A0A087YE82_POEFO Loading...

Kunitz-type protease inhibitor 1-like

AlphaFold DB , UniProt , Accession A0A087YE82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 500 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	43.8	Very low	33.8	Very low	236 Å²	236	169.2 Å²	169.2	100%	1.163	88%	0.88	S	S	*	*				0	140.2	0	-84.4	170.1	170.1	0	0	107.8
2	F	34.3	Very low	33.7	Very low	198 Å²	198	169.1 Å²	169.1	87%	0.868	88%	0.88	S	S	*	*			trans	75	89.3	-161.5	-66.9	-83.9	0	0	0	115.1
3	R	29.4	Very low	34.1	Very low	251 Å²	251	165.2 Å²	165.2	95%	0.947	87%	0.868	S	S	*	*			trans	-107.1	111.4	158	-88.9	-172.3	171.7	-172.5	-2.1	107.6
4	F	30.3	Very low	34	Very low	195 Å²	195	163.9 Å²	163.9	86%	0.855	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-68.8	124.4	160	-88.8	-94.9	0	0	0	107.9
5	C	28.3	Very low	33.8	Very low	133 Å²	133	164.1 Å²	164.1	90%	0.899	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-97.1	121.2	176.3	-158.4	0	0	0	0	108.3
6	T	34	Very low	33.8	Very low	127 Å²	127	170.3 Å²	170.3	78%	0.779	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-94.2	143.1	176.4	39.8	0	0	0	0	110.8
7	S	31.2	Very low	33.5	Very low	112 Å²	112	163.2 Å²	163.2	78%	0.783	85%	0.848	S	S	*	*			trans	74.9	96	146.1	-144.4	0	0	0	0	120.3
8	S	32.6	Very low	33.5	Very low	111 Å²	111	159.4 Å²	159.4	78%	0.776	85%	0.845	S	S	*	*				155.5	100.6	124.2	-78.9	0	0	0	0	109.7
9	L	34	Very low	33.5	Very low	178 Å²	178	161.2 Å²	161.2	93%	0.932	85%	0.848	S	S	*	*			trans	-132.9	101.3	155.3	-147.3	82	0	0	0	107.8
10	L	36.9	Very low	33.6	Very low	161 Å²	161	165.1 Å²	165.1	84%	0.843	85%	0.851	S	S	*	*			trans	-66.5	138	176.2	-144.6	85.1	0	0	0	109.2	L12	L10-L12 PolarHBondContact O-N 2.64Å
11	L	36.9	Very low	33.6	Very low	159 Å²	159	159.9 Å²	159.9	83%	0.832	84%	0.838	S	S	*	*			trans	-45.6	123.1	168.2	-133.8	78.9	0	0	0	111.6
12	L	33.1	Very low	33.4	Very low	168 Å²	168	152.8 Å²	152.8	88%	0.88	82%	0.816	S	S	*	*			trans	-137	78.4	162.6	-109.4	152.3	0	0	0	108.6	L10	L10-L12 PolarHBondContact O-N 2.64Å
13	V	38.4	Very low	33.5	Very low	119 Å²	119	147.1 Å²	147.1	72%	0.721	81%	0.806	S	S	*	*			trans	-107.9	143.7	156.9	178.9	0	0	0	0	105.9
14	L	32.2	Very low	34.1	Very low	146 Å²	146	142.6 Å²	142.6	76%	0.764	80%	0.796	S	S	*	*			trans	99	92.7	173.2	-51.8	177.7	0	0	0	116.1
15	L	31.8	Very low	34.7	Very low	168 Å²	168	139.3 Å²	139.3	88%	0.88	78%	0.783	S	S	*	*				161.7	83.8	112.2	-83.7	161.1	0	0	0	109.4	G17	L15-G17 PolarHBondContact O-N 2.78Å; L15-G17 VanDerWaalsContact O-N 3.17Å
16	R	33.2	Very low	35.9	Very low	263 Å²	263	135.3 Å²	135.3	99%	0.992	76%	0.756	S	S	*	*			trans	-79.9	77.6	151.1	-79.2	-174.4	174.9	-177.3	-1.7	107
17	G	29.4	Very low	36.6	Very low	49 Å²	49	136.3 Å²	136.3	51%	0.505	75%	0.752	S	S	.	*			trans	-89.6	126.8	164	0	0	0	0	0	108.4	L15 Q19	L15-G17 PolarHBondContact O-N 2.78Å; L15-G17 VanDerWaalsContact O-N 3.17Å; G17-Q19 PolarHBondContact O-N 2.63Å; G17-Q19 VanDerWaalsContact O-N 3.16Å
18	A	33.7	Very low	37.3	Very low	96 Å²	96	137.3 Å²	137.3	79%	0.793	76%	0.759	S	S	*	*			trans	-57.6	111.7	175.5	0	0	0	0	0	111.6
19	Q	33.9	Very low	38.1	Very low	192 Å²	192	134.5 Å²	134.5	90%	0.897	75%	0.747	S	S	*	*			trans	-88.1	105.2	154.3	-69.9	170	-66.4	0	0	104.5	G17	G17-Q19 PolarHBondContact O-N 2.63Å; G17-Q19 VanDerWaalsContact O-N 3.16Å
20	R	35.5	Very low	38.9	Very low	240 Å²	240	130 Å²	130	91%	0.906	74%	0.744	S	S	*	*				46.9	81.7	59.6	-84.9	-168	178.6	177.4	1.3	112.9
21	G	31.8	Very low	40.2	Very low	56 Å²	56	123.5 Å²	123.5	58%	0.577	71%	0.71	S	S	*	*				-122.2	141.4	121.9	0	0	0	0	0	106.9
22	A	39.9	Very low	42.4	Very low	86 Å²	86	118 Å²	118	71%	0.711	69%	0.688	S	S	*	*			cis	45.2	66.5	7.3	0	0	0	0	0	111.1	E24	A22-E24 PolarHBondContact O-N 3.49Å
23	A	37.9	Very low	45.1	Very low	79 Å²	79	111.1 Å²	111.1	65%	0.653	65%	0.65	S	S	*	*			trans	-52.8	99.4	162.5	0	0	0	0	0	107.6	Q25	A23-Q25 PolarHBondContact O-N 3.39Å
24	E	40.2	Very low	47.4	Very low	157 Å²	157	107 Å²	107	73%	0.734	63%	0.626	S	S	*	*			trans	10.9	109.2	150.8	-82.6	162.2	135.1	0	0	114.4	A22	A22-E24 PolarHBondContact O-N 3.49Å
25	Q	43.5	Very low	50	Low	125 Å²	125	103.9 Å²	103.9	58%	0.584	62%	0.616	S	S	*	*				83.6	102.7	126.6	-110.5	156.6	-29.7	0	0	115	A23 E27	A23-Q25 PolarHBondContact O-N 3.39Å; Q25-E27 HydrophobicContact CB-CB 4.14Å; Q25-E27 HydrophobicContact CB-CG 3.53Å; Q25-E27 HydrophobicContact CG-CB 4.49Å; Q25-E27 HydrophobicContact CG-CG 4.17Å; Q25-E27 WeakPolarHBondContact O-CA 3.45Å; Q25-E27 PolarHBondContact O-N 2.88Å
26	C	53.5	Low	52	Low	49 Å²	49	96.7 Å²	96.7	33%	0.331	58%	0.582	S	S	.	*	S	Bend	trans	-60.1	83.9	138	-62.4	0	0	0	0	106.1	S28 G29 D31 C71	C26-S28 PolarHBondContact O-N 3.4Å; C26-G29 PolarHBondContact O-N 3.38Å; C26-D31 PolarHBondContact SG-O 3.11Å; C26-C71 PolarHBondContact SG-SG 3.46Å
27	E	48.7	Very low	53.9	Low	148 Å²	148	86.8 Å²	86.8	69%	0.692	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.2	-5.1	-135.3	-97.5	178.5	171.1	0	0	122.4	Q25	Q25-E27 HydrophobicContact CB-CB 4.14Å; Q25-E27 HydrophobicContact CB-CG 3.53Å; Q25-E27 HydrophobicContact CG-CB 4.49Å; Q25-E27 HydrophobicContact CG-CG 4.17Å; Q25-E27 WeakPolarHBondContact O-CA 3.45Å; Q25-E27 PolarHBondContact O-N 2.88Å
28	S	46.7	Very low	56.1	Low	134 Å²	134	91 Å²	91	94%	0.937	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152	17.3	171.1	-68	0	0	0	0	114.1	C26	C26-S28 PolarHBondContact O-N 3.4Å
29	G	48.3	Very low	58.3	Low	51 Å²	51	89.2 Å²	89.2	53%	0.526	54%	0.537	S	S	.	.	S	Bend	trans	-149.8	57.7	-168.7	0	0	0	0	0	115.2	C26 D31	C26-G29 PolarHBondContact O-N 3.38Å; G29-D31 VanDerWaalsContact C-N 3.26Å; G29-D31 PolarHBondContact O-N 2.93Å
30	G	51	Low	60.6	Low	84 Å²	84	80.5 Å²	80.5	87%	0.866	50%	0.496	S	S	*	.			trans	57.9	-9.1	144.2	0	0	0	0	0	122.6	A32	G30-A32 PolarHBondContact O-N 3.29Å
31	D	64.8	Low	63	Low	25 Å²	25	69 Å²	69	13%	0.134	45%	0.453	C	S	.	.			trans	-104.3	85.8	-166	-141.9	-3.7	0	0	0	112.1	C26 G29 R120 S122	C26-D31 PolarHBondContact SG-O 3.11Å; G29-D31 VanDerWaalsContact C-N 3.26Å; G29-D31 PolarHBondContact O-N 2.93Å; D31-R120 IonicContact OD2-CZ 2.73Å; D31-R120 VanDerWaalsContact OD2-CZ 3.22Å; D31-R120 IonicContact OD2-NE 3.09Å; D31-R120 PolarHBondContact OD2-NE 3.41Å; D31-R120 IonicContact OD2-NH2 3.41Å; D31-R120 PolarHBondContact OD2-NH2 3.35Å; D31-S122 VanDerWaalsContact CG-OG 3.32Å; D31-S122 VanDerWaalsContact OD1-CB 3.3Å; D31-S122 WeakPolarHBondContact OD1-CB 3.41Å; D31-S122 PolarHBondContact OD1-N 3.4Å; D31-S122 PolarHBondContact OD1-OG 3.46Å; D31-S122 VanDerWaalsContact OD2-CB 3.25Å; D31-S122 WeakPolarHBondContact OD2-CB 3.26Å; D31-S122 PolarHBondContact OD2-OG 3.26Å
32	A	83.6	Confident	65.7	Low	43 Å²	43	66.4 Å²	66.4	36%	0.355	43%	0.426	S	S	.	.			trans	-70.8	168.6	175.7	0	0	0	0	0	112.1	G30 R121	G30-A32 PolarHBondContact O-N 3.29Å; A32-R121 WeakPolarHBondContact O-CA 3.43Å; A32-R121 WeakPolarHBondContact O-CB 3.28Å; A32-R121 PolarHBondContact O-N 3.15Å
33	F	88.1	Confident	68.1	Low	23 Å²	23	62.7 Å²	62.7	10%	0.101	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	155.3	169.1	-76.7	-106	0	0	0	111.4	E67 C70 C71 I119 R120	F33-E67 HydrophobicContact CB-CG 4.2Å; F33-E67 WeakPolarHBondContact CB-OE2 3.45Å; F33-E67 HydrophobicContact CD2-CB 4.18Å; F33-E67 HydrophobicContact CG-CB 4.29Å; F33-E67 HydrophobicContact CG-CG 4.17Å; F33-C70 HydrophobicContact CE1-CB 4.09Å; F33-C70 HydrophobicContact CZ-CB 3.76Å; F33-C70 VanDerWaalsContact CZ-SG 3.51Å; F33-C71 WeakPolarHBondContact CE2-SG 3.39Å; F33-I119 CarbonylContact C-O 3.55Å; F33-I119 WeakPolarHBondContact CA-O 3.25Å; F33-R120 HydrophobicContact CD1-CB 4.43Å; F33-R120 HydrophobicContact CE1-CB 4.01Å; F33-R120 HydrophobicContact CZ-CB 4.15Å; F33-R120 HydrophobicContact CZ-CG 4.36Å
34	V	88.4	Confident	70.7	Confident	34 Å²	34	59 Å²	59	21%	0.206	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.3	170.9	-178.8	0	0	0	0	106.5	G36 I119 R121 Y124	V34-G36 PolarHBondContact O-N 3.06Å; V34-I119 PolarHBondContact N-O 2.91Å; V34-I119 PolarHBondContact O-N 3.27Å; V34-R121 HydrophobicContact CG2-CB 4.18Å; V34-R121 HydrophobicContact CG2-CG 4.36Å; V34-Y124 HydrophobicContact CB-CD2 4.34Å; V34-Y124 HydrophobicContact CB-CG 4.17Å; V34-Y124 HydrophobicContact CG1-CD1 4.36Å; V34-Y124 HydrophobicContact CG1-CD2 4.12Å; V34-Y124 HydrophobicContact CG1-CE1 4.39Å; V34-Y124 HydrophobicContact CG1-CE2 4.16Å; V34-Y124 HydrophobicContact CG1-CG 4.23Å; V34-Y124 HydrophobicContact CG2-CD1 4.09Å; V34-Y124 HydrophobicContact CG2-CG 4.06Å
35	S	85.3	Confident	73.1	Confident	79 Å²	79	56.5 Å²	56.5	55%	0.552	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	123.1	170.1	-173.9	0	0	0	0	108.4
36	G	74.7	Confident	75.3	Confident	17 Å²	17	51.8 Å²	51.8	18%	0.175	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.4	172.9	170	0	0	0	0	0	111.5	V34 S117	V34-G36 PolarHBondContact O-N 3.06Å; G36-S117 WeakPolarHBondContact CA-O 3.42Å; G36-S117 PolarHBondContact N-O 3.32Å
37	S	73.8	Confident	77.1	Confident	56 Å²	56	49.5 Å²	49.5	39%	0.392	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-57.9	136.1	171.7	-62	0	0	0	0	110.1	F40 F423	S37-F40 VanDerWaalsContact CB-CD2 3.45Å; S37-F423 PolarHBondContact OG-O 2.92Å
38	E	75.4	Confident	79.3	Confident	138 Å²	138	42.4 Å²	42.4	65%	0.645	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	149.5	176.3	-65	-166.8	155	0	0	111	F40	E38-F40 WeakPolarHBondContact O-CD2 3.47Å
39	N	79.6	Confident	81.4	Confident	58 Å²	58	40.4 Å²	40.4	31%	0.31	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	34.9	179.1	-47.3	-60.2	0	0	0	113.6	N111 Q112 A113 G114 Y115	N39-N111 CarbonylContact O-C 3.59Å; N39-N111 VanDerWaalsContact O-CA 3.24Å; N39-N111 WeakPolarHBondContact O-CA 3.5Å; N39-N111 PolarHBondContact O-OD1 3.24Å; N39-Q112 CarbonylContact C-O 3.59Å; N39-Q112 WeakPolarHBondContact CA-O 3.34Å; N39-Q112 PolarHBondContact O-N 3.3Å; N39-A113 WeakPolarHBondContact OD1-CA 3.27Å; N39-G114 PolarHBondContact OD1-N 3.47Å; N39-Y115 PolarHBondContact N-O 3.37Å
40	F	81.6	Confident	83.5	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.8	168	-78.4	-91.6	0	0	0	110.3	S37 E38 F109 V110 N111 R420 N421 M422 F423	S37-F40 VanDerWaalsContact CB-CD2 3.45Å; E38-F40 WeakPolarHBondContact O-CD2 3.47Å; F40-F109 HydrophobicContact CB-CB 4.26Å; F40-F109 HydrophobicContact CD1-CB 4Å; F40-V110 VanDerWaalsContact CA-O 3.31Å; F40-V110 WeakPolarHBondContact CA-O 3.34Å; F40-N111 HydrophobicContact CE1-CB 4.46Å; F40-R420 WeakPolarHBondContact CZ-O 3.23Å; F40-N421 WeakPolarHBondContact CE1-O 3.42Å; F40-M422 VanDerWaalsContact CZ-O 3.25Å; F40-M422 WeakPolarHBondContact CZ-O 3.49Å; F40-F423 HydrophobicContact CB-CD2 3.7Å; F40-F423 HydrophobicContact CB-CE2 4.04Å; F40-F423 HydrophobicContact CD1-CB 4.24Å; F40-F423 HydrophobicContact CD1-CD2 4.03Å; F40-F423 HydrophobicContact CD2-CD2 4.46Å; F40-F423 HydrophobicContact CE1-CB 4.37Å; F40-F423 AromaticContact CG-CD2 3.81Å; F40-F423 HydrophobicContact CG-CD2 3.81Å
41	V	85.9	Confident	85.5	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.4	175.4	67.8	0	0	0	0	109.3	D43 L80 F109 V110 Q112 Y115 L352 V355	V41-D43 PolarHBondContact O-N 3.3Å; V41-L80 HydrophobicContact CG2-CD1 4.3Å; V41-L80 HydrophobicContact CG2-CD2 3.94Å; V41-F109 CarbonylContact O-C 3.21Å; V41-F109 WeakPolarHBondContact O-CA 3.34Å; V41-V110 HydrophobicContact CG1-CG2 3.47Å; V41-V110 VanDerWaalsContact CG1-CG2 3.47Å; V41-V110 PolarHBondContact N-O 3.45Å; V41-V110 PolarHBondContact O-N 2.81Å; V41-Q112 HydrophobicContact CB-CB 3.98Å; V41-Q112 HydrophobicContact CG1-CB 3.3Å; V41-Q112 HydrophobicContact CG1-CG 3.92Å; V41-Y115 HydrophobicContact CB-CD1 3.9Å; V41-Y115 HydrophobicContact CB-CD2 4.05Å; V41-Y115 HydrophobicContact CB-CE1 4.36Å; V41-Y115 HydrophobicContact CB-CG 3.71Å; V41-Y115 HydrophobicContact CG2-CD1 3.4Å; V41-Y115 VanDerWaalsContact CG2-CD1 3.4Å; V41-Y115 HydrophobicContact CG2-CD2 4.22Å; V41-Y115 HydrophobicContact CG2-CE1 3.51Å; V41-Y115 HydrophobicContact CG2-CE2 4.34Å; V41-Y115 HydrophobicContact CG2-CG 3.77Å; V41-L352 HydrophobicContact CG2-CD2 4.39Å; V41-V355 HydrophobicContact CG1-CG1 3.67Å; V41-V355 HydrophobicContact CG1-CG2 4.43Å; V41-V355 HydrophobicContact CG2-CG2 4.42Å
42	L	89.8	Confident	87	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.7	172.3	-176.5	72.8	0	0	0	110	A44 A47 L78 L80 F97 C107 R108 F109	L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 2.85Å; L42-A47 HydrophobicContact CD1-CB 3.78Å; L42-A47 HydrophobicContact CD2-CB 4.2Å; L42-A47 HydrophobicContact CG-CB 4.07Å; L42-L78 HydrophobicContact CB-CD2 4.36Å; L42-L78 HydrophobicContact CD1-CD2 4Å; L42-L78 HydrophobicContact CD2-CD2 4.22Å; L42-L78 HydrophobicContact CG-CD2 4.44Å; L42-L80 HydrophobicContact CB-CD2 4.42Å; L42-F97 HydrophobicContact CD2-CD1 3.64Å; L42-F97 HydrophobicContact CD2-CD2 3.87Å; L42-F97 HydrophobicContact CD2-CE1 3.56Å; L42-F97 HydrophobicContact CD2-CE2 3.77Å; L42-F97 HydrophobicContact CD2-CG 3.8Å; L42-F97 HydrophobicContact CD2-CZ 3.63Å; L42-C107 HydrophobicContact CD1-CB 3.36Å; L42-C107 WeakPolarHBondContact CD1-SG 3.21Å; L42-R108 WeakPolarHBondContact CA-O 3.36Å; L42-R108 WeakPolarHBondContact CD1-O 3.49Å; L42-F109 HydrophobicContact CD1-CE1 4.44Å
43	D	90.4	Very high	87.4	Confident	8 Å²	8	34.1 Å²	34.1	4%	0.043	19%	0.19	C	C	.	.			trans	-70.7	91.8	158.9	-173.4	-23.7	0	0	0	108.1	V41 K45 D46 A47 R108 V110 V357	V41-D43 PolarHBondContact O-N 3.3Å; D43-K45 PolarHBondContact O-N 3.41Å; D43-K45 PolarHBondContact OD1-N 3.45Å; D43-K45 VanDerWaalsContact OD1-N 3.12Å; D43-D46 HydrophobicContact CB-CB 4.31Å; D43-D46 PolarHBondContact OD1-N 3.1Å; D43-D46 VanDerWaalsContact OD1-N 3.14Å; D43-A47 WeakPolarHBondContact O-CB 3.37Å; D43-A47 PolarHBondContact O-N 3.3Å; D43-R108 HydrophobicContact CB-CB 4.44Å; D43-R108 PolarHBondContact N-O 3.45Å; D43-V110 HydrophobicContact CB-CG1 4.19Å; D43-V357 HydrophobicContact CB-CG2 4.32Å
44	A	91	Very high	87.7	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-24.3	-174	0	0	0	0	0	112.8	L42 V48 F349 L352 L353	L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 2.85Å; A44-V48 VanDerWaalsContact O-CB 3.3Å; A44-V48 WeakPolarHBondContact O-CB 3.18Å; A44-V48 WeakPolarHBondContact O-CG2 3.5Å; A44-V48 PolarHBondContact O-N 3.44Å; A44-F349 HydrophobicContact CB-CE2 4.14Å; A44-L352 HydrophobicContact CB-CB 3.68Å; A44-L352 HydrophobicContact CB-CD1 4.47Å; A44-L353 HydrophobicContact CB-CD2 4.4Å
45	K	90.8	Very high	87.9	Confident	105 Å²	105	32 Å²	32	46%	0.457	18%	0.179	S	C	.	.	H	α-helix	trans	-71.5	-58	178.5	-179.2	-170.9	165.7	-150.8	0	109	D43 A47 V48 E49 F248 L353	D43-K45 PolarHBondContact O-N 3.41Å; D43-K45 PolarHBondContact OD1-N 3.45Å; D43-K45 VanDerWaalsContact OD1-N 3.12Å; K45-A47 PolarHBondContact O-N 3.41Å; K45-V48 PolarHBondContact O-N 3.14Å; K45-E49 WeakPolarHBondContact O-CB 3.14Å; K45-E49 PolarHBondContact O-N 3.36Å; K45-F248 HydrophobicContact CG-CE1 4.36Å; K45-F248 WeakPolarHBondContact O-CE1 3.29Å; K45-L353 HydrophobicContact CB-CD2 3.8Å
46	D	89.1	Confident	88.1	Confident	27 Å²	27	30.1 Å²	30.1	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-42.2	-177.7	-81.6	16.5	0	0	0	111.8	D43 V48 E49 D50 R108	D43-D46 HydrophobicContact CB-CB 4.31Å; D43-D46 PolarHBondContact OD1-N 3.1Å; D43-D46 VanDerWaalsContact OD1-N 3.14Å; D46-V48 PolarHBondContact O-N 2.82Å; D46-E49 PolarHBondContact O-N 3.32Å; D46-D50 PolarHBondContact O-N 2.95Å; D46-R108 IonicContact OD2-CZ 2.54Å; D46-R108 IonicContact OD2-NH1 2.86Å; D46-R108 PolarHBondContact OD2-NH1 2.71Å
47	A	92.3	Very high	88.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-44.2	-179.9	0	0	0	0	0	111.8	L42 D43 K45 D50 G51 A52	L42-A47 HydrophobicContact CD1-CB 3.78Å; L42-A47 HydrophobicContact CD2-CB 4.2Å; L42-A47 HydrophobicContact CG-CB 4.07Å; D43-A47 WeakPolarHBondContact O-CB 3.37Å; D43-A47 PolarHBondContact O-N 3.3Å; K45-A47 PolarHBondContact O-N 3.41Å; A47-D50 CarbonylContact O-C 3.28Å; A47-D50 PolarHBondContact O-N 3.32Å; A47-G51 PolarHBondContact O-N 3.05Å; A47-G51 VanDerWaalsContact O-N 3.15Å; A47-A52 VanDerWaalsContact C-CB 3.48Å; A47-A52 HydrophobicContact CB-CB 3.83Å; A47-A52 WeakPolarHBondContact O-CA 3.45Å; A47-A52 WeakPolarHBondContact O-CB 3.4Å; A47-A52 PolarHBondContact O-N 2.97Å
48	V	94.2	Very high	89.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-73.7	-32.1	179.4	174.7	0	0	0	0	111.5	A44 K45 D46 D50 G51 F97 F248 R250 Y265 F349	A44-V48 VanDerWaalsContact O-CB 3.3Å; A44-V48 WeakPolarHBondContact O-CB 3.18Å; A44-V48 WeakPolarHBondContact O-CG2 3.5Å; A44-V48 PolarHBondContact O-N 3.44Å; K45-V48 PolarHBondContact O-N 3.14Å; D46-V48 PolarHBondContact O-N 2.82Å; V48-D50 VanDerWaalsContact C-N 3.29Å; V48-D50 PolarHBondContact O-N 2.7Å; V48-G51 PolarHBondContact O-N 3.41Å; V48-G51 VanDerWaalsContact O-N 3.11Å; V48-F97 HydrophobicContact CG2-CE1 4.36Å; V48-F248 HydrophobicContact CB-CE1 4.19Å; V48-F248 HydrophobicContact CB-CE2 4.14Å; V48-F248 HydrophobicContact CB-CZ 3.83Å; V48-F248 HydrophobicContact CG1-CD1 4.4Å; V48-F248 HydrophobicContact CG1-CD2 3.83Å; V48-F248 HydrophobicContact CG1-CE1 4.18Å; V48-F248 HydrophobicContact CG1-CE2 3.55Å; V48-F248 HydrophobicContact CG1-CG 4.23Å; V48-F248 HydrophobicContact CG1-CZ 3.75Å; V48-R250 PolarHBondContact O-NH2 3.11Å; V48-Y265 HydrophobicContact CG1-CE1 4.23Å; V48-F349 HydrophobicContact CB-CZ 4.36Å; V48-F349 HydrophobicContact CG1-CZ 4.38Å; V48-F349 HydrophobicContact CG2-CE2 3.83Å; V48-F349 HydrophobicContact CG2-CZ 3.95Å
49	E	92.3	Very high	90.3	Very high	91 Å²	91	25.3 Å²	25.3	43%	0.425	14%	0.139	S	C	.	.	H	α-helix	trans	-58.4	-43.9	170.3	-172	161.6	-169.2	0	0	110.8	K45 D46 G51 F248 L276	K45-E49 WeakPolarHBondContact O-CB 3.14Å; K45-E49 PolarHBondContact O-N 3.36Å; D46-E49 PolarHBondContact O-N 3.32Å; E49-G51 PolarHBondContact O-N 2.85Å; E49-F248 HydrophobicContact CB-CD1 4.09Å; E49-F248 HydrophobicContact CB-CE1 4.17Å; E49-L276 WeakPolarHBondContact O-CD1 3.31Å
50	D	91.2	Very high	90.8	Very high	34 Å²	34	22.6 Å²	22.6	18%	0.182	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	0.2	175.7	-81.8	-7.1	0	0	0	114.4	D46 A47 V48 R104 V106 R108	D46-D50 PolarHBondContact O-N 2.95Å; A47-D50 CarbonylContact O-C 3.28Å; A47-D50 PolarHBondContact O-N 3.32Å; V48-D50 VanDerWaalsContact C-N 3.29Å; V48-D50 PolarHBondContact O-N 2.7Å; D50-R104 IonicContact OD2-NH2 3.35Å; D50-R104 PolarHBondContact OD2-NH2 3.49Å; D50-V106 HydrophobicContact CB-CB 3.77Å; D50-V106 HydrophobicContact CB-CG1 4.01Å; D50-V106 WeakPolarHBondContact O-CG1 3.37Å; D50-R108 IonicContact OD1-NH2 3.22Å; D50-R108 IonicContact OD2-CZ 3.95Å; D50-R108 IonicContact OD2-NH2 3.66Å; D50-R108 PolarHBondContact OD2-NH2 2.83Å
51	G	93.3	Very high	91.1	Very high	9 Å²	9	26.1 Å²	26.1	9%	0.093	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.5	8.2	170.4	0	0	0	0	0	116.2	A47 V48 E49 H101	A47-G51 PolarHBondContact O-N 3.05Å; A47-G51 VanDerWaalsContact O-N 3.15Å; V48-G51 PolarHBondContact O-N 3.41Å; V48-G51 VanDerWaalsContact O-N 3.11Å; E49-G51 PolarHBondContact O-N 2.85Å; G51-H101 PolarHBondContact O-ND1 2.99Å
52	A	95.6	Very high	91.3	Very high	2 Å²	2	30 Å²	30	2%	0.017	17%	0.174	C	C	.	.			trans	-58.4	146.7	168.7	0	0	0	0	0	110.3	A47 D98 V106	A47-A52 VanDerWaalsContact C-CB 3.48Å; A47-A52 HydrophobicContact CB-CB 3.83Å; A47-A52 WeakPolarHBondContact O-CA 3.45Å; A47-A52 WeakPolarHBondContact O-CB 3.4Å; A47-A52 PolarHBondContact O-N 2.97Å; A52-D98 CarbonylContact C-O 3.55Å; A52-D98 WeakPolarHBondContact CA-O 3.12Å; A52-D98 WeakPolarHBondContact CB-O 3.27Å; A52-V106 HydrophobicContact CB-CG2 3.92Å
53	A	93.8	Very high	91.2	Very high	26 Å²	26	31.4 Å²	31.4	22%	0.215	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.3	-179.8	0	0	0	0	0	110.8	L55 F97 D98	A53-L55 HydrophobicContact CB-CD2 4.22Å; A53-L55 PolarHBondContact O-N 3.39Å; A53-F97 WeakPolarHBondContact O-CA 3.3Å; A53-D98 HydrophobicContact CB-CB 4.24Å; A53-D98 PolarHBondContact N-O 2.94Å; A53-D98 PolarHBondContact O-N 3.35Å
54	L	94	Very high	90.9	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	115.4	163.2	175.6	63	0	0	0	108.2	V95 F97 C268 L345 F349	L54-V95 HydrophobicContact CD1-CG1 3.27Å; L54-F97 HydrophobicContact CB-CD1 4.37Å; L54-F97 HydrophobicContact CB-CE1 3.83Å; L54-F97 HydrophobicContact CB-CZ 4.1Å; L54-F97 HydrophobicContact CD1-CD2 4.23Å; L54-F97 HydrophobicContact CD1-CE1 4.22Å; L54-F97 HydrophobicContact CD1-CE2 3.74Å; L54-F97 HydrophobicContact CD1-CZ 3.73Å; L54-F97 HydrophobicContact CG-CZ 4.43Å; L54-C268 HydrophobicContact CB-CB 4.25Å; L54-C268 HydrophobicContact CD2-CB 4.07Å; L54-C268 HydrophobicContact CG-CB 4.49Å; L54-L345 HydrophobicContact CD1-CD1 4.37Å; L54-L345 HydrophobicContact CD2-CD1 3.57Å; L54-L345 HydrophobicContact CD2-CG 3.9Å; L54-L345 HydrophobicContact CG-CD1 3.81Å; L54-F349 HydrophobicContact CD2-CB 3.82Å; L54-F349 HydrophobicContact CD2-CD2 3.86Å; L54-F349 HydrophobicContact CD2-CG 4.09Å
55	L	91.2	Very high	90.9	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.047	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-48.2	-174.4	-59.9	178.1	0	0	0	111.9	A53 R75 C76 L96 D98 R323	A53-L55 HydrophobicContact CB-CD2 4.22Å; A53-L55 PolarHBondContact O-N 3.39Å; L55-R75 HydrophobicContact CD1-CB 4.03Å; L55-R75 HydrophobicContact CD2-CB 4.38Å; L55-C76 HydrophobicContact CD1-CB 3.73Å; L55-L96 HydrophobicContact CB-CB 4.28Å; L55-L96 PolarHBondContact N-O 3.32Å; L55-D98 HydrophobicContact CD1-CB 4.12Å; L55-D98 HydrophobicContact CD2-CB 4.1Å; L55-D98 HydrophobicContact CG-CB 4.23Å; L55-R323 PolarHBondContact O-NH2 2.98Å
56	D	89.7	Confident	90.9	Very high	39 Å²	39	34.1 Å²	34.1	21%	0.209	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	168	-173.3	-159.7	0.5	0	0	0	112.4	Q58 L96	D56-Q58 VanDerWaalsContact CG-NE2 3.35Å; D56-Q58 PolarHBondContact OD1-NE2 3.33Å; D56-Q58 PolarHBondContact OD2-NE2 2.79Å; D56-L96 HydrophobicContact CB-CB 4.39Å; D56-L96 HydrophobicContact CB-CD1 4.2Å; D56-L96 PolarHBondContact O-N 2.76Å
57	T	90.5	Very high	91	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	113.2	174.8	-60.8	0	0	0	0	112	T93 C94 K344 T348	T57-T93 HydrophobicContact CG2-CG2 3.42Å; T57-T93 VanDerWaalsContact CG2-CG2 3.42Å; T57-C94 CarbonylContact C-O 3.51Å; T57-C94 WeakPolarHBondContact CA-O 3.27Å; T57-K344 PolarHBondContact O-NZ 2.91Å; T57-T348 HydrophobicContact CG2-CG2 3.89Å; T57-T348 WeakPolarHBondContact CG2-OG1 3.38Å
58	Q	89.3	Confident	90.8	Very high	53 Å²	53	38.7 Å²	38.7	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.6	-177.3	-63.4	-58.9	-28.7	0	0	111.8	D56 Q69 C94	D56-Q58 VanDerWaalsContact CG-NE2 3.35Å; D56-Q58 PolarHBondContact OD1-NE2 3.33Å; D56-Q58 PolarHBondContact OD2-NE2 2.79Å; Q58-Q69 HydrophobicContact CB-CG 4.29Å; Q58-Q69 HydrophobicContact CG-CB 4.36Å; Q58-Q69 HydrophobicContact CG-CG 4.26Å; Q58-C94 HydrophobicContact CB-CB 4.47Å; Q58-C94 PolarHBondContact N-O 2.98Å; Q58-C94 PolarHBondContact O-N 3.48Å
59	A	90	Very high	90.6	Very high	55 Å²	55	40.3 Å²	40.3	46%	0.455	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124	169.5	0	0	0	0	0	107.7	R92	A59-R92 WeakPolarHBondContact CA-O 3.43Å
60	V	91.2	Very high	90.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.1	-176.6	-65	0	0	0	0	110.4	E65 C66 Q69 L81 T91 R92 C94	V60-E65 HydrophobicContact CB-CB 4.09Å; V60-E65 HydrophobicContact CB-CG 4.46Å; V60-E65 HydrophobicContact CG1-CB 3.99Å; V60-E65 HydrophobicContact CG1-CG 4.02Å; V60-C66 HydrophobicContact CG2-CB 4.46Å; V60-Q69 HydrophobicContact CG1-CG 4.47Å; V60-L81 HydrophobicContact CG2-CD1 3.58Å; V60-T91 CarbonylContact O-C 3.55Å; V60-T91 WeakPolarHBondContact O-CA 2.94Å; V60-R92 HydrophobicContact CG2-CB 4.32Å; V60-R92 WeakPolarHBondContact CG2-O 3.36Å; V60-R92 PolarHBondContact N-O 3.1Å; V60-R92 PolarHBondContact O-N 2.91Å; V60-C94 HydrophobicContact CG1-CB 3.92Å; V60-C94 HydrophobicContact CG2-CB 3.99Å
61	S	88.4	Confident	90.4	Very high	83 Å²	83	37 Å²	37	58%	0.58	22%	0.218	S	C	*	.	S	Bend	trans	-88.6	-29.1	177.6	60.6	0	0	0	0	112	E65	S61-E65 PolarHBondContact N-OE2 2.88Å
62	V	89	Confident	90	Very high	82 Å²	82	43.3 Å²	43.3	50%	0.497	24%	0.242	S	C	.	.	S	Bend	trans	-121.9	135.1	179.6	-176.9	0	0	0	0	108.9	E64 E65	V62-E64 HydrophobicContact CG1-CB 4.35Å; V62-E64 PolarHBondContact O-N 3.2Å; V62-E65 VanDerWaalsContact O-CB 3.26Å; V62-E65 WeakPolarHBondContact O-CB 3.46Å; V62-E65 PolarHBondContact O-N 3.42Å
63	D	87.7	Confident	89.6	Confident	28 Å²	28	44 Å²	44	15%	0.15	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-41.8	-177.5	-74.2	13.7	0	0	0	112.2	E65 C66 L81 R92 K116	D63-E65 VanDerWaalsContact C-N 3.26Å; D63-E65 PolarHBondContact O-N 3.04Å; D63-C66 VanDerWaalsContact O-CB 3.26Å; D63-C66 WeakPolarHBondContact O-CB 3.34Å; D63-C66 PolarHBondContact O-N 3.42Å; D63-L81 HydrophobicContact CB-CD2 3.59Å; D63-L81 WeakPolarHBondContact OD1-CD2 2.98Å; D63-R92 WeakPolarHBondContact OD1-CD 3.2Å; D63-R92 IonicContact OD1-CZ 3.6Å; D63-R92 IonicContact OD1-NE 3.83Å; D63-R92 IonicContact OD1-NH1 2.81Å; D63-R92 PolarHBondContact OD1-NH1 3.31Å; D63-R92 IonicContact OD2-NH1 2.75Å; D63-R92 PolarHBondContact OD2-NH1 2.91Å; D63-K116 IonicContact OD2-NZ 2.79Å; D63-K116 PolarHBondContact OD2-NZ 2.88Å
64	E	84.5	Confident	89.3	Confident	103 Å²	103	46.1 Å²	46.1	48%	0.481	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.6	-178.3	-63.8	175.5	-175.7	0	0	113.4	V62 C66 E67	V62-E64 HydrophobicContact CG1-CB 4.35Å; V62-E64 PolarHBondContact O-N 3.2Å; E64-C66 PolarHBondContact O-N 3.3Å; E64-E67 PolarHBondContact O-N 3.27Å
65	E	90.1	Very high	89.1	Confident	68 Å²	68	48.9 Å²	48.9	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-26.7	177.2	-169	-176.9	176.6	0	0	111.4	V60 S61 V62 D63 E67 T68 Q69	V60-E65 HydrophobicContact CB-CB 4.09Å; V60-E65 HydrophobicContact CB-CG 4.46Å; V60-E65 HydrophobicContact CG1-CB 3.99Å; V60-E65 HydrophobicContact CG1-CG 4.02Å; S61-E65 PolarHBondContact N-OE2 2.88Å; V62-E65 VanDerWaalsContact O-CB 3.26Å; V62-E65 WeakPolarHBondContact O-CB 3.46Å; V62-E65 PolarHBondContact O-N 3.42Å; D63-E65 VanDerWaalsContact C-N 3.26Å; D63-E65 PolarHBondContact O-N 3.04Å; E65-E67 VanDerWaalsContact C-N 3.33Å; E65-E67 PolarHBondContact O-N 2.79Å; E65-T68 PolarHBondContact O-N 3.38Å; E65-Q69 WeakPolarHBondContact O-CG 3.4Å; E65-Q69 PolarHBondContact O-N 2.72Å; E65-Q69 PolarHBondContact OE1-NE2 2.83Å
66	C	91.4	Very high	89.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-39.6	178.9	-171.7	0	0	0	0	112.3	V60 D63 E64 Q69 C70 L81 C94	V60-C66 HydrophobicContact CG2-CB 4.46Å; D63-C66 VanDerWaalsContact O-CB 3.26Å; D63-C66 WeakPolarHBondContact O-CB 3.34Å; D63-C66 PolarHBondContact O-N 3.42Å; E64-C66 PolarHBondContact O-N 3.3Å; C66-Q69 PolarHBondContact O-N 3.07Å; C66-C70 PolarHBondContact O-N 3Å; C66-C70 VanDerWaalsContact O-N 3.16Å; C66-L81 HydrophobicContact CB-CD1 4.23Å; C66-C94 WeakPolarHBondContact CA-SG 3.32Å; C66-C94 HydrophobicContact CB-CB 3.73Å; C66-C94 WeakPolarHBondContact CB-SG 3.36Å; C66-C94 WeakPolarHBondContact SG-CB 3.39Å; C66-C94 CovalentContact SG-SG 2.03Å; C66-C94 PolarHBondContact SG-SG 3.18Å
67	E	90.5	Very high	89.4	Confident	50 Å²	50	47.1 Å²	47.1	23%	0.234	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-46.5	174.9	-63.5	173.5	-136	0	0	110.2	F33 E64 E65 Q69 C70 C71 Y118	F33-E67 HydrophobicContact CB-CG 4.2Å; F33-E67 WeakPolarHBondContact CB-OE2 3.45Å; F33-E67 HydrophobicContact CD2-CB 4.18Å; F33-E67 HydrophobicContact CG-CB 4.29Å; F33-E67 HydrophobicContact CG-CG 4.17Å; E64-E67 PolarHBondContact O-N 3.27Å; E65-E67 VanDerWaalsContact C-N 3.33Å; E65-E67 PolarHBondContact O-N 2.79Å; E67-Q69 VanDerWaalsContact C-N 3.31Å; E67-Q69 PolarHBondContact O-N 3.32Å; E67-C70 WeakPolarHBondContact O-CA 3.32Å; E67-C70 WeakPolarHBondContact O-CB 3.34Å; E67-C70 PolarHBondContact O-N 3.05Å; E67-C70 VanDerWaalsContact O-N 3.08Å; E67-C71 PolarHBondContact O-N 3.49Å; E67-C71 PolarHBondContact O-SG 3.28Å; E67-Y118 HydrophobicContact CG-CD1 3.94Å; E67-Y118 HydrophobicContact CG-CD2 4.37Å; E67-Y118 HydrophobicContact CG-CG 3.84Å; E67-Y118 VanDerWaalsContact OE1-CD1 3.22Å; E67-Y118 WeakPolarHBondContact OE1-CD1 3.42Å; E67-Y118 VanDerWaalsContact OE1-CE1 3.25Å; E67-Y118 WeakPolarHBondContact OE1-CE1 3.5Å
68	T	88.8	Confident	89.6	Confident	74 Å²	74	47 Å²	47	45%	0.454	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-35	179.3	-51.4	0	0	0	0	112.8	E65 C71	E65-T68 PolarHBondContact O-N 3.38Å; T68-C71 WeakPolarHBondContact O-CB 3.48Å; T68-C71 PolarHBondContact O-N 2.78Å
69	Q	89.8	Confident	89.8	Confident	34 Å²	34	44.5 Å²	44.5	16%	0.159	25%	0.246	C	C	.	.	H	α-helix	trans	-67.8	-41.4	173.6	-62.6	-59.7	-18.6	0	0	111.3	Q58 V60 E65 C66 E67 C71 K72 L96	Q58-Q69 HydrophobicContact CB-CG 4.29Å; Q58-Q69 HydrophobicContact CG-CB 4.36Å; Q58-Q69 HydrophobicContact CG-CG 4.26Å; V60-Q69 HydrophobicContact CG1-CG 4.47Å; E65-Q69 WeakPolarHBondContact O-CG 3.4Å; E65-Q69 PolarHBondContact O-N 2.72Å; E65-Q69 PolarHBondContact OE1-NE2 2.83Å; C66-Q69 PolarHBondContact O-N 3.07Å; E67-Q69 VanDerWaalsContact C-N 3.31Å; E67-Q69 PolarHBondContact O-N 3.32Å; Q69-C71 VanDerWaalsContact C-N 3.29Å; Q69-C71 PolarHBondContact O-N 2.89Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 2.8Å; Q69-L96 HydrophobicContact CB-CD1 4.25Å
70	C	91.6	Very high	90	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-39.1	173.9	-169.1	0	0	0	0	111.6	F33 C66 E67 K72 D73 C76 A79 L96	F33-C70 HydrophobicContact CE1-CB 4.09Å; F33-C70 HydrophobicContact CZ-CB 3.76Å; F33-C70 VanDerWaalsContact CZ-SG 3.51Å; C66-C70 PolarHBondContact O-N 3Å; C66-C70 VanDerWaalsContact O-N 3.16Å; E67-C70 WeakPolarHBondContact O-CA 3.32Å; E67-C70 WeakPolarHBondContact O-CB 3.34Å; E67-C70 PolarHBondContact O-N 3.05Å; E67-C70 VanDerWaalsContact O-N 3.08Å; C70-K72 PolarHBondContact O-N 3.09Å; C70-K72 VanDerWaalsContact O-N 3.08Å; C70-D73 PolarHBondContact O-N 3.03Å; C70-D73 VanDerWaalsContact O-N 3.15Å; C70-C76 WeakPolarHBondContact CA-SG 3.03Å; C70-C76 HydrophobicContact CB-CB 4.04Å; C70-C76 WeakPolarHBondContact CB-SG 3.31Å; C70-C76 WeakPolarHBondContact O-CB 3.17Å; C70-C76 VanDerWaalsContact SG-C 3.55Å; C70-C76 WeakPolarHBondContact SG-CB 3.43Å; C70-C76 CovalentContact SG-SG 2.02Å; C70-C76 PolarHBondContact SG-SG 3.16Å; C70-A79 HydrophobicContact CB-CB 3.88Å; C70-L96 HydrophobicContact CB-CD2 3.81Å
71	C	88.3	Confident	90.1	Very high	55 Å²	55	41.9 Å²	41.9	37%	0.372	22%	0.224	S	C	.	.	H	α-helix	trans	-57.7	-24.7	177.4	-63.3	0	0	0	0	114.6	C26 F33 E67 T68 Q69	C26-C71 PolarHBondContact SG-SG 3.46Å; F33-C71 WeakPolarHBondContact CE2-SG 3.39Å; E67-C71 PolarHBondContact O-N 3.49Å; E67-C71 PolarHBondContact O-SG 3.28Å; T68-C71 WeakPolarHBondContact O-CB 3.48Å; T68-C71 PolarHBondContact O-N 2.78Å; Q69-C71 VanDerWaalsContact C-N 3.29Å; Q69-C71 PolarHBondContact O-N 2.89Å
72	K	85.8	Confident	90.2	Very high	140 Å²	140	38 Å²	38	61%	0.609	20%	0.197	S	C	*	.	H	α-helix	trans	-74.7	-26.5	-178.9	-64.2	174.2	-174.2	170.8	0	112.8	Q69 C70	Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 2.8Å; C70-K72 PolarHBondContact O-N 3.09Å; C70-K72 VanDerWaalsContact O-N 3.08Å
73	D	86.5	Confident	90.1	Very high	17 Å²	17	36 Å²	36	9%	0.091	19%	0.186	C	C	.	.	S	Bend	trans	-105.8	113.9	175.8	-168.2	-30.2	0	0	0	109.2	C70 R75 C76 R323	C70-D73 PolarHBondContact O-N 3.03Å; C70-D73 VanDerWaalsContact O-N 3.15Å; D73-R75 PolarHBondContact O-N 3.23Å; D73-R75 VanDerWaalsContact O-N 3.1Å; D73-R75 VanDerWaalsContact OD1-CB 3.3Å; D73-R75 WeakPolarHBondContact OD1-CB 3.23Å; D73-R75 PolarHBondContact OD1-N 3.39Å; D73-R75 IonicContact OD1-NE 2.85Å; D73-R75 PolarHBondContact OD1-NE 3.4Å; D73-R75 IonicContact OD1-NH2 3.7Å; D73-R75 IonicContact OD2-CZ 2.86Å; D73-R75 IonicContact OD2-NE 3.74Å; D73-R75 IonicContact OD2-NH2 3.56Å; D73-R75 PolarHBondContact OD2-NH2 3.43Å; D73-C76 HydrophobicContact CB-CB 4.15Å; D73-C76 VanDerWaalsContact O-CB 3.3Å; D73-C76 WeakPolarHBondContact O-CB 3.39Å; D73-C76 PolarHBondContact O-N 2.93Å; D73-R323 IonicContact OD2-NH1 3.47Å; D73-R323 PolarHBondContact OD2-NH1 2.73Å
74	P	86.9	Confident	89.8	Confident	70 Å²	70	43 Å²	43	46%	0.455	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17	-178.6	28.6	-36.2	0	0	0	113.3	R120 P310	P74-R120 PolarHBondContact O-NH1 2.91Å; P74-R120 VanDerWaalsContact O-NH1 3.13Å; P74-P310 HydrophobicContact CG-CB 3.35Å; P74-P310 HydrophobicContact CG-CG 3.84Å
75	R	89.1	Confident	89.3	Confident	62 Å²	62	41.5 Å²	41.5	23%	0.234	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-21.6	172.7	-60	176.1	-70	-168.1	-17.9	112.4	L55 D73 N77 D98 P310 N311	L55-R75 HydrophobicContact CD1-CB 4.03Å; L55-R75 HydrophobicContact CD2-CB 4.38Å; D73-R75 PolarHBondContact O-N 3.23Å; D73-R75 VanDerWaalsContact O-N 3.1Å; D73-R75 VanDerWaalsContact OD1-CB 3.3Å; D73-R75 WeakPolarHBondContact OD1-CB 3.23Å; D73-R75 PolarHBondContact OD1-N 3.39Å; D73-R75 IonicContact OD1-NE 2.85Å; D73-R75 PolarHBondContact OD1-NE 3.4Å; D73-R75 IonicContact OD1-NH2 3.7Å; D73-R75 IonicContact OD2-CZ 2.86Å; D73-R75 IonicContact OD2-NE 3.74Å; D73-R75 IonicContact OD2-NH2 3.56Å; D73-R75 PolarHBondContact OD2-NH2 3.43Å; R75-N77 PolarHBondContact O-N 3.48Å; R75-N77 PolarHBondContact O-ND2 3.23Å; R75-D98 HydrophobicContact CB-CB 4.48Å; R75-D98 WeakPolarHBondContact O-CB 3.25Å; R75-P310 PolarHBondContact NH2-O 2.86Å; R75-N311 WeakPolarHBondContact CD-OD1 3.17Å; R75-N311 PolarHBondContact NE-OD1 2.02Å
76	C	93.5	Very high	88.1	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	23%	0.233	C	C	.	.			trans	-69.6	122.7	179.1	-171.2	0	0	0	0	109.7	L55 C70 D73	L55-C76 HydrophobicContact CD1-CB 3.73Å; C70-C76 WeakPolarHBondContact CA-SG 3.03Å; C70-C76 HydrophobicContact CB-CB 4.04Å; C70-C76 WeakPolarHBondContact CB-SG 3.31Å; C70-C76 WeakPolarHBondContact O-CB 3.17Å; C70-C76 VanDerWaalsContact SG-C 3.55Å; C70-C76 WeakPolarHBondContact SG-CB 3.43Å; C70-C76 CovalentContact SG-SG 2.02Å; C70-C76 PolarHBondContact SG-SG 3.16Å; D73-C76 HydrophobicContact CB-CB 4.15Å; D73-C76 VanDerWaalsContact O-CB 3.3Å; D73-C76 WeakPolarHBondContact O-CB 3.39Å; D73-C76 PolarHBondContact O-N 2.93Å
77	N	94.1	Very high	86.7	Confident	10 Å²	10	56.6 Å²	56.6	5%	0.053	28%	0.276	C	S	.	.			trans	-131.3	-7.6	177.1	53.6	41.1	0	0	0	112.6	R75 F97 D98 C99 V100 I119 R120 T123	R75-N77 PolarHBondContact O-N 3.48Å; R75-N77 PolarHBondContact O-ND2 3.23Å; N77-F97 PolarHBondContact N-O 3.02Å; N77-F97 VanDerWaalsContact N-O 3.12Å; N77-F97 PolarHBondContact OD1-O 3.1Å; N77-D98 PolarHBondContact ND2-OD1 3.01Å; N77-C99 PolarHBondContact ND2-N 2.97Å; N77-C99 WeakPolarHBondContact OD1-CA 3.38Å; N77-C99 VanDerWaalsContact OD1-CB 3.24Å; N77-C99 WeakPolarHBondContact OD1-CB 3.29Å; N77-C99 PolarHBondContact OD1-N 3.13Å; N77-V100 WeakPolarHBondContact ND2-CG2 3.34Å; N77-V100 PolarHBondContact ND2-N 3.02Å; N77-I119 WeakPolarHBondContact O-CA 3.48Å; N77-R120 HydrophobicContact CB-CB 4.25Å; N77-R120 PolarHBondContact O-N 3.48Å; N77-T123 HydrophobicContact CB-CG2 4.19Å; N77-T123 WeakPolarHBondContact CB-OG1 3.43Å
78	L	95	Very high	85.3	Confident	1 Å²	1	56 Å²	56	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.6	169.8	172.4	66.1	0	0	0	110	L42 F97 C99 F109 Y118 I119	L42-L78 HydrophobicContact CB-CD2 4.36Å; L42-L78 HydrophobicContact CD1-CD2 4Å; L42-L78 HydrophobicContact CD2-CD2 4.22Å; L42-L78 HydrophobicContact CG-CD2 4.44Å; L78-F97 HydrophobicContact CB-CB 4.08Å; L78-F97 HydrophobicContact CD2-CB 4.12Å; L78-F97 HydrophobicContact CG-CB 4.33Å; L78-F97 PolarHBondContact N-O 2.92Å; L78-F97 VanDerWaalsContact N-O 3.14Å; L78-F97 PolarHBondContact O-N 3.48Å; L78-C99 WeakPolarHBondContact CB-SG 3.38Å; L78-C99 WeakPolarHBondContact CD2-SG 3.34Å; L78-F109 HydrophobicContact CD1-CE1 3.88Å; L78-F109 HydrophobicContact CD1-CZ 3.91Å; L78-F109 HydrophobicContact CD2-CE1 3.86Å; L78-F109 HydrophobicContact CD2-CZ 3.88Å; L78-Y118 WeakPolarHBondContact CA-O 2.97Å; L78-I119 HydrophobicContact CD1-CG1 3.8Å
79	A	94.7	Very high	84	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121	167.5	0	0	0	0	0	108.9	C70 L96 Y118	C70-A79 HydrophobicContact CB-CB 3.88Å; A79-L96 HydrophobicContact CB-CD2 4.02Å; A79-Y118 PolarHBondContact N-O 3.4Å; A79-Y118 PolarHBondContact O-N 3.02Å
80	L	93.8	Very high	83.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.2	-177.5	-179.5	72.7	0	0	0	109.4	V41 L42 C94 V95 Y115 L352	V41-L80 HydrophobicContact CG2-CD1 4.3Å; V41-L80 HydrophobicContact CG2-CD2 3.94Å; L42-L80 HydrophobicContact CB-CD2 4.42Å; L80-C94 CarbonylContact O-C 3.57Å; L80-C94 WeakPolarHBondContact O-CA 3.21Å; L80-V95 HydrophobicContact CB-CB 4.37Å; L80-V95 PolarHBondContact N-O 3.14Å; L80-V95 PolarHBondContact O-N 3.2Å; L80-Y115 HydrophobicContact CD1-CD1 4.07Å; L80-Y115 HydrophobicContact CD2-CD1 4.29Å; L80-Y115 HydrophobicContact CD2-CE1 4.47Å; L80-Y115 HydrophobicContact CG-CD1 4.21Å; L80-L352 HydrophobicContact CD2-CD2 3.74Å
81	L	92.1	Very high	83	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.9	178	-167.4	68.5	0	0	0	109.5	V60 D63 C66 R92 C94 K116 Y118	V60-L81 HydrophobicContact CG2-CD1 3.58Å; D63-L81 HydrophobicContact CB-CD2 3.59Å; D63-L81 WeakPolarHBondContact OD1-CD2 2.98Å; C66-L81 HydrophobicContact CB-CD1 4.23Å; L81-R92 HydrophobicContact CD1-CB 3.82Å; L81-R92 VanDerWaalsContact CD2-NH1 3.31Å; L81-R92 HydrophobicContact CG-CB 4.38Å; L81-C94 HydrophobicContact CD1-CB 4.21Å; L81-K116 HydrophobicContact CB-CB 4.32Å; L81-K116 PolarHBondContact N-O 3.29Å; L81-K116 PolarHBondContact O-N 2.92Å; L81-Y118 HydrophobicContact CB-CE2 4.22Å
82	E	90.2	Very high	83.1	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.009	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-74.5	160.5	-177.4	-63.8	-176.9	160.8	0	0	112.7	R92 T93 V95 Y115 R351	E82-R92 PolarHBondContact O-NE 2.96Å; E82-R92 PolarHBondContact O-NH2 3.46Å; E82-T93 PolarHBondContact N-O 3.15Å; E82-T93 WeakPolarHBondContact OE2-CB 3.28Å; E82-V95 HydrophobicContact CG-CG2 4.18Å; E82-Y115 HydrophobicContact CB-CE1 4.13Å; E82-Y115 HydrophobicContact CG-CD1 4.47Å; E82-Y115 HydrophobicContact CG-CE1 3.86Å; E82-R351 VanDerWaalsContact CD-NE 3.34Å; E82-R351 IonicContact OE1-CZ 3.81Å; E82-R351 IonicContact OE1-NE 3.31Å; E82-R351 PolarHBondContact OE1-NE 3.22Å; E82-R351 IonicContact OE1-NH2 3.88Å; E82-R351 PolarHBondContact OE1-NH2 3.11Å; E82-R351 IonicContact OE2-CZ 2.74Å; E82-R351 IonicContact OE2-NE 3.99Å; E82-R351 PolarHBondContact OE2-NE 2.92Å; E82-R351 IonicContact OE2-NH1 3.65Å; E82-R351 PolarHBondContact OE2-NH1 2.78Å; E82-R351 IonicContact OE2-NH2 3.64Å; E82-R351 PolarHBondContact OE2-NH2 3.44Å
83	P	87.3	Confident	83.4	Confident	41 Å²	41	61.9 Å²	61.9	27%	0.266	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-52.7	155.2	172.7	-23.3	32.2	0	0	0	112.1	D85 Y115	P83-D85 PolarHBondContact O-N 2.93Å; P83-Y115 VanDerWaalsContact CD-CE2 3.41Å; P83-Y115 VanDerWaalsContact CD-CZ 3.41Å; P83-Y115 HydrophobicContact CG-CD2 3.64Å; P83-Y115 HydrophobicContact CG-CE2 3.48Å; P83-Y115 VanDerWaalsContact CG-CE2 3.48Å; P83-Y115 HydrophobicContact CG-CG 4.25Å
84	R	82.6	Confident	83.7	Confident	173 Å²	173	61 Å²	61	65%	0.653	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-68	122.9	173.4	-68.6	-177.2	178.5	-145.4	-3.4	108.7	E86 R92	R84-E86 PolarHBondContact O-N 3.44Å; R84-R92 HydrophobicContact CG-CG 3.89Å
85	D	73	Confident	84.1	Confident	73 Å²	73	57.7 Å²	57.7	39%	0.39	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-68.1	127.1	169.5	-71.6	-39.4	0	0	0	108	P83 E87 A88 R351	P83-D85 PolarHBondContact O-N 2.93Å; D85-E87 PolarHBondContact O-N 3.32Å; D85-E87 VanDerWaalsContact O-N 3.08Å; D85-A88 HydrophobicContact CB-CB 4.13Å; D85-A88 PolarHBondContact O-N 2.79Å; D85-A88 VanDerWaalsContact O-N 3.12Å; D85-R351 IonicContact OD1-NH1 3.78Å; D85-R351 IonicContact OD2-NH1 3.4Å; D85-R351 PolarHBondContact OD2-NH1 2.74Å
86	E	64.3	Low	84.3	Confident	191 Å²	191	55 Å²	55	89%	0.893	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.1	-177.8	-64.8	-172	167.5	0	0	112.9	R84	R84-E86 PolarHBondContact O-N 3.44Å
87	E	63.8	Low	84.4	Confident	194 Å²	194	55 Å²	55	91%	0.907	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-22.2	179.6	-63.6	-180	171.7	0	0	113.8	D85	D85-E87 PolarHBondContact O-N 3.32Å; D85-E87 VanDerWaalsContact O-N 3.08Å
88	A	60.7	Low	84.5	Confident	37 Å²	37	56 Å²	56	31%	0.306	28%	0.278	S	S	.	.			trans	-109.7	86.1	-177.3	0	0	0	0	0	110	D85 D90	D85-A88 HydrophobicContact CB-CB 4.13Å; D85-A88 PolarHBondContact O-N 2.79Å; D85-A88 VanDerWaalsContact O-N 3.12Å; A88-D90 VanDerWaalsContact C-N 3.32Å; A88-D90 PolarHBondContact O-N 3.31Å
89	Q	60.7	Low	84.5	Confident	166 Å²	166	55.9 Å²	55.9	78%	0.776	28%	0.277	S	S	*	.	S	Bend	trans	-68.9	-20.3	-166.9	-87.5	156.2	-14.5	0	0	115.9
90	D	75.6	Confident	84.4	Confident	142 Å²	142	57.4 Å²	57.4	76%	0.759	29%	0.286	S	S	*	.	S	Bend	trans	-119.1	-7.2	-170.7	-80.6	-18.5	0	0	0	116.3	A88	A88-D90 VanDerWaalsContact C-N 3.32Å; A88-D90 PolarHBondContact O-N 3.31Å
91	T	86	Confident	84.3	Confident	69 Å²	69	59.9 Å²	59.9	42%	0.423	30%	0.298	S	S	.	.			trans	-137.6	139.5	-178.1	61.7	0	0	0	0	112.8	V60	V60-T91 CarbonylContact O-C 3.55Å; V60-T91 WeakPolarHBondContact O-CA 2.94Å
92	R	89.2	Confident	84	Confident	24 Å²	24	61.9 Å²	61.9	9%	0.091	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	154.4	172.3	-66.3	178.9	74.6	177.4	1.1	110.6	A59 V60 D63 L81 E82 R84 G114	A59-R92 WeakPolarHBondContact CA-O 3.43Å; V60-R92 HydrophobicContact CG2-CB 4.32Å; V60-R92 WeakPolarHBondContact CG2-O 3.36Å; V60-R92 PolarHBondContact N-O 3.1Å; V60-R92 PolarHBondContact O-N 2.91Å; D63-R92 WeakPolarHBondContact OD1-CD 3.2Å; D63-R92 IonicContact OD1-CZ 3.6Å; D63-R92 IonicContact OD1-NE 3.83Å; D63-R92 IonicContact OD1-NH1 2.81Å; D63-R92 PolarHBondContact OD1-NH1 3.31Å; D63-R92 IonicContact OD2-NH1 2.75Å; D63-R92 PolarHBondContact OD2-NH1 2.91Å; L81-R92 HydrophobicContact CD1-CB 3.82Å; L81-R92 VanDerWaalsContact CD2-NH1 3.31Å; L81-R92 HydrophobicContact CG-CB 4.38Å; E82-R92 PolarHBondContact O-NE 2.96Å; E82-R92 PolarHBondContact O-NH2 3.46Å; R84-R92 HydrophobicContact CG-CG 3.89Å; R92-G114 PolarHBondContact NH2-O 3.5Å
93	T	91.6	Very high	83.8	Confident	26 Å²	26	62.6 Å²	62.6	16%	0.16	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.2	174.4	-55.8	0	0	0	0	109.5	T57 E82 V95 T348	T57-T93 HydrophobicContact CG2-CG2 3.42Å; T57-T93 VanDerWaalsContact CG2-CG2 3.42Å; E82-T93 PolarHBondContact N-O 3.15Å; E82-T93 WeakPolarHBondContact OE2-CB 3.28Å; T93-V95 HydrophobicContact CG2-CG2 4.12Å; T93-T348 HydrophobicContact CG2-CG2 4.35Å
94	C	93.5	Very high	83.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127	170.8	176.4	0	0	0	0	109.1	T57 Q58 V60 C66 L80 L81 L96	T57-C94 CarbonylContact C-O 3.51Å; T57-C94 WeakPolarHBondContact CA-O 3.27Å; Q58-C94 HydrophobicContact CB-CB 4.47Å; Q58-C94 PolarHBondContact N-O 2.98Å; Q58-C94 PolarHBondContact O-N 3.48Å; V60-C94 HydrophobicContact CG1-CB 3.92Å; V60-C94 HydrophobicContact CG2-CB 3.99Å; C66-C94 WeakPolarHBondContact CA-SG 3.32Å; C66-C94 HydrophobicContact CB-CB 3.73Å; C66-C94 WeakPolarHBondContact CB-SG 3.36Å; C66-C94 WeakPolarHBondContact SG-CB 3.39Å; C66-C94 CovalentContact SG-SG 2.03Å; C66-C94 PolarHBondContact SG-SG 3.18Å; L80-C94 CarbonylContact O-C 3.57Å; L80-C94 WeakPolarHBondContact O-CA 3.21Å; L81-C94 HydrophobicContact CD1-CB 4.21Å; C94-L96 VanDerWaalsContact SG-CD2 3.6Å
95	V	94.6	Very high	84.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.8	-178.6	-164.4	0	0	0	0	109.3	L54 L80 E82 T93 F97 T348 L352	L54-V95 HydrophobicContact CD1-CG1 3.27Å; L80-V95 HydrophobicContact CB-CB 4.37Å; L80-V95 PolarHBondContact N-O 3.14Å; L80-V95 PolarHBondContact O-N 3.2Å; E82-V95 HydrophobicContact CG-CG2 4.18Å; T93-V95 HydrophobicContact CG2-CG2 4.12Å; V95-F97 HydrophobicContact CB-CE2 4.3Å; V95-F97 HydrophobicContact CG1-CD2 3.96Å; V95-F97 HydrophobicContact CG1-CE2 3.47Å; V95-F97 VanDerWaalsContact CG1-CE2 3.47Å; V95-F97 HydrophobicContact CG1-CZ 4.4Å; V95-T348 HydrophobicContact CG1-CG2 4.19Å; V95-T348 HydrophobicContact CG2-CG2 3.59Å; V95-L352 HydrophobicContact CG1-CD1 4.04Å
96	L	94.6	Very high	84.9	Confident	5 Å²	5	54 Å²	54	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.8	-174.3	-56.4	-171.4	0	0	0	110.3	L55 D56 Q69 C70 A79 C94	L55-L96 HydrophobicContact CB-CB 4.28Å; L55-L96 PolarHBondContact N-O 3.32Å; D56-L96 HydrophobicContact CB-CB 4.39Å; D56-L96 HydrophobicContact CB-CD1 4.2Å; D56-L96 PolarHBondContact O-N 2.76Å; Q69-L96 HydrophobicContact CB-CD1 4.25Å; C70-L96 HydrophobicContact CB-CD2 3.81Å; A79-L96 HydrophobicContact CB-CD2 4.02Å; C94-L96 VanDerWaalsContact SG-CD2 3.6Å
97	F	95.7	Very high	86.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.7	-179.2	-84.4	-91.5	0	0	0	112.2	L42 V48 A53 L54 N77 L78 V95 L352	L42-F97 HydrophobicContact CD2-CD1 3.64Å; L42-F97 HydrophobicContact CD2-CD2 3.87Å; L42-F97 HydrophobicContact CD2-CE1 3.56Å; L42-F97 HydrophobicContact CD2-CE2 3.77Å; L42-F97 HydrophobicContact CD2-CG 3.8Å; L42-F97 HydrophobicContact CD2-CZ 3.63Å; V48-F97 HydrophobicContact CG2-CE1 4.36Å; A53-F97 WeakPolarHBondContact O-CA 3.3Å; L54-F97 HydrophobicContact CB-CD1 4.37Å; L54-F97 HydrophobicContact CB-CE1 3.83Å; L54-F97 HydrophobicContact CB-CZ 4.1Å; L54-F97 HydrophobicContact CD1-CD2 4.23Å; L54-F97 HydrophobicContact CD1-CE1 4.22Å; L54-F97 HydrophobicContact CD1-CE2 3.74Å; L54-F97 HydrophobicContact CD1-CZ 3.73Å; L54-F97 HydrophobicContact CG-CZ 4.43Å; N77-F97 PolarHBondContact N-O 3.02Å; N77-F97 VanDerWaalsContact N-O 3.12Å; N77-F97 PolarHBondContact OD1-O 3.1Å; L78-F97 HydrophobicContact CB-CB 4.08Å; L78-F97 HydrophobicContact CD2-CB 4.12Å; L78-F97 HydrophobicContact CG-CB 4.33Å; L78-F97 PolarHBondContact N-O 2.92Å; L78-F97 VanDerWaalsContact N-O 3.14Å; L78-F97 PolarHBondContact O-N 3.48Å; V95-F97 HydrophobicContact CB-CE2 4.3Å; V95-F97 HydrophobicContact CG1-CD2 3.96Å; V95-F97 HydrophobicContact CG1-CE2 3.47Å; V95-F97 VanDerWaalsContact CG1-CE2 3.47Å; V95-F97 HydrophobicContact CG1-CZ 4.4Å; F97-L352 HydrophobicContact CE2-CD1 3.69Å; F97-L352 HydrophobicContact CZ-CD1 3.78Å
98	D	95	Very high	87.3	Confident	31 Å²	31	38.3 Å²	38.3	17%	0.166	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	108.4	157.4	-174.5	-0.3	0	0	0	109	A52 A53 L55 R75 N77 V100	A52-D98 CarbonylContact C-O 3.55Å; A52-D98 WeakPolarHBondContact CA-O 3.12Å; A52-D98 WeakPolarHBondContact CB-O 3.27Å; A53-D98 HydrophobicContact CB-CB 4.24Å; A53-D98 PolarHBondContact N-O 2.94Å; A53-D98 PolarHBondContact O-N 3.35Å; L55-D98 HydrophobicContact CD1-CB 4.12Å; L55-D98 HydrophobicContact CD2-CB 4.1Å; L55-D98 HydrophobicContact CG-CB 4.23Å; R75-D98 HydrophobicContact CB-CB 4.48Å; R75-D98 WeakPolarHBondContact O-CB 3.25Å; N77-D98 PolarHBondContact ND2-OD1 3.01Å; D98-V100 PolarHBondContact OD1-N 2.78Å
99	C	95.4	Very high	88.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.			trans	-92.4	3	177.2	-70.8	0	0	0	0	113.9	N77 L78 F105 V106 C107	N77-C99 PolarHBondContact ND2-N 2.97Å; N77-C99 WeakPolarHBondContact OD1-CA 3.38Å; N77-C99 VanDerWaalsContact OD1-CB 3.24Å; N77-C99 WeakPolarHBondContact OD1-CB 3.29Å; N77-C99 PolarHBondContact OD1-N 3.13Å; L78-C99 WeakPolarHBondContact CB-SG 3.38Å; L78-C99 WeakPolarHBondContact CD2-SG 3.34Å; C99-F105 HydrophobicContact CB-CD2 4.06Å; C99-F105 HydrophobicContact CB-CE2 3.62Å; C99-F105 HydrophobicContact CB-CZ 4.22Å; C99-F105 WeakPolarHBondContact O-CA 3.23Å; C99-V106 WeakPolarHBondContact O-CG2 3.34Å; C99-V106 PolarHBondContact O-N 3.44Å; C99-C107 WeakPolarHBondContact CA-SG 3.29Å; C99-C107 HydrophobicContact CB-CB 3.53Å; C99-C107 WeakPolarHBondContact CB-SG 3.29Å; C99-C107 WeakPolarHBondContact SG-CB 3.39Å; C99-C107 CovalentContact SG-SG 2.01Å; C99-C107 PolarHBondContact SG-SG 2.84Å
100	V	92.9	Very high	89.5	Confident	31 Å²	31	29.7 Å²	29.7	19%	0.188	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	96	-179.2	179.6	0	0	0	0	108.7	N77 D98 R104 F105 T123 Y127	N77-V100 WeakPolarHBondContact ND2-CG2 3.34Å; N77-V100 PolarHBondContact ND2-N 3.02Å; D98-V100 PolarHBondContact OD1-N 2.78Å; V100-R104 CarbonylContact C-O 3.54Å; V100-R104 VanDerWaalsContact CA-O 3.28Å; V100-R104 WeakPolarHBondContact CA-O 3.47Å; V100-F105 HydrophobicContact CG2-CD2 4.36Å; V100-T123 HydrophobicContact CG2-CG2 3.9Å; V100-Y127 HydrophobicContact CG1-CE2 4.4Å; V100-Y127 HydrophobicContact CG2-CD2 4.39Å; V100-Y127 HydrophobicContact CG2-CE2 3.77Å
101	H	91.2	Very high	89.7	Confident	53 Å²	53	26.3 Å²	26.3	25%	0.245	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116	174.6	-170.6	77.3	0	0	0	109.5	G51 N103 R104 V106	G51-H101 PolarHBondContact O-ND1 2.99Å; H101-N103 PolarHBondContact O-N 2.93Å; H101-R104 PolarHBondContact N-O 3.38Å; H101-R104 WeakPolarHBondContact O-CB 3.48Å; H101-R104 PolarHBondContact O-N 3.5Å; H101-V106 HydrophobicContact CB-CG1 3.99Å; H101-V106 HydrophobicContact CB-CG2 3.94Å
102	K	86.1	Confident	89.4	Confident	41 Å²	41	25.9 Å²	25.9	18%	0.178	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	57.8	176.8	-67.3	179.3	171.3	179.2	0	112	R104 P143 D144 E280	K102-R104 PolarHBondContact O-N 3.36Å; K102-P143 HydrophobicContact CB-CB 3.9Å; K102-P143 WeakPolarHBondContact O-CA 3.34Å; K102-P143 WeakPolarHBondContact O-CB 3.4Å; K102-D144 HydrophobicContact CB-CB 4.06Å; K102-D144 WeakPolarHBondContact CD-O 3.35Å; K102-D144 HydrophobicContact CG-CB 4.27Å; K102-D144 PolarHBondContact O-N 2.89Å; K102-E280 IonicContact NZ-OE1 2.97Å; K102-E280 PolarHBondContact NZ-OE1 3.41Å; K102-E280 IonicContact NZ-OE2 3.62Å; K102-E280 PolarHBondContact NZ-OE2 3.23Å
103	N	85.4	Confident	89.1	Confident	17 Å²	17	28.3 Å²	28.3	9%	0.091	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	15	178	-151.5	50.9	0	0	0	116	H101 R126 Y127 G142 D219 T220	H101-N103 PolarHBondContact O-N 2.93Å; N103-R126 PolarHBondContact ND2-NH2 2.94Å; N103-R126 VanDerWaalsContact ND2-NH2 3.17Å; N103-R126 VanDerWaalsContact OD1-CZ 3.23Å; N103-R126 PolarHBondContact OD1-NH1 2.97Å; N103-R126 PolarHBondContact OD1-NH2 3.3Å; N103-Y127 PolarHBondContact O-OH 3.27Å; N103-G142 PolarHBondContact ND2-O 2.89Å; N103-D219 PolarHBondContact ND2-OD2 2.94Å; N103-T220 PolarHBondContact ND2-O 3.46Å; N103-T220 VanDerWaalsContact ND2-O 3.11Å
104	R	86.3	Confident	88.8	Confident	77 Å²	77	28.7 Å²	28.7	29%	0.291	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.4	173.7	178.7	179.5	155.7	-158.4	-12	110.7	D50 V100 H101 K102 V106 R369	D50-R104 IonicContact OD2-NH2 3.35Å; D50-R104 PolarHBondContact OD2-NH2 3.49Å; V100-R104 CarbonylContact C-O 3.54Å; V100-R104 VanDerWaalsContact CA-O 3.28Å; V100-R104 WeakPolarHBondContact CA-O 3.47Å; H101-R104 PolarHBondContact N-O 3.38Å; H101-R104 WeakPolarHBondContact O-CB 3.48Å; H101-R104 PolarHBondContact O-N 3.5Å; K102-R104 PolarHBondContact O-N 3.36Å; R104-V106 HydrophobicContact CB-CG1 4.47Å; R104-V106 HydrophobicContact CG-CG1 4.08Å; R104-R369 VanDerWaalsContact NH1-CZ 3.26Å; R104-R369 VanDerWaalsContact NH1-NH2 3.12Å
105	F	89.9	Confident	88.5	Confident	26 Å²	26	29.4 Å²	29.4	11%	0.114	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.6	169.8	-169.3	-98.3	0	0	0	110.2	C99 V100 C107 F109 I119 T123 Y127 L128	C99-F105 HydrophobicContact CB-CD2 4.06Å; C99-F105 HydrophobicContact CB-CE2 3.62Å; C99-F105 HydrophobicContact CB-CZ 4.22Å; C99-F105 WeakPolarHBondContact O-CA 3.23Å; V100-F105 HydrophobicContact CG2-CD2 4.36Å; F105-C107 HydrophobicContact CE1-CB 4.04Å; F105-C107 WeakPolarHBondContact CE1-O 3.46Å; F105-C107 HydrophobicContact CE2-CB 4.44Å; F105-C107 HydrophobicContact CZ-CB 3.84Å; F105-F109 HydrophobicContact CE1-CE2 4.26Å; F105-F109 AromaticContact CZ-CE2 3.97Å; F105-F109 HydrophobicContact CZ-CE2 3.97Å; F105-I119 HydrophobicContact CZ-CD1 4.48Å; F105-T123 HydrophobicContact CD2-CG2 3.85Å; F105-T123 HydrophobicContact CE2-CG2 3.89Å; F105-Y127 HydrophobicContact CB-CD1 3.78Å; F105-Y127 HydrophobicContact CB-CD2 3.93Å; F105-Y127 HydrophobicContact CB-CE1 4.35Å; F105-Y127 HydrophobicContact CB-CE2 4.48Å; F105-Y127 HydrophobicContact CB-CG 3.54Å; F105-Y127 HydrophobicContact CD2-CD2 4.11Å; F105-Y127 HydrophobicContact CD2-CG 4.35Å; F105-Y127 HydrophobicContact CG-CD2 4.38Å; F105-Y127 HydrophobicContact CG-CG 4.18Å; F105-L128 HydrophobicContact CD1-CD2 4.18Å; F105-L128 HydrophobicContact CE1-CD1 4.4Å; F105-L128 HydrophobicContact CE1-CD2 3.82Å; F105-L128 HydrophobicContact CE1-CG 4.44Å; F105-L128 HydrophobicContact CE2-CD1 4.41Å; F105-L128 HydrophobicContact CZ-CD1 3.99Å; F105-L128 HydrophobicContact CZ-CD2 4.24Å; F105-L128 HydrophobicContact CZ-CG 4.42Å
106	V	91	Very high	88.3	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.03	17%	0.173	C	C	.	.			trans	-120.9	-6.4	-170.7	-67.1	0	0	0	0	113.9	D50 A52 C99 H101 R104	D50-V106 HydrophobicContact CB-CB 3.77Å; D50-V106 HydrophobicContact CB-CG1 4.01Å; D50-V106 WeakPolarHBondContact O-CG1 3.37Å; A52-V106 HydrophobicContact CB-CG2 3.92Å; C99-V106 WeakPolarHBondContact O-CG2 3.34Å; C99-V106 PolarHBondContact O-N 3.44Å; H101-V106 HydrophobicContact CB-CG1 3.99Å; H101-V106 HydrophobicContact CB-CG2 3.94Å; R104-V106 HydrophobicContact CB-CG1 4.47Å; R104-V106 HydrophobicContact CG-CG1 4.08Å
107	C	91.2	Very high	88.1	Confident	8 Å²	8	32.2 Å²	32.2	5%	0.054	17%	0.172	C	C	.	.			trans	-77.1	133	178.3	-77.8	0	0	0	0	112	L42 C99 F105 F109	L42-C107 HydrophobicContact CD1-CB 3.36Å; L42-C107 WeakPolarHBondContact CD1-SG 3.21Å; C99-C107 WeakPolarHBondContact CA-SG 3.29Å; C99-C107 HydrophobicContact CB-CB 3.53Å; C99-C107 WeakPolarHBondContact CB-SG 3.29Å; C99-C107 WeakPolarHBondContact SG-CB 3.39Å; C99-C107 CovalentContact SG-SG 2.01Å; C99-C107 PolarHBondContact SG-SG 2.84Å; F105-C107 HydrophobicContact CE1-CB 4.04Å; F105-C107 WeakPolarHBondContact CE1-O 3.46Å; F105-C107 HydrophobicContact CE2-CB 4.44Å; F105-C107 HydrophobicContact CZ-CB 3.84Å; C107-F109 HydrophobicContact CB-CE2 4.2Å; C107-F109 HydrophobicContact CB-CZ 4.31Å
108	R	85.9	Confident	87.9	Confident	47 Å²	47	33 Å²	33	18%	0.177	18%	0.175	C	C	.	.			trans	-113.7	144.7	173.5	-59.8	-178.1	-170.5	147.3	10.8	109.1	L42 D43 D46 D50 E366	L42-R108 WeakPolarHBondContact CA-O 3.36Å; L42-R108 WeakPolarHBondContact CD1-O 3.49Å; D43-R108 HydrophobicContact CB-CB 4.44Å; D43-R108 PolarHBondContact N-O 3.45Å; D46-R108 IonicContact OD2-CZ 2.54Å; D46-R108 IonicContact OD2-NH1 2.86Å; D46-R108 PolarHBondContact OD2-NH1 2.71Å; D50-R108 IonicContact OD1-NH2 3.22Å; D50-R108 IonicContact OD2-CZ 3.95Å; D50-R108 IonicContact OD2-NH2 3.66Å; D50-R108 PolarHBondContact OD2-NH2 2.83Å; R108-E366 IonicContact CZ-OE1 3.47Å; R108-E366 IonicContact CZ-OE2 2.71Å; R108-E366 IonicContact NE-OE1 3.68Å; R108-E366 PolarHBondContact NE-OE1 2.02Å; R108-E366 IonicContact NE-OE2 3.17Å; R108-E366 IonicContact NH2-OE1 3.63Å
109	F	85.9	Confident	87.8	Confident	11 Å²	11	31.5 Å²	31.5	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.9	-177.9	-60	-93.7	0	0	0	110.8	F40 V41 L42 L78 F105 C107 I119 F423	F40-F109 HydrophobicContact CB-CB 4.26Å; F40-F109 HydrophobicContact CD1-CB 4Å; V41-F109 CarbonylContact O-C 3.21Å; V41-F109 WeakPolarHBondContact O-CA 3.34Å; L42-F109 HydrophobicContact CD1-CE1 4.44Å; L78-F109 HydrophobicContact CD1-CE1 3.88Å; L78-F109 HydrophobicContact CD1-CZ 3.91Å; L78-F109 HydrophobicContact CD2-CE1 3.86Å; L78-F109 HydrophobicContact CD2-CZ 3.88Å; F105-F109 HydrophobicContact CE1-CE2 4.26Å; F105-F109 AromaticContact CZ-CE2 3.97Å; F105-F109 HydrophobicContact CZ-CE2 3.97Å; C107-F109 HydrophobicContact CB-CE2 4.2Å; C107-F109 HydrophobicContact CB-CZ 4.31Å; F109-I119 HydrophobicContact CE2-CD1 4.11Å; F109-I119 HydrophobicContact CZ-CD1 3.83Å; F109-F423 HydrophobicContact CB-CB 3.82Å; F109-F423 HydrophobicContact CB-CD2 3.56Å; F109-F423 HydrophobicContact CB-CE2 4.31Å; F109-F423 HydrophobicContact CB-CG 3.73Å; F109-F423 AromaticContact CD1-CD2 3.93Å; F109-F423 HydrophobicContact CD1-CD2 3.93Å; F109-F423 AromaticContact CD1-CE2 3.8Å; F109-F423 HydrophobicContact CD1-CE2 3.8Å; F109-F423 HydrophobicContact CD1-CG 4.49Å; F109-F423 HydrophobicContact CD1-CZ 4.28Å; F109-F423 HydrophobicContact CD2-CB 4.07Å; F109-F423 AromaticContact CD2-CD1 3.46Å; F109-F423 HydrophobicContact CD2-CD1 3.46Å; F109-F423 VanDerWaalsContact CD2-CD1 3.46Å; F109-F423 AromaticContact CD2-CD2 3.72Å; F109-F423 HydrophobicContact CD2-CD2 3.72Å; F109-F423 AromaticContact CD2-CE1 3.78Å; F109-F423 HydrophobicContact CD2-CE1 3.78Å; F109-F423 HydrophobicContact CD2-CE2 4.01Å; F109-F423 AromaticContact CD2-CG 3.43Å; F109-F423 HydrophobicContact CD2-CG 3.43Å; F109-F423 VanDerWaalsContact CD2-CG 3.43Å; F109-F423 HydrophobicContact CD2-CZ 4.05Å; F109-F423 HydrophobicContact CE1-CE2 4.06Å; F109-F423 HydrophobicContact CE1-CZ 4.12Å; F109-F423 AromaticContact CE2-CD1 3.75Å; F109-F423 HydrophobicContact CE2-CD1 3.75Å; F109-F423 HydrophobicContact CE2-CD2 4.38Å; F109-F423 AromaticContact CE2-CE1 3.6Å; F109-F423 HydrophobicContact CE2-CE1 3.6Å; F109-F423 HydrophobicContact CE2-CE2 4.25Å; F109-F423 HydrophobicContact CE2-CG 4.14Å; F109-F423 AromaticContact CE2-CZ 3.87Å; F109-F423 HydrophobicContact CE2-CZ 3.87Å; F109-F423 HydrophobicContact CG-CB 4.24Å; F109-F423 HydrophobicContact CG-CD1 4.12Å; F109-F423 AromaticContact CG-CD2 3.46Å; F109-F423 HydrophobicContact CG-CD2 3.46Å; F109-F423 VanDerWaalsContact CG-CD2 3.46Å; F109-F423 HydrophobicContact CG-CE1 4.4Å; F109-F423 AromaticContact CG-CE2 3.78Å; F109-F423 HydrophobicContact CG-CE2 3.78Å; F109-F423 AromaticContact CG-CG 3.64Å; F109-F423 HydrophobicContact CG-CG 3.64Å; F109-F423 HydrophobicContact CG-CZ 4.25Å; F109-F423 HydrophobicContact CZ-CE1 4.09Å; F109-F423 HydrophobicContact CZ-CE2 4.28Å; F109-F423 AromaticContact CZ-CZ 3.92Å; F109-F423 HydrophobicContact CZ-CZ 3.92Å
110	V	82.2	Confident	87.6	Confident	10 Å²	10	34.9 Å²	34.9	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.5	-177.7	-59.1	0	0	0	0	109.2	F40 V41 D43 Q112 V355 V357 A362	F40-V110 VanDerWaalsContact CA-O 3.31Å; F40-V110 WeakPolarHBondContact CA-O 3.34Å; V41-V110 HydrophobicContact CG1-CG2 3.47Å; V41-V110 VanDerWaalsContact CG1-CG2 3.47Å; V41-V110 PolarHBondContact N-O 3.45Å; V41-V110 PolarHBondContact O-N 2.81Å; D43-V110 HydrophobicContact CB-CG1 4.19Å; V110-Q112 PolarHBondContact O-N 3.33Å; V110-V355 HydrophobicContact CG2-CG1 4.25Å; V110-V357 HydrophobicContact CB-CG1 4.41Å; V110-V357 HydrophobicContact CG1-CB 4.4Å; V110-V357 HydrophobicContact CG1-CG1 3.54Å; V110-V357 HydrophobicContact CG1-CG2 4.16Å; V110-V357 HydrophobicContact CG2-CG2 3.99Å; V110-A362 HydrophobicContact CG1-CB 4.35Å
111	N	79.9	Confident	87.4	Confident	72 Å²	72	38.6 Å²	38.6	39%	0.385	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.5	-178.9	-166.3	-44.4	0	0	0	110.4	N39 F40	N39-N111 CarbonylContact O-C 3.59Å; N39-N111 VanDerWaalsContact O-CA 3.24Å; N39-N111 WeakPolarHBondContact O-CA 3.5Å; N39-N111 PolarHBondContact O-OD1 3.24Å; F40-N111 HydrophobicContact CE1-CB 4.46Å
112	Q	80.2	Confident	87.3	Confident	59 Å²	59	38.3 Å²	38.3	28%	0.276	20%	0.195	S	C	.	.			trans	-147.1	118.8	179	-172	88.1	-5.4	0	0	109.3	N39 V41 V110 Y115 V355	N39-Q112 CarbonylContact C-O 3.59Å; N39-Q112 WeakPolarHBondContact CA-O 3.34Å; N39-Q112 PolarHBondContact O-N 3.3Å; V41-Q112 HydrophobicContact CB-CB 3.98Å; V41-Q112 HydrophobicContact CG1-CB 3.3Å; V41-Q112 HydrophobicContact CG1-CG 3.92Å; V110-Q112 PolarHBondContact O-N 3.33Å; Q112-Y115 HydrophobicContact CB-CD2 4.06Å; Q112-Y115 HydrophobicContact CB-CE2 4.5Å; Q112-Y115 HydrophobicContact CG-CD2 3.58Å; Q112-Y115 HydrophobicContact CG-CE2 3.59Å; Q112-V355 HydrophobicContact CG-CG1 4.27Å
113	A	81.9	Confident	87.5	Confident	75 Å²	75	37 Å²	37	62%	0.62	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	141.2	-176	0	0	0	0	0	113.2	N39 Y115	N39-A113 WeakPolarHBondContact OD1-CA 3.27Å; A113-Y115 VanDerWaalsContact C-N 3.34Å; A113-Y115 PolarHBondContact O-N 2.86Å
114	G	84.9	Confident	87.7	Confident	34 Å²	34	38.9 Å²	38.9	35%	0.351	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-10.9	171.8	0	0	0	0	0	115.9	N39 R92	N39-G114 PolarHBondContact OD1-N 3.47Å; R92-G114 PolarHBondContact NH2-O 3.5Å
115	Y	88.7	Confident	87.7	Confident	15 Å²	15	39.9 Å²	39.9	6%	0.059	20%	0.204	C	C	.	.			trans	-81.8	144.6	172.3	-73.9	-97.5	0	0	0	111.5	N39 V41 L80 E82 P83 Q112 A113 L352	N39-Y115 PolarHBondContact N-O 3.37Å; V41-Y115 HydrophobicContact CB-CD1 3.9Å; V41-Y115 HydrophobicContact CB-CD2 4.05Å; V41-Y115 HydrophobicContact CB-CE1 4.36Å; V41-Y115 HydrophobicContact CB-CG 3.71Å; V41-Y115 HydrophobicContact CG2-CD1 3.4Å; V41-Y115 VanDerWaalsContact CG2-CD1 3.4Å; V41-Y115 HydrophobicContact CG2-CD2 4.22Å; V41-Y115 HydrophobicContact CG2-CE1 3.51Å; V41-Y115 HydrophobicContact CG2-CE2 4.34Å; V41-Y115 HydrophobicContact CG2-CG 3.77Å; L80-Y115 HydrophobicContact CD1-CD1 4.07Å; L80-Y115 HydrophobicContact CD2-CD1 4.29Å; L80-Y115 HydrophobicContact CD2-CE1 4.47Å; L80-Y115 HydrophobicContact CG-CD1 4.21Å; E82-Y115 HydrophobicContact CB-CE1 4.13Å; E82-Y115 HydrophobicContact CG-CD1 4.47Å; E82-Y115 HydrophobicContact CG-CE1 3.86Å; P83-Y115 VanDerWaalsContact CD-CE2 3.41Å; P83-Y115 VanDerWaalsContact CD-CZ 3.41Å; P83-Y115 HydrophobicContact CG-CD2 3.64Å; P83-Y115 HydrophobicContact CG-CE2 3.48Å; P83-Y115 VanDerWaalsContact CG-CE2 3.48Å; P83-Y115 HydrophobicContact CG-CG 4.25Å; Q112-Y115 HydrophobicContact CB-CD2 4.06Å; Q112-Y115 HydrophobicContact CB-CE2 4.5Å; Q112-Y115 HydrophobicContact CG-CD2 3.58Å; Q112-Y115 HydrophobicContact CG-CE2 3.59Å; A113-Y115 VanDerWaalsContact C-N 3.34Å; A113-Y115 PolarHBondContact O-N 2.86Å; Y115-L352 HydrophobicContact CE1-CD2 4.24Å
116	K	90.1	Very high	87.4	Confident	63 Å²	63	43.1 Å²	43.1	27%	0.274	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.4	169.5	-62	-177.6	-180	177.5	0	109.5	D63 L81 Y118	D63-K116 IonicContact OD2-NZ 2.79Å; D63-K116 PolarHBondContact OD2-NZ 2.88Å; L81-K116 HydrophobicContact CB-CB 4.32Å; L81-K116 PolarHBondContact N-O 3.29Å; L81-K116 PolarHBondContact O-N 2.92Å; K116-Y118 HydrophobicContact CB-CE2 4.06Å
117	S	91.1	Very high	87.1	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.5	177.7	59.9	0	0	0	0	110.3	G36 F423	G36-S117 WeakPolarHBondContact CA-O 3.42Å; G36-S117 PolarHBondContact N-O 3.32Å; S117-F423 WeakPolarHBondContact OG-CE2 3.24Å
118	Y	91.6	Very high	86.8	Confident	16 Å²	16	44.2 Å²	44.2	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.2	175	-54.5	-88.6	0	0	0	108.3	E67 L78 A79 L81 K116	E67-Y118 HydrophobicContact CG-CD1 3.94Å; E67-Y118 HydrophobicContact CG-CD2 4.37Å; E67-Y118 HydrophobicContact CG-CG 3.84Å; E67-Y118 VanDerWaalsContact OE1-CD1 3.22Å; E67-Y118 WeakPolarHBondContact OE1-CD1 3.42Å; E67-Y118 VanDerWaalsContact OE1-CE1 3.25Å; E67-Y118 WeakPolarHBondContact OE1-CE1 3.5Å; L78-Y118 WeakPolarHBondContact CA-O 2.97Å; A79-Y118 PolarHBondContact N-O 3.4Å; A79-Y118 PolarHBondContact O-N 3.02Å; L81-Y118 HydrophobicContact CB-CE2 4.22Å; K116-Y118 HydrophobicContact CB-CE2 4.06Å
119	I	91.7	Very high	86.8	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.6	-179.6	-62.1	-178	0	0	0	109.1	F33 V34 N77 L78 F105 F109 R121 T123 L128 F423	F33-I119 CarbonylContact C-O 3.55Å; F33-I119 WeakPolarHBondContact CA-O 3.25Å; V34-I119 PolarHBondContact N-O 2.91Å; V34-I119 PolarHBondContact O-N 3.27Å; N77-I119 WeakPolarHBondContact O-CA 3.48Å; L78-I119 HydrophobicContact CD1-CG1 3.8Å; F105-I119 HydrophobicContact CZ-CD1 4.48Å; F109-I119 HydrophobicContact CE2-CD1 4.11Å; F109-I119 HydrophobicContact CZ-CD1 3.83Å; I119-R121 PolarHBondContact O-N 3.47Å; I119-T123 HydrophobicContact CG2-CG2 4.19Å; I119-L128 HydrophobicContact CD1-CD1 3.42Å; I119-L128 VanDerWaalsContact CD1-CD1 3.42Å; I119-L128 HydrophobicContact CG2-CD1 4.27Å; I119-F423 HydrophobicContact CD1-CE1 3.31Å; I119-F423 HydrophobicContact CD1-CZ 3.39Å; I119-F423 HydrophobicContact CG1-CZ 4.28Å
120	R	91.7	Very high	86.7	Confident	70 Å²	70	47.4 Å²	47.4	26%	0.264	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	132.8	176.5	-168.9	171.9	174.7	-176.7	-4.1	110.5	D31 F33 P74 N77 S122 T123 Y124	D31-R120 IonicContact OD2-CZ 2.73Å; D31-R120 VanDerWaalsContact OD2-CZ 3.22Å; D31-R120 IonicContact OD2-NE 3.09Å; D31-R120 PolarHBondContact OD2-NE 3.41Å; D31-R120 IonicContact OD2-NH2 3.41Å; D31-R120 PolarHBondContact OD2-NH2 3.35Å; F33-R120 HydrophobicContact CD1-CB 4.43Å; F33-R120 HydrophobicContact CE1-CB 4.01Å; F33-R120 HydrophobicContact CZ-CB 4.15Å; F33-R120 HydrophobicContact CZ-CG 4.36Å; P74-R120 PolarHBondContact O-NH1 2.91Å; P74-R120 VanDerWaalsContact O-NH1 3.13Å; N77-R120 HydrophobicContact CB-CB 4.25Å; N77-R120 PolarHBondContact O-N 3.48Å; R120-S122 PolarHBondContact O-N 2.84Å; R120-T123 WeakPolarHBondContact O-CA 3.28Å; R120-T123 WeakPolarHBondContact O-CB 3.27Å; R120-T123 PolarHBondContact O-N 3.36Å; R120-Y124 PolarHBondContact O-N 3.1Å
121	R	88.9	Confident	86.6	Confident	110 Å²	110	48.2 Å²	48.2	42%	0.415	25%	0.248	S	C	.	.	H	α-helix	trans	-57.9	-45.1	-171.5	178	174.6	-64.1	-159.6	1	112.4	A32 V34 I119 T123 Y124 Q125	A32-R121 WeakPolarHBondContact O-CA 3.43Å; A32-R121 WeakPolarHBondContact O-CB 3.28Å; A32-R121 PolarHBondContact O-N 3.15Å; V34-R121 HydrophobicContact CG2-CB 4.18Å; V34-R121 HydrophobicContact CG2-CG 4.36Å; I119-R121 PolarHBondContact O-N 3.47Å; R121-T123 PolarHBondContact O-N 3.44Å; R121-Y124 PolarHBondContact O-N 2.99Å; R121-Y124 VanDerWaalsContact O-N 3.14Å; R121-Q125 HydrophobicContact CG-CG 3.95Å; R121-Q125 WeakPolarHBondContact O-CB 3.44Å; R121-Q125 VanDerWaalsContact O-CG 3.29Å; R121-Q125 WeakPolarHBondContact O-CG 3.41Å; R121-Q125 PolarHBondContact O-N 2.86Å
122	S	88	Confident	86.6	Confident	47 Å²	47	47 Å²	47	33%	0.329	25%	0.253	S	S	.	.	H	α-helix	trans	-54	-38.4	174.6	54.1	0	0	0	0	113.2	D31 R120 R126	D31-S122 VanDerWaalsContact CG-OG 3.32Å; D31-S122 VanDerWaalsContact OD1-CB 3.3Å; D31-S122 WeakPolarHBondContact OD1-CB 3.41Å; D31-S122 PolarHBondContact OD1-N 3.4Å; D31-S122 PolarHBondContact OD1-OG 3.46Å; D31-S122 VanDerWaalsContact OD2-CB 3.25Å; D31-S122 WeakPolarHBondContact OD2-CB 3.26Å; D31-S122 PolarHBondContact OD2-OG 3.26Å; R120-S122 PolarHBondContact O-N 2.84Å; S122-R126 WeakPolarHBondContact O-CB 3.46Å; S122-R126 PolarHBondContact O-N 3.16Å
123	T	90.3	Very high	86.4	Confident	12 Å²	12	52.7 Å²	52.7	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-73.8	-44	176.8	-57.2	0	0	0	0	111	N77 V100 F105 I119 R120 R121 R126 Y127	N77-T123 HydrophobicContact CB-CG2 4.19Å; N77-T123 WeakPolarHBondContact CB-OG1 3.43Å; V100-T123 HydrophobicContact CG2-CG2 3.9Å; F105-T123 HydrophobicContact CD2-CG2 3.85Å; F105-T123 HydrophobicContact CE2-CG2 3.89Å; I119-T123 HydrophobicContact CG2-CG2 4.19Å; R120-T123 WeakPolarHBondContact O-CA 3.28Å; R120-T123 WeakPolarHBondContact O-CB 3.27Å; R120-T123 PolarHBondContact O-N 3.36Å; R121-T123 PolarHBondContact O-N 3.44Å; T123-R126 PolarHBondContact O-N 2.77Å; T123-Y127 HydrophobicContact CG2-CD2 3.82Å; T123-Y127 HydrophobicContact CG2-CE2 4.28Å; T123-Y127 WeakPolarHBondContact O-CD2 3.42Å; T123-Y127 PolarHBondContact O-N 3.27Å
124	Y	89.3	Confident	86.2	Confident	57 Å²	57	56 Å²	56	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-50.7	177.2	-177.7	-91.1	0	0	0	112	V34 R120 R121 R126 Y127 L128 E129	V34-Y124 HydrophobicContact CB-CD2 4.34Å; V34-Y124 HydrophobicContact CB-CG 4.17Å; V34-Y124 HydrophobicContact CG1-CD1 4.36Å; V34-Y124 HydrophobicContact CG1-CD2 4.12Å; V34-Y124 HydrophobicContact CG1-CE1 4.39Å; V34-Y124 HydrophobicContact CG1-CE2 4.16Å; V34-Y124 HydrophobicContact CG1-CG 4.23Å; V34-Y124 HydrophobicContact CG2-CD1 4.09Å; V34-Y124 HydrophobicContact CG2-CG 4.06Å; R120-Y124 PolarHBondContact O-N 3.1Å; R121-Y124 PolarHBondContact O-N 2.99Å; R121-Y124 VanDerWaalsContact O-N 3.14Å; Y124-R126 VanDerWaalsContact C-N 3.27Å; Y124-R126 PolarHBondContact O-N 2.86Å; Y124-Y127 PolarHBondContact O-N 2.83Å; Y124-L128 HydrophobicContact CD2-CB 3.73Å; Y124-L128 HydrophobicContact CD2-CD1 3.89Å; Y124-L128 HydrophobicContact CD2-CG 4.47Å; Y124-L128 HydrophobicContact CE2-CB 3.93Å; Y124-L128 HydrophobicContact CG-CB 4.27Å; Y124-L128 CarbonylContact O-C 3.58Å; Y124-L128 WeakPolarHBondContact O-CA 3.33Å; Y124-L128 WeakPolarHBondContact O-CB 3.19Å; Y124-L128 PolarHBondContact O-N 2.77Å; Y124-E129 HydrophobicContact CD1-CB 3.98Å; Y124-E129 HydrophobicContact CE1-CB 3.77Å; Y124-E129 HydrophobicContact CE1-CG 4.08Å; Y124-E129 PolarHBondContact O-N 2.85Å
125	Q	86.4	Confident	86.2	Confident	99 Å²	99	55.2 Å²	55.2	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-38.4	-179.2	-68.8	-175.8	-43.8	0	0	112.3	R121 E129	R121-Q125 HydrophobicContact CG-CG 3.95Å; R121-Q125 WeakPolarHBondContact O-CB 3.44Å; R121-Q125 VanDerWaalsContact O-CG 3.29Å; R121-Q125 WeakPolarHBondContact O-CG 3.41Å; R121-Q125 PolarHBondContact O-N 2.86Å; Q125-E129 WeakPolarHBondContact CG-OE2 3.3Å
126	R	84.4	Confident	86.2	Confident	93 Å²	93	57.5 Å²	57.5	35%	0.351	29%	0.293	S	S	.	.	H	α-helix	trans	-72.8	-48.3	-179.5	-171.7	168.5	-174.1	-160.9	-8.3	112.6	N103 S122 T123 Y124 D219 R430	N103-R126 PolarHBondContact ND2-NH2 2.94Å; N103-R126 VanDerWaalsContact ND2-NH2 3.17Å; N103-R126 VanDerWaalsContact OD1-CZ 3.23Å; N103-R126 PolarHBondContact OD1-NH1 2.97Å; N103-R126 PolarHBondContact OD1-NH2 3.3Å; S122-R126 WeakPolarHBondContact O-CB 3.46Å; S122-R126 PolarHBondContact O-N 3.16Å; T123-R126 PolarHBondContact O-N 2.77Å; Y124-R126 VanDerWaalsContact C-N 3.27Å; Y124-R126 PolarHBondContact O-N 2.86Å; R126-D219 IonicContact CZ-OD1 2.89Å; R126-D219 IonicContact NE-OD1 3.77Å; R126-D219 IonicContact NH2-OD1 2.62Å; R126-D219 PolarHBondContact NH2-OD1 2.9Å; R126-D219 IonicContact NH2-OD2 3.22Å; R126-R430 PolarHBondContact O-NH2 3Å
127	Y	84.8	Confident	86.3	Confident	34 Å²	34	54.6 Å²	54.6	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-107.2	-25.3	-166.8	-59	-69.4	0	0	0	114.9	V100 N103 F105 T123 Y124 R430	V100-Y127 HydrophobicContact CG1-CE2 4.4Å; V100-Y127 HydrophobicContact CG2-CD2 4.39Å; V100-Y127 HydrophobicContact CG2-CE2 3.77Å; N103-Y127 PolarHBondContact O-OH 3.27Å; F105-Y127 HydrophobicContact CB-CD1 3.78Å; F105-Y127 HydrophobicContact CB-CD2 3.93Å; F105-Y127 HydrophobicContact CB-CE1 4.35Å; F105-Y127 HydrophobicContact CB-CE2 4.48Å; F105-Y127 HydrophobicContact CB-CG 3.54Å; F105-Y127 HydrophobicContact CD2-CD2 4.11Å; F105-Y127 HydrophobicContact CD2-CG 4.35Å; F105-Y127 HydrophobicContact CG-CD2 4.38Å; F105-Y127 HydrophobicContact CG-CG 4.18Å; T123-Y127 HydrophobicContact CG2-CD2 3.82Å; T123-Y127 HydrophobicContact CG2-CE2 4.28Å; T123-Y127 WeakPolarHBondContact O-CD2 3.42Å; T123-Y127 PolarHBondContact O-N 3.27Å; Y124-Y127 PolarHBondContact O-N 2.83Å; Y127-R430 VanDerWaalsContact C-NH2 3.32Å; Y127-R430 PolarHBondContact O-NH1 2.82Å; Y127-R430 PolarHBondContact O-NH2 2.77Å
128	L	85.4	Confident	86.3	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.016	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-25.4	-165.9	-59.5	175.6	0	0	0	114.2	F105 I119 Y124 F423 S424	F105-L128 HydrophobicContact CD1-CD2 4.18Å; F105-L128 HydrophobicContact CE1-CD1 4.4Å; F105-L128 HydrophobicContact CE1-CD2 3.82Å; F105-L128 HydrophobicContact CE1-CG 4.44Å; F105-L128 HydrophobicContact CE2-CD1 4.41Å; F105-L128 HydrophobicContact CZ-CD1 3.99Å; F105-L128 HydrophobicContact CZ-CD2 4.24Å; F105-L128 HydrophobicContact CZ-CG 4.42Å; I119-L128 HydrophobicContact CD1-CD1 3.42Å; I119-L128 VanDerWaalsContact CD1-CD1 3.42Å; I119-L128 HydrophobicContact CG2-CD1 4.27Å; Y124-L128 HydrophobicContact CD2-CB 3.73Å; Y124-L128 HydrophobicContact CD2-CD1 3.89Å; Y124-L128 HydrophobicContact CD2-CG 4.47Å; Y124-L128 HydrophobicContact CE2-CB 3.93Å; Y124-L128 HydrophobicContact CG-CB 4.27Å; Y124-L128 CarbonylContact O-C 3.58Å; Y124-L128 WeakPolarHBondContact O-CA 3.33Å; Y124-L128 WeakPolarHBondContact O-CB 3.19Å; Y124-L128 PolarHBondContact O-N 2.77Å; L128-F423 HydrophobicContact CD1-CD1 4.47Å; L128-F423 HydrophobicContact CD1-CE1 3.91Å; L128-S424 PolarHBondContact O-OG 3.29Å
129	E	86.3	Confident	86.3	Confident	83 Å²	83	56.3 Å²	56.3	39%	0.388	29%	0.292	S	S	.	.	S	Bend	trans	-68.3	141.6	-179.1	-171.1	169.4	-130	0	0	111.1	Y124 Q125 R430	Y124-E129 HydrophobicContact CD1-CB 3.98Å; Y124-E129 HydrophobicContact CE1-CB 3.77Å; Y124-E129 HydrophobicContact CE1-CG 4.08Å; Y124-E129 PolarHBondContact O-N 2.85Å; Q125-E129 WeakPolarHBondContact CG-OE2 3.3Å; E129-R430 PolarHBondContact O-NH2 2.8Å
130	A	82.9	Confident	86.4	Confident	41 Å²	41	58.4 Å²	58.4	34%	0.339	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-69.2	130	176	0	0	0	0	0	109.1	G132 G426 D429	A130-G132 PolarHBondContact O-N 3.41Å; A130-G426 VanDerWaalsContact CB-CA 3.41Å; A130-D429 HydrophobicContact CB-CB 4.21Å; A130-D429 WeakPolarHBondContact CB-OD2 3.44Å
131	P	80.9	Confident	86.5	Confident	28 Å²	28	55.1 Å²	55.1	18%	0.182	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.3	134.5	171.4	25.9	-31.9	0	0	0	110.4	A135 L163 R430	P131-A135 HydrophobicContact CB-CB 3.59Å; P131-L163 HydrophobicContact CB-CD1 3.44Å; P131-L163 VanDerWaalsContact CB-CD1 3.44Å; P131-L163 HydrophobicContact CG-CD1 3.93Å; P131-L163 HydrophobicContact CG-CD2 4.1Å; P131-R430 HydrophobicContact CG-CG 3.81Å
132	G	79.9	Confident	86.7	Confident	47 Å²	47	50.1 Å²	50.1	49%	0.485	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-65.2	164.8	171.3	0	0	0	0	0	112.6	A130 L134 A135 H164	A130-G132 PolarHBondContact O-N 3.41Å; G132-L134 PolarHBondContact O-N 2.82Å; G132-A135 WeakPolarHBondContact O-CB 3.33Å; G132-A135 PolarHBondContact O-N 2.89Å; G132-H164 PolarHBondContact O-CE1 2.86Å; G132-H164 PolarHBondContact O-NE2 3.37Å
133	E	74.6	Confident	86.8	Confident	177 Å²	177	51.1 Å²	51.1	83%	0.827	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.2	-179	-65.6	-176.9	173.3	0	0	114.2	H164	E133-H164 PolarHBondContact O-CD2 3.43Å; E133-H164 PolarHBondContact O-CE1 2.02Å; E133-H164 PolarHBondContact O-NE2 3.27Å
134	L	78.6	Confident	87	Confident	144 Å²	144	52.3 Å²	52.3	75%	0.754	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	17	177.8	-68	173	0	0	0	113.6	G132 K215	G132-L134 PolarHBondContact O-N 2.82Å; L134-K215 VanDerWaalsContact CA-NZ 3.28Å; L134-K215 PolarHBondContact O-NZ 2.86Å
135	A	84.3	Confident	87.2	Confident	18 Å²	18	50.7 Å²	50.7	15%	0.149	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-58.5	144.6	179.5	0	0	0	0	0	112.9	P131 G132 L163	P131-A135 HydrophobicContact CB-CB 3.59Å; G132-A135 WeakPolarHBondContact O-CB 3.33Å; G132-A135 PolarHBondContact O-N 2.89Å; A135-L163 HydrophobicContact CB-CD1 3.69Å
136	P	89.8	Confident	87.5	Confident	63 Å²	63	47 Å²	47	41%	0.409	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-71.3	165.4	169.6	32.2	-35.1	0	0	0	111.3	L163 K215 S216	P136-L163 WeakPolarHBondContact O-CD1 3.27Å; P136-K215 HydrophobicContact CB-CB 4.25Å; P136-S216 WeakPolarHBondContact CB-O 3.34Å
137	P	91.9	Very high	88	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.019	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-56.9	150.7	172.7	27.2	-36.9	0	0	0	111.2	V209 D211 G217	P137-V209 HydrophobicContact CB-CG2 3.94Å; P137-V209 HydrophobicContact CG-CG2 3.86Å; P137-D211 HydrophobicContact CB-CB 4.4Å; P137-D211 HydrophobicContact CG-CB 4.07Å; P137-G217 VanDerWaalsContact O-CA 3.3Å; P137-G217 WeakPolarHBondContact O-CA 3.43Å
138	I	90.5	Very high	88.4	Confident	43 Å²	43	42 Å²	42	22%	0.221	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-92.1	107.3	178.3	-57.1	173.7	0	0	0	107.4	S160 I161 L163 R430	I138-S160 CarbonylContact O-C 3.47Å; I138-S160 WeakPolarHBondContact O-CA 3.47Å; I138-I161 HydrophobicContact CB-CB 4.32Å; I138-I161 PolarHBondContact N-O 3.16Å; I138-I161 PolarHBondContact O-N 3.09Å; I138-L163 HydrophobicContact CD1-CD1 4.38Å; I138-L163 HydrophobicContact CD1-CD2 4.23Å; I138-L163 HydrophobicContact CG1-CD1 4.16Å; I138-L163 HydrophobicContact CG1-CG 4.44Å; I138-R430 HydrophobicContact CD1-CG 3.92Å
139	A	92.9	Very high	88.6	Confident	10 Å²	10	44.5 Å²	44.5	8%	0.083	26%	0.263	C	S	.	.			trans	-71.1	142.3	172.2	0	0	0	0	0	110.1	V209 H218 D219	A139-V209 HydrophobicContact CB-CB 4.49Å; A139-V209 HydrophobicContact CB-CG1 4.06Å; A139-V209 HydrophobicContact CB-CG2 3.76Å; A139-H218 VanDerWaalsContact CB-C 3.44Å; A139-D219 HydrophobicContact CB-CB 3.66Å; A139-D219 WeakPolarHBondContact O-CB 3.12Å
140	N	93	Very high	88.6	Confident	44 Å²	44	43.7 Å²	43.7	24%	0.235	28%	0.277	C	S	.	.			trans	-130.5	109.1	170	-177.7	-12.8	0	0	0	107.7	G142 G157 E159 S160 L207	N140-G142 PolarHBondContact O-N 2.93Å; N140-G142 WeakPolarHBondContact OD1-CA 3.19Å; N140-G142 PolarHBondContact OD1-N 2.81Å; N140-G157 WeakPolarHBondContact O-CA 3.08Å; N140-E159 HydrophobicContact CB-CB 4.38Å; N140-E159 WeakPolarHBondContact ND2-CB 2.96Å; N140-S160 PolarHBondContact N-OG 3.48Å; N140-S160 PolarHBondContact O-OG 2.86Å; N140-L207 VanDerWaalsContact O-CD2 3.26Å; N140-L207 WeakPolarHBondContact O-CD2 3.46Å
141	A	94.3	Very high	88.8	Confident	1 Å²	1	44 Å²	44	1%	0.008	27%	0.272	C	S	.	.			trans	-79.4	2.8	-179.2	0	0	0	0	0	112.9	W173 L207 D219 V221	A141-W173 HydrophobicContact CB-CH2 3.88Å; A141-W173 HydrophobicContact CB-CZ3 3.99Å; A141-W173 WeakPolarHBondContact O-CH2 3.09Å; A141-L207 HydrophobicContact CB-CB 3.94Å; A141-D219 HydrophobicContact CB-CB 4Å; A141-D219 WeakPolarHBondContact CB-OD2 3.27Å; A141-D219 PolarHBondContact N-OD2 3.49Å; A141-V221 HydrophobicContact CB-CB 3.87Å; A141-V221 HydrophobicContact CB-CG1 4.13Å
142	G	91.8	Very high	89.3	Confident	6 Å²	6	47.6 Å²	47.6	6%	0.062	29%	0.289	C	S	.	.			trans	76.7	-173.7	-173.7	0	0	0	0	0	112.4	N103 N140	N103-G142 PolarHBondContact ND2-O 2.89Å; N140-G142 PolarHBondContact O-N 2.93Å; N140-G142 WeakPolarHBondContact OD1-CA 3.19Å; N140-G142 PolarHBondContact OD1-N 2.81Å
143	P	91.3	Very high	89.8	Confident	68 Å²	68	46.3 Å²	46.3	44%	0.442	27%	0.272	S	S	.	.			trans	-79.4	152.3	-174.4	31	-34.8	0	0	0	113.6	K102 V145 V221	K102-P143 HydrophobicContact CB-CB 3.9Å; K102-P143 WeakPolarHBondContact O-CA 3.34Å; K102-P143 WeakPolarHBondContact O-CB 3.4Å; P143-V145 WeakPolarHBondContact O-CG2 3.23Å; P143-V221 VanDerWaalsContact O-CG2 3.28Å; P143-V221 WeakPolarHBondContact O-CG2 3.25Å
144	D	93.1	Very high	90.8	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.193	25%	0.252	C	S	.	.			trans	-59	139.1	171.5	-72.2	-11.8	0	0	0	111.4	K102 N222	K102-D144 HydrophobicContact CB-CB 4.06Å; K102-D144 WeakPolarHBondContact CD-O 3.35Å; K102-D144 HydrophobicContact CG-CB 4.27Å; K102-D144 PolarHBondContact O-N 2.89Å; D144-N222 WeakPolarHBondContact CA-O 3.47Å; D144-N222 HydrophobicContact CB-CB 4.41Å; D144-N222 PolarHBondContact OD1-N 2.78Å; D144-N222 PolarHBondContact OD2-ND2 2.87Å
145	V	93.4	Very high	91.5	Very high	24 Å²	24	34.5 Å²	34.5	15%	0.145	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.5	-173.4	-170.9	0	0	0	0	111.3	P143 L147 V153 L155 N222 I223 T224	P143-V145 WeakPolarHBondContact O-CG2 3.23Å; V145-L147 HydrophobicContact CB-CD2 4.34Å; V145-L147 HydrophobicContact CG1-CD2 3.64Å; V145-V153 HydrophobicContact CG1-CG2 3.97Å; V145-V153 HydrophobicContact CG2-CG2 4.22Å; V145-L155 HydrophobicContact CG2-CD2 3.97Å; V145-N222 PolarHBondContact N-O 3.19Å; V145-I223 WeakPolarHBondContact O-CA 3.45Å; V145-T224 PolarHBondContact O-N 3.04Å
146	V	94.1	Very high	92	Very high	20 Å²	20	35.1 Å²	35.1	12%	0.121	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128	168.9	-175.3	0	0	0	0	108.6	T224 L226 Y234 S283 A284	V146-T224 WeakPolarHBondContact CA-O 3.29Å; V146-L226 HydrophobicContact CG1-CD1 3.87Å; V146-L226 HydrophobicContact CG1-CD2 3.58Å; V146-L226 HydrophobicContact CG1-CG 3.74Å; V146-Y234 HydrophobicContact CG1-CD1 4.24Å; V146-Y234 HydrophobicContact CG1-CE1 4.12Å; V146-Y234 HydrophobicContact CG2-CE1 4.34Å; V146-S283 PolarHBondContact O-OG 3.32Å; V146-A284 HydrophobicContact CB-CB 4.39Å; V146-A284 HydrophobicContact CG1-CB 4.05Å
147	L	94.7	Very high	92.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.6	-178.3	60.8	128.3	0	0	0	114.1	V145 E151 V153 V198 I223 T224 V225 L226 S283	V145-L147 HydrophobicContact CB-CD2 4.34Å; V145-L147 HydrophobicContact CG1-CD2 3.64Å; L147-E151 HydrophobicContact CD1-CB 4.05Å; L147-V153 HydrophobicContact CD2-CB 4.36Å; L147-V153 HydrophobicContact CD2-CG1 3.89Å; L147-V198 HydrophobicContact CD1-CB 4.23Å; L147-V198 HydrophobicContact CD1-CG1 4.4Å; L147-V198 HydrophobicContact CD1-CG2 3.52Å; L147-I223 HydrophobicContact CD2-CG2 3.52Å; L147-T224 PolarHBondContact N-O 2.93Å; L147-V225 HydrophobicContact CD1-CG2 4.29Å; L147-V225 HydrophobicContact CG-CG2 4.33Å; L147-V225 WeakPolarHBondContact O-CA 3.26Å; L147-L226 PolarHBondContact O-N 2.85Å; L147-S283 VanDerWaalsContact CA-O 3.27Å; L147-S283 WeakPolarHBondContact CA-O 3.37Å; L147-S283 WeakPolarHBondContact CB-OG 3.28Å
148	Q	92.1	Very high	92.1	Very high	24 Å²	24	33.6 Å²	33.6	11%	0.112	21%	0.209	C	C	.	.			trans	-74.9	150.6	170.7	-74.3	-63.2	-33.2	0	0	112.4	G150 E151 S231 S283 A284 V288	Q148-G150 PolarHBondContact O-N 3.44Å; Q148-E151 HydrophobicContact CB-CG 4.19Å; Q148-E151 WeakPolarHBondContact O-CB 3.3Å; Q148-E151 PolarHBondContact O-N 3.46Å; Q148-S231 PolarHBondContact NE2-OG 3.49Å; Q148-S231 PolarHBondContact OE1-OG 3.5Å; Q148-S283 PolarHBondContact N-O 3Å; Q148-S283 VanDerWaalsContact N-O 3.1Å; Q148-A284 VanDerWaalsContact CG-O 3.25Å; Q148-A284 WeakPolarHBondContact CG-O 3.37Å; Q148-A284 PolarHBondContact NE2-O 3.49Å; Q148-V288 HydrophobicContact CG-CG2 4.15Å; Q148-V288 VanDerWaalsContact NE2-CG2 3.32Å
149	P	90.9	Very high	92.1	Very high	54 Å²	54	33.7 Å²	33.7	35%	0.351	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	138.8	174.8	-23	33.4	0	0	0	112.5	E151 P200 V225 L226	P149-E151 VanDerWaalsContact C-N 3.28Å; P149-E151 PolarHBondContact O-N 3.09Å; P149-P200 HydrophobicContact CB-CG 4.19Å; P149-P200 HydrophobicContact CG-CG 3.79Å; P149-V225 HydrophobicContact CB-CG1 4.18Å; P149-V225 HydrophobicContact CG-CG1 4.02Å; P149-L226 WeakPolarHBondContact CG-O 3.39Å
150	G	85.1	Confident	92.1	Very high	66 Å²	66	33.7 Å²	33.7	68%	0.68	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-6.4	178.7	0	0	0	0	0	116.1	Q148 V198	Q148-G150 PolarHBondContact O-N 3.44Å; G150-V198 PolarHBondContact N-O 3.38Å
151	E	88.2	Confident	91.9	Very high	49 Å²	49	33.2 Å²	33.2	23%	0.229	21%	0.205	C	C	.	.			trans	-69.9	158.8	169.3	-71.4	-70.7	158.4	0	0	111.1	L147 Q148 P149 V198 R286	L147-E151 HydrophobicContact CD1-CB 4.05Å; Q148-E151 HydrophobicContact CB-CG 4.19Å; Q148-E151 WeakPolarHBondContact O-CB 3.3Å; Q148-E151 PolarHBondContact O-N 3.46Å; P149-E151 VanDerWaalsContact C-N 3.28Å; P149-E151 PolarHBondContact O-N 3.09Å; E151-V198 WeakPolarHBondContact O-CG2 3.18Å; E151-R286 WeakPolarHBondContact OE1-CD 3.43Å; E151-R286 IonicContact OE2-NH1 2.78Å
152	N	90.7	Very high	91.6	Very high	102 Å²	102	35.6 Å²	35.6	55%	0.545	22%	0.221	S	C	.	.			trans	-105.6	144.8	170.2	58.4	12.1	0	0	0	109.9	L195	N152-L195 WeakPolarHBondContact CA-O 3.26Å
153	V	91.6	Very high	91.4	Very high	20 Å²	20	35.6 Å²	35.6	12%	0.121	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142	176.1	57.1	0	0	0	0	109.4	V145 L147 L155 R194 L195	V145-V153 HydrophobicContact CG1-CG2 3.97Å; V145-V153 HydrophobicContact CG2-CG2 4.22Å; L147-V153 HydrophobicContact CD2-CB 4.36Å; L147-V153 HydrophobicContact CD2-CG1 3.89Å; V153-L155 HydrophobicContact CG2-CD2 4.48Å; V153-R194 WeakPolarHBondContact O-CA 3.41Å; V153-L195 HydrophobicContact CG1-CB 3.82Å; V153-L195 HydrophobicContact CG1-CD1 3.63Å; V153-L195 HydrophobicContact CG1-CG 4.34Å; V153-L195 PolarHBondContact N-O 3.33Å; V153-L195 PolarHBondContact O-N 2.95Å
154	T	94	Very high	91	Very high	68 Å²	68	35.8 Å²	35.8	42%	0.417	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.5	172.2	-54.2	0	0	0	0	108.5	T187 Q192 V193	T154-T187 HydrophobicContact CG2-CG2 4.26Å; T154-Q192 HydrophobicContact CG2-CB 4.07Å; T154-Q192 HydrophobicContact CG2-CG 4.19Å; T154-V193 CarbonylContact C-O 3.57Å; T154-V193 WeakPolarHBondContact CA-O 3.48Å
155	L	94.7	Very high	90.4	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	149	170.6	-55.9	176.2	0	0	0	109.3	V145 V153 W173 Q192 V193 L195 L205 V221 I223	V145-L155 HydrophobicContact CG2-CD2 3.97Å; V153-L155 HydrophobicContact CG2-CD2 4.48Å; L155-W173 HydrophobicContact CB-CH2 3.84Å; L155-W173 HydrophobicContact CB-CZ2 4.08Å; L155-W173 HydrophobicContact CB-CZ3 4.24Å; L155-W173 HydrophobicContact CD1-CE3 4.12Å; L155-W173 HydrophobicContact CD1-CH2 4.17Å; L155-W173 HydrophobicContact CD1-CZ3 3.73Å; L155-Q192 VanDerWaalsContact O-CA 3.3Å; L155-Q192 WeakPolarHBondContact O-CA 3.4Å; L155-V193 HydrophobicContact CB-CG1 3.92Å; L155-V193 HydrophobicContact CD1-CG1 4.03Å; L155-V193 HydrophobicContact CG-CG1 4.31Å; L155-V193 PolarHBondContact N-O 2.96Å; L155-V193 PolarHBondContact O-N 3.42Å; L155-L195 HydrophobicContact CD1-CD1 3.63Å; L155-L195 HydrophobicContact CD2-CD1 4.24Å; L155-L195 HydrophobicContact CG-CD1 3.68Å; L155-L205 HydrophobicContact CD1-CB 4.46Å; L155-L205 HydrophobicContact CD1-CD2 3.8Å; L155-V221 HydrophobicContact CD1-CG1 3.75Å; L155-V221 HydrophobicContact CD2-CG1 4.44Å; L155-V221 HydrophobicContact CD2-CG2 4.48Å; L155-I223 HydrophobicContact CD1-CD1 4.09Å; L155-I223 HydrophobicContact CD2-CD1 4.38Å
156	N	93.3	Very high	90	Very high	31 Å²	31	39.1 Å²	39.1	17%	0.166	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121.8	-175.3	-168.5	-1.6	0	0	0	110.9	S158 D191 Q192 P372	N156-S158 PolarHBondContact ND2-OG 3.14Å; N156-S158 WeakPolarHBondContact OD1-CB 2.99Å; N156-S158 PolarHBondContact OD1-N 2.87Å; N156-S158 PolarHBondContact OD1-OG 3.25Å; N156-D191 PolarHBondContact OD1-OD2 3.11Å; N156-Q192 HydrophobicContact CB-CG 4.13Å; N156-Q192 PolarHBondContact ND2-NE2 2.9Å; N156-P372 PolarHBondContact ND2-O 3.47Å
157	G	93.5	Very high	89.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.			trans	-95.9	6.1	176.2	0	0	0	0	0	114.7	N140 E159 S160 D191	N140-G157 WeakPolarHBondContact O-CA 3.08Å; G157-E159 PolarHBondContact O-N 3.35Å; G157-E159 VanDerWaalsContact O-N 3.13Å; G157-S160 VanDerWaalsContact O-CB 3.29Å; G157-S160 WeakPolarHBondContact O-CB 3.31Å; G157-S160 PolarHBondContact O-N 2.6Å; G157-S160 PolarHBondContact O-OG 3.5Å; G157-D191 PolarHBondContact N-O 3.06Å
158	S	91.6	Very high	89.8	Confident	33 Å²	33	47.5 Å²	47.5	23%	0.231	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.2	-171.7	62.7	0	0	0	0	115.1	N156 S160 D191	N156-S158 PolarHBondContact ND2-OG 3.14Å; N156-S158 WeakPolarHBondContact OD1-CB 2.99Å; N156-S158 PolarHBondContact OD1-N 2.87Å; N156-S158 PolarHBondContact OD1-OG 3.25Å; S158-S160 PolarHBondContact O-N 2.85Å; S158-D191 VanDerWaalsContact CB-OD2 3.27Å; S158-D191 WeakPolarHBondContact CB-OD2 3.49Å
159	E	90.7	Very high	89.9	Confident	46 Å²	46	50 Å²	50	22%	0.215	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	12.3	178.4	-68.1	-175.3	99.4	0	0	112.9	N140 G157 R369 G371	N140-E159 HydrophobicContact CB-CB 4.38Å; N140-E159 WeakPolarHBondContact ND2-CB 2.96Å; G157-E159 PolarHBondContact O-N 3.35Å; G157-E159 VanDerWaalsContact O-N 3.13Å; E159-R369 IonicContact OE1-NE 2.67Å; E159-R369 IonicContact OE1-NH2 3.22Å; E159-G371 WeakPolarHBondContact OE1-CA 3.38Å
160	S	92.1	Very high	90.2	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.063	29%	0.289	C	S	.	.			trans	-69.1	137.7	171.3	-61.1	0	0	0	0	110.6	I138 N140 G157 S158 I168	I138-S160 CarbonylContact O-C 3.47Å; I138-S160 WeakPolarHBondContact O-CA 3.47Å; N140-S160 PolarHBondContact N-OG 3.48Å; N140-S160 PolarHBondContact O-OG 2.86Å; G157-S160 VanDerWaalsContact O-CB 3.29Å; G157-S160 WeakPolarHBondContact O-CB 3.31Å; G157-S160 PolarHBondContact O-N 2.6Å; G157-S160 PolarHBondContact O-OG 3.5Å; S158-S160 PolarHBondContact O-N 2.85Å; S160-I168 VanDerWaalsContact CB-CD1 3.49Å; S160-I168 WeakPolarHBondContact O-CD1 3.5Å
161	I	88.1	Confident	90.8	Very high	35 Å²	35	50.8 Å²	50.8	18%	0.179	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-106.6	118.1	-170.9	-58.1	163.6	0	0	0	109.7	I138 L163 F431	I138-I161 HydrophobicContact CB-CB 4.32Å; I138-I161 PolarHBondContact N-O 3.16Å; I138-I161 PolarHBondContact O-N 3.09Å; I161-L163 HydrophobicContact CG2-CD2 4.19Å; I161-F431 HydrophobicContact CD1-CE1 3.96Å; I161-F431 HydrophobicContact CD1-CE2 4.46Å; I161-F431 HydrophobicContact CD1-CZ 3.56Å; I161-F431 HydrophobicContact CG1-CE1 4.24Å; I161-F431 HydrophobicContact CG1-CZ 4.33Å; I161-F431 HydrophobicContact CG2-CE1 4.21Å
162	P	88.9	Confident	91.2	Very high	51 Å²	51	54.2 Å²	54.2	33%	0.331	28%	0.28	S	S	.	.			trans	-71.6	146.2	166.4	30.6	-31.8	0	0	0	110.2	A166 I168	P162-A166 VanDerWaalsContact CB-O 3.25Å; P162-A166 WeakPolarHBondContact CB-O 3.16Å; P162-I168 HydrophobicContact CB-CG1 4.06Å; P162-I168 HydrophobicContact CG-CG1 4.48Å
163	L	86.9	Confident	91.5	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.026	26%	0.26	C	S	.	.			trans	-112.9	159	177.1	-62.2	-177.1	0	0	0	111.4	P131 A135 P136 I138 I161 H165 A166 R430	P131-L163 HydrophobicContact CB-CD1 3.44Å; P131-L163 VanDerWaalsContact CB-CD1 3.44Å; P131-L163 HydrophobicContact CG-CD1 3.93Å; P131-L163 HydrophobicContact CG-CD2 4.1Å; A135-L163 HydrophobicContact CB-CD1 3.69Å; P136-L163 WeakPolarHBondContact O-CD1 3.27Å; I138-L163 HydrophobicContact CD1-CD1 4.38Å; I138-L163 HydrophobicContact CD1-CD2 4.23Å; I138-L163 HydrophobicContact CG1-CD1 4.16Å; I138-L163 HydrophobicContact CG1-CG 4.44Å; I161-L163 HydrophobicContact CG2-CD2 4.19Å; L163-H165 PolarHBondContact O-N 3.36Å; L163-A166 WeakPolarHBondContact O-CB 3.48Å; L163-A166 PolarHBondContact O-N 3.18Å; L163-R430 HydrophobicContact CD2-CB 4.16Å; L163-R430 HydrophobicContact CD2-CG 4.45Å
164	H	83	Confident	91.7	Very high	72 Å²	72	52.4 Å²	52.4	33%	0.333	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	45.1	170.7	-54	-61.4	0	0	0	113.3	G132 E133 A166 K213	G132-H164 PolarHBondContact O-CE1 2.86Å; G132-H164 PolarHBondContact O-NE2 3.37Å; E133-H164 PolarHBondContact O-CD2 3.43Å; E133-H164 PolarHBondContact O-CE1 2.02Å; E133-H164 PolarHBondContact O-NE2 3.27Å; H164-A166 PolarHBondContact O-N 3.24Å; H164-A166 VanDerWaalsContact O-N 3.08Å; H164-K213 PolarHBondContact O-NZ 3.38Å
165	H	80.2	Confident	91.8	Very high	123 Å²	123	51.7 Å²	51.7	57%	0.569	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	23.6	-176.3	-46.9	-82.5	0	0	0	114.7	L163 D434	L163-H165 PolarHBondContact O-N 3.36Å; H165-D434 IonicContact CE1-OD1 2.97Å; H165-D434 PolarHBondContact CE1-OD1 3.16Å; H165-D434 IonicContact ND1-OD1 3.37Å; H165-D434 PolarHBondContact ND1-OD1 3.08Å; H165-D434 VanDerWaalsContact ND1-OD1 3.09Å
166	A	86.6	Confident	91.9	Very high	7 Å²	7	57.3 Å²	57.3	6%	0.058	29%	0.289	C	S	.	.			trans	-76.8	169.6	168.9	0	0	0	0	0	110.7	P162 L163 H164 D211 K213	P162-A166 VanDerWaalsContact CB-O 3.25Å; P162-A166 WeakPolarHBondContact CB-O 3.16Å; L163-A166 WeakPolarHBondContact O-CB 3.48Å; L163-A166 PolarHBondContact O-N 3.18Å; H164-A166 PolarHBondContact O-N 3.24Å; H164-A166 VanDerWaalsContact O-N 3.08Å; A166-D211 HydrophobicContact CB-CB 3.86Å; A166-K213 HydrophobicContact CB-CD 4.2Å; A166-K213 HydrophobicContact CB-CG 4.3Å
167	K	90.5	Very high	92	Very high	162 Å²	162	59.2 Å²	59.2	70%	0.704	31%	0.305	S	S	*	.			trans	-122.8	143.5	168.6	-65	-177	-178.4	-179.4	0	108.5	S169 D211 S212	K167-S169 PolarHBondContact O-N 3.45Å; K167-D211 CarbonylContact O-C 3.56Å; K167-D211 VanDerWaalsContact O-CA 3.28Å; K167-D211 WeakPolarHBondContact O-CA 3.44Å; K167-S212 PolarHBondContact N-OG 3.08Å; K167-S212 VanDerWaalsContact N-OG 3.16Å; K167-S212 PolarHBondContact O-N 3.47Å
168	I	93.3	Very high	91.9	Very high	34 Å²	34	60.9 Å²	60.9	17%	0.174	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.7	173.7	-56.5	179.3	0	0	0	108	S160 P162 Y171 V209	S160-I168 VanDerWaalsContact CB-CD1 3.49Å; S160-I168 WeakPolarHBondContact O-CD1 3.5Å; P162-I168 HydrophobicContact CB-CG1 4.06Å; P162-I168 HydrophobicContact CG-CG1 4.48Å; I168-Y171 HydrophobicContact CB-CE2 4.26Å; I168-Y171 HydrophobicContact CD1-CE1 4.47Å; I168-Y171 WeakPolarHBondContact CD1-OH 3.42Å; I168-Y171 HydrophobicContact CG2-CD2 4.08Å; I168-Y171 HydrophobicContact CG2-CE1 4.06Å; I168-Y171 HydrophobicContact CG2-CE2 3.48Å; I168-Y171 VanDerWaalsContact CG2-CE2 3.48Å; I168-Y171 VanDerWaalsContact CG2-CZ 3.47Å; I168-V209 HydrophobicContact CG2-CB 4.13Å
169	S	94.8	Very high	91.9	Very high	78 Å²	78	62.6 Å²	62.6	55%	0.545	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-27.9	-175	63.1	0	0	0	0	113	K167 T210 D211	K167-S169 PolarHBondContact O-N 3.45Å; S169-T210 PolarHBondContact N-O 3.36Å; S169-T210 PolarHBondContact OG-O 2.77Å; S169-T210 VanDerWaalsContact OG-O 3.05Å; S169-D211 PolarHBondContact OG-O 2.82Å; S169-D211 VanDerWaalsContact OG-O 3.09Å
170	D	96.4	Very high	91.8	Very high	83 Å²	83	69.1 Å²	69.1	44%	0.444	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.9	-178.8	-172.2	61.9	0	0	0	112	V209 T210	D170-V209 WeakPolarHBondContact O-CA 3.41Å; D170-T210 PolarHBondContact N-O 3.35Å; D170-T210 PolarHBondContact O-N 3.07Å
171	Y	97.1	Very high	91.6	Very high	52 Å²	52	70.8 Å²	70.8	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.7	173.2	-67.1	-97.7	0	0	0	109.3	I168 D190 D191 L207 V209	I168-Y171 HydrophobicContact CB-CE2 4.26Å; I168-Y171 HydrophobicContact CD1-CE1 4.47Å; I168-Y171 WeakPolarHBondContact CD1-OH 3.42Å; I168-Y171 HydrophobicContact CG2-CD2 4.08Å; I168-Y171 HydrophobicContact CG2-CE1 4.06Å; I168-Y171 HydrophobicContact CG2-CE2 3.48Å; I168-Y171 VanDerWaalsContact CG2-CE2 3.48Å; I168-Y171 VanDerWaalsContact CG2-CZ 3.47Å; Y171-D190 WeakPolarHBondContact CB-O 3.34Å; Y171-D191 HydrophobicContact CD1-CB 3.76Å; Y171-D191 HydrophobicContact CD2-CB 3.91Å; Y171-D191 HydrophobicContact CE1-CB 3.7Å; Y171-D191 HydrophobicContact CE2-CB 3.84Å; Y171-D191 HydrophobicContact CG-CB 3.88Å; Y171-L207 HydrophobicContact CD1-CD1 4.09Å; Y171-V209 HydrophobicContact CD1-CG1 3.63Å; Y171-V209 HydrophobicContact CE1-CG1 3.79Å
172	K	96.9	Very high	91.8	Very high	122 Å²	122	69.8 Å²	69.8	53%	0.53	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115.4	-178.2	-174.7	177.4	180	178.1	0	111.6	T174 L207 T208	K172-T174 HydrophobicContact CG-CG2 4.27Å; K172-L207 CarbonylContact O-C 3.59Å; K172-T208 PolarHBondContact N-O 2.04Å; K172-T208 PolarHBondContact O-N 2.89Å
173	W	97.1	Very high	92	Very high	31 Å²	31	73.1 Å²	73.1	12%	0.117	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.5	174.5	-68.1	95	0	0	0	111.2	A141 L155 L184 D191 V193 L205 K206 L207 V221	A141-W173 HydrophobicContact CB-CH2 3.88Å; A141-W173 HydrophobicContact CB-CZ3 3.99Å; A141-W173 WeakPolarHBondContact O-CH2 3.09Å; L155-W173 HydrophobicContact CB-CH2 3.84Å; L155-W173 HydrophobicContact CB-CZ2 4.08Å; L155-W173 HydrophobicContact CB-CZ3 4.24Å; L155-W173 HydrophobicContact CD1-CE3 4.12Å; L155-W173 HydrophobicContact CD1-CH2 4.17Å; L155-W173 HydrophobicContact CD1-CZ3 3.73Å; W173-L184 HydrophobicContact CB-CD2 4.12Å; W173-D191 PolarHBondContact NE1-O 2.97Å; W173-V193 HydrophobicContact CB-CB 4.31Å; W173-V193 HydrophobicContact CB-CG1 4.04Å; W173-V193 HydrophobicContact CD2-CB 4.44Å; W173-V193 HydrophobicContact CD2-CG1 3.56Å; W173-V193 HydrophobicContact CE3-CG1 4.09Å; W173-V193 HydrophobicContact CG-CB 3.95Å; W173-V193 HydrophobicContact CG-CG1 3.53Å; W173-L205 HydrophobicContact CE3-CB 4.37Å; W173-K206 WeakPolarHBondContact CA-O 3.21Å; W173-L207 HydrophobicContact CD2-CB 4.21Å; W173-L207 HydrophobicContact CD2-CD1 3.99Å; W173-L207 HydrophobicContact CE3-CB 3.93Å; W173-L207 HydrophobicContact CG-CD1 4.34Å; W173-L207 HydrophobicContact CH2-CB 3.86Å; W173-L207 HydrophobicContact CH2-CD2 4.18Å; W173-L207 HydrophobicContact CH2-CG 4.4Å; W173-L207 HydrophobicContact CZ2-CB 4.13Å; W173-L207 HydrophobicContact CZ2-CD1 3.95Å; W173-L207 HydrophobicContact CZ2-CD2 3.97Å; W173-L207 HydrophobicContact CZ2-CG 4.22Å; W173-L207 HydrophobicContact CZ3-CB 3.75Å; W173-V221 HydrophobicContact CZ3-CG1 3.88Å
174	T	95.9	Very high	92.4	Very high	52 Å²	52	75.9 Å²	75.9	32%	0.319	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.2	177.3	56.5	0	0	0	0	111.2	K172 Q176 L205 K206	K172-T174 HydrophobicContact CG-CG2 4.27Å; T174-Q176 PolarHBondContact O-N 2.94Å; T174-L205 WeakPolarHBondContact O-CA 3.3Å; T174-K206 PolarHBondContact N-O 3.25Å; T174-K206 PolarHBondContact O-N 2.84Å; T174-K206 PolarHBondContact OG1-O 3.42Å
175	L	96.4	Very high	92.9	Very high	53 Å²	53	75.6 Å²	75.6	28%	0.277	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.9	169.9	-179	64.2	0	0	0	109.6	S177 D179 L182 Y203 L205	L175-S177 WeakPolarHBondContact CD1-O 3.36Å; L175-D179 WeakPolarHBondContact CD2-O 3.5Å; L175-L182 HydrophobicContact CD1-CD2 3.81Å; L175-L182 HydrophobicContact CD2-CB 4.44Å; L175-L182 HydrophobicContact CD2-CD2 4.3Å; L175-Y203 HydrophobicContact CD1-CD1 4.19Å; L175-L205 HydrophobicContact CD1-CD1 3.85Å; L175-L205 HydrophobicContact CD1-CG 4.39Å
176	Q	96	Very high	93.5	Very high	124 Å²	124	79 Å²	79	58%	0.579	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	-38.2	178.2	-175.6	176.6	-12.1	0	0	111.9	T174 V204	T174-Q176 PolarHBondContact O-N 2.94Å; Q176-V204 HydrophobicContact CB-CB 4.48Å; Q176-V204 HydrophobicContact CB-CG1 4.36Å; Q176-V204 WeakPolarHBondContact CB-O 3.32Å; Q176-V204 PolarHBondContact N-O 2.76Å
177	S	95.9	Very high	93.9	Very high	71 Å²	71	80.4 Å²	80.4	50%	0.497	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	147.6	178	-174.5	0	0	0	0	110.3	L175 Y203 V204	L175-S177 WeakPolarHBondContact CD1-O 3.36Å; S177-Y203 CarbonylContact O-C 3.56Å; S177-Y203 VanDerWaalsContact O-CA 3.3Å; S177-Y203 WeakPolarHBondContact O-CA 3.5Å; S177-V204 PolarHBondContact N-O 3.4Å; S177-V204 PolarHBondContact O-N 3.24Å
178	G	92.2	Very high	94	Very high	35 Å²	35	80.5 Å²	80.5	36%	0.361	42%	0.418	S	S	.	.	S	Bend	trans	127.9	-174.9	-178.2	0	0	0	0	0	112.8	Q180	G178-Q180 PolarHBondContact O-N 3.49Å
179	D	90.6	Very high	94	Very high	70 Å²	70	82.5 Å²	82.5	37%	0.374	43%	0.426	S	S	.	.			trans	-67.5	130.2	176.6	-175.6	-3.6	0	0	0	110.9	L175 S181 L182 Y203	L175-D179 WeakPolarHBondContact CD2-O 3.5Å; D179-S181 PolarHBondContact O-N 3.31Å; D179-S181 WeakPolarHBondContact OD1-CB 3.03Å; D179-S181 PolarHBondContact OD1-N 3.32Å; D179-S181 PolarHBondContact OD1-OG 2.95Å; D179-S181 PolarHBondContact OD2-OG 2.88Å; D179-L182 WeakPolarHBondContact O-CB 3.5Å; D179-L182 PolarHBondContact O-N 3.14Å; D179-Y203 HydrophobicContact CB-CE1 3.8Å; D179-Y203 VanDerWaalsContact N-CE1 3.35Å
180	Q	89.6	Confident	93.9	Very high	182 Å²	182	85.1 Å²	85.1	85%	0.85	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.3	177.9	-63	-171.4	-4.9	0	0	113.3	G178 L182	G178-Q180 PolarHBondContact O-N 3.49Å; Q180-L182 PolarHBondContact O-N 2.99Å
181	S	87.8	Confident	93.8	Very high	45 Å²	45	81.9 Å²	81.9	32%	0.315	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.4	174.5	81.4	0	0	0	0	113.6	D179 K183 N197	D179-S181 PolarHBondContact O-N 3.31Å; D179-S181 WeakPolarHBondContact OD1-CB 3.03Å; D179-S181 PolarHBondContact OD1-N 3.32Å; D179-S181 PolarHBondContact OD1-OG 2.95Å; D179-S181 PolarHBondContact OD2-OG 2.88Å; S181-K183 PolarHBondContact O-N 3.42Å; S181-N197 PolarHBondContact O-ND2 3.34Å
182	L	92.1	Very high	93.7	Very high	14 Å²	14	81.2 Å²	81.2	7%	0.073	42%	0.416	C	S	.	.			trans	-59.5	128.6	176.1	-177.9	71.2	0	0	0	111.2	L175 D179 Q180 L184 L195 V198 Y203 L205	L175-L182 HydrophobicContact CD1-CD2 3.81Å; L175-L182 HydrophobicContact CD2-CB 4.44Å; L175-L182 HydrophobicContact CD2-CD2 4.3Å; D179-L182 WeakPolarHBondContact O-CB 3.5Å; D179-L182 PolarHBondContact O-N 3.14Å; Q180-L182 PolarHBondContact O-N 2.99Å; L182-L184 HydrophobicContact CD2-CD1 3.91Å; L182-L184 HydrophobicContact CG-CD1 4.04Å; L182-L195 HydrophobicContact CD1-CB 4.44Å; L182-L195 HydrophobicContact CD1-CD2 3.84Å; L182-L195 HydrophobicContact CD2-CD2 3.73Å; L182-L195 HydrophobicContact CG-CD2 3.91Å; L182-V198 HydrophobicContact CD1-CG1 3.67Å; L182-Y203 HydrophobicContact CB-CD1 4.42Å; L182-Y203 HydrophobicContact CB-CE1 4.12Å; L182-Y203 HydrophobicContact CD1-CE1 4.38Å; L182-Y203 HydrophobicContact CD2-CD1 3.84Å; L182-Y203 HydrophobicContact CD2-CE1 4.32Å; L182-L205 HydrophobicContact CD2-CD1 4.09Å
183	K	92.7	Very high	93.7	Very high	121 Å²	121	75.8 Å²	75.8	53%	0.526	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122	177.8	-68.9	179.4	-178.2	177.6	0	110.4	S181 L195 S196 N197	S181-K183 PolarHBondContact O-N 3.42Å; K183-L195 WeakPolarHBondContact O-CA 2.99Å; K183-S196 WeakPolarHBondContact CB-OG 3.3Å; K183-S196 PolarHBondContact N-O 2.97Å; K183-S196 VanDerWaalsContact N-O 3.14Å; K183-S196 PolarHBondContact O-N 2.92Å; K183-S196 VanDerWaalsContact O-N 3.1Å; K183-N197 HydrophobicContact CD-CB 4.47Å
184	L	94.5	Very high	93.6	Very high	63 Å²	63	78.2 Å²	78.2	33%	0.33	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	102.3	172	-74.2	80.3	0	0	0	108.4	W173 L182 V193 L195 L205	W173-L184 HydrophobicContact CB-CD2 4.12Å; L182-L184 HydrophobicContact CD2-CD1 3.91Å; L182-L184 HydrophobicContact CG-CD1 4.04Å; L184-V193 HydrophobicContact CB-CG2 3.73Å; L184-V193 HydrophobicContact CD2-CG2 4.18Å; L184-V193 HydrophobicContact CG-CG2 4.06Å; L184-L195 HydrophobicContact CD1-CD2 4.34Å; L184-L195 HydrophobicContact CG-CD2 4.04Å; L184-L205 HydrophobicContact CD2-CD2 3.9Å; L184-L205 HydrophobicContact CG-CD2 4.38Å
185	E	94.6	Very high	93.5	Very high	66 Å²	66	75.7 Å²	75.7	31%	0.308	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130	179.1	-66.3	173.3	-147.5	0	0	110	R194 S196	E185-R194 HydrophobicContact CB-CB 4.45Å; E185-R194 PolarHBondContact N-O 3.38Å; E185-R194 PolarHBondContact O-N 3.48Å; E185-R194 IonicContact OE1-NH1 3.02Å; E185-R194 IonicContact OE2-CZ 3.3Å; E185-R194 IonicContact OE2-NH1 3.99Å; E185-R194 PolarHBondContact OE2-NH1 3.4Å; E185-R194 IonicContact OE2-NH2 2.64Å; E185-R194 PolarHBondContact OE2-NH2 2.9Å; E185-S196 WeakPolarHBondContact OE1-CB 3.43Å; E185-S196 PolarHBondContact OE1-OG 3.3Å
186	K	92.9	Very high	93.3	Very high	194 Å²	194	74.1 Å²	74.1	84%	0.843	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	146.6	171.5	-69.8	-167.4	174.6	-164.4	0	110.2
187	T	94.4	Very high	93	Very high	37 Å²	37	71.5 Å²	71.5	23%	0.227	37%	0.37	C	S	.	.			trans	-105.3	-172.1	173.5	77.9	0	0	0	0	110.5	T154 H189 Q192 R194	T154-T187 HydrophobicContact CG2-CG2 4.26Å; T187-H189 PolarHBondContact O-N 3.43Å; T187-H189 PolarHBondContact OG1-N 3.27Å; T187-H189 PolarHBondContact OG1-O 2.8Å; T187-Q192 HydrophobicContact CG2-CB 3.95Å; T187-Q192 VanDerWaalsContact OG1-CB 3.23Å; T187-Q192 WeakPolarHBondContact OG1-CB 3.25Å; T187-Q192 PolarHBondContact OG1-O 3.45Å; T187-R194 HydrophobicContact CG2-CB 4.02Å
188	N	93.4	Very high	92.7	Very high	163 Å²	163	68.2 Å²	68.2	87%	0.872	35%	0.346	S	S	*	.	S	Bend	trans	-73.5	-2.8	171.8	-64.1	-20.4	0	0	0	113
189	H	93.4	Very high	92.6	Very high	76 Å²	76	70.5 Å²	70.5	35%	0.352	35%	0.348	S	S	.	.	S	Bend	trans	-125.3	128.4	-179.1	-60.7	-62	0	0	0	109.6	T187 D191 Q192 R374	T187-H189 PolarHBondContact O-N 3.43Å; T187-H189 PolarHBondContact OG1-N 3.27Å; T187-H189 PolarHBondContact OG1-O 2.8Å; H189-D191 WeakPolarHBondContact CB-OD1 3.5Å; H189-D191 PolarHBondContact O-N 2.9Å; H189-Q192 HydrophobicContact CB-CB 4.24Å; H189-Q192 HydrophobicContact CB-CG 4.36Å; H189-Q192 PolarHBondContact O-N 3.01Å; H189-Q192 VanDerWaalsContact O-N 3.11Å; H189-R374 PolarHBondContact CD2-NE 2.96Å; H189-R374 PolarHBondContact ND1-NH1 3.28Å; H189-R374 PolarHBondContact NE2-NE 2.92Å
190	D	92.9	Very high	92.8	Very high	134 Å²	134	70.2 Å²	70.2	72%	0.717	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.8	-174.5	-65.1	-38.5	0	0	0	112.6	Y171 Q192	Y171-D190 WeakPolarHBondContact CB-O 3.34Å; D190-Q192 VanDerWaalsContact C-N 3.27Å; D190-Q192 PolarHBondContact O-N 3.42Å
191	D	93.4	Very high	92.9	Very high	14 Å²	14	62.9 Å²	62.9	8%	0.075	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.4	178.5	59	-59.3	0	0	0	113.9	N156 G157 S158 Y171 W173 H189 R374	N156-D191 PolarHBondContact OD1-OD2 3.11Å; G157-D191 PolarHBondContact N-O 3.06Å; S158-D191 VanDerWaalsContact CB-OD2 3.27Å; S158-D191 WeakPolarHBondContact CB-OD2 3.49Å; Y171-D191 HydrophobicContact CD1-CB 3.76Å; Y171-D191 HydrophobicContact CD2-CB 3.91Å; Y171-D191 HydrophobicContact CE1-CB 3.7Å; Y171-D191 HydrophobicContact CE2-CB 3.84Å; Y171-D191 HydrophobicContact CG-CB 3.88Å; W173-D191 PolarHBondContact NE1-O 2.97Å; H189-D191 WeakPolarHBondContact CB-OD1 3.5Å; H189-D191 PolarHBondContact O-N 2.9Å; D191-R374 IonicContact OD1-CZ 3.96Å; D191-R374 IonicContact OD1-NH1 2.7Å; D191-R374 PolarHBondContact OD1-NH1 2.93Å; D191-R374 IonicContact OD1-NH2 3.49Å; D191-R374 PolarHBondContact OD1-NH2 3.3Å; D191-R374 IonicContact OD2-CZ 3.87Å; D191-R374 IonicContact OD2-NH1 3.05Å; D191-R374 PolarHBondContact OD2-NH1 3.01Å; D191-R374 IonicContact OD2-NH2 3.41Å; D191-R374 PolarHBondContact OD2-NH2 2.93Å
192	Q	95.3	Very high	93.2	Very high	39 Å²	39	64.2 Å²	64.2	18%	0.182	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.3	-179	-77.3	178.8	-1.1	0	0	113	T154 L155 N156 T187 H189 D190	T154-Q192 HydrophobicContact CG2-CB 4.07Å; T154-Q192 HydrophobicContact CG2-CG 4.19Å; L155-Q192 VanDerWaalsContact O-CA 3.3Å; L155-Q192 WeakPolarHBondContact O-CA 3.4Å; N156-Q192 HydrophobicContact CB-CG 4.13Å; N156-Q192 PolarHBondContact ND2-NE2 2.9Å; T187-Q192 HydrophobicContact CG2-CB 3.95Å; T187-Q192 VanDerWaalsContact OG1-CB 3.23Å; T187-Q192 WeakPolarHBondContact OG1-CB 3.25Å; T187-Q192 PolarHBondContact OG1-O 3.45Å; H189-Q192 HydrophobicContact CB-CB 4.24Å; H189-Q192 HydrophobicContact CB-CG 4.36Å; H189-Q192 PolarHBondContact O-N 3.01Å; H189-Q192 VanDerWaalsContact O-N 3.11Å; D190-Q192 VanDerWaalsContact C-N 3.27Å; D190-Q192 PolarHBondContact O-N 3.42Å
193	V	96	Very high	93.3	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.6	170.6	64.4	0	0	0	0	109.8	T154 L155 W173 L184	T154-V193 CarbonylContact C-O 3.57Å; T154-V193 WeakPolarHBondContact CA-O 3.48Å; L155-V193 HydrophobicContact CB-CG1 3.92Å; L155-V193 HydrophobicContact CD1-CG1 4.03Å; L155-V193 HydrophobicContact CG-CG1 4.31Å; L155-V193 PolarHBondContact N-O 2.96Å; L155-V193 PolarHBondContact O-N 3.42Å; W173-V193 HydrophobicContact CB-CB 4.31Å; W173-V193 HydrophobicContact CB-CG1 4.04Å; W173-V193 HydrophobicContact CD2-CB 4.44Å; W173-V193 HydrophobicContact CD2-CG1 3.56Å; W173-V193 HydrophobicContact CE3-CG1 4.09Å; W173-V193 HydrophobicContact CG-CB 3.95Å; W173-V193 HydrophobicContact CG-CG1 3.53Å; L184-V193 HydrophobicContact CB-CG2 3.73Å; L184-V193 HydrophobicContact CD2-CG2 4.18Å; L184-V193 HydrophobicContact CG-CG2 4.06Å
194	R	95.9	Very high	93.5	Very high	82 Å²	82	59.4 Å²	59.4	31%	0.309	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.7	173.4	-177.2	162.8	56.6	73.1	3.3	110.1	V153 E185 T187	V153-R194 WeakPolarHBondContact O-CA 3.41Å; E185-R194 HydrophobicContact CB-CB 4.45Å; E185-R194 PolarHBondContact N-O 3.38Å; E185-R194 PolarHBondContact O-N 3.48Å; E185-R194 IonicContact OE1-NH1 3.02Å; E185-R194 IonicContact OE2-CZ 3.3Å; E185-R194 IonicContact OE2-NH1 3.99Å; E185-R194 PolarHBondContact OE2-NH1 3.4Å; E185-R194 IonicContact OE2-NH2 2.64Å; E185-R194 PolarHBondContact OE2-NH2 2.9Å; T187-R194 HydrophobicContact CG2-CB 4.02Å
195	L	94.3	Very high	93.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.2	179	-65.5	155.3	0	0	0	109.4	N152 V153 L155 L182 K183 L184 V198 L205 I223	N152-L195 WeakPolarHBondContact CA-O 3.26Å; V153-L195 HydrophobicContact CG1-CB 3.82Å; V153-L195 HydrophobicContact CG1-CD1 3.63Å; V153-L195 HydrophobicContact CG1-CG 4.34Å; V153-L195 PolarHBondContact N-O 3.33Å; V153-L195 PolarHBondContact O-N 2.95Å; L155-L195 HydrophobicContact CD1-CD1 3.63Å; L155-L195 HydrophobicContact CD2-CD1 4.24Å; L155-L195 HydrophobicContact CG-CD1 3.68Å; L182-L195 HydrophobicContact CD1-CB 4.44Å; L182-L195 HydrophobicContact CD1-CD2 3.84Å; L182-L195 HydrophobicContact CD2-CD2 3.73Å; L182-L195 HydrophobicContact CG-CD2 3.91Å; K183-L195 WeakPolarHBondContact O-CA 2.99Å; L184-L195 HydrophobicContact CD1-CD2 4.34Å; L184-L195 HydrophobicContact CG-CD2 4.04Å; L195-V198 HydrophobicContact CB-CG1 4.46Å; L195-L205 HydrophobicContact CD1-CD2 4.35Å; L195-L205 HydrophobicContact CD2-CD2 3.72Å; L195-I223 HydrophobicContact CD1-CD1 3.25Å
196	S	91.7	Very high	93.7	Very high	19 Å²	19	56 Å²	56	13%	0.133	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	165.4	175.1	72.7	0	0	0	0	110.5	K183 E185 V198	K183-S196 WeakPolarHBondContact CB-OG 3.3Å; K183-S196 PolarHBondContact N-O 2.97Å; K183-S196 VanDerWaalsContact N-O 3.14Å; K183-S196 PolarHBondContact O-N 2.92Å; K183-S196 VanDerWaalsContact O-N 3.1Å; E185-S196 WeakPolarHBondContact OE1-CB 3.43Å; E185-S196 PolarHBondContact OE1-OG 3.3Å; S196-V198 VanDerWaalsContact C-N 3.33Å; S196-V198 PolarHBondContact O-N 2.91Å
197	N	89.1	Confident	93.9	Very high	70 Å²	70	46.8 Å²	46.8	37%	0.374	26%	0.255	S	S	.	.	S	Bend	trans	59.6	39.5	-177.2	-167.7	46.7	0	0	0	113.7	S181 K183 Q199	S181-N197 PolarHBondContact O-ND2 3.34Å; K183-N197 HydrophobicContact CD-CB 4.47Å; N197-Q199 PolarHBondContact O-N 3.41Å; N197-Q199 PolarHBondContact OD1-NE2 2.86Å
198	V	89.4	Confident	94.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-73.6	117.6	178.5	-66.8	0	0	0	0	111.2	L147 G150 E151 L182 L195 S196 V225	L147-V198 HydrophobicContact CD1-CB 4.23Å; L147-V198 HydrophobicContact CD1-CG1 4.4Å; L147-V198 HydrophobicContact CD1-CG2 3.52Å; G150-V198 PolarHBondContact N-O 3.38Å; E151-V198 WeakPolarHBondContact O-CG2 3.18Å; L182-V198 HydrophobicContact CD1-CG1 3.67Å; L195-V198 HydrophobicContact CB-CG1 4.46Å; S196-V198 VanDerWaalsContact C-N 3.33Å; S196-V198 PolarHBondContact O-N 2.91Å; V198-V225 HydrophobicContact CB-CG1 4.47Å; V198-V225 HydrophobicContact CB-CG2 3.86Å; V198-V225 HydrophobicContact CG1-CG2 4.49Å; V198-V225 HydrophobicContact CG2-CG1 4.45Å; V198-V225 HydrophobicContact CG2-CG2 4.47Å
199	Q	91.2	Very high	94.2	Very high	83 Å²	83	38.8 Å²	38.8	39%	0.388	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-94.5	153.7	174.2	-59.9	-57.2	-41.3	0	0	110.8	N197 G201 Y203 V225	N197-Q199 PolarHBondContact O-N 3.41Å; N197-Q199 PolarHBondContact OD1-NE2 2.86Å; Q199-G201 PolarHBondContact O-N 2.95Å; Q199-Y203 WeakPolarHBondContact CA-OH 3.24Å; Q199-Y203 PolarHBondContact N-OH 3.5Å; Q199-Y203 WeakPolarHBondContact O-CE2 3.27Å; Q199-Y203 PolarHBondContact O-OH 3.32Å; Q199-V225 VanDerWaalsContact O-CB 3.28Å; Q199-V225 WeakPolarHBondContact O-CB 3.42Å; Q199-V225 WeakPolarHBondContact O-CG1 3.27Å
200	P	93.3	Very high	94.4	Very high	64 Å²	64	36.7 Å²	36.7	42%	0.416	20%	0.204	S	C	.	.	S	Bend	trans	-51.5	129.7	175.9	-22.3	30.1	0	0	0	112	P149 T227	P149-P200 HydrophobicContact CB-CG 4.19Å; P149-P200 HydrophobicContact CG-CG 3.79Å; P200-T227 HydrophobicContact CB-CG2 4.2Å
201	G	92.4	Very high	94.5	Very high	29 Å²	29	30.5 Å²	30.5	30%	0.299	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	148.8	-177.3	-174.5	0	0	0	0	0	113.6	Q199 V225	Q199-G201 PolarHBondContact O-N 2.95Å; G201-V225 PolarHBondContact N-O 2.76Å; G201-V225 PolarHBondContact O-N 2.83Å
202	S	94	Very high	94.5	Very high	72 Å²	72	33.5 Å²	33.5	50%	0.503	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134	177	-176.8	0	0	0	0	110.4	I223	S202-I223 WeakPolarHBondContact CA-O 3.37Å
203	Y	95.2	Very high	94.3	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.7	178.1	-52.3	-106.7	0	0	0	109.5	L175 S177 D179 L182 Q199 N222 I223 V225	L175-Y203 HydrophobicContact CD1-CD1 4.19Å; S177-Y203 CarbonylContact O-C 3.56Å; S177-Y203 VanDerWaalsContact O-CA 3.3Å; S177-Y203 WeakPolarHBondContact O-CA 3.5Å; D179-Y203 HydrophobicContact CB-CE1 3.8Å; D179-Y203 VanDerWaalsContact N-CE1 3.35Å; L182-Y203 HydrophobicContact CB-CD1 4.42Å; L182-Y203 HydrophobicContact CB-CE1 4.12Å; L182-Y203 HydrophobicContact CD1-CE1 4.38Å; L182-Y203 HydrophobicContact CD2-CD1 3.84Å; L182-Y203 HydrophobicContact CD2-CE1 4.32Å; Q199-Y203 WeakPolarHBondContact CA-OH 3.24Å; Q199-Y203 PolarHBondContact N-OH 3.5Å; Q199-Y203 WeakPolarHBondContact O-CE2 3.27Å; Q199-Y203 PolarHBondContact O-OH 3.32Å; Y203-N222 WeakPolarHBondContact O-CA 3.2Å; Y203-I223 PolarHBondContact N-O 3.44Å; Y203-I223 PolarHBondContact O-N 3.02Å; Y203-V225 HydrophobicContact CD2-CG2 3.97Å; Y203-V225 HydrophobicContact CE2-CB 4.27Å; Y203-V225 HydrophobicContact CE2-CG2 3.53Å
204	V	96.4	Very high	94.1	Very high	30 Å²	30	40 Å²	40	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.7	173	-176.4	0	0	0	0	107.4	Q176 S177 T220	Q176-V204 HydrophobicContact CB-CB 4.48Å; Q176-V204 HydrophobicContact CB-CG1 4.36Å; Q176-V204 WeakPolarHBondContact CB-O 3.32Å; Q176-V204 PolarHBondContact N-O 2.76Å; S177-V204 PolarHBondContact N-O 3.4Å; S177-V204 PolarHBondContact O-N 3.24Å; V204-T220 HydrophobicContact CG1-CG2 4.34Å
205	L	96.5	Very high	94	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.5	173.3	-83.1	76.5	0	0	0	109.7	L155 W173 T174 L175 L182 L184 L195 T220 V221 I223	L155-L205 HydrophobicContact CD1-CB 4.46Å; L155-L205 HydrophobicContact CD1-CD2 3.8Å; W173-L205 HydrophobicContact CE3-CB 4.37Å; T174-L205 WeakPolarHBondContact O-CA 3.3Å; L175-L205 HydrophobicContact CD1-CD1 3.85Å; L175-L205 HydrophobicContact CD1-CG 4.39Å; L182-L205 HydrophobicContact CD2-CD1 4.09Å; L184-L205 HydrophobicContact CD2-CD2 3.9Å; L184-L205 HydrophobicContact CG-CD2 4.38Å; L195-L205 HydrophobicContact CD1-CD2 4.35Å; L195-L205 HydrophobicContact CD2-CD2 3.72Å; L205-T220 CarbonylContact O-C 3.21Å; L205-T220 WeakPolarHBondContact O-CA 3.39Å; L205-V221 HydrophobicContact CB-CG1 3.91Å; L205-V221 PolarHBondContact N-O 2.84Å; L205-V221 PolarHBondContact O-N 2.83Å; L205-I223 HydrophobicContact CD1-CD1 3.64Å; L205-I223 HydrophobicContact CD1-CG1 4.35Å
206	K	97.2	Very high	94.1	Very high	58 Å²	58	41.8 Å²	41.8	25%	0.252	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.2	175.6	-179.9	176	179.9	165.3	0	109.4	W173 T174 H218 D219 T220	W173-K206 WeakPolarHBondContact CA-O 3.21Å; T174-K206 PolarHBondContact N-O 3.25Å; T174-K206 PolarHBondContact O-N 2.84Å; T174-K206 PolarHBondContact OG1-O 3.42Å; K206-H218 HydrophobicContact CD-CB 4.48Å; K206-H218 WeakPolarHBondContact CE-CD2 3.28Å; K206-H218 HydrophobicContact CG-CB 4.32Å; K206-H218 PolarHBondContact NZ-CD2 2.89Å; K206-D219 CarbonylContact C-O 3.5Å; K206-D219 WeakPolarHBondContact CA-O 3.43Å; K206-T220 HydrophobicContact CB-CG2 4.21Å; K206-T220 HydrophobicContact CG-CG2 4.36Å
207	L	97.5	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.2	164	174.3	60.5	0	0	0	108.8	N140 A141 Y171 K172 W173 V209 H218 D219	N140-L207 VanDerWaalsContact O-CD2 3.26Å; N140-L207 WeakPolarHBondContact O-CD2 3.46Å; A141-L207 HydrophobicContact CB-CB 3.94Å; Y171-L207 HydrophobicContact CD1-CD1 4.09Å; K172-L207 CarbonylContact O-C 3.59Å; W173-L207 HydrophobicContact CD2-CB 4.21Å; W173-L207 HydrophobicContact CD2-CD1 3.99Å; W173-L207 HydrophobicContact CE3-CB 3.93Å; W173-L207 HydrophobicContact CG-CD1 4.34Å; W173-L207 HydrophobicContact CH2-CB 3.86Å; W173-L207 HydrophobicContact CH2-CD2 4.18Å; W173-L207 HydrophobicContact CH2-CG 4.4Å; W173-L207 HydrophobicContact CZ2-CB 4.13Å; W173-L207 HydrophobicContact CZ2-CD1 3.95Å; W173-L207 HydrophobicContact CZ2-CD2 3.97Å; W173-L207 HydrophobicContact CZ2-CG 4.22Å; W173-L207 HydrophobicContact CZ3-CB 3.75Å; L207-V209 HydrophobicContact CD1-CG1 4.04Å; L207-V209 HydrophobicContact CD2-CG1 3.89Å; L207-V209 HydrophobicContact CG-CG1 3.85Å; L207-H218 CarbonylContact O-C 3.39Å; L207-H218 WeakPolarHBondContact O-CA 3.38Å; L207-H218 VanDerWaalsContact O-CB 3.27Å; L207-H218 WeakPolarHBondContact O-CB 3.09Å; L207-D219 PolarHBondContact N-O 3.33Å; L207-D219 PolarHBondContact O-N 2.79Å
208	T	97.3	Very high	94.5	Very high	33 Å²	33	43.5 Å²	43.5	20%	0.202	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.1	168.4	-55.5	0	0	0	0	107.9	K172 G217	K172-T208 PolarHBondContact N-O 2.04Å; K172-T208 PolarHBondContact O-N 2.89Å; T208-G217 CarbonylContact C-O 3.57Å; T208-G217 WeakPolarHBondContact CA-O 3.39Å
209	V	96.9	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.4	178.1	-55.9	0	0	0	0	109.1	P137 A139 I168 D170 Y171 L207 S216 G217	P137-V209 HydrophobicContact CB-CG2 3.94Å; P137-V209 HydrophobicContact CG-CG2 3.86Å; A139-V209 HydrophobicContact CB-CB 4.49Å; A139-V209 HydrophobicContact CB-CG1 4.06Å; A139-V209 HydrophobicContact CB-CG2 3.76Å; I168-V209 HydrophobicContact CG2-CB 4.13Å; D170-V209 WeakPolarHBondContact O-CA 3.41Å; Y171-V209 HydrophobicContact CD1-CG1 3.63Å; Y171-V209 HydrophobicContact CE1-CG1 3.79Å; L207-V209 HydrophobicContact CD1-CG1 4.04Å; L207-V209 HydrophobicContact CD2-CG1 3.89Å; L207-V209 HydrophobicContact CG-CG1 3.85Å; V209-S216 CarbonylContact O-C 3.56Å; V209-S216 WeakPolarHBondContact O-CA 3.36Å; V209-G217 PolarHBondContact N-O 3.21Å; V209-G217 PolarHBondContact O-N 3.48Å
210	T	95.9	Very high	94.9	Very high	31 Å²	31	42 Å²	42	19%	0.19	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.6	177.8	-56.5	0	0	0	0	109.3	S169 D170 K215 S216	S169-T210 PolarHBondContact N-O 3.36Å; S169-T210 PolarHBondContact OG-O 2.77Å; S169-T210 VanDerWaalsContact OG-O 3.05Å; D170-T210 PolarHBondContact N-O 3.35Å; D170-T210 PolarHBondContact O-N 3.07Å; T210-K215 CarbonylContact C-O 3.5Å; T210-K215 WeakPolarHBondContact CA-O 3.3Å; T210-S216 PolarHBondContact OG1-OG 2.97Å
211	D	94.9	Very high	95	Very high	5 Å²	5	39 Å²	39	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	172.9	178.5	74	12.9	0	0	0	112.8	P137 A166 K167 S169 K213 G214 K215	P137-D211 HydrophobicContact CB-CB 4.4Å; P137-D211 HydrophobicContact CG-CB 4.07Å; A166-D211 HydrophobicContact CB-CB 3.86Å; K167-D211 CarbonylContact O-C 3.56Å; K167-D211 VanDerWaalsContact O-CA 3.28Å; K167-D211 WeakPolarHBondContact O-CA 3.44Å; S169-D211 PolarHBondContact OG-O 2.82Å; S169-D211 VanDerWaalsContact OG-O 3.09Å; D211-K213 PolarHBondContact O-N 3.34Å; D211-K213 VanDerWaalsContact OD1-CA 3.25Å; D211-K213 WeakPolarHBondContact OD1-CA 3.44Å; D211-K213 WeakPolarHBondContact OD1-CB 3.47Å; D211-K213 PolarHBondContact OD1-N 2.66Å; D211-G214 PolarHBondContact O-N 2.84Å; D211-G214 VanDerWaalsContact O-N 3.09Å; D211-G214 PolarHBondContact OD1-N 2.92Å; D211-K215 PolarHBondContact N-O 2.8Å; D211-K215 PolarHBondContact OD1-N 3.05Å
212	S	94	Very high	95.1	Very high	77 Å²	77	40.5 Å²	40.5	54%	0.538	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.8	176.6	57.4	0	0	0	0	113.9	K167	K167-S212 PolarHBondContact N-OG 3.08Å; K167-S212 VanDerWaalsContact N-OG 3.16Å; K167-S212 PolarHBondContact O-N 3.47Å
213	K	91.3	Very high	95.2	Very high	125 Å²	125	37.1 Å²	37.1	54%	0.543	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	5.9	175.6	-62.1	179.3	176.9	176.7	0	111.9	H164 A166 D211 K215	H164-K213 PolarHBondContact O-NZ 3.38Å; A166-K213 HydrophobicContact CB-CD 4.2Å; A166-K213 HydrophobicContact CB-CG 4.3Å; D211-K213 PolarHBondContact O-N 3.34Å; D211-K213 VanDerWaalsContact OD1-CA 3.25Å; D211-K213 WeakPolarHBondContact OD1-CA 3.44Å; D211-K213 WeakPolarHBondContact OD1-CB 3.47Å; D211-K213 PolarHBondContact OD1-N 2.66Å; K213-K215 VanDerWaalsContact C-N 3.29Å; K213-K215 PolarHBondContact O-N 3.45Å
214	G	91.9	Very high	95.1	Very high	58 Å²	58	38.7 Å²	38.7	60%	0.598	22%	0.223	S	C	*	.	S	Bend	trans	76.8	7.8	177.8	0	0	0	0	0	114.8	D211	D211-G214 PolarHBondContact O-N 2.84Å; D211-G214 VanDerWaalsContact O-N 3.09Å; D211-G214 PolarHBondContact OD1-N 2.92Å
215	K	94.1	Very high	95.1	Very high	58 Å²	58	37.2 Å²	37.2	25%	0.252	22%	0.215	S	C	.	.			trans	-83.8	146.1	174.8	-61.7	-175.5	-177.5	-179.2	0	109.8	L134 P136 T210 D211 K213	L134-K215 VanDerWaalsContact CA-NZ 3.28Å; L134-K215 PolarHBondContact O-NZ 2.86Å; P136-K215 HydrophobicContact CB-CB 4.25Å; T210-K215 CarbonylContact C-O 3.5Å; T210-K215 WeakPolarHBondContact CA-O 3.3Å; D211-K215 PolarHBondContact N-O 2.8Å; D211-K215 PolarHBondContact OD1-N 3.05Å; K213-K215 VanDerWaalsContact C-N 3.29Å; K213-K215 PolarHBondContact O-N 3.45Å
216	S	95.4	Very high	94.9	Very high	61 Å²	61	37.3 Å²	37.3	43%	0.427	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.5	-178.8	-57.6	0	0	0	0	112.2	P136 V209 T210	P136-S216 WeakPolarHBondContact CB-O 3.34Å; V209-S216 CarbonylContact O-C 3.56Å; V209-S216 WeakPolarHBondContact O-CA 3.36Å; T210-S216 PolarHBondContact OG1-OG 2.97Å
217	G	94	Very high	94.6	Very high	6 Å²	6	36.3 Å²	36.3	6%	0.062	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	163.2	169.4	0	0	0	0	0	110.5	P137 T208 V209	P137-G217 VanDerWaalsContact O-CA 3.3Å; P137-G217 WeakPolarHBondContact O-CA 3.43Å; T208-G217 CarbonylContact C-O 3.57Å; T208-G217 WeakPolarHBondContact CA-O 3.39Å; V209-G217 PolarHBondContact N-O 3.21Å; V209-G217 PolarHBondContact O-N 3.48Å
218	H	95.3	Very high	94.2	Very high	118 Å²	118	39.5 Å²	39.5	55%	0.546	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.1	177.2	64.2	-87	0	0	0	112.5	A139 K206 L207	A139-H218 VanDerWaalsContact CB-C 3.44Å; K206-H218 HydrophobicContact CD-CB 4.48Å; K206-H218 WeakPolarHBondContact CE-CD2 3.28Å; K206-H218 HydrophobicContact CG-CB 4.32Å; K206-H218 PolarHBondContact NZ-CD2 2.89Å; L207-H218 CarbonylContact O-C 3.39Å; L207-H218 WeakPolarHBondContact O-CA 3.38Å; L207-H218 VanDerWaalsContact O-CB 3.27Å; L207-H218 WeakPolarHBondContact O-CB 3.09Å
219	D	94.8	Very high	93.6	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.07	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.9	178.5	-166.8	29.8	0	0	0	110.7	N103 R126 A139 A141 K206 L207	N103-D219 PolarHBondContact ND2-OD2 2.94Å; R126-D219 IonicContact CZ-OD1 2.89Å; R126-D219 IonicContact NE-OD1 3.77Å; R126-D219 IonicContact NH2-OD1 2.62Å; R126-D219 PolarHBondContact NH2-OD1 2.9Å; R126-D219 IonicContact NH2-OD2 3.22Å; A139-D219 HydrophobicContact CB-CB 3.66Å; A139-D219 WeakPolarHBondContact O-CB 3.12Å; A141-D219 HydrophobicContact CB-CB 4Å; A141-D219 WeakPolarHBondContact CB-OD2 3.27Å; A141-D219 PolarHBondContact N-OD2 3.49Å; K206-D219 CarbonylContact C-O 3.5Å; K206-D219 WeakPolarHBondContact CA-O 3.43Å; L207-D219 PolarHBondContact N-O 3.33Å; L207-D219 PolarHBondContact O-N 2.79Å
220	T	94.9	Very high	93.3	Very high	40 Å²	40	45.8 Å²	45.8	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.9	-179.5	57.3	0	0	0	0	111.9	N103 V204 L205 K206	N103-T220 PolarHBondContact ND2-O 3.46Å; N103-T220 VanDerWaalsContact ND2-O 3.11Å; V204-T220 HydrophobicContact CG1-CG2 4.34Å; L205-T220 CarbonylContact O-C 3.21Å; L205-T220 WeakPolarHBondContact O-CA 3.39Å; K206-T220 HydrophobicContact CB-CG2 4.21Å; K206-T220 HydrophobicContact CG-CG2 4.36Å
221	V	95.6	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.1	173.9	61.8	0	0	0	0	110.1	A141 P143 L155 W173 L205	A141-V221 HydrophobicContact CB-CB 3.87Å; A141-V221 HydrophobicContact CB-CG1 4.13Å; P143-V221 VanDerWaalsContact O-CG2 3.28Å; P143-V221 WeakPolarHBondContact O-CG2 3.25Å; L155-V221 HydrophobicContact CD1-CG1 3.75Å; L155-V221 HydrophobicContact CD2-CG1 4.44Å; L155-V221 HydrophobicContact CD2-CG2 4.48Å; W173-V221 HydrophobicContact CZ3-CG1 3.88Å; L205-V221 HydrophobicContact CB-CG1 3.91Å; L205-V221 PolarHBondContact N-O 2.84Å; L205-V221 PolarHBondContact O-N 2.83Å
222	N	94.6	Very high	92.7	Very high	61 Å²	61	44.6 Å²	44.6	33%	0.326	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.6	176.6	-57	-47.9	0	0	0	110.4	D144 V145 Y203	D144-N222 WeakPolarHBondContact CA-O 3.47Å; D144-N222 HydrophobicContact CB-CB 4.41Å; D144-N222 PolarHBondContact OD1-N 2.78Å; D144-N222 PolarHBondContact OD2-ND2 2.87Å; V145-N222 PolarHBondContact N-O 3.19Å; Y203-N222 WeakPolarHBondContact O-CA 3.2Å
223	I	94.9	Very high	92.5	Very high	2 Å²	2	43 Å²	43	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116.4	178.3	-47.8	-177.6	0	0	0	108	V145 L147 L155 L195 S202 Y203 L205 V225	V145-I223 WeakPolarHBondContact O-CA 3.45Å; L147-I223 HydrophobicContact CD2-CG2 3.52Å; L155-I223 HydrophobicContact CD1-CD1 4.09Å; L155-I223 HydrophobicContact CD2-CD1 4.38Å; L195-I223 HydrophobicContact CD1-CD1 3.25Å; S202-I223 WeakPolarHBondContact CA-O 3.37Å; Y203-I223 PolarHBondContact N-O 3.44Å; Y203-I223 PolarHBondContact O-N 3.02Å; L205-I223 HydrophobicContact CD1-CD1 3.64Å; L205-I223 HydrophobicContact CD1-CG1 4.35Å; I223-V225 HydrophobicContact CG2-CG2 4.44Å
224	T	94.7	Very high	92.5	Very high	36 Å²	36	39 Å²	39	22%	0.221	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.3	178	-55.1	0	0	0	0	109.1	V145 V146 L147 L226 L230	V145-T224 PolarHBondContact O-N 3.04Å; V146-T224 WeakPolarHBondContact CA-O 3.29Å; L147-T224 PolarHBondContact N-O 2.93Å; T224-L226 HydrophobicContact CG2-CD2 4.35Å; T224-L230 HydrophobicContact CG2-CD1 4.27Å
225	V	94.8	Very high	92.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.6	172	-172.1	0	0	0	0	107.3	L147 P149 V198 Q199 G201 Y203 I223 T227	L147-V225 HydrophobicContact CD1-CG2 4.29Å; L147-V225 HydrophobicContact CG-CG2 4.33Å; L147-V225 WeakPolarHBondContact O-CA 3.26Å; P149-V225 HydrophobicContact CB-CG1 4.18Å; P149-V225 HydrophobicContact CG-CG1 4.02Å; V198-V225 HydrophobicContact CB-CG1 4.47Å; V198-V225 HydrophobicContact CB-CG2 3.86Å; V198-V225 HydrophobicContact CG1-CG2 4.49Å; V198-V225 HydrophobicContact CG2-CG1 4.45Å; V198-V225 HydrophobicContact CG2-CG2 4.47Å; Q199-V225 VanDerWaalsContact O-CB 3.28Å; Q199-V225 WeakPolarHBondContact O-CB 3.42Å; Q199-V225 WeakPolarHBondContact O-CG1 3.27Å; G201-V225 PolarHBondContact N-O 2.76Å; G201-V225 PolarHBondContact O-N 2.83Å; Y203-V225 HydrophobicContact CD2-CG2 3.97Å; Y203-V225 HydrophobicContact CE2-CB 4.27Å; Y203-V225 HydrophobicContact CE2-CG2 3.53Å; I223-V225 HydrophobicContact CG2-CG2 4.44Å; V225-T227 PolarHBondContact O-N 2.81Å
226	L	93.6	Very high	92.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.196	C	C	.	.			trans	-65.9	131.9	-167.1	-63.8	172.4	0	0	0	111.7	V146 L147 P149 T224 L230 S231 Y234 A284	V146-L226 HydrophobicContact CG1-CD1 3.87Å; V146-L226 HydrophobicContact CG1-CD2 3.58Å; V146-L226 HydrophobicContact CG1-CG 3.74Å; L147-L226 PolarHBondContact O-N 2.85Å; P149-L226 WeakPolarHBondContact CG-O 3.39Å; T224-L226 HydrophobicContact CG2-CD2 4.35Å; L226-L230 HydrophobicContact CB-CB 4.36Å; L226-L230 HydrophobicContact CD2-CB 3.64Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-S231 WeakPolarHBondContact CB-OG 3.35Å; L226-Y234 HydrophobicContact CD1-CG 4.35Å; L226-Y234 HydrophobicContact CD2-CD2 3.52Å; L226-Y234 HydrophobicContact CD2-CE2 3.8Å; L226-Y234 HydrophobicContact CD2-CG 4.02Å; L226-A284 HydrophobicContact CD1-CB 4.37Å; L226-A284 WeakPolarHBondContact CD1-O 3.42Å
227	T	91.1	Very high	92.2	Very high	38 Å²	38	34.8 Å²	34.8	23%	0.233	19%	0.186	C	C	.	.			trans	-76	169.2	163.5	73.9	0	0	0	0	109.4	P200 V225 E229 L230 S231	P200-T227 HydrophobicContact CB-CG2 4.2Å; V225-T227 PolarHBondContact O-N 2.81Å; T227-E229 VanDerWaalsContact C-N 3.26Å; T227-E229 VanDerWaalsContact CB-OE2 3.25Å; T227-E229 WeakPolarHBondContact CB-OE2 3.26Å; T227-E229 PolarHBondContact O-N 2.82Å; T227-E229 PolarHBondContact OG1-N 2.86Å; T227-E229 PolarHBondContact OG1-OE2 3.26Å; T227-L230 PolarHBondContact O-N 3.47Å; T227-L230 PolarHBondContact OG1-N 3.21Å; T227-S231 VanDerWaalsContact O-CB 3.32Å; T227-S231 WeakPolarHBondContact O-CB 3.37Å; T227-S231 PolarHBondContact O-N 3.44Å; T227-S231 PolarHBondContact O-OG 3.23Å
228	P	88.2	Confident	92.1	Very high	66 Å²	66	39.2 Å²	39.2	43%	0.429	21%	0.214	S	C	.	.	H	α-helix	trans	-55	-42.2	171.6	-27	37.1	0	0	0	112.5	L230 S231 S232 E293 I296	P228-L230 PolarHBondContact O-N 3.1Å; P228-S231 PolarHBondContact O-N 3.48Å; P228-S232 PolarHBondContact O-N 3.49Å; P228-E293 WeakPolarHBondContact CA-OE1 3.01Å; P228-E293 HydrophobicContact CB-CG 4.23Å; P228-E293 VanDerWaalsContact O-CD 3.25Å; P228-I296 HydrophobicContact CB-CD1 4.15Å
229	E	85.3	Confident	92	Very high	105 Å²	105	36 Å²	36	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-44.1	178.5	-56.8	68.8	-150.7	0	0	111.3	T227 S232 L233 I296	T227-E229 VanDerWaalsContact C-N 3.26Å; T227-E229 VanDerWaalsContact CB-OE2 3.25Å; T227-E229 WeakPolarHBondContact CB-OE2 3.26Å; T227-E229 PolarHBondContact O-N 2.82Å; T227-E229 PolarHBondContact OG1-N 2.86Å; T227-E229 PolarHBondContact OG1-OE2 3.26Å; E229-S232 WeakPolarHBondContact O-CB 3.48Å; E229-S232 PolarHBondContact O-N 2.59Å; E229-S232 PolarHBondContact O-OG 3.28Å; E229-L233 PolarHBondContact O-N 2.95Å; E229-I296 HydrophobicContact CG-CD1 4.04Å
230	L	89	Confident	91.9	Very high	61 Å²	61	36.2 Å²	36.2	32%	0.319	20%	0.204	S	C	.	.	H	α-helix	trans	-70.6	-37.4	177	-66	177.2	0	0	0	111.6	T224 L226 T227 P228 S232 L233 Y234	T224-L230 HydrophobicContact CG2-CD1 4.27Å; L226-L230 HydrophobicContact CB-CB 4.36Å; L226-L230 HydrophobicContact CD2-CB 3.64Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; T227-L230 PolarHBondContact O-N 3.47Å; T227-L230 PolarHBondContact OG1-N 3.21Å; P228-L230 PolarHBondContact O-N 3.1Å; L230-S232 PolarHBondContact O-N 3.2Å; L230-L233 HydrophobicContact CD2-CD1 4.41Å; L230-L233 PolarHBondContact O-N 3.42Å; L230-Y234 HydrophobicContact CB-CD2 4.41Å; L230-Y234 VanDerWaalsContact O-CD2 3.3Å; L230-Y234 WeakPolarHBondContact O-CD2 3.2Å; L230-Y234 PolarHBondContact O-N 3Å
231	S	91.3	Very high	91.9	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-37.5	175.6	-67.3	0	0	0	0	111.5	Q148 L226 T227 P228 L233 Y234 C235 E293	Q148-S231 PolarHBondContact NE2-OG 3.49Å; Q148-S231 PolarHBondContact OE1-OG 3.5Å; L226-S231 WeakPolarHBondContact CB-OG 3.35Å; T227-S231 VanDerWaalsContact O-CB 3.32Å; T227-S231 WeakPolarHBondContact O-CB 3.37Å; T227-S231 PolarHBondContact O-N 3.44Å; T227-S231 PolarHBondContact O-OG 3.23Å; P228-S231 PolarHBondContact O-N 3.48Å; S231-L233 VanDerWaalsContact C-N 3.32Å; S231-L233 PolarHBondContact O-N 2.85Å; S231-Y234 PolarHBondContact O-N 2.73Å; S231-C235 WeakPolarHBondContact O-CA 3.48Å; S231-C235 VanDerWaalsContact O-CB 3.25Å; S231-C235 WeakPolarHBondContact O-CB 3.37Å; S231-C235 PolarHBondContact O-N 3.35Å; S231-E293 VanDerWaalsContact CB-OE1 3.23Å; S231-E293 WeakPolarHBondContact CB-OE1 3.33Å
232	S	88.3	Confident	91.8	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.042	22%	0.224	C	C	.	.	I	π-helix	trans	-58.7	-42.7	173	81.4	0	0	0	0	112.6	P228 E229 L230 L236 V237 E293 L298	P228-S232 PolarHBondContact O-N 3.49Å; E229-S232 WeakPolarHBondContact O-CB 3.48Å; E229-S232 PolarHBondContact O-N 2.59Å; E229-S232 PolarHBondContact O-OG 3.28Å; L230-S232 PolarHBondContact O-N 3.2Å; S232-L236 WeakPolarHBondContact O-CA 3.34Å; S232-L236 WeakPolarHBondContact O-CB 3.25Å; S232-L236 PolarHBondContact O-N 3.41Å; S232-L236 VanDerWaalsContact O-N 3.07Å; S232-V237 PolarHBondContact O-N 3.09Å; S232-E293 VanDerWaalsContact CB-OE2 3.27Å; S232-E293 WeakPolarHBondContact CB-OE2 3.37Å; S232-L298 WeakPolarHBondContact OG-CD1 3.42Å
233	L	88.7	Confident	91.7	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.225	22%	0.217	C	C	.	.	I	π-helix	trans	-74.1	-39.5	-180	-61.4	176.5	0	0	0	113	E229 L230 S231 V237 K272 L298	E229-L233 PolarHBondContact O-N 2.95Å; L230-L233 HydrophobicContact CD2-CD1 4.41Å; L230-L233 PolarHBondContact O-N 3.42Å; S231-L233 VanDerWaalsContact C-N 3.32Å; S231-L233 PolarHBondContact O-N 2.85Å; L233-V237 WeakPolarHBondContact O-CG2 3.3Å; L233-K272 HydrophobicContact CB-CB 4.34Å; L233-K272 HydrophobicContact CB-CG 4.32Å; L233-K272 WeakPolarHBondContact O-CB 3.43Å; L233-L298 HydrophobicContact CD2-CD1 4.1Å
234	Y	92.8	Very high	91.7	Very high	42 Å²	42	37.3 Å²	37.3	17%	0.165	22%	0.218	C	C	.	.	I	π-helix	trans	-81.8	-26.8	-177.1	-82.4	-92.9	0	0	0	113.3	V146 L226 L230 S231 K272 N273 F275	V146-Y234 HydrophobicContact CG1-CD1 4.24Å; V146-Y234 HydrophobicContact CG1-CE1 4.12Å; V146-Y234 HydrophobicContact CG2-CE1 4.34Å; L226-Y234 HydrophobicContact CD1-CG 4.35Å; L226-Y234 HydrophobicContact CD2-CD2 3.52Å; L226-Y234 HydrophobicContact CD2-CE2 3.8Å; L226-Y234 HydrophobicContact CD2-CG 4.02Å; L230-Y234 HydrophobicContact CB-CD2 4.41Å; L230-Y234 VanDerWaalsContact O-CD2 3.3Å; L230-Y234 WeakPolarHBondContact O-CD2 3.2Å; L230-Y234 PolarHBondContact O-N 3Å; S231-Y234 PolarHBondContact O-N 2.73Å; Y234-K272 HydrophobicContact CD1-CB 3.97Å; Y234-K272 WeakPolarHBondContact CD1-O 3.12Å; Y234-K272 HydrophobicContact CD2-CB 4.07Å; Y234-K272 HydrophobicContact CE1-CB 4.13Å; Y234-K272 HydrophobicContact CE1-CD 4.35Å; Y234-K272 HydrophobicContact CE2-CB 4.24Å; Y234-K272 HydrophobicContact CE2-CD 4.35Å; Y234-K272 HydrophobicContact CE2-CG 4.3Å; Y234-K272 HydrophobicContact CG-CB 3.95Å; Y234-N273 VanDerWaalsContact O-CA 3.23Å; Y234-N273 WeakPolarHBondContact O-CA 3.21Å; Y234-N273 WeakPolarHBondContact O-CB 3.45Å; Y234-N273 PolarHBondContact O-OD1 2.7Å; Y234-F275 HydrophobicContact CD1-CE1 4.08Å; Y234-F275 HydrophobicContact CD1-CZ 4.07Å
235	C	94.3	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-129.3	-26.9	-165.9	-52.3	0	0	0	0	114.6	S231 Y253 T255 A284 C285 V288	S231-C235 WeakPolarHBondContact O-CA 3.48Å; S231-C235 VanDerWaalsContact O-CB 3.25Å; S231-C235 WeakPolarHBondContact O-CB 3.37Å; S231-C235 PolarHBondContact O-N 3.35Å; C235-Y253 HydrophobicContact CB-CD1 3.97Å; C235-T255 VanDerWaalsContact O-CG2 3.31Å; C235-T255 WeakPolarHBondContact O-CG2 3.48Å; C235-A284 PolarHBondContact SG-O 3.49Å; C235-C285 WeakPolarHBondContact CA-SG 3.35Å; C235-C285 HydrophobicContact CB-CB 3.71Å; C235-C285 WeakPolarHBondContact CB-SG 3.17Å; C235-C285 WeakPolarHBondContact SG-CA 3.4Å; C235-C285 WeakPolarHBondContact SG-CB 3.33Å; C235-C285 CovalentContact SG-SG 2.04Å; C235-C285 PolarHBondContact SG-SG 3.31Å; C235-V288 HydrophobicContact CB-CB 4.3Å; C235-V288 HydrophobicContact CB-CG1 3.99Å; C235-V288 HydrophobicContact CB-CG2 4.32Å
236	L	90.9	Very high	91.6	Very high	53 Å²	53	46.5 Å²	46.5	28%	0.277	25%	0.252	S	S	.	.	I	π-helix	trans	-97.4	-24	-175.3	-56.8	-173.1	0	0	0	113.6	S232 T255 V288 E293	S232-L236 WeakPolarHBondContact O-CA 3.34Å; S232-L236 WeakPolarHBondContact O-CB 3.25Å; S232-L236 PolarHBondContact O-N 3.41Å; S232-L236 VanDerWaalsContact O-N 3.07Å; L236-T255 HydrophobicContact CD2-CG2 3.46Å; L236-T255 VanDerWaalsContact CD2-CG2 3.46Å; L236-V288 HydrophobicContact CD2-CG1 3.55Å; L236-V288 HydrophobicContact CG-CG1 4.3Å; L236-E293 HydrophobicContact CD1-CB 4.4Å; L236-E293 WeakPolarHBondContact CD1-OE2 3.22Å
237	V	88.8	Confident	91.7	Very high	35 Å²	35	50 Å²	50	21%	0.212	28%	0.281	C	S	.	.	S	Bend	trans	-68.4	143.8	176.6	-58.6	0	0	0	0	111.1	S232 L233 N271 N273	S232-V237 PolarHBondContact O-N 3.09Å; L233-V237 WeakPolarHBondContact O-CG2 3.3Å; V237-N271 HydrophobicContact CG2-CB 4.48Å; V237-N273 HydrophobicContact CG2-CB 3.53Å; V237-N273 PolarHBondContact O-ND2 2.89Å
238	P	91.4	Very high	91.9	Very high	100 Å²	100	48.5 Å²	48.5	65%	0.649	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-63.6	156.3	175	28.2	-35	0	0	0	110.9	K240 N271	P238-K240 PolarHBondContact O-N 3.47Å; P238-N271 PolarHBondContact O-ND2 2.87Å
239	P	94.1	Very high	92.3	Very high	50 Å²	50	49 Å²	49	33%	0.325	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-62.4	138.4	175.4	26.5	-33.1	0	0	0	110.7	F252 F263	P239-F252 HydrophobicContact CB-CB 3.96Å; P239-F252 HydrophobicContact CB-CD1 4.02Å; P239-F252 HydrophobicContact CB-CD2 3.87Å; P239-F252 HydrophobicContact CB-CE2 4.38Å; P239-F252 HydrophobicContact CB-CG 3.67Å; P239-F252 HydrophobicContact CG-CD1 4.17Å; P239-F252 HydrophobicContact CG-CD2 3.72Å; P239-F252 HydrophobicContact CG-CE1 4.19Å; P239-F252 HydrophobicContact CG-CE2 3.74Å; P239-F252 HydrophobicContact CG-CG 3.95Å; P239-F252 HydrophobicContact CG-CZ 3.98Å; P239-F263 HydrophobicContact CB-CB 4.47Å; P239-F263 HydrophobicContact CB-CD1 4.27Å; P239-F263 HydrophobicContact CB-CD2 3.75Å; P239-F263 HydrophobicContact CB-CE1 4.42Å; P239-F263 HydrophobicContact CB-CE2 3.94Å; P239-F263 HydrophobicContact CB-CG 3.91Å; P239-F263 HydrophobicContact CB-CZ 4.26Å
240	K	93.4	Very high	92.9	Very high	18 Å²	18	44.8 Å²	44.8	8%	0.078	25%	0.254	C	S	.	.			trans	-112	116	178.8	-179	176.5	-176.5	176.5	0	110.8	P238 G242 L269 N271 A324 E326 C327	P238-K240 PolarHBondContact O-N 3.47Å; K240-G242 VanDerWaalsContact C-N 3.35Å; K240-L269 WeakPolarHBondContact CD-O 3.44Å; K240-L269 WeakPolarHBondContact CE-O 3.45Å; K240-N271 HydrophobicContact CB-CB 4.06Å; K240-N271 WeakPolarHBondContact CB-ND2 3.28Å; K240-N271 HydrophobicContact CD-CB 4.18Å; K240-A324 PolarHBondContact NZ-O 3.35Å; K240-E326 PolarHBondContact NZ-O 2.74Å; K240-C327 WeakPolarHBondContact CE-O 3.38Å
241	T	94.5	Very high	93.3	Very high	75 Å²	75	44.6 Å²	44.6	46%	0.46	25%	0.249	S	C	.	.			trans	-68.9	-34.6	173.9	-61.4	0	0	0	0	111.7	I264 Y265 G266	T241-I264 PolarHBondContact OG1-O 3.12Å; T241-Y265 WeakPolarHBondContact O-CD2 3.18Å; T241-G266 VanDerWaalsContact O-CA 3.31Å; T241-G266 WeakPolarHBondContact O-CA 3.24Å; T241-G266 PolarHBondContact O-N 3.37Å
242	G	92.9	Very high	93.6	Very high	20 Å²	20	45.5 Å²	45.5	21%	0.206	25%	0.253	C	S	.	.			trans	79.9	176.3	-176	0	0	0	0	0	112.8	K240	K240-G242 VanDerWaalsContact C-N 3.35Å
243	P	93.1	Very high	94.1	Very high	27 Å²	27	45.5 Å²	45.5	18%	0.175	25%	0.252	C	S	.	.	S	Bend	trans	-82.1	-16.7	-172.3	31.4	-35	0	0	0	114.1	L269 C327 C342 S346	P243-L269 HydrophobicContact CG-CD1 4.02Å; P243-C327 HydrophobicContact CB-CB 4.05Å; P243-C327 HydrophobicContact CG-CB 3.69Å; P243-C342 HydrophobicContact CB-CB 3.79Å; P243-C342 HydrophobicContact CG-CB 4.26Å; P243-S346 WeakPolarHBondContact O-CB 3.24Å; P243-S346 PolarHBondContact O-OG 3.31Å
244	C	94.8	Very high	94.4	Very high	4 Å²	4	45 Å²	45	3%	0.027	25%	0.249	C	C	.	.			trans	-73.1	155.5	176.1	-68.9	0	0	0	0	111.8	G266 C268 F349	C244-G266 CarbonylContact C-O 3.58Å; C244-G266 VanDerWaalsContact C-O 3.28Å; C244-G266 WeakPolarHBondContact CB-O 3.02Å; C244-G266 WeakPolarHBondContact O-CA 3.42Å; C244-C268 HydrophobicContact CB-CB 4Å; C244-C268 WeakPolarHBondContact CB-SG 3.32Å; C244-C268 PolarHBondContact N-SG 3.21Å; C244-C268 VanDerWaalsContact N-SG 3.4Å; C244-C268 WeakPolarHBondContact SG-CB 2.98Å; C244-C268 CovalentContact SG-SG 2.02Å; C244-C268 PolarHBondContact SG-SG 2.77Å; C244-F349 HydrophobicContact CB-CD1 3.69Å; C244-F349 HydrophobicContact CB-CE1 4.23Å; C244-F349 HydrophobicContact CB-CG 4.46Å
245	R	93.1	Very high	94.3	Very high	209 Å²	209	44.4 Å²	44.4	79%	0.789	25%	0.25	S	S	*	.			trans	-114.6	15.1	-167.5	-62.8	-174.8	174.8	-171.4	-2.6	114.5
246	A	94	Very high	94.2	Very high	20 Å²	20	50.3 Å²	50.3	17%	0.165	29%	0.286	C	S	.	.			trans	-78.1	173.9	172.7	0	0	0	0	0	111	F248 G266 F349 L353	A246-F248 HydrophobicContact CB-CD2 3.9Å; A246-F248 HydrophobicContact CB-CE2 3.34Å; A246-F248 HydrophobicContact CB-CZ 3.96Å; A246-G266 WeakPolarHBondContact CB-O 3.03Å; A246-G266 PolarHBondContact N-O 3.44Å; A246-G266 WeakPolarHBondContact O-CA 3.4Å; A246-F349 HydrophobicContact CB-CE1 3.8Å; A246-L353 HydrophobicContact CB-CD1 3.71Å
247	A	95.3	Very high	94.3	Very high	74 Å²	74	50.8 Å²	50.8	61%	0.612	29%	0.292	S	S	*	.			trans	-124.2	88.2	-179.1	0	0	0	0	0	111	I264	A247-I264 HydrophobicContact CB-CG2 3.8Å
248	F	96.1	Very high	94.5	Very high	7 Å²	7	57 Å²	57	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117	175.2	-60.6	-73.9	0	0	0	110.3	K45 V48 E49 A246 R250 Y265 F349	K45-F248 HydrophobicContact CG-CE1 4.36Å; K45-F248 WeakPolarHBondContact O-CE1 3.29Å; V48-F248 HydrophobicContact CB-CE1 4.19Å; V48-F248 HydrophobicContact CB-CE2 4.14Å; V48-F248 HydrophobicContact CB-CZ 3.83Å; V48-F248 HydrophobicContact CG1-CD1 4.4Å; V48-F248 HydrophobicContact CG1-CD2 3.83Å; V48-F248 HydrophobicContact CG1-CE1 4.18Å; V48-F248 HydrophobicContact CG1-CE2 3.55Å; V48-F248 HydrophobicContact CG1-CG 4.23Å; V48-F248 HydrophobicContact CG1-CZ 3.75Å; E49-F248 HydrophobicContact CB-CD1 4.09Å; E49-F248 HydrophobicContact CB-CE1 4.17Å; A246-F248 HydrophobicContact CB-CD2 3.9Å; A246-F248 HydrophobicContact CB-CE2 3.34Å; A246-F248 HydrophobicContact CB-CZ 3.96Å; F248-R250 PolarHBondContact O-N 3.17Å; F248-Y265 HydrophobicContact CB-CD1 4.16Å; F248-Y265 HydrophobicContact CD2-CD1 4.32Å; F248-Y265 PolarHBondContact N-O 2.62Å; F248-Y265 PolarHBondContact O-N 3.05Å; F248-F349 AromaticContact CE2-CE1 3.89Å; F248-F349 HydrophobicContact CE2-CE1 3.89Å; F248-F349 AromaticContact CE2-CZ 3.76Å; F248-F349 HydrophobicContact CE2-CZ 3.76Å; F248-F349 HydrophobicContact CZ-CE1 4.45Å; F248-F349 HydrophobicContact CZ-CZ 4.01Å
249	P	96.6	Very high	94.6	Very high	75 Å²	75	60.6 Å²	60.6	49%	0.487	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	122.5	173.2	-19.4	32.3	0	0	0	110.6
250	R	97.4	Very high	94.8	Very high	17 Å²	17	58.8 Å²	58.8	6%	0.064	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	165.4	176.5	-66.3	-65.8	-176.7	78.1	-0.9	110.3	V48 F248 K262 F263 Y265 N274	V48-R250 PolarHBondContact O-NH2 3.11Å; F248-R250 PolarHBondContact O-N 3.17Å; R250-K262 CarbonylContact O-C 3.44Å; R250-K262 VanDerWaalsContact O-CA 3.24Å; R250-K262 WeakPolarHBondContact O-CA 3.43Å; R250-F263 HydrophobicContact CB-CD1 3.97Å; R250-F263 HydrophobicContact CB-CE1 3.44Å; R250-F263 VanDerWaalsContact CB-CE1 3.44Å; R250-F263 HydrophobicContact CB-CZ 3.98Å; R250-F263 PolarHBondContact N-O 2.84Å; R250-F263 WeakPolarHBondContact O-CD1 3.25Å; R250-F263 PolarHBondContact O-N 3.5Å; R250-Y265 HydrophobicContact CG-CD1 4.19Å; R250-Y265 HydrophobicContact CG-CG 4.24Å; R250-N274 WeakPolarHBondContact CB-OD1 3.12Å; R250-N274 WeakPolarHBondContact CD-OD1 3.35Å; R250-N274 VanDerWaalsContact CG-OD1 3.28Å; R250-N274 WeakPolarHBondContact CG-OD1 3.48Å; R250-N274 PolarHBondContact NH1-OD1 3.11Å
251	W	98	Very high	95	Very high	58 Å²	58	60.9 Å²	60.9	22%	0.22	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.4	175.1	-64.4	83.8	0	0	0	110.4	C260 E261 K262 F275 N278 C281	W251-C260 HydrophobicContact CE3-CB 3.99Å; W251-C260 WeakPolarHBondContact CZ3-O 3.19Å; W251-E261 CarbonylContact C-O 3.52Å; W251-E261 WeakPolarHBondContact CA-O 3.23Å; W251-K262 HydrophobicContact CD2-CG 3.99Å; W251-K262 HydrophobicContact CE3-CG 4.07Å; W251-K262 HydrophobicContact CH2-CD 4.42Å; W251-K262 HydrophobicContact CH2-CG 3.93Å; W251-K262 HydrophobicContact CZ2-CD 4.13Å; W251-K262 HydrophobicContact CZ2-CG 3.82Å; W251-K262 HydrophobicContact CZ3-CG 4.04Å; W251-F275 HydrophobicContact CB-CB 4.21Å; W251-F275 PolarHBondContact N-O 3.16Å; W251-F275 WeakPolarHBondContact O-CD2 3.4Å; W251-F275 PolarHBondContact O-N 2.56Å; W251-N278 HydrophobicContact CD2-CB 3.75Å; W251-N278 HydrophobicContact CE3-CB 3.93Å; W251-N278 HydrophobicContact CG-CB 4.38Å; W251-N278 HydrophobicContact CH2-CB 3.88Å; W251-N278 HydrophobicContact CZ2-CB 3.71Å; W251-N278 HydrophobicContact CZ3-CB 3.99Å; W251-C281 HydrophobicContact CB-CB 4.12Å
252	F	97.8	Very high	95.2	Very high	23 Å²	23	64.1 Å²	64.1	10%	0.101	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.8	169.1	79.2	-77.6	0	0	0	109.1	P239 N254 C260 E261 F263 N273	P239-F252 HydrophobicContact CB-CB 3.96Å; P239-F252 HydrophobicContact CB-CD1 4.02Å; P239-F252 HydrophobicContact CB-CD2 3.87Å; P239-F252 HydrophobicContact CB-CE2 4.38Å; P239-F252 HydrophobicContact CB-CG 3.67Å; P239-F252 HydrophobicContact CG-CD1 4.17Å; P239-F252 HydrophobicContact CG-CD2 3.72Å; P239-F252 HydrophobicContact CG-CE1 4.19Å; P239-F252 HydrophobicContact CG-CE2 3.74Å; P239-F252 HydrophobicContact CG-CG 3.95Å; P239-F252 HydrophobicContact CG-CZ 3.98Å; F252-N254 HydrophobicContact CE2-CB 3.78Å; F252-N254 HydrophobicContact CZ-CB 4.18Å; F252-C260 CarbonylContact O-C 3.54Å; F252-C260 VanDerWaalsContact O-CA 3.3Å; F252-C260 WeakPolarHBondContact O-CA 3.49Å; F252-E261 HydrophobicContact CD1-CB 4.28Å; F252-E261 VanDerWaalsContact CD1-O 3.24Å; F252-E261 WeakPolarHBondContact CD1-O 3.39Å; F252-E261 HydrophobicContact CE1-CB 3.65Å; F252-E261 HydrophobicContact CZ-CB 4Å; F252-E261 PolarHBondContact N-O 2.8Å; F252-E261 PolarHBondContact O-N 2.84Å; F252-F263 HydrophobicContact CB-CD1 3.92Å; F252-F263 HydrophobicContact CB-CE1 3.95Å; F252-F263 HydrophobicContact CD1-CB 3.81Å; F252-F263 AromaticContact CD1-CD1 3.65Å; F252-F263 HydrophobicContact CD1-CD1 3.65Å; F252-F263 AromaticContact CD1-CG 3.97Å; F252-F263 HydrophobicContact CD1-CG 3.97Å; F252-F263 HydrophobicContact CE1-CB 4Å; F252-F263 HydrophobicContact CG-CD1 4.18Å; F252-N273 WeakPolarHBondContact CA-OD1 3.33Å; F252-N273 WeakPolarHBondContact CB-O 3.2Å
253	Y	97.6	Very high	95.4	Very high	5 Å²	5	64.2 Å²	64.2	2%	0.02	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.4	174.3	-173.8	-107.9	0	0	0	110.4	C235 T255 N273 C285 V288	C235-Y253 HydrophobicContact CB-CD1 3.97Å; Y253-T255 HydrophobicContact CD1-CG2 3.89Å; Y253-T255 HydrophobicContact CE1-CG2 3.85Å; Y253-N273 PolarHBondContact N-OD1 3.18Å; Y253-N273 PolarHBondContact O-ND2 2.82Å; Y253-C285 HydrophobicContact CD1-CB 3.68Å; Y253-C285 HydrophobicContact CD2-CB 3.5Å; Y253-C285 VanDerWaalsContact CD2-CB 3.5Å; Y253-C285 HydrophobicContact CE1-CB 4.17Å; Y253-C285 HydrophobicContact CE2-CB 4.03Å; Y253-C285 WeakPolarHBondContact CE2-O 3.33Å; Y253-C285 HydrophobicContact CG-CB 3.29Å; Y253-C285 PolarHBondContact OH-O 2.94Å; Y253-V288 HydrophobicContact CE1-CB 3.98Å; Y253-V288 PolarHBondContact OH-O 2.81Å
254	N	95.4	Very high	95.6	Very high	33 Å²	33	67.1 Å²	67.1	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.2	173.3	-175.4	-22.3	0	0	0	109.2	F252 T256 T257 R258 R259 E261	F252-N254 HydrophobicContact CE2-CB 3.78Å; F252-N254 HydrophobicContact CZ-CB 4.18Å; N254-T256 PolarHBondContact O-N 3.45Å; N254-T256 VanDerWaalsContact OD1-CB 3.26Å; N254-T256 WeakPolarHBondContact OD1-CB 3.28Å; N254-T256 PolarHBondContact OD1-N 3.46Å; N254-T257 WeakPolarHBondContact CB-OG1 3.31Å; N254-T257 PolarHBondContact O-N 3.46Å; N254-T257 PolarHBondContact OD1-N 3.43Å; N254-R258 VanDerWaalsContact O-CA 3.23Å; N254-R258 WeakPolarHBondContact O-CA 3.04Å; N254-R258 PolarHBondContact O-N 2.92Å; N254-R259 PolarHBondContact N-O 2.72Å; N254-R259 PolarHBondContact O-N 2.85Å; N254-E261 HydrophobicContact CB-CG 4.4Å; N254-E261 PolarHBondContact ND2-OE1 2.03Å; N254-E261 PolarHBondContact ND2-OE2 3.41Å
255	T	91.8	Very high	95.8	Very high	29 Å²	29	67.1 Å²	67.1	18%	0.178	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23	-178	57.6	0	0	0	0	113.2	C235 L236 Y253	C235-T255 VanDerWaalsContact O-CG2 3.31Å; C235-T255 WeakPolarHBondContact O-CG2 3.48Å; L236-T255 HydrophobicContact CD2-CG2 3.46Å; L236-T255 VanDerWaalsContact CD2-CG2 3.46Å; Y253-T255 HydrophobicContact CD1-CG2 3.89Å; Y253-T255 HydrophobicContact CE1-CG2 3.85Å
256	T	90.9	Very high	95.9	Very high	124 Å²	124	57.1 Å²	57.1	76%	0.761	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-45.6	178.7	-52.9	0	0	0	0	110.4	N254	N254-T256 PolarHBondContact O-N 3.45Å; N254-T256 VanDerWaalsContact OD1-CB 3.26Å; N254-T256 WeakPolarHBondContact OD1-CB 3.28Å; N254-T256 PolarHBondContact OD1-N 3.46Å
257	T	93.6	Very high	95.8	Very high	64 Å²	64	56.2 Å²	56.2	39%	0.393	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-13	178.5	64.6	0	0	0	0	112.9	N254 R259 E261	N254-T257 WeakPolarHBondContact CB-OG1 3.31Å; N254-T257 PolarHBondContact O-N 3.46Å; N254-T257 PolarHBondContact OD1-N 3.43Å; T257-R259 VanDerWaalsContact C-N 3.26Å; T257-R259 PolarHBondContact O-N 3.29Å; T257-E261 VanDerWaalsContact CB-OE1 3.29Å; T257-E261 WeakPolarHBondContact CB-OE1 3.48Å; T257-E261 VanDerWaalsContact CG2-OE1 3.23Å; T257-E261 WeakPolarHBondContact CG2-OE1 3.49Å; T257-E261 PolarHBondContact OG1-OE1 2.96Å
258	R	92.4	Very high	95.7	Very high	164 Å²	164	52.7 Å²	52.7	62%	0.619	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	38.9	-175	-55.4	-177	-174.9	177.3	0.2	112.5	N254	N254-R258 VanDerWaalsContact O-CA 3.23Å; N254-R258 WeakPolarHBondContact O-CA 3.04Å; N254-R258 PolarHBondContact O-N 2.92Å
259	R	94.7	Very high	95.5	Very high	176 Å²	176	52.8 Å²	52.8	66%	0.664	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.6	-176.2	-68.9	-179.8	-176.8	-174.1	0.3	110.3	N254 T257	N254-R259 PolarHBondContact N-O 2.72Å; N254-R259 PolarHBondContact O-N 2.85Å; T257-R259 VanDerWaalsContact C-N 3.26Å; T257-R259 PolarHBondContact O-N 3.29Å
260	C	97.7	Very high	95.3	Very high	12 Å²	12	51.6 Å²	51.6	8%	0.081	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.7	165.9	-67.9	0	0	0	0	109.4	W251 F252 N278 C281 M282	W251-C260 HydrophobicContact CE3-CB 3.99Å; W251-C260 WeakPolarHBondContact CZ3-O 3.19Å; F252-C260 CarbonylContact O-C 3.54Å; F252-C260 VanDerWaalsContact O-CA 3.3Å; F252-C260 WeakPolarHBondContact O-CA 3.49Å; C260-N278 WeakPolarHBondContact CB-OD1 3.37Å; C260-C281 HydrophobicContact CB-CB 3.77Å; C260-C281 WeakPolarHBondContact CB-SG 3.47Å; C260-C281 WeakPolarHBondContact SG-CB 3.42Å; C260-C281 CovalentContact SG-SG 2.02Å; C260-C281 PolarHBondContact SG-SG 2.88Å; C260-M282 HydrophobicContact CB-CG 4.26Å; C260-M282 HydrophobicContact CB-SD 3.98Å; C260-M282 PolarHBondContact SG-N 2.9Å; C260-M282 VanDerWaalsContact SG-N 3.38Å; C260-M282 PolarHBondContact SG-SD 3.42Å
261	E	98	Very high	95	Very high	63 Å²	63	51.5 Å²	51.5	29%	0.294	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.2	-177.3	-71	173.5	-171.7	0	0	109.7	W251 F252 N254 T257	W251-E261 CarbonylContact C-O 3.52Å; W251-E261 WeakPolarHBondContact CA-O 3.23Å; F252-E261 HydrophobicContact CD1-CB 4.28Å; F252-E261 VanDerWaalsContact CD1-O 3.24Å; F252-E261 WeakPolarHBondContact CD1-O 3.39Å; F252-E261 HydrophobicContact CE1-CB 3.65Å; F252-E261 HydrophobicContact CZ-CB 4Å; F252-E261 PolarHBondContact N-O 2.8Å; F252-E261 PolarHBondContact O-N 2.84Å; N254-E261 HydrophobicContact CB-CG 4.4Å; N254-E261 PolarHBondContact ND2-OE1 2.03Å; N254-E261 PolarHBondContact ND2-OE2 3.41Å; T257-E261 VanDerWaalsContact CB-OE1 3.29Å; T257-E261 WeakPolarHBondContact CB-OE1 3.48Å; T257-E261 VanDerWaalsContact CG2-OE1 3.23Å; T257-E261 WeakPolarHBondContact CG2-OE1 3.49Å; T257-E261 PolarHBondContact OG1-OE1 2.96Å
262	K	98.1	Very high	94.8	Very high	142 Å²	142	53 Å²	53	62%	0.617	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	142.6	177.1	-67.9	-175.6	179.6	-176.1	0	110.5	R250 W251	R250-K262 CarbonylContact O-C 3.44Å; R250-K262 VanDerWaalsContact O-CA 3.24Å; R250-K262 WeakPolarHBondContact O-CA 3.43Å; W251-K262 HydrophobicContact CD2-CG 3.99Å; W251-K262 HydrophobicContact CE3-CG 4.07Å; W251-K262 HydrophobicContact CH2-CD 4.42Å; W251-K262 HydrophobicContact CH2-CG 3.93Å; W251-K262 HydrophobicContact CZ2-CD 4.13Å; W251-K262 HydrophobicContact CZ2-CG 3.82Å; W251-K262 HydrophobicContact CZ3-CG 4.04Å
263	F	97.6	Very high	94.7	Very high	23 Å²	23	51.9 Å²	51.9	10%	0.101	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	169.3	168.4	80.9	-69.6	0	0	0	110.6	P239 R250 F252 N274	P239-F263 HydrophobicContact CB-CB 4.47Å; P239-F263 HydrophobicContact CB-CD1 4.27Å; P239-F263 HydrophobicContact CB-CD2 3.75Å; P239-F263 HydrophobicContact CB-CE1 4.42Å; P239-F263 HydrophobicContact CB-CE2 3.94Å; P239-F263 HydrophobicContact CB-CG 3.91Å; P239-F263 HydrophobicContact CB-CZ 4.26Å; R250-F263 HydrophobicContact CB-CD1 3.97Å; R250-F263 HydrophobicContact CB-CE1 3.44Å; R250-F263 VanDerWaalsContact CB-CE1 3.44Å; R250-F263 HydrophobicContact CB-CZ 3.98Å; R250-F263 PolarHBondContact N-O 2.84Å; R250-F263 WeakPolarHBondContact O-CD1 3.25Å; R250-F263 PolarHBondContact O-N 3.5Å; F252-F263 HydrophobicContact CB-CD1 3.92Å; F252-F263 HydrophobicContact CB-CE1 3.95Å; F252-F263 HydrophobicContact CD1-CB 3.81Å; F252-F263 AromaticContact CD1-CD1 3.65Å; F252-F263 HydrophobicContact CD1-CD1 3.65Å; F252-F263 AromaticContact CD1-CG 3.97Å; F252-F263 HydrophobicContact CD1-CG 3.97Å; F252-F263 HydrophobicContact CE1-CB 4Å; F252-F263 HydrophobicContact CG-CD1 4.18Å; F263-N274 HydrophobicContact CZ-CB 4.15Å
264	I	97.7	Very high	94.6	Very high	88 Å²	88	52.7 Å²	52.7	45%	0.451	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.4	176.4	-57.3	-58	0	0	0	109.6	T241 A247	T241-I264 PolarHBondContact OG1-O 3.12Å; A247-I264 HydrophobicContact CB-CG2 3.8Å
265	Y	97.2	Very high	94.6	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.7	171.6	170.4	-122.5	0	0	0	110.3	V48 T241 F248 R250 G267 C268 P270 N274	V48-Y265 HydrophobicContact CG1-CE1 4.23Å; T241-Y265 WeakPolarHBondContact O-CD2 3.18Å; F248-Y265 HydrophobicContact CB-CD1 4.16Å; F248-Y265 HydrophobicContact CD2-CD1 4.32Å; F248-Y265 PolarHBondContact N-O 2.62Å; F248-Y265 PolarHBondContact O-N 3.05Å; R250-Y265 HydrophobicContact CG-CD1 4.19Å; R250-Y265 HydrophobicContact CG-CG 4.24Å; Y265-G267 VanDerWaalsContact C-N 3.33Å; Y265-G267 VanDerWaalsContact CE1-C 3.45Å; Y265-G267 PolarHBondContact O-N 3.48Å; Y265-G267 PolarHBondContact OH-O 3.31Å; Y265-G267 VanDerWaalsContact OH-O 3.08Å; Y265-C268 WeakPolarHBondContact CE2-O 3.46Å; Y265-C268 VanDerWaalsContact CZ-N 3.28Å; Y265-C268 WeakPolarHBondContact OH-CA 3.22Å; Y265-C268 PolarHBondContact OH-N 3.12Å; Y265-P270 HydrophobicContact CD2-CB 4.33Å; Y265-P270 HydrophobicContact CE2-CB 3.62Å; Y265-P270 HydrophobicContact CE2-CG 4.29Å; Y265-P270 VanDerWaalsContact OH-CD 3.24Å; Y265-P270 WeakPolarHBondContact OH-CD 3.19Å; Y265-N274 WeakPolarHBondContact CD2-ND2 3.38Å
266	G	95.1	Very high	94.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.			trans	-74.7	-17.8	-174.6	0	0	0	0	0	115	T241 C244 A246	T241-G266 VanDerWaalsContact O-CA 3.31Å; T241-G266 WeakPolarHBondContact O-CA 3.24Å; T241-G266 PolarHBondContact O-N 3.37Å; C244-G266 CarbonylContact C-O 3.58Å; C244-G266 VanDerWaalsContact C-O 3.28Å; C244-G266 WeakPolarHBondContact CB-O 3.02Å; C244-G266 WeakPolarHBondContact O-CA 3.42Å; A246-G266 WeakPolarHBondContact CB-O 3.03Å; A246-G266 PolarHBondContact N-O 3.44Å; A246-G266 WeakPolarHBondContact O-CA 3.4Å
267	G	93.7	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	112.6	-16.2	176.4	0	0	0	0	0	115.9	Y265	Y265-G267 VanDerWaalsContact C-N 3.33Å; Y265-G267 VanDerWaalsContact CE1-C 3.45Å; Y265-G267 PolarHBondContact O-N 3.48Å; Y265-G267 PolarHBondContact OH-O 3.31Å; Y265-G267 VanDerWaalsContact OH-O 3.08Å
268	C	93.1	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-140	158.8	176.3	67.5	0	0	0	0	113.4	L54 C244 Y265 L345	L54-C268 HydrophobicContact CB-CB 4.25Å; L54-C268 HydrophobicContact CD2-CB 4.07Å; L54-C268 HydrophobicContact CG-CB 4.49Å; C244-C268 HydrophobicContact CB-CB 4Å; C244-C268 WeakPolarHBondContact CB-SG 3.32Å; C244-C268 PolarHBondContact N-SG 3.21Å; C244-C268 VanDerWaalsContact N-SG 3.4Å; C244-C268 WeakPolarHBondContact SG-CB 2.98Å; C244-C268 CovalentContact SG-SG 2.02Å; C244-C268 PolarHBondContact SG-SG 2.77Å; Y265-C268 WeakPolarHBondContact CE2-O 3.46Å; Y265-C268 VanDerWaalsContact CZ-N 3.28Å; Y265-C268 WeakPolarHBondContact OH-CA 3.22Å; Y265-C268 PolarHBondContact OH-N 3.12Å; C268-L345 HydrophobicContact CB-CD2 3.99Å; C268-L345 HydrophobicContact CB-CG 4.45Å
269	L	90.4	Very high	94.7	Very high	10 Å²	10	47 Å²	47	5%	0.052	23%	0.226	C	C	.	.	S	Bend	trans	48.3	60.4	179.6	-59	175.6	0	0	0	114.3	K240 P243 R323 E326 C327 L345	K240-L269 WeakPolarHBondContact CD-O 3.44Å; K240-L269 WeakPolarHBondContact CE-O 3.45Å; P243-L269 HydrophobicContact CG-CD1 4.02Å; L269-R323 HydrophobicContact CD2-CG 4.46Å; L269-E326 HydrophobicContact CD1-CB 4.45Å; L269-E326 HydrophobicContact CD1-CG 3.89Å; L269-C327 HydrophobicContact CD1-CB 3.86Å; L269-C327 WeakPolarHBondContact CD1-SG 3.33Å; L269-L345 HydrophobicContact CD1-CD2 3.63Å; L269-L345 HydrophobicContact CD2-CD2 4.43Å; L269-L345 HydrophobicContact CG-CD2 3.73Å
270	P	93.1	Very high	94.7	Very high	49 Å²	49	40.3 Å²	40.3	32%	0.318	20%	0.202	S	C	.	.			trans	-73.4	155.3	175.2	33.9	-29.4	0	0	0	110	Y265 N274	Y265-P270 HydrophobicContact CD2-CB 4.33Å; Y265-P270 HydrophobicContact CE2-CB 3.62Å; Y265-P270 HydrophobicContact CE2-CG 4.29Å; Y265-P270 VanDerWaalsContact OH-CD 3.24Å; Y265-P270 WeakPolarHBondContact OH-CD 3.19Å; P270-N274 HydrophobicContact CB-CB 4.15Å; P270-N274 WeakPolarHBondContact CB-ND2 3.21Å
271	N	91.8	Very high	94.6	Very high	16 Å²	16	39.7 Å²	39.7	9%	0.086	20%	0.198	C	C	.	.			trans	-85.5	-178.7	159.8	65.9	9.9	0	0	0	110.6	V237 P238 K240 N273 N274 A324	V237-N271 HydrophobicContact CG2-CB 4.48Å; P238-N271 PolarHBondContact O-ND2 2.87Å; K240-N271 HydrophobicContact CB-CB 4.06Å; K240-N271 WeakPolarHBondContact CB-ND2 3.28Å; K240-N271 HydrophobicContact CD-CB 4.18Å; N271-N273 PolarHBondContact OD1-N 3.49Å; N271-N274 WeakPolarHBondContact O-CB 3.24Å; N271-A324 HydrophobicContact CB-CB 4Å
272	K	92.5	Very high	94.4	Very high	88 Å²	88	39.4 Å²	39.4	38%	0.383	20%	0.197	S	C	.	.	S	Bend	trans	-75.7	-20.4	-176.3	-60.1	-64.1	-175	-178.6	0	113.8	L233 Y234 N274	L233-K272 HydrophobicContact CB-CB 4.34Å; L233-K272 HydrophobicContact CB-CG 4.32Å; L233-K272 WeakPolarHBondContact O-CB 3.43Å; Y234-K272 HydrophobicContact CD1-CB 3.97Å; Y234-K272 WeakPolarHBondContact CD1-O 3.12Å; Y234-K272 HydrophobicContact CD2-CB 4.07Å; Y234-K272 HydrophobicContact CE1-CB 4.13Å; Y234-K272 HydrophobicContact CE1-CD 4.35Å; Y234-K272 HydrophobicContact CE2-CB 4.24Å; Y234-K272 HydrophobicContact CE2-CD 4.35Å; Y234-K272 HydrophobicContact CE2-CG 4.3Å; Y234-K272 HydrophobicContact CG-CB 3.95Å; K272-N274 PolarHBondContact O-N 2.86Å
273	N	95.5	Very high	94.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.178	C	C	.	.	S	Bend	trans	-82.5	57.3	172.2	-164.5	2.4	0	0	0	111.3	Y234 V237 F252 Y253 N271 F275	Y234-N273 VanDerWaalsContact O-CA 3.23Å; Y234-N273 WeakPolarHBondContact O-CA 3.21Å; Y234-N273 WeakPolarHBondContact O-CB 3.45Å; Y234-N273 PolarHBondContact O-OD1 2.7Å; V237-N273 HydrophobicContact CG2-CB 3.53Å; V237-N273 PolarHBondContact O-ND2 2.89Å; F252-N273 WeakPolarHBondContact CA-OD1 3.33Å; F252-N273 WeakPolarHBondContact CB-O 3.2Å; Y253-N273 PolarHBondContact N-OD1 3.18Å; Y253-N273 PolarHBondContact O-ND2 2.82Å; N271-N273 PolarHBondContact OD1-N 3.49Å; N273-F275 WeakPolarHBondContact OD1-CE2 3.39Å
274	N	95.8	Very high	94	Very high	21 Å²	21	33 Å²	33	11%	0.112	17%	0.173	C	C	.	.			trans	-146.6	108.8	-179.4	-177.3	-30.1	0	0	0	108.4	R250 F263 Y265 P270 N271 K272	R250-N274 WeakPolarHBondContact CB-OD1 3.12Å; R250-N274 WeakPolarHBondContact CD-OD1 3.35Å; R250-N274 VanDerWaalsContact CG-OD1 3.28Å; R250-N274 WeakPolarHBondContact CG-OD1 3.48Å; R250-N274 PolarHBondContact NH1-OD1 3.11Å; F263-N274 HydrophobicContact CZ-CB 4.15Å; Y265-N274 WeakPolarHBondContact CD2-ND2 3.38Å; P270-N274 HydrophobicContact CB-CB 4.15Å; P270-N274 WeakPolarHBondContact CB-ND2 3.21Å; N271-N274 WeakPolarHBondContact O-CB 3.24Å; K272-N274 PolarHBondContact O-N 2.86Å
275	F	95.9	Very high	93.9	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.048	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-120.1	145.4	-175.1	-54.7	-85	0	0	0	110.4	Y234 W251 N273 E280 C281 A284	Y234-F275 HydrophobicContact CD1-CE1 4.08Å; Y234-F275 HydrophobicContact CD1-CZ 4.07Å; W251-F275 HydrophobicContact CB-CB 4.21Å; W251-F275 PolarHBondContact N-O 3.16Å; W251-F275 WeakPolarHBondContact O-CD2 3.4Å; W251-F275 PolarHBondContact O-N 2.56Å; N273-F275 WeakPolarHBondContact OD1-CE2 3.39Å; F275-E280 HydrophobicContact CB-CB 4.45Å; F275-E280 HydrophobicContact CD1-CB 4.31Å; F275-C281 HydrophobicContact CB-CB 3.84Å; F275-C281 HydrophobicContact CD1-CB 4.41Å; F275-C281 HydrophobicContact CD2-CB 3.43Å; F275-C281 VanDerWaalsContact CD2-CB 3.43Å; F275-C281 HydrophobicContact CE2-CB 4.06Å; F275-C281 HydrophobicContact CG-CB 3.64Å; F275-A284 HydrophobicContact CE1-CB 3.56Å; F275-A284 HydrophobicContact CZ-CB 3.7Å
276	L	93.4	Very high	93.7	Very high	28 Å²	28	35.5 Å²	35.5	15%	0.147	18%	0.177	C	C	.	.	S	Bend	trans	-75.2	-40.2	178.2	-174.1	56.8	0	0	0	110.8	E49 E280	E49-L276 WeakPolarHBondContact O-CD1 3.31Å; L276-E280 PolarHBondContact N-OE2 3.05Å
277	F	92.5	Very high	93.3	Very high	90 Å²	90	38.5 Å²	38.5	40%	0.395	21%	0.208	S	C	.	.	S	Bend	trans	-121	150.6	-179	-53.4	-73.3	0	0	0	113.2	T279 E280 C281	F277-T279 VanDerWaalsContact C-N 3.29Å; F277-T279 PolarHBondContact O-N 3.07Å; F277-E280 HydrophobicContact CB-CG 4.06Å; F277-E280 HydrophobicContact CD2-CG 4.32Å; F277-E280 PolarHBondContact N-OE2 3.15Å; F277-E280 WeakPolarHBondContact O-CB 3.36Å; F277-E280 PolarHBondContact O-N 3.49Å; F277-C281 PolarHBondContact O-N 3.35Å
278	N	94.6	Very high	93.2	Very high	63 Å²	63	38.9 Å²	38.9	34%	0.337	21%	0.21	S	C	.	.	H	α-helix	trans	-59.2	-40.3	175.8	-176.4	26.8	0	0	0	112.3	W251 C260 E280 C281 M282	W251-N278 HydrophobicContact CD2-CB 3.75Å; W251-N278 HydrophobicContact CE3-CB 3.93Å; W251-N278 HydrophobicContact CG-CB 4.38Å; W251-N278 HydrophobicContact CH2-CB 3.88Å; W251-N278 HydrophobicContact CZ2-CB 3.71Å; W251-N278 HydrophobicContact CZ3-CB 3.99Å; C260-N278 WeakPolarHBondContact CB-OD1 3.37Å; N278-E280 VanDerWaalsContact C-N 3.26Å; N278-E280 PolarHBondContact O-N 3.31Å; N278-C281 PolarHBondContact O-N 2.75Å; N278-M282 WeakPolarHBondContact O-CB 3.19Å; N278-M282 VanDerWaalsContact O-CG 3.31Å; N278-M282 WeakPolarHBondContact O-CG 3.16Å; N278-M282 PolarHBondContact O-N 3.06Å; N278-M282 WeakPolarHBondContact OD1-CG 3.47Å
279	T	91.2	Very high	92.8	Very high	104 Å²	104	40.2 Å²	40.2	64%	0.638	22%	0.218	S	C	*	.	H	α-helix	trans	-59.6	-39.1	179.5	46	0	0	0	0	111.8	F277 S283	F277-T279 VanDerWaalsContact C-N 3.29Å; F277-T279 PolarHBondContact O-N 3.07Å; T279-S283 VanDerWaalsContact O-CB 3.29Å; T279-S283 WeakPolarHBondContact O-CB 3.32Å; T279-S283 PolarHBondContact O-N 2.68Å
280	E	92.8	Very high	91.9	Very high	34 Å²	34	44.6 Å²	44.6	16%	0.159	25%	0.246	C	C	.	.	H	α-helix	trans	-68.2	-46.5	176.5	-58.1	179.5	145.6	0	0	111.7	K102 F275 L276 F277 N278 M282 S283 A284	K102-E280 IonicContact NZ-OE1 2.97Å; K102-E280 PolarHBondContact NZ-OE1 3.41Å; K102-E280 IonicContact NZ-OE2 3.62Å; K102-E280 PolarHBondContact NZ-OE2 3.23Å; F275-E280 HydrophobicContact CB-CB 4.45Å; F275-E280 HydrophobicContact CD1-CB 4.31Å; L276-E280 PolarHBondContact N-OE2 3.05Å; F277-E280 HydrophobicContact CB-CG 4.06Å; F277-E280 HydrophobicContact CD2-CG 4.32Å; F277-E280 PolarHBondContact N-OE2 3.15Å; F277-E280 WeakPolarHBondContact O-CB 3.36Å; F277-E280 PolarHBondContact O-N 3.49Å; N278-E280 VanDerWaalsContact C-N 3.26Å; N278-E280 PolarHBondContact O-N 3.31Å; E280-M282 VanDerWaalsContact C-N 3.31Å; E280-M282 PolarHBondContact O-N 3.04Å; E280-S283 PolarHBondContact O-N 3.44Å; E280-A284 WeakPolarHBondContact O-CB 3.46Å; E280-A284 PolarHBondContact O-N 3.26Å
281	C	96.1	Very high	90.4	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-45	176.1	175	0	0	0	0	111.3	W251 C260 F275 F277 N278 A284 C285	W251-C281 HydrophobicContact CB-CB 4.12Å; C260-C281 HydrophobicContact CB-CB 3.77Å; C260-C281 WeakPolarHBondContact CB-SG 3.47Å; C260-C281 WeakPolarHBondContact SG-CB 3.42Å; C260-C281 CovalentContact SG-SG 2.02Å; C260-C281 PolarHBondContact SG-SG 2.88Å; F275-C281 HydrophobicContact CB-CB 3.84Å; F275-C281 HydrophobicContact CD1-CB 4.41Å; F275-C281 HydrophobicContact CD2-CB 3.43Å; F275-C281 VanDerWaalsContact CD2-CB 3.43Å; F275-C281 HydrophobicContact CE2-CB 4.06Å; F275-C281 HydrophobicContact CG-CB 3.64Å; F277-C281 PolarHBondContact O-N 3.35Å; N278-C281 PolarHBondContact O-N 2.75Å; C281-A284 PolarHBondContact O-N 3.02Å; C281-C285 WeakPolarHBondContact O-CB 3.48Å; C281-C285 PolarHBondContact O-N 3Å
282	M	94.7	Very high	88.8	Confident	56 Å²	56	49.2 Å²	49.2	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-41.5	179	-70.6	-61.5	-59.5	0	0	111.4	C260 N278 E280 A284 C285 R286	C260-M282 HydrophobicContact CB-CG 4.26Å; C260-M282 HydrophobicContact CB-SD 3.98Å; C260-M282 PolarHBondContact SG-N 2.9Å; C260-M282 VanDerWaalsContact SG-N 3.38Å; C260-M282 PolarHBondContact SG-SD 3.42Å; N278-M282 WeakPolarHBondContact O-CB 3.19Å; N278-M282 VanDerWaalsContact O-CG 3.31Å; N278-M282 WeakPolarHBondContact O-CG 3.16Å; N278-M282 PolarHBondContact O-N 3.06Å; N278-M282 WeakPolarHBondContact OD1-CG 3.47Å; E280-M282 VanDerWaalsContact C-N 3.31Å; E280-M282 PolarHBondContact O-N 3.04Å; M282-A284 VanDerWaalsContact C-N 3.3Å; M282-A284 PolarHBondContact O-N 3.38Å; M282-C285 PolarHBondContact O-N 3.35Å; M282-R286 HydrophobicContact CE-CB 4.48Å; M282-R286 WeakPolarHBondContact O-CB 3.39Å; M282-R286 PolarHBondContact O-N 3.38Å
283	S	93	Very high	86.9	Confident	31 Å²	31	46.2 Å²	46.2	22%	0.217	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-45.4	173.3	176.4	0	0	0	0	111.4	V146 L147 Q148 T279 E280	V146-S283 PolarHBondContact O-OG 3.32Å; L147-S283 VanDerWaalsContact CA-O 3.27Å; L147-S283 WeakPolarHBondContact CA-O 3.37Å; L147-S283 WeakPolarHBondContact CB-OG 3.28Å; Q148-S283 PolarHBondContact N-O 3Å; Q148-S283 VanDerWaalsContact N-O 3.1Å; T279-S283 VanDerWaalsContact O-CB 3.29Å; T279-S283 WeakPolarHBondContact O-CB 3.32Å; T279-S283 PolarHBondContact O-N 2.68Å; E280-S283 PolarHBondContact O-N 3.44Å
284	A	94.6	Very high	84.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-74.8	-27.8	-176.8	0	0	0	0	0	114.2	V146 Q148 L226 C235 F275 E280 C281 M282	V146-A284 HydrophobicContact CB-CB 4.39Å; V146-A284 HydrophobicContact CG1-CB 4.05Å; Q148-A284 VanDerWaalsContact CG-O 3.25Å; Q148-A284 WeakPolarHBondContact CG-O 3.37Å; Q148-A284 PolarHBondContact NE2-O 3.49Å; L226-A284 HydrophobicContact CD1-CB 4.37Å; L226-A284 WeakPolarHBondContact CD1-O 3.42Å; C235-A284 PolarHBondContact SG-O 3.49Å; F275-A284 HydrophobicContact CE1-CB 3.56Å; F275-A284 HydrophobicContact CZ-CB 3.7Å; E280-A284 WeakPolarHBondContact O-CB 3.46Å; E280-A284 PolarHBondContact O-N 3.26Å; C281-A284 PolarHBondContact O-N 3.02Å; M282-A284 VanDerWaalsContact C-N 3.3Å; M282-A284 PolarHBondContact O-N 3.38Å
285	C	95.2	Very high	82.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-131.8	-0.1	-166.8	-62.4	0	0	0	0	116	C235 Y253 C281 M282 G287 V288	C235-C285 WeakPolarHBondContact CA-SG 3.35Å; C235-C285 HydrophobicContact CB-CB 3.71Å; C235-C285 WeakPolarHBondContact CB-SG 3.17Å; C235-C285 WeakPolarHBondContact SG-CA 3.4Å; C235-C285 WeakPolarHBondContact SG-CB 3.33Å; C235-C285 CovalentContact SG-SG 2.04Å; C235-C285 PolarHBondContact SG-SG 3.31Å; Y253-C285 HydrophobicContact CD1-CB 3.68Å; Y253-C285 HydrophobicContact CD2-CB 3.5Å; Y253-C285 VanDerWaalsContact CD2-CB 3.5Å; Y253-C285 HydrophobicContact CE1-CB 4.17Å; Y253-C285 HydrophobicContact CE2-CB 4.03Å; Y253-C285 WeakPolarHBondContact CE2-O 3.33Å; Y253-C285 HydrophobicContact CG-CB 3.29Å; Y253-C285 PolarHBondContact OH-O 2.94Å; C281-C285 WeakPolarHBondContact O-CB 3.48Å; C281-C285 PolarHBondContact O-N 3Å; M282-C285 PolarHBondContact O-N 3.35Å; C285-G287 PolarHBondContact O-N 3.42Å; C285-V288 WeakPolarHBondContact O-CB 3.49Å; C285-V288 WeakPolarHBondContact O-CG2 3.03Å; C285-V288 PolarHBondContact O-N 2.9Å; C285-V288 VanDerWaalsContact O-N 3.15Å
286	R	91.9	Very high	79.8	Confident	143 Å²	143	63.6 Å²	63.6	54%	0.54	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	128.3	179.6	174	180	-115.9	174.5	-3.1	111.2	E151 M282 V288	E151-R286 WeakPolarHBondContact OE1-CD 3.43Å; E151-R286 IonicContact OE2-NH1 2.78Å; M282-R286 HydrophobicContact CE-CB 4.48Å; M282-R286 WeakPolarHBondContact O-CB 3.39Å; M282-R286 PolarHBondContact O-N 3.38Å; R286-V288 VanDerWaalsContact C-N 3.28Å; R286-V288 PolarHBondContact O-N 3Å
287	G	87.9	Confident	77.3	Confident	64 Å²	64	68.8 Å²	68.8	66%	0.66	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-4.9	175.2	0	0	0	0	0	115.1	C285	C285-G287 PolarHBondContact O-N 3.42Å
288	V	90.4	Very high	75.1	Confident	7 Å²	7	68.6 Å²	68.6	4%	0.042	39%	0.389	C	S	.	.			trans	-68.4	133.8	177.8	177.8	0	0	0	0	110.5	Q148 C235 L236 Y253 C285 R286	Q148-V288 HydrophobicContact CG-CG2 4.15Å; Q148-V288 VanDerWaalsContact NE2-CG2 3.32Å; C235-V288 HydrophobicContact CB-CB 4.3Å; C235-V288 HydrophobicContact CB-CG1 3.99Å; C235-V288 HydrophobicContact CB-CG2 4.32Å; L236-V288 HydrophobicContact CD2-CG1 3.55Å; L236-V288 HydrophobicContact CG-CG1 4.3Å; Y253-V288 HydrophobicContact CE1-CB 3.98Å; Y253-V288 PolarHBondContact OH-O 2.81Å; C285-V288 WeakPolarHBondContact O-CB 3.49Å; C285-V288 WeakPolarHBondContact O-CG2 3.03Å; C285-V288 PolarHBondContact O-N 2.9Å; C285-V288 VanDerWaalsContact O-N 3.15Å; R286-V288 VanDerWaalsContact C-N 3.28Å; R286-V288 PolarHBondContact O-N 3Å
289	T	84.8	Confident	72.7	Confident	28 Å²	28	70.8 Å²	70.8	17%	0.172	40%	0.4	C	S	.	.			trans	-134.8	152.9	178.3	64.7	0	0	0	0	111.7	S291 S292	T289-S291 PolarHBondContact O-N 2.92Å; T289-S291 VanDerWaalsContact O-N 3.1Å; T289-S291 PolarHBondContact OG1-OG 2.77Å; T289-S292 WeakPolarHBondContact O-CB 3.47Å; T289-S292 PolarHBondContact O-N 2.87Å
290	V	72.3	Confident	71	Confident	103 Å²	103	69.1 Å²	69.1	62%	0.624	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-58	-26.2	179.5	-174.7	0	0	0	0	112.8
291	S	61.5	Low	69.5	Low	78 Å²	78	74.2 Å²	74.2	55%	0.545	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-79.4	-17.1	176.1	38	0	0	0	0	114.6	T289 E293	T289-S291 PolarHBondContact O-N 2.92Å; T289-S291 VanDerWaalsContact O-N 3.1Å; T289-S291 PolarHBondContact OG1-OG 2.77Å; S291-E293 PolarHBondContact O-N 3.44Å
292	S	57.2	Low	68.2	Low	84 Å²	84	76.7 Å²	76.7	59%	0.587	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-68.2	-15.1	-176.4	-162.8	0	0	0	0	113.1	T289	T289-S292 WeakPolarHBondContact O-CB 3.47Å; T289-S292 PolarHBondContact O-N 2.87Å
293	E	54.5	Low	67.3	Low	24 Å²	24	78.4 Å²	78.4	11%	0.112	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-141.9	35.1	-169.3	-69	172.9	-168.5	0	0	113	P228 S231 S232 L236 S291 S295 I296	P228-E293 WeakPolarHBondContact CA-OE1 3.01Å; P228-E293 HydrophobicContact CB-CG 4.23Å; P228-E293 VanDerWaalsContact O-CD 3.25Å; S231-E293 VanDerWaalsContact CB-OE1 3.23Å; S231-E293 WeakPolarHBondContact CB-OE1 3.33Å; S232-E293 VanDerWaalsContact CB-OE2 3.27Å; S232-E293 WeakPolarHBondContact CB-OE2 3.37Å; L236-E293 HydrophobicContact CD1-CB 4.4Å; L236-E293 WeakPolarHBondContact CD1-OE2 3.22Å; S291-E293 PolarHBondContact O-N 3.44Å; E293-S295 PolarHBondContact O-N 3.48Å; E293-I296 PolarHBondContact O-N 3.16Å; E293-I296 VanDerWaalsContact O-N 3.14Å
294	R	46	Very low	66.8	Low	225 Å²	225	80.6 Å²	80.6	85%	0.849	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	5.9	177.4	-91.7	-175.6	179.3	173	0.2	116
295	S	43.8	Very low	65.9	Low	119 Å²	119	84.5 Å²	84.5	83%	0.832	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	5.1	176.9	-67.7	0	0	0	0	115	E293	E293-S295 PolarHBondContact O-N 3.48Å
296	I	46.9	Very low	65.2	Low	55 Å²	55	87.2 Å²	87.2	28%	0.282	51%	0.507	S	S	.	.			trans	-111.1	85.5	172.9	-44	175.3	0	0	0	108.2	P228 E229 E293 L298	P228-I296 HydrophobicContact CB-CD1 4.15Å; E229-I296 HydrophobicContact CG-CD1 4.04Å; E293-I296 PolarHBondContact O-N 3.16Å; E293-I296 VanDerWaalsContact O-N 3.14Å; I296-L298 HydrophobicContact CG2-CD2 4.22Å; I296-L298 HydrophobicContact CG2-CG 3.88Å; I296-L298 PolarHBondContact O-N 3.17Å
297	T	40.4	Very low	64.7	Low	136 Å²	136	86.4 Å²	86.4	83%	0.834	52%	0.52	S	S	*	.			trans	-58.6	93.5	143.7	16.5	0	0	0	0	105.3	N299	T297-N299 PolarHBondContact O-N 2.86Å
298	L	46.9	Very low	64.5	Low	87 Å²	87	84.9 Å²	84.9	46%	0.455	50%	0.499	S	S	.	.			trans	-63.7	77.2	154.9	-84	171.9	0	0	0	104.6	S232 L233 I296 P300	S232-L298 WeakPolarHBondContact OG-CD1 3.42Å; L233-L298 HydrophobicContact CD2-CD1 4.1Å; I296-L298 HydrophobicContact CG2-CD2 4.22Å; I296-L298 HydrophobicContact CG2-CG 3.88Å; I296-L298 PolarHBondContact O-N 3.17Å; L298-P300 VanDerWaalsContact C-N 3.34Å; L298-P300 WeakPolarHBondContact O-CD 3.38Å
299	N	44.9	Very low	64	Low	108 Å²	108	93 Å²	93	58%	0.578	53%	0.529	S	S	*	.			trans	-64.6	109.8	153.4	-154.2	27.1	0	0	0	101.4	T297 Q301	T297-N299 PolarHBondContact O-N 2.86Å; N299-Q301 HydrophobicContact CB-CG 3.86Å; N299-Q301 PolarHBondContact ND2-NE2 2.92Å; N299-Q301 WeakPolarHBondContact O-CG 3.31Å; N299-Q301 PolarHBondContact O-N 3.31Å
300	P	55.9	Low	63.4	Low	70 Å²	70	95.2 Å²	95.2	46%	0.455	54%	0.544	S	S	.	.			trans	-70.9	84.1	179.1	19.3	-10.1	0	0	0	104.9	L298 K302 L325	L298-P300 VanDerWaalsContact C-N 3.34Å; L298-P300 WeakPolarHBondContact O-CD 3.38Å; P300-K302 PolarHBondContact O-N 2.03Å; P300-L325 HydrophobicContact CB-CD1 3.47Å; P300-L325 VanDerWaalsContact CB-CD1 3.47Å; P300-L325 HydrophobicContact CG-CD1 4.35Å
301	Q	60.7	Low	63.4	Low	141 Å²	141	94.3 Å²	94.3	66%	0.659	54%	0.536	S	S	*	.			trans	-76.5	99.8	-172.8	-67.1	-157.2	-54.9	0	0	105.5	N299 E303	N299-Q301 HydrophobicContact CB-CG 3.86Å; N299-Q301 PolarHBondContact ND2-NE2 2.92Å; N299-Q301 WeakPolarHBondContact O-CG 3.31Å; N299-Q301 PolarHBondContact O-N 3.31Å; Q301-E303 WeakPolarHBondContact O-CG 3.47Å; Q301-E303 PolarHBondContact O-N 3.04Å
302	K	69.2	Low	64.4	Low	51 Å²	51	92.6 Å²	92.6	22%	0.222	52%	0.519	C	S	.	.			trans	-35.1	109.8	149.2	179.2	-173.8	-177.1	-154	0	108.5	P300 D317 C319 C320 S334	P300-K302 PolarHBondContact O-N 2.03Å; K302-D317 VanDerWaalsContact CE-OD2 3.25Å; K302-D317 WeakPolarHBondContact CE-OD2 3.38Å; K302-D317 IonicContact NZ-OD1 3.75Å; K302-D317 IonicContact NZ-OD2 2.56Å; K302-D317 PolarHBondContact NZ-OD2 3.44Å; K302-C319 HydrophobicContact CD-CB 4.06Å; K302-C319 WeakPolarHBondContact CE-SG 3.01Å; K302-C319 HydrophobicContact CG-CB 3.54Å; K302-C320 WeakPolarHBondContact CA-O 3.33Å; K302-S334 PolarHBondContact NZ-OG 2.92Å
303	E	75.5	Confident	65.8	Low	92 Å²	92	90 Å²	90	43%	0.43	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.3	-179.3	-75.7	177.8	175.9	0	0	108.1	Q301 C320	Q301-E303 WeakPolarHBondContact O-CG 3.47Å; Q301-E303 PolarHBondContact O-N 3.04Å; E303-C320 HydrophobicContact CB-CB 4.43Å; E303-C320 PolarHBondContact N-O 2.79Å; E303-C320 PolarHBondContact O-N 2.79Å
304	C	81.6	Confident	67.3	Low	77 Å²	77	92.9 Å²	92.9	52%	0.52	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.8	179.9	-60.1	0	0	0	0	110.9	C319	C304-C319 HydrophobicContact CB-CB 4.02Å; C304-C319 WeakPolarHBondContact CB-SG 3.24Å; C304-C319 WeakPolarHBondContact SG-CB 3.37Å; C304-C319 CovalentContact SG-SG 2.03Å; C304-C319 PolarHBondContact SG-SG 3.33Å
305	G	76	Confident	69.2	Low	83 Å²	83	82.3 Å²	82.3	86%	0.856	48%	0.478	S	S	*	.	S	Bend	trans	97	5	171	0	0	0	0	0	116.2
306	S	80.8	Confident	71.2	Confident	56 Å²	56	82.7 Å²	82.7	39%	0.392	47%	0.471	S	S	.	.	S	Bend	trans	-125.2	152.5	170.4	54.1	0	0	0	0	110.8	C308 C320	S306-C308 PolarHBondContact O-N 3.45Å; S306-C320 PolarHBondContact O-SG 2.72Å
307	P	82.3	Confident	72.8	Confident	126 Å²	126	83.1 Å²	83.1	82%	0.818	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-63.3	133.2	172.8	27.4	-33.7	0	0	0	110.1
308	C	82.7	Confident	74.8	Confident	33 Å²	33	78.5 Å²	78.5	22%	0.223	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-66.5	143	-177.6	-55.5	0	0	0	0	111.6	S306 Q312 T314 C320	S306-C308 PolarHBondContact O-N 3.45Å; C308-Q312 HydrophobicContact CB-CB 4.18Å; C308-T314 PolarHBondContact SG-OG1 3.38Å; C308-T314 VanDerWaalsContact SG-OG1 3.37Å; C308-C320 WeakPolarHBondContact CA-SG 3.5Å; C308-C320 HydrophobicContact CB-CB 3.8Å; C308-C320 WeakPolarHBondContact CB-SG 3.12Å; C308-C320 PolarHBondContact N-SG 2.87Å; C308-C320 VanDerWaalsContact N-SG 3.44Å; C308-C320 WeakPolarHBondContact SG-CA 3.38Å; C308-C320 WeakPolarHBondContact SG-CB 3.08Å; C308-C320 CovalentContact SG-SG 2.04Å; C308-C320 PolarHBondContact SG-SG 3.44Å
309	R	80.7	Confident	76.8	Confident	177 Å²	177	74.7 Å²	74.7	67%	0.668	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-68.7	156.6	172.4	-62.4	-179.5	-177.1	175.7	3.9	109	N311 Q312	R309-N311 PolarHBondContact O-N 2.95Å; R309-Q312 HydrophobicContact CB-CG 4.3Å; R309-Q312 WeakPolarHBondContact O-CB 3.37Å; R309-Q312 PolarHBondContact O-N 3.3Å
310	P	71.2	Confident	78.9	Confident	74 Å²	74	69.6 Å²	69.6	48%	0.481	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.1	-178.1	-17.9	28.6	0	0	0	115.5	P74 R75	P74-P310 HydrophobicContact CG-CB 3.35Å; P74-P310 HydrophobicContact CG-CG 3.84Å; R75-P310 PolarHBondContact NH2-O 2.86Å
311	N	72.1	Confident	80.3	Confident	85 Å²	85	66.4 Å²	66.4	46%	0.455	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	5.3	174.9	-68.3	-26.2	0	0	0	113.4	R75 R309	R75-N311 WeakPolarHBondContact CD-OD1 3.17Å; R75-N311 PolarHBondContact NE-OD1 2.02Å; R309-N311 PolarHBondContact O-N 2.95Å
312	Q	83.7	Confident	81.4	Confident	41 Å²	41	62.6 Å²	62.6	19%	0.192	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147	177.6	-71.6	172.9	-39.2	0	0	110.3	C308 R309 C320 L321	C308-Q312 HydrophobicContact CB-CB 4.18Å; R309-Q312 HydrophobicContact CB-CG 4.3Å; R309-Q312 WeakPolarHBondContact O-CB 3.37Å; R309-Q312 PolarHBondContact O-N 3.3Å; Q312-C320 HydrophobicContact CB-CB 4.3Å; Q312-L321 CarbonylContact C-O 3.57Å; Q312-L321 WeakPolarHBondContact CA-O 3.45Å; Q312-L321 VanDerWaalsContact CB-O 3.31Å; Q312-L321 WeakPolarHBondContact CB-O 3.26Å
313	L	85.3	Confident	82.1	Confident	31 Å²	31	61.8 Å²	61.8	16%	0.162	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.4	166.4	176.8	72.9	0	0	0	108.8	C320 L321 E326 D338	L313-C320 CarbonylContact O-C 3.45Å; L313-C320 WeakPolarHBondContact O-CA 3.3Å; L313-L321 HydrophobicContact CB-CB 4.36Å; L313-L321 HydrophobicContact CD2-CD2 4.27Å; L313-L321 PolarHBondContact N-O 3.08Å; L313-L321 PolarHBondContact O-N 3.46Å; L313-E326 HydrophobicContact CD2-CB 4.22Å; L313-E326 HydrophobicContact CD2-CG 3.98Å; L313-D338 HydrophobicContact CD2-CB 3.84Å
314	T	86.9	Confident	82.5	Confident	84 Å²	84	58.3 Å²	58.3	52%	0.515	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	113	169.5	-49.7	0	0	0	0	108.4	C308 C319	C308-T314 PolarHBondContact SG-OG1 3.38Å; C308-T314 VanDerWaalsContact SG-OG1 3.37Å; T314-C319 WeakPolarHBondContact CA-O 3.49Å
315	C	86.4	Confident	82.7	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.02	34%	0.337	C	S	.	.			trans	-63.7	157.4	169.5	-55.3	0	0	0	0	110.1	D317 G318 C319 C333	C315-D317 WeakPolarHBondContact CB-OD1 3.38Å; C315-D317 PolarHBondContact O-N 2.74Å; C315-G318 PolarHBondContact O-N 3.46Å; C315-C319 PolarHBondContact N-O 2.75Å; C315-C333 HydrophobicContact CB-CB 3.74Å; C315-C333 WeakPolarHBondContact CB-SG 3.37Å; C315-C333 WeakPolarHBondContact SG-CB 3.34Å; C315-C333 CovalentContact SG-SG 2.04Å; C315-C333 PolarHBondContact SG-SG 3.08Å
316	D	84.1	Confident	83.3	Confident	126 Å²	126	53.3 Å²	53.3	67%	0.674	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.6	-179.8	-55.8	-38.9	0	0	0	111.7	G318 D335 S337	D316-G318 PolarHBondContact O-N 2.96Å; D316-D335 WeakPolarHBondContact CA-OD2 3.12Å; D316-D335 WeakPolarHBondContact CB-OD2 3.49Å; D316-D335 PolarHBondContact N-OD2 3.5Å; D316-S337 VanDerWaalsContact CG-OG 3.31Å; D316-S337 WeakPolarHBondContact OD2-CB 3.31Å; D316-S337 PolarHBondContact OD2-OG 3.32Å
317	D	81.5	Confident	83.8	Confident	64 Å²	64	51.2 Å²	51.2	34%	0.342	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	1.2	170.2	68.3	14	0	0	0	114.7	K302 C315 C319 S334 D335	K302-D317 VanDerWaalsContact CE-OD2 3.25Å; K302-D317 WeakPolarHBondContact CE-OD2 3.38Å; K302-D317 IonicContact NZ-OD1 3.75Å; K302-D317 IonicContact NZ-OD2 2.56Å; K302-D317 PolarHBondContact NZ-OD2 3.44Å; C315-D317 WeakPolarHBondContact CB-OD1 3.38Å; C315-D317 PolarHBondContact O-N 2.74Å; D317-C319 WeakPolarHBondContact OD1-CB 3.5Å; D317-C319 PolarHBondContact OD1-N 3.43Å; D317-C319 PolarHBondContact OD1-SG 3.49Å; D317-S334 WeakPolarHBondContact OD2-CB 3.47Å; D317-D335 PolarHBondContact N-OD2 3.37Å; D317-D335 VanDerWaalsContact N-OD2 3.08Å
318	G	83.1	Confident	84	Confident	40 Å²	40	48.2 Å²	48.2	41%	0.412	26%	0.263	S	S	.	.	S	Bend	trans	83.2	14.1	174.1	0	0	0	0	0	114.6	C315 D316	C315-G318 PolarHBondContact O-N 3.46Å; D316-G318 PolarHBondContact O-N 2.96Å
319	C	88.5	Confident	84.1	Confident	7 Å²	7	49.6 Å²	49.6	5%	0.047	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	157.4	176.2	-56.2	0	0	0	0	112.7	K302 C304 T314 C315 D317	K302-C319 HydrophobicContact CD-CB 4.06Å; K302-C319 WeakPolarHBondContact CE-SG 3.01Å; K302-C319 HydrophobicContact CG-CB 3.54Å; C304-C319 HydrophobicContact CB-CB 4.02Å; C304-C319 WeakPolarHBondContact CB-SG 3.24Å; C304-C319 WeakPolarHBondContact SG-CB 3.37Å; C304-C319 CovalentContact SG-SG 2.03Å; C304-C319 PolarHBondContact SG-SG 3.33Å; T314-C319 WeakPolarHBondContact CA-O 3.49Å; C315-C319 PolarHBondContact N-O 2.75Å; D317-C319 WeakPolarHBondContact OD1-CB 3.5Å; D317-C319 PolarHBondContact OD1-N 3.43Å; D317-C319 PolarHBondContact OD1-SG 3.49Å
320	C	88.3	Confident	84.4	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.1	-175.4	-50	0	0	0	0	110.8	K302 E303 S306 C308 Q312 L313	K302-C320 WeakPolarHBondContact CA-O 3.33Å; E303-C320 HydrophobicContact CB-CB 4.43Å; E303-C320 PolarHBondContact N-O 2.79Å; E303-C320 PolarHBondContact O-N 2.79Å; S306-C320 PolarHBondContact O-SG 2.72Å; C308-C320 WeakPolarHBondContact CA-SG 3.5Å; C308-C320 HydrophobicContact CB-CB 3.8Å; C308-C320 WeakPolarHBondContact CB-SG 3.12Å; C308-C320 PolarHBondContact N-SG 2.87Å; C308-C320 VanDerWaalsContact N-SG 3.44Å; C308-C320 WeakPolarHBondContact SG-CA 3.38Å; C308-C320 WeakPolarHBondContact SG-CB 3.08Å; C308-C320 CovalentContact SG-SG 2.04Å; C308-C320 PolarHBondContact SG-SG 3.44Å; Q312-C320 HydrophobicContact CB-CB 4.3Å; L313-C320 CarbonylContact O-C 3.45Å; L313-C320 WeakPolarHBondContact O-CA 3.3Å
321	L	86.3	Confident	85.3	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.9	179.2	-174	68.6	0	0	0	109.8	Q312 L313 R323 L325 Q332 D338	Q312-L321 CarbonylContact C-O 3.57Å; Q312-L321 WeakPolarHBondContact CA-O 3.45Å; Q312-L321 VanDerWaalsContact CB-O 3.31Å; Q312-L321 WeakPolarHBondContact CB-O 3.26Å; L313-L321 HydrophobicContact CB-CB 4.36Å; L313-L321 HydrophobicContact CD2-CD2 4.27Å; L313-L321 PolarHBondContact N-O 3.08Å; L313-L321 PolarHBondContact O-N 3.46Å; L321-R323 PolarHBondContact O-N 2.6Å; L321-L325 HydrophobicContact CD1-CB 4.24Å; L321-L325 HydrophobicContact CD1-CD1 3.63Å; L321-L325 HydrophobicContact CD2-CB 4.1Å; L321-L325 HydrophobicContact CG-CB 4.1Å; L321-L325 HydrophobicContact CG-CD1 4.25Å; L321-Q332 HydrophobicContact CD1-CB 3.63Å; L321-Q332 HydrophobicContact CD1-CG 4.26Å; L321-Q332 HydrophobicContact CD2-CB 4.03Å; L321-D338 HydrophobicContact CD2-CB 3.7Å
322	D	83.4	Confident	86	Confident	61 Å²	61	44.8 Å²	44.8	33%	0.326	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.1	171.8	-166.2	-63.9	0	0	0	109.9	A324 L325	D322-A324 PolarHBondContact O-N 3.08Å; D322-A324 VanDerWaalsContact O-N 3.08Å; D322-A324 WeakPolarHBondContact OD1-CB 3.21Å; D322-A324 PolarHBondContact OD1-N 2.77Å; D322-L325 HydrophobicContact CB-CD1 4.34Å; D322-L325 HydrophobicContact CB-CG 4.49Å; D322-L325 WeakPolarHBondContact O-CB 3.36Å; D322-L325 PolarHBondContact O-N 2.82Å
323	R	84.1	Confident	86.2	Confident	33 Å²	33	43 Å²	43	13%	0.125	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.8	-178	-144	175.1	-163	173.1	11.7	113.1	L55 D73 L269 L321 L325 E326	L55-R323 PolarHBondContact O-NH2 2.98Å; D73-R323 IonicContact OD2-NH1 3.47Å; D73-R323 PolarHBondContact OD2-NH1 2.73Å; L269-R323 HydrophobicContact CD2-CG 4.46Å; L321-R323 PolarHBondContact O-N 2.6Å; R323-L325 PolarHBondContact O-N 3.28Å; R323-E326 HydrophobicContact CG-CB 4.49Å; R323-E326 WeakPolarHBondContact CG-OE2 3.47Å; R323-E326 IonicContact NE-OE2 3.94Å; R323-E326 PolarHBondContact NE-OE2 3.04Å; R323-E326 WeakPolarHBondContact O-CB 3.27Å; R323-E326 PolarHBondContact O-N 3.25Å
324	A	83.4	Confident	86.2	Confident	19 Å²	19	46.4 Å²	46.4	16%	0.157	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19	171.6	0	0	0	0	0	113.2	K240 N271 D322	K240-A324 PolarHBondContact NZ-O 3.35Å; N271-A324 HydrophobicContact CB-CB 4Å; D322-A324 PolarHBondContact O-N 3.08Å; D322-A324 VanDerWaalsContact O-N 3.08Å; D322-A324 WeakPolarHBondContact OD1-CB 3.21Å; D322-A324 PolarHBondContact OD1-N 2.77Å
325	L	85.6	Confident	86.2	Confident	37 Å²	37	44.7 Å²	44.7	19%	0.194	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-18.7	178.6	-57.4	172.6	0	0	0	112.7	P300 L321 D322 R323 C327 D328 Q332	P300-L325 HydrophobicContact CB-CD1 3.47Å; P300-L325 VanDerWaalsContact CB-CD1 3.47Å; P300-L325 HydrophobicContact CG-CD1 4.35Å; L321-L325 HydrophobicContact CD1-CB 4.24Å; L321-L325 HydrophobicContact CD1-CD1 3.63Å; L321-L325 HydrophobicContact CD2-CB 4.1Å; L321-L325 HydrophobicContact CG-CB 4.1Å; L321-L325 HydrophobicContact CG-CD1 4.25Å; D322-L325 HydrophobicContact CB-CD1 4.34Å; D322-L325 HydrophobicContact CB-CG 4.49Å; D322-L325 WeakPolarHBondContact O-CB 3.36Å; D322-L325 PolarHBondContact O-N 2.82Å; R323-L325 PolarHBondContact O-N 3.28Å; L325-C327 PolarHBondContact O-N 2.96Å; L325-D328 WeakPolarHBondContact O-CB 3.44Å; L325-D328 PolarHBondContact O-N 2.79Å; L325-Q332 PolarHBondContact O-OE1 2.81Å
326	E	89.4	Confident	86.2	Confident	18 Å²	18	45 Å²	45	8%	0.084	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	126.2	177.1	-175	-177.9	178.4	0	0	111.9	K240 L269 L313 R323	K240-E326 PolarHBondContact NZ-O 2.74Å; L269-E326 HydrophobicContact CD1-CB 4.45Å; L269-E326 HydrophobicContact CD1-CG 3.89Å; L313-E326 HydrophobicContact CD2-CB 4.22Å; L313-E326 HydrophobicContact CD2-CG 3.98Å; R323-E326 HydrophobicContact CG-CB 4.49Å; R323-E326 WeakPolarHBondContact CG-OE2 3.47Å; R323-E326 IonicContact NE-OE2 3.94Å; R323-E326 PolarHBondContact NE-OE2 3.04Å; R323-E326 WeakPolarHBondContact O-CB 3.27Å; R323-E326 PolarHBondContact O-N 3.25Å
327	C	90.4	Very high	86.4	Confident	12 Å²	12	39.5 Å²	39.5	8%	0.081	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	42.5	-177.4	-54.2	0	0	0	0	114	K240 P243 L269 L325 D338 E339 C342	K240-C327 WeakPolarHBondContact CE-O 3.38Å; P243-C327 HydrophobicContact CB-CB 4.05Å; P243-C327 HydrophobicContact CG-CB 3.69Å; L269-C327 HydrophobicContact CD1-CB 3.86Å; L269-C327 WeakPolarHBondContact CD1-SG 3.33Å; L325-C327 PolarHBondContact O-N 2.96Å; C327-D338 PolarHBondContact N-O 3.47Å; C327-E339 VanDerWaalsContact C-OE1 3.29Å; C327-E339 WeakPolarHBondContact CA-OE1 3.39Å; C327-E339 WeakPolarHBondContact CA-OE2 3.42Å; C327-E339 PolarHBondContact N-OE1 3.27Å; C327-E339 VanDerWaalsContact N-OE1 3.12Å; C327-C342 WeakPolarHBondContact CA-SG 3.47Å; C327-C342 HydrophobicContact CB-CB 3.83Å; C327-C342 WeakPolarHBondContact CB-SG 3.5Å; C327-C342 WeakPolarHBondContact SG-CA 3.48Å; C327-C342 WeakPolarHBondContact SG-CB 3.39Å; C327-C342 CovalentContact SG-SG 2.01Å; C327-C342 PolarHBondContact SG-SG 3.19Å
328	D	86.6	Confident	86.7	Confident	63 Å²	63	36.5 Å²	36.5	34%	0.337	23%	0.233	S	C	.	.	S	Bend	trans	-98.4	-2.6	172.2	79.7	0.8	0	0	0	113.8	L325 V330 Q332 E339	L325-D328 WeakPolarHBondContact O-CB 3.44Å; L325-D328 PolarHBondContact O-N 2.79Å; D328-V330 WeakPolarHBondContact OD1-CB 3.21Å; D328-V330 PolarHBondContact OD1-N 3.45Å; D328-Q332 VanDerWaalsContact CG-NE2 3.33Å; D328-Q332 PolarHBondContact OD1-NE2 2.96Å; D328-Q332 PolarHBondContact OD2-NE2 3.33Å; D328-Q332 VanDerWaalsContact OD2-NE2 3.08Å; D328-E339 PolarHBondContact N-OE1 3.09Å
329	G	85.9	Confident	87.1	Confident	62 Å²	62	36.7 Å²	36.7	64%	0.639	22%	0.223	S	C	*	.	S	Bend	trans	86	6.7	178.1	0	0	0	0	0	113.9	E339	G329-E339 VanDerWaalsContact N-CD 3.3Å; G329-E339 PolarHBondContact N-OE1 3.34Å; G329-E339 PolarHBondContact N-OE2 2.72Å
330	V	86.9	Confident	87.1	Confident	87 Å²	87	41.7 Å²	41.7	53%	0.527	24%	0.244	S	C	.	.	S	Bend	trans	-119	131.9	173.7	177.9	0	0	0	0	108.8	D328 Q332	D328-V330 WeakPolarHBondContact OD1-CB 3.21Å; D328-V330 PolarHBondContact OD1-N 3.45Å; V330-Q332 PolarHBondContact O-N 2.91Å; V330-Q332 PolarHBondContact O-NE2 3.28Å; V330-Q332 PolarHBondContact O-OE1 2.83Å; V330-Q332 VanDerWaalsContact O-OE1 3.13Å
331	N	89.2	Confident	87	Confident	112 Å²	112	45.5 Å²	45.5	60%	0.599	26%	0.264	S	S	*	.			trans	-79.2	106	175.5	-62	-17.2	0	0	0	109.7	E339	N331-E339 WeakPolarHBondContact OD1-CG 2.88Å
332	Q	87.6	Confident	87.1	Confident	37 Å²	37	46 Å²	46	17%	0.173	27%	0.268	C	S	.	.			trans	-93.5	-33.8	168.1	-56.3	90.7	25.4	0	0	112.1	L321 L325 D328 V330 D338	L321-Q332 HydrophobicContact CD1-CB 3.63Å; L321-Q332 HydrophobicContact CD1-CG 4.26Å; L321-Q332 HydrophobicContact CD2-CB 4.03Å; L325-Q332 PolarHBondContact O-OE1 2.81Å; D328-Q332 VanDerWaalsContact CG-NE2 3.33Å; D328-Q332 PolarHBondContact OD1-NE2 2.96Å; D328-Q332 PolarHBondContact OD2-NE2 3.33Å; D328-Q332 VanDerWaalsContact OD2-NE2 3.08Å; V330-Q332 PolarHBondContact O-N 2.91Å; V330-Q332 PolarHBondContact O-NE2 3.28Å; V330-Q332 PolarHBondContact O-OE1 2.83Å; V330-Q332 VanDerWaalsContact O-OE1 3.13Å; Q332-D338 WeakPolarHBondContact CA-OD2 3.08Å; Q332-D338 PolarHBondContact N-OD2 2.73Å; Q332-D338 PolarHBondContact OE1-OD2 3.46Å
333	C	86.4	Confident	87.4	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.027	28%	0.278	C	S	.	.	S	Bend	trans	-69.5	140.5	168.8	-62.1	0	0	0	0	109.9	C315 D335 G336 D338	C315-C333 HydrophobicContact CB-CB 3.74Å; C315-C333 WeakPolarHBondContact CB-SG 3.37Å; C315-C333 WeakPolarHBondContact SG-CB 3.34Å; C315-C333 CovalentContact SG-SG 2.04Å; C315-C333 PolarHBondContact SG-SG 3.08Å; C333-D335 WeakPolarHBondContact CB-OD1 2.98Å; C333-D335 PolarHBondContact O-N 2.01Å; C333-G336 PolarHBondContact O-N 2.95Å; C333-D338 HydrophobicContact CB-CB 4.36Å; C333-D338 WeakPolarHBondContact CB-OD1 3.31Å; C333-D338 PolarHBondContact N-OD2 2.76Å
334	S	86.3	Confident	87.6	Confident	102 Å²	102	48.6 Å²	48.6	71%	0.713	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.9	-176.2	-63.2	0	0	0	0	112.8	K302 D317	K302-S334 PolarHBondContact NZ-OG 2.92Å; D317-S334 WeakPolarHBondContact OD2-CB 3.47Å
335	D	85.8	Confident	87.9	Confident	47 Å²	47	48.3 Å²	48.3	25%	0.251	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.3	173.6	57.2	10.3	0	0	0	113.5	D316 D317 C333 S337 K340	D316-D335 WeakPolarHBondContact CA-OD2 3.12Å; D316-D335 WeakPolarHBondContact CB-OD2 3.49Å; D316-D335 PolarHBondContact N-OD2 3.5Å; D317-D335 PolarHBondContact N-OD2 3.37Å; D317-D335 VanDerWaalsContact N-OD2 3.08Å; C333-D335 WeakPolarHBondContact CB-OD1 2.98Å; C333-D335 PolarHBondContact O-N 2.01Å; D335-S337 VanDerWaalsContact C-N 3.27Å; D335-S337 PolarHBondContact O-N 3.3Å; D335-S337 WeakPolarHBondContact OD1-CB 3.24Å; D335-S337 PolarHBondContact OD1-N 3.34Å; D335-S337 PolarHBondContact OD1-OG 3.18Å; D335-S337 PolarHBondContact OD2-OG 3.22Å; D335-K340 VanDerWaalsContact O-CE 3.27Å; D335-K340 WeakPolarHBondContact O-CE 3.3Å; D335-K340 PolarHBondContact O-NZ 2.82Å
336	G	86.3	Confident	88.2	Confident	10 Å²	10	47 Å²	47	10%	0.103	28%	0.277	C	S	.	.			trans	65.1	22.4	-174.3	0	0	0	0	0	114.7	C333 D338 E339	C333-G336 PolarHBondContact O-N 2.95Å; G336-D338 VanDerWaalsContact C-N 3.26Å; G336-D338 VanDerWaalsContact CA-OD1 3.3Å; G336-D338 WeakPolarHBondContact CA-OD1 3.19Å; G336-D338 PolarHBondContact O-N 2.78Å; G336-E339 PolarHBondContact O-N 3.41Å
337	S	88.6	Confident	88.2	Confident	10 Å²	10	54.6 Å²	54.6	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-71.7	-19.8	-174.9	-68.5	0	0	0	0	114.3	D316 D335 E339 K340	D316-S337 VanDerWaalsContact CG-OG 3.31Å; D316-S337 WeakPolarHBondContact OD2-CB 3.31Å; D316-S337 PolarHBondContact OD2-OG 3.32Å; D335-S337 VanDerWaalsContact C-N 3.27Å; D335-S337 PolarHBondContact O-N 3.3Å; D335-S337 WeakPolarHBondContact OD1-CB 3.24Å; D335-S337 PolarHBondContact OD1-N 3.34Å; D335-S337 PolarHBondContact OD1-OG 3.18Å; D335-S337 PolarHBondContact OD2-OG 3.22Å; S337-E339 PolarHBondContact O-N 3.36Å; S337-K340 PolarHBondContact O-N 3.32Å; S337-K340 PolarHBondContact OG-NZ 2.89Å
338	D	89.1	Confident	88.2	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-22.5	167.2	49.1	-18.1	0	0	0	114.9	L313 L321 C327 Q332 C333 G336	L313-D338 HydrophobicContact CD2-CB 3.84Å; L321-D338 HydrophobicContact CD2-CB 3.7Å; C327-D338 PolarHBondContact N-O 3.47Å; Q332-D338 WeakPolarHBondContact CA-OD2 3.08Å; Q332-D338 PolarHBondContact N-OD2 2.73Å; Q332-D338 PolarHBondContact OE1-OD2 3.46Å; C333-D338 HydrophobicContact CB-CB 4.36Å; C333-D338 WeakPolarHBondContact CB-OD1 3.31Å; C333-D338 PolarHBondContact N-OD2 2.76Å; G336-D338 VanDerWaalsContact C-N 3.26Å; G336-D338 VanDerWaalsContact CA-OD1 3.3Å; G336-D338 WeakPolarHBondContact CA-OD1 3.19Å; G336-D338 PolarHBondContact O-N 2.78Å
339	E	90.6	Very high	88.5	Confident	45 Å²	45	51.4 Å²	51.4	21%	0.21	29%	0.287	C	S	.	.	H	α-helix	trans	-111.6	-7.9	-178.5	-66	-62	143.2	0	0	113.7	C327 D328 G329 N331 G336 S337 C342	C327-E339 VanDerWaalsContact C-OE1 3.29Å; C327-E339 WeakPolarHBondContact CA-OE1 3.39Å; C327-E339 WeakPolarHBondContact CA-OE2 3.42Å; C327-E339 PolarHBondContact N-OE1 3.27Å; C327-E339 VanDerWaalsContact N-OE1 3.12Å; D328-E339 PolarHBondContact N-OE1 3.09Å; G329-E339 VanDerWaalsContact N-CD 3.3Å; G329-E339 PolarHBondContact N-OE1 3.34Å; G329-E339 PolarHBondContact N-OE2 2.72Å; N331-E339 WeakPolarHBondContact OD1-CG 2.88Å; G336-E339 PolarHBondContact O-N 3.41Å; S337-E339 PolarHBondContact O-N 3.36Å; E339-C342 VanDerWaalsContact C-SG 3.57Å; E339-C342 PolarHBondContact O-SG 3.48Å
340	K	89.4	Confident	88.8	Confident	112 Å²	112	51.5 Å²	51.5	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-74	-41.7	-173.7	-78.7	174.7	-162.9	150.1	0	113.8	D335 S337	D335-K340 VanDerWaalsContact O-CE 3.27Å; D335-K340 WeakPolarHBondContact O-CE 3.3Å; D335-K340 PolarHBondContact O-NZ 2.82Å; S337-K340 PolarHBondContact O-N 3.32Å; S337-K340 PolarHBondContact OG-NZ 2.89Å
341	L	85.8	Confident	88.9	Confident	80 Å²	80	50.7 Å²	50.7	42%	0.419	26%	0.26	S	S	.	.	S	Bend	trans	-87.2	-5.5	-170.4	-78.4	90.1	0	0	0	114.3	S343 K344 L345	L341-S343 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 2.85Å; L341-K344 WeakPolarHBondContact O-CB 3.42Å; L341-K344 PolarHBondContact O-N 2.8Å; L341-K344 VanDerWaalsContact O-N 3.12Å; L341-L345 PolarHBondContact O-N 3.13Å; L341-L345 VanDerWaalsContact O-N 3.16Å
342	C	88.4	Confident	88.9	Confident	14 Å²	14	45.5 Å²	45.5	10%	0.095	23%	0.233	C	C	.	.	H	α-helix	trans	-55.8	-41.7	-175.7	-50.8	0	0	0	0	113.6	P243 C327 E339 L345 S346	P243-C342 HydrophobicContact CB-CB 3.79Å; P243-C342 HydrophobicContact CG-CB 4.26Å; C327-C342 WeakPolarHBondContact CA-SG 3.47Å; C327-C342 HydrophobicContact CB-CB 3.83Å; C327-C342 WeakPolarHBondContact CB-SG 3.5Å; C327-C342 WeakPolarHBondContact SG-CA 3.48Å; C327-C342 WeakPolarHBondContact SG-CB 3.39Å; C327-C342 CovalentContact SG-SG 2.01Å; C327-C342 PolarHBondContact SG-SG 3.19Å; E339-C342 VanDerWaalsContact C-SG 3.57Å; E339-C342 PolarHBondContact O-SG 3.48Å; C342-L345 PolarHBondContact O-N 2.67Å; C342-S346 PolarHBondContact O-N 3Å
343	S	89.4	Confident	89	Confident	78 Å²	78	46.3 Å²	46.3	55%	0.545	24%	0.238	S	C	.	.	H	α-helix	trans	-69.3	-34.7	-178.6	67.3	0	0	0	0	113	L341 R347	L341-S343 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 2.85Å; S343-R347 WeakPolarHBondContact O-CB 3.46Å; S343-R347 PolarHBondContact O-N 2.9Å; S343-R347 VanDerWaalsContact O-N 3.08Å
344	K	88.3	Confident	89	Confident	71 Å²	71	50.3 Å²	50.3	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-48.4	176	-173.5	-171.4	179.6	-161.4	0	109.6	T57 L341 S346 R347 T348	T57-K344 PolarHBondContact O-NZ 2.91Å; L341-K344 WeakPolarHBondContact O-CB 3.42Å; L341-K344 PolarHBondContact O-N 2.8Å; L341-K344 VanDerWaalsContact O-N 3.12Å; K344-S346 PolarHBondContact O-N 2.95Å; K344-R347 PolarHBondContact O-N 2.83Å; K344-T348 PolarHBondContact O-N 2.9Å; K344-T348 PolarHBondContact O-OG1 2.99Å
345	L	89.4	Confident	88.8	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-47.3	178	-168.1	67.4	0	0	0	111.7	L54 C268 L269 L341 C342 R347 T348 F349	L54-L345 HydrophobicContact CD1-CD1 4.37Å; L54-L345 HydrophobicContact CD2-CD1 3.57Å; L54-L345 HydrophobicContact CD2-CG 3.9Å; L54-L345 HydrophobicContact CG-CD1 3.81Å; C268-L345 HydrophobicContact CB-CD2 3.99Å; C268-L345 HydrophobicContact CB-CG 4.45Å; L269-L345 HydrophobicContact CD1-CD2 3.63Å; L269-L345 HydrophobicContact CD2-CD2 4.43Å; L269-L345 HydrophobicContact CG-CD2 3.73Å; L341-L345 PolarHBondContact O-N 3.13Å; L341-L345 VanDerWaalsContact O-N 3.16Å; C342-L345 PolarHBondContact O-N 2.67Å; L345-R347 VanDerWaalsContact C-N 3.35Å; L345-R347 PolarHBondContact O-N 2.96Å; L345-T348 PolarHBondContact O-N 3.1Å; L345-F349 WeakPolarHBondContact O-CB 3.45Å; L345-F349 PolarHBondContact O-N 3.13Å
346	S	91.8	Very high	88.1	Confident	11 Å²	11	50.5 Å²	50.5	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-41.2	177.2	175.4	0	0	0	0	112.7	P243 C342 K344 F349 N350	P243-S346 WeakPolarHBondContact O-CB 3.24Å; P243-S346 PolarHBondContact O-OG 3.31Å; C342-S346 PolarHBondContact O-N 3Å; K344-S346 PolarHBondContact O-N 2.95Å; S346-F349 PolarHBondContact O-N 3.25Å; S346-N350 WeakPolarHBondContact O-CB 3.39Å; S346-N350 PolarHBondContact O-N 3.43Å; S346-N350 PolarHBondContact O-ND2 3.42Å; S346-N350 VanDerWaalsContact O-ND2 3.11Å
347	R	90.9	Very high	87.2	Confident	177 Å²	177	51.1 Å²	51.1	67%	0.668	26%	0.261	S	S	*	.	H	α-helix	trans	-64.4	-46	178.9	-170.2	-173.2	-56.2	150.4	5.3	111.5	S343 K344 L345 F349 N350 R351	S343-R347 WeakPolarHBondContact O-CB 3.46Å; S343-R347 PolarHBondContact O-N 2.9Å; S343-R347 VanDerWaalsContact O-N 3.08Å; K344-R347 PolarHBondContact O-N 2.83Å; L345-R347 VanDerWaalsContact C-N 3.35Å; L345-R347 PolarHBondContact O-N 2.96Å; R347-F349 VanDerWaalsContact C-N 3.35Å; R347-N350 PolarHBondContact O-N 2.04Å; R347-R351 PolarHBondContact O-N 2.96Å; R347-R351 VanDerWaalsContact O-N 3.07Å
348	T	90.2	Very high	86.4	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.043	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-46.2	177.4	-60.3	0	0	0	0	111.1	T57 T93 V95 K344 L345 N350 R351 L352	T57-T348 HydrophobicContact CG2-CG2 3.89Å; T57-T348 WeakPolarHBondContact CG2-OG1 3.38Å; T93-T348 HydrophobicContact CG2-CG2 4.35Å; V95-T348 HydrophobicContact CG1-CG2 4.19Å; V95-T348 HydrophobicContact CG2-CG2 3.59Å; K344-T348 PolarHBondContact O-N 2.9Å; K344-T348 PolarHBondContact O-OG1 2.99Å; L345-T348 PolarHBondContact O-N 3.1Å; T348-N350 PolarHBondContact O-N 3.44Å; T348-R351 WeakPolarHBondContact O-CB 3.04Å; T348-R351 PolarHBondContact O-N 2.7Å; T348-R351 VanDerWaalsContact O-N 3.14Å; T348-L352 PolarHBondContact O-N 2.82Å
349	F	92.2	Very high	85.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-42.6	178.3	-169.2	-119.7	0	0	0	112.3	A44 V48 L54 C244 A246 F248 L345 S346 R347 R351 L352 L353	A44-F349 HydrophobicContact CB-CE2 4.14Å; V48-F349 HydrophobicContact CB-CZ 4.36Å; V48-F349 HydrophobicContact CG1-CZ 4.38Å; V48-F349 HydrophobicContact CG2-CE2 3.83Å; V48-F349 HydrophobicContact CG2-CZ 3.95Å; L54-F349 HydrophobicContact CD2-CB 3.82Å; L54-F349 HydrophobicContact CD2-CD2 3.86Å; L54-F349 HydrophobicContact CD2-CG 4.09Å; C244-F349 HydrophobicContact CB-CD1 3.69Å; C244-F349 HydrophobicContact CB-CE1 4.23Å; C244-F349 HydrophobicContact CB-CG 4.46Å; A246-F349 HydrophobicContact CB-CE1 3.8Å; F248-F349 AromaticContact CE2-CE1 3.89Å; F248-F349 HydrophobicContact CE2-CE1 3.89Å; F248-F349 AromaticContact CE2-CZ 3.76Å; F248-F349 HydrophobicContact CE2-CZ 3.76Å; F248-F349 HydrophobicContact CZ-CE1 4.45Å; F248-F349 HydrophobicContact CZ-CZ 4.01Å; L345-F349 WeakPolarHBondContact O-CB 3.45Å; L345-F349 PolarHBondContact O-N 3.13Å; S346-F349 PolarHBondContact O-N 3.25Å; R347-F349 VanDerWaalsContact C-N 3.35Å; F349-R351 VanDerWaalsContact C-N 3.27Å; F349-R351 PolarHBondContact O-N 2.65Å; F349-L352 PolarHBondContact O-N 3.14Å; F349-L352 VanDerWaalsContact O-N 3.13Å; F349-L353 HydrophobicContact CD1-CD1 3.82Å; F349-L353 HydrophobicContact CD1-CG 4.37Å; F349-L353 HydrophobicContact CE1-CD1 3.63Å; F349-L353 HydrophobicContact CE1-CD2 4.32Å; F349-L353 HydrophobicContact CE1-CG 4.15Å; F349-L353 HydrophobicContact CE2-CD2 4.45Å; F349-L353 HydrophobicContact CZ-CD1 4.18Å; F349-L353 HydrophobicContact CZ-CD2 4.02Å; F349-L353 HydrophobicContact CZ-CG 4.24Å; F349-L353 WeakPolarHBondContact O-CG 3.39Å; F349-L353 PolarHBondContact O-N 3.33Å
350	N	91.8	Very high	84.2	Confident	64 Å²	64	60.5 Å²	60.5	34%	0.342	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-35.5	175.4	-70	-29.1	0	0	0	112.6	S346 R347 T348 L353 S354	S346-N350 WeakPolarHBondContact O-CB 3.39Å; S346-N350 PolarHBondContact O-N 3.43Å; S346-N350 PolarHBondContact O-ND2 3.42Å; S346-N350 VanDerWaalsContact O-ND2 3.11Å; R347-N350 PolarHBondContact O-N 2.04Å; T348-N350 PolarHBondContact O-N 3.44Å; N350-L353 PolarHBondContact O-N 3.44Å; N350-S354 PolarHBondContact O-N 3.25Å
351	R	89.7	Confident	83.2	Confident	71 Å²	71	58.6 Å²	58.6	27%	0.268	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-43.9	173.8	178.9	171	54.5	-159.7	-20.7	111.3	E82 D85 R347 T348 F349 L353 S354	E82-R351 VanDerWaalsContact CD-NE 3.34Å; E82-R351 IonicContact OE1-CZ 3.81Å; E82-R351 IonicContact OE1-NE 3.31Å; E82-R351 PolarHBondContact OE1-NE 3.22Å; E82-R351 IonicContact OE1-NH2 3.88Å; E82-R351 PolarHBondContact OE1-NH2 3.11Å; E82-R351 IonicContact OE2-CZ 2.74Å; E82-R351 IonicContact OE2-NE 3.99Å; E82-R351 PolarHBondContact OE2-NE 2.92Å; E82-R351 IonicContact OE2-NH1 3.65Å; E82-R351 PolarHBondContact OE2-NH1 2.78Å; E82-R351 IonicContact OE2-NH2 3.64Å; E82-R351 PolarHBondContact OE2-NH2 3.44Å; D85-R351 IonicContact OD1-NH1 3.78Å; D85-R351 IonicContact OD2-NH1 3.4Å; D85-R351 PolarHBondContact OD2-NH1 2.74Å; R347-R351 PolarHBondContact O-N 2.96Å; R347-R351 VanDerWaalsContact O-N 3.07Å; T348-R351 WeakPolarHBondContact O-CB 3.04Å; T348-R351 PolarHBondContact O-N 2.7Å; T348-R351 VanDerWaalsContact O-N 3.14Å; F349-R351 VanDerWaalsContact C-N 3.27Å; F349-R351 PolarHBondContact O-N 2.65Å; R351-L353 VanDerWaalsContact C-N 3.3Å; R351-L353 PolarHBondContact O-N 3.06Å; R351-S354 WeakPolarHBondContact O-CB 3.37Å; R351-S354 PolarHBondContact O-N 3.03Å; R351-S354 PolarHBondContact O-OG 3.4Å
352	L	89.6	Confident	82.6	Confident	3 Å²	3	55 Å²	55	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-36.5	177.1	-66.5	177.2	0	0	0	112.5	V41 A44 L80 V95 F97 Y115 T348 F349 S354 V355	V41-L352 HydrophobicContact CG2-CD2 4.39Å; A44-L352 HydrophobicContact CB-CB 3.68Å; A44-L352 HydrophobicContact CB-CD1 4.47Å; L80-L352 HydrophobicContact CD2-CD2 3.74Å; V95-L352 HydrophobicContact CG1-CD1 4.04Å; F97-L352 HydrophobicContact CE2-CD1 3.69Å; F97-L352 HydrophobicContact CZ-CD1 3.78Å; Y115-L352 HydrophobicContact CE1-CD2 4.24Å; T348-L352 PolarHBondContact O-N 2.82Å; F349-L352 PolarHBondContact O-N 3.14Å; F349-L352 VanDerWaalsContact O-N 3.13Å; L352-S354 PolarHBondContact O-N 3.22Å; L352-V355 WeakPolarHBondContact O-CB 3.46Å; L352-V355 WeakPolarHBondContact O-CG2 3.3Å; L352-V355 PolarHBondContact O-N 3Å
353	L	89.5	Confident	82.5	Confident	54 Å²	54	57.1 Å²	57.1	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-69.4	-20.6	174.1	-64.9	173.1	0	0	0	113.7	A44 K45 A246 F349 N350 R351 V355	A44-L353 HydrophobicContact CB-CD2 4.4Å; K45-L353 HydrophobicContact CB-CD2 3.8Å; A246-L353 HydrophobicContact CB-CD1 3.71Å; F349-L353 HydrophobicContact CD1-CD1 3.82Å; F349-L353 HydrophobicContact CD1-CG 4.37Å; F349-L353 HydrophobicContact CE1-CD1 3.63Å; F349-L353 HydrophobicContact CE1-CD2 4.32Å; F349-L353 HydrophobicContact CE1-CG 4.15Å; F349-L353 HydrophobicContact CE2-CD2 4.45Å; F349-L353 HydrophobicContact CZ-CD1 4.18Å; F349-L353 HydrophobicContact CZ-CD2 4.02Å; F349-L353 HydrophobicContact CZ-CG 4.24Å; F349-L353 WeakPolarHBondContact O-CG 3.39Å; F349-L353 PolarHBondContact O-N 3.33Å; N350-L353 PolarHBondContact O-N 3.44Å; R351-L353 VanDerWaalsContact C-N 3.3Å; R351-L353 PolarHBondContact O-N 3.06Å; L353-V355 VanDerWaalsContact C-N 3.31Å
354	S	85.3	Confident	82.5	Confident	88 Å²	88	53.4 Å²	53.4	62%	0.615	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.9	178.5	73.5	0	0	0	0	113.6	N350 R351 L352 N356	N350-S354 PolarHBondContact O-N 3.25Å; R351-S354 WeakPolarHBondContact O-CB 3.37Å; R351-S354 PolarHBondContact O-N 3.03Å; R351-S354 PolarHBondContact O-OG 3.4Å; L352-S354 PolarHBondContact O-N 3.22Å; S354-N356 PolarHBondContact O-N 3.12Å
355	V	82.3	Confident	82.5	Confident	15 Å²	15	51.1 Å²	51.1	9%	0.091	26%	0.264	C	S	.	.	S	Bend	trans	-59.2	121.2	171.5	172.1	0	0	0	0	108	V41 V110 Q112 L352 L353 V357	V41-V355 HydrophobicContact CG1-CG1 3.67Å; V41-V355 HydrophobicContact CG1-CG2 4.43Å; V41-V355 HydrophobicContact CG2-CG2 4.42Å; V110-V355 HydrophobicContact CG2-CG1 4.25Å; Q112-V355 HydrophobicContact CG-CG1 4.27Å; L352-V355 WeakPolarHBondContact O-CB 3.46Å; L352-V355 WeakPolarHBondContact O-CG2 3.3Å; L352-V355 PolarHBondContact O-N 3Å; L353-V355 VanDerWaalsContact C-N 3.31Å; V355-V357 HydrophobicContact CG1-CG2 4.26Å; V355-V357 PolarHBondContact O-N 3.32Å
356	N	71.6	Confident	82.4	Confident	138 Å²	138	51.7 Å²	51.7	74%	0.738	27%	0.266	S	S	*	.			trans	-72.9	96.7	178	-171.6	-22.6	0	0	0	108.8	S354	S354-N356 PolarHBondContact O-N 3.12Å
357	V	68.2	Low	82.2	Confident	23 Å²	23	52 Å²	52	14%	0.139	27%	0.268	C	S	.	.			trans	-86.8	120	169	-176.1	0	0	0	0	107.3	D43 V110 V355 D359 A362	D43-V357 HydrophobicContact CB-CG2 4.32Å; V110-V357 HydrophobicContact CB-CG1 4.41Å; V110-V357 HydrophobicContact CG1-CB 4.4Å; V110-V357 HydrophobicContact CG1-CG1 3.54Å; V110-V357 HydrophobicContact CG1-CG2 4.16Å; V110-V357 HydrophobicContact CG2-CG2 3.99Å; V355-V357 HydrophobicContact CG1-CG2 4.26Å; V355-V357 PolarHBondContact O-N 3.32Å; V357-D359 PolarHBondContact O-N 3.14Å; V357-D359 VanDerWaalsContact O-N 3.11Å; V357-A362 HydrophobicContact CG1-CB 4Å
358	S	71.2	Confident	82.2	Confident	44 Å²	44	44.1 Å²	44.1	31%	0.308	24%	0.24	S	C	.	.			trans	-71.2	106.5	160.4	59.8	0	0	0	0	107.2	L360 Q361 A362	S358-L360 PolarHBondContact O-N 3.24Å; S358-Q361 PolarHBondContact O-N 2.96Å; S358-Q361 WeakPolarHBondContact OG-CB 3.29Å; S358-Q361 WeakPolarHBondContact OG-CG 3.16Å; S358-Q361 PolarHBondContact OG-OE1 2.9Å; S358-A362 PolarHBondContact O-N 2.78Å
359	D	66.9	Low	82.2	Confident	113 Å²	113	45.6 Å²	45.6	60%	0.604	25%	0.245	S	C	*	.	H	α-helix	trans	-47.3	-35.3	179.5	-62.7	-28.3	0	0	0	111.9	V357 Q361 A362 Q363	V357-D359 PolarHBondContact O-N 3.14Å; V357-D359 VanDerWaalsContact O-N 3.11Å; D359-Q361 PolarHBondContact O-N 3.39Å; D359-A362 PolarHBondContact O-N 2.84Å; D359-Q363 WeakPolarHBondContact O-CB 3.3Å; D359-Q363 PolarHBondContact O-N 2.66Å
360	L	66	Low	82.1	Confident	95 Å²	95	48.6 Å²	48.6	50%	0.497	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-41.2	175.6	-135.2	83.7	0	0	0	113.6	S358 C364 T413	S358-L360 PolarHBondContact O-N 3.24Å; L360-C364 PolarHBondContact O-N 2.92Å; L360-C364 PolarHBondContact O-SG 3.22Å; L360-T413 HydrophobicContact CD1-CG2 3.89Å; L360-T413 WeakPolarHBondContact CD2-O 3.39Å; L360-T413 HydrophobicContact CG-CG2 4.02Å; L360-T413 WeakPolarHBondContact CG-O 3.45Å
361	Q	69.3	Low	82	Confident	72 Å²	72	45.6 Å²	45.6	34%	0.336	25%	0.247	S	C	.	.	H	α-helix	trans	-72.5	-37.3	179.4	-71.6	178.6	7.8	0	0	111.6	S358 D359 V365 I417	S358-Q361 PolarHBondContact O-N 2.96Å; S358-Q361 WeakPolarHBondContact OG-CB 3.29Å; S358-Q361 WeakPolarHBondContact OG-CG 3.16Å; S358-Q361 PolarHBondContact OG-OE1 2.9Å; D359-Q361 PolarHBondContact O-N 3.39Å; Q361-V365 WeakPolarHBondContact O-CG1 3.46Å; Q361-V365 WeakPolarHBondContact O-CG2 3.03Å; Q361-I417 HydrophobicContact CB-CD1 4.05Å; Q361-I417 HydrophobicContact CG-CD1 3.47Å; Q361-I417 VanDerWaalsContact CG-CD1 3.47Å
362	A	72.8	Confident	81.9	Confident	5 Å²	5	43.9 Å²	43.9	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-67	-40.1	178.8	0	0	0	0	0	111.2	V110 V357 S358 D359 V365	V110-A362 HydrophobicContact CG1-CB 4.35Å; V357-A362 HydrophobicContact CG1-CB 4Å; S358-A362 PolarHBondContact O-N 2.78Å; D359-A362 PolarHBondContact O-N 2.84Å; A362-V365 WeakPolarHBondContact O-CG2 3.25Å
363	Q	86.3	Confident	82	Confident	58 Å²	58	46.3 Å²	46.3	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-49.4	177.8	-168.6	176.5	3.4	0	0	112.4	D359 V365 G401 N402 F404	D359-Q363 WeakPolarHBondContact O-CB 3.3Å; D359-Q363 PolarHBondContact O-N 2.66Å; Q363-V365 VanDerWaalsContact C-N 3.31Å; Q363-V365 PolarHBondContact O-N 3.29Å; Q363-G401 VanDerWaalsContact CD-O 3.3Å; Q363-G401 WeakPolarHBondContact CG-O 3.39Å; Q363-G401 PolarHBondContact NE2-O 2.77Å; Q363-N402 WeakPolarHBondContact O-CB 3.35Å; Q363-N402 PolarHBondContact O-N 3.14Å; Q363-F404 HydrophobicContact CG-CZ 4.41Å
364	C	89.7	Confident	82	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-79.4	-7.5	-169.9	-61	0	0	0	0	115	L360 Y382 P384 N402 C414 I417	L360-C364 PolarHBondContact O-N 2.92Å; L360-C364 PolarHBondContact O-SG 3.22Å; C364-Y382 HydrophobicContact CB-CD1 4.03Å; C364-P384 WeakPolarHBondContact O-CG 3.37Å; C364-N402 PolarHBondContact O-ND2 2.93Å; C364-C414 HydrophobicContact CB-CB 3.7Å; C364-C414 WeakPolarHBondContact CB-SG 3.39Å; C364-C414 WeakPolarHBondContact SG-CA 3.44Å; C364-C414 WeakPolarHBondContact SG-CB 3.38Å; C364-C414 CovalentContact SG-SG 2.03Å; C364-C414 PolarHBondContact SG-SG 2.98Å; C364-I417 HydrophobicContact CB-CB 4.38Å; C364-I417 HydrophobicContact CB-CG1 3.94Å; C364-I417 HydrophobicContact CB-CG2 4.13Å
365	V	87.9	Confident	82.3	Confident	23 Å²	23	46.5 Å²	46.5	14%	0.139	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.4	-178.4	-59	0	0	0	0	113.3	Q361 A362 Q363 P384 I417 N421 F428	Q361-V365 WeakPolarHBondContact O-CG1 3.46Å; Q361-V365 WeakPolarHBondContact O-CG2 3.03Å; A362-V365 WeakPolarHBondContact O-CG2 3.25Å; Q363-V365 VanDerWaalsContact C-N 3.31Å; Q363-V365 PolarHBondContact O-N 3.29Å; V365-P384 HydrophobicContact CG1-CG 4.16Å; V365-I417 HydrophobicContact CG1-CG2 3.84Å; V365-N421 HydrophobicContact CG1-CB 4.1Å; V365-F428 VanDerWaalsContact O-CE2 3.27Å; V365-F428 WeakPolarHBondContact O-CE2 2.95Å; V365-F428 VanDerWaalsContact O-CZ 3.26Å; V365-F428 WeakPolarHBondContact O-CZ 3.43Å
366	E	86.9	Confident	82.8	Confident	24 Å²	24	52 Å²	52	11%	0.112	28%	0.279	C	S	.	.	S	Bend	trans	-85.7	144.6	171.6	-62.4	-165.9	95	0	0	111.7	R108 G401 N402 F428	R108-E366 IonicContact CZ-OE1 3.47Å; R108-E366 IonicContact CZ-OE2 2.71Å; R108-E366 IonicContact NE-OE1 3.68Å; R108-E366 PolarHBondContact NE-OE1 2.02Å; R108-E366 IonicContact NE-OE2 3.17Å; R108-E366 IonicContact NH2-OE1 3.63Å; E366-G401 PolarHBondContact OE2-N 3.39Å; E366-G401 VanDerWaalsContact OE2-N 3.12Å; E366-N402 HydrophobicContact CB-CB 4.19Å; E366-N402 WeakPolarHBondContact O-CB 3.02Å; E366-N402 PolarHBondContact O-ND2 3.42Å; E366-F428 WeakPolarHBondContact O-CZ 3.38Å
367	P	88.5	Confident	84	Confident	18 Å²	18	50.3 Å²	50.3	12%	0.117	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.6	158.7	171.2	30.8	-36.4	0	0	0	110.8	R369 N400 M427 F431	P367-R369 PolarHBondContact O-N 2.97Å; P367-N400 PolarHBondContact O-ND2 2.94Å; P367-M427 HydrophobicContact CB-CG 4.06Å; P367-M427 VanDerWaalsContact CD-CE 3.41Å; P367-M427 VanDerWaalsContact CD-SD 3.54Å; P367-M427 HydrophobicContact CG-CE 3.45Å; P367-M427 VanDerWaalsContact CG-CE 3.45Å; P367-M427 HydrophobicContact CG-CG 3.65Å; P367-M427 HydrophobicContact CG-SD 3.91Å; P367-F431 HydrophobicContact CB-CD2 4.04Å; P367-F431 HydrophobicContact CB-CE2 3.54Å; P367-F431 HydrophobicContact CB-CZ 4.31Å
368	P	90.3	Very high	85.2	Confident	12 Å²	12	54.2 Å²	54.2	8%	0.078	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.3	139.4	176	26.9	-33.3	0	0	0	110.6	Y381 F392 F431	P368-Y381 HydrophobicContact CB-CD1 3.66Å; P368-Y381 HydrophobicContact CB-CD2 4.06Å; P368-Y381 HydrophobicContact CB-CE1 4.02Å; P368-Y381 HydrophobicContact CB-CE2 4.41Å; P368-Y381 HydrophobicContact CB-CG 3.67Å; P368-Y381 HydrophobicContact CG-CD1 3.95Å; P368-Y381 HydrophobicContact CG-CD2 3.97Å; P368-Y381 HydrophobicContact CG-CE1 3.79Å; P368-Y381 HydrophobicContact CG-CE2 3.84Å; P368-Y381 HydrophobicContact CG-CG 4.02Å; P368-F392 HydrophobicContact CB-CB 4.19Å; P368-F392 HydrophobicContact CB-CD1 4.14Å; P368-F392 HydrophobicContact CB-CD2 3.76Å; P368-F392 HydrophobicContact CB-CE1 4.44Å; P368-F392 HydrophobicContact CB-CE2 4.12Å; P368-F392 HydrophobicContact CB-CG 3.77Å; P368-F392 HydrophobicContact CB-CZ 4.44Å; P368-F431 HydrophobicContact CG-CB 4.25Å; P368-F431 HydrophobicContact CG-CD1 3.85Å; P368-F431 HydrophobicContact CG-CD2 4.23Å; P368-F431 HydrophobicContact CG-CE1 4.19Å; P368-F431 HydrophobicContact CG-CG 3.86Å
369	R	89.9	Confident	86.4	Confident	38 Å²	38	53.7 Å²	53.7	14%	0.143	27%	0.273	C	S	.	.			trans	-119.7	108.1	179.7	-171.9	169.3	-175.7	-142.4	-6.7	111.6	R104 E159 P367 G371 F392 Y394 D398 N400	R104-R369 VanDerWaalsContact NH1-CZ 3.26Å; R104-R369 VanDerWaalsContact NH1-NH2 3.12Å; E159-R369 IonicContact OE1-NE 2.67Å; E159-R369 IonicContact OE1-NH2 3.22Å; P367-R369 PolarHBondContact O-N 2.97Å; R369-G371 VanDerWaalsContact C-N 3.33Å; R369-F392 WeakPolarHBondContact O-CE2 3.43Å; R369-Y394 WeakPolarHBondContact O-CD2 3.46Å; R369-D398 VanDerWaalsContact CD-O 3.28Å; R369-D398 WeakPolarHBondContact CD-O 3.09Å; R369-D398 PolarHBondContact NE-O 3.15Å; R369-D398 PolarHBondContact NH1-O 3.08Å; R369-D398 VanDerWaalsContact NH1-O 3.1Å; R369-D398 IonicContact NH2-OD2 3.6Å; R369-D398 PolarHBondContact NH2-OD2 2.02Å; R369-N400 HydrophobicContact CB-CB 4.34Å
370	T	89.6	Confident	87.8	Confident	63 Å²	63	50.5 Å²	50.5	39%	0.387	25%	0.252	S	S	.	.			trans	-64.6	-38.9	174.4	-55.2	0	0	0	0	111.6	I393 G395	T370-I393 WeakPolarHBondContact CG2-O 3.39Å; T370-I393 PolarHBondContact OG1-O 2.86Å; T370-G395 VanDerWaalsContact O-CA 3.27Å; T370-G395 WeakPolarHBondContact O-CA 3.25Å; T370-G395 PolarHBondContact O-N 2.03Å
371	G	90	Very high	89.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.			trans	75.7	173.4	-173.7	0	0	0	0	0	113.1	E159 R369	E159-G371 WeakPolarHBondContact OE1-CA 3.38Å; R369-G371 VanDerWaalsContact C-N 3.33Å
372	P	88.1	Confident	90.3	Very high	36 Å²	36	43.7 Å²	43.7	23%	0.234	22%	0.217	C	C	.	.	S	Bend	trans	-83.4	-9.4	-173.8	32.2	-35	0	0	0	114	N156 D398	N156-P372 PolarHBondContact ND2-O 3.47Å; P372-D398 WeakPolarHBondContact CD-OD2 3.11Å
373	C	91.7	Very high	91.2	Very high	54 Å²	54	43.6 Å²	43.6	37%	0.365	22%	0.215	S	C	.	.			trans	-79.1	159.8	178.8	-68.8	0	0	0	0	112.2	G395 C397	C373-G395 CarbonylContact C-O 3.55Å; C373-G395 WeakPolarHBondContact CB-O 3.05Å; C373-G395 WeakPolarHBondContact O-CA 3.35Å; C373-C397 HydrophobicContact CB-CB 3.91Å; C373-C397 WeakPolarHBondContact CB-SG 2.98Å; C373-C397 PolarHBondContact N-SG 2.87Å; C373-C397 VanDerWaalsContact N-SG 3.43Å; C373-C397 WeakPolarHBondContact SG-CB 3.22Å; C373-C397 CovalentContact SG-SG 2.02Å; C373-C397 PolarHBondContact SG-SG 3.15Å
374	R	89.3	Confident	91.4	Very high	104 Å²	104	40.8 Å²	40.8	39%	0.392	20%	0.203	S	C	.	.			trans	-112.1	13.2	-169.5	-59.3	-175.8	-178.2	-95	-6.6	114.3	H189 D191 G395	H189-R374 PolarHBondContact CD2-NE 2.96Å; H189-R374 PolarHBondContact ND1-NH1 3.28Å; H189-R374 PolarHBondContact NE2-NE 2.92Å; D191-R374 IonicContact OD1-CZ 3.96Å; D191-R374 IonicContact OD1-NH1 2.7Å; D191-R374 PolarHBondContact OD1-NH1 2.93Å; D191-R374 IonicContact OD1-NH2 3.49Å; D191-R374 PolarHBondContact OD1-NH2 3.3Å; D191-R374 IonicContact OD2-CZ 3.87Å; D191-R374 IonicContact OD2-NH1 3.05Å; D191-R374 PolarHBondContact OD2-NH1 3.01Å; D191-R374 IonicContact OD2-NH2 3.41Å; D191-R374 PolarHBondContact OD2-NH2 2.93Å; R374-G395 PolarHBondContact N-O 3.35Å
375	A	92.7	Very high	91.3	Very high	41 Å²	41	43.9 Å²	43.9	34%	0.339	22%	0.216	S	C	.	.			trans	-67.6	164.7	168.5	0	0	0	0	0	109.6	F377 G395	A375-F377 HydrophobicContact CB-CD2 3.7Å; A375-F377 HydrophobicContact CB-CE2 3.25Å; A375-F377 HydrophobicContact CB-CZ 3.86Å; A375-G395 WeakPolarHBondContact CA-O 3.16Å; A375-G395 WeakPolarHBondContact CB-O 3.03Å; A375-G395 PolarHBondContact N-O 3.22Å; A375-G395 WeakPolarHBondContact O-CA 3.33Å
376	H	93.1	Very high	91.3	Very high	132 Å²	132	45.1 Å²	45.1	61%	0.611	22%	0.222	S	C	*	.			trans	-127	65.9	-173.2	-158.5	-82.6	0	0	0	110	I393	H376-I393 HydrophobicContact CB-CG2 4.43Å; H376-I393 WeakPolarHBondContact CE1-CD1 3.41Å
377	F	94.9	Very high	91.4	Very high	102 Å²	102	52.4 Å²	52.4	45%	0.447	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.2	179.8	-60.2	-65.8	0	0	0	110.2	A375 R379 I393 Y394	A375-F377 HydrophobicContact CB-CD2 3.7Å; A375-F377 HydrophobicContact CB-CE2 3.25Å; A375-F377 HydrophobicContact CB-CZ 3.86Å; F377-R379 HydrophobicContact CB-CG 4.4Å; F377-R379 PolarHBondContact O-N 2.94Å; F377-I393 CarbonylContact O-C 3.57Å; F377-I393 WeakPolarHBondContact O-CA 3.47Å; F377-Y394 HydrophobicContact CB-CD1 4.44Å; F377-Y394 HydrophobicContact CD2-CD1 4.15Å; F377-Y394 PolarHBondContact N-O 2.68Å; F377-Y394 PolarHBondContact O-N 3.33Å
378	H	94.9	Very high	91.6	Very high	105 Å²	105	56.7 Å²	56.7	49%	0.486	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	122.2	169.4	-69.6	-65.4	0	0	0	109	R391 I393	H378-R391 VanDerWaalsContact CG-NH2 3.28Å; H378-R391 PolarHBondContact ND1-NH2 3.12Å; H378-R391 VanDerWaalsContact ND1-NH2 3.16Å; H378-I393 VanDerWaalsContact CE1-CD1 3.42Å; H378-I393 WeakPolarHBondContact CE1-CD1 3.3Å; H378-I393 WeakPolarHBondContact ND1-CD1 3.37Å
379	R	96	Very high	91.8	Very high	33 Å²	33	56.5 Å²	56.5	13%	0.125	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	166.9	179	-67.1	-67.5	-178	78.7	-13.3	110.1	F377 R391 F392 Y394 E399 N403 F404 E405	F377-R379 HydrophobicContact CB-CG 4.4Å; F377-R379 PolarHBondContact O-N 2.94Å; R379-R391 CarbonylContact O-C 3.55Å; R379-R391 VanDerWaalsContact O-CA 3.31Å; R379-R391 WeakPolarHBondContact O-CA 3.44Å; R379-F392 HydrophobicContact CB-CD1 4Å; R379-F392 HydrophobicContact CB-CE1 3.46Å; R379-F392 VanDerWaalsContact CB-CE1 3.46Å; R379-F392 HydrophobicContact CB-CZ 3.88Å; R379-F392 PolarHBondContact N-O 3.13Å; R379-F392 WeakPolarHBondContact O-CD1 3.43Å; R379-F392 PolarHBondContact O-N 2.86Å; R379-Y394 HydrophobicContact CG-CD1 4.45Å; R379-Y394 HydrophobicContact CG-CG 4.41Å; R379-E399 IonicContact NH1-OE2 3.43Å; R379-N403 VanDerWaalsContact CB-OD1 3.25Å; R379-N403 WeakPolarHBondContact CB-OD1 3.25Å; R379-N403 VanDerWaalsContact CD-OD1 3.29Å; R379-N403 WeakPolarHBondContact CD-OD1 3.35Å; R379-N403 WeakPolarHBondContact CG-OD1 3.5Å; R379-N403 PolarHBondContact NH1-ND2 2.83Å; R379-N403 PolarHBondContact NH1-OD1 2.67Å; R379-F404 CarbonylContact C-O 3.5Å; R379-F404 WeakPolarHBondContact CA-O 3.07Å; R379-F404 WeakPolarHBondContact CD-O 3.45Å; R379-E405 IonicContact CZ-OE1 2.7Å; R379-E405 IonicContact NE-OE1 2.9Å; R379-E405 IonicContact NH2-OE1 2.96Å; R379-E405 PolarHBondContact NH2-OE1 3.36Å
380	W	95.3	Very high	91.9	Very high	46 Å²	46	55.9 Å²	55.9	17%	0.174	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	144.1	179.1	-62.1	86.4	0	0	0	109.9	C389 L390 R391 F404 E405 E407 C410	W380-C389 HydrophobicContact CE3-CB 4.09Å; W380-L390 CarbonylContact C-O 3.51Å; W380-L390 WeakPolarHBondContact CA-O 3.31Å; W380-R391 HydrophobicContact CD2-CG 3.64Å; W380-R391 HydrophobicContact CE3-CG 3.56Å; W380-R391 HydrophobicContact CH2-CG 3.47Å; W380-R391 VanDerWaalsContact CH2-CG 3.47Å; W380-R391 HydrophobicContact CZ2-CG 3.51Å; W380-R391 HydrophobicContact CZ3-CG 3.49Å; W380-R391 VanDerWaalsContact CZ3-CG 3.49Å; W380-F404 HydrophobicContact CB-CB 4.21Å; W380-F404 PolarHBondContact N-O 3.32Å; W380-F404 PolarHBondContact O-N 2.92Å; W380-E405 VanDerWaalsContact CD1-O 3.26Å; W380-E407 HydrophobicContact CD2-CB 3.74Å; W380-E407 HydrophobicContact CD2-CG 4.22Å; W380-E407 HydrophobicContact CE3-CB 3.82Å; W380-E407 HydrophobicContact CE3-CG 3.75Å; W380-E407 HydrophobicContact CG-CB 4.41Å; W380-E407 HydrophobicContact CH2-CB 3.74Å; W380-E407 VanDerWaalsContact CH2-CD 3.42Å; W380-E407 HydrophobicContact CH2-CG 3.78Å; W380-E407 WeakPolarHBondContact CH2-OE2 3.39Å; W380-E407 HydrophobicContact CZ2-CB 3.69Å; W380-E407 HydrophobicContact CZ2-CG 4.28Å; W380-E407 HydrophobicContact CZ3-CB 3.81Å; W380-E407 VanDerWaalsContact CZ3-CD 3.41Å; W380-E407 HydrophobicContact CZ3-CG 3.5Å; W380-C410 HydrophobicContact CB-CB 4.2Å
381	Y	94.5	Very high	92.1	Very high	9 Å²	9	59.6 Å²	59.6	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.5	170.2	78.2	-81.7	0	0	0	109.1	P368 N383 C389 L390 F392 N402 F431	P368-Y381 HydrophobicContact CB-CD1 3.66Å; P368-Y381 HydrophobicContact CB-CD2 4.06Å; P368-Y381 HydrophobicContact CB-CE1 4.02Å; P368-Y381 HydrophobicContact CB-CE2 4.41Å; P368-Y381 HydrophobicContact CB-CG 3.67Å; P368-Y381 HydrophobicContact CG-CD1 3.95Å; P368-Y381 HydrophobicContact CG-CD2 3.97Å; P368-Y381 HydrophobicContact CG-CE1 3.79Å; P368-Y381 HydrophobicContact CG-CE2 3.84Å; P368-Y381 HydrophobicContact CG-CG 4.02Å; Y381-N383 HydrophobicContact CE2-CB 4.05Å; Y381-C389 CarbonylContact O-C 3.59Å; Y381-C389 VanDerWaalsContact O-CA 3.31Å; Y381-C389 WeakPolarHBondContact O-CA 3.19Å; Y381-L390 HydrophobicContact CD1-CB 4.14Å; Y381-L390 WeakPolarHBondContact CD1-O 3.43Å; Y381-L390 HydrophobicContact CE1-CB 3.53Å; Y381-L390 PolarHBondContact N-O 3.22Å; Y381-L390 PolarHBondContact O-N 3.14Å; Y381-L390 WeakPolarHBondContact OH-CD1 3.22Å; Y381-F392 HydrophobicContact CD1-CB 4.08Å; Y381-F392 AromaticContact CD1-CD1 3.74Å; Y381-F392 HydrophobicContact CD1-CD1 3.74Å; Y381-F392 HydrophobicContact CD1-CG 4.15Å; Y381-F392 HydrophobicContact CE1-CB 4.25Å; Y381-F392 HydrophobicContact CG-CD1 4.36Å; Y381-N402 WeakPolarHBondContact CA-OD1 3.06Å; Y381-N402 VanDerWaalsContact CB-O 3.24Å; Y381-N402 WeakPolarHBondContact CB-O 3.38Å; Y381-F431 PolarHBondContact OH-O 3.12Å
382	Y	93.5	Very high	92.2	Very high	15 Å²	15	60.6 Å²	60.6	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.3	175.8	-174.2	-103	0	0	0	110.8	C364 P384 N402 C414 I417	C364-Y382 HydrophobicContact CB-CD1 4.03Å; Y382-P384 HydrophobicContact CD1-CG 3.98Å; Y382-P384 HydrophobicContact CE1-CB 4.18Å; Y382-P384 HydrophobicContact CE1-CG 4.06Å; Y382-P384 WeakPolarHBondContact O-CD 3.43Å; Y382-N402 PolarHBondContact N-ND2 3.06Å; Y382-N402 PolarHBondContact N-OD1 3.18Å; Y382-N402 PolarHBondContact O-ND2 3.42Å; Y382-C414 WeakPolarHBondContact CB-SG 3.37Å; Y382-C414 HydrophobicContact CD1-CB 3.66Å; Y382-C414 HydrophobicContact CD2-CB 3.47Å; Y382-C414 VanDerWaalsContact CD2-CB 3.47Å; Y382-C414 HydrophobicContact CE1-CB 4.08Å; Y382-C414 HydrophobicContact CE2-CB 3.92Å; Y382-C414 HydrophobicContact CG-CB 3.32Å; Y382-I417 HydrophobicContact CD1-CB 4.36Å; Y382-I417 HydrophobicContact CD1-CG2 4.32Å; Y382-I417 HydrophobicContact CE1-CB 3.65Å; Y382-I417 HydrophobicContact CE1-CG2 3.82Å; Y382-I417 PolarHBondContact OH-O 2.93Å
383	N	91.7	Very high	92.3	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.011	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.4	171.9	-175.3	-11.3	0	0	0	110	Y381 K385 D386 R387 K388 L390 F428	Y381-N383 HydrophobicContact CE2-CB 4.05Å; N383-K385 PolarHBondContact O-N 2.86Å; N383-K385 WeakPolarHBondContact OD1-CB 3.11Å; N383-K385 PolarHBondContact OD1-N 2.88Å; N383-D386 HydrophobicContact CB-CB 4.42Å; N383-D386 PolarHBondContact ND2-OD2 3.32Å; N383-D386 PolarHBondContact O-N 2.9Å; N383-R387 WeakPolarHBondContact O-CA 3.45Å; N383-R387 PolarHBondContact O-N 2.01Å; N383-K388 PolarHBondContact N-O 3.04Å; N383-K388 PolarHBondContact O-N 2.04Å; N383-L390 HydrophobicContact CB-CD1 3.94Å; N383-F428 HydrophobicContact CB-CD1 4.5Å
384	P	90	Very high	92.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.3	-180	-23	33.3	0	0	0	114.9	C364 V365 Y382 I417 E419 F428	C364-P384 WeakPolarHBondContact O-CG 3.37Å; V365-P384 HydrophobicContact CG1-CG 4.16Å; Y382-P384 HydrophobicContact CD1-CG 3.98Å; Y382-P384 HydrophobicContact CE1-CB 4.18Å; Y382-P384 HydrophobicContact CE1-CG 4.06Å; Y382-P384 WeakPolarHBondContact O-CD 3.43Å; P384-I417 HydrophobicContact CB-CG2 4.28Å; P384-I417 HydrophobicContact CG-CG2 4.17Å; P384-E419 PolarHBondContact O-N 3.35Å; P384-F428 HydrophobicContact CG-CE2 4.45Å; P384-F428 HydrophobicContact CG-CZ 4.1Å
385	K	87.6	Confident	92.6	Very high	64 Å²	64	54.3 Å²	54.3	28%	0.278	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-50.1	175.9	-174.3	-170.1	171.8	-177.5	0	110.9	N383 E419 D429	N383-K385 PolarHBondContact O-N 2.86Å; N383-K385 WeakPolarHBondContact OD1-CB 3.11Å; N383-K385 PolarHBondContact OD1-N 2.88Å; K385-E419 HydrophobicContact CB-CG 4.44Å; K385-E419 VanDerWaalsContact CG-OE1 3.31Å; K385-E419 WeakPolarHBondContact CG-OE1 2.95Å; K385-D429 WeakPolarHBondContact CE-OD1 3.02Å; K385-D429 IonicContact NZ-OD1 3.47Å; K385-D429 PolarHBondContact NZ-OD1 3.43Å
386	D	88.1	Confident	92.6	Very high	50 Å²	50	54 Å²	54	27%	0.267	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-13.9	-176.7	-61.9	-21.6	0	0	0	112	N383 K388 S433	N383-D386 HydrophobicContact CB-CB 4.42Å; N383-D386 PolarHBondContact ND2-OD2 3.32Å; N383-D386 PolarHBondContact O-N 2.9Å; D386-K388 VanDerWaalsContact C-N 3.25Å; D386-K388 HydrophobicContact CB-CB 4.37Å; D386-K388 PolarHBondContact O-N 3.37Å; D386-S433 PolarHBondContact OD2-OG 2.97Å; D386-S433 VanDerWaalsContact OD2-OG 3.09Å
387	R	90.6	Very high	92.5	Very high	176 Å²	176	49.1 Å²	49.1	66%	0.664	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	45	-172.2	-66.9	-178.8	-92.4	178.6	-7.1	111.9	N383	N383-R387 WeakPolarHBondContact O-CA 3.45Å; N383-R387 PolarHBondContact O-N 2.01Å
388	K	92	Very high	92.1	Very high	109 Å²	109	47.4 Å²	47.4	47%	0.474	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.6	-175.9	-73.1	179.7	-178.7	-179.1	0	110.7	N383 D386 L390 D435	N383-K388 PolarHBondContact N-O 3.04Å; N383-K388 PolarHBondContact O-N 2.04Å; D386-K388 VanDerWaalsContact C-N 3.25Å; D386-K388 HydrophobicContact CB-CB 4.37Å; D386-K388 PolarHBondContact O-N 3.37Å; K388-L390 HydrophobicContact CB-CD2 4.48Å; K388-D435 IonicContact NZ-OD2 2.94Å
389	C	93.9	Very high	91.8	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.054	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.4	165	-68	0	0	0	0	109.6	W380 Y381 E407 C410 S411	W380-C389 HydrophobicContact CE3-CB 4.09Å; Y381-C389 CarbonylContact O-C 3.59Å; Y381-C389 VanDerWaalsContact O-CA 3.31Å; Y381-C389 WeakPolarHBondContact O-CA 3.19Å; C389-E407 HydrophobicContact CB-CG 4.13Å; C389-C410 HydrophobicContact CB-CB 3.86Å; C389-C410 WeakPolarHBondContact CB-SG 3.42Å; C389-C410 WeakPolarHBondContact SG-CB 3.47Å; C389-C410 CovalentContact SG-SG 2.03Å; C389-C410 PolarHBondContact SG-SG 3.23Å; C389-S411 PolarHBondContact SG-N 3.46Å; C389-S411 PolarHBondContact SG-OG 2.89Å
390	L	92.9	Very high	91.5	Very high	24 Å²	24	46.9 Å²	46.9	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	149.3	-179.3	-62.1	175.9	0	0	0	109.3	W380 Y381 N383 K388	W380-L390 CarbonylContact C-O 3.51Å; W380-L390 WeakPolarHBondContact CA-O 3.31Å; Y381-L390 HydrophobicContact CD1-CB 4.14Å; Y381-L390 WeakPolarHBondContact CD1-O 3.43Å; Y381-L390 HydrophobicContact CE1-CB 3.53Å; Y381-L390 PolarHBondContact N-O 3.22Å; Y381-L390 PolarHBondContact O-N 3.14Å; Y381-L390 WeakPolarHBondContact OH-CD1 3.22Å; N383-L390 HydrophobicContact CB-CD1 3.94Å; K388-L390 HydrophobicContact CB-CD2 4.48Å
391	R	92.8	Very high	91.2	Very high	141 Å²	141	45.9 Å²	45.9	53%	0.532	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	142.8	179	-69.4	177.4	63.4	-168.9	-2.3	110.8	H378 R379 W380	H378-R391 VanDerWaalsContact CG-NH2 3.28Å; H378-R391 PolarHBondContact ND1-NH2 3.12Å; H378-R391 VanDerWaalsContact ND1-NH2 3.16Å; R379-R391 CarbonylContact O-C 3.55Å; R379-R391 VanDerWaalsContact O-CA 3.31Å; R379-R391 WeakPolarHBondContact O-CA 3.44Å; W380-R391 HydrophobicContact CD2-CG 3.64Å; W380-R391 HydrophobicContact CE3-CG 3.56Å; W380-R391 HydrophobicContact CH2-CG 3.47Å; W380-R391 VanDerWaalsContact CH2-CG 3.47Å; W380-R391 HydrophobicContact CZ2-CG 3.51Å; W380-R391 HydrophobicContact CZ3-CG 3.49Å; W380-R391 VanDerWaalsContact CZ3-CG 3.49Å
392	F	92.1	Very high	91.1	Very high	21 Å²	21	45.5 Å²	45.5	9%	0.092	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	172.5	169.4	80	-70.6	0	0	0	110.9	P368 R369 R379 Y381 N403	P368-F392 HydrophobicContact CB-CB 4.19Å; P368-F392 HydrophobicContact CB-CD1 4.14Å; P368-F392 HydrophobicContact CB-CD2 3.76Å; P368-F392 HydrophobicContact CB-CE1 4.44Å; P368-F392 HydrophobicContact CB-CE2 4.12Å; P368-F392 HydrophobicContact CB-CG 3.77Å; P368-F392 HydrophobicContact CB-CZ 4.44Å; R369-F392 WeakPolarHBondContact O-CE2 3.43Å; R379-F392 HydrophobicContact CB-CD1 4Å; R379-F392 HydrophobicContact CB-CE1 3.46Å; R379-F392 VanDerWaalsContact CB-CE1 3.46Å; R379-F392 HydrophobicContact CB-CZ 3.88Å; R379-F392 PolarHBondContact N-O 3.13Å; R379-F392 WeakPolarHBondContact O-CD1 3.43Å; R379-F392 PolarHBondContact O-N 2.86Å; Y381-F392 HydrophobicContact CD1-CB 4.08Å; Y381-F392 AromaticContact CD1-CD1 3.74Å; Y381-F392 HydrophobicContact CD1-CD1 3.74Å; Y381-F392 HydrophobicContact CD1-CG 4.15Å; Y381-F392 HydrophobicContact CE1-CB 4.25Å; Y381-F392 HydrophobicContact CG-CD1 4.36Å; F392-N403 HydrophobicContact CZ-CB 4.16Å
393	I	91.1	Very high	91.2	Very high	48 Å²	48	45.6 Å²	45.6	25%	0.246	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120	175.2	-57.1	-53.6	0	0	0	109	T370 H376 F377 H378	T370-I393 WeakPolarHBondContact CG2-O 3.39Å; T370-I393 PolarHBondContact OG1-O 2.86Å; H376-I393 HydrophobicContact CB-CG2 4.43Å; H376-I393 WeakPolarHBondContact CE1-CD1 3.41Å; F377-I393 CarbonylContact O-C 3.57Å; F377-I393 WeakPolarHBondContact O-CA 3.47Å; H378-I393 VanDerWaalsContact CE1-CD1 3.42Å; H378-I393 WeakPolarHBondContact CE1-CD1 3.3Å; H378-I393 WeakPolarHBondContact ND1-CD1 3.37Å
394	Y	94.4	Very high	91.3	Very high	13 Å²	13	46 Å²	46	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.9	171.3	176.6	-124.9	0	0	0	110.7	R369 F377 R379 G396 C397 E399 N403	R369-Y394 WeakPolarHBondContact O-CD2 3.46Å; F377-Y394 HydrophobicContact CB-CD1 4.44Å; F377-Y394 HydrophobicContact CD2-CD1 4.15Å; F377-Y394 PolarHBondContact N-O 2.68Å; F377-Y394 PolarHBondContact O-N 3.33Å; R379-Y394 HydrophobicContact CG-CD1 4.45Å; R379-Y394 HydrophobicContact CG-CG 4.41Å; Y394-G396 VanDerWaalsContact C-N 3.26Å; Y394-G396 PolarHBondContact O-N 2.82Å; Y394-C397 WeakPolarHBondContact CE2-O 3.05Å; Y394-C397 VanDerWaalsContact CZ-N 3.33Å; Y394-C397 WeakPolarHBondContact OH-CA 3.49Å; Y394-C397 PolarHBondContact OH-N 2.82Å; Y394-C397 VanDerWaalsContact OH-N 3.09Å; Y394-C397 PolarHBondContact OH-O 2.62Å; Y394-E399 HydrophobicContact CE1-CB 4.47Å; Y394-E399 HydrophobicContact CE2-CB 3.75Å; Y394-E399 WeakPolarHBondContact OH-CB 3.39Å; Y394-E399 PolarHBondContact OH-N 3.42Å; Y394-E399 VanDerWaalsContact OH-N 3.14Å; Y394-N403 WeakPolarHBondContact CD2-ND2 3.05Å
395	G	92.6	Very high	91.6	Very high	1 Å²	1	52 Å²	52	1%	0.01	25%	0.253	C	S	.	.			trans	-71.7	-14	-177.2	0	0	0	0	0	114.5	T370 C373 R374 A375	T370-G395 VanDerWaalsContact O-CA 3.27Å; T370-G395 WeakPolarHBondContact O-CA 3.25Å; T370-G395 PolarHBondContact O-N 2.03Å; C373-G395 CarbonylContact C-O 3.55Å; C373-G395 WeakPolarHBondContact CB-O 3.05Å; C373-G395 WeakPolarHBondContact O-CA 3.35Å; R374-G395 PolarHBondContact N-O 3.35Å; A375-G395 WeakPolarHBondContact CA-O 3.16Å; A375-G395 WeakPolarHBondContact CB-O 3.03Å; A375-G395 PolarHBondContact N-O 3.22Å; A375-G395 WeakPolarHBondContact O-CA 3.33Å
396	G	92.8	Very high	92	Very high	35 Å²	35	54 Å²	54	36%	0.361	27%	0.266	S	S	.	.	S	Bend	trans	96.9	3.8	177.3	0	0	0	0	0	116	Y394	Y394-G396 VanDerWaalsContact C-N 3.26Å; Y394-G396 PolarHBondContact O-N 2.82Å
397	C	90.8	Very high	92.3	Very high	30 Å²	30	56.4 Å²	56.4	20%	0.203	28%	0.276	C	S	.	.	S	Bend	trans	-148.4	164.2	168.5	67.6	0	0	0	0	111.2	C373 Y394 E399	C373-C397 HydrophobicContact CB-CB 3.91Å; C373-C397 WeakPolarHBondContact CB-SG 2.98Å; C373-C397 PolarHBondContact N-SG 2.87Å; C373-C397 VanDerWaalsContact N-SG 3.43Å; C373-C397 WeakPolarHBondContact SG-CB 3.22Å; C373-C397 CovalentContact SG-SG 2.02Å; C373-C397 PolarHBondContact SG-SG 3.15Å; Y394-C397 WeakPolarHBondContact CE2-O 3.05Å; Y394-C397 VanDerWaalsContact CZ-N 3.33Å; Y394-C397 WeakPolarHBondContact OH-CA 3.49Å; Y394-C397 PolarHBondContact OH-N 2.82Å; Y394-C397 VanDerWaalsContact OH-N 3.09Å; Y394-C397 PolarHBondContact OH-O 2.62Å; C397-E399 PolarHBondContact O-N 3.37Å
398	D	86.5	Confident	92.5	Very high	65 Å²	65	52.9 Å²	52.9	35%	0.348	27%	0.27	S	S	.	.	S	Bend	trans	56	45.9	179.7	-66.3	0.9	0	0	0	113.8	R369 P372	R369-D398 VanDerWaalsContact CD-O 3.28Å; R369-D398 WeakPolarHBondContact CD-O 3.09Å; R369-D398 PolarHBondContact NE-O 3.15Å; R369-D398 PolarHBondContact NH1-O 3.08Å; R369-D398 VanDerWaalsContact NH1-O 3.1Å; R369-D398 IonicContact NH2-OD2 3.6Å; R369-D398 PolarHBondContact NH2-OD2 2.02Å; P372-D398 WeakPolarHBondContact CD-OD2 3.11Å
399	E	89.4	Confident	92.6	Very high	111 Å²	111	51.3 Å²	51.3	52%	0.519	27%	0.267	S	S	.	.			trans	-63.2	155.4	171.7	58.8	-167.4	179.5	0	0	111.4	R379 Y394 C397 N403	R379-E399 IonicContact NH1-OE2 3.43Å; Y394-E399 HydrophobicContact CE1-CB 4.47Å; Y394-E399 HydrophobicContact CE2-CB 3.75Å; Y394-E399 WeakPolarHBondContact OH-CB 3.39Å; Y394-E399 PolarHBondContact OH-N 3.42Å; Y394-E399 VanDerWaalsContact OH-N 3.14Å; C397-E399 PolarHBondContact O-N 3.37Å; E399-N403 HydrophobicContact CB-CB 4.43Å; E399-N403 WeakPolarHBondContact CB-ND2 3.46Å
400	N	88.5	Confident	92.7	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.091	26%	0.264	C	S	.	.			trans	-109.6	-177.4	163.7	65.8	-8.6	0	0	0	109.3	P367 R369 N402	P367-N400 PolarHBondContact O-ND2 2.94Å; R369-N400 HydrophobicContact CB-CB 4.34Å; N400-N402 VanDerWaalsContact C-N 3.3Å; N400-N402 PolarHBondContact O-N 3.36Å
401	G	89.2	Confident	92.7	Very high	25 Å²	25	52.1 Å²	52.1	26%	0.258	28%	0.275	S	S	.	.	S	Bend	trans	-61.6	-38.5	-177	0	0	0	0	0	113	Q363 E366 N403	Q363-G401 VanDerWaalsContact CD-O 3.3Å; Q363-G401 WeakPolarHBondContact CG-O 3.39Å; Q363-G401 PolarHBondContact NE2-O 2.77Å; E366-G401 PolarHBondContact OE2-N 3.39Å; E366-G401 VanDerWaalsContact OE2-N 3.12Å; G401-N403 PolarHBondContact O-N 2.93Å
402	N	92.9	Very high	92.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-79.1	58.3	-176	-153.6	-3.7	0	0	0	113.6	Q363 C364 E366 Y381 Y382 N400 F404	Q363-N402 WeakPolarHBondContact O-CB 3.35Å; Q363-N402 PolarHBondContact O-N 3.14Å; C364-N402 PolarHBondContact O-ND2 2.93Å; E366-N402 HydrophobicContact CB-CB 4.19Å; E366-N402 WeakPolarHBondContact O-CB 3.02Å; E366-N402 PolarHBondContact O-ND2 3.42Å; Y381-N402 WeakPolarHBondContact CA-OD1 3.06Å; Y381-N402 VanDerWaalsContact CB-O 3.24Å; Y381-N402 WeakPolarHBondContact CB-O 3.38Å; Y382-N402 PolarHBondContact N-ND2 3.06Å; Y382-N402 PolarHBondContact N-OD1 3.18Å; Y382-N402 PolarHBondContact O-ND2 3.42Å; N400-N402 VanDerWaalsContact C-N 3.3Å; N400-N402 PolarHBondContact O-N 3.36Å; N402-F404 WeakPolarHBondContact OD1-CE2 3.02Å
403	N	94.5	Very high	92.7	Very high	18 Å²	18	52.1 Å²	52.1	10%	0.096	28%	0.283	C	S	.	.			trans	-143.2	100.8	-176	-175.8	-12.7	0	0	0	110.2	R379 F392 Y394 E399 G401	R379-N403 VanDerWaalsContact CB-OD1 3.25Å; R379-N403 WeakPolarHBondContact CB-OD1 3.25Å; R379-N403 VanDerWaalsContact CD-OD1 3.29Å; R379-N403 WeakPolarHBondContact CD-OD1 3.35Å; R379-N403 WeakPolarHBondContact CG-OD1 3.5Å; R379-N403 PolarHBondContact NH1-ND2 2.83Å; R379-N403 PolarHBondContact NH1-OD1 2.67Å; F392-N403 HydrophobicContact CZ-CB 4.16Å; Y394-N403 WeakPolarHBondContact CD2-ND2 3.05Å; E399-N403 HydrophobicContact CB-CB 4.43Å; E399-N403 WeakPolarHBondContact CB-ND2 3.46Å; G401-N403 PolarHBondContact O-N 2.93Å
404	F	95.4	Very high	92.8	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.039	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-113.3	148.1	-176	-56.4	-86	0	0	0	111	Q363 R379 W380 N402 C410 T413	Q363-F404 HydrophobicContact CG-CZ 4.41Å; R379-F404 CarbonylContact C-O 3.5Å; R379-F404 WeakPolarHBondContact CA-O 3.07Å; R379-F404 WeakPolarHBondContact CD-O 3.45Å; W380-F404 HydrophobicContact CB-CB 4.21Å; W380-F404 PolarHBondContact N-O 3.32Å; W380-F404 PolarHBondContact O-N 2.92Å; N402-F404 WeakPolarHBondContact OD1-CE2 3.02Å; F404-C410 HydrophobicContact CB-CB 3.76Å; F404-C410 HydrophobicContact CD1-CB 4.32Å; F404-C410 HydrophobicContact CD2-CB 3.53Å; F404-C410 HydrophobicContact CE2-CB 4.19Å; F404-C410 HydrophobicContact CG-CB 3.61Å; F404-T413 HydrophobicContact CE1-CG2 3.83Å; F404-T413 HydrophobicContact CZ-CG2 4.01Å
405	E	95.2	Very high	92.6	Very high	128 Å²	128	55.8 Å²	55.8	60%	0.598	30%	0.304	S	S	*	.	S	Bend	trans	-79.1	-33.9	176.4	-55.2	-155.7	138.2	0	0	112	R379 W380	R379-E405 IonicContact CZ-OE1 2.7Å; R379-E405 IonicContact NE-OE1 2.9Å; R379-E405 IonicContact NH2-OE1 2.96Å; R379-E405 PolarHBondContact NH2-OE1 3.36Å; W380-E405 VanDerWaalsContact CD1-O 3.26Å
406	D	95.4	Very high	92.3	Very high	104 Å²	104	58.3 Å²	58.3	56%	0.556	33%	0.33	S	S	*	.	S	Bend	trans	-122.1	143.6	-174.8	-69.2	-60.9	0	0	0	112.8	N408 D409 C410	D406-N408 VanDerWaalsContact C-N 3.33Å; D406-N408 PolarHBondContact O-N 3.46Å; D406-D409 HydrophobicContact CB-CB 4.17Å; D406-D409 PolarHBondContact O-N 3.35Å; D406-C410 PolarHBondContact O-N 3.43Å; D406-C410 VanDerWaalsContact O-N 3.12Å
407	E	95.3	Very high	92.2	Very high	101 Å²	101	57 Å²	57	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-38.6	179.1	-173.4	176.7	-173.5	0	0	112.6	W380 C389 C410 S411	W380-E407 HydrophobicContact CD2-CB 3.74Å; W380-E407 HydrophobicContact CD2-CG 4.22Å; W380-E407 HydrophobicContact CE3-CB 3.82Å; W380-E407 HydrophobicContact CE3-CG 3.75Å; W380-E407 HydrophobicContact CG-CB 4.41Å; W380-E407 HydrophobicContact CH2-CB 3.74Å; W380-E407 VanDerWaalsContact CH2-CD 3.42Å; W380-E407 HydrophobicContact CH2-CG 3.78Å; W380-E407 WeakPolarHBondContact CH2-OE2 3.39Å; W380-E407 HydrophobicContact CZ2-CB 3.69Å; W380-E407 HydrophobicContact CZ2-CG 4.28Å; W380-E407 HydrophobicContact CZ3-CB 3.81Å; W380-E407 VanDerWaalsContact CZ3-CD 3.41Å; W380-E407 HydrophobicContact CZ3-CG 3.5Å; C389-E407 HydrophobicContact CB-CG 4.13Å; E407-C410 PolarHBondContact O-N 3.33Å; E407-S411 WeakPolarHBondContact O-CB 3.33Å; E407-S411 PolarHBondContact O-N 2.99Å; E407-S411 PolarHBondContact O-OG 3.41Å
408	N	95.4	Very high	92	Very high	103 Å²	103	57.3 Å²	57.3	55%	0.551	32%	0.316	S	S	*	.	H	α-helix	trans	-69.4	-43.1	-178.1	-166.1	77.3	0	0	0	111.1	D406 C410 S411 E412	D406-N408 VanDerWaalsContact C-N 3.33Å; D406-N408 PolarHBondContact O-N 3.46Å; N408-C410 VanDerWaalsContact C-N 3.34Å; N408-C410 PolarHBondContact O-N 2.98Å; N408-S411 PolarHBondContact O-N 3.37Å; N408-S411 VanDerWaalsContact O-N 3.16Å; N408-E412 PolarHBondContact ND2-OE1 3.47Å; N408-E412 WeakPolarHBondContact O-CB 3.47Å; N408-E412 WeakPolarHBondContact O-CG 3.44Å; N408-E412 PolarHBondContact O-N 3.03Å
409	D	94.5	Very high	92	Very high	75 Å²	75	57.7 Å²	57.7	40%	0.401	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-44.2	175.4	-178.4	47.5	0	0	0	111.4	D406 S411 T413	D406-D409 HydrophobicContact CB-CB 4.17Å; D406-D409 PolarHBondContact O-N 3.35Å; D409-S411 PolarHBondContact O-N 2.96Å; D409-T413 WeakPolarHBondContact O-CB 3.49Å; D409-T413 PolarHBondContact O-N 3.44Å; D409-T413 PolarHBondContact O-OG1 3.42Å
410	C	94.9	Very high	91.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.8	-45.9	172.4	172.3	0	0	0	0	112.4	W380 C389 F404 D406 E407 N408 C414	W380-C410 HydrophobicContact CB-CB 4.2Å; C389-C410 HydrophobicContact CB-CB 3.86Å; C389-C410 WeakPolarHBondContact CB-SG 3.42Å; C389-C410 WeakPolarHBondContact SG-CB 3.47Å; C389-C410 CovalentContact SG-SG 2.03Å; C389-C410 PolarHBondContact SG-SG 3.23Å; F404-C410 HydrophobicContact CB-CB 3.76Å; F404-C410 HydrophobicContact CD1-CB 4.32Å; F404-C410 HydrophobicContact CD2-CB 3.53Å; F404-C410 HydrophobicContact CE2-CB 4.19Å; F404-C410 HydrophobicContact CG-CB 3.61Å; D406-C410 PolarHBondContact O-N 3.43Å; D406-C410 VanDerWaalsContact O-N 3.12Å; E407-C410 PolarHBondContact O-N 3.33Å; N408-C410 VanDerWaalsContact C-N 3.34Å; N408-C410 PolarHBondContact O-N 2.98Å; C410-C414 WeakPolarHBondContact O-CB 3.37Å; C410-C414 PolarHBondContact O-N 3.33Å
411	S	93.7	Very high	91.3	Very high	49 Å²	49	62.8 Å²	62.8	34%	0.343	33%	0.331	S	S	.	.	H	α-helix	trans	-71.7	-39.2	-175.4	-58.8	0	0	0	0	112.3	C389 E407 N408 D409 D415	C389-S411 PolarHBondContact SG-N 3.46Å; C389-S411 PolarHBondContact SG-OG 2.89Å; E407-S411 WeakPolarHBondContact O-CB 3.33Å; E407-S411 PolarHBondContact O-N 2.99Å; E407-S411 PolarHBondContact O-OG 3.41Å; N408-S411 PolarHBondContact O-N 3.37Å; N408-S411 VanDerWaalsContact O-N 3.16Å; D409-S411 PolarHBondContact O-N 2.96Å; S411-D415 PolarHBondContact O-N 3.13Å
412	E	93	Very high	91	Very high	134 Å²	134	62.1 Å²	62.1	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-70.5	-42.6	176.8	-72.6	179.7	-179.5	0	0	111.5	N408	N408-E412 PolarHBondContact ND2-OE1 3.47Å; N408-E412 WeakPolarHBondContact O-CB 3.47Å; N408-E412 WeakPolarHBondContact O-CG 3.44Å; N408-E412 PolarHBondContact O-N 3.03Å
413	T	91.7	Very high	90.3	Very high	29 Å²	29	63.2 Å²	63.2	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-39.7	179.3	-61.9	0	0	0	0	111.7	L360 F404 D409	L360-T413 HydrophobicContact CD1-CG2 3.89Å; L360-T413 WeakPolarHBondContact CD2-O 3.39Å; L360-T413 HydrophobicContact CG-CG2 4.02Å; L360-T413 WeakPolarHBondContact CG-O 3.45Å; F404-T413 HydrophobicContact CE1-CG2 3.83Å; F404-T413 HydrophobicContact CZ-CG2 4.01Å; D409-T413 WeakPolarHBondContact O-CB 3.49Å; D409-T413 PolarHBondContact O-N 3.44Å; D409-T413 PolarHBondContact O-OG1 3.42Å
414	C	92.4	Very high	89.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	16.3	-175.8	-60.8	0	0	0	0	114.2	C364 Y382 C410 I417	C364-C414 HydrophobicContact CB-CB 3.7Å; C364-C414 WeakPolarHBondContact CB-SG 3.39Å; C364-C414 WeakPolarHBondContact SG-CA 3.44Å; C364-C414 WeakPolarHBondContact SG-CB 3.38Å; C364-C414 CovalentContact SG-SG 2.03Å; C364-C414 PolarHBondContact SG-SG 2.98Å; Y382-C414 WeakPolarHBondContact CB-SG 3.37Å; Y382-C414 HydrophobicContact CD1-CB 3.66Å; Y382-C414 HydrophobicContact CD2-CB 3.47Å; Y382-C414 VanDerWaalsContact CD2-CB 3.47Å; Y382-C414 HydrophobicContact CE1-CB 4.08Å; Y382-C414 HydrophobicContact CE2-CB 3.92Å; Y382-C414 HydrophobicContact CG-CB 3.32Å; C410-C414 WeakPolarHBondContact O-CB 3.37Å; C410-C414 PolarHBondContact O-N 3.33Å; C414-I417 HydrophobicContact CB-CG1 4.4Å; C414-I417 WeakPolarHBondContact O-CB 2.98Å; C414-I417 VanDerWaalsContact O-CG1 3.31Å; C414-I417 WeakPolarHBondContact O-CG1 3.21Å; C414-I417 PolarHBondContact O-N 3.37Å
415	D	90.7	Very high	88.9	Confident	137 Å²	137	68.2 Å²	68.2	73%	0.733	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	139	178.1	-171.9	33	0	0	0	111.6	S411 I417	S411-D415 PolarHBondContact O-N 3.13Å; D415-I417 VanDerWaalsContact C-N 3.26Å; D415-I417 PolarHBondContact O-N 3.31Å
416	G	86.9	Confident	88.1	Confident	55 Å²	55	62.2 Å²	62.2	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-5.9	-177.1	0	0	0	0	0	116
417	I	88.9	Confident	87.3	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.041	30%	0.304	C	S	.	.			trans	-77.1	129.6	175	-53.9	-61.3	0	0	0	110.3	Q361 C364 V365 Y382 P384 C414 D415 N421	Q361-I417 HydrophobicContact CB-CD1 4.05Å; Q361-I417 HydrophobicContact CG-CD1 3.47Å; Q361-I417 VanDerWaalsContact CG-CD1 3.47Å; C364-I417 HydrophobicContact CB-CB 4.38Å; C364-I417 HydrophobicContact CB-CG1 3.94Å; C364-I417 HydrophobicContact CB-CG2 4.13Å; V365-I417 HydrophobicContact CG1-CG2 3.84Å; Y382-I417 HydrophobicContact CD1-CB 4.36Å; Y382-I417 HydrophobicContact CD1-CG2 4.32Å; Y382-I417 HydrophobicContact CE1-CB 3.65Å; Y382-I417 HydrophobicContact CE1-CG2 3.82Å; Y382-I417 PolarHBondContact OH-O 2.93Å; P384-I417 HydrophobicContact CB-CG2 4.28Å; P384-I417 HydrophobicContact CG-CG2 4.17Å; C414-I417 HydrophobicContact CB-CG1 4.4Å; C414-I417 WeakPolarHBondContact O-CB 2.98Å; C414-I417 VanDerWaalsContact O-CG1 3.31Å; C414-I417 WeakPolarHBondContact O-CG1 3.21Å; C414-I417 PolarHBondContact O-N 3.37Å; D415-I417 VanDerWaalsContact C-N 3.26Å; D415-I417 PolarHBondContact O-N 3.31Å; I417-N421 HydrophobicContact CG2-CB 4.19Å
418	T	88.5	Confident	86.7	Confident	36 Å²	36	55.1 Å²	55.1	22%	0.221	28%	0.282	C	S	.	.			trans	-133.3	175.3	-177.3	68.7	0	0	0	0	112.1	R420 N421	T418-R420 PolarHBondContact O-N 2.87Å; T418-R420 PolarHBondContact OG1-N 3.29Å; T418-N421 PolarHBondContact N-OD1 3.3Å; T418-N421 WeakPolarHBondContact O-CB 2.99Å; T418-N421 PolarHBondContact O-N 3.26Å; T418-N421 PolarHBondContact O-OD1 2.99Å; T418-N421 PolarHBondContact OG1-OD1 3.29Å
419	E	84.8	Confident	85.9	Confident	72 Å²	72	52.5 Å²	52.5	34%	0.336	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-50.2	-27	171	-67.4	-172.4	168.6	0	0	113.9	P384 K385 N421 M422 R425	P384-E419 PolarHBondContact O-N 3.35Å; K385-E419 HydrophobicContact CB-CG 4.44Å; K385-E419 VanDerWaalsContact CG-OE1 3.31Å; K385-E419 WeakPolarHBondContact CG-OE1 2.95Å; E419-N421 PolarHBondContact O-N 3.44Å; E419-M422 HydrophobicContact CB-SD 4.08Å; E419-M422 HydrophobicContact CG-SD 4.23Å; E419-M422 WeakPolarHBondContact O-CG 3.31Å; E419-M422 PolarHBondContact O-N 3.16Å; E419-M422 VanDerWaalsContact O-N 3.15Å; E419-R425 VanDerWaalsContact CD-NH1 3.25Å; E419-R425 IonicContact OE1-CZ 3.75Å; E419-R425 IonicContact OE1-NH1 2.84Å; E419-R425 PolarHBondContact OE1-NH1 3.41Å; E419-R425 IonicContact OE1-NH2 2.87Å; E419-R425 IonicContact OE2-NH1 3.19Å; E419-R425 PolarHBondContact OE2-NH1 3.23Å
420	R	82.3	Confident	85.2	Confident	207 Å²	207	50.5 Å²	50.5	78%	0.781	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-70.5	-17.4	178.5	-60.5	-177.1	-169.6	139.5	1.4	113.6	F40 T418 M422	F40-R420 WeakPolarHBondContact CZ-O 3.23Å; T418-R420 PolarHBondContact O-N 2.87Å; T418-R420 PolarHBondContact OG1-N 3.29Å; R420-M422 VanDerWaalsContact C-N 3.34Å
421	N	82.6	Confident	84.2	Confident	28 Å²	28	52.8 Å²	52.8	15%	0.15	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-88.9	-7.1	176.5	-57.1	93.5	0	0	0	111.6	F40 V365 I417 T418 E419	F40-N421 WeakPolarHBondContact CE1-O 3.42Å; V365-N421 HydrophobicContact CG1-CB 4.1Å; I417-N421 HydrophobicContact CG2-CB 4.19Å; T418-N421 PolarHBondContact N-OD1 3.3Å; T418-N421 WeakPolarHBondContact O-CB 2.99Å; T418-N421 PolarHBondContact O-N 3.26Å; T418-N421 PolarHBondContact O-OD1 2.99Å; T418-N421 PolarHBondContact OG1-OD1 3.29Å; E419-N421 PolarHBondContact O-N 3.44Å
422	M	81.6	Confident	82.7	Confident	12 Å²	12	52.5 Å²	52.5	6%	0.059	27%	0.27	C	S	.	.			trans	-91.7	137.4	-177.6	92.8	-164	-48.8	0	0	111.5	F40 E419 R420 R425 F428	F40-M422 VanDerWaalsContact CZ-O 3.25Å; F40-M422 WeakPolarHBondContact CZ-O 3.49Å; E419-M422 HydrophobicContact CB-SD 4.08Å; E419-M422 HydrophobicContact CG-SD 4.23Å; E419-M422 WeakPolarHBondContact O-CG 3.31Å; E419-M422 PolarHBondContact O-N 3.16Å; E419-M422 VanDerWaalsContact O-N 3.15Å; R420-M422 VanDerWaalsContact C-N 3.34Å; M422-R425 HydrophobicContact CE-CB 4.49Å; M422-R425 VanDerWaalsContact SD-CA 3.59Å; M422-R425 HydrophobicContact SD-CB 3.93Å; M422-R425 HydrophobicContact SD-CG 4.2Å; M422-F428 HydrophobicContact CE-CB 4.36Å; M422-F428 HydrophobicContact CE-CD2 3.24Å; M422-F428 HydrophobicContact CE-CE2 3.77Å; M422-F428 HydrophobicContact CE-CG 4.06Å
423	F	79	Confident	80.9	Confident	23 Å²	23	48 Å²	48	10%	0.101	25%	0.253	C	S	.	.	S	Bend	trans	-73.9	-45.4	177.1	-179.9	-103.2	0	0	0	112.8	S37 F40 F109 S117 I119 L128	S37-F423 PolarHBondContact OG-O 2.92Å; F40-F423 HydrophobicContact CB-CD2 3.7Å; F40-F423 HydrophobicContact CB-CE2 4.04Å; F40-F423 HydrophobicContact CD1-CB 4.24Å; F40-F423 HydrophobicContact CD1-CD2 4.03Å; F40-F423 HydrophobicContact CD2-CD2 4.46Å; F40-F423 HydrophobicContact CE1-CB 4.37Å; F40-F423 AromaticContact CG-CD2 3.81Å; F40-F423 HydrophobicContact CG-CD2 3.81Å; F109-F423 HydrophobicContact CB-CB 3.82Å; F109-F423 HydrophobicContact CB-CD2 3.56Å; F109-F423 HydrophobicContact CB-CE2 4.31Å; F109-F423 HydrophobicContact CB-CG 3.73Å; F109-F423 AromaticContact CD1-CD2 3.93Å; F109-F423 HydrophobicContact CD1-CD2 3.93Å; F109-F423 AromaticContact CD1-CE2 3.8Å; F109-F423 HydrophobicContact CD1-CE2 3.8Å; F109-F423 HydrophobicContact CD1-CG 4.49Å; F109-F423 HydrophobicContact CD1-CZ 4.28Å; F109-F423 HydrophobicContact CD2-CB 4.07Å; F109-F423 AromaticContact CD2-CD1 3.46Å; F109-F423 HydrophobicContact CD2-CD1 3.46Å; F109-F423 VanDerWaalsContact CD2-CD1 3.46Å; F109-F423 AromaticContact CD2-CD2 3.72Å; F109-F423 HydrophobicContact CD2-CD2 3.72Å; F109-F423 AromaticContact CD2-CE1 3.78Å; F109-F423 HydrophobicContact CD2-CE1 3.78Å; F109-F423 HydrophobicContact CD2-CE2 4.01Å; F109-F423 AromaticContact CD2-CG 3.43Å; F109-F423 HydrophobicContact CD2-CG 3.43Å; F109-F423 VanDerWaalsContact CD2-CG 3.43Å; F109-F423 HydrophobicContact CD2-CZ 4.05Å; F109-F423 HydrophobicContact CE1-CE2 4.06Å; F109-F423 HydrophobicContact CE1-CZ 4.12Å; F109-F423 AromaticContact CE2-CD1 3.75Å; F109-F423 HydrophobicContact CE2-CD1 3.75Å; F109-F423 HydrophobicContact CE2-CD2 4.38Å; F109-F423 AromaticContact CE2-CE1 3.6Å; F109-F423 HydrophobicContact CE2-CE1 3.6Å; F109-F423 HydrophobicContact CE2-CE2 4.25Å; F109-F423 HydrophobicContact CE2-CG 4.14Å; F109-F423 AromaticContact CE2-CZ 3.87Å; F109-F423 HydrophobicContact CE2-CZ 3.87Å; F109-F423 HydrophobicContact CG-CB 4.24Å; F109-F423 HydrophobicContact CG-CD1 4.12Å; F109-F423 AromaticContact CG-CD2 3.46Å; F109-F423 HydrophobicContact CG-CD2 3.46Å; F109-F423 VanDerWaalsContact CG-CD2 3.46Å; F109-F423 HydrophobicContact CG-CE1 4.4Å; F109-F423 AromaticContact CG-CE2 3.78Å; F109-F423 HydrophobicContact CG-CE2 3.78Å; F109-F423 AromaticContact CG-CG 3.64Å; F109-F423 HydrophobicContact CG-CG 3.64Å; F109-F423 HydrophobicContact CG-CZ 4.25Å; F109-F423 HydrophobicContact CZ-CE1 4.09Å; F109-F423 HydrophobicContact CZ-CE2 4.28Å; F109-F423 AromaticContact CZ-CZ 3.92Å; F109-F423 HydrophobicContact CZ-CZ 3.92Å; S117-F423 WeakPolarHBondContact OG-CE2 3.24Å; I119-F423 HydrophobicContact CD1-CE1 3.31Å; I119-F423 HydrophobicContact CD1-CZ 3.39Å; I119-F423 HydrophobicContact CG1-CZ 4.28Å; L128-F423 HydrophobicContact CD1-CD1 4.47Å; L128-F423 HydrophobicContact CD1-CE1 3.91Å
424	S	80.3	Confident	78.9	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.084	27%	0.274	C	S	.	.			trans	-134.6	124.4	175.2	-178.5	0	0	0	0	111.3	L128 G426 M427	L128-S424 PolarHBondContact O-OG 3.29Å; S424-G426 PolarHBondContact O-N 3.43Å; S424-G426 PolarHBondContact OG-N 3.26Å; S424-M427 PolarHBondContact O-N 3.03Å
425	R	79.7	Confident	76.8	Confident	119 Å²	119	56.5 Å²	56.5	45%	0.449	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60.9	-33.8	173.5	-172	177.8	175.1	121.8	2.2	112.7	E419 M422 M427 F428 D429	E419-R425 VanDerWaalsContact CD-NH1 3.25Å; E419-R425 IonicContact OE1-CZ 3.75Å; E419-R425 IonicContact OE1-NH1 2.84Å; E419-R425 PolarHBondContact OE1-NH1 3.41Å; E419-R425 IonicContact OE1-NH2 2.87Å; E419-R425 IonicContact OE2-NH1 3.19Å; E419-R425 PolarHBondContact OE2-NH1 3.23Å; M422-R425 HydrophobicContact CE-CB 4.49Å; M422-R425 VanDerWaalsContact SD-CA 3.59Å; M422-R425 HydrophobicContact SD-CB 3.93Å; M422-R425 HydrophobicContact SD-CG 4.2Å; R425-M427 PolarHBondContact O-N 2.56Å; R425-M427 VanDerWaalsContact O-N 3.13Å; R425-F428 PolarHBondContact O-N 2.91Å; R425-D429 PolarHBondContact O-N 2.72Å
426	G	78	Confident	74.6	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.031	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17.1	-174.8	0	0	0	0	0	115.5	A130 S424 F428 R430	A130-G426 VanDerWaalsContact CB-CA 3.41Å; S424-G426 PolarHBondContact O-N 3.43Å; S424-G426 PolarHBondContact OG-N 3.26Å; G426-F428 VanDerWaalsContact C-N 3.32Å; G426-R430 PolarHBondContact O-NE 2.99Å
427	M	79	Confident	72.5	Confident	53 Å²	53	62.6 Å²	62.6	26%	0.261	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-67.8	-33.4	176.6	-160.8	166.9	-160.7	0	0	112.2	P367 S424 R425 F431	P367-M427 HydrophobicContact CB-CG 4.06Å; P367-M427 VanDerWaalsContact CD-CE 3.41Å; P367-M427 VanDerWaalsContact CD-SD 3.54Å; P367-M427 HydrophobicContact CG-CE 3.45Å; P367-M427 VanDerWaalsContact CG-CE 3.45Å; P367-M427 HydrophobicContact CG-CG 3.65Å; P367-M427 HydrophobicContact CG-SD 3.91Å; S424-M427 PolarHBondContact O-N 3.03Å; R425-M427 PolarHBondContact O-N 2.56Å; R425-M427 VanDerWaalsContact O-N 3.13Å; M427-F431 WeakPolarHBondContact O-CD2 3.46Å
428	F	81.9	Confident	70.1	Confident	3 Å²	3	71.4 Å²	71.4	1%	0.013	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.2	-178.5	-72	-90.6	0	0	0	113.4	V365 E366 N383 P384 M422 R425 G426 R430 F431	V365-F428 VanDerWaalsContact O-CE2 3.27Å; V365-F428 WeakPolarHBondContact O-CE2 2.95Å; V365-F428 VanDerWaalsContact O-CZ 3.26Å; V365-F428 WeakPolarHBondContact O-CZ 3.43Å; E366-F428 WeakPolarHBondContact O-CZ 3.38Å; N383-F428 HydrophobicContact CB-CD1 4.5Å; P384-F428 HydrophobicContact CG-CE2 4.45Å; P384-F428 HydrophobicContact CG-CZ 4.1Å; M422-F428 HydrophobicContact CE-CB 4.36Å; M422-F428 HydrophobicContact CE-CD2 3.24Å; M422-F428 HydrophobicContact CE-CE2 3.77Å; M422-F428 HydrophobicContact CE-CG 4.06Å; R425-F428 PolarHBondContact O-N 2.91Å; G426-F428 VanDerWaalsContact C-N 3.32Å; F428-R430 PolarHBondContact O-N 3.27Å; F428-F431 PolarHBondContact O-N 2.79Å
429	D	79.9	Confident	67.6	Low	48 Å²	48	75.1 Å²	75.1	26%	0.257	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-62.5	-13.9	176.2	-69.7	-29.7	0	0	0	113.1	A130 K385 R425	A130-D429 HydrophobicContact CB-CB 4.21Å; A130-D429 WeakPolarHBondContact CB-OD2 3.44Å; K385-D429 WeakPolarHBondContact CE-OD1 3.02Å; K385-D429 IonicContact NZ-OD1 3.47Å; K385-D429 PolarHBondContact NZ-OD1 3.43Å; R425-D429 PolarHBondContact O-N 2.72Å
430	R	79.3	Confident	65.4	Low	32 Å²	32	76.1 Å²	76.1	12%	0.121	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-76.3	-24.5	175.8	-61.2	167.9	-174	-150.8	-7.7	113.4	R126 Y127 E129 P131 I138 L163 G426 F428	R126-R430 PolarHBondContact O-NH2 3Å; Y127-R430 VanDerWaalsContact C-NH2 3.32Å; Y127-R430 PolarHBondContact O-NH1 2.82Å; Y127-R430 PolarHBondContact O-NH2 2.77Å; E129-R430 PolarHBondContact O-NH2 2.8Å; P131-R430 HydrophobicContact CG-CG 3.81Å; I138-R430 HydrophobicContact CD1-CG 3.92Å; L163-R430 HydrophobicContact CD2-CB 4.16Å; L163-R430 HydrophobicContact CD2-CG 4.45Å; G426-R430 PolarHBondContact O-NE 2.99Å; F428-R430 PolarHBondContact O-N 3.27Å
431	F	74.6	Confident	63.7	Low	49 Å²	49	72.3 Å²	72.3	22%	0.215	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-117.8	38.2	-170.1	-56.1	-80.6	0	0	0	111	I161 P367 P368 Y381 M427 F428	I161-F431 HydrophobicContact CD1-CE1 3.96Å; I161-F431 HydrophobicContact CD1-CE2 4.46Å; I161-F431 HydrophobicContact CD1-CZ 3.56Å; I161-F431 HydrophobicContact CG1-CE1 4.24Å; I161-F431 HydrophobicContact CG1-CZ 4.33Å; I161-F431 HydrophobicContact CG2-CE1 4.21Å; P367-F431 HydrophobicContact CB-CD2 4.04Å; P367-F431 HydrophobicContact CB-CE2 3.54Å; P367-F431 HydrophobicContact CB-CZ 4.31Å; P368-F431 HydrophobicContact CG-CB 4.25Å; P368-F431 HydrophobicContact CG-CD1 3.85Å; P368-F431 HydrophobicContact CG-CD2 4.23Å; P368-F431 HydrophobicContact CG-CE1 4.19Å; P368-F431 HydrophobicContact CG-CG 3.86Å; Y381-F431 PolarHBondContact OH-O 3.12Å; M427-F431 WeakPolarHBondContact O-CD2 3.46Å; F428-F431 PolarHBondContact O-N 2.79Å
432	G	61.8	Low	62.3	Low	43 Å²	43	75.6 Å²	75.6	44%	0.443	41%	0.413	S	S	.	.			trans	-44.8	145.8	-173.8	0	0	0	0	0	113.7	D434	G432-D434 PolarHBondContact O-N 3.08Å
433	S	54.8	Low	60.9	Low	38 Å²	38	77 Å²	77	27%	0.266	43%	0.43	S	S	.	.			trans	-63.3	123.3	-178.7	24.1	0	0	0	0	110.8	D386 D435	D386-S433 PolarHBondContact OD2-OG 2.97Å; D386-S433 VanDerWaalsContact OD2-OG 3.09Å; S433-D435 PolarHBondContact O-N 2.97Å
434	D	50.6	Low	60.1	Low	116 Å²	116	78.6 Å²	78.6	62%	0.62	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-67.2	20.6	175.1	-72.8	-41.3	0	0	0	113.8	H165 G432 D436 E437	H165-D434 IonicContact CE1-OD1 2.97Å; H165-D434 PolarHBondContact CE1-OD1 3.16Å; H165-D434 IonicContact ND1-OD1 3.37Å; H165-D434 PolarHBondContact ND1-OD1 3.08Å; H165-D434 VanDerWaalsContact ND1-OD1 3.09Å; G432-D434 PolarHBondContact O-N 3.08Å; D434-D436 PolarHBondContact O-N 3.25Å; D434-E437 PolarHBondContact O-N 2.93Å
435	D	47.4	Very low	59.2	Low	93 Å²	93	81.9 Å²	81.9	50%	0.497	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-73.6	-8.6	-175.2	-81.6	-17.4	0	0	0	113.4	K388 S433 E437	K388-D435 IonicContact NZ-OD2 2.94Å; S433-D435 PolarHBondContact O-N 2.97Å; D435-E437 VanDerWaalsContact C-N 3.33Å; D435-E437 PolarHBondContact O-N 3.41Å
436	D	43.9	Very low	58.7	Low	136 Å²	136	78.5 Å²	78.5	73%	0.727	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-80.7	-6.5	177.7	-79.8	-26.4	0	0	0	114.4	D434 K438	D434-D436 PolarHBondContact O-N 3.25Å; D436-K438 VanDerWaalsContact C-N 3.27Å; D436-K438 PolarHBondContact O-N 3.2Å
437	E	44.8	Very low	58.6	Low	184 Å²	184	83.7 Å²	83.7	86%	0.86	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-90	23.6	174.6	-151.5	170	179.8	0	0	113.4	D434 D435	D434-E437 PolarHBondContact O-N 2.93Å; D435-E437 VanDerWaalsContact C-N 3.33Å; D435-E437 PolarHBondContact O-N 3.41Å
438	K	36.9	Very low	58.5	Low	192 Å²	192	83.9 Å²	83.9	84%	0.835	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-134.2	38.1	173.9	-74.7	-170.3	-176.5	167.7	0	115.5	D436	D436-K438 VanDerWaalsContact C-N 3.27Å; D436-K438 PolarHBondContact O-N 3.2Å
439	T	36	Very low	58.5	Low	114 Å²	114	87.7 Å²	87.7	70%	0.699	52%	0.521	S	S	*	.	S	Bend	trans	-141	7.3	165.7	51.5	0	0	0	0	117.3
440	A	40.1	Very low	58.8	Low	94 Å²	94	90.2 Å²	90.2	78%	0.777	53%	0.534	S	S	*	.	S	Bend	trans	-82.2	-23.9	177.4	0	0	0	0	0	114.8
441	D	45.1	Very low	59.3	Low	126 Å²	126	94.2 Å²	94.2	67%	0.674	56%	0.557	S	S	*	*	H	α-helix	trans	-102.6	-16.2	-169.7	-150.4	29.6	0	0	0	115	S444 V445	D441-S444 PolarHBondContact O-OG 3.42Å; D441-S444 VanDerWaalsContact O-OG 3.06Å; D441-V445 VanDerWaalsContact O-CG2 3.29Å; D441-V445 WeakPolarHBondContact O-CG2 3.34Å
442	S	53	Low	60	Low	98 Å²	98	94.4 Å²	94.4	69%	0.685	57%	0.568	S	S	*	*	H	α-helix	trans	-84.5	-25.5	178.8	-166.1	0	0	0	0	113.3	A446	S442-A446 WeakPolarHBondContact O-CB 3.47Å; S442-A446 PolarHBondContact O-N 3.28Å
443	G	52.9	Low	61.5	Low	41 Å²	41	96.6 Å²	96.6	42%	0.423	57%	0.572	S	S	.	*	H	α-helix	trans	-76.9	-36.2	179.5	0	0	0	0	0	113.2	L447	G443-L447 WeakPolarHBondContact O-CB 3.47Å; G443-L447 WeakPolarHBondContact O-CG 3.47Å; G443-L447 PolarHBondContact O-N 3.43Å; G443-L447 VanDerWaalsContact O-N 3.11Å
444	S	61.2	Low	63.3	Low	57 Å²	57	98 Å²	98	40%	0.399	58%	0.581	S	S	.	*	H	α-helix	trans	-67.9	-42.6	176.7	52.9	0	0	0	0	111.6	D441 A448	D441-S444 PolarHBondContact O-OG 3.42Å; D441-S444 VanDerWaalsContact O-OG 3.06Å; S444-A448 WeakPolarHBondContact O-CB 3.48Å; S444-A448 PolarHBondContact O-N 3.27Å
445	V	62.6	Low	65.4	Low	81 Å²	81	96.4 Å²	96.4	49%	0.491	58%	0.576	S	S	.	*	H	α-helix	trans	-68.5	-42	177.9	178.6	0	0	0	0	111.2	D441 L447 A448 V449	D441-V445 VanDerWaalsContact O-CG2 3.29Å; D441-V445 WeakPolarHBondContact O-CG2 3.34Å; V445-L447 PolarHBondContact O-N 3.26Å; V445-A448 PolarHBondContact O-N 2.96Å; V445-V449 HydrophobicContact CG1-CG2 4.37Å; V445-V449 VanDerWaalsContact O-CG2 3.26Å; V445-V449 WeakPolarHBondContact O-CG2 3.22Å; V445-V449 PolarHBondContact O-N 3.34Å
446	A	69.4	Low	67.6	Low	48 Å²	48	97.3 Å²	97.3	40%	0.397	58%	0.58	S	S	.	*	H	α-helix	trans	-62.8	-43.3	176.8	0	0	0	0	0	112.2	S442 V449 I450	S442-A446 WeakPolarHBondContact O-CB 3.47Å; S442-A446 PolarHBondContact O-N 3.28Å; A446-V449 PolarHBondContact O-N 3.33Å; A446-I450 WeakPolarHBondContact O-CB 3.42Å; A446-I450 WeakPolarHBondContact O-CD1 3.49Å; A446-I450 WeakPolarHBondContact O-CG1 3.43Å; A446-I450 PolarHBondContact O-N 3.2Å
447	L	75.3	Confident	69.9	Low	112 Å²	112	93.1 Å²	93.1	59%	0.586	56%	0.564	S	S	*	*	H	α-helix	trans	-64.8	-40.6	175.3	-79.1	168.1	0	0	0	112.3	G443 V445 I450 L451	G443-L447 WeakPolarHBondContact O-CB 3.47Å; G443-L447 WeakPolarHBondContact O-CG 3.47Å; G443-L447 PolarHBondContact O-N 3.43Å; G443-L447 VanDerWaalsContact O-N 3.11Å; V445-L447 PolarHBondContact O-N 3.26Å; L447-I450 PolarHBondContact O-N 3.46Å; L447-L451 WeakPolarHBondContact O-CB 3.19Å; L447-L451 VanDerWaalsContact O-CG 3.3Å; L447-L451 WeakPolarHBondContact O-CG 3.34Å; L447-L451 PolarHBondContact O-N 3.11Å
448	A	76.9	Confident	72.1	Confident	57 Å²	57	89.5 Å²	89.5	47%	0.471	55%	0.55	S	S	.	*	H	α-helix	trans	-63.9	-41.4	176.8	0	0	0	0	0	112	S444 V445 L451 A452	S444-A448 WeakPolarHBondContact O-CB 3.48Å; S444-A448 PolarHBondContact O-N 3.27Å; V445-A448 PolarHBondContact O-N 2.96Å; A448-L451 PolarHBondContact O-N 3.14Å; A448-A452 WeakPolarHBondContact O-CB 3.49Å; A448-A452 PolarHBondContact O-N 3.07Å
449	V	82.9	Confident	74.8	Confident	83 Å²	83	85.8 Å²	85.8	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-66.7	-43.7	176.5	173.3	0	0	0	0	111	V445 A446 A452 V453	V445-V449 HydrophobicContact CG1-CG2 4.37Å; V445-V449 VanDerWaalsContact O-CG2 3.26Å; V445-V449 WeakPolarHBondContact O-CG2 3.22Å; V445-V449 PolarHBondContact O-N 3.34Å; A446-V449 PolarHBondContact O-N 3.33Å; V449-A452 PolarHBondContact O-N 2.63Å; V449-V453 VanDerWaalsContact O-CG2 3.3Å; V449-V453 WeakPolarHBondContact O-CG2 3.43Å; V449-V453 PolarHBondContact O-N 3.05Å
450	I	86	Confident	77.5	Confident	101 Å²	101	85.3 Å²	85.3	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-62.8	-44.8	177.1	-68.5	164.9	0	0	0	110.7	A446 L447 A452 V453 C454	A446-I450 WeakPolarHBondContact O-CB 3.42Å; A446-I450 WeakPolarHBondContact O-CD1 3.49Å; A446-I450 WeakPolarHBondContact O-CG1 3.43Å; A446-I450 PolarHBondContact O-N 3.2Å; L447-I450 PolarHBondContact O-N 3.46Å; I450-A452 PolarHBondContact O-N 3.2Å; I450-V453 PolarHBondContact O-N 3.17Å; I450-C454 WeakPolarHBondContact O-CB 3.49Å; I450-C454 PolarHBondContact O-N 3.2Å; I450-C454 PolarHBondContact O-SG 3.12Å; I450-C454 VanDerWaalsContact O-SG 3.38Å
451	L	89.2	Confident	79.9	Confident	115 Å²	115	85.5 Å²	85.5	60%	0.602	52%	0.522	S	S	*	.	H	α-helix	trans	-62.1	-42.6	176.5	-76.9	169.4	0	0	0	111.7	L447 A448 V453 C454 V455	L447-L451 WeakPolarHBondContact O-CB 3.19Å; L447-L451 VanDerWaalsContact O-CG 3.3Å; L447-L451 WeakPolarHBondContact O-CG 3.34Å; L447-L451 PolarHBondContact O-N 3.11Å; A448-L451 PolarHBondContact O-N 3.14Å; L451-V453 PolarHBondContact O-N 3.21Å; L451-C454 PolarHBondContact O-N 3.06Å; L451-V455 WeakPolarHBondContact O-CB 3.15Å; L451-V455 VanDerWaalsContact O-CG2 3.27Å; L451-V455 WeakPolarHBondContact O-CG2 3.5Å; L451-V455 PolarHBondContact O-N 2.77Å
452	A	90	Very high	82.1	Confident	54 Å²	54	84 Å²	84	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.8	0	0	0	0	0	112.1	A448 V449 I450 V455 L456	A448-A452 WeakPolarHBondContact O-CB 3.49Å; A448-A452 PolarHBondContact O-N 3.07Å; V449-A452 PolarHBondContact O-N 2.63Å; I450-A452 PolarHBondContact O-N 3.2Å; A452-V455 PolarHBondContact O-N 3.08Å; A452-L456 WeakPolarHBondContact O-CG 3.27Å; A452-L456 PolarHBondContact O-N 2.86Å
453	V	93	Very high	83.7	Confident	88 Å²	88	80.8 Å²	80.8	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-64.9	-42.4	176.5	172.9	0	0	0	0	111.2	V449 I450 L451 L456 A457	V449-V453 VanDerWaalsContact O-CG2 3.3Å; V449-V453 WeakPolarHBondContact O-CG2 3.43Å; V449-V453 PolarHBondContact O-N 3.05Å; I450-V453 PolarHBondContact O-N 3.17Å; L451-V453 PolarHBondContact O-N 3.21Å; V453-L456 PolarHBondContact O-N 3.06Å; V453-A457 WeakPolarHBondContact O-CB 3.47Å; V453-A457 PolarHBondContact O-N 3.04Å
454	C	92.4	Very high	85.4	Confident	68 Å²	68	85.5 Å²	85.5	46%	0.459	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.6	-75.1	0	0	0	0	112.4	I450 L451 A457 L458	I450-C454 WeakPolarHBondContact O-CB 3.49Å; I450-C454 PolarHBondContact O-N 3.2Å; I450-C454 PolarHBondContact O-SG 3.12Å; I450-C454 VanDerWaalsContact O-SG 3.38Å; L451-C454 PolarHBondContact O-N 3.06Å; C454-A457 PolarHBondContact O-N 3.22Å; C454-L458 WeakPolarHBondContact O-CG 3.15Å; C454-L458 PolarHBondContact O-N 2.94Å
455	V	93.8	Very high	86.5	Confident	83 Å²	83	85.9 Å²	85.9	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176	170.5	0	0	0	0	110.8	L451 A452 A457 L458 L459	L451-V455 WeakPolarHBondContact O-CB 3.15Å; L451-V455 VanDerWaalsContact O-CG2 3.27Å; L451-V455 WeakPolarHBondContact O-CG2 3.5Å; L451-V455 PolarHBondContact O-N 2.77Å; A452-V455 PolarHBondContact O-N 3.08Å; V455-A457 PolarHBondContact O-N 3.28Å; V455-L458 PolarHBondContact O-N 2.54Å; V455-L459 HydrophobicContact CG1-CD1 4.15Å; V455-L459 HydrophobicContact CG1-CG 4.5Å; V455-L459 WeakPolarHBondContact O-CG 3.47Å; V455-L459 PolarHBondContact O-N 2.8Å
456	L	93.7	Very high	87.4	Confident	111 Å²	111	88.2 Å²	88.2	58%	0.581	51%	0.509	S	S	*	.	H	α-helix	trans	-62.6	-42.7	176.3	-74.8	171.7	0	0	0	112.1	A452 V453 L458 L459 V460	A452-L456 WeakPolarHBondContact O-CG 3.27Å; A452-L456 PolarHBondContact O-N 2.86Å; V453-L456 PolarHBondContact O-N 3.06Å; L456-L458 VanDerWaalsContact C-N 3.34Å; L456-L458 PolarHBondContact O-N 3.18Å; L456-L459 PolarHBondContact O-N 2.03Å; L456-V460 WeakPolarHBondContact O-CG2 3.37Å; L456-V460 PolarHBondContact O-N 2.8Å
457	A	92.4	Very high	87.8	Confident	48 Å²	48	91.1 Å²	91.1	40%	0.397	52%	0.517	S	S	.	.	H	α-helix	trans	-61.3	-42.4	176.1	0	0	0	0	0	111.8	V453 C454 V455 V460 I461	V453-A457 WeakPolarHBondContact O-CB 3.47Å; V453-A457 PolarHBondContact O-N 3.04Å; C454-A457 PolarHBondContact O-N 3.22Å; V455-A457 PolarHBondContact O-N 3.28Å; A457-V460 PolarHBondContact O-N 2.78Å; A457-I461 VanDerWaalsContact O-CG1 3.26Å; A457-I461 WeakPolarHBondContact O-CG1 3.05Å; A457-I461 PolarHBondContact O-N 2.98Å
458	L	92.3	Very high	87.7	Confident	109 Å²	109	92.8 Å²	92.8	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-63.9	-41.9	175.5	-75.4	172.3	0	0	0	112.2	C454 V455 L456 V460 I461 V462	C454-L458 WeakPolarHBondContact O-CG 3.15Å; C454-L458 PolarHBondContact O-N 2.94Å; V455-L458 PolarHBondContact O-N 2.54Å; L456-L458 VanDerWaalsContact C-N 3.34Å; L456-L458 PolarHBondContact O-N 3.18Å; L458-V460 VanDerWaalsContact C-N 3.32Å; L458-V460 PolarHBondContact O-N 3.01Å; L458-I461 PolarHBondContact O-N 2.84Å; L458-V462 WeakPolarHBondContact O-CB 3.33Å; L458-V462 VanDerWaalsContact O-CG2 3.27Å; L458-V462 WeakPolarHBondContact O-CG2 3.05Å; L458-V462 PolarHBondContact O-N 3.29Å
459	L	93	Very high	87.2	Confident	113 Å²	113	100 Å²	100	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-63.2	-38.5	176.2	-71.2	174.1	0	0	0	112	V455 L456 G463	V455-L459 HydrophobicContact CG1-CD1 4.15Å; V455-L459 HydrophobicContact CG1-CG 4.5Å; V455-L459 WeakPolarHBondContact O-CG 3.47Å; V455-L459 PolarHBondContact O-N 2.8Å; L456-L459 PolarHBondContact O-N 2.03Å; L459-G463 PolarHBondContact O-N 2.81Å
460	V	92	Very high	86.2	Confident	105 Å²	105	104 Å²	104	64%	0.636	54%	0.537	S	S	*	.	H	α-helix	trans	-65.1	-43.2	174	172.2	0	0	0	0	111.1	L456 A457 L458 G463 Y464	L456-V460 WeakPolarHBondContact O-CG2 3.37Å; L456-V460 PolarHBondContact O-N 2.8Å; A457-V460 PolarHBondContact O-N 2.78Å; L458-V460 VanDerWaalsContact C-N 3.32Å; L458-V460 PolarHBondContact O-N 3.01Å; V460-G463 PolarHBondContact O-N 3.47Å; V460-Y464 VanDerWaalsContact O-CB 3.24Å; V460-Y464 WeakPolarHBondContact O-CB 3.26Å; V460-Y464 PolarHBondContact O-N 3.2Å
461	I	90.8	Very high	85	Confident	97 Å²	97	110 Å²	110	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-44.3	177.7	-68.2	164.2	0	0	0	111	A457 L458 Y464 C465	A457-I461 VanDerWaalsContact O-CG1 3.26Å; A457-I461 WeakPolarHBondContact O-CG1 3.05Å; A457-I461 PolarHBondContact O-N 2.98Å; L458-I461 PolarHBondContact O-N 2.84Å; I461-Y464 PolarHBondContact O-N 3.43Å; I461-C465 WeakPolarHBondContact O-CB 3.38Å; I461-C465 PolarHBondContact O-N 3.43Å; I461-C465 PolarHBondContact O-SG 3.23Å; I461-C465 VanDerWaalsContact O-SG 3.32Å
462	V	90.3	Very high	83.3	Confident	95 Å²	95	112.4 Å²	112.4	58%	0.576	56%	0.559	S	S	*	*	H	α-helix	trans	-65	-43.9	177.3	171.9	0	0	0	0	110.6	L458 Y464 C465 Y466	L458-V462 WeakPolarHBondContact O-CB 3.33Å; L458-V462 VanDerWaalsContact O-CG2 3.27Å; L458-V462 WeakPolarHBondContact O-CG2 3.05Å; L458-V462 PolarHBondContact O-N 3.29Å; V462-Y464 PolarHBondContact O-N 3.3Å; V462-C465 PolarHBondContact O-N 3.43Å; V462-Y466 WeakPolarHBondContact O-CB 3.49Å; V462-Y466 PolarHBondContact O-N 2.72Å
463	G	88.3	Confident	81.2	Confident	31 Å²	31	113.7 Å²	113.7	32%	0.32	57%	0.569	S	S	.	*	H	α-helix	trans	-60.6	-43.4	174.2	0	0	0	0	0	112.5	L459 V460 Y466 L467	L459-G463 PolarHBondContact O-N 2.81Å; V460-G463 PolarHBondContact O-N 3.47Å; G463-Y466 PolarHBondContact O-N 2.9Å; G463-L467 WeakPolarHBondContact O-CB 3.37Å; G463-L467 WeakPolarHBondContact O-CG 3.26Å; G463-L467 PolarHBondContact O-N 3.19Å
464	Y	87.7	Confident	78.9	Confident	140 Å²	140	115.4 Å²	115.4	55%	0.549	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-43.8	174.8	178.9	-104.7	0	0	0	111.9	V460 I461 V462 Y466 L467 R468	V460-Y464 VanDerWaalsContact O-CB 3.24Å; V460-Y464 WeakPolarHBondContact O-CB 3.26Å; V460-Y464 PolarHBondContact O-N 3.2Å; I461-Y464 PolarHBondContact O-N 3.43Å; V462-Y464 PolarHBondContact O-N 3.3Å; Y464-Y466 VanDerWaalsContact C-N 3.34Å; Y464-Y466 PolarHBondContact O-N 2.97Å; Y464-L467 PolarHBondContact O-N 2.84Å; Y464-R468 WeakPolarHBondContact O-CB 3.25Å; Y464-R468 PolarHBondContact O-N 2.87Å
465	C	84.3	Confident	76.5	Confident	65 Å²	65	117.6 Å²	117.6	44%	0.439	60%	0.598	S	S	.	*	H	α-helix	trans	-62.6	-39.4	174.8	-77.3	0	0	0	0	112.3	I461 V462 R468 R469	I461-C465 WeakPolarHBondContact O-CB 3.38Å; I461-C465 PolarHBondContact O-N 3.43Å; I461-C465 PolarHBondContact O-SG 3.23Å; I461-C465 VanDerWaalsContact O-SG 3.32Å; V462-C465 PolarHBondContact O-N 3.43Å; C465-R468 PolarHBondContact O-N 2.84Å; C465-R469 WeakPolarHBondContact O-CB 3.32Å; C465-R469 WeakPolarHBondContact O-CG 3.48Å; C465-R469 PolarHBondContact O-N 3.03Å
466	Y	81.8	Confident	73.8	Confident	129 Å²	129	125.6 Å²	125.6	51%	0.506	62%	0.619	S	S	.	*	H	α-helix	trans	-65.3	-46.7	176	-174.4	-98.5	0	0	0	112	V462 G463 Y464 R468 R469 R470	V462-Y466 WeakPolarHBondContact O-CB 3.49Å; V462-Y466 PolarHBondContact O-N 2.72Å; G463-Y466 PolarHBondContact O-N 2.9Å; Y464-Y466 VanDerWaalsContact C-N 3.34Å; Y464-Y466 PolarHBondContact O-N 2.97Å; Y466-R468 VanDerWaalsContact C-N 3.34Å; Y466-R468 PolarHBondContact O-N 3.4Å; Y466-R469 PolarHBondContact O-N 3.19Å; Y466-R470 HydrophobicContact CE1-CG 4.41Å; Y466-R470 VanDerWaalsContact CE1-NE 3.31Å; Y466-R470 PolarHBondContact O-N 2.79Å; Y466-R470 PolarHBondContact OH-NE 3.17Å; Y466-R470 PolarHBondContact OH-NH2 3.47Å
467	L	78.5	Confident	70.9	Confident	110 Å²	110	125.6 Å²	125.6	58%	0.576	63%	0.629	S	S	*	*	H	α-helix	trans	-65.3	-37	176.3	-70.4	172.5	0	0	0	112.1	G463 Y464 R470 R471	G463-L467 WeakPolarHBondContact O-CB 3.37Å; G463-L467 WeakPolarHBondContact O-CG 3.26Å; G463-L467 PolarHBondContact O-N 3.19Å; Y464-L467 PolarHBondContact O-N 2.84Å; L467-R470 PolarHBondContact O-N 3.16Å; L467-R471 PolarHBondContact O-N 2.81Å; L467-R471 VanDerWaalsContact O-N 3.1Å
468	R	73.1	Confident	68.2	Low	146 Å²	146	128.3 Å²	128.3	55%	0.551	65%	0.651	S	S	*	*	H	α-helix	trans	-69.4	-33.6	175.6	-166.2	177.5	-176.5	-168.4	2.5	112.3	Y464 C465 Y466 R471	Y464-R468 WeakPolarHBondContact O-CB 3.25Å; Y464-R468 PolarHBondContact O-N 2.87Å; C465-R468 PolarHBondContact O-N 2.84Å; Y466-R468 VanDerWaalsContact C-N 3.34Å; Y466-R468 PolarHBondContact O-N 3.4Å; R468-R471 PolarHBondContact O-N 3.08Å
469	R	65.8	Low	65.3	Low	208 Å²	208	126.5 Å²	126.5	79%	0.785	66%	0.659	S	S	*	*	H	α-helix	trans	-66.7	-40.2	170.4	-83.4	-175.2	177.4	-176.8	-0.2	111.8	C465 Y466 R471 K472	C465-R469 WeakPolarHBondContact O-CB 3.32Å; C465-R469 WeakPolarHBondContact O-CG 3.48Å; C465-R469 PolarHBondContact O-N 3.03Å; Y466-R469 PolarHBondContact O-N 3.19Å; R469-R471 VanDerWaalsContact C-N 3.31Å; R469-R471 PolarHBondContact O-N 3.12Å; R469-K472 PolarHBondContact O-N 3.25Å; R469-K472 VanDerWaalsContact O-N 3.15Å
470	R	63.1	Low	63.1	Low	169 Å²	169	126.7 Å²	126.7	64%	0.638	67%	0.667	S	S	*	*	H	α-helix	trans	-64.1	-31.8	174.7	-77.2	-166.2	175.5	-161.7	1.6	113.5	Y466 L467 K472	Y466-R470 HydrophobicContact CE1-CG 4.41Å; Y466-R470 VanDerWaalsContact CE1-NE 3.31Å; Y466-R470 PolarHBondContact O-N 2.79Å; Y466-R470 PolarHBondContact OH-NE 3.17Å; Y466-R470 PolarHBondContact OH-NH2 3.47Å; L467-R470 PolarHBondContact O-N 3.16Å; R470-K472 PolarHBondContact O-N 3.41Å
471	R	59.7	Low	60.4	Low	225 Å²	225	127 Å²	127	85%	0.849	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-8.8	174.6	-78.2	-177.6	178.1	162.1	0.1	114.8	L467 R468 R469	L467-R471 PolarHBondContact O-N 2.81Å; L467-R471 VanDerWaalsContact O-N 3.1Å; R468-R471 PolarHBondContact O-N 3.08Å; R469-R471 VanDerWaalsContact C-N 3.31Å; R469-R471 PolarHBondContact O-N 3.12Å
472	K	53.3	Low	57.7	Low	167 Å²	167	130.7 Å²	130.7	73%	0.726	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	12.9	-180	-84.2	-169.9	175.5	-171.5	0	114.8	R469 R470 P474	R469-K472 PolarHBondContact O-N 3.25Å; R469-K472 VanDerWaalsContact O-N 3.15Å; R470-K472 PolarHBondContact O-N 3.41Å; K472-P474 VanDerWaalsContact O-CD 3.27Å; K472-P474 WeakPolarHBondContact O-CD 3.35Å
473	A	46.3	Very low	55.1	Low	80 Å²	80	130.7 Å²	130.7	66%	0.661	69%	0.693	S	S	*	*			trans	-98.8	107.6	172.3	0	0	0	0	0	111
474	P	43.8	Very low	52.4	Low	124 Å²	124	134.2 Å²	134.2	81%	0.805	72%	0.72	S	S	*	*			trans	-84	140.6	163.2	29.9	-24.1	0	0	0	110.8	K472	K472-P474 VanDerWaalsContact O-CD 3.27Å; K472-P474 WeakPolarHBondContact O-CD 3.35Å
475	S	42.9	Very low	49.9	Very low	115 Å²	115	135.6 Å²	135.6	80%	0.804	74%	0.736	S	S	*	*			trans	-47.2	135.6	173.3	132.8	0	0	0	0	113.7
476	R	37.3	Very low	47.5	Very low	251 Å²	251	137.2 Å²	137.2	95%	0.947	75%	0.748	S	S	*	*			trans	-143	131.5	147.6	-107.8	-178.7	171.3	-178.2	-3.7	111
477	S	33.4	Very low	45.4	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	76%	0.757	S	S	*	*			trans	-77.3	156.3	-172.3	53.1	0	0	0	0	114.8
478	A	34.9	Very low	43.5	Very low	104 Å²	104	139.2 Å²	139.2	86%	0.86	76%	0.759	S	S	*	*			trans	-10.9	135.4	158.5	0	0	0	0	0	117.1
479	G	30.9	Very low	41.8	Very low	72 Å²	72	138.3 Å²	138.3	74%	0.742	77%	0.765	S	S	*	*				137.4	179.1	54	0	0	0	0	0	106.7
480	P	47.2	Very low	40.6	Very low	116 Å²	116	133.1 Å²	133.1	75%	0.753	76%	0.757	S	S	*	*			cis	-136.3	176	-4.5	40.7	-20.8	0	0	0	116.6
481	T	34.7	Very low	39.3	Very low	112 Å²	112	132 Å²	132	69%	0.687	76%	0.763	S	S	*	*			trans	60.6	118.1	147.8	51.5	0	0	0	0	123.2
482	H	35.3	Very low	38.3	Very low	175 Å²	175	127.9 Å²	127.9	81%	0.81	76%	0.762	S	S	*	*				174.5	133.6	96.3	-101.7	-78.2	0	0	0	113.7
483	A	34.5	Very low	37.4	Very low	94 Å²	94	129.3 Å²	129.3	78%	0.777	76%	0.764	S	S	*	*			trans	34.9	126.9	145.4	0	0	0	0	0	122.6
484	A	32.9	Very low	37.1	Very low	106 Å²	106	132.5 Å²	132.5	88%	0.876	77%	0.77	S	S	*	*				176.7	146.8	101.4	0	0	0	0	0	112.1
485	L	35.4	Very low	37	Very low	168 Å²	168	130.2 Å²	130.2	88%	0.88	76%	0.757	S	S	*	*			trans	-82.3	163.9	-177.9	-127.2	93.4	0	0	0	113
486	S	32	Very low	36.9	Very low	99 Å²	99	130.6 Å²	130.6	69%	0.692	76%	0.755	S	S	*	*			trans	133.5	112.4	147.7	-167.4	0	0	0	0	110.5
487	E	38.1	Very low	37.3	Very low	149 Å²	149	124.2 Å²	124.2	70%	0.696	74%	0.744	S	S	*	*				47.4	125.8	80.4	-88.6	-178.9	150.4	0	0	111.1
488	Q	39.3	Very low	37.4	Very low	133 Å²	133	128.3 Å²	128.3	62%	0.621	75%	0.748	S	S	*	*			cis	-178.3	151.7	40.8	-158.4	121.4	1.3	0	0	109.1
489	D	36.8	Very low	38.2	Very low	126 Å²	126	129.2 Å²	129.2	67%	0.674	75%	0.745	S	S	*	*			trans	62.2	148.5	139.7	-72.8	-2.2	0	0	0	121.4
490	T	40	Very low	39.2	Very low	100 Å²	100	134.3 Å²	134.3	61%	0.613	78%	0.78	S	S	*	*			cis	-174.6	155.2	0.2	25.5	0	0	0	0	109
491	L	36.9	Very low	38.8	Very low	146 Å²	146	135.3 Å²	135.3	76%	0.764	78%	0.781	S	S	*	*			trans	57.4	139.3	139.9	-61.7	160.4	0	0	0	118.7
492	V	37.6	Very low	39	Very low	138 Å²	138	136.5 Å²	136.5	84%	0.836	79%	0.786	S	S	*	*				-166.1	145.6	68.9	164.6	0	0	0	0	111.1
493	Y	34.9	Very low	39.2	Very low	196 Å²	196	134.3 Å²	134.3	77%	0.769	79%	0.785	S	S	*	*			trans	-72.3	156	175.2	-108.5	-102.5	0	0	0	115.6
494	N	40.1	Very low	39.5	Very low	147 Å²	147	136.7 Å²	136.7	79%	0.786	79%	0.786	S	S	*	*				170.5	114.9	126.5	-97.4	-8.6	0	0	0	108.5
495	S	42.6	Very low	39.9	Very low	76 Å²	76	138.6 Å²	138.6	53%	0.531	78%	0.78	S	S	.	*				75.2	125	59.4	77.8	0	0	0	0	116
496	T	40.4	Very low	40.2	Very low	123 Å²	123	136.7 Å²	136.7	76%	0.755	77%	0.773	S	S	*	*			trans	71.9	141	153.9	24.1	0	0	0	0	117.5
497	T	44.8	Very low	40.8	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.724	78%	0.779	S	S	*	*			cis	-168.6	128.4	21.1	6.3	0	0	0	0	106.7
498	K	35.8	Very low	41	Very low	196 Å²	196	138.6 Å²	138.6	85%	0.852	79%	0.785	S	S	*	*				94.9	130.3	96.9	-148.8	-176.9	-166.3	-174	0	114.8
499	P	52.2	Low	41.2	Very low	124 Å²	124	139.1 Å²	139.1	81%	0.805	80%	0.799	S	S	*	*			trans	-99.4	154.9	169.9	37.3	-29.3	0	0	0	112.3
500	A	52.1	Low	41.6	Very low	179 Å²	179	140.3 Å²	140.3	100%	1.479	81%	0.811	S	S	*	*			trans	-156.5	0	152.2	0	0	0	0	0	108.3

Retrieved 500 of 500 residues in 204.2 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).