å; R141-D384 IonicContact CZ-OD2 3.4Å; R141-D384 VanDerWaalsContact NH1-CG 3.33Å; R141-D384 PolarHBondContact NH1-O 3.04Å; R141-D384 IonicContact NH1-OD1 3.46Å; R141-D384 PolarHBondContact NH1-OD1 3.21Å; R141-D384 IonicContact NH1-OD2 3.85Å; R141-D384 IonicContact NH2-OD1 3.19Å; R141-D384 PolarHBondContact NH2-OD1 2.96Å; R141-D384 IonicContact NH2-OD2 2.67Å; R141-D384 PolarHBondContact NH2-OD2 3.07Å
142	G	94.4	Very high	92.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	16.7	179	0	0	0	0	0	115.2	V138 L139 R140 T144 N173	V138-G142 PolarHBondContact O-N 3.42Å; L139-G142 WeakPolarHBondContact O-CA 3.32Å; L139-G142 PolarHBondContact O-N 3.3Å; R140-G142 PolarHBondContact O-N 2.82Å; G142-T144 PolarHBondContact O-N 2.83Å; G142-N173 PolarHBondContact O-ND2 3.48Å
143	M	93.2	Very high	92.5	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.03	23%	0.232	C	C	.	.			trans	-64.1	129.1	162.4	179.8	54.5	57.1	0	0	109	V138 L139 L148 L169 W170 N173	V138-M143 HydrophobicContact CB-CB 4.11Å; V138-M143 HydrophobicContact CG2-CB 4.23Å; V138-M143 HydrophobicContact CG2-CG 4.39Å; V138-M143 WeakPolarHBondContact O-CB 3.24Å; V138-M143 PolarHBondContact O-N 2.97Å; L139-M143 HydrophobicContact CD2-CB 4.48Å; L139-M143 WeakPolarHBondContact CD2-O 3.35Å; M143-L148 HydrophobicContact CG-CB 3.94Å; M143-L148 HydrophobicContact SD-CB 4.08Å; M143-L169 HydrophobicContact CE-CD2 3.36Å; M143-L169 HydrophobicContact CE-CG 4Å; M143-W170 HydrophobicContact CB-CH2 3.98Å; M143-W170 HydrophobicContact CB-CZ3 3.98Å; M143-W170 HydrophobicContact CE-CD2 4.17Å; M143-W170 HydrophobicContact CE-CE3 3.63Å; M143-W170 HydrophobicContact CE-CH2 4.16Å; M143-W170 HydrophobicContact CE-CZ3 3.64Å; M143-N173 HydrophobicContact CE-CB 3.66Å; M143-N173 HydrophobicContact SD-CB 3.77Å
144	T	92.3	Very high	92.1	Very high	28 Å²	28	49 Å²	49	17%	0.172	25%	0.253	C	S	.	.			trans	-84.2	153.3	171.2	63.3	0	0	0	0	110.7	G142 E146 G147 L148 N173 V182 I183 I352	G142-T144 PolarHBondContact O-N 2.83Å; T144-E146 PolarHBondContact O-N 2.98Å; T144-G147 PolarHBondContact O-N 3.3Å; T144-G147 PolarHBondContact OG1-N 2.99Å; T144-L148 WeakPolarHBondContact O-CB 3.25Å; T144-L148 PolarHBondContact O-N 3.5Å; T144-N173 WeakPolarHBondContact CB-OD1 3.17Å; T144-N173 WeakPolarHBondContact CG2-OD1 3.31Å; T144-N173 PolarHBondContact N-OD1 2.82Å; T144-N173 PolarHBondContact OG1-OD1 2.97Å; T144-V182 HydrophobicContact CG2-CG1 3.66Å; T144-V182 WeakPolarHBondContact OG1-CG1 3.37Å; T144-I183 HydrophobicContact CG2-CD1 4.35Å; T144-I183 HydrophobicContact CG2-CG1 4.22Å; T144-I352 HydrophobicContact CG2-CD1 3.88Å
145	V	91	Very high	91.7	Very high	87 Å²	87	50.7 Å²	50.7	53%	0.527	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-35.5	173.7	177.5	0	0	0	0	111.2	L139 K149	L139-V145 HydrophobicContact CD2-CG2 4.27Å; V145-K149 HydrophobicContact CG1-CD 4.32Å; V145-K149 VanDerWaalsContact O-CG 3.29Å; V145-K149 WeakPolarHBondContact O-CG 3.46Å; V145-K149 PolarHBondContact O-N 3.17Å
146	E	89.3	Confident	91.2	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-74.5	-44.6	-179.3	-174.8	52.6	-150.3	0	0	112.5	T144 L148 K149 Q150	T144-E146 PolarHBondContact O-N 2.98Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3Å; E146-K149 PolarHBondContact O-N 3.41Å; E146-Q150 WeakPolarHBondContact O-CG 3.35Å; E146-Q150 PolarHBondContact O-N 3.23Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.41Å; E146-Q150 PolarHBondContact OE1-NE2 3.45Å
147	G	88.4	Confident	90.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.1	-41.3	172.2	0	0	0	0	0	112.2	T144 Q150 F151	T144-G147 PolarHBondContact O-N 3.3Å; T144-G147 PolarHBondContact OG1-N 2.99Å; G147-Q150 PolarHBondContact O-N 2.84Å; G147-F151 WeakPolarHBondContact O-CB 3.37Å; G147-F151 PolarHBondContact O-N 3.34Å
148	L	89.9	Confident	90.3	Very high	24 Å²	24	49.9 Å²	49.9	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-41.8	176.3	-176.4	60.3	0	0	0	112.8	L2 M143 T144 E146 F151 I152	L2-L148 HydrophobicContact CD1-CD1 4.41Å; L2-L148 HydrophobicContact CD1-CD2 3.83Å; M143-L148 HydrophobicContact CG-CB 3.94Å; M143-L148 HydrophobicContact SD-CB 4.08Å; T144-L148 WeakPolarHBondContact O-CB 3.25Å; T144-L148 PolarHBondContact O-N 3.5Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3Å; L148-F151 PolarHBondContact O-N 2.99Å; L148-I152 HydrophobicContact CD1-CD1 4.34Å; L148-I152 HydrophobicContact CG-CD1 4.14Å; L148-I152 VanDerWaalsContact O-CG1 3.3Å; L148-I152 WeakPolarHBondContact O-CG1 3.35Å; L148-I152 PolarHBondContact O-N 2.88Å
149	K	89.9	Confident	90	Very high	118 Å²	118	55.2 Å²	55.2	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-47.5	173.4	-78.8	171.2	178.3	177	0	111.4	V145 E146 F151 I152 V153	V145-K149 HydrophobicContact CG1-CD 4.32Å; V145-K149 VanDerWaalsContact O-CG 3.29Å; V145-K149 WeakPolarHBondContact O-CG 3.46Å; V145-K149 PolarHBondContact O-N 3.17Å; E146-K149 PolarHBondContact O-N 3.41Å; K149-F151 VanDerWaalsContact C-N 3.32Å; K149-F151 PolarHBondContact O-N 2.68Å; K149-I152 PolarHBondContact O-N 2.99Å; K149-V153 WeakPolarHBondContact O-CG2 3.02Å; K149-V153 PolarHBondContact O-N 2.91Å
150	Q	88.4	Confident	89.8	Confident	40 Å²	40	55.2 Å²	55.2	19%	0.187	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-39.9	179.3	-70.2	-178.1	24.8	0	0	111.9	E146 G147 A154 F172 A176	E146-Q150 WeakPolarHBondContact O-CG 3.35Å; E146-Q150 PolarHBondContact O-N 3.23Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.41Å; E146-Q150 PolarHBondContact OE1-NE2 3.45Å; G147-Q150 PolarHBondContact O-N 2.84Å; Q150-A154 VanDerWaalsContact O-CB 3.23Å; Q150-A154 WeakPolarHBondContact O-CB 3.38Å; Q150-A154 PolarHBondContact O-N 2.68Å; Q150-F172 HydrophobicContact CB-CD1 4.06Å; Q150-A176 VanDerWaalsContact OE1-CB 3.31Å
151	F	87.9	Confident	89.2	Confident	7 Å²	7	57 Å²	57	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-47.2	172.1	170.7	-101	0	0	0	112.4	L103 G147 L148 K149 V153 A154 Q155 M164 L169 F172	L103-F151 HydrophobicContact CD1-CE1 4.41Å; L103-F151 HydrophobicContact CD1-CZ 4.06Å; L103-F151 HydrophobicContact CD2-CE1 3.88Å; L103-F151 HydrophobicContact CD2-CZ 4.28Å; G147-F151 WeakPolarHBondContact O-CB 3.37Å; G147-F151 PolarHBondContact O-N 3.34Å; L148-F151 PolarHBondContact O-N 2.99Å; K149-F151 VanDerWaalsContact C-N 3.32Å; K149-F151 PolarHBondContact O-N 2.68Å; F151-V153 PolarHBondContact O-N 2.92Å; F151-A154 PolarHBondContact O-N 2.97Å; F151-Q155 PolarHBondContact O-N 2.78Å; F151-M164 HydrophobicContact CE2-CE 4.33Å; F151-M164 HydrophobicContact CE2-CG 4.09Å; F151-M164 HydrophobicContact CZ-CG 4.12Å; F151-L169 HydrophobicContact CD1-CD1 3.92Å; F151-L169 HydrophobicContact CD1-CG 4.47Å; F151-L169 HydrophobicContact CD2-CB 4.07Å; F151-L169 HydrophobicContact CD2-CG 4.48Å; F151-L169 HydrophobicContact CE1-CD1 3.81Å; F151-L169 HydrophobicContact CE2-CB 4.04Å; F151-L169 HydrophobicContact CE2-CD1 4.49Å; F151-L169 HydrophobicContact CG-CB 4.47Å; F151-L169 HydrophobicContact CG-CD1 4.32Å; F151-L169 HydrophobicContact CG-CG 4.39Å; F151-L169 HydrophobicContact CZ-CB 4.41Å; F151-L169 HydrophobicContact CZ-CD1 4.11Å; F151-F172 HydrophobicContact CB-CB 4.38Å; F151-F172 HydrophobicContact CB-CD2 3.94Å; F151-F172 HydrophobicContact CB-CE2 4.47Å; F151-F172 HydrophobicContact CB-CG 4.16Å; F151-F172 AromaticContact CD2-CD2 3.83Å; F151-F172 HydrophobicContact CD2-CD2 3.83Å; F151-F172 AromaticContact CD2-CE2 3.9Å; F151-F172 HydrophobicContact CD2-CE2 3.9Å; F151-F172 HydrophobicContact CG-CD2 4.39Å
152	I	88.6	Confident	88.7	Confident	87 Å²	87	59.3 Å²	59.3	45%	0.446	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-45.1	179	-69.3	165.1	0	0	0	111.3	L148 K149 Q155 G156	L148-I152 HydrophobicContact CD1-CD1 4.34Å; L148-I152 HydrophobicContact CG-CD1 4.14Å; L148-I152 VanDerWaalsContact O-CG1 3.3Å; L148-I152 WeakPolarHBondContact O-CG1 3.35Å; L148-I152 PolarHBondContact O-N 2.88Å; K149-I152 PolarHBondContact O-N 2.99Å; I152-Q155 PolarHBondContact O-N 3.4Å; I152-G156 PolarHBondContact O-N 3.39Å
153	V	89.1	Confident	88.4	Confident	118 Å²	118	62.3 Å²	62.3	72%	0.715	37%	0.368	S	S	*	.	H	α-helix	trans	-64.4	-40.5	177.5	172.5	0	0	0	0	111.3	K149 F151 Q155 G156	K149-V153 WeakPolarHBondContact O-CG2 3.02Å; K149-V153 PolarHBondContact O-N 2.91Å; F151-V153 PolarHBondContact O-N 2.92Å; V153-Q155 VanDerWaalsContact C-N 3.34Å; V153-Q155 PolarHBondContact O-N 2.84Å; V153-G156 PolarHBondContact O-N 3.4Å
154	A	87.4	Confident	88.3	Confident	63 Å²	63	62.8 Å²	62.8	52%	0.521	37%	0.371	S	S	.	.	H	α-helix	trans	-70.5	-26.8	179.6	0	0	0	0	0	113.9	Q150 F151 F172	Q150-A154 VanDerWaalsContact O-CB 3.23Å; Q150-A154 WeakPolarHBondContact O-CB 3.38Å; Q150-A154 PolarHBondContact O-N 2.68Å; F151-A154 PolarHBondContact O-N 2.97Å; A154-F172 HydrophobicContact CB-CE1 3.65Å; A154-F172 HydrophobicContact CB-CE2 4.38Å; A154-F172 HydrophobicContact CB-CZ 3.4Å; A154-F172 VanDerWaalsContact CB-CZ 3.4Å
155	Q	85.8	Confident	88.2	Confident	58 Å²	58	64 Å²	64	27%	0.271	38%	0.376	S	S	.	.	H	α-helix	trans	-72.9	-35.2	176.1	-178.5	60.1	22.6	0	0	112.5	F151 I152 V153	F151-Q155 PolarHBondContact O-N 2.78Å; I152-Q155 PolarHBondContact O-N 3.4Å; V153-Q155 VanDerWaalsContact C-N 3.34Å; V153-Q155 PolarHBondContact O-N 2.84Å
156	G	85.3	Confident	88.2	Confident	50 Å²	50	61 Å²	61	52%	0.515	36%	0.355	S	S	.	.			trans	65.2	-176.4	179.8	0	0	0	0	0	115	I152 V153 S158	I152-G156 PolarHBondContact O-N 3.39Å; V153-G156 PolarHBondContact O-N 3.4Å; G156-S158 PolarHBondContact O-N 2.86Å
157	S	84.9	Confident	88.2	Confident	109 Å²	109	60.3 Å²	60.3	76%	0.762	35%	0.354	S	S	*	.	S	Bend	trans	-98.5	69.2	-179.1	58.7	0	0	0	0	111.8
158	S	88.9	Confident	88.1	Confident	51 Å²	51	66.4 Å²	66.4	36%	0.357	38%	0.38	S	S	.	.			trans	-81.1	151.4	170.6	-173.6	0	0	0	0	111.2	Y100 S101 G156 A160	Y100-S158 CarbonylContact C-O 3.55Å; Y100-S158 WeakPolarHBondContact CA-O 3.47Å; S101-S158 PolarHBondContact N-O 3.5Å; S101-S158 PolarHBondContact OG-O 3.18Å; G156-S158 PolarHBondContact O-N 2.86Å; S158-A160 PolarHBondContact OG-N 3.29Å; S158-A160 VanDerWaalsContact OG-N 3.09Å
159	K	89.1	Confident	88.1	Confident	121 Å²	121	65.7 Å²	65.7	53%	0.526	38%	0.376	S	S	.	.	S	Bend	trans	-86.7	-15.1	165.1	-68.2	-162	-178.9	-160.1	0	113.1	T74 E99 V161	T74-K159 HydrophobicContact CG2-CB 4.18Å; T74-K159 HydrophobicContact CG2-CD 4.35Å; T74-K159 HydrophobicContact CG2-CG 4.18Å; E99-K159 IonicContact OE2-NZ 2.65Å; E99-K159 PolarHBondContact OE2-NZ 2.67Å; K159-V161 PolarHBondContact O-N 3.29Å
160	A	89	Confident	88.2	Confident	58 Å²	58	60.7 Å²	60.7	48%	0.479	35%	0.354	S	S	.	.	S	Bend	trans	-77.2	122.7	-178.3	0	0	0	0	0	111.3	S101 S158 V162	S101-A160 WeakPolarHBondContact CB-O 3.4Å; S101-A160 PolarHBondContact OG-O 2.94Å; S101-A160 VanDerWaalsContact OG-O 3.12Å; S158-A160 PolarHBondContact OG-N 3.29Å; S158-A160 VanDerWaalsContact OG-N 3.09Å; A160-V162 PolarHBondContact O-N 2.81Å; A160-V162 VanDerWaalsContact O-N 3.17Å
161	V	85.8	Confident	88.1	Confident	90 Å²	90	60.7 Å²	60.7	55%	0.545	36%	0.361	S	S	.	.			trans	-71.1	109.8	177.5	-178.6	0	0	0	0	109.9	N104 K159	N104-V161 WeakPolarHBondContact ND2-CG1 3.34Å; K159-V161 PolarHBondContact O-N 3.29Å
162	V	85.1	Confident	88	Confident	63 Å²	63	62.3 Å²	62.3	38%	0.382	37%	0.368	S	S	.	.			trans	-107.1	138.6	178.3	179.3	0	0	0	0	110.1	A160	A160-V162 PolarHBondContact O-N 2.81Å; A160-V162 VanDerWaalsContact O-N 3.17Å
163	M	88.1	Confident	88	Confident	63 Å²	63	58.2 Å²	58.2	31%	0.31	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.2	167.3	-165	170.8	-62.7	0	0	109.5	M106 Q317	M106-M163 HydrophobicContact CE-CB 4.23Å; M106-M163 HydrophobicContact CE-CG 4.05Å; M106-M163 HydrophobicContact CE-SD 4.43Å; M106-M163 HydrophobicContact CG-CG 3.59Å; M106-M163 HydrophobicContact CG-SD 3.84Å; M163-Q317 HydrophobicContact CE-CB 4.12Å; M163-Q317 HydrophobicContact CE-CG 3.65Å; M163-Q317 HydrophobicContact SD-CB 3.74Å; M163-Q317 HydrophobicContact SD-CG 3.98Å
164	M	90.2	Very high	87.6	Confident	17 Å²	17	56.2 Å²	56.2	8%	0.084	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.8	-171.9	-171.8	63.9	76.5	0	0	111.7	L103 N104 L105 M106 F151 K168	L103-M164 HydrophobicContact CD1-CB 4.09Å; N104-M164 PolarHBondContact O-N 3.41Å; L105-M164 CarbonylContact C-O 3.59Å; L105-M164 WeakPolarHBondContact CA-O 3.44Å; L105-M164 HydrophobicContact CD2-CB 4.12Å; L105-M164 HydrophobicContact CD2-CG 4.41Å; M106-M164 PolarHBondContact N-O 3.1Å; F151-M164 HydrophobicContact CE2-CE 4.33Å; F151-M164 HydrophobicContact CE2-CG 4.09Å; F151-M164 HydrophobicContact CZ-CG 4.12Å; M164-K168 HydrophobicContact SD-CB 3.96Å; M164-K168 HydrophobicContact SD-CD 3.4Å; M164-K168 WeakPolarHBondContact SD-CD 3.27Å; M164-K168 HydrophobicContact SD-CG 4.32Å
165	D	90.6	Very high	86.5	Confident	54 Å²	54	60 Å²	60	29%	0.289	33%	0.331	S	S	.	.			trans	-82.9	137.5	174.3	-170.4	-50.8	0	0	0	110.6	M106 N167 K168	M106-D165 HydrophobicContact SD-CB 4.33Å; D165-N167 VanDerWaalsContact C-N 3.27Å; D165-N167 PolarHBondContact O-N 2.8Å; D165-N167 VanDerWaalsContact OD1-CB 3.24Å; D165-N167 WeakPolarHBondContact OD1-CB 3.39Å; D165-N167 PolarHBondContact OD1-N 2.86Å; D165-N167 PolarHBondContact OD1-ND2 3.36Å; D165-K168 HydrophobicContact CB-CD 4.42Å; D165-K168 HydrophobicContact CB-CG 4.5Å; D165-K168 PolarHBondContact O-N 3Å
166	W	91.3	Very high	84.8	Confident	24 Å²	24	58.3 Å²	58.3	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-54.8	-38.6	175.1	-76.4	102.8	0	0	0	113.4	L105 M106 T108 P133 V138 K168 L169 W170	L105-W166 HydrophobicContact CB-CZ2 4.37Å; L105-W166 HydrophobicContact CD1-CH2 3.81Å; L105-W166 HydrophobicContact CD1-CZ2 3.82Å; L105-W166 HydrophobicContact CD1-CZ3 4.25Å; M106-W166 VanDerWaalsContact O-CD1 3.24Å; M106-W166 PolarHBondContact O-NE1 3.26Å; T108-W166 HydrophobicContact CG2-CZ2 4.03Å; P133-W166 HydrophobicContact CB-CH2 3.96Å; P133-W166 HydrophobicContact CB-CZ2 4.06Å; V138-W166 HydrophobicContact CG1-CH2 4.05Å; V138-W166 HydrophobicContact CG1-CZ3 3.9Å; W166-K168 PolarHBondContact O-N 3.3Å; W166-L169 HydrophobicContact CE3-CD2 3.96Å; W166-L169 HydrophobicContact CZ3-CD2 4.14Å; W166-L169 WeakPolarHBondContact O-CB 3.28Å; W166-L169 PolarHBondContact O-N 3.5Å; W166-W170 AromaticContact CE3-NE1 3.73Å; W166-W170 PolarHBondContact O-N 3.09Å
167	N	88.9	Confident	82.7	Confident	52 Å²	52	66.3 Å²	66.3	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-57.8	-36.9	-179.9	-67.6	-55	0	0	0	112	D165 W170 A171 G388	D165-N167 VanDerWaalsContact C-N 3.27Å; D165-N167 PolarHBondContact O-N 2.8Å; D165-N167 VanDerWaalsContact OD1-CB 3.24Å; D165-N167 WeakPolarHBondContact OD1-CB 3.39Å; D165-N167 PolarHBondContact OD1-N 2.86Å; D165-N167 PolarHBondContact OD1-ND2 3.36Å; N167-W170 PolarHBondContact O-N 3.3Å; N167-A171 WeakPolarHBondContact O-CB 3.34Å; N167-A171 PolarHBondContact O-N 2.74Å; N167-G388 VanDerWaalsContact O-CA 3.3Å; N167-G388 WeakPolarHBondContact O-CA 3.33Å
168	K	87	Confident	80.5	Confident	128 Å²	128	69.5 Å²	69.5	56%	0.557	34%	0.342	S	S	*	.	H	α-helix	trans	-64.8	-42.3	176.3	-69.2	173.7	176.7	174.1	0	111.4	M164 D165 W166 A171 F172	M164-K168 HydrophobicContact SD-CB 3.96Å; M164-K168 HydrophobicContact SD-CD 3.4Å; M164-K168 WeakPolarHBondContact SD-CD 3.27Å; M164-K168 HydrophobicContact SD-CG 4.32Å; D165-K168 HydrophobicContact CB-CD 4.42Å; D165-K168 HydrophobicContact CB-CG 4.5Å; D165-K168 PolarHBondContact O-N 3Å; W166-K168 PolarHBondContact O-N 3.3Å; K168-A171 PolarHBondContact O-N 3.29Å; K168-F172 WeakPolarHBondContact O-CD2 3.36Å
169	L	89.4	Confident	78.2	Confident	8 Å²	8	72.5 Å²	72.5	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-66.4	-42.3	176.2	171.7	146.2	0	0	0	111.4	M143 F151 W166 A171 F172	M143-L169 HydrophobicContact CE-CD2 3.36Å; M143-L169 HydrophobicContact CE-CG 4Å; F151-L169 HydrophobicContact CD1-CD1 3.92Å; F151-L169 HydrophobicContact CD1-CG 4.47Å; F151-L169 HydrophobicContact CD2-CB 4.07Å; F151-L169 HydrophobicContact CD2-CG 4.48Å; F151-L169 HydrophobicContact CE1-CD1 3.81Å; F151-L169 HydrophobicContact CE2-CB 4.04Å; F151-L169 HydrophobicContact CE2-CD1 4.49Å; F151-L169 HydrophobicContact CG-CB 4.47Å; F151-L169 HydrophobicContact CG-CD1 4.32Å; F151-L169 HydrophobicContact CG-CG 4.39Å; F151-L169 HydrophobicContact CZ-CB 4.41Å; F151-L169 HydrophobicContact CZ-CD1 4.11Å; W166-L169 HydrophobicContact CE3-CD2 3.96Å; W166-L169 HydrophobicContact CZ3-CD2 4.14Å; W166-L169 WeakPolarHBondContact O-CB 3.28Å; W166-L169 PolarHBondContact O-N 3.5Å; L169-A171 PolarHBondContact O-N 2.88Å; L169-F172 PolarHBondContact O-N 3.44Å
170	W	90.7	Very high	75.9	Confident	14 Å²	14	69.7 Å²	69.7	5%	0.053	37%	0.365	C	S	.	.	H	α-helix	trans	-68.5	-30.6	176.3	-70.7	118.7	0	0	0	114	R141 M143 W166 N167 F172 N173 R174 V385 P386	R141-W170 HydrophobicContact CB-CH2 3.83Å; R141-W170 HydrophobicContact CB-CZ2 4.22Å; R141-W170 HydrophobicContact CG-CH2 3.54Å; R141-W170 HydrophobicContact CG-CZ2 3.58Å; M143-W170 HydrophobicContact CB-CH2 3.98Å; M143-W170 HydrophobicContact CB-CZ3 3.98Å; M143-W170 HydrophobicContact CE-CD2 4.17Å; M143-W170 HydrophobicContact CE-CE3 3.63Å; M143-W170 HydrophobicContact CE-CH2 4.16Å; M143-W170 HydrophobicContact CE-CZ3 3.64Å; W166-W170 AromaticContact CE3-NE1 3.73Å; W166-W170 PolarHBondContact O-N 3.09Å; N167-W170 PolarHBondContact O-N 3.3Å; W170-F172 VanDerWaalsContact C-N 3.33Å; W170-F172 PolarHBondContact O-N 2.97Å; W170-N173 HydrophobicContact CE3-CB 4.27Å; W170-N173 WeakPolarHBondContact O-CB 3.5Å; W170-N173 PolarHBondContact O-N 2.78Å; W170-R174 PolarHBondContact O-N 2.66Å; W170-R174 VanDerWaalsContact O-N 3.16Å; W170-V385 HydrophobicContact CE3-CG1 4.29Å; W170-V385 HydrophobicContact CZ3-CG1 4.02Å; W170-P386 HydrophobicContact CB-CB 4.17Å; W170-P386 HydrophobicContact CD2-CB 3.84Å; W170-P386 HydrophobicContact CD2-CG 3.91Å; W170-P386 HydrophobicContact CE3-CB 4.42Å; W170-P386 HydrophobicContact CE3-CG 4.4Å; W170-P386 HydrophobicContact CG-CB 3.66Å; W170-P386 HydrophobicContact CG-CG 4.19Å; W170-P386 HydrophobicContact CZ2-CG 4.25Å
171	A	87.8	Confident	74.1	Confident	40 Å²	40	68.8 Å²	68.8	33%	0.331	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-38.4	176.1	0	0	0	0	0	112.8	N167 K168 L169 N173 R174 K175	N167-A171 WeakPolarHBondContact O-CB 3.34Å; N167-A171 PolarHBondContact O-N 2.74Å; K168-A171 PolarHBondContact O-N 3.29Å; L169-A171 PolarHBondContact O-N 2.88Å; A171-N173 VanDerWaalsContact C-N 3.28Å; A171-N173 PolarHBondContact O-N 3.11Å; A171-R174 PolarHBondContact O-N 3.08Å; A171-K175 PolarHBondContact O-N 3.26Å
172	F	85.4	Confident	73.4	Confident	40 Å²	40	65.4 Å²	65.4	18%	0.175	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-35.5	172.8	-74.5	-82	0	0	0	112.3	Q150 F151 A154 K168 L169 W170	Q150-F172 HydrophobicContact CB-CD1 4.06Å; F151-F172 HydrophobicContact CB-CB 4.38Å; F151-F172 HydrophobicContact CB-CD2 3.94Å; F151-F172 HydrophobicContact CB-CE2 4.47Å; F151-F172 HydrophobicContact CB-CG 4.16Å; F151-F172 AromaticContact CD2-CD2 3.83Å; F151-F172 HydrophobicContact CD2-CD2 3.83Å; F151-F172 AromaticContact CD2-CE2 3.9Å; F151-F172 HydrophobicContact CD2-CE2 3.9Å; F151-F172 HydrophobicContact CG-CD2 4.39Å; A154-F172 HydrophobicContact CB-CE1 3.65Å; A154-F172 HydrophobicContact CB-CE2 4.38Å; A154-F172 HydrophobicContact CB-CZ 3.4Å; A154-F172 VanDerWaalsContact CB-CZ 3.4Å; K168-F172 WeakPolarHBondContact O-CD2 3.36Å; L169-F172 PolarHBondContact O-N 3.44Å; W170-F172 VanDerWaalsContact C-N 3.33Å; W170-F172 PolarHBondContact O-N 2.97Å
173	N	88.1	Confident	73.5	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-71.8	-29.7	179.9	-162.8	45.6	0	0	0	113.1	G142 M143 T144 W170 A171 V182 I183	G142-N173 PolarHBondContact O-ND2 3.48Å; M143-N173 HydrophobicContact CE-CB 3.66Å; M143-N173 HydrophobicContact SD-CB 3.77Å; T144-N173 WeakPolarHBondContact CB-OD1 3.17Å; T144-N173 WeakPolarHBondContact CG2-OD1 3.31Å; T144-N173 PolarHBondContact N-OD1 2.82Å; T144-N173 PolarHBondContact OG1-OD1 2.97Å; W170-N173 HydrophobicContact CE3-CB 4.27Å; W170-N173 WeakPolarHBondContact O-CB 3.5Å; W170-N173 PolarHBondContact O-N 2.78Å; A171-N173 VanDerWaalsContact C-N 3.28Å; A171-N173 PolarHBondContact O-N 3.11Å; N173-V182 VanDerWaalsContact O-CB 3.29Å; N173-V182 WeakPolarHBondContact O-CB 3.22Å; N173-V182 VanDerWaalsContact O-CG1 3.24Å; N173-V182 WeakPolarHBondContact O-CG1 3.2Å; N173-I183 VanDerWaalsContact ND2-CD1 3.28Å; N173-I183 WeakPolarHBondContact ND2-CD1 3.09Å; N173-I183 WeakPolarHBondContact O-CD1 3.4Å; N173-I183 WeakPolarHBondContact O-CG1 3.24Å
174	R	80.4	Confident	73.4	Confident	76 Å²	76	61.5 Å²	61.5	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-81.6	-46.6	179.6	-173	178	-178.6	165.7	5.5	112.9	W170 A171 F360 G387	W170-R174 PolarHBondContact O-N 2.66Å; W170-R174 VanDerWaalsContact O-N 3.16Å; A171-R174 PolarHBondContact O-N 3.08Å; R174-F360 HydrophobicContact CG-CE2 4.34Å; R174-G387 WeakPolarHBondContact CD-O 3.42Å; R174-G387 PolarHBondContact NH1-O 2.61Å
175	K	64.8	Low	73.3	Confident	143 Å²	143	63.2 Å²	63.2	62%	0.622	33%	0.328	S	S	*	.			trans	-131.3	96.8	-176.8	-78.3	-179.8	176	173.4	0	110.5	A171 R177	A171-K175 PolarHBondContact O-N 3.26Å; K175-R177 PolarHBondContact O-N 3.26Å
176	A	50.1	Low	73.2	Confident	22 Å²	22	63.6 Å²	63.6	18%	0.182	33%	0.332	C	S	.	.			trans	-58.6	135.5	159	0	0	0	0	0	109.4	Q150 K178 S180 V182	Q150-A176 VanDerWaalsContact OE1-CB 3.31Å; A176-K178 PolarHBondContact O-N 3.4Å; A176-S180 WeakPolarHBondContact CB-O 3.43Å; A176-V182 HydrophobicContact CB-CG2 3.43Å; A176-V182 VanDerWaalsContact CB-CG2 3.43Å
177	R	40.3	Very low	73.3	Confident	218 Å²	218	62.6 Å²	62.6	82%	0.823	33%	0.329	S	S	*	.	S	Bend	trans	-75.6	-3.1	179.5	-118.1	-174.8	-73.9	169.7	-4.1	113.7	K175	K175-R177 PolarHBondContact O-N 3.26Å
178	K	39.2	Very low	73.6	Confident	176 Å²	176	61.4 Å²	61.4	77%	0.765	32%	0.324	S	S	*	.	S	Bend	trans	-151.8	142.7	-178.8	-66.7	-174.7	176.6	-179.6	0	110.9	A176 S180	A176-K178 PolarHBondContact O-N 3.4Å; K178-S180 VanDerWaalsContact C-N 3.27Å; K178-S180 PolarHBondContact O-N 3.21Å
179	A	41.6	Very low	74	Confident	114 Å²	114	57.4 Å²	57.4	94%	0.942	31%	0.306	S	S	*	.	S	Bend	trans	34.6	-54.3	162.8	0	0	0	0	0	120.7	A181	A179-A181 VanDerWaalsContact C-N 3.32Å; A179-A181 PolarHBondContact O-N 3.11Å
180	S	41.2	Very low	74.3	Confident	62 Å²	62	57.4 Å²	57.4	43%	0.434	31%	0.305	S	S	.	.	S	Bend	trans	-79.9	79.5	178.6	-167.6	0	0	0	0	110.6	A176 K178 V182	A176-S180 WeakPolarHBondContact CB-O 3.43Å; K178-S180 VanDerWaalsContact C-N 3.27Å; K178-S180 PolarHBondContact O-N 3.21Å; S180-V182 WeakPolarHBondContact O-CG2 3.48Å; S180-V182 PolarHBondContact O-N 3.06Å; S180-V182 VanDerWaalsContact O-N 3.08Å
181	A	50.8	Low	74.6	Confident	40 Å²	40	56.7 Å²	56.7	33%	0.331	30%	0.303	S	S	.	.			trans	-51.7	108	171.5	0	0	0	0	0	111.8	A179 P185 V186	A179-A181 VanDerWaalsContact C-N 3.32Å; A179-A181 PolarHBondContact O-N 3.11Å; A181-P185 HydrophobicContact CB-CB 3.66Å; A181-P185 HydrophobicContact CB-CG 3.51Å; A181-V186 HydrophobicContact CB-CG1 4.08Å
182	V	71.4	Confident	75	Confident	18 Å²	18	54.8 Å²	54.8	11%	0.109	29%	0.287	C	S	.	.			trans	-78.8	-52.8	-166.9	-166.3	0	0	0	0	113.3	T144 N173 A176 S180	T144-V182 HydrophobicContact CG2-CG1 3.66Å; T144-V182 WeakPolarHBondContact OG1-CG1 3.37Å; N173-V182 VanDerWaalsContact O-CB 3.29Å; N173-V182 WeakPolarHBondContact O-CB 3.22Å; N173-V182 VanDerWaalsContact O-CG1 3.24Å; N173-V182 WeakPolarHBondContact O-CG1 3.2Å; A176-V182 HydrophobicContact CB-CG2 3.43Å; A176-V182 VanDerWaalsContact CB-CG2 3.43Å; S180-V182 WeakPolarHBondContact O-CG2 3.48Å; S180-V182 PolarHBondContact O-N 3.06Å; S180-V182 VanDerWaalsContact O-N 3.08Å
183	I	86.4	Confident	75.5	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	28%	0.279	C	S	.	.	S	Bend	trans	-133.5	-65.1	-178.6	-64.9	175.8	0	0	0	110.8	T144 N173 P185 V186 A187 I352 F360 V385	T144-I183 HydrophobicContact CG2-CD1 4.35Å; T144-I183 HydrophobicContact CG2-CG1 4.22Å; N173-I183 VanDerWaalsContact ND2-CD1 3.28Å; N173-I183 WeakPolarHBondContact ND2-CD1 3.09Å; N173-I183 WeakPolarHBondContact O-CD1 3.4Å; N173-I183 WeakPolarHBondContact O-CG1 3.24Å; I183-P185 VanDerWaalsContact O-N 3.12Å; I183-V186 WeakPolarHBondContact O-CG2 3.44Å; I183-V186 PolarHBondContact O-N 3.2Å; I183-A187 HydrophobicContact CG2-CB 3.98Å; I183-A187 VanDerWaalsContact O-CB 3.28Å; I183-A187 WeakPolarHBondContact O-CB 3.49Å; I183-A187 PolarHBondContact O-N 2.62Å; I183-I352 HydrophobicContact CD1-CD1 3.86Å; I183-I352 HydrophobicContact CD1-CG2 4.11Å; I183-I352 HydrophobicContact CG1-CD1 4.08Å; I183-I352 HydrophobicContact CG1-CG2 4.2Å; I183-I352 HydrophobicContact CG2-CG2 3.7Å; I183-F360 HydrophobicContact CG2-CB 4.35Å; I183-F360 HydrophobicContact CG2-CD1 3.38Å; I183-F360 HydrophobicContact CG2-CD2 4.43Å; I183-F360 HydrophobicContact CG2-CE1 3.69Å; I183-F360 HydrophobicContact CG2-CG 3.79Å; I183-F360 HydrophobicContact CG2-CZ 4.35Å; I183-V385 HydrophobicContact CD1-CG1 3.97Å
184	D	86.9	Confident	75.9	Confident	41 Å²	41	53.5 Å²	53.5	22%	0.219	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-39.2	-169	-177.1	34.3	0	0	0	114.9	R189 H216 F360	D184-R189 IonicContact OD1-NH2 3.19Å; D184-H216 PolarHBondContact O-NE2 2.68Å; D184-F360 HydrophobicContact CB-CZ 3.88Å
185	P	87.1	Confident	76.5	Confident	53 Å²	53	54.5 Å²	54.5	34%	0.344	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.7	-180	-9.1	29.2	0	0	0	115.6	A181 I183 N219	A181-P185 HydrophobicContact CB-CB 3.66Å; A181-P185 HydrophobicContact CB-CG 3.51Å; I183-P185 VanDerWaalsContact O-N 3.12Å; P185-N219 WeakPolarHBondContact O-CB 3.49Å; P185-N219 PolarHBondContact O-ND2 3.2Å
186	V	89	Confident	77.8	Confident	62 Å²	62	54.2 Å²	54.2	38%	0.376	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-23.1	-176.1	-64.8	0	0	0	0	113.7	A181 I183 P188 V222	A181-V186 HydrophobicContact CB-CG1 4.08Å; I183-V186 WeakPolarHBondContact O-CG2 3.44Å; I183-V186 PolarHBondContact O-N 3.2Å; V186-P188 WeakPolarHBondContact O-CD 3.18Å; V186-V222 WeakPolarHBondContact O-CG2 3.35Å
187	A	92.2	Very high	79.8	Confident	3 Å²	3	58.5 Å²	58.5	3%	0.025	31%	0.31	C	S	.	.	S	Bend	trans	-69	122.9	-176.7	0	0	0	0	0	111.7	I183 H216 F360	I183-A187 HydrophobicContact CG2-CB 3.98Å; I183-A187 VanDerWaalsContact O-CB 3.28Å; I183-A187 WeakPolarHBondContact O-CB 3.49Å; I183-A187 PolarHBondContact O-N 2.62Å; A187-H216 PolarHBondContact O-CD2 3.42Å; A187-F360 HydrophobicContact CB-CD1 4.12Å; A187-F360 HydrophobicContact CB-CE1 3.99Å
188	P	95.3	Very high	82.5	Confident	27 Å²	27	49.9 Å²	49.9	18%	0.175	28%	0.28	C	S	.	.			trans	-64.1	143.6	174.4	27.4	-36	0	0	0	111.4	V186 F190 K215 V222 V353 Q354	V186-P188 WeakPolarHBondContact O-CD 3.18Å; P188-F190 HydrophobicContact CB-CD2 4.44Å; P188-F190 HydrophobicContact CB-CE2 3.7Å; P188-F190 HydrophobicContact CB-CZ 4.23Å; P188-F190 HydrophobicContact CG-CE2 3.75Å; P188-F190 HydrophobicContact CG-CZ 4.47Å; P188-K215 HydrophobicContact CB-CB 3.89Å; P188-K215 HydrophobicContact CB-CD 4.3Å; P188-K215 HydrophobicContact CB-CG 4.22Å; P188-V222 HydrophobicContact CB-CG1 3.84Å; P188-V353 HydrophobicContact CG-CG1 4.1Å; P188-Q354 PolarHBondContact O-N 2.79Å
189	R	95.6	Very high	85.2	Confident	44 Å²	44	41.6 Å²	41.6	17%	0.166	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.2	-172	-51.4	-170.4	-176.7	-159	-9.6	111.1	D184 K215 H216 R225 Q354 Q356	D184-R189 IonicContact OD1-NH2 3.19Å; R189-K215 WeakPolarHBondContact CB-O 3.45Å; R189-K215 WeakPolarHBondContact CG-O 3.36Å; R189-K215 PolarHBondContact N-O 3.16Å; R189-H216 PolarHBondContact NE-CD2 2.91Å; R189-H216 PolarHBondContact NE-NE2 3.19Å; R189-H216 PolarHBondContact NH2-NE2 3.34Å; R189-R225 PolarHBondContact O-NE 2.99Å; R189-R225 PolarHBondContact O-NH2 2.84Å; R189-R225 VanDerWaalsContact O-NH2 3.09Å; R189-Q354 CarbonylContact C-O 3.56Å; R189-Q354 WeakPolarHBondContact CA-O 3.23Å; R189-Q354 HydrophobicContact CG-CB 4.13Å; R189-Q354 VanDerWaalsContact NE-OE1 3.16Å; R189-Q356 HydrophobicContact CB-CG 4.06Å
190	F	96.5	Very high	87.8	Confident	8 Å²	8	37.5 Å²	37.5	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	160.8	-179.6	-63.3	-88.5	0	0	0	112.1	P188 E341 A343 M344 I347 V353 Q354 L355 Q356	P188-F190 HydrophobicContact CB-CD2 4.44Å; P188-F190 HydrophobicContact CB-CE2 3.7Å; P188-F190 HydrophobicContact CB-CZ 4.23Å; P188-F190 HydrophobicContact CG-CE2 3.75Å; P188-F190 HydrophobicContact CG-CZ 4.47Å; F190-E341 WeakPolarHBondContact CA-OE1 3.47Å; F190-E341 VanDerWaalsContact CB-OE1 3.25Å; F190-E341 WeakPolarHBondContact CB-OE1 3.35Å; F190-E341 HydrophobicContact CD1-CG 4.33Å; F190-E341 VanDerWaalsContact CD1-OE1 3.28Å; F190-E341 WeakPolarHBondContact CD1-OE1 3.4Å; F190-A343 HydrophobicContact CD1-CB 4.38Å; F190-A343 HydrophobicContact CE1-CB 3.96Å; F190-M344 HydrophobicContact CB-CE 4.32Å; F190-M344 HydrophobicContact CB-CG 3.87Å; F190-M344 HydrophobicContact CB-SD 3.86Å; F190-M344 HydrophobicContact CD1-CG 3.49Å; F190-M344 VanDerWaalsContact CD1-CG 3.49Å; F190-M344 HydrophobicContact CE1-CG 4.16Å; F190-M344 HydrophobicContact CG-CG 3.77Å; F190-M344 HydrophobicContact CG-SD 4.41Å; F190-I347 HydrophobicContact CD2-CD1 4.13Å; F190-I347 HydrophobicContact CE2-CD1 3.92Å; F190-I347 HydrophobicContact CE2-CG1 4.17Å; F190-I347 HydrophobicContact CZ-CD1 4.17Å; F190-I347 HydrophobicContact CZ-CG1 4.13Å; F190-V353 HydrophobicContact CD2-CB 3.96Å; F190-V353 HydrophobicContact CD2-CG1 4.12Å; F190-V353 HydrophobicContact CE2-CB 4.17Å; F190-V353 HydrophobicContact CE2-CG1 3.84Å; F190-Q354 PolarHBondContact N-O 2.78Å; F190-L355 HydrophobicContact CB-CD2 4.27Å; F190-Q356 PolarHBondContact O-N 2.98Å
191	I	96.3	Very high	90.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.			trans	-104.7	126.5	169.9	-57.5	-177.9	0	0	0	108.7	L193 M227 T291 W292 L293 E341	I191-L193 HydrophobicContact CG2-CD2 3.93Å; I191-L193 HydrophobicContact CG2-CG 4.45Å; I191-M227 HydrophobicContact CD1-CE 3.72Å; I191-M227 HydrophobicContact CG1-CE 4.48Å; I191-T291 HydrophobicContact CD1-CG2 4.38Å; I191-T291 HydrophobicContact CG1-CG2 4.15Å; I191-T291 HydrophobicContact CG2-CG2 4.06Å; I191-W292 WeakPolarHBondContact CG2-O 3.48Å; I191-L293 HydrophobicContact CB-CD2 4.2Å; I191-L293 HydrophobicContact CG2-CD2 3.94Å; I191-L293 HydrophobicContact CG2-CG 4.22Å; I191-E341 PolarHBondContact N-OE1 2.76Å; I191-E341 PolarHBondContact O-N 2.94Å; I191-E341 VanDerWaalsContact O-N 3.1Å
192	A	96.6	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.5	164.2	0	0	0	0	0	108.9	M338 L339 M344 L355 K358	A192-M338 HydrophobicContact CB-CB 4.31Å; A192-M338 HydrophobicContact CB-SD 3.99Å; A192-L339 CarbonylContact C-O 3.59Å; A192-L339 WeakPolarHBondContact CA-O 3.31Å; A192-M344 HydrophobicContact CB-CE 4.46Å; A192-M344 HydrophobicContact CB-SD 4.24Å; A192-L355 HydrophobicContact CB-CD1 4.26Å; A192-L355 HydrophobicContact CB-CD2 4.06Å; A192-K358 WeakPolarHBondContact O-CE 3.38Å
193	L	96.8	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.1	-177.7	-48.6	179.2	0	0	0	108.9	I191 K195 L198 L234 E236 L293 M338 L339	I191-L193 HydrophobicContact CG2-CD2 3.93Å; I191-L193 HydrophobicContact CG2-CG 4.45Å; L193-K195 PolarHBondContact O-N 3.38Å; L193-L198 HydrophobicContact CB-CD2 3.73Å; L193-L198 HydrophobicContact CD1-CD2 3.98Å; L193-L234 HydrophobicContact CD1-CB 4.16Å; L193-L234 WeakPolarHBondContact CD1-O 3.35Å; L193-E236 HydrophobicContact CB-CG 3.89Å; L193-E236 HydrophobicContact CD2-CG 4.1Å; L193-E236 HydrophobicContact CG-CG 4.47Å; L193-L293 HydrophobicContact CD1-CB 4.09Å; L193-L293 HydrophobicContact CD1-CD1 3.99Å; L193-L293 HydrophobicContact CD1-CG 3.84Å; L193-L293 HydrophobicContact CG-CD1 3.89Å; L193-L293 HydrophobicContact CG-CG 3.95Å; L193-M338 CarbonylContact O-C 3.57Å; L193-M338 WeakPolarHBondContact O-CA 3.35Å; L193-M338 VanDerWaalsContact O-CB 3.24Å; L193-M338 WeakPolarHBondContact O-CB 3.4Å; L193-L339 PolarHBondContact N-O 3.21Å; L193-L339 PolarHBondContact O-N 2.85Å
194	C	96	Very high	93.4	Very high	13 Å²	13	40.9 Å²	40.9	9%	0.088	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	133.7	171.4	-65.7	0	0	0	0	109.8	E196 L198 E236 K358 G396 L397	C194-E196 VanDerWaalsContact C-N 3.28Å; C194-E196 PolarHBondContact O-N 2.93Å; C194-L198 WeakPolarHBondContact O-CD2 2.92Å; C194-L198 VanDerWaalsContact O-CG 3.31Å; C194-L198 WeakPolarHBondContact O-CG 3.35Å; C194-E236 WeakPolarHBondContact CB-OE1 3.42Å; C194-E236 PolarHBondContact N-OE1 3.34Å; C194-E236 PolarHBondContact SG-OE1 2.93Å; C194-K358 PolarHBondContact SG-NZ 3.41Å; C194-G396 PolarHBondContact SG-O 2.84Å; C194-L397 WeakPolarHBondContact SG-CD2 3.22Å
195	K	93.1	Very high	92.9	Very high	97 Å²	97	42 Å²	42	42%	0.422	22%	0.217	S	C	.	.	S	Bend	trans	-71.1	-24.1	-173.5	-173.6	-172.6	176.2	-162.3	0	113	L193 L303 E337 L339	L193-K195 PolarHBondContact O-N 3.38Å; K195-L303 HydrophobicContact CD-CD1 4.49Å; K195-E337 HydrophobicContact CB-CB 4.16Å; K195-E337 WeakPolarHBondContact CB-O 3.5Å; K195-E337 HydrophobicContact CD-CB 3.96Å; K195-E337 VanDerWaalsContact CD-OE2 3.22Å; K195-E337 WeakPolarHBondContact CD-OE2 3.33Å; K195-E337 PolarHBondContact N-O 3.37Å; K195-E337 IonicContact NZ-OE2 2.67Å; K195-E337 PolarHBondContact NZ-OE2 3.2Å; K195-L339 HydrophobicContact CG-CG 4.47Å
196	E	92.2	Very high	91.9	Very high	137 Å²	137	46.3 Å²	46.3	64%	0.64	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	131.4	177.7	-63.6	-177.8	-173.3	0	0	111.4	C194 L198	C194-E196 VanDerWaalsContact C-N 3.28Å; C194-E196 PolarHBondContact O-N 2.93Å; E196-L198 PolarHBondContact O-N 2.65Å
197	N	92	Very high	90.9	Very high	112 Å²	112	47.1 Å²	47.1	60%	0.599	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	45.6	173.4	-49.1	-53.8	0	0	0	113.8	Q237	N197-Q237 HydrophobicContact CB-CB 4.02Å; N197-Q237 HydrophobicContact CB-CG 4.4Å; N197-Q237 WeakPolarHBondContact O-CB 3.25Å; N197-Q237 PolarHBondContact O-N 2.65Å
198	L	95.7	Very high	90.3	Very high	37 Å²	37	52.8 Å²	52.8	19%	0.194	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	133.1	169.4	-72	173	0	0	0	110.6	L193 C194 E196 L234 E236 L339	L193-L198 HydrophobicContact CB-CD2 3.73Å; L193-L198 HydrophobicContact CD1-CD2 3.98Å; C194-L198 WeakPolarHBondContact O-CD2 2.92Å; C194-L198 VanDerWaalsContact O-CG 3.31Å; C194-L198 WeakPolarHBondContact O-CG 3.35Å; E196-L198 PolarHBondContact O-N 2.65Å; L198-L234 HydrophobicContact CD1-CD1 4.18Å; L198-E236 HydrophobicContact CD2-CG 4.42Å; L198-L339 HydrophobicContact CD1-CD1 3.73Å; L198-L339 HydrophobicContact CD1-CG 4.41Å
199	V	97	Very high	89.8	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.9	-178.7	179.2	0	0	0	0	109.3	I235 A240 V270 V273	V199-I235 HydrophobicContact CB-CG1 4.15Å; V199-I235 PolarHBondContact N-O 2.76Å; V199-I235 WeakPolarHBondContact O-CG1 3.44Å; V199-I235 PolarHBondContact O-N 3.23Å; V199-A240 HydrophobicContact CB-CB 3.89Å; V199-A240 HydrophobicContact CG1-CB 4.01Å; V199-A240 HydrophobicContact CG2-CB 3.75Å; V199-V270 HydrophobicContact CG1-CG1 3.87Å; V199-V270 WeakPolarHBondContact CG2-O 3.47Å; V199-V273 HydrophobicContact CG1-CG2 4.19Å
200	P	96.8	Very high	89.4	Confident	28 Å²	28	61.5 Å²	61.5	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.1	173	30.2	-34.1	0	0	0	111.2	F202 V233 T271 S272 V273	P200-F202 HydrophobicContact CB-CE2 3.91Å; P200-F202 HydrophobicContact CB-CZ 4.14Å; P200-F202 HydrophobicContact CG-CE2 4.17Å; P200-V233 WeakPolarHBondContact CA-O 3.2Å; P200-T271 WeakPolarHBondContact CD-O 3.47Å; P200-S272 WeakPolarHBondContact O-CA 3.48Å; P200-V273 PolarHBondContact O-N 2.71Å
201	L	96.6	Very high	89.1	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.4	168.7	-175.2	158.8	0	0	0	108.4	I203 V233 I235 I257 V273 A275	L201-I203 HydrophobicContact CD2-CD1 4.21Å; L201-I203 HydrophobicContact CD2-CG1 3.53Å; L201-V233 HydrophobicContact CB-CG2 3.81Å; L201-V233 HydrophobicContact CD2-CG2 3.92Å; L201-V233 HydrophobicContact CG-CG2 4.36Å; L201-V233 PolarHBondContact N-O 2.81Å; L201-V233 PolarHBondContact O-N 2.81Å; L201-I235 HydrophobicContact CB-CD1 4.44Å; L201-I235 HydrophobicContact CD1-CD1 4.08Å; L201-I257 HydrophobicContact CD1-CD1 3.82Å; L201-I257 HydrophobicContact CD2-CD1 4.25Å; L201-V273 CarbonylContact C-O 3.49Å; L201-V273 WeakPolarHBondContact CA-O 3.24Å; L201-V273 HydrophobicContact CB-CB 4.08Å; L201-V273 HydrophobicContact CD1-CB 4.24Å; L201-V273 HydrophobicContact CD1-CG1 3.85Å; L201-V273 HydrophobicContact CG-CB 3.91Å; L201-V273 HydrophobicContact CG-CG1 3.81Å; L201-A275 HydrophobicContact CD2-CB 4.06Å
202	F	95.9	Very high	89	Confident	74 Å²	74	70 Å²	70	33%	0.325	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.2	177.3	-61.6	-86.3	0	0	0	109.8	P200 P231 K232 V273 K274 A275	P200-F202 HydrophobicContact CB-CE2 3.91Å; P200-F202 HydrophobicContact CB-CZ 4.14Å; P200-F202 HydrophobicContact CG-CE2 4.17Å; F202-P231 CarbonylContact C-O 3.6Å; F202-P231 WeakPolarHBondContact CA-O 3.15Å; F202-K232 HydrophobicContact CD1-CB 4.38Å; F202-K232 HydrophobicContact CD1-CG 4.06Å; F202-K232 HydrophobicContact CE1-CB 4.44Å; F202-K232 HydrophobicContact CE1-CD 3.81Å; F202-K232 HydrophobicContact CE1-CG 3.79Å; F202-K232 HydrophobicContact CZ-CD 4.32Å; F202-K232 HydrophobicContact CZ-CG 4.42Å; F202-V273 PolarHBondContact N-O 3.07Å; F202-K274 HydrophobicContact CB-CG 4.42Å; F202-K274 CarbonylContact O-C 3.53Å; F202-K274 WeakPolarHBondContact O-CA 3.38Å; F202-A275 PolarHBondContact O-N 2.89Å
203	I	93.1	Very high	88.9	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.5	175.4	-61.7	176.1	0	0	0	106.6	L201 D205 P231 V233 L251 W254 A275 L277	L201-I203 HydrophobicContact CD2-CD1 4.21Å; L201-I203 HydrophobicContact CD2-CG1 3.53Å; I203-D205 HydrophobicContact CG2-CB 4.14Å; I203-D205 PolarHBondContact O-N 3.44Å; I203-P231 PolarHBondContact N-O 3.11Å; I203-V233 HydrophobicContact CD1-CG1 4.41Å; I203-L251 HydrophobicContact CD1-CD1 4.03Å; I203-W254 HydrophobicContact CD1-CE3 4.16Å; I203-W254 HydrophobicContact CD1-CH2 3.43Å; I203-W254 VanDerWaalsContact CD1-CH2 3.43Å; I203-W254 HydrophobicContact CD1-CZ2 4.11Å; I203-W254 HydrophobicContact CD1-CZ3 3.47Å; I203-W254 VanDerWaalsContact CD1-CZ3 3.47Å; I203-A275 WeakPolarHBondContact CA-O 3.29Å; I203-L277 HydrophobicContact CG2-CD1 4.28Å; I203-L277 HydrophobicContact CG2-CD2 4.17Å; I203-L277 HydrophobicContact CG2-CG 3.69Å
204	N	82	Confident	88.7	Confident	112 Å²	112	72.8 Å²	72.8	60%	0.599	36%	0.356	S	S	*	.	S	Bend	trans	-76.1	59.9	179.5	-66.7	-8.7	0	0	0	111.3	A275	N204-A275 PolarHBondContact N-O 2.81Å
205	D	74.7	Confident	88.6	Confident	63 Å²	63	75.2 Å²	75.2	34%	0.337	37%	0.365	S	S	.	.	S	Bend	trans	-154.7	132.8	176.1	-157.3	-28.8	0	0	0	108.6	I203 Q207 L277	I203-D205 HydrophobicContact CG2-CB 4.14Å; I203-D205 PolarHBondContact O-N 3.44Å; D205-Q207 PolarHBondContact O-N 3.36Å; D205-Q207 VanDerWaalsContact O-N 3.14Å; D205-L277 HydrophobicContact CB-CD1 4.04Å
206	D	66.3	Low	88.6	Confident	144 Å²	144	70.9 Å²	70.9	77%	0.77	35%	0.346	S	S	*	.			trans	-79.9	9.7	-172.2	-71.6	-41.3	0	0	0	113.6	H208	D206-H208 PolarHBondContact O-N 3.46Å; D206-H208 PolarHBondContact O-ND1 2.99Å; D206-H208 VanDerWaalsContact O-ND1 3.14Å
207	Q	69.3	Low	88.5	Confident	79 Å²	79	68.5 Å²	68.5	37%	0.369	34%	0.343	S	S	.	.			trans	-63.7	96.8	-178.9	-72.2	-167	9.6	0	0	113	D205 G230	D205-Q207 PolarHBondContact O-N 3.36Å; D205-Q207 VanDerWaalsContact O-N 3.14Å; Q207-G230 WeakPolarHBondContact O-CA 3.45Å
208	H	78.5	Confident	88.3	Confident	122 Å²	122	72 Å²	72	57%	0.565	35%	0.352	S	S	*	.			trans	-90.8	113.3	157.8	-66.6	78.8	0	0	0	108.6	D206 Y229 P231	D206-H208 PolarHBondContact O-N 3.46Å; D206-H208 PolarHBondContact O-ND1 2.99Å; D206-H208 VanDerWaalsContact O-ND1 3.14Å; H208-Y229 WeakPolarHBondContact CA-O 3.46Å; H208-P231 WeakPolarHBondContact CE1-CD 3.45Å; H208-P231 VanDerWaalsContact CE1-CG 3.47Å; H208-P231 WeakPolarHBondContact CE1-CG 3.28Å; H208-P231 VanDerWaalsContact NE2-CD 3.29Å; H208-P231 WeakPolarHBondContact NE2-CD 3.03Å
209	E	85.6	Confident	88	Confident	80 Å²	80	71.6 Å²	71.6	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.3	-177.5	-151	-174.1	153.3	0	0	111.6	K211 Y229	E209-K211 VanDerWaalsContact CD-CE 3.47Å; E209-K211 HydrophobicContact CG-CG 4.45Å; E209-K211 WeakPolarHBondContact OE1-CE 3.41Å; E209-K211 IonicContact OE1-NZ 3.36Å; E209-K211 PolarHBondContact OE1-NZ 3.05Å; E209-K211 WeakPolarHBondContact OE2-CE 3.27Å; E209-K211 IonicContact OE2-NZ 2.59Å; E209-K211 PolarHBondContact OE2-NZ 3.34Å; E209-Y229 PolarHBondContact N-O 2.98Å; E209-Y229 VanDerWaalsContact N-O 3.07Å; E209-Y229 WeakPolarHBondContact O-CD2 3.37Å; E209-Y229 PolarHBondContact O-N 3.21Å
210	R	87.6	Confident	87.7	Confident	175 Å²	175	77 Å²	77	66%	0.66	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	105.4	173.9	-172.4	178.2	-178.6	169.1	3.5	109.1	P226 M227 L228	R210-P226 HydrophobicContact CG-CB 4.31Å; R210-M227 WeakPolarHBondContact CA-O 3.46Å; R210-L228 HydrophobicContact CB-CD2 3.98Å; R210-L228 HydrophobicContact CG-CD2 3.96Å
211	K	90.1	Very high	87.5	Confident	72 Å²	72	84.3 Å²	84.3	31%	0.313	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	153	176.9	-57	-179.1	161.4	105	0	111	E209 P226 M227 Y229	E209-K211 VanDerWaalsContact CD-CE 3.47Å; E209-K211 HydrophobicContact CG-CG 4.45Å; E209-K211 WeakPolarHBondContact OE1-CE 3.41Å; E209-K211 IonicContact OE1-NZ 3.36Å; E209-K211 PolarHBondContact OE1-NZ 3.05Å; E209-K211 WeakPolarHBondContact OE2-CE 3.27Å; E209-K211 IonicContact OE2-NZ 2.59Å; E209-K211 PolarHBondContact OE2-NZ 3.34Å; K211-P226 CarbonylContact O-C 3.55Å; K211-P226 WeakPolarHBondContact O-CA 3.06Å; K211-M227 PolarHBondContact N-O 2.9Å; K211-M227 PolarHBondContact O-N 3.47Å; K211-Y229 HydrophobicContact CB-CD2 4.45Å; K211-Y229 HydrophobicContact CB-CE2 3.65Å; K211-Y229 HydrophobicContact CD-CE2 4.04Å; K211-Y229 HydrophobicContact CG-CD2 4.22Å; K211-Y229 HydrophobicContact CG-CE2 3.79Å
212	Q	93.4	Very high	87.3	Confident	113 Å²	113	85.8 Å²	85.8	53%	0.528	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.5	162.4	-60.3	-63.8	-4	0	0	109.2	E224 R225	Q212-E224 HydrophobicContact CB-CB 4.19Å; Q212-E224 VanDerWaalsContact CB-OE2 3.29Å; Q212-E224 WeakPolarHBondContact CB-OE2 3.07Å; Q212-R225 PolarHBondContact OE1-O 3.44Å
213	V	93.7	Very high	87.2	Confident	19 Å²	19	83.6 Å²	83.6	12%	0.115	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.5	179.5	-179.6	0	0	0	0	108.5	K215 E224 R225 M227 Y229 N253	V213-K215 PolarHBondContact O-N 3.38Å; V213-E224 CarbonylContact O-C 3.49Å; V213-E224 VanDerWaalsContact O-CA 3.31Å; V213-E224 WeakPolarHBondContact O-CA 3.48Å; V213-R225 PolarHBondContact N-O 2.97Å; V213-R225 PolarHBondContact O-N 2.7Å; V213-M227 HydrophobicContact CG2-CB 3.79Å; V213-M227 HydrophobicContact CG2-SD 4.28Å; V213-Y229 WeakPolarHBondContact CG2-OH 3.36Å; V213-N253 HydrophobicContact CG1-CB 3.85Å
214	A	94.2	Very high	87.3	Confident	41 Å²	41	88.9 Å²	88.9	34%	0.339	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	126.4	175.6	0	0	0	0	0	111.5	H216	A214-H216 PolarHBondContact O-N 2.85Å
215	K	93.9	Very high	87.9	Confident	64 Å²	64	83.7 Å²	83.7	28%	0.278	42%	0.421	S	S	.	.	S	Bend	trans	-61.7	-29.2	172.4	-77.8	164.6	169.6	167.4	0	111.4	P188 R189 V213 V222 G223 E224 R225	P188-K215 HydrophobicContact CB-CB 3.89Å; P188-K215 HydrophobicContact CB-CD 4.3Å; P188-K215 HydrophobicContact CB-CG 4.22Å; R189-K215 WeakPolarHBondContact CB-O 3.45Å; R189-K215 WeakPolarHBondContact CG-O 3.36Å; R189-K215 PolarHBondContact N-O 3.16Å; V213-K215 PolarHBondContact O-N 3.38Å; K215-V222 HydrophobicContact CB-CB 4.37Å; K215-V222 HydrophobicContact CB-CG1 3.79Å; K215-V222 HydrophobicContact CD-CG1 4.33Å; K215-V222 WeakPolarHBondContact CD-O 3.38Å; K215-G223 VanDerWaalsContact CB-O 3.32Å; K215-G223 WeakPolarHBondContact CB-O 3.19Å; K215-G223 PolarHBondContact N-O 2.91Å; K215-E224 WeakPolarHBondContact CD-O 3.48Å; K215-E224 WeakPolarHBondContact CE-O 3.2Å; K215-E224 PolarHBondContact NZ-O 3.4Å; K215-R225 HydrophobicContact CG-CB 3.95Å; K215-R225 HydrophobicContact CG-CG 3.83Å
216	H	92.8	Very high	88.7	Confident	5 Å²	5	82.6 Å²	82.6	2%	0.023	42%	0.417	C	S	.	.	S	Bend	trans	-137.9	117.7	176.7	-169.8	-92.5	0	0	0	111.9	D184 A187 R189 A214 K218 N219 V222	D184-H216 PolarHBondContact O-NE2 2.68Å; A187-H216 PolarHBondContact O-CD2 3.42Å; R189-H216 PolarHBondContact NE-CD2 2.91Å; R189-H216 PolarHBondContact NE-NE2 3.19Å; R189-H216 PolarHBondContact NH2-NE2 3.34Å; A214-H216 PolarHBondContact O-N 2.85Å; H216-K218 PolarHBondContact ND1-N 2.99Å; H216-K218 PolarHBondContact O-N 3.07Å; H216-N219 HydrophobicContact CB-CB 4.17Å; H216-N219 WeakPolarHBondContact ND1-CB 3.23Å; H216-N219 PolarHBondContact ND1-N 3.43Å; H216-N219 CarbonylContact O-C 3.56Å; H216-N219 PolarHBondContact O-N 3.44Å; H216-N219 VanDerWaalsContact O-N 3.12Å; H216-V222 HydrophobicContact CB-CB 3.97Å; H216-V222 HydrophobicContact CB-CG1 4.34Å; H216-V222 HydrophobicContact CB-CG2 3.81Å
217	P	88.8	Confident	89.9	Confident	87 Å²	87	76.1 Å²	76.1	57%	0.565	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-4.7	-169.1	30.5	-37.5	0	0	0	114.6
218	K	88.4	Confident	90.9	Very high	185 Å²	185	74.3 Å²	74.3	80%	0.804	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	4.6	175.1	-59	-175.4	178.9	-176.9	0	113.3	H216	H216-K218 PolarHBondContact ND1-N 2.99Å; H216-K218 PolarHBondContact O-N 3.07Å
219	N	89.6	Confident	91.5	Very high	30 Å²	30	69 Å²	69	16%	0.16	35%	0.35	C	S	.	.			trans	-144.6	91.4	-178	-172.1	-5.7	0	0	0	109.7	P185 H216 E221 V222	P185-N219 WeakPolarHBondContact O-CB 3.49Å; P185-N219 PolarHBondContact O-ND2 3.2Å; H216-N219 HydrophobicContact CB-CB 4.17Å; H216-N219 WeakPolarHBondContact ND1-CB 3.23Å; H216-N219 PolarHBondContact ND1-N 3.43Å; H216-N219 CarbonylContact O-C 3.56Å; H216-N219 PolarHBondContact O-N 3.44Å; H216-N219 VanDerWaalsContact O-N 3.12Å; N219-E221 PolarHBondContact O-N 3.4Å; N219-E221 WeakPolarHBondContact OD1-CB 3.33Å; N219-E221 PolarHBondContact OD1-N 3.19Å; N219-V222 HydrophobicContact CB-CG2 4.01Å; N219-V222 PolarHBondContact O-N 2.62Å
220	P	91.6	Very high	91.8	Very high	115 Å²	115	65.2 Å²	65.2	75%	0.747	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-60.7	-24.3	178.8	-24.2	35.4	0	0	0	114.1	V222 G223	P220-V222 PolarHBondContact O-N 2.73Å; P220-G223 WeakPolarHBondContact O-CA 3.43Å; P220-G223 PolarHBondContact O-N 3.12Å
221	E	92	Very high	92	Very high	183 Å²	183	58.4 Å²	58.4	86%	0.855	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-66.9	-21.6	-177.2	-57.3	-175.4	162.7	0	0	113.2	N219 G223	N219-E221 PolarHBondContact O-N 3.4Å; N219-E221 WeakPolarHBondContact OD1-CB 3.33Å; N219-E221 PolarHBondContact OD1-N 3.19Å; E221-G223 PolarHBondContact O-N 3.22Å
222	V	91.6	Very high	92.2	Very high	33 Å²	33	58.4 Å²	58.4	20%	0.2	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-67.1	-16	172.1	-169.8	0	0	0	0	111.2	V186 P188 K215 H216 N219 P220	V186-V222 WeakPolarHBondContact O-CG2 3.35Å; P188-V222 HydrophobicContact CB-CG1 3.84Å; K215-V222 HydrophobicContact CB-CB 4.37Å; K215-V222 HydrophobicContact CB-CG1 3.79Å; K215-V222 HydrophobicContact CD-CG1 4.33Å; K215-V222 WeakPolarHBondContact CD-O 3.38Å; H216-V222 HydrophobicContact CB-CB 3.97Å; H216-V222 HydrophobicContact CB-CG1 4.34Å; H216-V222 HydrophobicContact CB-CG2 3.81Å; N219-V222 HydrophobicContact CB-CG2 4.01Å; N219-V222 PolarHBondContact O-N 2.62Å; P220-V222 PolarHBondContact O-N 2.73Å
223	G	93.9	Very high	92.3	Very high	27 Å²	27	53 Å²	53	28%	0.278	29%	0.286	S	S	.	.			trans	79.7	-163.7	177.8	0	0	0	0	0	113.7	K215 P220 E221	K215-G223 VanDerWaalsContact CB-O 3.32Å; K215-G223 WeakPolarHBondContact CB-O 3.19Å; K215-G223 PolarHBondContact N-O 2.91Å; P220-G223 WeakPolarHBondContact O-CA 3.43Å; P220-G223 PolarHBondContact O-N 3.12Å; E221-G223 PolarHBondContact O-N 3.22Å
224	E	95.3	Very high	92.4	Very high	118 Å²	118	52.6 Å²	52.6	55%	0.551	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	169.5	-174.6	-56.4	-170.7	140.9	0	0	112	Q212 V213 K215	Q212-E224 HydrophobicContact CB-CB 4.19Å; Q212-E224 VanDerWaalsContact CB-OE2 3.29Å; Q212-E224 WeakPolarHBondContact CB-OE2 3.07Å; V213-E224 CarbonylContact O-C 3.49Å; V213-E224 VanDerWaalsContact O-CA 3.31Å; V213-E224 WeakPolarHBondContact O-CA 3.48Å; K215-E224 WeakPolarHBondContact CD-O 3.48Å; K215-E224 WeakPolarHBondContact CE-O 3.2Å; K215-E224 PolarHBondContact NZ-O 3.4Å
225	R	93.9	Very high	92.5	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.011	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	147.2	174.3	56.7	178.4	-170.8	83	-20	110.3	R189 Q212 V213 K215 E341 A343	R189-R225 PolarHBondContact O-NE 2.99Å; R189-R225 PolarHBondContact O-NH2 2.84Å; R189-R225 VanDerWaalsContact O-NH2 3.09Å; Q212-R225 PolarHBondContact OE1-O 3.44Å; V213-R225 PolarHBondContact N-O 2.97Å; V213-R225 PolarHBondContact O-N 2.7Å; K215-R225 HydrophobicContact CG-CB 3.95Å; K215-R225 HydrophobicContact CG-CG 3.83Å; R225-E341 IonicContact CZ-OE1 3.88Å; R225-E341 IonicContact CZ-OE2 3.72Å; R225-E341 IonicContact NE-OE1 2.9Å; R225-E341 IonicContact NH1-OE1 2.61Å; R225-E341 PolarHBondContact NH1-OE1 2.71Å; R225-E341 IonicContact NH1-OE2 2.71Å; R225-E341 PolarHBondContact NH1-OE2 3.17Å; R225-E341 VanDerWaalsContact NH2-CD 3.29Å; R225-E341 IonicContact NH2-OE1 3.47Å; R225-E341 PolarHBondContact NH2-OE1 3.27Å; R225-E341 IonicContact NH2-OE2 3.68Å; R225-E341 PolarHBondContact NH2-OE2 3.32Å; R225-A343 HydrophobicContact CB-CB 3.97Å
226	P	91.9	Very high	92.6	Very high	39 Å²	39	47.9 Å²	47.9	25%	0.253	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.7	174.7	28	-34	0	0	0	110.5	R210 K211	R210-P226 HydrophobicContact CG-CB 4.31Å; K211-P226 CarbonylContact O-C 3.55Å; K211-P226 WeakPolarHBondContact O-CA 3.06Å
227	M	91	Very high	92.7	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.4	168	-178	166.1	-82.1	0	0	108.1	I191 R210 K211 V213 Y229 N253 W292	I191-M227 HydrophobicContact CD1-CE 3.72Å; I191-M227 HydrophobicContact CG1-CE 4.48Å; R210-M227 WeakPolarHBondContact CA-O 3.46Å; K211-M227 PolarHBondContact N-O 2.9Å; K211-M227 PolarHBondContact O-N 3.47Å; V213-M227 HydrophobicContact CG2-CB 3.79Å; V213-M227 HydrophobicContact CG2-SD 4.28Å; M227-Y229 HydrophobicContact CB-CE2 3.9Å; M227-Y229 HydrophobicContact CG-CE1 4.22Å; M227-Y229 HydrophobicContact CG-CE2 3.88Å; M227-Y229 WeakPolarHBondContact O-CD2 3.29Å; M227-Y229 VanDerWaalsContact O-CE2 3.31Å; M227-Y229 WeakPolarHBondContact O-CE2 3.41Å; M227-Y229 HydrophobicContact SD-CE1 4.12Å; M227-Y229 PolarHBondContact SD-OH 2.9Å; M227-N253 HydrophobicContact CE-CB 4.04Å; M227-N253 HydrophobicContact SD-CB 3.8Å; M227-W292 HydrophobicContact CG-CH2 4.03Å; M227-W292 HydrophobicContact CG-CZ2 4.18Å; M227-W292 HydrophobicContact SD-CH2 4.03Å; M227-W292 HydrophobicContact SD-CZ2 3.55Å; M227-W292 VanDerWaalsContact SD-CZ2 3.55Å
228	L	91.3	Very high	93	Very high	41 Å²	41	48.2 Å²	48.2	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.9	175.6	-72.1	167.3	0	0	0	109.4	R210 W292 A294 D298	R210-L228 HydrophobicContact CB-CD2 3.98Å; R210-L228 HydrophobicContact CG-CD2 3.96Å; L228-W292 VanDerWaalsContact O-CH2 3.23Å; L228-W292 WeakPolarHBondContact O-CH2 3.35Å; L228-W292 WeakPolarHBondContact O-CZ3 3.39Å; L228-A294 HydrophobicContact CB-CB 4.14Å; L228-A294 WeakPolarHBondContact O-CB 3.31Å; L228-D298 HydrophobicContact CD1-CB 4.29Å; L228-D298 VanDerWaalsContact CD1-O 3.3Å; L228-D298 WeakPolarHBondContact CD1-O 3.38Å
229	Y	91	Very high	93.3	Very high	10 Å²	10	39.4 Å²	39.4	4%	0.039	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.8	178.9	-57.8	-90.2	0	0	0	107.7	H208 E209 K211 V213 M227 N253 W254 W292	H208-Y229 WeakPolarHBondContact CA-O 3.46Å; E209-Y229 PolarHBondContact N-O 2.98Å; E209-Y229 VanDerWaalsContact N-O 3.07Å; E209-Y229 WeakPolarHBondContact O-CD2 3.37Å; E209-Y229 PolarHBondContact O-N 3.21Å; K211-Y229 HydrophobicContact CB-CD2 4.45Å; K211-Y229 HydrophobicContact CB-CE2 3.65Å; K211-Y229 HydrophobicContact CD-CE2 4.04Å; K211-Y229 HydrophobicContact CG-CD2 4.22Å; K211-Y229 HydrophobicContact CG-CE2 3.79Å; V213-Y229 WeakPolarHBondContact CG2-OH 3.36Å; M227-Y229 HydrophobicContact CB-CE2 3.9Å; M227-Y229 HydrophobicContact CG-CE1 4.22Å; M227-Y229 HydrophobicContact CG-CE2 3.88Å; M227-Y229 WeakPolarHBondContact O-CD2 3.29Å; M227-Y229 VanDerWaalsContact O-CE2 3.31Å; M227-Y229 WeakPolarHBondContact O-CE2 3.41Å; M227-Y229 HydrophobicContact SD-CE1 4.12Å; M227-Y229 PolarHBondContact SD-OH 2.9Å; Y229-N253 PolarHBondContact OH-O 2.92Å; Y229-W254 HydrophobicContact CD1-CB 4.33Å; Y229-W254 AromaticContact CD1-CD1 3.93Å; Y229-W254 AromaticContact CD1-CD2 3.4Å; Y229-W254 HydrophobicContact CD1-CD2 3.4Å; Y229-W254 VanDerWaalsContact CD1-CD2 3.4Å; Y229-W254 AromaticContact CD1-CE2 3.52Å; Y229-W254 AromaticContact CD1-CE3 3.72Å; Y229-W254 HydrophobicContact CD1-CE3 3.72Å; Y229-W254 AromaticContact CD1-CG 3.68Å; Y229-W254 HydrophobicContact CD1-CG 3.68Å; Y229-W254 HydrophobicContact CD1-CH2 4.2Å; Y229-W254 AromaticContact CD1-CZ2 3.95Å; Y229-W254 HydrophobicContact CD1-CZ2 3.95Å; Y229-W254 HydrophobicContact CD1-CZ3 4.09Å; Y229-W254 AromaticContact CD1-NE1 3.86Å; Y229-W254 HydrophobicContact CE1-CB 3.84Å; Y229-W254 AromaticContact CE1-CD1 3.94Å; Y229-W254 AromaticContact CE1-CD2 3.87Å; Y229-W254 HydrophobicContact CE1-CD2 3.87Å; Y229-W254 HydrophobicContact CE1-CE3 4.32Å; Y229-W254 AromaticContact CE1-CG 3.63Å; Y229-W254 HydrophobicContact CE1-CG 3.63Å; Y229-W254 HydrophobicContact CG-CZ2 4.42Å; Y229-W292 AromaticContact CD1-CH2 3.46Å; Y229-W292 HydrophobicContact CD1-CH2 3.46Å; Y229-W292 VanDerWaalsContact CD1-CH2 3.46Å; Y229-W292 AromaticContact CD1-CZ2 3.92Å; Y229-W292 HydrophobicContact CD1-CZ2 3.92Å; Y229-W292 AromaticContact CE1-CH2 3.68Å; Y229-W292 HydrophobicContact CE1-CH2 3.68Å; Y229-W292 AromaticContact CE1-CZ2 3.7Å; Y229-W292 HydrophobicContact CE1-CZ2 3.7Å; Y229-W292 HydrophobicContact CG-CH2 4.21Å
230	G	90.9	Very high	93.5	Very high	1 Å²	1	38 Å²	38	1%	0.01	21%	0.208	C	C	.	.			trans	-167.8	166.7	-177.3	0	0	0	0	0	112.7	Q207 K232 W254	Q207-G230 WeakPolarHBondContact O-CA 3.45Å; G230-K232 PolarHBondContact O-N 3.47Å; G230-K232 VanDerWaalsContact O-N 3.16Å; G230-W254 WeakPolarHBondContact O-CH2 3.48Å
231	P	92.7	Very high	93.7	Very high	33 Å²	33	35.2 Å²	35.2	21%	0.214	19%	0.187	C	C	.	.	S	Bend	trans	-68.3	-13.1	-175.1	29.3	-37.2	0	0	0	113.5	F202 I203 H208	F202-P231 CarbonylContact C-O 3.6Å; F202-P231 WeakPolarHBondContact CA-O 3.15Å; I203-P231 PolarHBondContact N-O 3.11Å; H208-P231 WeakPolarHBondContact CE1-CD 3.45Å; H208-P231 VanDerWaalsContact CE1-CG 3.47Å; H208-P231 WeakPolarHBondContact CE1-CG 3.28Å; H208-P231 VanDerWaalsContact NE2-CD 3.29Å; H208-P231 WeakPolarHBondContact NE2-CD 3.03Å
232	K	94.2	Very high	93.8	Very high	71 Å²	71	31.1 Å²	31.1	31%	0.309	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.6	176	-165.9	-176.3	-174.4	-161.7	0	109.9	F202 G230 E295	F202-K232 HydrophobicContact CD1-CB 4.38Å; F202-K232 HydrophobicContact CD1-CG 4.06Å; F202-K232 HydrophobicContact CE1-CB 4.44Å; F202-K232 HydrophobicContact CE1-CD 3.81Å; F202-K232 HydrophobicContact CE1-CG 3.79Å; F202-K232 HydrophobicContact CZ-CD 4.32Å; F202-K232 HydrophobicContact CZ-CG 4.42Å; G230-K232 PolarHBondContact O-N 3.47Å; G230-K232 VanDerWaalsContact O-N 3.16Å; K232-E295 HydrophobicContact CD-CB 4.47Å; K232-E295 VanDerWaalsContact CD-OE2 3.26Å; K232-E295 WeakPolarHBondContact CD-OE2 3.39Å; K232-E295 WeakPolarHBondContact CE-OE2 3.22Å; K232-E295 IonicContact NZ-OE2 3.5Å; K232-E295 PolarHBondContact NZ-OE2 3.48Å; K232-E295 PolarHBondContact O-N 3.39Å
233	V	95.1	Very high	93.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.1	173.5	-53.2	0	0	0	0	111.2	P200 L201 I203 W254 W292 L293	P200-V233 WeakPolarHBondContact CA-O 3.2Å; L201-V233 HydrophobicContact CB-CG2 3.81Å; L201-V233 HydrophobicContact CD2-CG2 3.92Å; L201-V233 HydrophobicContact CG-CG2 4.36Å; L201-V233 PolarHBondContact N-O 2.81Å; L201-V233 PolarHBondContact O-N 2.81Å; I203-V233 HydrophobicContact CD1-CG1 4.41Å; V233-W254 HydrophobicContact CG1-CZ3 3.8Å; V233-W292 HydrophobicContact CB-CB 4.49Å; V233-W292 HydrophobicContact CB-CE3 3.95Å; V233-W292 HydrophobicContact CG1-CD2 4.47Å; V233-W292 HydrophobicContact CG1-CE3 3.5Å; V233-W292 VanDerWaalsContact CG1-CE3 3.5Å; V233-W292 HydrophobicContact CG1-CZ3 3.87Å; V233-W292 HydrophobicContact CG2-CB 4.39Å; V233-L293 CarbonylContact C-O 3.54Å; V233-L293 WeakPolarHBondContact CA-O 3.27Å; V233-L293 WeakPolarHBondContact CB-O 3.4Å
234	L	96.6	Very high	93.9	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.058	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.2	174.1	-58.9	173.1	0	0	0	109.3	L193 L198 W292 L293 E295 M301	L193-L234 HydrophobicContact CD1-CB 4.16Å; L193-L234 WeakPolarHBondContact CD1-O 3.35Å; L198-L234 HydrophobicContact CD1-CD1 4.18Å; L234-W292 VanDerWaalsContact O-CA 3.24Å; L234-W292 WeakPolarHBondContact O-CA 3.35Å; L234-L293 PolarHBondContact N-O 3.4Å; L234-L293 PolarHBondContact O-N 3.46Å; L234-L293 VanDerWaalsContact O-N 3.11Å; L234-E295 HydrophobicContact CD1-CB 4.25Å; L234-E295 HydrophobicContact CD1-CG 4.43Å; L234-E295 HydrophobicContact CG-CB 4.11Å; L234-M301 HydrophobicContact CD1-CE 4.14Å; L234-M301 HydrophobicContact CD1-SD 4.34Å
235	I	96.9	Very high	93.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.6	170.8	58.7	169.7	0	0	0	109.8	V199 L201 A240 L243 W292	V199-I235 HydrophobicContact CB-CG1 4.15Å; V199-I235 PolarHBondContact N-O 2.76Å; V199-I235 WeakPolarHBondContact O-CG1 3.44Å; V199-I235 PolarHBondContact O-N 3.23Å; L201-I235 HydrophobicContact CB-CD1 4.44Å; L201-I235 HydrophobicContact CD1-CD1 4.08Å; I235-A240 HydrophobicContact CD1-CB 3.7Å; I235-A240 HydrophobicContact CG1-CB 4.17Å; I235-L243 HydrophobicContact CD1-CD1 3.77Å; I235-W292 HydrophobicContact CG2-CB 3.97Å
236	E	95.8	Very high	93.8	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.023	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	144.1	179.5	-58.3	-173.4	100.9	0	0	111.6	L193 C194 L198 V238 D239 A240 K358	L193-E236 HydrophobicContact CB-CG 3.89Å; L193-E236 HydrophobicContact CD2-CG 4.1Å; L193-E236 HydrophobicContact CG-CG 4.47Å; C194-E236 WeakPolarHBondContact CB-OE1 3.42Å; C194-E236 PolarHBondContact N-OE1 3.34Å; C194-E236 PolarHBondContact SG-OE1 2.93Å; L198-E236 HydrophobicContact CD2-CG 4.42Å; E236-V238 PolarHBondContact O-N 3.41Å; E236-D239 PolarHBondContact O-N 2.91Å; E236-A240 PolarHBondContact O-N 3.4Å; E236-K358 WeakPolarHBondContact OE1-CE 3.26Å; E236-K358 IonicContact OE1-NZ 3.55Å; E236-K358 PolarHBondContact OE1-NZ 3.4Å; E236-K358 WeakPolarHBondContact OE2-CE 3.35Å; E236-K358 IonicContact OE2-NZ 3.11Å; E236-K358 PolarHBondContact OE2-NZ 3.34Å
237	Q	95.4	Very high	93.9	Very high	30 Å²	30	36.5 Å²	36.5	14%	0.14	21%	0.206	C	C	.	.	H	α-helix	trans	-48.6	-37.9	178.7	-166.1	68.6	64.4	0	0	113.8	N197 A240 N241 V270	N197-Q237 HydrophobicContact CB-CB 4.02Å; N197-Q237 HydrophobicContact CB-CG 4.4Å; N197-Q237 WeakPolarHBondContact O-CB 3.25Å; N197-Q237 PolarHBondContact O-N 2.65Å; Q237-A240 PolarHBondContact O-N 3.02Å; Q237-N241 PolarHBondContact NE2-OD1 3.23Å; Q237-N241 WeakPolarHBondContact O-CB 3.32Å; Q237-N241 PolarHBondContact O-N 3.04Å; Q237-N241 PolarHBondContact O-OD1 2.98Å; Q237-V270 VanDerWaalsContact NE2-N 3.14Å; Q237-V270 PolarHBondContact NE2-O 3.11Å; Q237-V270 PolarHBondContact OE1-O 2.7Å
238	V	93.9	Very high	94.1	Very high	68 Å²	68	38.6 Å²	38.6	41%	0.412	22%	0.22	S	C	.	.	H	α-helix	trans	-66.4	-38.6	-177.5	-161.4	0	0	0	0	111.5	E236 T395	E236-V238 PolarHBondContact O-N 3.41Å; V238-T395 HydrophobicContact CB-CG2 4.2Å; V238-T395 HydrophobicContact CG1-CG2 3.9Å
239	D	94.4	Very high	94.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-77.5	-38.6	175.2	-77.9	-12.6	0	0	0	110.5	E236 N241 L242 F290 R357	E236-D239 PolarHBondContact O-N 2.91Å; D239-N241 PolarHBondContact O-N 3.39Å; D239-L242 PolarHBondContact O-N 3Å; D239-F290 HydrophobicContact CB-CB 4.37Å; D239-F290 HydrophobicContact CB-CD1 3.5Å; D239-F290 VanDerWaalsContact CB-CD1 3.5Å; D239-F290 HydrophobicContact CB-CD2 4.43Å; D239-F290 HydrophobicContact CB-CE1 3.73Å; D239-F290 HydrophobicContact CB-CG 3.86Å; D239-F290 HydrophobicContact CB-CZ 4.31Å; D239-F290 WeakPolarHBondContact OD1-CD1 3.45Å; D239-F290 WeakPolarHBondContact OD1-CE1 3.36Å; D239-F290 WeakPolarHBondContact OD2-CD1 3.39Å; D239-R357 IonicContact OD1-CZ 3.84Å; D239-R357 IonicContact OD1-NE 2.96Å; D239-R357 IonicContact OD1-NH2 2.77Å; D239-R357 PolarHBondContact OD1-NH2 3.16Å; D239-R357 IonicContact OD2-CZ 3.47Å; D239-R357 IonicContact OD2-NE 3.01Å; D239-R357 PolarHBondContact OD2-NE 3.09Å; D239-R357 VanDerWaalsContact OD2-NE 3.17Å; D239-R357 IonicContact OD2-NH2 3.73Å; D239-R357 PolarHBondContact OD2-NH2 2.99Å
240	A	95.2	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-39.7	177	0	0	0	0	0	113.1	V199 I235 E236 Q237 L242 L243 V270	V199-A240 HydrophobicContact CB-CB 3.89Å; V199-A240 HydrophobicContact CG1-CB 4.01Å; V199-A240 HydrophobicContact CG2-CB 3.75Å; I235-A240 HydrophobicContact CD1-CB 3.7Å; I235-A240 HydrophobicContact CG1-CB 4.17Å; E236-A240 PolarHBondContact O-N 3.4Å; Q237-A240 PolarHBondContact O-N 3.02Å; A240-L242 PolarHBondContact O-N 3.44Å; A240-L243 VanDerWaalsContact O-CB 3.27Å; A240-L243 WeakPolarHBondContact O-CB 3.26Å; A240-L243 WeakPolarHBondContact O-CG 3.46Å; A240-L243 PolarHBondContact O-N 2.9Å; A240-V270 HydrophobicContact CB-CB 4.17Å; A240-V270 HydrophobicContact CB-CG1 4.28Å
241	N	94	Very high	94.7	Very high	56 Å²	56	36.7 Å²	36.7	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.2	-178.6	-77.4	-8.2	0	0	0	113.3	Q237 D239 L243 R264 V270	Q237-N241 PolarHBondContact NE2-OD1 3.23Å; Q237-N241 WeakPolarHBondContact O-CB 3.32Å; Q237-N241 PolarHBondContact O-N 3.04Å; Q237-N241 PolarHBondContact O-OD1 2.98Å; D239-N241 PolarHBondContact O-N 3.39Å; N241-L243 VanDerWaalsContact C-N 3.28Å; N241-L243 PolarHBondContact O-N 3.5Å; N241-R264 PolarHBondContact O-NH2 3.46Å; N241-R264 VanDerWaalsContact O-NH2 3.11Å; N241-V270 PolarHBondContact OD1-N 3.37Å
242	L	94.1	Very high	94.7	Very high	98 Å²	98	36.1 Å²	36.1	51%	0.513	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.6	175.5	-59.3	172.5	0	0	0	113.7	D239 A240 L288 F290	D239-L242 PolarHBondContact O-N 3Å; A240-L242 PolarHBondContact O-N 3.44Å; L242-L288 HydrophobicContact CB-CD1 4.31Å; L242-F290 HydrophobicContact CB-CZ 4.34Å; L242-F290 HydrophobicContact CD1-CE1 4.24Å; L242-F290 HydrophobicContact CD1-CZ 4.34Å
243	L	94.3	Very high	94.5	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	21%	0.208	C	C	.	.			trans	-87.5	138.4	-176.8	-60.1	175.3	0	0	0	112.5	I235 A240 N241 V249 I259 V262 R264 V273 F290	I235-L243 HydrophobicContact CD1-CD1 3.77Å; A240-L243 VanDerWaalsContact O-CB 3.27Å; A240-L243 WeakPolarHBondContact O-CB 3.26Å; A240-L243 WeakPolarHBondContact O-CG 3.46Å; A240-L243 PolarHBondContact O-N 2.9Å; N241-L243 VanDerWaalsContact C-N 3.28Å; N241-L243 PolarHBondContact O-N 3.5Å; L243-V249 HydrophobicContact CD2-CG1 4.5Å; L243-V249 HydrophobicContact CD2-CG2 3.75Å; L243-I259 HydrophobicContact CD1-CD1 4.4Å; L243-I259 HydrophobicContact CD2-CD1 4.03Å; L243-I259 HydrophobicContact CD2-CG1 4.12Å; L243-V262 HydrophobicContact CB-CG2 4.08Å; L243-R264 PolarHBondContact O-NH2 3.05Å; L243-V273 HydrophobicContact CD1-CB 4.41Å; L243-V273 HydrophobicContact CD1-CG1 3.94Å; L243-V273 HydrophobicContact CD1-CG2 3.66Å; L243-F290 HydrophobicContact CD2-CD2 4.34Å; L243-F290 HydrophobicContact CD2-CE2 3.6Å; L243-F290 HydrophobicContact CD2-CZ 4.45Å
244	E	93.6	Very high	94.4	Very high	144 Å²	144	37.2 Å²	37.2	67%	0.673	21%	0.213	S	C	*	.			trans	-130.8	149.4	177.2	-63.4	-176.9	173.6	0	0	110.3	G246 A247 I259	E244-G246 PolarHBondContact O-N 2.95Å; E244-A247 HydrophobicContact CB-CB 4.47Å; E244-A247 WeakPolarHBondContact O-CB 3.28Å; E244-A247 PolarHBondContact O-N 2.93Å; E244-A247 VanDerWaalsContact O-N 3.14Å; E244-I259 WeakPolarHBondContact O-CB 3.41Å
245	N	94.2	Very high	94.2	Very high	99 Å²	99	36.9 Å²	36.9	53%	0.529	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	131.5	178.8	-71	-5.3	0	0	0	110.8	A247 D261 V262	N245-A247 VanDerWaalsContact C-N 3.31Å; N245-D261 VanDerWaalsContact OD1-C 3.3Å; N245-D261 VanDerWaalsContact OD1-CA 3.29Å; N245-D261 WeakPolarHBondContact OD1-CA 3.32Å; N245-V262 WeakPolarHBondContact OD1-CG2 3.48Å; N245-V262 PolarHBondContact OD1-N 3.46Å
246	G	93.4	Very high	94.1	Very high	54 Å²	54	36.8 Å²	36.8	56%	0.557	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	-9.2	-175.6	0	0	0	0	0	115	E244 I259	E244-G246 PolarHBondContact O-N 2.95Å; G246-I259 WeakPolarHBondContact CA-O 3.44Å; G246-I259 PolarHBondContact N-O 3.44Å
247	A	93.8	Very high	94.1	Very high	33 Å²	33	36.6 Å²	36.6	27%	0.273	21%	0.211	S	C	.	.			trans	-64	143.7	178.4	0	0	0	0	0	112	E244 N245 V258 I259	E244-A247 HydrophobicContact CB-CB 4.47Å; E244-A247 WeakPolarHBondContact O-CB 3.28Å; E244-A247 PolarHBondContact O-N 2.93Å; E244-A247 VanDerWaalsContact O-N 3.14Å; N245-A247 VanDerWaalsContact C-N 3.31Å; A247-V258 WeakPolarHBondContact O-CA 3.41Å; A247-I259 HydrophobicContact CB-CG1 4.4Å; A247-I259 PolarHBondContact O-N 2.84Å
248	T	94.9	Very high	94.1	Very high	52 Å²	52	36 Å²	36	32%	0.319	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.9	170.7	-59.3	0	0	0	0	110.1	N256 I257 T287	T248-N256 HydrophobicContact CG2-CB 4.14Å; T248-I257 WeakPolarHBondContact CA-O 3.3Å; T248-T287 HydrophobicContact CG2-CG2 3.98Å
249	V	95.2	Very high	94.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.2	-170.4	169.5	0	0	0	0	109.1	L243 N256 I257 I259 F290	L243-V249 HydrophobicContact CD2-CG1 4.5Å; L243-V249 HydrophobicContact CD2-CG2 3.75Å; V249-N256 CarbonylContact O-C 3.57Å; V249-N256 WeakPolarHBondContact O-CA 3.23Å; V249-I257 HydrophobicContact CB-CD1 4.46Å; V249-I257 HydrophobicContact CB-CG1 3.98Å; V249-I257 HydrophobicContact CG1-CD1 4.43Å; V249-I257 HydrophobicContact CG1-CG1 4.31Å; V249-I257 PolarHBondContact N-O 3.27Å; V249-I257 WeakPolarHBondContact O-CG1 3.37Å; V249-I257 PolarHBondContact O-N 2.88Å; V249-I259 HydrophobicContact CG2-CD1 4.4Å; V249-I259 HydrophobicContact CG2-CG1 4.19Å; V249-F290 HydrophobicContact CG1-CD2 3.31Å; V249-F290 HydrophobicContact CG1-CE2 3.51Å; V249-F290 HydrophobicContact CG1-CG 4.4Å; V249-F290 HydrophobicContact CG2-CE2 4.21Å
250	T	95.8	Very high	94.3	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.1	174.7	-50.2	0	0	0	0	110.6	G255 N256 Y284 T287 L288 K289 F290	T250-G255 CarbonylContact C-O 3.58Å; T250-G255 WeakPolarHBondContact CA-O 3.4Å; T250-N256 WeakPolarHBondContact CA-OD1 3.37Å; T250-N256 WeakPolarHBondContact CB-OD1 3.27Å; T250-N256 PolarHBondContact OG1-OD1 3.19Å; T250-Y284 HydrophobicContact CG2-CD1 3.67Å; T250-Y284 HydrophobicContact CG2-CE1 4.11Å; T250-Y284 HydrophobicContact CG2-CG 4.35Å; T250-T287 VanDerWaalsContact OG1-CB 3.28Å; T250-T287 WeakPolarHBondContact OG1-CB 3.35Å; T250-T287 PolarHBondContact OG1-OG1 3.25Å; T250-L288 PolarHBondContact N-O 3.48Å; T250-K289 WeakPolarHBondContact O-CA 3.47Å; T250-F290 PolarHBondContact O-N 2.96Å
251	L	94.5	Very high	94.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	120	163.2	-68	-174	0	0	0	108.7	I203 N253 W254 G255 I257 W292	I203-L251 HydrophobicContact CD1-CD1 4.03Å; L251-N253 PolarHBondContact O-N 3.29Å; L251-W254 HydrophobicContact CB-CB 3.91Å; L251-W254 HydrophobicContact CD1-CD2 4.33Å; L251-W254 HydrophobicContact CD1-CE3 3.68Å; L251-W254 HydrophobicContact CD1-CZ3 4.26Å; L251-W254 PolarHBondContact O-N 2.94Å; L251-G255 PolarHBondContact N-O 2.88Å; L251-G255 PolarHBondContact O-N 3.49Å; L251-G255 VanDerWaalsContact O-N 3.09Å; L251-I257 HydrophobicContact CD1-CD1 4.13Å; L251-I257 HydrophobicContact CD1-CG2 3.95Å; L251-I257 HydrophobicContact CD2-CD1 4.12Å; L251-I257 HydrophobicContact CG-CD1 3.94Å; L251-I257 HydrophobicContact CG-CG1 4.26Å; L251-I257 HydrophobicContact CG-CG2 4.24Å; L251-W292 HydrophobicContact CB-CG 4.4Å; L251-W292 HydrophobicContact CD1-CG 4.48Å; L251-W292 HydrophobicContact CD2-CB 4.23Å; L251-W292 HydrophobicContact CD2-CG 4.11Å
252	V	93.2	Very high	94.5	Very high	20 Å²	20	36.5 Å²	36.5	12%	0.121	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	129.7	-178.2	167.7	0	0	0	0	110	W254 K289 F290 W292	V252-W254 PolarHBondContact O-N 3.43Å; V252-K289 HydrophobicContact CG2-CB 4.39Å; V252-F290 WeakPolarHBondContact CB-O 3.3Å; V252-F290 VanDerWaalsContact CG2-O 3.3Å; V252-F290 WeakPolarHBondContact CG2-O 3.47Å; V252-F290 PolarHBondContact N-O 3.2Å; V252-W292 PolarHBondContact O-NE1 3Å
253	N	91	Very high	94.6	Very high	65 Å²	65	34.6 Å²	34.6	35%	0.348	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	16.6	-176.9	-58	-14.3	0	0	0	115.9	V213 M227 Y229 L251	V213-N253 HydrophobicContact CG1-CB 3.85Å; M227-N253 HydrophobicContact CE-CB 4.04Å; M227-N253 HydrophobicContact SD-CB 3.8Å; Y229-N253 PolarHBondContact OH-O 2.92Å; L251-N253 PolarHBondContact O-N 3.29Å
254	W	91.6	Very high	94.6	Very high	30 Å²	30	39.7 Å²	39.7	11%	0.114	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-60.1	168.7	-164.6	-14.5	0	0	0	111.6	I203 Y229 G230 V233 L251 V252 L277 W292	I203-W254 HydrophobicContact CD1-CE3 4.16Å; I203-W254 HydrophobicContact CD1-CH2 3.43Å; I203-W254 VanDerWaalsContact CD1-CH2 3.43Å; I203-W254 HydrophobicContact CD1-CZ2 4.11Å; I203-W254 HydrophobicContact CD1-CZ3 3.47Å; I203-W254 VanDerWaalsContact CD1-CZ3 3.47Å; Y229-W254 HydrophobicContact CD1-CB 4.33Å; Y229-W254 AromaticContact CD1-CD1 3.93Å; Y229-W254 AromaticContact CD1-CD2 3.4Å; Y229-W254 HydrophobicContact CD1-CD2 3.4Å; Y229-W254 VanDerWaalsContact CD1-CD2 3.4Å; Y229-W254 AromaticContact CD1-CE2 3.52Å; Y229-W254 AromaticContact CD1-CE3 3.72Å; Y229-W254 HydrophobicContact CD1-CE3 3.72Å; Y229-W254 AromaticContact CD1-CG 3.68Å; Y229-W254 HydrophobicContact CD1-CG 3.68Å; Y229-W254 HydrophobicContact CD1-CH2 4.2Å; Y229-W254 AromaticContact CD1-CZ2 3.95Å; Y229-W254 HydrophobicContact CD1-CZ2 3.95Å; Y229-W254 HydrophobicContact CD1-CZ3 4.09Å; Y229-W254 AromaticContact CD1-NE1 3.86Å; Y229-W254 HydrophobicContact CE1-CB 3.84Å; Y229-W254 AromaticContact CE1-CD1 3.94Å; Y229-W254 AromaticContact CE1-CD2 3.87Å; Y229-W254 HydrophobicContact CE1-CD2 3.87Å; Y229-W254 HydrophobicContact CE1-CE3 4.32Å; Y229-W254 AromaticContact CE1-CG 3.63Å; Y229-W254 HydrophobicContact CE1-CG 3.63Å; Y229-W254 HydrophobicContact CG-CZ2 4.42Å; G230-W254 WeakPolarHBondContact O-CH2 3.48Å; V233-W254 HydrophobicContact CG1-CZ3 3.8Å; L251-W254 HydrophobicContact CB-CB 3.91Å; L251-W254 HydrophobicContact CD1-CD2 4.33Å; L251-W254 HydrophobicContact CD1-CE3 3.68Å; L251-W254 HydrophobicContact CD1-CZ3 4.26Å; L251-W254 PolarHBondContact O-N 2.94Å; V252-W254 PolarHBondContact O-N 3.43Å; W254-L277 HydrophobicContact CD2-CD2 4.42Å; W254-L277 HydrophobicContact CZ2-CD1 4.27Å; W254-L277 HydrophobicContact CZ2-CD2 4.01Å; W254-W292 HydrophobicContact CB-CZ2 3.92Å; W254-W292 HydrophobicContact CD2-CH2 4.27Å; W254-W292 HydrophobicContact CD2-CZ2 4.17Å; W254-W292 HydrophobicContact CE3-CD2 4.16Å; W254-W292 AromaticContact CE3-CE2 3.85Å; W254-W292 HydrophobicContact CE3-CE3 4.11Å; W254-W292 AromaticContact CE3-CH2 3.45Å; W254-W292 HydrophobicContact CE3-CH2 3.45Å; W254-W292 VanDerWaalsContact CE3-CH2 3.45Å; W254-W292 AromaticContact CE3-CZ2 3.51Å; W254-W292 HydrophobicContact CE3-CZ2 3.51Å; W254-W292 AromaticContact CE3-CZ3 3.75Å; W254-W292 HydrophobicContact CE3-CZ3 3.75Å; W254-W292 HydrophobicContact CG-CZ2 4.38Å; W254-W292 HydrophobicContact CZ3-CE3 4.11Å; W254-W292 AromaticContact CZ3-CH2 3.76Å; W254-W292 HydrophobicContact CZ3-CH2 3.76Å; W254-W292 HydrophobicContact CZ3-CZ2 4.28Å; W254-W292 AromaticContact CZ3-CZ3 3.66Å; W254-W292 HydrophobicContact CZ3-CZ3 3.66Å
255	G	93	Very high	94.6	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.7	-163.9	-174.4	0	0	0	0	0	112.5	T250 L251	T250-G255 CarbonylContact C-O 3.58Å; T250-G255 WeakPolarHBondContact CA-O 3.4Å; L251-G255 PolarHBondContact N-O 2.88Å; L251-G255 PolarHBondContact O-N 3.49Å; L251-G255 VanDerWaalsContact O-N 3.09Å
256	N	95.2	Very high	94.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.3	-179.8	-80.4	-25	0	0	0	112.3	T248 V249 T250 N278 N281 N283	T248-N256 HydrophobicContact CG2-CB 4.14Å; V249-N256 CarbonylContact O-C 3.57Å; V249-N256 WeakPolarHBondContact O-CA 3.23Å; T250-N256 WeakPolarHBondContact CA-OD1 3.37Å; T250-N256 WeakPolarHBondContact CB-OD1 3.27Å; T250-N256 PolarHBondContact OG1-OD1 3.19Å; N256-N278 CarbonylContact O-C 3.46Å; N256-N278 WeakPolarHBondContact O-CA 3.37Å; N256-N278 PolarHBondContact O-N 3.18Å; N256-N281 PolarHBondContact ND2-O 3.48Å; N256-N283 PolarHBondContact ND2-O 3.45Å
257	I	95.1	Very high	94.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	154.5	168.5	59.7	168.9	0	0	0	109.6	L201 T248 V249 L251 I259 A275 R276 L277	L201-I257 HydrophobicContact CD1-CD1 3.82Å; L201-I257 HydrophobicContact CD2-CD1 4.25Å; T248-I257 WeakPolarHBondContact CA-O 3.3Å; V249-I257 HydrophobicContact CB-CD1 4.46Å; V249-I257 HydrophobicContact CB-CG1 3.98Å; V249-I257 HydrophobicContact CG1-CD1 4.43Å; V249-I257 HydrophobicContact CG1-CG1 4.31Å; V249-I257 PolarHBondContact N-O 3.27Å; V249-I257 WeakPolarHBondContact O-CG1 3.37Å; V249-I257 PolarHBondContact O-N 2.88Å; L251-I257 HydrophobicContact CD1-CD1 4.13Å; L251-I257 HydrophobicContact CD1-CG2 3.95Å; L251-I257 HydrophobicContact CD2-CD1 4.12Å; L251-I257 HydrophobicContact CG-CD1 3.94Å; L251-I257 HydrophobicContact CG-CG1 4.26Å; L251-I257 HydrophobicContact CG-CG2 4.24Å; I257-I259 HydrophobicContact CD1-CD1 3.86Å; I257-I259 HydrophobicContact CG1-CD1 4.38Å; I257-A275 HydrophobicContact CB-CB 4.24Å; I257-A275 HydrophobicContact CD1-CB 3.97Å; I257-R276 CarbonylContact C-O 3.53Å; I257-R276 VanDerWaalsContact CA-O 3.31Å; I257-R276 WeakPolarHBondContact CA-O 3.15Å; I257-L277 HydrophobicContact CG2-CD2 3.99Å
258	V	95.2	Very high	94	Very high	16 Å²	16	41.5 Å²	41.5	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.9	169.5	179.7	0	0	0	0	108.2	A247 T260 A275 R276 N278	A247-V258 WeakPolarHBondContact O-CA 3.41Å; V258-T260 PolarHBondContact O-N 3.19Å; V258-A275 CarbonylContact O-C 3.57Å; V258-A275 VanDerWaalsContact O-CA 3.23Å; V258-A275 WeakPolarHBondContact O-CA 3.24Å; V258-A275 WeakPolarHBondContact O-CB 3.4Å; V258-R276 HydrophobicContact CB-CG 4.1Å; V258-R276 PolarHBondContact N-O 2.86Å; V258-R276 PolarHBondContact O-N 2.67Å; V258-N278 HydrophobicContact CG2-CB 3.98Å
259	I	96.5	Very high	93.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.4	178.1	-52.2	-55	0	0	0	109	L243 E244 G246 A247 V249 I257 V262 V273 A275	L243-I259 HydrophobicContact CD1-CD1 4.4Å; L243-I259 HydrophobicContact CD2-CD1 4.03Å; L243-I259 HydrophobicContact CD2-CG1 4.12Å; E244-I259 WeakPolarHBondContact O-CB 3.41Å; G246-I259 WeakPolarHBondContact CA-O 3.44Å; G246-I259 PolarHBondContact N-O 3.44Å; A247-I259 HydrophobicContact CB-CG1 4.4Å; A247-I259 PolarHBondContact O-N 2.84Å; V249-I259 HydrophobicContact CG2-CD1 4.4Å; V249-I259 HydrophobicContact CG2-CG1 4.19Å; I257-I259 HydrophobicContact CD1-CD1 3.86Å; I257-I259 HydrophobicContact CG1-CD1 4.38Å; I259-V262 HydrophobicContact CG2-CG2 3.5Å; I259-V273 HydrophobicContact CD1-CG1 4.06Å; I259-V273 HydrophobicContact CG2-CG1 4.08Å; I259-A275 HydrophobicContact CD1-CB 4.15Å
260	T	96.2	Very high	93.9	Very high	59 Å²	59	42.5 Å²	42.5	36%	0.362	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-32.4	-179.2	54.1	0	0	0	0	112.5	V258 K274 A275 R276	V258-T260 PolarHBondContact O-N 3.19Å; T260-K274 PolarHBondContact N-O 3.15Å; T260-K274 WeakPolarHBondContact OG1-CB 3.29Å; T260-K274 PolarHBondContact OG1-O 3.44Å; T260-K274 VanDerWaalsContact OG1-O 3.11Å; T260-A275 PolarHBondContact OG1-N 3.46Å; T260-R276 HydrophobicContact CG2-CG 4.18Å
261	D	96.5	Very high	93.9	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	146.7	-179.8	-173.7	37.3	0	0	0	111.2	N245 K274	N245-D261 VanDerWaalsContact OD1-C 3.3Å; N245-D261 VanDerWaalsContact OD1-CA 3.29Å; N245-D261 WeakPolarHBondContact OD1-CA 3.32Å; D261-K274 HydrophobicContact CB-CB 4.07Å; D261-K274 HydrophobicContact CB-CD 4.21Å; D261-K274 HydrophobicContact CB-CG 4.38Å; D261-K274 PolarHBondContact N-O 3.2Å; D261-K274 PolarHBondContact O-N 3.17Å; D261-K274 IonicContact OD2-NZ 3.18Å
262	V	96.9	Very high	94	Very high	22 Å²	22	46.4 Å²	46.4	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	104.7	179.1	179.1	0	0	0	0	108.1	L243 N245 I259 R264 V270 V273	L243-V262 HydrophobicContact CB-CG2 4.08Å; N245-V262 WeakPolarHBondContact OD1-CG2 3.48Å; N245-V262 PolarHBondContact OD1-N 3.46Å; I259-V262 HydrophobicContact CG2-CG2 3.5Å; V262-R264 HydrophobicContact CG1-CG 4.41Å; V262-V270 HydrophobicContact CG1-CB 4.42Å; V262-V270 HydrophobicContact CG1-CG1 3.78Å; V262-V270 HydrophobicContact CG1-CG2 3.71Å; V262-V273 HydrophobicContact CG2-CG1 4.49Å
263	T	96.6	Very high	94.2	Very high	57 Å²	57	45.5 Å²	45.5	35%	0.35	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.6	177.5	-52.4	0	0	0	0	109.8	V270 T271 S272	T263-V270 CarbonylContact O-C 3.6Å; T263-V270 WeakPolarHBondContact O-CA 3.42Å; T263-V270 WeakPolarHBondContact O-CG1 3.33Å; T263-T271 WeakPolarHBondContact CG2-OG1 3.26Å; T263-T271 PolarHBondContact O-N 2.85Å; T263-T271 PolarHBondContact O-OG1 2.54Å; T263-S272 WeakPolarHBondContact CB-OG 3.42Å; T263-S272 PolarHBondContact N-O 3.11Å; T263-S272 PolarHBondContact OG1-OG 3.38Å
264	R	95.2	Very high	94.5	Very high	110 Å²	110	46.6 Å²	46.6	42%	0.415	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.3	179.1	-68	176.6	-178	-97.9	1.7	111.3	N241 L243 V262 G268 N269 V270	N241-R264 PolarHBondContact O-NH2 3.46Å; N241-R264 VanDerWaalsContact O-NH2 3.11Å; L243-R264 PolarHBondContact O-NH2 3.05Å; V262-R264 HydrophobicContact CG1-CG 4.41Å; R264-G268 PolarHBondContact NH1-O 3.42Å; R264-G268 VanDerWaalsContact NH1-O 3.09Å; R264-N269 CarbonylContact C-O 3.58Å; R264-N269 VanDerWaalsContact CA-O 3.25Å; R264-N269 WeakPolarHBondContact CA-O 3.43Å; R264-V270 HydrophobicContact CG-CG2 3.91Å; R264-V270 VanDerWaalsContact CZ-CG2 3.48Å
265	S	92.7	Very high	94.7	Very high	40 Å²	40	45.1 Å²	45.1	28%	0.28	26%	0.257	S	S	.	.			trans	-75.4	172.3	171	75.4	0	0	0	0	111.5	D267 G268 N269	S265-D267 PolarHBondContact O-N 2.89Å; S265-D267 PolarHBondContact OG-N 3.29Å; S265-G268 PolarHBondContact O-N 3.22Å; S265-N269 PolarHBondContact N-O 3.22Å
266	V	91.7	Very high	94.8	Very high	153 Å²	153	51.8 Å²	51.8	93%	0.927	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.5	173.4	-175.3	0	0	0	0	111.6	G268	V266-G268 PolarHBondContact O-N 3.21Å
267	D	88.4	Confident	94.7	Very high	139 Å²	139	53 Å²	53	74%	0.743	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	3.3	177.8	-42.9	-66.9	0	0	0	113.6	S265 N269	S265-D267 PolarHBondContact O-N 2.89Å; S265-D267 PolarHBondContact OG-N 3.29Å; D267-N269 VanDerWaalsContact C-N 3.34Å; D267-N269 PolarHBondContact O-N 3.06Å
268	G	89.1	Confident	94.6	Very high	37 Å²	37	54.9 Å²	54.9	38%	0.381	30%	0.298	S	S	.	.	S	Bend	trans	85.8	-9.1	176.3	0	0	0	0	0	116.2	R264 S265 V266	R264-G268 PolarHBondContact NH1-O 3.42Å; R264-G268 VanDerWaalsContact NH1-O 3.09Å; S265-G268 PolarHBondContact O-N 3.22Å; V266-G268 PolarHBondContact O-N 3.21Å
269	N	92.6	Very high	94.3	Very high	74 Å²	74	57.3 Å²	57.3	40%	0.396	31%	0.31	S	S	.	.			trans	-67.8	137.1	175.8	-73.9	-41.3	0	0	0	111.2	R264 S265 D267 T271	R264-N269 CarbonylContact C-O 3.58Å; R264-N269 VanDerWaalsContact CA-O 3.25Å; R264-N269 WeakPolarHBondContact CA-O 3.43Å; S265-N269 PolarHBondContact N-O 3.22Å; D267-N269 VanDerWaalsContact C-N 3.34Å; D267-N269 PolarHBondContact O-N 3.06Å; N269-T271 PolarHBondContact O-N 2.5Å
270	V	94.9	Very high	94.1	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129	173.4	-179.3	0	0	0	0	110.1	V199 Q237 A240 N241 V262 T263 R264 V273	V199-V270 HydrophobicContact CG1-CG1 3.87Å; V199-V270 WeakPolarHBondContact CG2-O 3.47Å; Q237-V270 VanDerWaalsContact NE2-N 3.14Å; Q237-V270 PolarHBondContact NE2-O 3.11Å; Q237-V270 PolarHBondContact OE1-O 2.7Å; A240-V270 HydrophobicContact CB-CB 4.17Å; A240-V270 HydrophobicContact CB-CG1 4.28Å; N241-V270 PolarHBondContact OD1-N 3.37Å; V262-V270 HydrophobicContact CG1-CB 4.42Å; V262-V270 HydrophobicContact CG1-CG1 3.78Å; V262-V270 HydrophobicContact CG1-CG2 3.71Å; T263-V270 CarbonylContact O-C 3.6Å; T263-V270 WeakPolarHBondContact O-CA 3.42Å; T263-V270 WeakPolarHBondContact O-CG1 3.33Å; R264-V270 HydrophobicContact CG-CG2 3.91Å; R264-V270 VanDerWaalsContact CZ-CG2 3.48Å; V270-V273 HydrophobicContact CG1-CG2 3.67Å
271	T	96.2	Very high	93.8	Very high	68 Å²	68	65.4 Å²	65.4	42%	0.417	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-28.1	-178.7	52.7	0	0	0	0	113.2	P200 T263 N269	P200-T271 WeakPolarHBondContact CD-O 3.47Å; T263-T271 WeakPolarHBondContact CG2-OG1 3.26Å; T263-T271 PolarHBondContact O-N 2.85Å; T263-T271 PolarHBondContact O-OG1 2.54Å; N269-T271 PolarHBondContact O-N 2.5Å
272	S	96.7	Very high	93.5	Very high	24 Å²	24	67.5 Å²	67.5	17%	0.168	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	154.5	169.9	65.1	0	0	0	0	111.2	P200 T263	P200-S272 WeakPolarHBondContact O-CA 3.48Å; T263-S272 WeakPolarHBondContact CB-OG 3.42Å; T263-S272 PolarHBondContact N-O 3.11Å; T263-S272 PolarHBondContact OG1-OG 3.38Å
273	V	97.1	Very high	93.2	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144	178.4	-179.7	0	0	0	0	108.5	V199 P200 L201 F202 L243 I259 V262 V270	V199-V273 HydrophobicContact CG1-CG2 4.19Å; P200-V273 PolarHBondContact O-N 2.71Å; L201-V273 CarbonylContact C-O 3.49Å; L201-V273 WeakPolarHBondContact CA-O 3.24Å; L201-V273 HydrophobicContact CB-CB 4.08Å; L201-V273 HydrophobicContact CD1-CB 4.24Å; L201-V273 HydrophobicContact CD1-CG1 3.85Å; L201-V273 HydrophobicContact CG-CB 3.91Å; L201-V273 HydrophobicContact CG-CG1 3.81Å; F202-V273 PolarHBondContact N-O 3.07Å; L243-V273 HydrophobicContact CD1-CB 4.41Å; L243-V273 HydrophobicContact CD1-CG1 3.94Å; L243-V273 HydrophobicContact CD1-CG2 3.66Å; I259-V273 HydrophobicContact CD1-CG1 4.06Å; I259-V273 HydrophobicContact CG2-CG1 4.08Å; V262-V273 HydrophobicContact CG2-CG1 4.49Å; V270-V273 HydrophobicContact CG1-CG2 3.67Å
274	K	97	Very high	92.8	Very high	88 Å²	88	72.1 Å²	72.1	38%	0.383	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.9	165.7	-57.5	175.2	-175.1	157.2	0	109.8	F202 T260 D261	F202-K274 HydrophobicContact CB-CG 4.42Å; F202-K274 CarbonylContact O-C 3.53Å; F202-K274 WeakPolarHBondContact O-CA 3.38Å; T260-K274 PolarHBondContact N-O 3.15Å; T260-K274 WeakPolarHBondContact OG1-CB 3.29Å; T260-K274 PolarHBondContact OG1-O 3.44Å; T260-K274 VanDerWaalsContact OG1-O 3.11Å; D261-K274 HydrophobicContact CB-CB 4.07Å; D261-K274 HydrophobicContact CB-CD 4.21Å; D261-K274 HydrophobicContact CB-CG 4.38Å; D261-K274 PolarHBondContact N-O 3.2Å; D261-K274 PolarHBondContact O-N 3.17Å; D261-K274 IonicContact OD2-NZ 3.18Å
275	A	96.3	Very high	92.3	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	169.5	179.5	0	0	0	0	0	111.3	L201 F202 I203 N204 I257 V258 I259 T260	L201-A275 HydrophobicContact CD2-CB 4.06Å; F202-A275 PolarHBondContact O-N 2.89Å; I203-A275 WeakPolarHBondContact CA-O 3.29Å; N204-A275 PolarHBondContact N-O 2.81Å; I257-A275 HydrophobicContact CB-CB 4.24Å; I257-A275 HydrophobicContact CD1-CB 3.97Å; V258-A275 CarbonylContact O-C 3.57Å; V258-A275 VanDerWaalsContact O-CA 3.23Å; V258-A275 WeakPolarHBondContact O-CA 3.24Å; V258-A275 WeakPolarHBondContact O-CB 3.4Å; I259-A275 HydrophobicContact CD1-CB 4.15Å; T260-A275 PolarHBondContact OG1-N 3.46Å
276	R	94.4	Very high	91.9	Very high	142 Å²	142	81.2 Å²	81.2	54%	0.536	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.2	167.5	63	-178.5	-178.2	127	-1.7	110.3	I257 V258 T260	I257-R276 CarbonylContact C-O 3.53Å; I257-R276 VanDerWaalsContact CA-O 3.31Å; I257-R276 WeakPolarHBondContact CA-O 3.15Å; V258-R276 HydrophobicContact CB-CG 4.1Å; V258-R276 PolarHBondContact N-O 2.86Å; V258-R276 PolarHBondContact O-N 2.67Å; T260-R276 HydrophobicContact CG2-CG 4.18Å
277	L	93.1	Very high	91.8	Very high	26 Å²	26	75.1 Å²	75.1	14%	0.136	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	144.9	172.6	-71.4	174.8	0	0	0	110.8	I203 D205 W254 I257 L279	I203-L277 HydrophobicContact CG2-CD1 4.28Å; I203-L277 HydrophobicContact CG2-CD2 4.17Å; I203-L277 HydrophobicContact CG2-CG 3.69Å; D205-L277 HydrophobicContact CB-CD1 4.04Å; W254-L277 HydrophobicContact CD2-CD2 4.42Å; W254-L277 HydrophobicContact CZ2-CD1 4.27Å; W254-L277 HydrophobicContact CZ2-CD2 4.01Å; I257-L277 HydrophobicContact CG2-CD2 3.99Å; L277-L279 HydrophobicContact CB-CG 4.31Å; L277-L279 HydrophobicContact CD1-CD1 4.33Å; L277-L279 HydrophobicContact CD2-CD2 4.09Å; L277-L279 HydrophobicContact CD2-CG 4.31Å
278	N	92.8	Very high	92	Very high	41 Å²	41	72.6 Å²	72.6	22%	0.219	37%	0.37	C	S	.	.			trans	-142.5	55.8	172.7	-173.7	7.4	0	0	0	108.7	N256 V258 E280 N281	N256-N278 CarbonylContact O-C 3.46Å; N256-N278 WeakPolarHBondContact O-CA 3.37Å; N256-N278 PolarHBondContact O-N 3.18Å; V258-N278 HydrophobicContact CG2-CB 3.98Å; N278-E280 PolarHBondContact O-N 3.2Å; N278-N281 WeakPolarHBondContact O-CB 3.35Å; N278-N281 PolarHBondContact O-N 3.35Å; N278-N281 VanDerWaalsContact O-N 3.11Å; N278-N281 WeakPolarHBondContact OD1-CB 3.3Å
279	L	90	Very high	92.2	Very high	67 Å²	67	75.3 Å²	75.3	35%	0.351	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25	-175.8	-58.5	-178.8	0	0	0	112.6	L277 N281	L277-L279 HydrophobicContact CB-CG 4.31Å; L277-L279 HydrophobicContact CD1-CD1 4.33Å; L277-L279 HydrophobicContact CD2-CD2 4.09Å; L277-L279 HydrophobicContact CD2-CG 4.31Å; L279-N281 PolarHBondContact O-N 3.23Å
280	E	90.9	Very high	92.2	Very high	180 Å²	180	72 Å²	72	84%	0.841	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-41.5	167.6	-44.8	-76.1	-177.2	0	0	111.4	N278 T282	N278-E280 PolarHBondContact O-N 3.2Å; E280-T282 PolarHBondContact O-N 2.84Å; E280-T282 VanDerWaalsContact O-N 3.16Å
281	N	90.7	Very high	92.2	Very high	50 Å²	50	72 Å²	72	27%	0.267	35%	0.353	S	S	.	.			trans	-83.3	91.5	-179	-179.2	5.8	0	0	0	110.7	N256 N278 L279 N283	N256-N281 PolarHBondContact ND2-O 3.48Å; N278-N281 WeakPolarHBondContact O-CB 3.35Å; N278-N281 PolarHBondContact O-N 3.35Å; N278-N281 VanDerWaalsContact O-N 3.11Å; N278-N281 WeakPolarHBondContact OD1-CB 3.3Å; L279-N281 PolarHBondContact O-N 3.23Å; N281-N283 VanDerWaalsContact C-N 3.26Å; N281-N283 PolarHBondContact O-N 3.02Å; N281-N283 WeakPolarHBondContact OD1-CB 3.15Å; N281-N283 PolarHBondContact OD1-N 3.34Å
282	T	90.4	Very high	92.2	Very high	99 Å²	99	68.9 Å²	68.9	61%	0.607	33%	0.334	S	S	*	.			trans	-81.8	8	175.1	57.8	0	0	0	0	114.6	E280 Y284	E280-T282 PolarHBondContact O-N 2.84Å; E280-T282 VanDerWaalsContact O-N 3.16Å; T282-Y284 VanDerWaalsContact O-CD2 3.3Å; T282-Y284 WeakPolarHBondContact O-CD2 3.43Å; T282-Y284 VanDerWaalsContact O-CE2 3.31Å; T282-Y284 WeakPolarHBondContact O-CE2 2.73Å; T282-Y284 PolarHBondContact O-N 3.16Å
283	N	89.8	Confident	92.2	Very high	89 Å²	89	68.1 Å²	68.1	48%	0.476	33%	0.328	S	S	.	.			trans	-81	104.7	177.7	-173.6	-3.1	0	0	0	111.3	N256 N281 K285	N256-N283 PolarHBondContact ND2-O 3.45Å; N281-N283 VanDerWaalsContact C-N 3.26Å; N281-N283 PolarHBondContact O-N 3.02Å; N281-N283 WeakPolarHBondContact OD1-CB 3.15Å; N281-N283 PolarHBondContact OD1-N 3.34Å; N283-K285 PolarHBondContact OD1-N 3.32Å; N283-K285 VanDerWaalsContact OD1-N 3.12Å
284	Y	89.2	Confident	92	Very high	87 Å²	87	68.5 Å²	68.5	34%	0.341	33%	0.33	S	S	.	.			trans	-106.4	17.1	179.1	-42.4	-58.6	0	0	0	113.9	T250 T282 T287 K289	T250-Y284 HydrophobicContact CG2-CD1 3.67Å; T250-Y284 HydrophobicContact CG2-CE1 4.11Å; T250-Y284 HydrophobicContact CG2-CG 4.35Å; T282-Y284 VanDerWaalsContact O-CD2 3.3Å; T282-Y284 WeakPolarHBondContact O-CD2 3.43Å; T282-Y284 VanDerWaalsContact O-CE2 3.31Å; T282-Y284 WeakPolarHBondContact O-CE2 2.73Å; T282-Y284 PolarHBondContact O-N 3.16Å; Y284-T287 WeakPolarHBondContact CA-OG1 3.43Å; Y284-K289 WeakPolarHBondContact O-CE 3.27Å; Y284-K289 PolarHBondContact O-NZ 2.75Å
285	K	83.9	Confident	91.7	Very high	185 Å²	185	67.7 Å²	67.7	80%	0.804	33%	0.328	S	S	*	.	S	Bend	trans	-79.8	-36	-174.1	-79.9	-175.2	175.2	177.8	0	113.7	N283	N283-K285 PolarHBondContact OD1-N 3.32Å; N283-K285 VanDerWaalsContact OD1-N 3.12Å
286	N	85.2	Confident	91	Very high	156 Å²	156	69 Å²	69	83%	0.834	34%	0.336	S	S	*	.	S	Bend	trans	-118.8	19.9	-172.5	-60.7	-8.9	0	0	0	112.8
287	T	89	Confident	90.2	Very high	24 Å²	24	72 Å²	72	15%	0.147	36%	0.356	C	S	.	.	S	Bend	trans	-102.8	142.5	-178.6	48.5	0	0	0	0	110.9	T248 T250 Y284 K289	T248-T287 HydrophobicContact CG2-CG2 3.98Å; T250-T287 VanDerWaalsContact OG1-CB 3.28Å; T250-T287 WeakPolarHBondContact OG1-CB 3.35Å; T250-T287 PolarHBondContact OG1-OG1 3.25Å; Y284-T287 WeakPolarHBondContact CA-OG1 3.43Å; T287-K289 WeakPolarHBondContact O-CG 3.33Å
288	L	92.3	Very high	89.5	Confident	87 Å²	87	76.6 Å²	76.6	46%	0.455	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	137.7	166.5	-64.4	172.4	0	0	0	109	L242 T250 F290	L242-L288 HydrophobicContact CB-CD1 4.31Å; T250-L288 PolarHBondContact N-O 3.48Å; L288-F290 HydrophobicContact CB-CE1 4.02Å; L288-F290 HydrophobicContact CB-CE2 3.86Å; L288-F290 HydrophobicContact CB-CZ 3.48Å; L288-F290 VanDerWaalsContact CB-CZ 3.48Å; L288-F290 HydrophobicContact CD1-CZ 3.89Å; L288-F290 HydrophobicContact CG-CZ 4.23Å
289	K	93.6	Very high	88.8	Confident	94 Å²	94	75.6 Å²	75.6	41%	0.409	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113	-172.7	-54.4	-167.7	177.8	176.8	0	111.1	T250 V252 Y284 T287 R357	T250-K289 WeakPolarHBondContact O-CA 3.47Å; V252-K289 HydrophobicContact CG2-CB 4.39Å; Y284-K289 WeakPolarHBondContact O-CE 3.27Å; Y284-K289 PolarHBondContact O-NZ 2.75Å; T287-K289 WeakPolarHBondContact O-CG 3.33Å; K289-R357 WeakPolarHBondContact O-CD 3.33Å; K289-R357 PolarHBondContact O-NH1 3.49Å
290	F	92.9	Very high	88.6	Confident	4 Å²	4	78 Å²	78	2%	0.018	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.2	-173.4	-54.3	-47.7	0	0	0	113	D239 L242 L243 V249 T250 V252 L288	D239-F290 HydrophobicContact CB-CB 4.37Å; D239-F290 HydrophobicContact CB-CD1 3.5Å; D239-F290 VanDerWaalsContact CB-CD1 3.5Å; D239-F290 HydrophobicContact CB-CD2 4.43Å; D239-F290 HydrophobicContact CB-CE1 3.73Å; D239-F290 HydrophobicContact CB-CG 3.86Å; D239-F290 HydrophobicContact CB-CZ 4.31Å; D239-F290 WeakPolarHBondContact OD1-CD1 3.45Å; D239-F290 WeakPolarHBondContact OD1-CE1 3.36Å; D239-F290 WeakPolarHBondContact OD2-CD1 3.39Å; L242-F290 HydrophobicContact CB-CZ 4.34Å; L242-F290 HydrophobicContact CD1-CE1 4.24Å; L242-F290 HydrophobicContact CD1-CZ 4.34Å; L243-F290 HydrophobicContact CD2-CD2 4.34Å; L243-F290 HydrophobicContact CD2-CE2 3.6Å; L243-F290 HydrophobicContact CD2-CZ 4.45Å; V249-F290 HydrophobicContact CG1-CD2 3.31Å; V249-F290 HydrophobicContact CG1-CE2 3.51Å; V249-F290 HydrophobicContact CG1-CG 4.4Å; V249-F290 HydrophobicContact CG2-CE2 4.21Å; T250-F290 PolarHBondContact O-N 2.96Å; V252-F290 WeakPolarHBondContact CB-O 3.3Å; V252-F290 VanDerWaalsContact CG2-O 3.3Å; V252-F290 WeakPolarHBondContact CG2-O 3.47Å; V252-F290 PolarHBondContact N-O 3.2Å; L288-F290 HydrophobicContact CB-CE1 4.02Å; L288-F290 HydrophobicContact CB-CE2 3.86Å; L288-F290 HydrophobicContact CB-CZ 3.48Å; L288-F290 VanDerWaalsContact CB-CZ 3.48Å; L288-F290 HydrophobicContact CD1-CZ 3.89Å; L288-F290 HydrophobicContact CG-CZ 4.23Å
291	T	95.3	Very high	88.6	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.358	C	S	.	.			trans	-83.9	144.3	168.6	35	0	0	0	0	109.8	I191 Q356 R357	I191-T291 HydrophobicContact CD1-CG2 4.38Å; I191-T291 HydrophobicContact CG1-CG2 4.15Å; I191-T291 HydrophobicContact CG2-CG2 4.06Å; T291-Q356 HydrophobicContact CG2-CB 3.71Å; T291-R357 HydrophobicContact CG2-CG 4.38Å
292	W	95.8	Very high	88.8	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.015	35%	0.346	C	S	.	.			trans	-151.2	158.3	-172.7	61.4	-81.1	0	0	0	109.9	I191 M227 L228 Y229 V233 L234 I235 L251 V252 W254 A294	I191-W292 WeakPolarHBondContact CG2-O 3.48Å; M227-W292 HydrophobicContact CG-CH2 4.03Å; M227-W292 HydrophobicContact CG-CZ2 4.18Å; M227-W292 HydrophobicContact SD-CH2 4.03Å; M227-W292 HydrophobicContact SD-CZ2 3.55Å; M227-W292 VanDerWaalsContact SD-CZ2 3.55Å; L228-W292 VanDerWaalsContact O-CH2 3.23Å; L228-W292 WeakPolarHBondContact O-CH2 3.35Å; L228-W292 WeakPolarHBondContact O-CZ3 3.39Å; Y229-W292 AromaticContact CD1-CH2 3.46Å; Y229-W292 HydrophobicContact CD1-CH2 3.46Å; Y229-W292 VanDerWaalsContact CD1-CH2 3.46Å; Y229-W292 AromaticContact CD1-CZ2 3.92Å; Y229-W292 HydrophobicContact CD1-CZ2 3.92Å; Y229-W292 AromaticContact CE1-CH2 3.68Å; Y229-W292 HydrophobicContact CE1-CH2 3.68Å; Y229-W292 AromaticContact CE1-CZ2 3.7Å; Y229-W292 HydrophobicContact CE1-CZ2 3.7Å; Y229-W292 HydrophobicContact CG-CH2 4.21Å; V233-W292 HydrophobicContact CB-CB 4.49Å; V233-W292 HydrophobicContact CB-CE3 3.95Å; V233-W292 HydrophobicContact CG1-CD2 4.47Å; V233-W292 HydrophobicContact CG1-CE3 3.5Å; V233-W292 VanDerWaalsContact CG1-CE3 3.5Å; V233-W292 HydrophobicContact CG1-CZ3 3.87Å; V233-W292 HydrophobicContact CG2-CB 4.39Å; L234-W292 VanDerWaalsContact O-CA 3.24Å; L234-W292 WeakPolarHBondContact O-CA 3.35Å; I235-W292 HydrophobicContact CG2-CB 3.97Å; L251-W292 HydrophobicContact CB-CG 4.4Å; L251-W292 HydrophobicContact CD1-CG 4.48Å; L251-W292 HydrophobicContact CD2-CB 4.23Å; L251-W292 HydrophobicContact CD2-CG 4.11Å; V252-W292 PolarHBondContact O-NE1 3Å; W254-W292 HydrophobicContact CB-CZ2 3.92Å; W254-W292 HydrophobicContact CD2-CH2 4.27Å; W254-W292 HydrophobicContact CD2-CZ2 4.17Å; W254-W292 HydrophobicContact CE3-CD2 4.16Å; W254-W292 AromaticContact CE3-CE2 3.85Å; W254-W292 HydrophobicContact CE3-CE3 4.11Å; W254-W292 AromaticContact CE3-CH2 3.45Å; W254-W292 HydrophobicContact CE3-CH2 3.45Å; W254-W292 VanDerWaalsContact CE3-CH2 3.45Å; W254-W292 AromaticContact CE3-CZ2 3.51Å; W254-W292 HydrophobicContact CE3-CZ2 3.51Å; W254-W292 AromaticContact CE3-CZ3 3.75Å; W254-W292 HydrophobicContact CE3-CZ3 3.75Å; W254-W292 HydrophobicContact CG-CZ2 4.38Å; W254-W292 HydrophobicContact CZ3-CE3 4.11Å; W254-W292 AromaticContact CZ3-CH2 3.76Å; W254-W292 HydrophobicContact CZ3-CH2 3.76Å; W254-W292 HydrophobicContact CZ3-CZ2 4.28Å; W254-W292 AromaticContact CZ3-CZ3 3.66Å; W254-W292 HydrophobicContact CZ3-CZ3 3.66Å; W292-A294 HydrophobicContact CZ3-CB 4.17Å
293	L	95.5	Very high	89	Confident	8 Å²	8	67.4 Å²	67.4	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.3	171.8	-68.2	174.9	0	0	0	109.3	I191 L193 V233 L234 M301 L339 E341	I191-L293 HydrophobicContact CB-CD2 4.2Å; I191-L293 HydrophobicContact CG2-CD2 3.94Å; I191-L293 HydrophobicContact CG2-CG 4.22Å; L193-L293 HydrophobicContact CD1-CB 4.09Å; L193-L293 HydrophobicContact CD1-CD1 3.99Å; L193-L293 HydrophobicContact CD1-CG 3.84Å; L193-L293 HydrophobicContact CG-CD1 3.89Å; L193-L293 HydrophobicContact CG-CG 3.95Å; V233-L293 CarbonylContact C-O 3.54Å; V233-L293 WeakPolarHBondContact CA-O 3.27Å; V233-L293 WeakPolarHBondContact CB-O 3.4Å; L234-L293 PolarHBondContact N-O 3.4Å; L234-L293 PolarHBondContact O-N 3.46Å; L234-L293 VanDerWaalsContact O-N 3.11Å; L293-M301 HydrophobicContact CB-SD 4.26Å; L293-M301 HydrophobicContact CD1-SD 4.07Å; L293-L339 HydrophobicContact CD1-CB 4.03Å; L293-L339 VanDerWaalsContact CD1-O 3.28Å; L293-L339 WeakPolarHBondContact CD1-O 3.34Å; L293-E341 HydrophobicContact CD2-CB 3.6Å
294	A	93.8	Very high	89.4	Confident	7 Å²	7	63.1 Å²	63.1	6%	0.058	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	137.5	170	0	0	0	0	0	110.6	L228 W292 T296 A299	L228-A294 HydrophobicContact CB-CB 4.14Å; L228-A294 WeakPolarHBondContact O-CB 3.31Å; W292-A294 HydrophobicContact CZ3-CB 4.17Å; A294-T296 HydrophobicContact CB-CG2 4.39Å; A294-A299 VanDerWaalsContact O-CB 3.28Å; A294-A299 WeakPolarHBondContact O-CB 3.19Å
295	E	91.2	Very high	89.8	Confident	71 Å²	71	60.3 Å²	60.3	33%	0.332	30%	0.301	S	S	.	.			trans	-111.4	88.9	169	-169.8	178.9	-128.2	0	0	108.2	K232 L234 M301	K232-E295 HydrophobicContact CD-CB 4.47Å; K232-E295 VanDerWaalsContact CD-OE2 3.26Å; K232-E295 WeakPolarHBondContact CD-OE2 3.39Å; K232-E295 WeakPolarHBondContact CE-OE2 3.22Å; K232-E295 IonicContact NZ-OE2 3.5Å; K232-E295 PolarHBondContact NZ-OE2 3.48Å; K232-E295 PolarHBondContact O-N 3.39Å; L234-E295 HydrophobicContact CD1-CB 4.25Å; L234-E295 HydrophobicContact CD1-CG 4.43Å; L234-E295 HydrophobicContact CG-CB 4.11Å; E295-M301 HydrophobicContact CB-CE 4.43Å; E295-M301 HydrophobicContact CG-CE 4.24Å
296	T	82.1	Confident	90.5	Very high	27 Å²	27	51.5 Å²	51.5	17%	0.166	26%	0.262	C	S	.	.	S	Bend	trans	-127.9	167.4	178.2	61.7	0	0	0	0	109.3	A294 D298 A299	A294-T296 HydrophobicContact CB-CG2 4.39Å; T296-D298 PolarHBondContact O-N 3.3Å; T296-A299 WeakPolarHBondContact O-CB 3.35Å; T296-A299 PolarHBondContact O-N 3.1Å; T296-A299 PolarHBondContact OG1-N 3.06Å
297	E	76.9	Confident	91.1	Very high	206 Å²	206	44 Å²	44	96%	0.963	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.3	177.1	-61.7	-174.6	167.1	0	0	112.1	A299	E297-A299 PolarHBondContact O-N 3Å
298	D	78.6	Confident	91.4	Very high	123 Å²	123	43.6 Å²	43.6	66%	0.658	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.5	173.1	-61.2	-50.9	0	0	0	114.2	L228 T296 E300	L228-D298 HydrophobicContact CD1-CB 4.29Å; L228-D298 VanDerWaalsContact CD1-O 3.3Å; L228-D298 WeakPolarHBondContact CD1-O 3.38Å; T296-D298 PolarHBondContact O-N 3.3Å; D298-E300 VanDerWaalsContact C-N 3.3Å; D298-E300 PolarHBondContact O-N 3.35Å
299	A	76.8	Confident	91.5	Very high	20 Å²	20	39.7 Å²	39.7	17%	0.165	20%	0.198	C	C	.	.			trans	-77.6	79.5	-177	0	0	0	0	0	111.1	A294 T296 E297 M301	A294-A299 VanDerWaalsContact O-CB 3.28Å; A294-A299 WeakPolarHBondContact O-CB 3.19Å; T296-A299 WeakPolarHBondContact O-CB 3.35Å; T296-A299 PolarHBondContact O-N 3.1Å; T296-A299 PolarHBondContact OG1-N 3.06Å; E297-A299 PolarHBondContact O-N 3Å; A299-M301 HydrophobicContact CB-CE 4.32Å; A299-M301 HydrophobicContact CB-CG 4.48Å; A299-M301 PolarHBondContact O-N 3.26Å
300	E	85.7	Confident	91.6	Very high	118 Å²	118	38 Å²	38	55%	0.551	19%	0.194	S	C	*	.			trans	-67.7	53.7	173.4	-65.2	-169.9	156.7	0	0	113.2	D298 A342 R345	D298-E300 VanDerWaalsContact C-N 3.3Å; D298-E300 PolarHBondContact O-N 3.35Å; E300-A342 HydrophobicContact CB-CB 4.06Å; E300-R345 PolarHBondContact O-NE 3.18Å; E300-R345 VanDerWaalsContact O-NE 3.16Å; E300-R345 PolarHBondContact O-NH2 2.88Å; E300-R345 IonicContact OE2-NE 3.11Å
301	M	92.4	Very high	91.6	Very high	44 Å²	44	41.1 Å²	41.1	22%	0.217	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-51.7	140.9	179	-73.3	-172.9	-96.2	0	0	111.3	L234 L293 E295 A299 L339 G340 R345	L234-M301 HydrophobicContact CD1-CE 4.14Å; L234-M301 HydrophobicContact CD1-SD 4.34Å; L293-M301 HydrophobicContact CB-SD 4.26Å; L293-M301 HydrophobicContact CD1-SD 4.07Å; E295-M301 HydrophobicContact CB-CE 4.43Å; E295-M301 HydrophobicContact CG-CE 4.24Å; A299-M301 HydrophobicContact CB-CE 4.32Å; A299-M301 HydrophobicContact CB-CG 4.48Å; A299-M301 PolarHBondContact O-N 3.26Å; M301-L339 HydrophobicContact SD-CB 4.19Å; M301-L339 HydrophobicContact SD-CD1 3.95Å; M301-G340 CarbonylContact C-O 3.56Å; M301-G340 WeakPolarHBondContact CA-O 3.38Å; M301-R345 PolarHBondContact O-NH2 3Å
302	V	94.3	Very high	91.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.8	-175.1	-173.4	0	0	0	0	108.2	V304 G340 E341 M344 R345 Y367 L380	V302-V304 HydrophobicContact CB-CG2 4.36Å; V302-V304 HydrophobicContact CG1-CG2 4.19Å; V302-V304 PolarHBondContact O-N 3.4Å; V302-G340 PolarHBondContact N-O 3.36Å; V302-G340 PolarHBondContact O-N 2.95Å; V302-E341 WeakPolarHBondContact CG2-O 3.42Å; V302-M344 HydrophobicContact CB-CB 4.43Å; V302-M344 HydrophobicContact CG2-CB 4.16Å; V302-R345 HydrophobicContact CG2-CG 3.47Å; V302-R345 VanDerWaalsContact CG2-CG 3.47Å; V302-Y367 HydrophobicContact CG1-CD2 3.6Å; V302-Y367 HydrophobicContact CG1-CE2 4.18Å; V302-Y367 HydrophobicContact CG1-CG 3.83Å; V302-L380 HydrophobicContact CG1-CB 4.28Å
303	L	95	Very high	91.6	Very high	61 Å²	61	41 Å²	41	32%	0.319	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.8	168.7	-172.8	66	0	0	0	108.7	K195 P379 L380	K195-L303 HydrophobicContact CD-CD1 4.49Å; L303-P379 HydrophobicContact CB-CB 4.27Å; L303-P379 HydrophobicContact CD2-CB 4.07Å; L303-P379 HydrophobicContact CG-CB 3.95Å; L303-P379 CarbonylContact O-C 3.47Å; L303-P379 VanDerWaalsContact O-CA 3.27Å; L303-P379 WeakPolarHBondContact O-CA 3.19Å; L303-P379 WeakPolarHBondContact O-CB 3.44Å; L303-L380 PolarHBondContact O-N 2.83Å
304	V	97.6	Very high	91.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.6	-178.7	-179	0	0	0	0	108.9	V302 M338 M344 L380 L382	V302-V304 HydrophobicContact CB-CG2 4.36Å; V302-V304 HydrophobicContact CG1-CG2 4.19Å; V302-V304 PolarHBondContact O-N 3.4Å; V304-M338 HydrophobicContact CB-CB 4.04Å; V304-M338 PolarHBondContact N-O 2.95Å; V304-M338 PolarHBondContact O-N 3.47Å; V304-M344 HydrophobicContact CG2-CE 4.02Å; V304-M344 HydrophobicContact CG2-SD 4.45Å; V304-L380 CarbonylContact C-O 3.52Å; V304-L380 WeakPolarHBondContact CA-O 3.11Å; V304-L380 HydrophobicContact CG1-CD2 4.44Å; V304-L380 HydrophobicContact CG2-CB 4.21Å; V304-L380 HydrophobicContact CG2-CD2 4.1Å; V304-L382 HydrophobicContact CG1-CD1 3.7Å; V304-L382 HydrophobicContact CG1-CG 3.99Å
305	V	97.9	Very high	91.6	Very high	27 Å²	27	47.1 Å²	47.1	16%	0.164	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	108.2	169	175.9	0	0	0	0	107.8	N335 F336 P379 L380 V381 L382	V305-N335 HydrophobicContact CG1-CB 4.12Å; V305-F336 WeakPolarHBondContact CA-O 3.49Å; V305-P379 HydrophobicContact CG2-CB 3.89Å; V305-P379 HydrophobicContact CG2-CG 3.82Å; V305-L380 PolarHBondContact N-O 3.15Å; V305-V381 WeakPolarHBondContact O-CA 3.37Å; V305-L382 PolarHBondContact O-N 3.24Å
306	A	97.7	Very high	91.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.8	174.1	0	0	0	0	0	109.4	F336 M338 F361 L382	A306-F336 PolarHBondContact N-O 3.43Å; A306-F336 PolarHBondContact O-N 2.81Å; A306-M338 HydrophobicContact CB-CE 3.6Å; A306-M338 HydrophobicContact CB-SD 3.95Å; A306-F361 HydrophobicContact CB-CD1 4.47Å; A306-F361 HydrophobicContact CB-CE1 3.94Å; A306-L382 CarbonylContact C-O 3.57Å; A306-L382 WeakPolarHBondContact CA-O 3.26Å
307	S	97.5	Very high	92.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.3	171.1	-60.1	0	0	0	0	110	F309 R333 H334 N335 L382 D384	S307-F309 VanDerWaalsContact CB-CE2 3.42Å; S307-R333 PolarHBondContact OG-NE 2.92Å; S307-R333 PolarHBondContact OG-NH2 2.76Å; S307-R333 VanDerWaalsContact OG-NH2 3.11Å; S307-H334 CarbonylContact C-O 3.33Å; S307-H334 WeakPolarHBondContact CA-O 3.26Å; S307-N335 WeakPolarHBondContact CB-OD1 3.27Å; S307-N335 PolarHBondContact OG-OD1 3.25Å; S307-L382 PolarHBondContact N-O 2.81Å; S307-D384 PolarHBondContact O-N 2.62Å; S307-D384 VanDerWaalsContact O-N 3.07Å
308	Q	95.6	Very high	93	Very high	15 Å²	15	42.4 Å²	42.4	7%	0.07	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	146.4	160.4	-65.6	-171.3	-4.7	0	0	110.9	R333 H334 F336 D384	Q308-R333 CarbonylContact O-C 3.4Å; Q308-R333 WeakPolarHBondContact O-CA 2.88Å; Q308-H334 PolarHBondContact N-O 2.65Å; Q308-H334 PolarHBondContact O-N 3.42Å; Q308-F336 HydrophobicContact CB-CE2 3.98Å; Q308-F336 HydrophobicContact CG-CD2 4.25Å; Q308-F336 HydrophobicContact CG-CE2 3.78Å; Q308-D384 WeakPolarHBondContact CA-OD1 3.45Å
309	F	95.7	Very high	93.5	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.022	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.5	175.6	-49.8	-119.5	0	0	0	111.8	P130 R131 R141 S307 S332 R333 F383 D384 K391	P130-F309 HydrophobicContact CB-CD1 4.44Å; P130-F309 HydrophobicContact CB-CE1 4.14Å; P130-F309 HydrophobicContact CB-CE2 4.49Å; P130-F309 HydrophobicContact CB-CZ 4.17Å; P130-F309 HydrophobicContact CG-CE1 3.93Å; P130-F309 HydrophobicContact CG-CE2 4.44Å; P130-F309 HydrophobicContact CG-CZ 3.79Å; R131-F309 HydrophobicContact CG-CB 3.91Å; R131-F309 HydrophobicContact CG-CD1 3.7Å; R131-F309 HydrophobicContact CG-CG 4.25Å; R141-F309 PolarHBondContact NH2-O 3.24Å; S307-F309 VanDerWaalsContact CB-CE2 3.42Å; F309-S332 VanDerWaalsContact CA-O 3.27Å; F309-S332 WeakPolarHBondContact CA-O 3.35Å; F309-R333 HydrophobicContact CD1-CB 3.96Å; F309-R333 HydrophobicContact CD1-CG 3.84Å; F309-R333 HydrophobicContact CE1-CB 4.28Å; F309-R333 HydrophobicContact CE1-CG 3.75Å; F309-R333 HydrophobicContact CG-CG 4.42Å; F309-R333 HydrophobicContact CZ-CG 4.23Å; F309-F383 HydrophobicContact CE2-CB 3.89Å; F309-F383 AromaticContact CE2-CD1 3.71Å; F309-F383 HydrophobicContact CE2-CD1 3.71Å; F309-F383 HydrophobicContact CE2-CD2 4.07Å; F309-F383 HydrophobicContact CE2-CE1 4.2Å; F309-F383 AromaticContact CE2-CG 3.62Å; F309-F383 HydrophobicContact CE2-CG 3.62Å; F309-F383 AromaticContact CZ-CD1 3.81Å; F309-F383 HydrophobicContact CZ-CD1 3.81Å; F309-F383 AromaticContact CZ-CD2 3.93Å; F309-F383 HydrophobicContact CZ-CD2 3.93Å; F309-F383 AromaticContact CZ-CE1 3.83Å; F309-F383 HydrophobicContact CZ-CE1 3.83Å; F309-F383 AromaticContact CZ-CE2 3.94Å; F309-F383 HydrophobicContact CZ-CE2 3.94Å; F309-F383 AromaticContact CZ-CG 3.85Å; F309-F383 HydrophobicContact CZ-CG 3.85Å; F309-F383 AromaticContact CZ-CZ 3.89Å; F309-F383 HydrophobicContact CZ-CZ 3.89Å; F309-D384 PolarHBondContact N-OD1 2.87Å; F309-K391 PolarHBondContact O-NZ 3.18Å
310	D	94.2	Very high	94	Very high	59 Å²	59	47.4 Å²	47.4	32%	0.316	25%	0.252	S	S	.	.			trans	-111.4	172.8	174	-77.6	-67.8	0	0	0	110.9	V312 S332 H334 K391	D310-V312 PolarHBondContact O-N 3.27Å; D310-S332 PolarHBondContact N-O 3.11Å; D310-H334 IonicContact OD2-CD2 3.4Å; D310-H334 PolarHBondContact OD2-CD2 3.25Å; D310-K391 VanDerWaalsContact CG-NZ 3.3Å; D310-K391 IonicContact OD1-NZ 3.94Å; D310-K391 PolarHBondContact OD1-NZ 3.3Å; D310-K391 IonicContact OD2-NZ 2.65Å; D310-K391 PolarHBondContact OD2-NZ 3.3Å
311	N	94.4	Very high	94.3	Very high	69 Å²	69	49.7 Å²	49.7	37%	0.369	27%	0.268	S	S	.	.			trans	-67.3	131.9	179.8	-65.5	-41.6	0	0	0	110.9	N107 I313 C329	N107-N311 HydrophobicContact CB-CB 3.7Å; N107-N311 VanDerWaalsContact CB-CG 3.5Å; N107-N311 WeakPolarHBondContact CB-ND2 3.32Å; N311-I313 PolarHBondContact O-N 2.83Å; N311-C329 WeakPolarHBondContact O-CB 3.25Å
312	V	94.7	Very high	94.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.271	C	S	.	.	S	Bend	trans	-64.9	-20.5	177.3	73.3	0	0	0	0	112.8	L118 V123 V124 R131 D310 V328 C329	L118-V312 HydrophobicContact CD1-CG1 4.15Å; L118-V312 HydrophobicContact CD1-CG2 4.19Å; L118-V312 HydrophobicContact CD2-CG2 4.21Å; V123-V312 HydrophobicContact CG1-CG2 3.97Å; V124-V312 HydrophobicContact CG1-CG2 4.02Å; R131-V312 HydrophobicContact CB-CB 4.29Å; D310-V312 PolarHBondContact O-N 3.27Å; V312-V328 WeakPolarHBondContact O-CA 3.37Å; V312-C329 PolarHBondContact O-N 3.04Å
313	I	96.6	Very high	94.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-115.4	123	170.2	-52.5	-63.4	0	0	0	109.9	N107 V109 N311 K315 L318 F324 Y327 V328	N107-I313 WeakPolarHBondContact CB-O 3.4Å; N107-I313 PolarHBondContact ND2-O 3.36Å; V109-I313 HydrophobicContact CG1-CD1 4.13Å; V109-I313 HydrophobicContact CG1-CG1 4.11Å; N311-I313 PolarHBondContact O-N 2.83Å; I313-K315 PolarHBondContact O-N 2.96Å; I313-L318 HydrophobicContact CG2-CD2 4.15Å; I313-L318 HydrophobicContact CG2-CG 4.48Å; I313-F324 HydrophobicContact CD1-CD2 4.37Å; I313-Y327 CarbonylContact C-O 3.46Å; I313-Y327 WeakPolarHBondContact CA-O 3.41Å; I313-V328 HydrophobicContact CD1-CG2 4.2Å
314	S	95	Very high	94.4	Very high	76 Å²	76	50.7 Å²	50.7	53%	0.531	27%	0.272	S	S	.	.	S	Bend	trans	-67.2	-34.5	-178.3	60.5	0	0	0	0	113.2	N107 Y327	N107-S314 PolarHBondContact ND2-O 3.16Å; N107-S314 VanDerWaalsContact ND2-O 3.11Å; S314-Y327 PolarHBondContact N-O 2.92Å; S314-Y327 PolarHBondContact OG-O 3.36Å
315	K	94.1	Very high	94.3	Very high	67 Å²	67	54.6 Å²	54.6	29%	0.291	29%	0.289	S	S	.	.	S	Bend	trans	-89	131.5	-177.7	-167.2	175.4	-176.8	178.1	0	112.4	I313 Q317 L318 E322 Y327	I313-K315 PolarHBondContact O-N 2.96Å; K315-Q317 WeakPolarHBondContact CD-O 3.25Å; K315-Q317 WeakPolarHBondContact CE-O 3.28Å; K315-Q317 WeakPolarHBondContact CG-O 3.33Å; K315-Q317 PolarHBondContact O-N 2.9Å; K315-L318 HydrophobicContact CB-CD2 4.35Å; K315-L318 HydrophobicContact CD-CD2 4.42Å; K315-E322 IonicContact NZ-OE1 2.65Å; K315-E322 PolarHBondContact NZ-OE1 3.27Å; K315-E322 IonicContact NZ-OE2 2.76Å; K315-E322 PolarHBondContact NZ-OE2 2.97Å; K315-Y327 HydrophobicContact CB-CD1 3.7Å; K315-Y327 HydrophobicContact CB-CE1 4.24Å; K315-Y327 HydrophobicContact CB-CG 4.08Å; K315-Y327 HydrophobicContact CD-CD1 3.99Å; K315-Y327 HydrophobicContact CD-CE1 3.68Å; K315-Y327 HydrophobicContact CD-CE2 4.45Å; K315-Y327 HydrophobicContact CG-CD1 4.46Å
316	A	93.2	Very high	94.2	Very high	47 Å²	47	59.4 Å²	59.4	39%	0.388	31%	0.314	S	S	.	.	S	Bend	trans	-60	-44.3	-179	0	0	0	0	0	113.4	M106 N107	M106-A316 CarbonylContact C-O 3.54Å; M106-A316 VanDerWaalsContact CA-O 3.26Å; M106-A316 WeakPolarHBondContact CA-O 3.28Å; M106-A316 HydrophobicContact CB-CB 4.44Å; N107-A316 PolarHBondContact N-O 2.84Å; N107-A316 WeakPolarHBondContact OD1-CA 3.25Å
317	Q	93	Very high	94.2	Very high	122 Å²	122	62.5 Å²	62.5	57%	0.57	33%	0.326	S	S	*	.	S	Bend	trans	-133.3	123.7	177	175.6	162.6	0.4	0	0	110.4	M163 K315	M163-Q317 HydrophobicContact CE-CB 4.12Å; M163-Q317 HydrophobicContact CE-CG 3.65Å; M163-Q317 HydrophobicContact SD-CB 3.74Å; M163-Q317 HydrophobicContact SD-CG 3.98Å; K315-Q317 WeakPolarHBondContact CD-O 3.25Å; K315-Q317 WeakPolarHBondContact CE-O 3.28Å; K315-Q317 WeakPolarHBondContact CG-O 3.33Å; K315-Q317 PolarHBondContact O-N 2.9Å
318	L	92	Very high	94.1	Very high	37 Å²	37	63.2 Å²	63.2	19%	0.194	33%	0.331	C	S	.	.			trans	-79.7	138	172.2	-61.2	173.9	0	0	0	110.7	V109 I313 K315 F324 Y327	V109-L318 HydrophobicContact CG1-CD1 4.01Å; I313-L318 HydrophobicContact CG2-CD2 4.15Å; I313-L318 HydrophobicContact CG2-CG 4.48Å; K315-L318 HydrophobicContact CB-CD2 4.35Å; K315-L318 HydrophobicContact CD-CD2 4.42Å; L318-F324 HydrophobicContact CD1-CB 3.55Å; L318-Y327 HydrophobicContact CD2-CD2 3.45Å; L318-Y327 VanDerWaalsContact CD2-CD2 3.45Å; L318-Y327 HydrophobicContact CD2-CE2 4.09Å; L318-Y327 HydrophobicContact CD2-CG 3.85Å
319	G	91	Very high	94.1	Very high	34 Å²	34	64.3 Å²	64.3	35%	0.351	34%	0.339	S	S	.	.			trans	-72.7	164.2	172	0	0	0	0	0	112.8	N321 E322	G319-N321 VanDerWaalsContact C-N 3.28Å; G319-N321 PolarHBondContact O-N 3.45Å; G319-E322 PolarHBondContact N-OE2 3.05Å; G319-E322 PolarHBondContact O-N 3.47Å
320	K	86.7	Confident	94.1	Very high	214 Å²	214	71.2 Å²	71.2	93%	0.93	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.7	-177.1	-70.1	-174.6	178.1	-178.6	0	113.8
321	N	91.2	Very high	94.1	Very high	165 Å²	165	73.2 Å²	73.2	88%	0.882	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	8.7	-173.6	-59.3	-5	0	0	0	112.8	G319	G319-N321 VanDerWaalsContact C-N 3.28Å; G319-N321 PolarHBondContact O-N 3.45Å
322	E	93.9	Very high	94.1	Very high	61 Å²	61	70 Å²	70	29%	0.285	36%	0.36	S	S	.	.			trans	-91.2	129.7	-178.1	-69	177.5	177.1	0	0	110.2	K315 G319 Y327	K315-E322 IonicContact NZ-OE1 2.65Å; K315-E322 PolarHBondContact NZ-OE1 3.27Å; K315-E322 IonicContact NZ-OE2 2.76Å; K315-E322 PolarHBondContact NZ-OE2 2.97Å; G319-E322 PolarHBondContact N-OE2 3.05Å; G319-E322 PolarHBondContact O-N 3.47Å; E322-Y327 HydrophobicContact CB-CE2 4.05Å; E322-Y327 HydrophobicContact CG-CE2 4.36Å
323	D	94.6	Very high	94.2	Very high	65 Å²	65	73.5 Å²	73.5	35%	0.348	37%	0.373	S	S	.	.			trans	-72.7	135.4	166.3	-158.6	-7.2	0	0	0	108.6	K325 Y327	D323-K325 PolarHBondContact O-N 3.23Å; D323-K325 WeakPolarHBondContact OD2-CD 3.41Å; D323-K325 WeakPolarHBondContact OD2-CE 3.21Å; D323-K325 IonicContact OD2-NZ 2.71Å; D323-Y327 WeakPolarHBondContact O-CD2 3.4Å
324	F	95.2	Very high	94.1	Very high	1 Å²	1	75.7 Å²	75.7	0%	0.004	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-70.9	-21.8	-179.1	72.2	-73.2	0	0	0	111.9	V109 K114 W117 L118 I313 L318 D326 Y327	V109-F324 HydrophobicContact CG1-CB 3.96Å; V109-F324 HydrophobicContact CG1-CD2 4.03Å; V109-F324 HydrophobicContact CG1-CG 4.19Å; K114-F324 HydrophobicContact CB-CD1 4.37Å; K114-F324 HydrophobicContact CB-CD2 4.24Å; K114-F324 HydrophobicContact CB-CE1 4.17Å; K114-F324 HydrophobicContact CB-CE2 3.98Å; K114-F324 HydrophobicContact CB-CG 4.43Å; K114-F324 HydrophobicContact CB-CZ 3.96Å; K114-F324 HydrophobicContact CD-CB 4.07Å; K114-F324 HydrophobicContact CD-CD1 3.58Å; K114-F324 HydrophobicContact CD-CD2 4.28Å; K114-F324 HydrophobicContact CD-CE1 4.13Å; K114-F324 HydrophobicContact CD-CG 3.7Å; K114-F324 HydrophobicContact CG-CD1 3.68Å; K114-F324 HydrophobicContact CG-CD2 4.38Å; K114-F324 HydrophobicContact CG-CE1 3.66Å; K114-F324 HydrophobicContact CG-CE2 4.32Å; K114-F324 HydrophobicContact CG-CG 4.08Å; K114-F324 HydrophobicContact CG-CZ 3.99Å; W117-F324 HydrophobicContact CB-CZ 3.99Å; W117-F324 HydrophobicContact CD2-CE2 4.19Å; W117-F324 AromaticContact CD2-CZ 3.71Å; W117-F324 HydrophobicContact CD2-CZ 3.71Å; W117-F324 AromaticContact CE3-CE2 3.46Å; W117-F324 HydrophobicContact CE3-CE2 3.46Å; W117-F324 VanDerWaalsContact CE3-CE2 3.46Å; W117-F324 AromaticContact CE3-CZ 3.48Å; W117-F324 HydrophobicContact CE3-CZ 3.48Å; W117-F324 VanDerWaalsContact CE3-CZ 3.48Å; W117-F324 AromaticContact CG-CZ 3.96Å; W117-F324 HydrophobicContact CG-CZ 3.96Å; W117-F324 HydrophobicContact CZ3-CE2 4.03Å; W117-F324 HydrophobicContact CZ3-CZ 4.28Å; L118-F324 HydrophobicContact CD2-CE2 4.29Å; L118-F324 HydrophobicContact CG-CE2 4.34Å; I313-F324 HydrophobicContact CD1-CD2 4.37Å; L318-F324 HydrophobicContact CD1-CB 3.55Å; F324-D326 VanDerWaalsContact C-N 3.27Å; F324-D326 PolarHBondContact O-N 3.02Å; F324-Y327 PolarHBondContact O-N 3.48Å; F324-Y327 VanDerWaalsContact O-N 3.14Å
325	K	95.9	Very high	94.2	Very high	82 Å²	82	76.5 Å²	76.5	36%	0.357	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-59.8	-36.1	179.4	-58.8	-178.5	-169.6	176.3	0	112.5	W117 D323 Y327 V328	W117-K325 HydrophobicContact CD2-CG 4.41Å; W117-K325 HydrophobicContact CE3-CG 4.34Å; W117-K325 HydrophobicContact CH2-CB 4.14Å; W117-K325 HydrophobicContact CH2-CD 4.03Å; W117-K325 HydrophobicContact CH2-CG 3.71Å; W117-K325 HydrophobicContact CZ2-CD 3.57Å; W117-K325 HydrophobicContact CZ2-CG 3.76Å; W117-K325 HydrophobicContact CZ3-CG 4.01Å; D323-K325 PolarHBondContact O-N 3.23Å; D323-K325 WeakPolarHBondContact OD2-CD 3.41Å; D323-K325 WeakPolarHBondContact OD2-CE 3.21Å; D323-K325 IonicContact OD2-NZ 2.71Å; K325-Y327 PolarHBondContact O-N 3.02Å; K325-Y327 VanDerWaalsContact O-N 3.17Å; K325-V328 PolarHBondContact O-N 3.39Å
326	D	96.3	Very high	94.3	Very high	128 Å²	128	74.6 Å²	74.6	68%	0.684	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-68.3	-12.9	179.9	-56.4	-30.6	0	0	0	112.8	F324	F324-D326 VanDerWaalsContact C-N 3.27Å; F324-D326 PolarHBondContact O-N 3.02Å
327	Y	97	Very high	94.4	Very high	64 Å²	64	77.1 Å²	77.1	25%	0.251	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-115.5	11.3	-178.6	-59.2	-77.8	0	0	0	113.2	I313 S314 K315 L318 E322 D323 F324 K325 C329	I313-Y327 CarbonylContact C-O 3.46Å; I313-Y327 WeakPolarHBondContact CA-O 3.41Å; S314-Y327 PolarHBondContact N-O 2.92Å; S314-Y327 PolarHBondContact OG-O 3.36Å; K315-Y327 HydrophobicContact CB-CD1 3.7Å; K315-Y327 HydrophobicContact CB-CE1 4.24Å; K315-Y327 HydrophobicContact CB-CG 4.08Å; K315-Y327 HydrophobicContact CD-CD1 3.99Å; K315-Y327 HydrophobicContact CD-CE1 3.68Å; K315-Y327 HydrophobicContact CD-CE2 4.45Å; K315-Y327 HydrophobicContact CG-CD1 4.46Å; L318-Y327 HydrophobicContact CD2-CD2 3.45Å; L318-Y327 VanDerWaalsContact CD2-CD2 3.45Å; L318-Y327 HydrophobicContact CD2-CE2 4.09Å; L318-Y327 HydrophobicContact CD2-CG 3.85Å; E322-Y327 HydrophobicContact CB-CE2 4.05Å; E322-Y327 HydrophobicContact CG-CE2 4.36Å; D323-Y327 WeakPolarHBondContact O-CD2 3.4Å; F324-Y327 PolarHBondContact O-N 3.48Å; F324-Y327 VanDerWaalsContact O-N 3.14Å; K325-Y327 PolarHBondContact O-N 3.02Å; K325-Y327 VanDerWaalsContact O-N 3.17Å; Y327-C329 PolarHBondContact O-N 3.35Å
328	V	96.8	Very high	94.7	Very high	16 Å²	16	71.3 Å²	71.3	10%	0.097	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-72.2	125.1	178.6	172	0	0	0	0	110.7	W117 L118 V123 V312 I313 K325 Y330	W117-V328 HydrophobicContact CZ3-CG2 4.07Å; L118-V328 HydrophobicContact CD2-CG1 4.47Å; L118-V328 HydrophobicContact CD2-CG2 4.01Å; V123-V328 HydrophobicContact CG1-CG1 3.48Å; V123-V328 VanDerWaalsContact CG1-CG1 3.48Å; V123-V328 HydrophobicContact CG2-CG1 4.2Å; V312-V328 WeakPolarHBondContact O-CA 3.37Å; I313-V328 HydrophobicContact CD1-CG2 4.2Å; K325-V328 PolarHBondContact O-N 3.39Å; V328-Y330 HydrophobicContact CB-CE2 4.02Å; V328-Y330 HydrophobicContact CG1-CD1 4.29Å; V328-Y330 HydrophobicContact CG1-CD2 4.06Å; V328-Y330 HydrophobicContact CG1-CE1 4.06Å; V328-Y330 HydrophobicContact CG1-CE2 3.8Å; V328-Y330 HydrophobicContact CG1-CG 4.29Å; V328-Y330 PolarHBondContact O-N 2.62Å
329	C	95.2	Very high	94.9	Very high	37 Å²	37	71.1 Å²	71.1	25%	0.25	35%	0.349	C	S	.	.			trans	-90.7	96.8	172.4	-164.9	0	0	0	0	110.1	N311 V312 Y327 D331 S332	N311-C329 WeakPolarHBondContact O-CB 3.25Å; V312-C329 PolarHBondContact O-N 3.04Å; Y327-C329 PolarHBondContact O-N 3.35Å; C329-D331 PolarHBondContact SG-O 2.95Å; C329-D331 VanDerWaalsContact SG-O 3.38Å; C329-S332 VanDerWaalsContact O-CB 3.26Å; C329-S332 WeakPolarHBondContact O-CB 3.31Å; C329-S332 PolarHBondContact O-OG 2.92Å
330	Y	94.2	Very high	95.1	Very high	151 Å²	151	69.5 Å²	69.5	59%	0.592	33%	0.332	S	S	*	.	S	Bend	trans	-66.9	-38.9	176.2	-63.9	-88.6	0	0	0	111.8	V123 V328 S332	V123-Y330 HydrophobicContact CG1-CD1 4.49Å; V123-Y330 HydrophobicContact CG2-CD1 4.36Å; V123-Y330 HydrophobicContact CG2-CE1 3.86Å; V328-Y330 HydrophobicContact CB-CE2 4.02Å; V328-Y330 HydrophobicContact CG1-CD1 4.29Å; V328-Y330 HydrophobicContact CG1-CD2 4.06Å; V328-Y330 HydrophobicContact CG1-CE1 4.06Å; V328-Y330 HydrophobicContact CG1-CE2 3.8Å; V328-Y330 HydrophobicContact CG1-CG 4.29Å; V328-Y330 PolarHBondContact O-N 2.62Å; Y330-S332 VanDerWaalsContact C-N 3.28Å; Y330-S332 PolarHBondContact O-N 2.89Å; Y330-S332 VanDerWaalsContact O-N 3.11Å
331	D	94.5	Very high	95.5	Very high	101 Å²	101	60 Å²	60	54%	0.54	29%	0.291	S	S	.	.	S	Bend	trans	-86.6	66	174	-170.3	25.6	0	0	0	110.8	C329 H334	C329-D331 PolarHBondContact SG-O 2.95Å; C329-D331 VanDerWaalsContact SG-O 3.38Å; D331-H334 PolarHBondContact O-NE2 3.02Å; D331-H334 VanDerWaalsContact O-NE2 3.11Å; D331-H334 IonicContact OD1-CE1 3.5Å; D331-H334 PolarHBondContact OD1-CE1 2.81Å; D331-H334 IonicContact OD1-ND1 2.78Å; D331-H334 PolarHBondContact OD1-ND1 2.97Å; D331-H334 IonicContact OD1-NE2 3.67Å; D331-H334 PolarHBondContact OD1-NE2 2.84Å; D331-H334 IonicContact OD2-NE2 2.66Å; D331-H334 PolarHBondContact OD2-NE2 2.97Å
332	S	95.1	Very high	95.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.			trans	-117.5	13.9	-177.5	52.9	0	0	0	0	114.2	R131 F309 D310 C329 Y330	R131-S332 WeakPolarHBondContact CD-OG 2.97Å; R131-S332 PolarHBondContact NH1-OG 2.84Å; F309-S332 VanDerWaalsContact CA-O 3.27Å; F309-S332 WeakPolarHBondContact CA-O 3.35Å; D310-S332 PolarHBondContact N-O 3.11Å; C329-S332 VanDerWaalsContact O-CB 3.26Å; C329-S332 WeakPolarHBondContact O-CB 3.31Å; C329-S332 PolarHBondContact O-OG 2.92Å; Y330-S332 VanDerWaalsContact C-N 3.28Å; Y330-S332 PolarHBondContact O-N 2.89Å; Y330-S332 VanDerWaalsContact O-N 3.11Å
333	R	96	Very high	95.6	Very high	75 Å²	75	51.1 Å²	51.1	28%	0.283	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	113.8	173.2	-179.7	-176.5	177.1	164	4	109.9	E125 S307 Q308 F309 N335	E125-R333 IonicContact OE2-NH1 3.6Å; S307-R333 PolarHBondContact OG-NE 2.92Å; S307-R333 PolarHBondContact OG-NH2 2.76Å; S307-R333 VanDerWaalsContact OG-NH2 3.11Å; Q308-R333 CarbonylContact O-C 3.4Å; Q308-R333 WeakPolarHBondContact O-CA 2.88Å; F309-R333 HydrophobicContact CD1-CB 3.96Å; F309-R333 HydrophobicContact CD1-CG 3.84Å; F309-R333 HydrophobicContact CE1-CB 4.28Å; F309-R333 HydrophobicContact CE1-CG 3.75Å; F309-R333 HydrophobicContact CG-CG 4.42Å; F309-R333 HydrophobicContact CZ-CG 4.23Å; R333-N335 PolarHBondContact NE-OD1 3.09Å
334	H	96	Very high	95.6	Very high	47 Å²	47	48 Å²	48	22%	0.218	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.4	-179.8	-52.6	-65	0	0	0	109.5	S307 Q308 D310 D331 F336	S307-H334 CarbonylContact C-O 3.33Å; S307-H334 WeakPolarHBondContact CA-O 3.26Å; Q308-H334 PolarHBondContact N-O 2.65Å; Q308-H334 PolarHBondContact O-N 3.42Å; D310-H334 IonicContact OD2-CD2 3.4Å; D310-H334 PolarHBondContact OD2-CD2 3.25Å; D331-H334 PolarHBondContact O-NE2 3.02Å; D331-H334 VanDerWaalsContact O-NE2 3.11Å; D331-H334 IonicContact OD1-CE1 3.5Å; D331-H334 PolarHBondContact OD1-CE1 2.81Å; D331-H334 IonicContact OD1-ND1 2.78Å; D331-H334 PolarHBondContact OD1-ND1 2.97Å; D331-H334 IonicContact OD1-NE2 3.67Å; D331-H334 PolarHBondContact OD1-NE2 2.84Å; D331-H334 IonicContact OD2-NE2 2.66Å; D331-H334 PolarHBondContact OD2-NE2 2.97Å; H334-F336 HydrophobicContact CB-CE2 3.76Å; H334-F336 HydrophobicContact CB-CZ 3.97Å
335	N	96.3	Very high	95.6	Very high	92 Å²	92	50.7 Å²	50.7	49%	0.492	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.4	179	-61.4	-36.5	0	0	0	110.1	V305 S307 R333	V305-N335 HydrophobicContact CG1-CB 4.12Å; S307-N335 WeakPolarHBondContact CB-OD1 3.27Å; S307-N335 PolarHBondContact OG-OD1 3.25Å; R333-N335 PolarHBondContact NE-OD1 3.09Å
336	F	95.8	Very high	95.5	Very high	27 Å²	27	52.6 Å²	52.6	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.1	180	-57.8	-89.8	0	0	0	110.1	V305 A306 Q308 H334 L397	V305-F336 WeakPolarHBondContact CA-O 3.49Å; A306-F336 PolarHBondContact N-O 3.43Å; A306-F336 PolarHBondContact O-N 2.81Å; Q308-F336 HydrophobicContact CB-CE2 3.98Å; Q308-F336 HydrophobicContact CG-CD2 4.25Å; Q308-F336 HydrophobicContact CG-CE2 3.78Å; H334-F336 HydrophobicContact CB-CE2 3.76Å; H334-F336 HydrophobicContact CB-CZ 3.97Å; F336-L397 HydrophobicContact CB-CD2 3.52Å; F336-L397 HydrophobicContact CD1-CD2 3.43Å; F336-L397 VanDerWaalsContact CD1-CD2 3.43Å; F336-L397 HydrophobicContact CD2-CD2 3.74Å; F336-L397 HydrophobicContact CE1-CB 4.38Å; F336-L397 HydrophobicContact CE1-CD2 3.97Å; F336-L397 HydrophobicContact CE2-CD2 4.25Å; F336-L397 HydrophobicContact CG-CD2 3.28Å; F336-L397 HydrophobicContact CZ-CB 4.46Å; F336-L397 HydrophobicContact CZ-CD2 4.35Å
337	E	96.8	Very high	95.5	Very high	100 Å²	100	46.7 Å²	46.7	47%	0.467	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.9	173.1	-68.7	-168.1	-162.5	0	0	110.8	K195	K195-E337 HydrophobicContact CB-CB 4.16Å; K195-E337 WeakPolarHBondContact CB-O 3.5Å; K195-E337 HydrophobicContact CD-CB 3.96Å; K195-E337 VanDerWaalsContact CD-OE2 3.22Å; K195-E337 WeakPolarHBondContact CD-OE2 3.33Å; K195-E337 PolarHBondContact N-O 3.37Å; K195-E337 IonicContact NZ-OE2 2.67Å; K195-E337 PolarHBondContact NZ-OE2 3.2Å
338	M	97.3	Very high	95.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154	179.5	-67.7	178.9	-174.7	0	0	111	A192 L193 V304 A306 L355 K358 L397	A192-M338 HydrophobicContact CB-CB 4.31Å; A192-M338 HydrophobicContact CB-SD 3.99Å; L193-M338 CarbonylContact O-C 3.57Å; L193-M338 WeakPolarHBondContact O-CA 3.35Å; L193-M338 VanDerWaalsContact O-CB 3.24Å; L193-M338 WeakPolarHBondContact O-CB 3.4Å; V304-M338 HydrophobicContact CB-CB 4.04Å; V304-M338 PolarHBondContact N-O 2.95Å; V304-M338 PolarHBondContact O-N 3.47Å; A306-M338 HydrophobicContact CB-CE 3.6Å; A306-M338 HydrophobicContact CB-SD 3.95Å; M338-L355 HydrophobicContact SD-CD1 3.96Å; M338-K358 HydrophobicContact CE-CD 3.67Å; M338-K358 HydrophobicContact SD-CD 4.19Å; M338-L397 HydrophobicContact CE-CD1 3.85Å; M338-L397 HydrophobicContact CE-CD2 3.63Å; M338-L397 HydrophobicContact CE-CG 4.17Å
339	L	96.1	Very high	95.5	Very high	34 Å²	34	54.3 Å²	54.3	18%	0.178	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.1	160	-60.7	-179.2	0	0	0	108	A192 L193 K195 L198 L293 M301	A192-L339 CarbonylContact C-O 3.59Å; A192-L339 WeakPolarHBondContact CA-O 3.31Å; L193-L339 PolarHBondContact N-O 3.21Å; L193-L339 PolarHBondContact O-N 2.85Å; K195-L339 HydrophobicContact CG-CG 4.47Å; L198-L339 HydrophobicContact CD1-CD1 3.73Å; L198-L339 HydrophobicContact CD1-CG 4.41Å; L293-L339 HydrophobicContact CD1-CB 4.03Å; L293-L339 VanDerWaalsContact CD1-O 3.28Å; L293-L339 WeakPolarHBondContact CD1-O 3.34Å; M301-L339 HydrophobicContact SD-CB 4.19Å; M301-L339 HydrophobicContact SD-CD1 3.95Å
340	G	96	Very high	95.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	157	173.7	0	0	0	0	0	111.9	M301 V302	M301-G340 CarbonylContact C-O 3.56Å; M301-G340 WeakPolarHBondContact CA-O 3.38Å; V302-G340 PolarHBondContact N-O 3.36Å; V302-G340 PolarHBondContact O-N 2.95Å
341	E	94.6	Very high	95.6	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.065	26%	0.26	C	S	.	.			trans	-68.3	151.3	173.6	69.5	-156.2	155.8	0	0	112.7	F190 I191 R225 L293 V302 A343 M344	F190-E341 WeakPolarHBondContact CA-OE1 3.47Å; F190-E341 VanDerWaalsContact CB-OE1 3.25Å; F190-E341 WeakPolarHBondContact CB-OE1 3.35Å; F190-E341 HydrophobicContact CD1-CG 4.33Å; F190-E341 VanDerWaalsContact CD1-OE1 3.28Å; F190-E341 WeakPolarHBondContact CD1-OE1 3.4Å; I191-E341 PolarHBondContact N-OE1 2.76Å; I191-E341 PolarHBondContact O-N 2.94Å; I191-E341 VanDerWaalsContact O-N 3.1Å; R225-E341 IonicContact CZ-OE1 3.88Å; R225-E341 IonicContact CZ-OE2 3.72Å; R225-E341 IonicContact NE-OE1 2.9Å; R225-E341 IonicContact NH1-OE1 2.61Å; R225-E341 PolarHBondContact NH1-OE1 2.71Å; R225-E341 IonicContact NH1-OE2 2.71Å; R225-E341 PolarHBondContact NH1-OE2 3.17Å; R225-E341 VanDerWaalsContact NH2-CD 3.29Å; R225-E341 IonicContact NH2-OE1 3.47Å; R225-E341 PolarHBondContact NH2-OE1 3.27Å; R225-E341 IonicContact NH2-OE2 3.68Å; R225-E341 PolarHBondContact NH2-OE2 3.32Å; L293-E341 HydrophobicContact CD2-CB 3.6Å; V302-E341 WeakPolarHBondContact CG2-O 3.42Å; E341-A343 HydrophobicContact CG-CB 4.4Å; E341-A343 PolarHBondContact O-N 2.91Å; E341-M344 HydrophobicContact CG-CG 4.13Å; E341-M344 VanDerWaalsContact O-CB 3.3Å; E341-M344 WeakPolarHBondContact O-CB 3.3Å; E341-M344 WeakPolarHBondContact O-CG 3.42Å; E341-M344 PolarHBondContact O-N 3.19Å
342	A	93.1	Very high	95.7	Very high	32 Å²	32	47.4 Å²	47.4	26%	0.264	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-52.1	-31.5	-173.7	0	0	0	0	0	114.8	E300 M344 R345	E300-A342 HydrophobicContact CB-CB 4.06Å; A342-M344 PolarHBondContact O-N 3.39Å; A342-M344 VanDerWaalsContact O-N 3.1Å; A342-R345 WeakPolarHBondContact O-CG 3.46Å; A342-R345 PolarHBondContact O-N 3.35Å; A342-R345 VanDerWaalsContact O-N 3.14Å
343	A	94.2	Very high	95.7	Very high	8 Å²	8	47.5 Å²	47.5	7%	0.066	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.3	-21.4	177.8	0	0	0	0	0	113.7	F190 R225 E341 R345 N346	F190-A343 HydrophobicContact CD1-CB 4.38Å; F190-A343 HydrophobicContact CE1-CB 3.96Å; R225-A343 HydrophobicContact CB-CB 3.97Å; E341-A343 HydrophobicContact CG-CB 4.4Å; E341-A343 PolarHBondContact O-N 2.91Å; A343-R345 PolarHBondContact O-N 3.14Å; A343-N346 PolarHBondContact O-N 3.29Å; A343-N346 PolarHBondContact O-ND2 3.19Å
344	M	96.1	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-69.5	-15	178	-64.6	-177.9	73.4	0	0	113.8	F190 A192 V302 V304 E341 A342 N346 I347 L355 L380 L382	F190-M344 HydrophobicContact CB-CE 4.32Å; F190-M344 HydrophobicContact CB-CG 3.87Å; F190-M344 HydrophobicContact CB-SD 3.86Å; F190-M344 HydrophobicContact CD1-CG 3.49Å; F190-M344 VanDerWaalsContact CD1-CG 3.49Å; F190-M344 HydrophobicContact CE1-CG 4.16Å; F190-M344 HydrophobicContact CG-CG 3.77Å; F190-M344 HydrophobicContact CG-SD 4.41Å; A192-M344 HydrophobicContact CB-CE 4.46Å; A192-M344 HydrophobicContact CB-SD 4.24Å; V302-M344 HydrophobicContact CB-CB 4.43Å; V302-M344 HydrophobicContact CG2-CB 4.16Å; V304-M344 HydrophobicContact CG2-CE 4.02Å; V304-M344 HydrophobicContact CG2-SD 4.45Å; E341-M344 HydrophobicContact CG-CG 4.13Å; E341-M344 VanDerWaalsContact O-CB 3.3Å; E341-M344 WeakPolarHBondContact O-CB 3.3Å; E341-M344 WeakPolarHBondContact O-CG 3.42Å; E341-M344 PolarHBondContact O-N 3.19Å; A342-M344 PolarHBondContact O-N 3.39Å; A342-M344 VanDerWaalsContact O-N 3.1Å; M344-N346 PolarHBondContact O-N 3.29Å; M344-N346 VanDerWaalsContact O-N 3.15Å; M344-I347 HydrophobicContact CB-CD1 3.8Å; M344-I347 HydrophobicContact CE-CD1 3.99Å; M344-I347 HydrophobicContact CG-CD1 3.9Å; M344-I347 WeakPolarHBondContact O-CB 3.45Å; M344-I347 WeakPolarHBondContact O-CG1 3.45Å; M344-I347 PolarHBondContact O-N 2.72Å; M344-L355 HydrophobicContact CE-CD2 3.62Å; M344-L355 HydrophobicContact SD-CD2 4.46Å; M344-L380 HydrophobicContact CB-CD2 4.21Å; M344-L380 HydrophobicContact CE-CD2 3.74Å; M344-L382 HydrophobicContact CE-CD1 3.96Å
345	R	94.3	Very high	95.6	Very high	56 Å²	56	43.1 Å²	43.1	21%	0.211	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-58	-25.7	173.2	-65.2	-179.3	-176.1	-109.9	-13.9	112.9	E300 M301 V302 A342 A343 Y367	E300-R345 PolarHBondContact O-NE 3.18Å; E300-R345 VanDerWaalsContact O-NE 3.16Å; E300-R345 PolarHBondContact O-NH2 2.88Å; E300-R345 IonicContact OE2-NE 3.11Å; M301-R345 PolarHBondContact O-NH2 3Å; V302-R345 HydrophobicContact CG2-CG 3.47Å; V302-R345 VanDerWaalsContact CG2-CG 3.47Å; A342-R345 WeakPolarHBondContact O-CG 3.46Å; A342-R345 PolarHBondContact O-N 3.35Å; A342-R345 VanDerWaalsContact O-N 3.14Å; A343-R345 PolarHBondContact O-N 3.14Å; R345-Y367 HydrophobicContact CB-CD1 4.35Å; R345-Y367 HydrophobicContact CG-CD1 3.95Å; R345-Y367 HydrophobicContact CG-CE1 4.25Å
346	N	94.5	Very high	95.5	Very high	123 Å²	123	40.1 Å²	40.1	66%	0.658	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-87.2	-5.2	-176.6	-58.4	-61.4	0	0	0	114.1	A343 M344 Q348	A343-N346 PolarHBondContact O-N 3.29Å; A343-N346 PolarHBondContact O-ND2 3.19Å; M344-N346 PolarHBondContact O-N 3.29Å; M344-N346 VanDerWaalsContact O-N 3.15Å; N346-Q348 PolarHBondContact O-N 3.32Å; N346-Q348 PolarHBondContact O-NE2 2.88Å
347	I	96.5	Very high	95.2	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-67.4	127.1	-179	-65.3	170.6	0	0	0	109.7	F190 M344 D351 V353 C363 L380	F190-I347 HydrophobicContact CD2-CD1 4.13Å; F190-I347 HydrophobicContact CE2-CD1 3.92Å; F190-I347 HydrophobicContact CE2-CG1 4.17Å; F190-I347 HydrophobicContact CZ-CD1 4.17Å; F190-I347 HydrophobicContact CZ-CG1 4.13Å; M344-I347 HydrophobicContact CB-CD1 3.8Å; M344-I347 HydrophobicContact CE-CD1 3.99Å; M344-I347 HydrophobicContact CG-CD1 3.9Å; M344-I347 WeakPolarHBondContact O-CB 3.45Å; M344-I347 WeakPolarHBondContact O-CG1 3.45Å; M344-I347 PolarHBondContact O-N 2.72Å; I347-D351 HydrophobicContact CG2-CB 3.93Å; I347-V353 HydrophobicContact CD1-CG1 3.99Å; I347-V353 HydrophobicContact CG1-CG1 4.27Å; I347-V353 HydrophobicContact CG2-CG1 4.27Å; I347-C363 HydrophobicContact CG2-CB 3.65Å; I347-L380 HydrophobicContact CB-CD1 4.15Å; I347-L380 HydrophobicContact CD1-CD2 3.9Å; I347-L380 HydrophobicContact CG2-CD1 4.13Å
348	Q	96.9	Very high	95	Very high	110 Å²	110	38.8 Å²	38.8	51%	0.514	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-99.4	161.6	-177.7	-58.7	-54	-54.4	0	0	112.3	N346 G350 D351 C363	N346-Q348 PolarHBondContact O-N 3.32Å; N346-Q348 PolarHBondContact O-NE2 2.88Å; Q348-G350 PolarHBondContact O-N 3.43Å; Q348-D351 PolarHBondContact N-OD2 3.41Å; Q348-D351 VanDerWaalsContact O-CB 3.26Å; Q348-D351 WeakPolarHBondContact O-CB 3.14Å; Q348-D351 PolarHBondContact O-N 3.5Å; Q348-C363 VanDerWaalsContact O-CB 3.24Å; Q348-C363 WeakPolarHBondContact O-CB 3.46Å
349	K	96.6	Very high	94.7	Very high	130 Å²	130	40.1 Å²	40.1	57%	0.565	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	127.2	-179.5	-174	169	178.7	122.1	0	110	D364 P366	K349-D364 VanDerWaalsContact CD-O 3.32Å; K349-D364 WeakPolarHBondContact CD-O 3.1Å; K349-D364 VanDerWaalsContact CE-O 3.24Å; K349-D364 WeakPolarHBondContact CE-O 3.28Å; K349-D364 PolarHBondContact NZ-O 3.3Å; K349-D364 IonicContact NZ-OD1 2.99Å; K349-D364 PolarHBondContact NZ-OD1 2.78Å; K349-P366 HydrophobicContact CB-CG 4.01Å
350	G	95.6	Very high	94.7	Very high	41 Å²	41	39 Å²	39	42%	0.423	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-9.3	-176.3	0	0	0	0	0	114.9	Q348 I352 C363	Q348-G350 PolarHBondContact O-N 3.43Å; G350-I352 PolarHBondContact O-N 2.87Å; G350-C363 PolarHBondContact N-O 2.91Å
351	D	95.6	Very high	94.7	Very high	70 Å²	70	39 Å²	39	37%	0.374	21%	0.206	S	C	.	.			trans	-61.6	131.9	172.2	-75.7	-10.8	0	0	0	110.1	I347 Q348 V353 I362 C363	I347-D351 HydrophobicContact CG2-CB 3.93Å; Q348-D351 PolarHBondContact N-OD2 3.41Å; Q348-D351 VanDerWaalsContact O-CB 3.26Å; Q348-D351 WeakPolarHBondContact O-CB 3.14Å; Q348-D351 PolarHBondContact O-N 3.5Å; D351-V353 HydrophobicContact CB-CG1 4.5Å; D351-I362 CarbonylContact O-C 3.47Å; D351-I362 WeakPolarHBondContact O-CA 3.22Å; D351-C363 PolarHBondContact O-N 3.43Å
352	I	95.4	Very high	94.8	Very high	33 Å²	33	39.1 Å²	39.1	17%	0.169	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.1	172.4	-55.6	-179.4	0	0	0	108.8	T144 I183 G350 F361 I362 V385	T144-I352 HydrophobicContact CG2-CD1 3.88Å; I183-I352 HydrophobicContact CD1-CD1 3.86Å; I183-I352 HydrophobicContact CD1-CG2 4.11Å; I183-I352 HydrophobicContact CG1-CD1 4.08Å; I183-I352 HydrophobicContact CG1-CG2 4.2Å; I183-I352 HydrophobicContact CG2-CG2 3.7Å; G350-I352 PolarHBondContact O-N 2.87Å; I352-F361 CarbonylContact C-O 3.54Å; I352-F361 WeakPolarHBondContact CA-O 3.47Å; I352-I362 HydrophobicContact CG1-CB 4.16Å; I352-I362 HydrophobicContact CG1-CD1 4.1Å; I352-I362 HydrophobicContact CG1-CG1 4.08Å; I352-V385 HydrophobicContact CG2-CG2 4.35Å
353	V	95.5	Very high	95	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	158.3	-176.3	-53.9	0	0	0	0	110.9	P188 F190 I347 D351 F360 F361 L382	P188-V353 HydrophobicContact CG-CG1 4.1Å; F190-V353 HydrophobicContact CD2-CB 3.96Å; F190-V353 HydrophobicContact CD2-CG1 4.12Å; F190-V353 HydrophobicContact CE2-CB 4.17Å; F190-V353 HydrophobicContact CE2-CG1 3.84Å; I347-V353 HydrophobicContact CD1-CG1 3.99Å; I347-V353 HydrophobicContact CG1-CG1 4.27Å; I347-V353 HydrophobicContact CG2-CG1 4.27Å; D351-V353 HydrophobicContact CB-CG1 4.5Å; V353-F360 CarbonylContact O-C 3.57Å; V353-F360 WeakPolarHBondContact O-CA 3.23Å; V353-F361 HydrophobicContact CG2-CB 4.31Å; V353-F361 PolarHBondContact N-O 2.96Å; V353-F361 PolarHBondContact O-N 2.99Å; V353-L382 HydrophobicContact CG2-CD1 4.43Å
354	Q	95.1	Very high	95.2	Very high	31 Å²	31	38.3 Å²	38.3	15%	0.145	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.3	167.3	-164.9	-175.3	15.8	0	0	109.7	P188 R189 F190 G359 F360	P188-Q354 PolarHBondContact O-N 2.79Å; R189-Q354 CarbonylContact C-O 3.56Å; R189-Q354 WeakPolarHBondContact CA-O 3.23Å; R189-Q354 HydrophobicContact CG-CB 4.13Å; R189-Q354 VanDerWaalsContact NE-OE1 3.16Å; F190-Q354 PolarHBondContact N-O 2.78Å; Q354-G359 CarbonylContact C-O 3.59Å; Q354-G359 WeakPolarHBondContact CA-O 3.29Å; Q354-G359 WeakPolarHBondContact CG-O 3.42Å; Q354-F360 HydrophobicContact CB-CD1 3.79Å; Q354-F360 HydrophobicContact CB-CE1 3.68Å; Q354-F360 HydrophobicContact CG-CD1 3.94Å; Q354-F360 HydrophobicContact CG-CE1 3.72Å; Q354-F360 HydrophobicContact CG-CZ 4.17Å
355	L	95.5	Very high	95.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.5	162.2	-60.9	-173.5	0	0	0	107.8	F190 A192 M338 M344 R357 K358 G359 F361 L382	F190-L355 HydrophobicContact CB-CD2 4.27Å; A192-L355 HydrophobicContact CB-CD1 4.26Å; A192-L355 HydrophobicContact CB-CD2 4.06Å; M338-L355 HydrophobicContact SD-CD1 3.96Å; M344-L355 HydrophobicContact CE-CD2 3.62Å; M344-L355 HydrophobicContact SD-CD2 4.46Å; L355-R357 PolarHBondContact O-N 3.17Å; L355-K358 HydrophobicContact CB-CB 3.87Å; L355-K358 PolarHBondContact O-N 3.2Å; L355-G359 PolarHBondContact N-O 3.05Å; L355-G359 PolarHBondContact O-N 2.65Å; L355-F361 HydrophobicContact CB-CD2 3.97Å; L355-F361 HydrophobicContact CB-CE2 3.92Å; L355-F361 HydrophobicContact CD1-CD2 3.67Å; L355-F361 HydrophobicContact CD1-CE2 3.68Å; L355-F361 HydrophobicContact CD1-CG 4.18Å; L355-F361 HydrophobicContact CD1-CZ 4.17Å; L355-F361 HydrophobicContact CG-CD2 3.59Å; L355-F361 HydrophobicContact CG-CE2 3.9Å; L355-F361 HydrophobicContact CG-CG 4.33Å; L355-L382 HydrophobicContact CD1-CD1 4.03Å; L355-L382 HydrophobicContact CD2-CD1 4.19Å; L355-L382 HydrophobicContact CG-CD1 4.37Å
356	Q	93.4	Very high	95.3	Very high	29 Å²	29	40.1 Å²	40.1	14%	0.136	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	139.3	-177	-66.8	-161.1	82.8	0	0	110.7	R189 F190 T291 K358	R189-Q356 HydrophobicContact CB-CG 4.06Å; F190-Q356 PolarHBondContact O-N 2.98Å; T291-Q356 HydrophobicContact CG2-CB 3.71Å; Q356-K358 PolarHBondContact O-N 3.12Å
357	R	91.1	Very high	95.3	Very high	91 Å²	91	36 Å²	36	34%	0.343	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	-7	-169.7	-61.7	169.1	60.2	81.9	11.2	116.2	D239 K289 T291 L355	D239-R357 IonicContact OD1-CZ 3.84Å; D239-R357 IonicContact OD1-NE 2.96Å; D239-R357 IonicContact OD1-NH2 2.77Å; D239-R357 PolarHBondContact OD1-NH2 3.16Å; D239-R357 IonicContact OD2-CZ 3.47Å; D239-R357 IonicContact OD2-NE 3.01Å; D239-R357 PolarHBondContact OD2-NE 3.09Å; D239-R357 VanDerWaalsContact OD2-NE 3.17Å; D239-R357 IonicContact OD2-NH2 3.73Å; D239-R357 PolarHBondContact OD2-NH2 2.99Å; K289-R357 WeakPolarHBondContact O-CD 3.33Å; K289-R357 PolarHBondContact O-NH1 3.49Å; T291-R357 HydrophobicContact CG2-CG 4.38Å; L355-R357 PolarHBondContact O-N 3.17Å
358	K	91.6	Very high	95.2	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.035	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-28.9	-175	-63.4	-175.1	-172.2	-68	0	115.7	A192 C194 E236 M338 L355 Q356 F361 P394 T395 L397	A192-K358 WeakPolarHBondContact O-CE 3.38Å; C194-K358 PolarHBondContact SG-NZ 3.41Å; E236-K358 WeakPolarHBondContact OE1-CE 3.26Å; E236-K358 IonicContact OE1-NZ 3.55Å; E236-K358 PolarHBondContact OE1-NZ 3.4Å; E236-K358 WeakPolarHBondContact OE2-CE 3.35Å; E236-K358 IonicContact OE2-NZ 3.11Å; E236-K358 PolarHBondContact OE2-NZ 3.34Å; M338-K358 HydrophobicContact CE-CD 3.67Å; M338-K358 HydrophobicContact SD-CD 4.19Å; L355-K358 HydrophobicContact CB-CB 3.87Å; L355-K358 PolarHBondContact O-N 3.2Å; Q356-K358 PolarHBondContact O-N 3.12Å; K358-F361 HydrophobicContact CB-CE2 4.28Å; K358-P394 HydrophobicContact CB-CB 4.36Å; K358-P394 VanDerWaalsContact O-CB 3.25Å; K358-P394 WeakPolarHBondContact O-CB 3.14Å; K358-P394 WeakPolarHBondContact O-CG 3.43Å; K358-T395 PolarHBondContact NZ-O 2.87Å; K358-L397 HydrophobicContact CD-CD1 4.39Å
359	G	92.1	Very high	94.7	Very high	27 Å²	27	38.3 Å²	38.3	28%	0.278	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-162.4	175	0	0	0	0	0	114	Q354 L355	Q354-G359 CarbonylContact C-O 3.59Å; Q354-G359 WeakPolarHBondContact CA-O 3.29Å; Q354-G359 WeakPolarHBondContact CG-O 3.42Å; L355-G359 PolarHBondContact N-O 3.05Å; L355-G359 PolarHBondContact O-N 2.65Å
360	F	94.2	Very high	94.3	Very high	10 Å²	10	39.5 Å²	39.5	4%	0.044	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.5	175.2	-65	-76.8	0	0	0	110.5	R174 I183 D184 A187 V353 Q354 V385	R174-F360 HydrophobicContact CG-CE2 4.34Å; I183-F360 HydrophobicContact CG2-CB 4.35Å; I183-F360 HydrophobicContact CG2-CD1 3.38Å; I183-F360 HydrophobicContact CG2-CD2 4.43Å; I183-F360 HydrophobicContact CG2-CE1 3.69Å; I183-F360 HydrophobicContact CG2-CG 3.79Å; I183-F360 HydrophobicContact CG2-CZ 4.35Å; D184-F360 HydrophobicContact CB-CZ 3.88Å; A187-F360 HydrophobicContact CB-CD1 4.12Å; A187-F360 HydrophobicContact CB-CE1 3.99Å; V353-F360 CarbonylContact O-C 3.57Å; V353-F360 WeakPolarHBondContact O-CA 3.23Å; Q354-F360 HydrophobicContact CB-CD1 3.79Å; Q354-F360 HydrophobicContact CB-CE1 3.68Å; Q354-F360 HydrophobicContact CG-CD1 3.94Å; Q354-F360 HydrophobicContact CG-CE1 3.72Å; Q354-F360 HydrophobicContact CG-CZ 4.17Å; F360-V385 HydrophobicContact CB-CB 4.02Å; F360-V385 PolarHBondContact O-N 2.78Å
361	F	96.3	Very high	93.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	144.2	-178.5	-66.9	-98.1	0	0	0	110.2	A306 I352 V353 L355 K358 L382 F383 D384	A306-F361 HydrophobicContact CB-CD1 4.47Å; A306-F361 HydrophobicContact CB-CE1 3.94Å; I352-F361 CarbonylContact C-O 3.54Å; I352-F361 WeakPolarHBondContact CA-O 3.47Å; V353-F361 HydrophobicContact CG2-CB 4.31Å; V353-F361 PolarHBondContact N-O 2.96Å; V353-F361 PolarHBondContact O-N 2.99Å; L355-F361 HydrophobicContact CB-CD2 3.97Å; L355-F361 HydrophobicContact CB-CE2 3.92Å; L355-F361 HydrophobicContact CD1-CD2 3.67Å; L355-F361 HydrophobicContact CD1-CE2 3.68Å; L355-F361 HydrophobicContact CD1-CG 4.18Å; L355-F361 HydrophobicContact CD1-CZ 4.17Å; L355-F361 HydrophobicContact CG-CD2 3.59Å; L355-F361 HydrophobicContact CG-CE2 3.9Å; L355-F361 HydrophobicContact CG-CG 4.33Å; K358-F361 HydrophobicContact CB-CE2 4.28Å; F361-L382 HydrophobicContact CB-CB 3.99Å; F361-L382 HydrophobicContact CB-CD1 4.28Å; F361-L382 HydrophobicContact CD1-CB 4.02Å; F361-L382 HydrophobicContact CG-CB 4.3Å; F361-F383 CarbonylContact C-O 3.58Å; F361-F383 WeakPolarHBondContact CA-O 3.27Å; F361-D384 HydrophobicContact CD1-CB 4.01Å; F361-D384 HydrophobicContact CE1-CB 3.7Å; F361-D384 HydrophobicContact CZ-CB 4.25Å
362	I	96.9	Very high	93.5	Very high	16 Å²	16	40.8 Å²	40.8	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.9	169.4	-173.7	164.7	0	0	0	109.9	R140 D351 I352 D364 L382 F383 V385	R140-I362 WeakPolarHBondContact O-CG2 3.2Å; D351-I362 CarbonylContact O-C 3.47Å; D351-I362 WeakPolarHBondContact O-CA 3.22Å; I352-I362 HydrophobicContact CG1-CB 4.16Å; I352-I362 HydrophobicContact CG1-CD1 4.1Å; I352-I362 HydrophobicContact CG1-CG1 4.08Å; I362-D364 PolarHBondContact O-N 2.74Å; I362-L382 CarbonylContact O-C 3.58Å; I362-L382 WeakPolarHBondContact O-CA 3.46Å; I362-F383 HydrophobicContact CG2-CB 3.99Å; I362-F383 PolarHBondContact N-O 3.17Å; I362-F383 PolarHBondContact O-N 2.82Å; I362-V385 HydrophobicContact CB-CG2 4.1Å; I362-V385 HydrophobicContact CG2-CG2 4.2Å
363	C	98.1	Very high	93.2	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	114.2	174.2	179.9	0	0	0	0	111.3	I347 Q348 G350 D351 P366 L382	I347-C363 HydrophobicContact CG2-CB 3.65Å; Q348-C363 VanDerWaalsContact O-CB 3.24Å; Q348-C363 WeakPolarHBondContact O-CB 3.46Å; G350-C363 PolarHBondContact N-O 2.91Å; D351-C363 PolarHBondContact O-N 3.43Å; C363-P366 VanDerWaalsContact SG-N 3.45Å; C363-L382 HydrophobicContact CB-CD2 4Å
364	D	97.8	Very high	93	Very high	20 Å²	20	53.5 Å²	53.5	11%	0.107	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-34.5	170.7	-170.2	43.4	0	0	0	111.4	R140 K349 I362 V381 F383	R140-D364 IonicContact CZ-OD1 3.4Å; R140-D364 IonicContact CZ-OD2 3.46Å; R140-D364 IonicContact NE-OD1 2.54Å; R140-D364 PolarHBondContact NE-OD1 3.4Å; R140-D364 IonicContact NE-OD2 3.63Å; R140-D364 PolarHBondContact NE-OD2 2.76Å; R140-D364 IonicContact NH2-OD1 2.5Å; R140-D364 IonicContact NH2-OD2 2.67Å; R140-D364 PolarHBondContact NH2-OD2 3.02Å; K349-D364 VanDerWaalsContact CD-O 3.32Å; K349-D364 WeakPolarHBondContact CD-O 3.1Å; K349-D364 VanDerWaalsContact CE-O 3.24Å; K349-D364 WeakPolarHBondContact CE-O 3.28Å; K349-D364 PolarHBondContact NZ-O 3.3Å; K349-D364 IonicContact NZ-OD1 2.99Å; K349-D364 PolarHBondContact NZ-OD1 2.78Å; I362-D364 PolarHBondContact O-N 2.74Å; D364-V381 PolarHBondContact N-O 2.72Å; D364-F383 HydrophobicContact CB-CD1 4.2Å; D364-F383 HydrophobicContact CB-CD2 3.89Å; D364-F383 HydrophobicContact CB-CE1 3.96Å; D364-F383 HydrophobicContact CB-CE2 3.63Å; D364-F383 HydrophobicContact CB-CG 4.19Å; D364-F383 HydrophobicContact CB-CZ 3.68Å; D364-F383 VanDerWaalsContact CG-CE2 3.46Å; D364-F383 WeakPolarHBondContact OD2-CE2 3.19Å; D364-F383 WeakPolarHBondContact OD2-CZ 3.4Å
365	Q	95.8	Very high	92.6	Very high	72 Å²	72	54.4 Å²	54.4	34%	0.336	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	118.7	176.1	174.6	53.1	49.1	0	0	109.9	F378 V381	Q365-F378 HydrophobicContact CG-CD1 3.73Å; Q365-F378 HydrophobicContact CG-CE1 3.66Å; Q365-V381 HydrophobicContact CB-CB 3.92Å; Q365-V381 HydrophobicContact CB-CG2 3.93Å; Q365-V381 HydrophobicContact CG-CG2 4.45Å; Q365-V381 PolarHBondContact N-O 3.14Å; Q365-V381 PolarHBondContact O-N 3.24Å
366	P	96.8	Very high	92.2	Very high	23 Å²	23	63.1 Å²	63.1	15%	0.149	32%	0.316	C	S	.	.			trans	-57.3	153.1	172.2	-29.4	38.2	0	0	0	112.6	K349 C363 C368	K349-P366 HydrophobicContact CB-CG 4.01Å; C363-P366 VanDerWaalsContact SG-N 3.45Å; P366-C368 PolarHBondContact O-N 3.13Å
367	Y	95.2	Very high	91.9	Very high	37 Å²	37	65.9 Å²	65.9	15%	0.145	34%	0.336	C	S	.	.			trans	-57.7	136.7	167.7	-179.7	-104.5	0	0	0	110	V302 R345 E369 F378	V302-Y367 HydrophobicContact CG1-CD2 3.6Å; V302-Y367 HydrophobicContact CG1-CE2 4.18Å; V302-Y367 HydrophobicContact CG1-CG 3.83Å; R345-Y367 HydrophobicContact CB-CD1 4.35Å; R345-Y367 HydrophobicContact CG-CD1 3.95Å; R345-Y367 HydrophobicContact CG-CE1 4.25Å; Y367-E369 HydrophobicContact CE1-CB 4.01Å; Y367-F378 VanDerWaalsContact CD2-O 3.3Å; Y367-F378 WeakPolarHBondContact CD2-O 3.39Å
368	C	93	Very high	92	Very high	38 Å²	38	65.6 Å²	65.6	26%	0.257	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-130.8	119.3	173.8	-166.2	0	0	0	0	108.9	P366 K370 P377 F378	P366-C368 PolarHBondContact O-N 3.13Å; C368-K370 VanDerWaalsContact C-N 3.33Å; C368-K370 PolarHBondContact O-N 2.92Å; C368-K370 VanDerWaalsContact SG-C 3.59Å; C368-K370 PolarHBondContact SG-O 3.37Å; C368-K370 VanDerWaalsContact SG-O 3.39Å; C368-P377 CarbonylContact O-C 3.51Å; C368-P377 VanDerWaalsContact O-CA 3.31Å; C368-P377 WeakPolarHBondContact O-CA 3.45Å; C368-F378 HydrophobicContact CB-CB 4.05Å; C368-F378 PolarHBondContact N-O 3.5Å; C368-F378 VanDerWaalsContact N-O 3.07Å; C368-F378 PolarHBondContact O-N 3.41Å
369	E	87.5	Confident	92.1	Very high	124 Å²	124	66.3 Å²	66.3	58%	0.579	34%	0.343	S	S	*	.	S	Bend	trans	-70.2	-32.4	-178	-167	-176.2	152.2	0	0	112.6	Y367 P377	Y367-E369 HydrophobicContact CE1-CB 4.01Å; E369-P377 VanDerWaalsContact O-CA 3.24Å; E369-P377 WeakPolarHBondContact O-CA 3.34Å; E369-P377 WeakPolarHBondContact O-CG 3.34Å
370	K	88.3	Confident	92.4	Very high	155 Å²	155	65 Å²	65	67%	0.674	33%	0.33	S	S	*	.	S	Bend	trans	-138.5	96.6	173.3	-72.8	179.3	179.9	169.3	0	109.1	C368	C368-K370 VanDerWaalsContact C-N 3.33Å; C368-K370 PolarHBondContact O-N 2.92Å; C368-K370 VanDerWaalsContact SG-C 3.59Å; C368-K370 PolarHBondContact SG-O 3.37Å; C368-K370 VanDerWaalsContact SG-O 3.39Å
371	D	87.2	Confident	92.6	Very high	27 Å²	27	65.4 Å²	65.4	14%	0.144	33%	0.333	C	S	.	.			trans	-56.7	131.2	172.5	165.7	-107.8	0	0	0	110.7	Y373 T374 G375 R376 F378	D371-Y373 PolarHBondContact O-N 3.37Å; D371-Y373 VanDerWaalsContact O-N 3.11Å; D371-Y373 PolarHBondContact OD1-N 3.33Å; D371-Y373 VanDerWaalsContact OD1-N 3.17Å; D371-T374 WeakPolarHBondContact CB-OG1 3.23Å; D371-T374 WeakPolarHBondContact OD1-CB 3.42Å; D371-T374 WeakPolarHBondContact OD1-CG2 3.47Å; D371-T374 PolarHBondContact OD1-N 3.24Å; D371-T374 PolarHBondContact OD1-OG1 3.08Å; D371-G375 WeakPolarHBondContact O-CA 3.42Å; D371-G375 PolarHBondContact O-N 3.49Å; D371-R376 WeakPolarHBondContact CB-O 3.31Å; D371-R376 PolarHBondContact N-O 3.3Å; D371-F378 HydrophobicContact CB-CB 4.28Å
372	P	86.1	Confident	92.7	Very high	111 Å²	111	65.3 Å²	65.3	72%	0.721	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.5	-175.7	-27.3	35.7	0	0	0	115.7
373	Y	89.6	Confident	92.7	Very high	215 Å²	215	64.5 Å²	64.5	84%	0.843	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-34.7	-174	-56.3	-79.3	0	0	0	112.9	D371	D371-Y373 PolarHBondContact O-N 3.37Å; D371-Y373 VanDerWaalsContact O-N 3.11Å; D371-Y373 PolarHBondContact OD1-N 3.33Å; D371-Y373 VanDerWaalsContact OD1-N 3.17Å
374	T	90.8	Very high	92.6	Very high	85 Å²	85	65.3 Å²	65.3	52%	0.521	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-16.4	-175.4	63.2	0	0	0	0	113.7	D371 R376	D371-T374 WeakPolarHBondContact CB-OG1 3.23Å; D371-T374 WeakPolarHBondContact OD1-CB 3.42Å; D371-T374 WeakPolarHBondContact OD1-CG2 3.47Å; D371-T374 PolarHBondContact OD1-N 3.24Å; D371-T374 PolarHBondContact OD1-OG1 3.08Å; T374-R376 PolarHBondContact O-N 3.01Å
375	G	87.9	Confident	92.4	Very high	51 Å²	51	64.8 Å²	64.8	53%	0.526	33%	0.33	S	S	.	.	S	Bend	trans	67.8	8.8	-175.8	0	0	0	0	0	114.6	D371	D371-G375 WeakPolarHBondContact O-CA 3.42Å; D371-G375 PolarHBondContact O-N 3.49Å
376	R	87.1	Confident	92.2	Very high	183 Å²	183	62.7 Å²	62.7	69%	0.691	32%	0.323	S	S	*	.	S	Bend	trans	-106.7	159.2	-176.1	-65.7	179.3	-175.9	-168.4	0.1	111.3	D371 T374 F378	D371-R376 WeakPolarHBondContact CB-O 3.31Å; D371-R376 PolarHBondContact N-O 3.3Å; T374-R376 PolarHBondContact O-N 3.01Å; R376-F378 PolarHBondContact O-N 3.44Å
377	P	86.4	Confident	91.3	Very high	86 Å²	86	62.7 Å²	62.7	56%	0.558	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-61.2	127.8	168.7	-21.2	32.3	0	0	0	111.3	C368 E369	C368-P377 CarbonylContact O-C 3.51Å; C368-P377 VanDerWaalsContact O-CA 3.31Å; C368-P377 WeakPolarHBondContact O-CA 3.45Å; E369-P377 VanDerWaalsContact O-CA 3.24Å; E369-P377 WeakPolarHBondContact O-CA 3.34Å; E369-P377 WeakPolarHBondContact O-CG 3.34Å
378	F	92.6	Very high	90.2	Very high	85 Å²	85	61.4 Å²	61.4	37%	0.373	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-102.4	130.2	171.8	-156.2	-84.8	0	0	0	109.5	Q365 Y367 C368 D371 R376 V381	Q365-F378 HydrophobicContact CG-CD1 3.73Å; Q365-F378 HydrophobicContact CG-CE1 3.66Å; Y367-F378 VanDerWaalsContact CD2-O 3.3Å; Y367-F378 WeakPolarHBondContact CD2-O 3.39Å; C368-F378 HydrophobicContact CB-CB 4.05Å; C368-F378 PolarHBondContact N-O 3.5Å; C368-F378 VanDerWaalsContact N-O 3.07Å; C368-F378 PolarHBondContact O-N 3.41Å; D371-F378 HydrophobicContact CB-CB 4.28Å; R376-F378 PolarHBondContact O-N 3.44Å; F378-V381 HydrophobicContact CE1-CG2 4.08Å
379	P	95.5	Very high	89	Confident	24 Å²	24	66 Å²	66	16%	0.156	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-66.9	154.8	-176.7	28.2	-36.1	0	0	0	112.6	L303 V305 V381	L303-P379 HydrophobicContact CB-CB 4.27Å; L303-P379 HydrophobicContact CD2-CB 4.07Å; L303-P379 HydrophobicContact CG-CB 3.95Å; L303-P379 CarbonylContact O-C 3.47Å; L303-P379 VanDerWaalsContact O-CA 3.27Å; L303-P379 WeakPolarHBondContact O-CA 3.19Å; L303-P379 WeakPolarHBondContact O-CB 3.44Å; V305-P379 HydrophobicContact CG2-CB 3.89Å; V305-P379 HydrophobicContact CG2-CG 3.82Å; P379-V381 PolarHBondContact O-N 2.83Å
380	L	97.6	Very high	87.5	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	117.5	164	179.6	70.7	0	0	0	108.6	V302 L303 V304 V305 M344 I347 L382	V302-L380 HydrophobicContact CG1-CB 4.28Å; L303-L380 PolarHBondContact O-N 2.83Å; V304-L380 CarbonylContact C-O 3.52Å; V304-L380 WeakPolarHBondContact CA-O 3.11Å; V304-L380 HydrophobicContact CG1-CD2 4.44Å; V304-L380 HydrophobicContact CG2-CB 4.21Å; V304-L380 HydrophobicContact CG2-CD2 4.1Å; V305-L380 PolarHBondContact N-O 3.15Å; M344-L380 HydrophobicContact CB-CD2 4.21Å; M344-L380 HydrophobicContact CE-CD2 3.74Å; I347-L380 HydrophobicContact CB-CD1 4.15Å; I347-L380 HydrophobicContact CD1-CD2 3.9Å; I347-L380 HydrophobicContact CG2-CD1 4.13Å; L380-L382 HydrophobicContact CD1-CD2 4.29Å; L380-L382 HydrophobicContact CD2-CD1 4.11Å; L380-L382 HydrophobicContact CD2-CD2 3.98Å; L380-L382 HydrophobicContact CD2-CG 4.04Å; L380-L382 HydrophobicContact CG-CD2 3.92Å; L380-L382 HydrophobicContact CG-CG 4.02Å
381	V	97.9	Very high	85.7	Confident	17 Å²	17	67.1 Å²	67.1	10%	0.103	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.9	176.4	-171.4	0	0	0	0	109.9	V305 D364 Q365 F378 P379 F383	V305-V381 WeakPolarHBondContact O-CA 3.37Å; D364-V381 PolarHBondContact N-O 2.72Å; Q365-V381 HydrophobicContact CB-CB 3.92Å; Q365-V381 HydrophobicContact CB-CG2 3.93Å; Q365-V381 HydrophobicContact CG-CG2 4.45Å; Q365-V381 PolarHBondContact N-O 3.14Å; Q365-V381 PolarHBondContact O-N 3.24Å; F378-V381 HydrophobicContact CE1-CG2 4.08Å; P379-V381 PolarHBondContact O-N 2.83Å; V381-F383 HydrophobicContact CG1-CD1 4.11Å; V381-F383 HydrophobicContact CG1-CE1 3.62Å
382	L	98.3	Very high	83.4	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.4	-176.8	-68	-171.9	0	0	0	110	V304 V305 A306 S307 M344 V353 L355 F361 I362 C363 L380	V304-L382 HydrophobicContact CG1-CD1 3.7Å; V304-L382 HydrophobicContact CG1-CG 3.99Å; V305-L382 PolarHBondContact O-N 3.24Å; A306-L382 CarbonylContact C-O 3.57Å; A306-L382 WeakPolarHBondContact CA-O 3.26Å; S307-L382 PolarHBondContact N-O 2.81Å; M344-L382 HydrophobicContact CE-CD1 3.96Å; V353-L382 HydrophobicContact CG2-CD1 4.43Å; L355-L382 HydrophobicContact CD1-CD1 4.03Å; L355-L382 HydrophobicContact CD2-CD1 4.19Å; L355-L382 HydrophobicContact CG-CD1 4.37Å; F361-L382 HydrophobicContact CB-CB 3.99Å; F361-L382 HydrophobicContact CB-CD1 4.28Å; F361-L382 HydrophobicContact CD1-CB 4.02Å; F361-L382 HydrophobicContact CG-CB 4.3Å; I362-L382 CarbonylContact O-C 3.58Å; I362-L382 WeakPolarHBondContact O-CA 3.46Å; C363-L382 HydrophobicContact CB-CD2 4Å; L380-L382 HydrophobicContact CD1-CD2 4.29Å; L380-L382 HydrophobicContact CD2-CD1 4.11Å; L380-L382 HydrophobicContact CD2-CD2 3.98Å; L380-L382 HydrophobicContact CD2-CG 4.04Å; L380-L382 HydrophobicContact CG-CD2 3.92Å; L380-L382 HydrophobicContact CG-CG 4.02Å
383	F	97.8	Very high	81.2	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.6	174	-66	-7.3	0	0	0	109.6	P130 R140 F309 F361 I362 D364 V381	P130-F383 HydrophobicContact CB-CD2 4.38Å; P130-F383 HydrophobicContact CG-CD2 3.48Å; P130-F383 VanDerWaalsContact CG-CD2 3.48Å; P130-F383 HydrophobicContact CG-CE2 3.41Å; P130-F383 VanDerWaalsContact CG-CE2 3.41Å; P130-F383 HydrophobicContact CG-CZ 4.44Å; R140-F383 HydrophobicContact CG-CD2 4.45Å; R140-F383 HydrophobicContact CG-CE2 4.26Å; F309-F383 HydrophobicContact CE2-CB 3.89Å; F309-F383 AromaticContact CE2-CD1 3.71Å; F309-F383 HydrophobicContact CE2-CD1 3.71Å; F309-F383 HydrophobicContact CE2-CD2 4.07Å; F309-F383 HydrophobicContact CE2-CE1 4.2Å; F309-F383 AromaticContact CE2-CG 3.62Å; F309-F383 HydrophobicContact CE2-CG 3.62Å; F309-F383 AromaticContact CZ-CD1 3.81Å; F309-F383 HydrophobicContact CZ-CD1 3.81Å; F309-F383 AromaticContact CZ-CD2 3.93Å; F309-F383 HydrophobicContact CZ-CD2 3.93Å; F309-F383 AromaticContact CZ-CE1 3.83Å; F309-F383 HydrophobicContact CZ-CE1 3.83Å; F309-F383 AromaticContact CZ-CE2 3.94Å; F309-F383 HydrophobicContact CZ-CE2 3.94Å; F309-F383 AromaticContact CZ-CG 3.85Å; F309-F383 HydrophobicContact CZ-CG 3.85Å; F309-F383 AromaticContact CZ-CZ 3.89Å; F309-F383 HydrophobicContact CZ-CZ 3.89Å; F361-F383 CarbonylContact C-O 3.58Å; F361-F383 WeakPolarHBondContact CA-O 3.27Å; I362-F383 HydrophobicContact CG2-CB 3.99Å; I362-F383 PolarHBondContact N-O 3.17Å; I362-F383 PolarHBondContact O-N 2.82Å; D364-F383 HydrophobicContact CB-CD1 4.2Å; D364-F383 HydrophobicContact CB-CD2 3.89Å; D364-F383 HydrophobicContact CB-CE1 3.96Å; D364-F383 HydrophobicContact CB-CE2 3.63Å; D364-F383 HydrophobicContact CB-CG 4.19Å; D364-F383 HydrophobicContact CB-CZ 3.68Å; D364-F383 VanDerWaalsContact CG-CE2 3.46Å; D364-F383 WeakPolarHBondContact OD2-CE2 3.19Å; D364-F383 WeakPolarHBondContact OD2-CZ 3.4Å; V381-F383 HydrophobicContact CG1-CD1 4.11Å; V381-F383 HydrophobicContact CG1-CE1 3.62Å
384	D	95.5	Very high	79.2	Confident	19 Å²	19	66.3 Å²	66.3	10%	0.102	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	144.6	179.4	73.1	-65.5	0	0	0	111.8	R141 S307 Q308 F309 F361	R141-D384 IonicContact CZ-OD1 3.41Å; R141-D384 IonicContact CZ-OD2 3.4Å; R141-D384 VanDerWaalsContact NH1-CG 3.33Å; R141-D384 PolarHBondContact NH1-O 3.04Å; R141-D384 IonicContact NH1-OD1 3.46Å; R141-D384 PolarHBondContact NH1-OD1 3.21Å; R141-D384 IonicContact NH1-OD2 3.85Å; R141-D384 IonicContact NH2-OD1 3.19Å; R141-D384 PolarHBondContact NH2-OD1 2.96Å; R141-D384 IonicContact NH2-OD2 2.67Å; R141-D384 PolarHBondContact NH2-OD2 3.07Å; S307-D384 PolarHBondContact O-N 2.62Å; S307-D384 VanDerWaalsContact O-N 3.07Å; Q308-D384 WeakPolarHBondContact CA-OD1 3.45Å; F309-D384 PolarHBondContact N-OD1 2.87Å; F361-D384 HydrophobicContact CD1-CB 4.01Å; F361-D384 HydrophobicContact CE1-CB 3.7Å; F361-D384 HydrophobicContact CZ-CB 4.25Å
385	V	94.1	Very high	77.3	Confident	8 Å²	8	64.6 Å²	64.6	5%	0.048	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111	173.1	-172.3	0	0	0	0	107.3	W170 I183 I352 F360 I362 G387	W170-V385 HydrophobicContact CE3-CG1 4.29Å; W170-V385 HydrophobicContact CZ3-CG1 4.02Å; I183-V385 HydrophobicContact CD1-CG1 3.97Å; I352-V385 HydrophobicContact CG2-CG2 4.35Å; F360-V385 HydrophobicContact CB-CB 4.02Å; F360-V385 PolarHBondContact O-N 2.78Å; I362-V385 HydrophobicContact CB-CG2 4.1Å; I362-V385 HydrophobicContact CG2-CG2 4.2Å; V385-G387 PolarHBondContact O-N 3.24Å
386	P	90.8	Very high	75.4	Confident	29 Å²	29	63 Å²	63	19%	0.188	32%	0.321	C	S	.	.			trans	-59.3	138.8	-172.6	-26.4	34.4	0	0	0	113.2	W170 G388	W170-P386 HydrophobicContact CB-CB 4.17Å; W170-P386 HydrophobicContact CD2-CB 3.84Å; W170-P386 HydrophobicContact CD2-CG 3.91Å; W170-P386 HydrophobicContact CE3-CB 4.42Å; W170-P386 HydrophobicContact CE3-CG 4.4Å; W170-P386 HydrophobicContact CG-CB 3.66Å; W170-P386 HydrophobicContact CG-CG 4.19Å; W170-P386 HydrophobicContact CZ2-CG 4.25Å; P386-G388 VanDerWaalsContact C-N 3.35Å; P386-G388 PolarHBondContact O-N 3.05Å
387	G	78	Confident	73.6	Confident	23 Å²	23	54.4 Å²	54.4	24%	0.237	29%	0.288	C	S	.	.			trans	-83.1	-0.9	-169.3	0	0	0	0	0	116.3	R174 V385 H389	R174-G387 WeakPolarHBondContact CD-O 3.42Å; R174-G387 PolarHBondContact NH1-O 2.61Å; V385-G387 PolarHBondContact O-N 3.24Å; G387-H389 VanDerWaalsContact C-N 3.35Å
388	G	71.9	Confident	71.4	Confident	10 Å²	10	55.2 Å²	55.2	10%	0.103	29%	0.292	C	S	.	.	S	Bend	trans	76.6	13.3	-178	0	0	0	0	0	116	N167 P386	N167-G388 VanDerWaalsContact O-CA 3.3Å; N167-G388 WeakPolarHBondContact O-CA 3.33Å; P386-G388 VanDerWaalsContact C-N 3.35Å; P386-G388 PolarHBondContact O-N 3.05Å
389	H	67.7	Low	68.6	Low	134 Å²	134	53.8 Å²	53.8	62%	0.62	29%	0.292	S	S	*	.	S	Bend	trans	-130.4	159.5	175.1	-60.9	-71.5	0	0	0	108.6	G387	G387-H389 VanDerWaalsContact C-N 3.35Å
390	E	55.8	Low	65.4	Low	180 Å²	180	57.5 Å²	57.5	84%	0.841	32%	0.319	S	S	*	.			trans	-54.9	144.1	175.3	-67.5	-176.9	147.5	0	0	111.1	E392	E390-E392 PolarHBondContact O-N 2.86Å
391	K	51.3	Low	61.9	Low	123 Å²	123	66 Å²	66	54%	0.535	36%	0.358	S	S	.	.			trans	-67.6	97.5	-172.1	-74.5	-173.5	174.8	-175.3	0	111.2	F309 D310	F309-K391 PolarHBondContact O-NZ 3.18Å; D310-K391 VanDerWaalsContact CG-NZ 3.3Å; D310-K391 IonicContact OD1-NZ 3.94Å; D310-K391 PolarHBondContact OD1-NZ 3.3Å; D310-K391 IonicContact OD2-NZ 2.65Å; D310-K391 PolarHBondContact OD2-NZ 3.3Å
392	E	38.4	Very low	58.4	Low	186 Å²	186	73.9 Å²	73.9	87%	0.869	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-69.2	122.4	145.2	-71.6	-171.9	165.3	0	0	107.8	E390	E390-E392 PolarHBondContact O-N 2.86Å
393	L	40.3	Very low	54.9	Low	121 Å²	121	83.8 Å²	83.8	63%	0.634	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-58.2	125.3	173.8	-84.5	151.9	0	0	0	108.9	L397	L393-L397 WeakPolarHBondContact CD2-O 3.39Å
394	P	47.8	Very low	51.4	Low	28 Å²	28	90.6 Å²	90.6	18%	0.182	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-68.1	143.4	-177.6	-9.4	22.6	0	0	0	110.7	K358 G396 L397	K358-P394 HydrophobicContact CB-CB 4.36Å; K358-P394 VanDerWaalsContact O-CB 3.25Å; K358-P394 WeakPolarHBondContact O-CB 3.14Å; K358-P394 WeakPolarHBondContact O-CG 3.43Å; P394-G396 PolarHBondContact O-N 3.27Å; P394-L397 HydrophobicContact CB-CD1 4.1Å; P394-L397 HydrophobicContact CG-CD1 4.09Å; P394-L397 WeakPolarHBondContact O-CB 3.23Å; P394-L397 PolarHBondContact O-N 3.3Å
395	T	51.8	Low	47.9	Very low	50 Å²	50	98.2 Å²	98.2	31%	0.307	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	130.7	-173	-38.8	0	0	0	0	111	V238 K358	V238-T395 HydrophobicContact CB-CG2 4.2Å; V238-T395 HydrophobicContact CG1-CG2 3.9Å; K358-T395 PolarHBondContact NZ-O 2.87Å
396	G	47.3	Very low	44.6	Very low	18 Å²	18	103 Å²	103	19%	0.186	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-8.2	-175.7	0	0	0	0	0	115.8	C194 P394	C194-G396 PolarHBondContact SG-O 2.84Å; P394-G396 PolarHBondContact O-N 3.27Å
397	L	49.1	Very low	41.4	Very low	1 Å²	1	106.7 Å²	106.7	1%	0.005	56%	0.562	C	S	.	*			trans	-105.3	63.1	-177.8	-69.5	170	0	0	0	112.5	C194 F336 M338 K358 L393 P394	C194-L397 WeakPolarHBondContact SG-CD2 3.22Å; F336-L397 HydrophobicContact CB-CD2 3.52Å; F336-L397 HydrophobicContact CD1-CD2 3.43Å; F336-L397 VanDerWaalsContact CD1-CD2 3.43Å; F336-L397 HydrophobicContact CD2-CD2 3.74Å; F336-L397 HydrophobicContact CE1-CB 4.38Å; F336-L397 HydrophobicContact CE1-CD2 3.97Å; F336-L397 HydrophobicContact CE2-CD2 4.25Å; F336-L397 HydrophobicContact CG-CD2 3.28Å; F336-L397 HydrophobicContact CZ-CB 4.46Å; F336-L397 HydrophobicContact CZ-CD2 4.35Å; M338-L397 HydrophobicContact CE-CD1 3.85Å; M338-L397 HydrophobicContact CE-CD2 3.63Å; M338-L397 HydrophobicContact CE-CG 4.17Å; K358-L397 HydrophobicContact CD-CD1 4.39Å; L393-L397 WeakPolarHBondContact CD2-O 3.39Å; P394-L397 HydrophobicContact CB-CD1 4.1Å; P394-L397 HydrophobicContact CG-CD1 4.09Å; P394-L397 WeakPolarHBondContact O-CB 3.23Å; P394-L397 PolarHBondContact O-N 3.3Å
398	T	40.9	Very low	39	Very low	104 Å²	104	114.7 Å²	114.7	64%	0.638	59%	0.59	S	S	*	*			trans	-95.9	112.7	167.8	51.6	0	0	0	0	109.8	S400	T398-S400 PolarHBondContact O-N 3.31Å
399	S	33.2	Very low	36.8	Very low	54 Å²	54	121.6 Å²	121.6	38%	0.378	62%	0.623	S	S	.	*			trans	-60.3	133.1	164.7	52.9	0	0	0	0	109	Q401	S399-Q401 VanDerWaalsContact C-N 3.31Å; S399-Q401 PolarHBondContact O-N 2.65Å
400	S	27.8	Very low	34.8	Very low	103 Å²	103	120.8 Å²	120.8	72%	0.72	63%	0.628	S	S	*	*			trans	-62.1	93.5	171.6	-78.8	0	0	0	0	109.4	T398 K402	T398-S400 PolarHBondContact O-N 3.31Å; S400-K402 PolarHBondContact O-N 2.97Å
401	Q	25	Very low	33.4	Very low	177 Å²	177	119.1 Å²	119.1	83%	0.827	63%	0.625	S	S	*	*			trans	-68.8	78.3	178.3	-74.9	-169.3	-8.3	0	0	110.6	S399 K403	S399-Q401 VanDerWaalsContact C-N 3.31Å; S399-Q401 PolarHBondContact O-N 2.65Å; Q401-K403 PolarHBondContact O-N 3.48Å
402	K	24.1	Very low	32.2	Very low	184 Å²	184	121.9 Å²	121.9	80%	0.8	64%	0.637	S	S	*	*			trans	-61.2	115.1	150	-78.9	-177.9	175.2	176.1	0	106.3	S400 I404	S400-K402 PolarHBondContact O-N 2.97Å; K402-I404 VanDerWaalsContact C-N 3.26Å; K402-I404 HydrophobicContact CB-CG1 4.48Å; K402-I404 PolarHBondContact O-N 2.93Å
403	K	23.6	Very low	31.4	Very low	208 Å²	208	119 Å²	119	90%	0.904	63%	0.632	S	S	*	*			trans	-56.9	96	161.1	-83.7	-178.9	172.1	179.1	0	107.6	Q401 E405	Q401-K403 PolarHBondContact O-N 3.48Å; K403-E405 PolarHBondContact O-N 3Å
404	I	24.9	Very low	30.6	Very low	143 Å²	143	118.8 Å²	118.8	73%	0.733	64%	0.635	S	S	*	*			trans	-82.2	99.5	166.2	-64	173.4	0	0	0	105.2	K402 S406	K402-I404 VanDerWaalsContact C-N 3.26Å; K402-I404 HydrophobicContact CB-CG1 4.48Å; K402-I404 PolarHBondContact O-N 2.93Å; I404-S406 PolarHBondContact O-N 3.37Å
405	E	23.3	Very low	29.5	Very low	179 Å²	179	125 Å²	125	84%	0.836	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-56	126.9	161.1	-67.2	-173.3	147.9	0	0	107.6	K403 P407	K403-E405 PolarHBondContact O-N 3Å; E405-P407 WeakPolarHBondContact O-CD 3.47Å; E405-P407 VanDerWaalsContact O-N 3.16Å
406	S	23.4	Very low	28.3	Very low	109 Å²	109	134 Å²	134	76%	0.762	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-60.2	119	-176.8	30.1	0	0	0	0	109.7	I404 K408	I404-S406 PolarHBondContact O-N 3.37Å; S406-K408 PolarHBondContact O-N 3.39Å
407	P	24.9	Very low	27.3	Very low	106 Å²	106	139.8 Å²	139.8	69%	0.688	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-66.7	124.7	-178.7	26.8	-32.8	0	0	0	108.4	E405 I409	E405-P407 WeakPolarHBondContact O-CD 3.47Å; E405-P407 VanDerWaalsContact O-N 3.16Å; P407-I409 PolarHBondContact O-N 3.36Å
408	K	25.7	Very low	26.2	Very low	191 Å²	191	147.1 Å²	147.1	83%	0.83	78%	0.776	S	S	*	*			trans	-58.3	108.9	171.9	-71.7	-179.9	179.1	175.7	0	108.3	S406 T410	S406-K408 PolarHBondContact O-N 3.39Å; K408-T410 VanDerWaalsContact C-N 3.34Å; K408-T410 PolarHBondContact O-N 3.49Å; K408-T410 PolarHBondContact O-OG1 3.37Å; K408-T410 VanDerWaalsContact O-OG1 3.09Å
409	I	26.3	Very low	25.4	Very low	155 Å²	155	149.5 Å²	149.5	80%	0.795	78%	0.784	S	S	*	*			trans	-57.6	100	175.5	-60.6	175.8	0	0	0	107.7	P407	P407-I409 PolarHBondContact O-N 3.36Å
410	T	26.2	Very low	24.9	Very low	117 Å²	117	155.1 Å²	155.1	72%	0.718	81%	0.808	S	S	*	*			trans	-98.9	105.4	175.5	-54.7	0	0	0	0	105.8	K408 K412	K408-T410 VanDerWaalsContact C-N 3.34Å; K408-T410 PolarHBondContact O-N 3.49Å; K408-T410 PolarHBondContact O-OG1 3.37Å; K408-T410 VanDerWaalsContact O-OG1 3.09Å; T410-K412 PolarHBondContact O-N 3.3Å
411	N	26	Very low	24.7	Very low	145 Å²	145	158.4 Å²	158.4	78%	0.775	81%	0.813	S	S	*	*			trans	-61.1	96	-179.3	-77	-23.7	0	0	0	110.9
412	K	25.4	Very low	24.7	Very low	180 Å²	180	157.1 Å²	157.1	78%	0.783	81%	0.812	S	S	*	*			trans	-126.4	85.2	155.5	-82.5	-166	172.4	-175.1	0	109.1	T410 T414	T410-K412 PolarHBondContact O-N 3.3Å; K412-T414 PolarHBondContact O-N 2.79Å
413	V	23.1	Very low	24.8	Very low	126 Å²	126	155.2 Å²	155.2	76%	0.764	81%	0.813	S	S	*	*			trans	-66.8	109.5	152.8	176.3	0	0	0	0	106.3	L415	V413-L415 HydrophobicContact CG1-CG 4.33Å
414	T	23.4	Very low	24.9	Very low	116 Å²	116	151.2 Å²	151.2	71%	0.712	81%	0.806	S	S	*	*			trans	-114.9	105.2	160	-57.3	0	0	0	0	106.2	K412 L416	K412-T414 PolarHBondContact O-N 2.79Å; T414-L416 PolarHBondContact O-N 3.04Å
415	L	24	Very low	24.9	Very low	158 Å²	158	151.8 Å²	151.8	83%	0.827	81%	0.812	S	S	*	*			trans	-78	99.3	166.4	-85.3	160.2	0	0	0	107.8	V413	V413-L415 HydrophobicContact CG1-CG 4.33Å
416	L	26.6	Very low	25	Very low	240 Å²	240	149.4 Å²	149.4	100%	1.257	81%	0.81	S	S	*	*			trans	172	0	146.6	-93.8	161.9	0	0	0	109.8	T414	T414-L416 PolarHBondContact O-N 3.04Å

Retrieved 416 of 416 residues in 117.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).