A0A087YE11_POEFO Loading...

Allantoate amidinohydrolase

AlphaFold DB , UniProt , Accession A0A087YE11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	32.4	Very low	250 Å²	250	151.8 Å²	151.8	100%	1.232	88%	0.877	S	S	*	*				0	113.5	0	-99.9	-178.3	164.8	0	0	107.3
2	G	33.6	Very low	32.2	Very low	71 Å²	71	147.1 Å²	147.1	73%	0.732	87%	0.87	S	S	*	*			trans	-83.5	164.2	-172.8	0	0	0	0	0	113.5
3	L	34.2	Very low	31.8	Very low	171 Å²	171	143.5 Å²	143.5	90%	0.895	87%	0.867	S	S	*	*			trans	-170	125.2	133.8	-104.5	144.6	0	0	0	109.3
4	L	31.5	Very low	31.6	Very low	156 Å²	156	140.7 Å²	140.7	82%	0.817	87%	0.866	S	S	*	*			trans	-65.2	148.1	166.8	-76	131	0	0	0	110.4
5	F	34.5	Very low	31.2	Very low	202 Å²	202	142.6 Å²	142.6	89%	0.886	87%	0.868	S	S	*	*			trans	-157.7	134.2	134	-108.8	-76.8	0	0	0	111.2
6	Q	31.5	Very low	30.8	Very low	187 Å²	187	140.9 Å²	140.9	87%	0.874	86%	0.858	S	S	*	*			trans	-72.5	157	176.3	-66.7	168.9	-39.5	0	0	111.6
7	G	29.8	Very low	30.4	Very low	69 Å²	69	144.5 Å²	144.5	71%	0.711	86%	0.859	S	S	*	*			trans	170.2	98.9	162.6	0	0	0	0	0	117.2
8	S	31	Very low	30	Very low	121 Å²	121	142.9 Å²	142.9	85%	0.846	86%	0.855	S	S	*	*			trans	55.6	116	150.1	70.7	0	0	0	0	120.9
9	A	32	Very low	29.9	Very low	113 Å²	113	141.8 Å²	141.8	93%	0.934	86%	0.855	S	S	*	*			trans	-71.1	119.2	160	0	0	0	0	0	111
10	G	30.3	Very low	29.8	Very low	73 Å²	73	140.5 Å²	140.5	75%	0.753	85%	0.85	S	S	*	*			trans	-125.6	110.3	164.5	0	0	0	0	0	108.7
11	R	32.6	Very low	29.7	Very low	257 Å²	257	141.7 Å²	141.7	97%	0.97	85%	0.85	S	S	*	*			trans	-75.7	129.3	177.3	-84.8	-178.9	171.4	-176.5	-2.7	110.3
12	A	29.6	Very low	29.3	Very low	95 Å²	95	141.6 Å²	141.6	79%	0.785	84%	0.837	S	S	*	*			trans	-91.1	141.3	171	0	0	0	0	0	112
13	A	27.2	Very low	29	Very low	101 Å²	101	147.6 Å²	147.6	84%	0.835	84%	0.842	S	S	*	*			trans	50.7	122.3	141.9	0	0	0	0	0	121.6
14	A	29.4	Very low	28.7	Very low	104 Å²	104	145.3 Å²	145.3	86%	0.86	84%	0.838	S	S	*	*				-170.6	136.4	116.4	0	0	0	0	0	111.2
15	L	24.8	Very low	28.6	Very low	169 Å²	169	149.3 Å²	149.3	89%	0.885	84%	0.842	S	S	*	*			trans	-83.3	161.4	178.5	-82.3	134.7	0	0	0	112.8
16	T	24.8	Very low	28.4	Very low	116 Å²	116	148.9 Å²	148.9	71%	0.712	84%	0.84	S	S	*	*			trans	104.5	108.6	138.8	-8.4	0	0	0	0	120.2
17	F	23.7	Very low	28.4	Very low	202 Å²	202	147.8 Å²	147.8	89%	0.886	84%	0.84	S	S	*	*			trans	46.5	122.4	140.6	-79.6	-105.4	0	0	0	121.9
18	C	24.4	Very low	28.4	Very low	116 Å²	116	147.9 Å²	147.9	78%	0.784	83%	0.83	S	S	*	*				-174.8	125.1	118.5	-143.5	0	0	0	0	112.4
19	S	26.9	Very low	28.6	Very low	122 Å²	122	152.9 Å²	152.9	85%	0.853	83%	0.83	S	S	*	*			trans	-174.5	108.6	146.6	-82.8	0	0	0	0	111.1
20	P	28.5	Very low	28.7	Very low	115 Å²	115	154.8 Å²	154.8	75%	0.747	82%	0.822	S	S	*	*			trans	-94.8	118	164.4	20.8	-5.8	0	0	0	111.6
21	L	26.9	Very low	29.3	Very low	165 Å²	165	155.7 Å²	155.7	86%	0.864	82%	0.822	S	S	*	*			trans	28.9	111.2	132.9	-69.1	155.9	0	0	0	118.1	K23	L21-K23 PolarHBondContact O-N 2.95Å
22	R	27.8	Very low	29.3	Very low	249 Å²	249	151.9 Å²	151.9	94%	0.94	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55	121.7	162	-88	177.2	169	177.8	-3.1	110.7
23	K	27.1	Very low	29.6	Very low	197 Å²	197	159.2 Å²	159.2	86%	0.857	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.8	142	163.8	-68.9	-179.7	179	177.1	0	110.1	L21	L21-K23 PolarHBondContact O-N 2.95Å
24	P	29.4	Very low	30.1	Very low	123 Å²	123	162.3 Å²	162.3	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.4	133.9	171.2	29.9	-30.2	0	0	0	109.9	K26	P24-K26 PolarHBondContact O-N 3.01Å
25	R	28.6	Very low	30.3	Very low	240 Å²	240	161.7 Å²	161.7	91%	0.906	81%	0.807	S	S	*	*			trans	-64.5	115.8	172.7	-80.1	179.2	170	176.5	-4.6	109.1	N27	R25-N27 PolarHBondContact O-N 3.33Å
26	K	29.3	Very low	31	Very low	192 Å²	192	160.6 Å²	160.6	84%	0.835	81%	0.808	S	S	*	*			trans	-67.5	104.2	165	-77.2	-179.8	174.3	-178.4	0	108.5	P24 S28	P24-K26 PolarHBondContact O-N 3.01Å; K26-S28 VanDerWaalsContact C-N 3.3Å; K26-S28 PolarHBondContact O-N 3.44Å
27	N	32.5	Very low	31.9	Very low	165 Å²	165	157.8 Å²	157.8	88%	0.882	80%	0.796	S	S	*	*			trans	-83.9	79.7	161.9	-85.3	-0	0	0	0	108.6	R25	R25-N27 PolarHBondContact O-N 3.33Å
28	S	29.9	Very low	33.5	Very low	71 Å²	71	152.7 Å²	152.7	50%	0.497	79%	0.792	S	S	.	*			trans	-111.5	109.5	155.8	57.2	0	0	0	0	105.8	K26 M30	K26-S28 VanDerWaalsContact C-N 3.3Å; K26-S28 PolarHBondContact O-N 3.44Å; S28-M30 PolarHBondContact O-N 3.48Å
29	R	35.6	Very low	35.7	Very low	226 Å²	226	151.8 Å²	151.8	85%	0.853	79%	0.793	S	S	*	*			trans	-64	83.9	169.7	-81.9	-178.7	174.2	-177.9	-1.8	107.8
30	M	34.5	Very low	38.4	Very low	153 Å²	153	150.8 Å²	150.8	75%	0.754	78%	0.775	S	S	*	*			trans	-66.5	149.2	158	-74	-172.1	-172.7	0	0	107.4	S28 E32	S28-M30 PolarHBondContact O-N 3.48Å; M30-E32 VanDerWaalsContact C-N 3.29Å; M30-E32 PolarHBondContact O-N 3.14Å
31	A	41.2	Very low	41.5	Very low	92 Å²	92	147 Å²	147	76%	0.76	75%	0.75	S	S	*	*			trans	-49.7	88.8	176.1	0	0	0	0	0	111.8	R33	A31-R33 PolarHBondContact O-N 3.01Å
32	E	33.9	Very low	44.7	Very low	177 Å²	177	143.3 Å²	143.3	83%	0.827	73%	0.731	S	S	*	*			trans	-69.1	113.3	163.4	-86.9	177.8	163.1	0	0	106.1	M30 R34	M30-E32 VanDerWaalsContact C-N 3.29Å; M30-E32 PolarHBondContact O-N 3.14Å; E32-R34 VanDerWaalsContact C-N 3.35Å; E32-R34 PolarHBondContact O-N 3.04Å
33	R	35.4	Very low	47.9	Very low	248 Å²	248	131.7 Å²	131.7	94%	0.936	69%	0.687	S	S	*	*			trans	-52.8	101.9	167.2	-77.4	179.6	169.5	-167.5	-3.5	107.6	A31 A35	A31-R33 PolarHBondContact O-N 3.01Å; R33-A35 PolarHBondContact O-N 3.37Å; R33-A35 VanDerWaalsContact O-N 3.12Å
34	R	36.5	Very low	51.2	Low	166 Å²	166	123.1 Å²	123.1	63%	0.626	65%	0.651	S	S	*	*			trans	-58.6	114.5	173.8	-79.6	-179	171.5	171.4	1.3	108.7	E32 T36 E40	E32-R34 VanDerWaalsContact C-N 3.35Å; E32-R34 PolarHBondContact O-N 3.04Å; R34-T36 PolarHBondContact O-N 3.34Å; R34-E40 IonicContact CZ-OE1 3.76Å; R34-E40 IonicContact NH1-OE1 2.67Å; R34-E40 PolarHBondContact NH1-OE1 2.74Å; R34-E40 IonicContact NH2-OE1 3.15Å
35	A	34.9	Very low	54.3	Low	91 Å²	91	120.5 Å²	120.5	75%	0.752	63%	0.628	S	S	*	*	S	Bend	trans	-68.9	118.9	164.8	0	0	0	0	0	108.3	R33 A37	R33-A35 PolarHBondContact O-N 3.37Å; R33-A35 VanDerWaalsContact O-N 3.12Å; A35-A37 PolarHBondContact O-N 3.33Å
36	T	38.3	Very low	57.5	Low	146 Å²	146	110.9 Å²	110.9	90%	0.896	59%	0.593	S	S	*	*	S	Bend	trans	36.5	61	168.6	55	0	0	0	0	115.6	R34	R34-T36 PolarHBondContact O-N 3.34Å
37	A	43.7	Very low	60.7	Low	57 Å²	57	102.4 Å²	102.4	47%	0.471	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-74.1	142.4	159.8	0	0	0	0	0	108.5	A35 A39	A35-A37 PolarHBondContact O-N 3.33Å; A37-A39 PolarHBondContact O-N 3.1Å
38	A	57.1	Low	63.8	Low	95 Å²	95	95.4 Å²	95.4	79%	0.785	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-47.1	137.1	158.7	0	0	0	0	0	108.1	E40	A38-E40 PolarHBondContact O-N 2.77Å; A38-E40 VanDerWaalsContact O-N 3.15Å
39	A	71.4	Confident	67	Low	98 Å²	98	92 Å²	92	81%	0.81	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-52.4	127.1	-177.4	0	0	0	0	0	109.2	A37	A37-A39 PolarHBondContact O-N 3.1Å
40	E	83.7	Confident	70	Confident	101 Å²	101	81.3 Å²	81.3	47%	0.472	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-54	141.6	176.2	-81.6	-172.5	161.3	0	0	109.8	R34 A38 D42 L44	R34-E40 IonicContact CZ-OE1 3.76Å; R34-E40 IonicContact NH1-OE1 2.67Å; R34-E40 PolarHBondContact NH1-OE1 2.74Å; R34-E40 IonicContact NH2-OE1 3.15Å; A38-E40 PolarHBondContact O-N 2.77Å; A38-E40 VanDerWaalsContact O-N 3.15Å; E40-D42 PolarHBondContact O-N 3.06Å; E40-L44 HydrophobicContact CB-CD1 4.13Å; E40-L44 HydrophobicContact CG-CD1 4.39Å
41	P	94.3	Very high	73	Confident	35 Å²	35	74.3 Å²	74.3	23%	0.227	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-55.1	133.5	179	-23.6	31.3	0	0	0	111.8	F43 L44 Y196	P41-F43 HydrophobicContact CB-CD1 3.59Å; P41-F43 HydrophobicContact CB-CD2 4.45Å; P41-F43 HydrophobicContact CB-CE1 3.31Å; P41-F43 HydrophobicContact CB-CE2 4.22Å; P41-F43 HydrophobicContact CB-CG 4.18Å; P41-F43 HydrophobicContact CB-CZ 3.67Å; P41-F43 HydrophobicContact CG-CE1 4.01Å; P41-F43 HydrophobicContact CG-CZ 4.03Å; P41-F43 PolarHBondContact O-N 2.97Å; P41-F43 VanDerWaalsContact O-N 3.15Å; P41-L44 HydrophobicContact CB-CG 4.32Å; P41-L44 VanDerWaalsContact O-CB 3.31Å; P41-L44 WeakPolarHBondContact O-CB 3.34Å; P41-L44 WeakPolarHBondContact O-CG 3.45Å; P41-L44 PolarHBondContact O-N 3.21Å; P41-Y196 HydrophobicContact CG-CD2 4.05Å; P41-Y196 HydrophobicContact CG-CG 3.98Å
42	D	92.9	Very high	75.6	Confident	88 Å²	88	74.1 Å²	74.1	47%	0.471	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-54.5	-31.6	178	62.3	-11.6	0	0	0	113.3	E40 L44 Q45 R198	E40-D42 PolarHBondContact O-N 3.06Å; D42-L44 PolarHBondContact O-N 3.4Å; D42-L44 VanDerWaalsContact O-N 3.15Å; D42-Q45 WeakPolarHBondContact O-CB 3.46Å; D42-Q45 VanDerWaalsContact O-CG 3.23Å; D42-Q45 WeakPolarHBondContact O-CG 3.48Å; D42-Q45 PolarHBondContact O-N 3.44Å; D42-Q45 VanDerWaalsContact O-N 3.11Å; D42-R198 IonicContact OD1-CZ 3.46Å; D42-R198 IonicContact OD1-NH1 3.91Å; D42-R198 PolarHBondContact OD1-NH1 2.8Å; D42-R198 IonicContact OD1-NH2 3.81Å; D42-R198 PolarHBondContact OD1-NH2 3.05Å; D42-R198 IonicContact OD2-CZ 2.76Å; D42-R198 IonicContact OD2-NH1 3.62Å; D42-R198 IonicContact OD2-NH2 3.74Å; D42-R198 PolarHBondContact OD2-NH2 3.11Å
43	F	95.7	Very high	78.5	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.018	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-65.6	-18.2	-179.8	66	-110.3	0	0	0	112.8	P41 Q45 F46 H119 Y196 R198 F224	P41-F43 HydrophobicContact CB-CD1 3.59Å; P41-F43 HydrophobicContact CB-CD2 4.45Å; P41-F43 HydrophobicContact CB-CE1 3.31Å; P41-F43 HydrophobicContact CB-CE2 4.22Å; P41-F43 HydrophobicContact CB-CG 4.18Å; P41-F43 HydrophobicContact CB-CZ 3.67Å; P41-F43 HydrophobicContact CG-CE1 4.01Å; P41-F43 HydrophobicContact CG-CZ 4.03Å; P41-F43 PolarHBondContact O-N 2.97Å; P41-F43 VanDerWaalsContact O-N 3.15Å; F43-Q45 PolarHBondContact O-N 2.97Å; F43-F46 HydrophobicContact CB-CD2 4.1Å; F43-F46 HydrophobicContact CB-CE2 4.42Å; F43-F46 WeakPolarHBondContact O-CD2 3.42Å; F43-F46 PolarHBondContact O-N 2.97Å; F43-F46 VanDerWaalsContact O-N 3.1Å; F43-H119 HydrophobicContact CB-CB 3.87Å; F43-Y196 HydrophobicContact CE2-CD1 4.43Å; F43-Y196 HydrophobicContact CZ-CD1 4.34Å; F43-Y196 HydrophobicContact CZ-CG 4.5Å; F43-R198 HydrophobicContact CE1-CB 4.29Å; F43-F224 HydrophobicContact CD2-CB 3.96Å; F43-F224 AromaticContact CD2-CD2 3.73Å; F43-F224 HydrophobicContact CD2-CD2 3.73Å; F43-F224 HydrophobicContact CD2-CG 4.1Å; F43-F224 AromaticContact CE2-CD2 3.84Å; F43-F224 HydrophobicContact CE2-CD2 3.84Å; F43-F224 HydrophobicContact CE2-CE2 4.43Å; F43-F224 VanDerWaalsContact O-CB 3.31Å; F43-F224 WeakPolarHBondContact O-CB 3.41Å
44	L	95.6	Very high	81.3	Confident	18 Å²	18	57 Å²	57	9%	0.094	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-65.6	-5.7	174.2	-61.2	-172.9	0	0	0	113	E40 P41 D42 Y196 F224 R263	E40-L44 HydrophobicContact CB-CD1 4.13Å; E40-L44 HydrophobicContact CG-CD1 4.39Å; P41-L44 HydrophobicContact CB-CG 4.32Å; P41-L44 VanDerWaalsContact O-CB 3.31Å; P41-L44 WeakPolarHBondContact O-CB 3.34Å; P41-L44 WeakPolarHBondContact O-CG 3.45Å; P41-L44 PolarHBondContact O-N 3.21Å; D42-L44 PolarHBondContact O-N 3.4Å; D42-L44 VanDerWaalsContact O-N 3.15Å; L44-Y196 HydrophobicContact CD1-CE1 3.92Å; L44-Y196 HydrophobicContact CD2-CD1 4.06Å; L44-Y196 HydrophobicContact CD2-CE1 3.75Å; L44-Y196 HydrophobicContact CG-CE1 4.43Å; L44-F224 HydrophobicContact CD2-CD2 3.76Å; L44-F224 HydrophobicContact CD2-CE1 4.5Å; L44-F224 HydrophobicContact CD2-CE2 3.29Å; L44-F224 HydrophobicContact CD2-CZ 3.71Å; L44-R263 PolarHBondContact O-NH1 3.46Å
45	Q	94.4	Very high	84.1	Confident	67 Å²	67	50.7 Å²	50.7	31%	0.313	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-84.1	-19.7	174.2	-56	-60.1	-55.5	0	0	112.9	D42 F43 Y254 H261	D42-Q45 WeakPolarHBondContact O-CB 3.46Å; D42-Q45 VanDerWaalsContact O-CG 3.23Å; D42-Q45 WeakPolarHBondContact O-CG 3.48Å; D42-Q45 PolarHBondContact O-N 3.44Å; D42-Q45 VanDerWaalsContact O-N 3.11Å; F43-Q45 PolarHBondContact O-N 2.97Å; Q45-Y254 PolarHBondContact OE1-OH 2.97Å; Q45-H261 PolarHBondContact OE1-NE2 3.25Å; Q45-H261 VanDerWaalsContact OE1-NE2 3.16Å
46	F	96.8	Very high	87.1	Confident	39 Å²	39	46.6 Å²	46.6	17%	0.171	29%	0.293	C	S	.	.	S	Bend	trans	-78.8	168.7	178.1	-63.7	-64.4	0	0	0	112.3	F43 H119 F224 V226 V250 R263	F43-F46 HydrophobicContact CB-CD2 4.1Å; F43-F46 HydrophobicContact CB-CE2 4.42Å; F43-F46 WeakPolarHBondContact O-CD2 3.42Å; F43-F46 PolarHBondContact O-N 2.97Å; F43-F46 VanDerWaalsContact O-N 3.1Å; F46-H119 HydrophobicContact CD2-CB 3.78Å; F46-H119 AromaticContact CD2-CG 3.89Å; F46-H119 HydrophobicContact CE2-CB 3.8Å; F46-H119 AromaticContact CE2-CG 3.59Å; F46-H119 AromaticContact CE2-ND1 3.66Å; F46-F224 HydrophobicContact CB-CB 4.32Å; F46-F224 WeakPolarHBondContact O-CD1 3.48Å; F46-V226 HydrophobicContact CD1-CG2 3.64Å; F46-V226 HydrophobicContact CE1-CG2 3.7Å; F46-V226 HydrophobicContact CG-CG2 4.46Å; F46-V250 HydrophobicContact CD1-CG1 3.95Å; F46-V250 HydrophobicContact CE1-CG1 3.87Å; F46-R263 WeakPolarHBondContact O-CD 3.48Å; F46-R263 PolarHBondContact O-NH1 3.25Å
47	N	96.1	Very high	89.9	Confident	14 Å²	14	45.7 Å²	45.7	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	156.4	178.9	-67.8	31	0	0	0	111.8	L49 F224 G225 L245 R263	N47-L49 PolarHBondContact O-N 3.36Å; N47-F224 WeakPolarHBondContact O-CA 3.41Å; N47-G225 PolarHBondContact O-N 2.97Å; N47-L245 HydrophobicContact CB-CD1 3.15Å; N47-L245 HydrophobicContact CB-CG 4.42Å; N47-L245 WeakPolarHBondContact ND2-CD1 3.1Å; N47-R263 PolarHBondContact ND2-O 3.1Å; N47-R263 WeakPolarHBondContact OD1-CB 3.37Å; N47-R263 VanDerWaalsContact OD1-CG 3.32Å; N47-R263 WeakPolarHBondContact OD1-CG 3.32Å
48	D	97.6	Very high	92.4	Very high	18 Å²	18	44 Å²	44	10%	0.096	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	104.6	172.5	-178.3	9.8	0	0	0	110.7	A50 C51 R222 V223	D48-A50 VanDerWaalsContact C-N 3.27Å; D48-A50 PolarHBondContact O-N 3.42Å; D48-A50 PolarHBondContact OD1-N 2.63Å; D48-A50 VanDerWaalsContact OD1-N 3.17Å; D48-C51 HydrophobicContact CB-CB 4.15Å; D48-C51 PolarHBondContact O-N 3.42Å; D48-R222 WeakPolarHBondContact OD2-CD 3.03Å; D48-R222 IonicContact OD2-CZ 3.63Å; D48-R222 IonicContact OD2-NE 3.6Å; D48-R222 IonicContact OD2-NH1 3.68Å; D48-R222 PolarHBondContact OD2-NH1 3.43Å; D48-V223 CarbonylContact C-O 3.59Å; D48-V223 WeakPolarHBondContact CA-O 3.21Å; D48-V223 PolarHBondContact OD1-N 3.19Å
49	L	98.4	Very high	94.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.7	-177.7	-57.8	-175.2	0	0	0	113.2	N47 L112 G113 V114 V223 L245	N47-L49 PolarHBondContact O-N 3.36Å; L49-L112 HydrophobicContact CB-CD1 4.45Å; L49-G113 PolarHBondContact O-N 3.31Å; L49-V114 HydrophobicContact CD2-CB 3.99Å; L49-V114 HydrophobicContact CD2-CG1 4.16Å; L49-V114 PolarHBondContact O-N 2.96Å; L49-V223 PolarHBondContact N-O 3.18Å; L49-L245 HydrophobicContact CD2-CD1 4.12Å
50	A	98.3	Very high	95.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-4.8	179.6	0	0	0	0	0	113.2	D48 E52 G56 L73 I110 L112 V223	D48-A50 VanDerWaalsContact C-N 3.27Å; D48-A50 PolarHBondContact O-N 3.42Å; D48-A50 PolarHBondContact OD1-N 2.63Å; D48-A50 VanDerWaalsContact OD1-N 3.17Å; A50-E52 PolarHBondContact O-N 2.95Å; A50-G56 WeakPolarHBondContact O-CA 3.11Å; A50-L73 HydrophobicContact CB-CD2 4.04Å; A50-L73 WeakPolarHBondContact O-CB 3.38Å; A50-I110 HydrophobicContact CB-CG2 4.43Å; A50-L112 HydrophobicContact CB-CD2 3.72Å; A50-V223 HydrophobicContact CB-CB 3.82Å; A50-V223 HydrophobicContact CB-CG2 3.41Å; A50-V223 VanDerWaalsContact CB-CG2 3.41Å
51	C	97.3	Very high	96.2	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.041	17%	0.165	C	C	.	.			trans	-58.7	135.6	-176.3	-172.7	0	0	0	0	112.1	D48 T53 E54 G55 G56 L73	D48-C51 HydrophobicContact CB-CB 4.15Å; D48-C51 PolarHBondContact O-N 3.42Å; C51-T53 PolarHBondContact O-N 2.84Å; C51-T53 PolarHBondContact SG-OG1 2.98Å; C51-E54 HydrophobicContact CB-CG 4.22Å; C51-E54 PolarHBondContact O-N 2.94Å; C51-G55 PolarHBondContact O-N 3.36Å; C51-G56 PolarHBondContact O-N 3.02Å; C51-L73 WeakPolarHBondContact CA-O 3.46Å
52	E	95.9	Very high	96.4	Very high	88 Å²	88	29.9 Å²	29.9	41%	0.411	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-57.1	-36.8	-179.1	71.1	-174.2	165.2	0	0	112.4	A50 E54 G55 L73 K74	A50-E52 PolarHBondContact O-N 2.95Å; E52-E54 PolarHBondContact O-N 3.33Å; E52-G55 WeakPolarHBondContact O-CA 3.46Å; E52-G55 PolarHBondContact O-N 3.28Å; E52-L73 HydrophobicContact CB-CB 4.25Å; E52-L73 PolarHBondContact N-O 3.28Å; E52-K74 WeakPolarHBondContact OE1-CA 3.24Å
53	T	94.1	Very high	96.6	Very high	54 Å²	54	26.1 Å²	26.1	33%	0.331	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-69.2	-20.9	179.8	59.8	0	0	0	0	113.1	C51 G55 R75	C51-T53 PolarHBondContact O-N 2.84Å; C51-T53 PolarHBondContact SG-OG1 2.98Å; T53-G55 VanDerWaalsContact C-N 3.34Å; T53-R75 HydrophobicContact CG2-CB 4.1Å; T53-R75 PolarHBondContact OG1-NE 2.91Å; T53-R75 PolarHBondContact OG1-NH2 2.91Å
54	E	94.3	Very high	96.7	Very high	11 Å²	11	26.4 Å²	26.4	5%	0.051	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-92.9	0.1	173.4	-56	-55	151.7	0	0	112.1	C51 E52 R75 G113 V114 L245 R268	C51-E54 HydrophobicContact CB-CG 4.22Å; C51-E54 PolarHBondContact O-N 2.94Å; E52-E54 PolarHBondContact O-N 3.33Å; E54-R75 IonicContact OE1-NH2 2.84Å; E54-R75 PolarHBondContact OE1-NH2 3.1Å; E54-G113 CarbonylContact O-C 3.5Å; E54-G113 VanDerWaalsContact O-CA 3.31Å; E54-G113 WeakPolarHBondContact O-CA 3.38Å; E54-G113 VanDerWaalsContact O-O 3.09Å; E54-V114 HydrophobicContact CB-CG2 4.3Å; E54-L245 HydrophobicContact CB-CD2 4.25Å; E54-L245 VanDerWaalsContact CD-CD2 3.43Å; E54-L245 HydrophobicContact CG-CD2 3.69Å; E54-L245 WeakPolarHBondContact OE2-CD2 3.5Å; E54-R268 PolarHBondContact O-NE 3.44Å; E54-R268 PolarHBondContact O-NH2 2.86Å; E54-R268 PolarHBondContact OE1-N 3.21Å; E54-R268 VanDerWaalsContact OE2-CB 3.3Å; E54-R268 WeakPolarHBondContact OE2-CB 3.23Å; E54-R268 WeakPolarHBondContact OE2-CG 3.39Å; E54-R268 PolarHBondContact OE2-N 2.91Å; E54-R268 VanDerWaalsContact OE2-N 3.07Å; E54-R268 IonicContact OE2-NE 3.07Å
55	G	95.3	Very high	96.8	Very high	34 Å²	34	29.3 Å²	29.3	35%	0.351	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.4	7.5	177.2	0	0	0	0	0	114.7	C51 E52 T53	C51-G55 PolarHBondContact O-N 3.36Å; E52-G55 WeakPolarHBondContact O-CA 3.46Å; E52-G55 PolarHBondContact O-N 3.28Å; T53-G55 VanDerWaalsContact C-N 3.34Å
56	G	97.2	Very high	97	Very high	6 Å²	6	28.5 Å²	28.5	6%	0.062	15%	0.146	C	C	.	.			trans	-66	142.1	179.8	0	0	0	0	0	112.4	A50 C51 Q111 G113	A50-G56 WeakPolarHBondContact O-CA 3.11Å; C51-G56 PolarHBondContact O-N 3.02Å; G56-Q111 WeakPolarHBondContact CA-O 3.35Å; G56-G113 VanDerWaalsContact N-CA 3.27Å
57	K	96.9	Very high	97.1	Very high	126 Å²	126	26.7 Å²	26.7	55%	0.548	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.5	-174.2	-64.7	179.1	-174.1	-178.5	0	111.4	I59 I110 Q111	K57-I59 HydrophobicContact CB-CG2 4.4Å; K57-I110 CarbonylContact O-C 3.59Å; K57-I110 WeakPolarHBondContact O-CA 3.36Å; K57-Q111 PolarHBondContact N-O 3.14Å; K57-Q111 PolarHBondContact O-N 2.96Å
58	V	97.3	Very high	97.1	Very high	23 Å²	23	26.5 Å²	26.5	14%	0.139	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.4	161.7	-179.6	0	0	0	0	107.8	F60 A61 A69 L73 C108 I109 I110	V58-F60 VanDerWaalsContact CG1-O 3.29Å; V58-F60 WeakPolarHBondContact CG1-O 3.48Å; V58-A61 HydrophobicContact CG1-CB 4.43Å; V58-A69 HydrophobicContact CB-CB 4.44Å; V58-A69 HydrophobicContact CG1-CB 3.89Å; V58-A69 HydrophobicContact CG2-CB 4.11Å; V58-A69 WeakPolarHBondContact CG2-O 3.03Å; V58-L73 HydrophobicContact CG2-CD1 3.99Å; V58-L73 HydrophobicContact CG2-CG 4.3Å; V58-C108 HydrophobicContact CG1-CB 4.19Å; V58-I109 WeakPolarHBondContact CA-O 3.28Å; V58-I110 HydrophobicContact CG2-CG1 4.27Å
59	I	96.4	Very high	97.1	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.067	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-11.8	-179.2	66	171.4	0	0	0	112.4	K57 I109 Q111 L146 P147 F149 P151	K57-I59 HydrophobicContact CB-CG2 4.4Å; I59-I109 HydrophobicContact CD1-CB 4.29Å; I59-I109 HydrophobicContact CD1-CG2 3.65Å; I59-I109 HydrophobicContact CG1-CB 3.77Å; I59-I109 HydrophobicContact CG1-CG2 3.62Å; I59-I109 PolarHBondContact N-O 2.74Å; I59-Q111 HydrophobicContact CG2-CB 3.91Å; I59-L146 HydrophobicContact CD1-CD2 3.84Å; I59-P147 HydrophobicContact CD1-CG 4.41Å; I59-F149 WeakPolarHBondContact O-CE2 3.22Å; I59-P151 WeakPolarHBondContact O-CG 3.26Å
60	F	97.6	Very high	97.1	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	145.8	175.3	172.7	-95	0	0	0	110.8	V58 T62 W107 C108 I109 F149 A160 Q164 I165 V168	V58-F60 VanDerWaalsContact CG1-O 3.29Å; V58-F60 WeakPolarHBondContact CG1-O 3.48Å; F60-T62 HydrophobicContact CE1-CG2 3.87Å; F60-T62 HydrophobicContact CZ-CG2 4.05Å; F60-W107 AromaticContact CD1-CE3 3.83Å; F60-W107 HydrophobicContact CD1-CE3 3.83Å; F60-W107 AromaticContact CD1-CH2 3.65Å; F60-W107 HydrophobicContact CD1-CH2 3.65Å; F60-W107 HydrophobicContact CD1-CZ2 4.34Å; F60-W107 AromaticContact CD1-CZ3 3.37Å; F60-W107 HydrophobicContact CD1-CZ3 3.37Å; F60-W107 AromaticContact CE1-CD2 3.99Å; F60-W107 HydrophobicContact CE1-CD2 3.99Å; F60-W107 AromaticContact CE1-CE2 3.88Å; F60-W107 AromaticContact CE1-CE3 3.73Å; F60-W107 HydrophobicContact CE1-CE3 3.73Å; F60-W107 AromaticContact CE1-CH2 3.25Å; F60-W107 HydrophobicContact CE1-CH2 3.25Å; F60-W107 AromaticContact CE1-CZ2 3.52Å; F60-W107 HydrophobicContact CE1-CZ2 3.52Å; F60-W107 AromaticContact CE1-CZ3 3.38Å; F60-W107 HydrophobicContact CE1-CZ3 3.38Å; F60-W107 HydrophobicContact CZ-CH2 4.02Å; F60-W107 HydrophobicContact CZ-CZ2 4.08Å; F60-C108 CarbonylContact O-C 3.49Å; F60-C108 WeakPolarHBondContact O-CA 3.09Å; F60-C108 WeakPolarHBondContact O-CB 3.33Å; F60-I109 HydrophobicContact CB-CB 4.27Å; F60-I109 HydrophobicContact CB-CG1 4.33Å; F60-I109 HydrophobicContact CD1-CG1 4.32Å; F60-I109 PolarHBondContact N-O 2.91Å; F60-I109 PolarHBondContact O-N 2.89Å; F60-F149 HydrophobicContact CB-CZ 4.27Å; F60-F149 AromaticContact CD2-CZ 3.86Å; F60-F149 HydrophobicContact CD2-CZ 3.86Å; F60-A160 HydrophobicContact CE2-CB 3.57Å; F60-A160 HydrophobicContact CZ-CB 3.85Å; F60-Q164 HydrophobicContact CE2-CB 4.42Å; F60-I165 HydrophobicContact CE2-CD1 4.14Å; F60-I165 HydrophobicContact CZ-CD1 3.6Å; F60-V168 HydrophobicContact CB-CG1 3.76Å; F60-V168 HydrophobicContact CD1-CG1 4.38Å; F60-V168 HydrophobicContact CD1-CG2 4.08Å; F60-V168 HydrophobicContact CD2-CB 4.3Å; F60-V168 HydrophobicContact CD2-CG1 3.9Å; F60-V168 HydrophobicContact CD2-CG2 3.44Å; F60-V168 VanDerWaalsContact CD2-CG2 3.44Å; F60-V168 HydrophobicContact CE1-CG2 4.06Å; F60-V168 HydrophobicContact CE2-CG2 3.38Å; F60-V168 HydrophobicContact CG-CB 4.3Å; F60-V168 HydrophobicContact CG-CG1 3.73Å; F60-V168 HydrophobicContact CG-CG2 3.8Å; F60-V168 HydrophobicContact CZ-CG2 3.73Å
61	A	97.9	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	142.4	166.6	0	0	0	0	0	109.4	V58 E64 A69 W107 C108	V58-A61 HydrophobicContact CG1-CB 4.43Å; A61-E64 HydrophobicContact CB-CG 3.75Å; A61-A69 HydrophobicContact CB-CB 3.9Å; A61-W107 WeakPolarHBondContact CA-O 3.33Å; A61-C108 HydrophobicContact CB-CB 3.87Å
62	T	98	Very high	97.2	Very high	18 Å²	18	30 Å²	30	11%	0.11	15%	0.152	C	C	.	.	S	Bend	trans	-66.1	-41.2	179.1	50.2	0	0	0	0	112.6	F60 D106 W107 A159 A160	F60-T62 HydrophobicContact CE1-CG2 3.87Å; F60-T62 HydrophobicContact CZ-CG2 4.05Å; T62-D106 WeakPolarHBondContact OG1-CA 3.26Å; T62-D106 WeakPolarHBondContact OG1-CB 3.47Å; T62-D106 PolarHBondContact OG1-OD1 2.93Å; T62-W107 VanDerWaalsContact CG2-CD1 3.42Å; T62-W107 HydrophobicContact CG2-CD2 3.96Å; T62-W107 HydrophobicContact CG2-CG 3.86Å; T62-W107 HydrophobicContact CG2-CZ2 4.25Å; T62-W107 PolarHBondContact N-O 2.96Å; T62-W107 PolarHBondContact OG1-N 3.06Å; T62-W107 VanDerWaalsContact OG1-N 3.1Å; T62-W107 PolarHBondContact OG1-O 2.98Å; T62-A159 WeakPolarHBondContact O-CA 3.35Å; T62-A160 PolarHBondContact O-N 2.9Å
63	D	98.1	Very high	97.3	Very high	8 Å²	8	26 Å²	26	4%	0.043	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	140	-176.1	-168.6	-90.4	0	0	0	109.6	W65 W95 T97 R98	D63-W65 VanDerWaalsContact OD1-CB 3.31Å; D63-W65 WeakPolarHBondContact OD1-CB 3.42Å; D63-W65 PolarHBondContact OD1-N 3.47Å; D63-W65 VanDerWaalsContact OD1-N 3.17Å; D63-W95 PolarHBondContact O-NE1 3.14Å; D63-T97 HydrophobicContact CB-CG2 3.98Å; D63-T97 VanDerWaalsContact O-CG2 3.31Å; D63-T97 WeakPolarHBondContact O-CG2 3.23Å; D63-T97 VanDerWaalsContact OD1-CA 3.29Å; D63-T97 WeakPolarHBondContact OD1-CA 3.22Å; D63-T97 WeakPolarHBondContact OD1-CB 3.42Å; D63-R98 PolarHBondContact OD1-N 3.24Å; D63-R98 IonicContact OD1-NE 2.88Å; D63-R98 IonicContact OD2-CZ 3.23Å; D63-R98 IonicContact OD2-NE 3.83Å; D63-R98 PolarHBondContact OD2-NE 2.67Å; D63-R98 IonicContact OD2-NH2 3.03Å; D63-R98 PolarHBondContact OD2-NH2 2.97Å
64	E	97.7	Very high	97.4	Very high	10 Å²	10	26 Å²	26	5%	0.047	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	35.6	179.9	-73	-178.7	98	0	0	110.1	A61 P68 A69 R155 T156 G157 M158	A61-E64 HydrophobicContact CB-CG 3.75Å; E64-P68 WeakPolarHBondContact OE1-CA 3.33Å; E64-P68 WeakPolarHBondContact OE1-CB 3.27Å; E64-A69 HydrophobicContact CG-CB 4.13Å; E64-A69 WeakPolarHBondContact OE1-CB 3.43Å; E64-A69 PolarHBondContact OE1-N 3.01Å; E64-R155 HydrophobicContact CB-CB 4.22Å; E64-R155 WeakPolarHBondContact CB-O 3.38Å; E64-R155 WeakPolarHBondContact OE2-CB 3.18Å; E64-R155 WeakPolarHBondContact OE2-CD 3.39Å; E64-R155 IonicContact OE2-CZ 2.74Å; E64-R155 IonicContact OE2-NE 3.53Å; E64-R155 PolarHBondContact OE2-NE 3.41Å; E64-T156 VanDerWaalsContact O-CA 3.3Å; E64-T156 WeakPolarHBondContact O-CA 3.14Å; E64-G157 PolarHBondContact O-N 2.75Å; E64-G157 VanDerWaalsContact O-N 3.14Å; E64-M158 PolarHBondContact N-O 2.73Å
65	W	97.8	Very high	97.5	Very high	79 Å²	79	27.6 Å²	27.6	30%	0.299	14%	0.135	S	C	.	.	S	Bend	trans	-64.1	-50.3	-167.2	-174.8	-87.3	0	0	0	114.4	D63 F88 R98 G157	D63-W65 VanDerWaalsContact OD1-CB 3.31Å; D63-W65 WeakPolarHBondContact OD1-CB 3.42Å; D63-W65 PolarHBondContact OD1-N 3.47Å; D63-W65 VanDerWaalsContact OD1-N 3.17Å; W65-F88 HydrophobicContact CZ2-CD1 4.28Å; W65-F88 VanDerWaalsContact O-CB 3.3Å; W65-F88 WeakPolarHBondContact O-CB 3.22Å; W65-R98 HydrophobicContact CB-CB 4.44Å; W65-R98 HydrophobicContact CB-CG 3.43Å; W65-R98 VanDerWaalsContact CB-CG 3.43Å; W65-R98 HydrophobicContact CD2-CG 3.65Å; W65-R98 VanDerWaalsContact CE3-CD 3.42Å; W65-R98 HydrophobicContact CE3-CG 4.19Å; W65-R98 VanDerWaalsContact CE3-CZ 3.46Å; W65-R98 VanDerWaalsContact CE3-NE 3.31Å; W65-R98 HydrophobicContact CG-CG 3.29Å; W65-G157 WeakPolarHBondContact CZ3-O 3.43Å; W65-G157 WeakPolarHBondContact O-CA 3.4Å; W65-G157 PolarHBondContact O-N 2.78Å
66	F	98.1	Very high	97.5	Very high	50 Å²	50	29.9 Å²	29.9	22%	0.219	14%	0.136	C	C	.	.	S	Bend	trans	-88.9	-38.3	-175.8	-67.9	-68.2	0	0	0	111.9	F88 E96 T97	F66-F88 WeakPolarHBondContact CD1-O 3.38Å; F66-F88 WeakPolarHBondContact CE1-O 3.26Å; F66-E96 HydrophobicContact CB-CB 3.83Å; F66-E96 HydrophobicContact CB-CG 3.8Å; F66-E96 WeakPolarHBondContact CB-OE2 3.37Å; F66-E96 HydrophobicContact CD2-CG 3.95Å; F66-E96 HydrophobicContact CG-CG 4.26Å; F66-E96 PolarHBondContact N-O 2.92Å; F66-E96 VanDerWaalsContact N-O 3.12Å; F66-T97 VanDerWaalsContact CD2-O 3.31Å; F66-T97 WeakPolarHBondContact CD2-O 3.34Å
67	A	97.9	Very high	97.4	Very high	2 Å²	2	34 Å²	34	2%	0.017	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-152.7	140.4	177.5	0	0	0	0	0	112	M92 G94 E96	A67-M92 HydrophobicContact CB-CB 4.17Å; A67-M92 WeakPolarHBondContact CB-O 3.39Å; A67-G94 WeakPolarHBondContact CB-O 3.38Å; A67-E96 HydrophobicContact CB-CB 4.12Å; A67-E96 PolarHBondContact N-O 2.85Å; A67-E96 PolarHBondContact O-N 3.04Å
68	P	97.4	Very high	97.4	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.058	14%	0.14	C	C	.	.			trans	-77.2	142.6	-171.1	30.6	-35.7	0	0	0	112.9	E64 K70 N71 T156	E64-P68 WeakPolarHBondContact OE1-CA 3.33Å; E64-P68 WeakPolarHBondContact OE1-CB 3.27Å; P68-K70 HydrophobicContact CB-CG 4.2Å; P68-K70 HydrophobicContact CG-CG 4.27Å; P68-K70 PolarHBondContact O-N 2.84Å; P68-N71 WeakPolarHBondContact CD-ND2 3.49Å; P68-N71 WeakPolarHBondContact O-CB 3.19Å; P68-N71 PolarHBondContact O-N 3.25Å; P68-N71 VanDerWaalsContact O-N 3.1Å; P68-N71 PolarHBondContact O-ND2 2.79Å; P68-T156 WeakPolarHBondContact CD-OG1 3.41Å
69	A	98.2	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-60.5	-27.2	-177.4	0	0	0	0	0	113.4	V58 A61 E64 N71 L72 W95	V58-A69 HydrophobicContact CB-CB 4.44Å; V58-A69 HydrophobicContact CG1-CB 3.89Å; V58-A69 HydrophobicContact CG2-CB 4.11Å; V58-A69 WeakPolarHBondContact CG2-O 3.03Å; A61-A69 HydrophobicContact CB-CB 3.9Å; E64-A69 HydrophobicContact CG-CB 4.13Å; E64-A69 WeakPolarHBondContact OE1-CB 3.43Å; E64-A69 PolarHBondContact OE1-N 3.01Å; A69-N71 PolarHBondContact O-N 2.96Å; A69-L72 HydrophobicContact CB-CD1 4.38Å; A69-L72 VanDerWaalsContact O-CB 3.25Å; A69-L72 WeakPolarHBondContact O-CB 3.47Å; A69-L72 WeakPolarHBondContact O-CD1 3.42Å; A69-L72 WeakPolarHBondContact O-CG 3.49Å; A69-L72 PolarHBondContact O-N 2.96Å; A69-W95 HydrophobicContact CB-CB 4.39Å; A69-W95 HydrophobicContact CB-CD2 4.04Å; A69-W95 HydrophobicContact CB-CG 3.77Å
70	K	97.3	Very high	97.4	Very high	87 Å²	87	36.8 Å²	36.8	38%	0.378	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-54.4	-28.2	174.9	71.3	-178.4	178.5	-178.6	0	113.1	P68 L72 L73 E153	P68-K70 HydrophobicContact CB-CG 4.2Å; P68-K70 HydrophobicContact CG-CG 4.27Å; P68-K70 PolarHBondContact O-N 2.84Å; K70-L72 PolarHBondContact O-N 3.21Å; K70-L73 PolarHBondContact O-N 3.31Å; K70-E153 WeakPolarHBondContact CD-O 3.11Å; K70-E153 WeakPolarHBondContact CE-O 3.3Å; K70-E153 PolarHBondContact NZ-O 3.46Å
71	N	98	Very high	97.4	Very high	11 Å²	11	39.9 Å²	39.9	6%	0.059	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.8	178.4	-68.5	-26.2	0	0	0	113.1	P68 A69 L73 K74 G94 R220	P68-N71 WeakPolarHBondContact CD-ND2 3.49Å; P68-N71 WeakPolarHBondContact O-CB 3.19Å; P68-N71 PolarHBondContact O-N 3.25Å; P68-N71 VanDerWaalsContact O-N 3.1Å; P68-N71 PolarHBondContact O-ND2 2.79Å; A69-N71 PolarHBondContact O-N 2.96Å; N71-L73 PolarHBondContact O-N 2.97Å; N71-K74 HydrophobicContact CB-CD 4.28Å; N71-K74 PolarHBondContact O-N 3.08Å; N71-K74 WeakPolarHBondContact OD1-CE 3.19Å; N71-K74 PolarHBondContact OD1-NZ 2.95Å; N71-G94 WeakPolarHBondContact CB-O 3.43Å; N71-G94 PolarHBondContact ND2-O 3.2Å; N71-R220 WeakPolarHBondContact O-CD 3.44Å; N71-R220 PolarHBondContact O-NH1 3.35Å; N71-R220 VanDerWaalsContact O-NH1 3.17Å
72	L	98.8	Very high	97.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-55.4	-33.6	175.6	-67.2	167.4	0	0	0	112.2	A69 K70 W95 L210 I218 R220 L221	A69-L72 HydrophobicContact CB-CD1 4.38Å; A69-L72 VanDerWaalsContact O-CB 3.25Å; A69-L72 WeakPolarHBondContact O-CB 3.47Å; A69-L72 WeakPolarHBondContact O-CD1 3.42Å; A69-L72 WeakPolarHBondContact O-CG 3.49Å; A69-L72 PolarHBondContact O-N 2.96Å; K70-L72 PolarHBondContact O-N 3.21Å; L72-W95 HydrophobicContact CD1-CB 4.07Å; L72-W95 HydrophobicContact CD1-CD2 4.28Å; L72-W95 HydrophobicContact CD1-CE3 3.83Å; L72-W95 HydrophobicContact CD1-CG 4.41Å; L72-W95 HydrophobicContact CD2-CB 3.88Å; L72-W95 HydrophobicContact CG-CB 3.82Å; L72-L210 HydrophobicContact CD1-CD2 3.82Å; L72-L210 HydrophobicContact CD2-CD2 4.42Å; L72-I218 HydrophobicContact CD2-CB 3.86Å; L72-I218 HydrophobicContact CD2-CG2 3.54Å; L72-R220 WeakPolarHBondContact O-CA 3.49Å; L72-L221 HydrophobicContact CB-CB 4.36Å; L72-L221 PolarHBondContact O-N 2.9Å
73	L	98.5	Very high	97.2	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-97.2	-1.1	-168.1	-50.7	-172.8	0	0	0	113.2	A50 C51 E52 V58 K70 N71 R75 I110	A50-L73 HydrophobicContact CB-CD2 4.04Å; A50-L73 WeakPolarHBondContact O-CB 3.38Å; C51-L73 WeakPolarHBondContact CA-O 3.46Å; E52-L73 HydrophobicContact CB-CB 4.25Å; E52-L73 PolarHBondContact N-O 3.28Å; V58-L73 HydrophobicContact CG2-CD1 3.99Å; V58-L73 HydrophobicContact CG2-CG 4.3Å; K70-L73 PolarHBondContact O-N 3.31Å; N71-L73 PolarHBondContact O-N 2.97Å; L73-R75 PolarHBondContact O-N 2.89Å; L73-I110 HydrophobicContact CD1-CG2 4.03Å; L73-I110 HydrophobicContact CD2-CD1 4.32Å; L73-I110 HydrophobicContact CD2-CG2 3.9Å
74	K	97.8	Very high	97.1	Very high	54 Å²	54	49.2 Å²	49.2	24%	0.235	26%	0.257	C	S	.	.			trans	-57.5	136.1	-179.6	-82	173	169.5	168.6	0	111.1	E52 N71 E76 D93 R222	E52-K74 WeakPolarHBondContact OE1-CA 3.24Å; N71-K74 HydrophobicContact CB-CD 4.28Å; N71-K74 PolarHBondContact O-N 3.08Å; N71-K74 WeakPolarHBondContact OD1-CE 3.19Å; N71-K74 PolarHBondContact OD1-NZ 2.95Å; K74-E76 VanDerWaalsContact C-N 3.31Å; K74-E76 PolarHBondContact O-N 2.94Å; K74-D93 WeakPolarHBondContact CD-OD1 3.38Å; K74-D93 IonicContact NZ-OD1 3.69Å; K74-D93 PolarHBondContact NZ-OD1 2.97Å; K74-R222 VanDerWaalsContact O-CZ 3.23Å; K74-R222 PolarHBondContact O-NH1 2.84Å; K74-R222 PolarHBondContact O-NH2 3.4Å
75	R	94.7	Very high	97.1	Very high	46 Å²	46	55.6 Å²	55.6	17%	0.174	29%	0.285	C	S	.	.	S	Bend	trans	-62.7	-41.7	175.4	-179	177.9	-75.5	171.7	-16.1	111.3	T53 E54 L73 R222 D276	T53-R75 HydrophobicContact CG2-CB 4.1Å; T53-R75 PolarHBondContact OG1-NE 2.91Å; T53-R75 PolarHBondContact OG1-NH2 2.91Å; E54-R75 IonicContact OE1-NH2 2.84Å; E54-R75 PolarHBondContact OE1-NH2 3.1Å; L73-R75 PolarHBondContact O-N 2.89Å; R75-R222 PolarHBondContact O-NH2 2.67Å; R75-D276 IonicContact CZ-OD1 2.78Å; R75-D276 VanDerWaalsContact CZ-OD1 3.23Å; R75-D276 IonicContact CZ-OD2 3.48Å; R75-D276 IonicContact NE-OD1 3.92Å; R75-D276 IonicContact NH1-OD1 3.65Å; R75-D276 PolarHBondContact NH1-OD1 3.09Å; R75-D276 IonicContact NH1-OD2 3.4Å; R75-D276 PolarHBondContact NH1-OD2 2.97Å; R75-D276 IonicContact NH2-OD1 3.91Å; R75-D276 PolarHBondContact NH2-OD1 2.91Å; R75-D276 IonicContact NH2-OD2 3.4Å
76	E	95.2	Very high	97	Very high	82 Å²	82	54 Å²	54	38%	0.383	28%	0.284	S	S	.	.	S	Bend	trans	-77.9	151.2	-170.1	-45	-41.4	155.9	0	0	113	K74 R220	K74-E76 VanDerWaalsContact C-N 3.31Å; K74-E76 PolarHBondContact O-N 2.94Å; E76-R220 PolarHBondContact O-NE 2.95Å; E76-R220 PolarHBondContact O-NH2 3.29Å
77	P	95.5	Very high	96.9	Very high	92 Å²	92	60 Å²	60	60%	0.597	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-53.7	146.5	173.1	-25	34.4	0	0	0	111.4
78	P	97.8	Very high	96.8	Very high	16 Å²	16	62.5 Å²	62.5	10%	0.104	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-50.9	148.3	172.3	-30.3	39.3	0	0	0	112.4	D93 F127 A219 R220	P78-D93 WeakPolarHBondContact CA-OD2 2.89Å; P78-F127 HydrophobicContact CB-CD2 3.89Å; P78-F127 HydrophobicContact CB-CE2 3.66Å; P78-F127 VanDerWaalsContact O-CE2 3.32Å; P78-F127 WeakPolarHBondContact O-CE2 3.48Å; P78-A219 HydrophobicContact CB-CB 3.88Å; P78-A219 HydrophobicContact CG-CB 3.48Å; P78-A219 VanDerWaalsContact CG-CB 3.48Å; P78-R220 HydrophobicContact CG-CG 3.65Å
79	Q	97.4	Very high	96.8	Very high	111 Å²	111	63.2 Å²	63.2	52%	0.519	33%	0.332	S	S	.	.			trans	-121.6	147.5	173.8	-59.3	-174.8	19.9	0	0	111.7	W91 D93	Q79-W91 HydrophobicContact CB-CH2 4.42Å; Q79-D93 PolarHBondContact N-OD2 2.87Å; Q79-D93 VanDerWaalsContact O-CB 3.3Å; Q79-D93 WeakPolarHBondContact O-CB 3.21Å
80	F	96.2	Very high	96.7	Very high	93 Å²	93	65.2 Å²	65.2	41%	0.408	34%	0.341	S	S	.	.			trans	-120.2	120.6	170.6	-176.1	-103.3	0	0	0	110	P82 M92 F127	F80-P82 HydrophobicContact CD1-CG 3.95Å; F80-P82 HydrophobicContact CE1-CB 4.06Å; F80-P82 HydrophobicContact CE1-CG 3.79Å; F80-M92 HydrophobicContact CE2-SD 4.37Å; F80-F127 HydrophobicContact CB-CB 4.29Å; F80-F127 HydrophobicContact CB-CD1 3.55Å; F80-F127 HydrophobicContact CB-CD2 4.03Å; F80-F127 HydrophobicContact CB-CE1 3.78Å; F80-F127 HydrophobicContact CB-CE2 4.23Å; F80-F127 HydrophobicContact CB-CG 3.68Å; F80-F127 HydrophobicContact CB-CZ 4.12Å; F80-F127 HydrophobicContact CD2-CB 4.1Å; F80-F127 HydrophobicContact CD2-CG 4.4Å; F80-F127 HydrophobicContact CG-CD1 4.2Å; F80-F127 HydrophobicContact CG-CG 4.35Å
81	I	97	Very high	96.7	Very high	67 Å²	67	64.5 Å²	64.5	34%	0.344	34%	0.336	S	S	.	.			trans	-111.1	102.7	177.6	-56.6	173.5	0	0	0	107.5	S83 A84 K90 W91	I81-S83 PolarHBondContact O-N 2.81Å; I81-S83 VanDerWaalsContact O-N 3.12Å; I81-A84 HydrophobicContact CB-CB 3.74Å; I81-A84 HydrophobicContact CG2-CB 3.67Å; I81-A84 PolarHBondContact O-N 2.81Å; I81-K90 PolarHBondContact O-NZ 3.37Å; I81-W91 HydrophobicContact CB-CE3 4.23Å; I81-W91 HydrophobicContact CB-CZ3 4.2Å; I81-W91 HydrophobicContact CD1-CE3 4.18Å; I81-W91 HydrophobicContact CD1-CH2 3.98Å; I81-W91 HydrophobicContact CD1-CZ3 3.72Å; I81-W91 HydrophobicContact CG1-CE3 4.25Å; I81-W91 HydrophobicContact CG1-CH2 4.41Å; I81-W91 HydrophobicContact CG1-CZ3 3.75Å
82	P	95.4	Very high	96.6	Very high	95 Å²	95	64.4 Å²	64.4	62%	0.617	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.4	-171.2	-27.8	33.9	0	0	0	114.7	F80 K90	F80-P82 HydrophobicContact CD1-CG 3.95Å; F80-P82 HydrophobicContact CE1-CB 4.06Å; F80-P82 HydrophobicContact CE1-CG 3.79Å; P82-K90 PolarHBondContact O-NZ 3.2Å
83	S	96.8	Very high	96.6	Very high	101 Å²	101	64.9 Å²	64.9	71%	0.706	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.1	-179.1	52.6	0	0	0	0	114.9	I81 F85	I81-S83 PolarHBondContact O-N 2.81Å; I81-S83 VanDerWaalsContact O-N 3.12Å; S83-F85 WeakPolarHBondContact O-CD2 3.22Å
84	A	96.8	Very high	96.6	Very high	26 Å²	26	64.8 Å²	64.8	22%	0.215	34%	0.337	C	S	.	.			trans	-82.2	131.1	-175.2	0	0	0	0	0	112.3	I81 K90 W91	I81-A84 HydrophobicContact CB-CB 3.74Å; I81-A84 HydrophobicContact CG2-CB 3.67Å; I81-A84 PolarHBondContact O-N 2.81Å; A84-K90 WeakPolarHBondContact O-CD 3.2Å; A84-K90 PolarHBondContact O-NZ 3.01Å; A84-W91 HydrophobicContact CB-CB 3.74Å; A84-W91 HydrophobicContact CB-CD2 4.39Å; A84-W91 HydrophobicContact CB-CE3 4.29Å; A84-W91 HydrophobicContact CB-CG 4.2Å; A84-W91 PolarHBondContact O-N 2.93Å
85	F	96.5	Very high	96.6	Very high	144 Å²	144	62.2 Å²	62.2	63%	0.632	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	148	174.3	-70.4	-94.9	0	0	0	108.8	S83 G89 K90	S83-F85 WeakPolarHBondContact O-CD2 3.22Å; F85-G89 CarbonylContact C-O 3.53Å; F85-G89 WeakPolarHBondContact CA-O 3.36Å; F85-K90 HydrophobicContact CD1-CB 4.37Å; F85-K90 HydrophobicContact CD1-CD 4.23Å; F85-K90 HydrophobicContact CE1-CB 4.22Å; F85-K90 HydrophobicContact CE1-CD 3.79Å; F85-K90 HydrophobicContact CE2-CD 4.38Å; F85-K90 HydrophobicContact CZ-CD 3.87Å
86	T	95.4	Very high	96.8	Very high	46 Å²	46	60.9 Å²	60.9	28%	0.282	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	173.5	168.2	69.7	0	0	0	0	108.7	F88 G89 W91	T86-F88 PolarHBondContact O-N 2.85Å; T86-F88 PolarHBondContact OG1-N 3.42Å; T86-F88 VanDerWaalsContact OG1-N 3.17Å; T86-G89 PolarHBondContact N-O 3.29Å; T86-G89 PolarHBondContact O-N 3.17Å; T86-G89 PolarHBondContact OG1-N 3.28Å; T86-G89 PolarHBondContact OG1-O 2.9Å; T86-W91 HydrophobicContact CG2-CB 4.14Å; T86-W91 HydrophobicContact CG2-CG 4.48Å
87	E	96.6	Very high	97	Very high	175 Å²	175	57.1 Å²	57.1	82%	0.818	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.9	170.8	67.9	-174.6	139.5	0	0	113
88	F	96.7	Very high	97	Very high	54 Å²	54	57.2 Å²	57.2	24%	0.237	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-9	-178.7	-54.4	-69.9	0	0	0	113.7	W65 F66 T86 T156	W65-F88 HydrophobicContact CZ2-CD1 4.28Å; W65-F88 VanDerWaalsContact O-CB 3.3Å; W65-F88 WeakPolarHBondContact O-CB 3.22Å; F66-F88 WeakPolarHBondContact CD1-O 3.38Å; F66-F88 WeakPolarHBondContact CE1-O 3.26Å; T86-F88 PolarHBondContact O-N 2.85Å; T86-F88 PolarHBondContact OG1-N 3.42Å; T86-F88 VanDerWaalsContact OG1-N 3.17Å; F88-T156 HydrophobicContact CD2-CG2 3.6Å; F88-T156 HydrophobicContact CE2-CG2 4.2Å; F88-T156 WeakPolarHBondContact CE2-O 3.46Å; F88-T156 HydrophobicContact CG-CG2 4.44Å
89	G	95.4	Very high	97	Very high	24 Å²	24	65.1 Å²	65.1	25%	0.247	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.2	-151.2	177.1	0	0	0	0	0	114.2	F85 T86 W91	F85-G89 CarbonylContact C-O 3.53Å; F85-G89 WeakPolarHBondContact CA-O 3.36Å; T86-G89 PolarHBondContact N-O 3.29Å; T86-G89 PolarHBondContact O-N 3.17Å; T86-G89 PolarHBondContact OG1-N 3.28Å; T86-G89 PolarHBondContact OG1-O 2.9Å; G89-W91 PolarHBondContact O-N 3.45Å
90	K	96.1	Very high	97	Very high	43 Å²	43	62.2 Å²	62.2	19%	0.187	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.2	176	-179.9	66.1	-167.7	156.8	0	109.1	I81 P82 A84 F85 M92	I81-K90 PolarHBondContact O-NZ 3.37Å; P82-K90 PolarHBondContact O-NZ 3.2Å; A84-K90 WeakPolarHBondContact O-CD 3.2Å; A84-K90 PolarHBondContact O-NZ 3.01Å; F85-K90 HydrophobicContact CD1-CB 4.37Å; F85-K90 HydrophobicContact CD1-CD 4.23Å; F85-K90 HydrophobicContact CE1-CB 4.22Å; F85-K90 HydrophobicContact CE1-CD 3.79Å; F85-K90 HydrophobicContact CE2-CD 4.38Å; F85-K90 HydrophobicContact CZ-CD 3.87Å; K90-M92 HydrophobicContact CG-CG 4.33Å; K90-M92 HydrophobicContact CG-SD 3.75Å; K90-M92 PolarHBondContact O-N 2.71Å
91	W	97.3	Very high	97	Very high	71 Å²	71	67.9 Å²	67.9	27%	0.269	33%	0.325	S	S	.	.			trans	-70.2	125.4	171.2	178.5	87.4	0	0	0	109.5	Q79 I81 A84 T86 G89 D93	Q79-W91 HydrophobicContact CB-CH2 4.42Å; I81-W91 HydrophobicContact CB-CE3 4.23Å; I81-W91 HydrophobicContact CB-CZ3 4.2Å; I81-W91 HydrophobicContact CD1-CE3 4.18Å; I81-W91 HydrophobicContact CD1-CH2 3.98Å; I81-W91 HydrophobicContact CD1-CZ3 3.72Å; I81-W91 HydrophobicContact CG1-CE3 4.25Å; I81-W91 HydrophobicContact CG1-CH2 4.41Å; I81-W91 HydrophobicContact CG1-CZ3 3.75Å; A84-W91 HydrophobicContact CB-CB 3.74Å; A84-W91 HydrophobicContact CB-CD2 4.39Å; A84-W91 HydrophobicContact CB-CE3 4.29Å; A84-W91 HydrophobicContact CB-CG 4.2Å; A84-W91 PolarHBondContact O-N 2.93Å; T86-W91 HydrophobicContact CG2-CB 4.14Å; T86-W91 HydrophobicContact CG2-CG 4.48Å; G89-W91 PolarHBondContact O-N 3.45Å; W91-D93 HydrophobicContact CH2-CB 3.63Å; W91-D93 HydrophobicContact CZ2-CB 4.14Å; W91-D93 HydrophobicContact CZ3-CB 4.07Å
92	M	97.1	Very high	96.8	Very high	9 Å²	9	70.5 Å²	70.5	4%	0.044	34%	0.338	C	S	.	.			trans	-126	134.7	178.9	-62.3	-60.2	-73.7	0	0	110.1	A67 F80 K90 G94 E96 F127 F128	A67-M92 HydrophobicContact CB-CB 4.17Å; A67-M92 WeakPolarHBondContact CB-O 3.39Å; F80-M92 HydrophobicContact CE2-SD 4.37Å; K90-M92 HydrophobicContact CG-CG 4.33Å; K90-M92 HydrophobicContact CG-SD 3.75Å; K90-M92 PolarHBondContact O-N 2.71Å; M92-G94 VanDerWaalsContact C-N 3.27Å; M92-G94 PolarHBondContact O-N 3.19Å; M92-G94 VanDerWaalsContact O-N 3.1Å; M92-E96 VanDerWaalsContact CG-OE2 3.27Å; M92-E96 WeakPolarHBondContact CG-OE2 3.1Å; M92-F127 HydrophobicContact CE-CB 4.19Å; M92-F128 HydrophobicContact CB-CE1 4.01Å; M92-F128 HydrophobicContact CB-CZ 3.77Å; M92-F128 HydrophobicContact CE-CD1 3.7Å; M92-F128 HydrophobicContact CE-CD2 4.32Å; M92-F128 HydrophobicContact CE-CE1 3.54Å; M92-F128 HydrophobicContact CE-CE2 4.2Å; M92-F128 HydrophobicContact CE-CG 4.09Å; M92-F128 HydrophobicContact CE-CZ 3.83Å; M92-F128 HydrophobicContact CG-CE1 4.02Å; M92-F128 HydrophobicContact CG-CZ 4.29Å
93	D	98.1	Very high	96.9	Very high	11 Å²	11	72.1 Å²	72.1	6%	0.059	35%	0.349	C	S	.	.	S	Bend	trans	-87.5	67.3	176.1	-169	19.7	0	0	0	111	K74 P78 Q79 W91 R220	K74-D93 WeakPolarHBondContact CD-OD1 3.38Å; K74-D93 IonicContact NZ-OD1 3.69Å; K74-D93 PolarHBondContact NZ-OD1 2.97Å; P78-D93 WeakPolarHBondContact CA-OD2 2.89Å; Q79-D93 PolarHBondContact N-OD2 2.87Å; Q79-D93 VanDerWaalsContact O-CB 3.3Å; Q79-D93 WeakPolarHBondContact O-CB 3.21Å; W91-D93 HydrophobicContact CH2-CB 3.63Å; W91-D93 HydrophobicContact CZ2-CB 4.14Å; W91-D93 HydrophobicContact CZ3-CB 4.07Å; D93-R220 VanDerWaalsContact CG-NH2 3.34Å; D93-R220 PolarHBondContact O-NH1 3.48Å; D93-R220 IonicContact OD1-CZ 3.99Å; D93-R220 IonicContact OD1-NH1 2.63Å; D93-R220 PolarHBondContact OD1-NH1 2.89Å; D93-R220 IonicContact OD1-NH2 3.7Å; D93-R220 PolarHBondContact OD1-NH2 3.47Å; D93-R220 IonicContact OD2-CZ 2.81Å; D93-R220 IonicContact OD2-NH1 3.85Å; D93-R220 IonicContact OD2-NH2 2.98Å; D93-R220 PolarHBondContact OD2-NH2 2.97Å
94	G	98.1	Very high	96.9	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-168.6	-167.5	-177.7	0	0	0	0	0	111.8	A67 N71 M92 I218	A67-G94 WeakPolarHBondContact CB-O 3.38Å; N71-G94 WeakPolarHBondContact CB-O 3.43Å; N71-G94 PolarHBondContact ND2-O 3.2Å; M92-G94 VanDerWaalsContact C-N 3.27Å; M92-G94 PolarHBondContact O-N 3.19Å; M92-G94 VanDerWaalsContact O-N 3.1Å; G94-I218 CarbonylContact C-O 3.59Å; G94-I218 WeakPolarHBondContact CA-O 3.34Å
95	W	98.6	Very high	97	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.1	163.4	-176.1	26.7	0	0	0	108.8	D63 A69 L72 T97 D106 C108 L210 M212 G217 I218	D63-W95 PolarHBondContact O-NE1 3.14Å; A69-W95 HydrophobicContact CB-CB 4.39Å; A69-W95 HydrophobicContact CB-CD2 4.04Å; A69-W95 HydrophobicContact CB-CG 3.77Å; L72-W95 HydrophobicContact CD1-CB 4.07Å; L72-W95 HydrophobicContact CD1-CD2 4.28Å; L72-W95 HydrophobicContact CD1-CE3 3.83Å; L72-W95 HydrophobicContact CD1-CG 4.41Å; L72-W95 HydrophobicContact CD2-CB 3.88Å; L72-W95 HydrophobicContact CG-CB 3.82Å; W95-T97 HydrophobicContact CZ2-CG2 3.63Å; W95-D106 HydrophobicContact CH2-CB 4.37Å; W95-D106 HydrophobicContact CZ2-CB 4.33Å; W95-C108 HydrophobicContact CH2-CB 4.08Å; W95-C108 HydrophobicContact CZ2-CB 4.32Å; W95-C108 HydrophobicContact CZ3-CB 4.29Å; W95-L210 HydrophobicContact CE3-CD2 4.14Å; W95-L210 HydrophobicContact CZ3-CD2 4.02Å; W95-L210 HydrophobicContact CZ3-CG 4.38Å; W95-M212 HydrophobicContact CD2-SD 3.96Å; W95-M212 HydrophobicContact CE3-CG 4.35Å; W95-M212 HydrophobicContact CE3-SD 3.32Å; W95-M212 HydrophobicContact CH2-CG 4.36Å; W95-M212 HydrophobicContact CH2-SD 3.9Å; W95-M212 HydrophobicContact CZ2-SD 4.49Å; W95-M212 HydrophobicContact CZ3-CG 3.8Å; W95-M212 HydrophobicContact CZ3-SD 3.3Å; W95-M212 WeakPolarHBondContact CZ3-SD 3.4Å; W95-G217 CarbonylContact O-C 3.58Å; W95-G217 WeakPolarHBondContact O-CA 3.48Å; W95-I218 PolarHBondContact N-O 3.01Å; W95-I218 PolarHBondContact O-N 3.04Å
96	E	98.7	Very high	97.1	Very high	19 Å²	19	64.2 Å²	64.2	9%	0.089	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	127	174	-172.5	-175.7	-169.1	0	0	111.2	F66 A67 M92 F128 N131 G216	F66-E96 HydrophobicContact CB-CB 3.83Å; F66-E96 HydrophobicContact CB-CG 3.8Å; F66-E96 WeakPolarHBondContact CB-OE2 3.37Å; F66-E96 HydrophobicContact CD2-CG 3.95Å; F66-E96 HydrophobicContact CG-CG 4.26Å; F66-E96 PolarHBondContact N-O 2.92Å; F66-E96 VanDerWaalsContact N-O 3.12Å; A67-E96 HydrophobicContact CB-CB 4.12Å; A67-E96 PolarHBondContact N-O 2.85Å; A67-E96 PolarHBondContact O-N 3.04Å; M92-E96 VanDerWaalsContact CG-OE2 3.27Å; M92-E96 WeakPolarHBondContact CG-OE2 3.1Å; E96-F128 HydrophobicContact CB-CE1 3.78Å; E96-F128 HydrophobicContact CB-CZ 4.22Å; E96-F128 HydrophobicContact CG-CE1 3.94Å; E96-N131 PolarHBondContact OE1-ND2 3.48Å; E96-G216 WeakPolarHBondContact CA-O 3.15Å
97	T	98.6	Very high	97.3	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.012	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-101.3	162.1	-176.8	68.3	0	0	0	0	112.6	D63 F66 W95 D106 M212 D215 G216	D63-T97 HydrophobicContact CB-CG2 3.98Å; D63-T97 VanDerWaalsContact O-CG2 3.31Å; D63-T97 WeakPolarHBondContact O-CG2 3.23Å; D63-T97 VanDerWaalsContact OD1-CA 3.29Å; D63-T97 WeakPolarHBondContact OD1-CA 3.22Å; D63-T97 WeakPolarHBondContact OD1-CB 3.42Å; F66-T97 VanDerWaalsContact CD2-O 3.31Å; F66-T97 WeakPolarHBondContact CD2-O 3.34Å; W95-T97 HydrophobicContact CZ2-CG2 3.63Å; T97-D106 WeakPolarHBondContact CB-OD2 3.42Å; T97-D106 HydrophobicContact CG2-CB 3.88Å; T97-D106 PolarHBondContact OG1-OD2 3.04Å; T97-M212 HydrophobicContact CG2-CE 4.14Å; T97-D215 WeakPolarHBondContact OG1-CB 3.18Å; T97-G216 PolarHBondContact N-O 3.03Å; T97-G216 PolarHBondContact OG1-N 3.47Å
98	R	97.5	Very high	97.4	Very high	94 Å²	94	55.2 Å²	55.2	36%	0.355	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-58.9	144.4	168.9	-81.5	173.6	-70.4	176.3	6.6	111.2	D63 W65 K100	D63-R98 PolarHBondContact OD1-N 3.24Å; D63-R98 IonicContact OD1-NE 2.88Å; D63-R98 IonicContact OD2-CZ 3.23Å; D63-R98 IonicContact OD2-NE 3.83Å; D63-R98 PolarHBondContact OD2-NE 2.67Å; D63-R98 IonicContact OD2-NH2 3.03Å; D63-R98 PolarHBondContact OD2-NH2 2.97Å; W65-R98 HydrophobicContact CB-CB 4.44Å; W65-R98 HydrophobicContact CB-CG 3.43Å; W65-R98 VanDerWaalsContact CB-CG 3.43Å; W65-R98 HydrophobicContact CD2-CG 3.65Å; W65-R98 VanDerWaalsContact CE3-CD 3.42Å; W65-R98 HydrophobicContact CE3-CG 4.19Å; W65-R98 VanDerWaalsContact CE3-CZ 3.46Å; W65-R98 VanDerWaalsContact CE3-NE 3.31Å; W65-R98 HydrophobicContact CG-CG 3.29Å; R98-K100 PolarHBondContact O-N 3.26Å; R98-K100 VanDerWaalsContact O-N 3.08Å
99	R	97.7	Very high	97.4	Very high	183 Å²	183	52.7 Å²	52.7	69%	0.691	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-52.4	118	166.1	-67.2	-169.2	179.1	-154.4	-0.7	110.5	R101	R99-R101 PolarHBondContact O-NH1 2.91Å
100	K	95.8	Very high	97.6	Very high	49 Å²	49	51.5 Å²	51.5	21%	0.213	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-77.7	131.1	-175.3	-150.8	175.2	-160.8	72.6	0	109.8	R98 I102 G104 D106 P214 D215	R98-K100 PolarHBondContact O-N 3.26Å; R98-K100 VanDerWaalsContact O-N 3.08Å; K100-I102 HydrophobicContact CG-CG1 3.95Å; K100-G104 WeakPolarHBondContact CD-O 3.43Å; K100-G104 VanDerWaalsContact CE-C 3.42Å; K100-G104 WeakPolarHBondContact CE-O 3.39Å; K100-D106 IonicContact NZ-OD1 3.87Å; K100-D106 PolarHBondContact NZ-OD1 2.87Å; K100-D106 IonicContact NZ-OD2 3.93Å; K100-P214 HydrophobicContact CD-CB 4.34Å; K100-D215 WeakPolarHBondContact CA-OD2 3.47Å; K100-D215 HydrophobicContact CB-CB 4.05Å; K100-D215 WeakPolarHBondContact CB-OD2 3.34Å; K100-D215 VanDerWaalsContact N-CG 3.33Å; K100-D215 PolarHBondContact N-OD2 3.39Å
101	R	95.9	Very high	97.7	Very high	212 Å²	212	52.2 Å²	52.2	80%	0.8	25%	0.247	S	C	*	.			trans	-125.7	17.9	176.8	-64	-179.5	178.8	83.3	-8.7	111.7	R99	R99-R101 PolarHBondContact O-NH1 2.91Å
102	I	94.7	Very high	97.7	Very high	122 Å²	122	49.1 Å²	49.1	63%	0.626	24%	0.236	S	C	*	.	S	Bend	trans	-132.6	159.6	-179.3	61.4	170.4	0	0	0	108.7	K100	K100-I102 HydrophobicContact CG-CG1 3.95Å
103	P	97.1	Very high	97.7	Very high	129 Å²	129	49.1 Å²	49.1	84%	0.838	24%	0.238	S	C	*	.	S	Bend	trans	-57.8	154	176.5	-25.7	35.7	0	0	0	113.8
104	G	96.4	Very high	97.7	Very high	54 Å²	54	48.7 Å²	48.7	56%	0.557	24%	0.236	S	C	*	.	S	Bend	trans	96.4	-160.9	176.9	0	0	0	0	0	113.5	K100	K100-G104 WeakPolarHBondContact CD-O 3.43Å; K100-G104 VanDerWaalsContact CE-C 3.42Å; K100-G104 WeakPolarHBondContact CE-O 3.39Å
105	H	98.6	Very high	97.6	Very high	45 Å²	45	50.6 Å²	50.6	21%	0.208	25%	0.248	C	C	.	.			trans	-145.4	166.7	-175.4	67.2	-87.3	0	0	0	111.4	N211 M212 Y213 P214	H105-N211 PolarHBondContact NE2-OD1 3.28Å; H105-M212 WeakPolarHBondContact CB-O 3.42Å; H105-Y213 HydrophobicContact CB-CD1 3.59Å; H105-Y213 HydrophobicContact CB-CE1 4.06Å; H105-Y213 HydrophobicContact CB-CG 4.28Å; H105-Y213 AromaticContact CD2-CD1 3.97Å; H105-Y213 AromaticContact CD2-CE1 3.64Å; H105-Y213 AromaticContact CE1-CE1 3.56Å; H105-Y213 AromaticContact CG-CD1 3.54Å; H105-Y213 AromaticContact CG-CE1 3.46Å; H105-Y213 VanDerWaalsContact CG-CE1 3.46Å; H105-Y213 AromaticContact ND1-CD1 3.86Å; H105-Y213 AromaticContact ND1-CE1 3.43Å; H105-Y213 WeakPolarHBondContact ND1-CE1 3.5Å; H105-Y213 AromaticContact NE2-CE1 3.69Å; H105-Y213 AromaticContact NE2-CZ 3.9Å; H105-P214 CarbonylContact C-O 3.53Å; H105-P214 VanDerWaalsContact CA-O 3.24Å; H105-P214 WeakPolarHBondContact CA-O 3.46Å
106	D	98.7	Very high	97.5	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.7	177.3	-73.5	-39.1	0	0	0	112.3	T62 W95 T97 K100 M212 P214	T62-D106 WeakPolarHBondContact OG1-CA 3.26Å; T62-D106 WeakPolarHBondContact OG1-CB 3.47Å; T62-D106 PolarHBondContact OG1-OD1 2.93Å; W95-D106 HydrophobicContact CH2-CB 4.37Å; W95-D106 HydrophobicContact CZ2-CB 4.33Å; T97-D106 WeakPolarHBondContact CB-OD2 3.42Å; T97-D106 HydrophobicContact CG2-CB 3.88Å; T97-D106 PolarHBondContact OG1-OD2 3.04Å; K100-D106 IonicContact NZ-OD1 3.87Å; K100-D106 PolarHBondContact NZ-OD1 2.87Å; K100-D106 IonicContact NZ-OD2 3.93Å; D106-M212 PolarHBondContact N-O 2.93Å; D106-M212 PolarHBondContact O-N 2.81Å; D106-P214 PolarHBondContact N-O 2.97Å
107	W	98.8	Very high	97.5	Very high	32 Å²	32	51.5 Å²	51.5	12%	0.121	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	158.4	-177.5	58	-83.7	0	0	0	112	F60 A61 T62 I109 V168 R209 L210 N211	F60-W107 AromaticContact CD1-CE3 3.83Å; F60-W107 HydrophobicContact CD1-CE3 3.83Å; F60-W107 AromaticContact CD1-CH2 3.65Å; F60-W107 HydrophobicContact CD1-CH2 3.65Å; F60-W107 HydrophobicContact CD1-CZ2 4.34Å; F60-W107 AromaticContact CD1-CZ3 3.37Å; F60-W107 HydrophobicContact CD1-CZ3 3.37Å; F60-W107 AromaticContact CE1-CD2 3.99Å; F60-W107 HydrophobicContact CE1-CD2 3.99Å; F60-W107 AromaticContact CE1-CE2 3.88Å; F60-W107 AromaticContact CE1-CE3 3.73Å; F60-W107 HydrophobicContact CE1-CE3 3.73Å; F60-W107 AromaticContact CE1-CH2 3.25Å; F60-W107 HydrophobicContact CE1-CH2 3.25Å; F60-W107 AromaticContact CE1-CZ2 3.52Å; F60-W107 HydrophobicContact CE1-CZ2 3.52Å; F60-W107 AromaticContact CE1-CZ3 3.38Å; F60-W107 HydrophobicContact CE1-CZ3 3.38Å; F60-W107 HydrophobicContact CZ-CH2 4.02Å; F60-W107 HydrophobicContact CZ-CZ2 4.08Å; A61-W107 WeakPolarHBondContact CA-O 3.33Å; T62-W107 VanDerWaalsContact CG2-CD1 3.42Å; T62-W107 HydrophobicContact CG2-CD2 3.96Å; T62-W107 HydrophobicContact CG2-CG 3.86Å; T62-W107 HydrophobicContact CG2-CZ2 4.25Å; T62-W107 PolarHBondContact N-O 2.96Å; T62-W107 PolarHBondContact OG1-N 3.06Å; T62-W107 VanDerWaalsContact OG1-N 3.1Å; T62-W107 PolarHBondContact OG1-O 2.98Å; W107-I109 HydrophobicContact CE3-CG1 4.1Å; W107-I109 HydrophobicContact CZ3-CD1 3.83Å; W107-I109 HydrophobicContact CZ3-CG1 3.6Å; W107-V168 HydrophobicContact CH2-CB 4.32Å; W107-V168 HydrophobicContact CH2-CG2 4.03Å; W107-R209 HydrophobicContact CE3-CG 4.14Å; W107-L210 CarbonylContact C-O 3.52Å; W107-L210 WeakPolarHBondContact CA-O 3.48Å; W107-L210 VanDerWaalsContact CB-O 3.25Å; W107-L210 WeakPolarHBondContact CB-O 3.12Å; W107-N211 HydrophobicContact CB-CB 4.44Å; W107-N211 WeakPolarHBondContact CB-OD1 3.36Å
108	C	98.7	Very high	97.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.5	174.2	73.3	0	0	0	0	111.2	V58 F60 A61 W95 R209 L210	V58-C108 HydrophobicContact CG1-CB 4.19Å; F60-C108 CarbonylContact O-C 3.49Å; F60-C108 WeakPolarHBondContact O-CA 3.09Å; F60-C108 WeakPolarHBondContact O-CB 3.33Å; A61-C108 HydrophobicContact CB-CB 3.87Å; W95-C108 HydrophobicContact CH2-CB 4.08Å; W95-C108 HydrophobicContact CZ2-CB 4.32Å; W95-C108 HydrophobicContact CZ3-CB 4.29Å; C108-R209 WeakPolarHBondContact O-CA 3.27Å; C108-L210 PolarHBondContact N-O 3.1Å; C108-L210 PolarHBondContact O-N 2.76Å
109	I	98.4	Very high	97.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.7	170.7	-53.9	-178	0	0	0	108.6	V58 I59 F60 W107 V168 L171 W176 L208	V58-I109 WeakPolarHBondContact CA-O 3.28Å; I59-I109 HydrophobicContact CD1-CB 4.29Å; I59-I109 HydrophobicContact CD1-CG2 3.65Å; I59-I109 HydrophobicContact CG1-CB 3.77Å; I59-I109 HydrophobicContact CG1-CG2 3.62Å; I59-I109 PolarHBondContact N-O 2.74Å; F60-I109 HydrophobicContact CB-CB 4.27Å; F60-I109 HydrophobicContact CB-CG1 4.33Å; F60-I109 HydrophobicContact CD1-CG1 4.32Å; F60-I109 PolarHBondContact N-O 2.91Å; F60-I109 PolarHBondContact O-N 2.89Å; W107-I109 HydrophobicContact CE3-CG1 4.1Å; W107-I109 HydrophobicContact CZ3-CD1 3.83Å; W107-I109 HydrophobicContact CZ3-CG1 3.6Å; I109-V168 HydrophobicContact CD1-CB 4.37Å; I109-V168 HydrophobicContact CD1-CG1 3.89Å; I109-L171 HydrophobicContact CD1-CD1 3.7Å; I109-W176 HydrophobicContact CD1-CH2 4.3Å; I109-W176 HydrophobicContact CG2-CH2 3.96Å; I109-W176 HydrophobicContact CG2-CZ3 4.29Å; I109-L208 CarbonylContact C-O 3.54Å; I109-L208 WeakPolarHBondContact CA-O 3.32Å
110	I	98.5	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.7	-177.4	-59.8	165.9	0	0	0	107.9	A50 K57 V58 L73 H207 L208 L210 L221	A50-I110 HydrophobicContact CB-CG2 4.43Å; K57-I110 CarbonylContact O-C 3.59Å; K57-I110 WeakPolarHBondContact O-CA 3.36Å; V58-I110 HydrophobicContact CG2-CG1 4.27Å; L73-I110 HydrophobicContact CD1-CG2 4.03Å; L73-I110 HydrophobicContact CD2-CD1 4.32Å; L73-I110 HydrophobicContact CD2-CG2 3.9Å; I110-H207 CarbonylContact O-C 3.46Å; I110-H207 WeakPolarHBondContact O-CA 3.33Å; I110-L208 HydrophobicContact CB-CB 4.32Å; I110-L208 PolarHBondContact N-O 2.88Å; I110-L208 PolarHBondContact O-N 3.36Å; I110-L210 HydrophobicContact CD1-CB 4.31Å; I110-L221 HydrophobicContact CD1-CD2 3.44Å; I110-L221 VanDerWaalsContact CD1-CD2 3.44Å
111	Q	98.1	Very high	97.6	Very high	58 Å²	58	39.1 Å²	39.1	27%	0.271	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.5	164.3	-179.7	178.9	-3.9	0	0	108.7	G56 K57 I59 H207	G56-Q111 WeakPolarHBondContact CA-O 3.35Å; K57-Q111 PolarHBondContact N-O 3.14Å; K57-Q111 PolarHBondContact O-N 2.96Å; I59-Q111 HydrophobicContact CG2-CB 3.91Å; Q111-H207 WeakPolarHBondContact CG-NE2 3.49Å
112	L	98.4	Very high	97.8	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	141.8	174.1	-60	-176.3	0	0	0	110.4	L49 A50 V114 I118 V205 T206 L208 V223	L49-L112 HydrophobicContact CB-CD1 4.45Å; A50-L112 HydrophobicContact CB-CD2 3.72Å; L112-V114 VanDerWaalsContact C-N 3.26Å; L112-I118 HydrophobicContact CD1-CD1 4.39Å; L112-V205 HydrophobicContact CD1-CB 4.28Å; L112-V205 HydrophobicContact CD1-CG1 3.87Å; L112-T206 WeakPolarHBondContact CB-O 3.34Å; L112-T206 PolarHBondContact N-O 3.15Å; L112-L208 HydrophobicContact CD2-CD1 4.04Å; L112-L208 HydrophobicContact CD2-CG 4.13Å; L112-V223 HydrophobicContact CD2-CB 4.37Å; L112-V223 HydrophobicContact CD2-CG1 4.15Å; L112-V223 HydrophobicContact CD2-CG2 4.34Å
113	G	96.9	Very high	98	Very high	9 Å²	9	23.6 Å²	23.6	9%	0.093	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-26.1	173.4	0	0	0	0	0	112.7	L49 E54 G56 R268	L49-G113 PolarHBondContact O-N 3.31Å; E54-G113 CarbonylContact O-C 3.5Å; E54-G113 VanDerWaalsContact O-CA 3.31Å; E54-G113 WeakPolarHBondContact O-CA 3.38Å; E54-G113 VanDerWaalsContact O-O 3.09Å; G56-G113 VanDerWaalsContact N-CA 3.27Å; G113-R268 PolarHBondContact O-NH2 2.83Å
114	V	96.8	Very high	98	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	111	173.6	-178.1	0	0	0	0	109	L49 E54 L112 L245 T246	L49-V114 HydrophobicContact CD2-CB 3.99Å; L49-V114 HydrophobicContact CD2-CG1 4.16Å; L49-V114 PolarHBondContact O-N 2.96Å; E54-V114 HydrophobicContact CB-CG2 4.3Å; L112-V114 VanDerWaalsContact C-N 3.26Å; V114-L245 HydrophobicContact CG2-CD2 3.91Å; V114-L245 HydrophobicContact CG2-CG 4.24Å; V114-T246 HydrophobicContact CG2-CG2 3.87Å
115	P	96.8	Very high	98.1	Very high	40 Å²	40	15.2 Å²	15.2	26%	0.26	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	138.2	171.3	-26.6	36.5	0	0	0	111.7	R204 V205 T206 G227 Q228	P115-R204 VanDerWaalsContact CB-CZ 3.44Å; P115-V205 CarbonylContact C-O 3.46Å; P115-V205 VanDerWaalsContact CA-O 3.26Å; P115-V205 WeakPolarHBondContact CA-O 3.49Å; P115-T206 HydrophobicContact CB-CG2 3.85Å; P115-T206 HydrophobicContact CG-CG2 4.02Å; P115-G227 CarbonylContact O-C 3.58Å; P115-G227 WeakPolarHBondContact O-CA 3.18Å; P115-Q228 PolarHBondContact O-N 2.85Å
116	G	97	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	-174.6	-171.9	0	0	0	0	0	115.7	V205 V226	G116-V205 PolarHBondContact N-O 3.15Å; G116-V205 PolarHBondContact O-N 3.24Å; G116-V226 CarbonylContact C-O 3.54Å; G116-V226 WeakPolarHBondContact CA-O 3.08Å
117	L	97.4	Very high	98.1	Very high	38 Å²	38	17.3 Å²	17.3	20%	0.199	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.6	170.3	-61.3	-178.6	0	0	0	109.4	R202 S203 G225 V226 Q228	L117-R202 WeakPolarHBondContact CD2-O 3.26Å; L117-S203 WeakPolarHBondContact CD2-O 3.38Å; L117-G225 CarbonylContact O-C 3.49Å; L117-G225 WeakPolarHBondContact O-CA 3.28Å; L117-V226 PolarHBondContact N-O 2.96Å; L117-V226 PolarHBondContact O-N 3.27Å; L117-Q228 VanDerWaalsContact CD1-NE2 3.32Å; L117-Q228 VanDerWaalsContact CG-CD 3.46Å; L117-Q228 HydrophobicContact CG-CG 3.94Å; L117-Q228 VanDerWaalsContact CG-NE2 3.28Å
118	I	98.3	Very high	98.1	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.026	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.4	179.1	-60	171.9	0	0	0	108.6	L112 L121 L179 V199 V205 L208 V223	L112-I118 HydrophobicContact CD1-CD1 4.39Å; I118-L121 HydrophobicContact CG2-CG 4.28Å; I118-L179 HydrophobicContact CB-CD1 4.42Å; I118-L179 HydrophobicContact CD1-CD1 3.53Å; I118-L179 HydrophobicContact CG2-CD1 4.42Å; I118-V199 HydrophobicContact CB-CG1 4.44Å; I118-V199 HydrophobicContact CG2-CB 4.17Å; I118-V199 HydrophobicContact CG2-CG1 4.4Å; I118-V199 HydrophobicContact CG2-CG2 3.92Å; I118-V199 WeakPolarHBondContact O-CG1 3.23Å; I118-V205 HydrophobicContact CD1-CB 3.89Å; I118-V205 HydrophobicContact CD1-CG1 3.83Å; I118-V205 HydrophobicContact CD1-CG2 4.02Å; I118-V205 HydrophobicContact CG1-CB 4.44Å; I118-L208 HydrophobicContact CD1-CD2 3.77Å; I118-V223 HydrophobicContact CB-CG1 4.5Å; I118-V223 HydrophobicContact CD1-CG1 3.61Å; I118-V223 HydrophobicContact CG1-CG1 3.73Å; I118-V223 HydrophobicContact CG2-CG1 3.98Å
119	H	97.9	Very high	98	Very high	63 Å²	63	18.8 Å²	18.8	29%	0.292	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-27.9	178.3	-75.1	-100.3	0	0	0	112.2	F43 F46 V199 F224	F43-H119 HydrophobicContact CB-CB 3.87Å; F46-H119 HydrophobicContact CD2-CB 3.78Å; F46-H119 AromaticContact CD2-CG 3.89Å; F46-H119 HydrophobicContact CE2-CB 3.8Å; F46-H119 AromaticContact CE2-CG 3.59Å; F46-H119 AromaticContact CE2-ND1 3.66Å; H119-V199 PolarHBondContact O-N 3.24Å; H119-F224 PolarHBondContact N-O 2.9Å
120	G	98.3	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	169.6	174.2	0	0	0	0	0	113	F197 F224	G120-F197 CarbonylContact C-O 3.58Å; G120-F197 WeakPolarHBondContact CA-O 3.45Å; G120-F224 PolarHBondContact N-O 2.82Å; G120-F224 WeakPolarHBondContact O-CB 3.26Å; G120-F224 PolarHBondContact O-N 3.4Å
121	L	98.6	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.1	-177.7	-56.1	124.3	0	0	0	109.7	I118 I138 V180 Y196 F197 V199 L208 L221 R222 V223	I118-L121 HydrophobicContact CG2-CG 4.28Å; L121-I138 HydrophobicContact CD1-CD1 4.26Å; L121-I138 HydrophobicContact CD2-CD1 3.85Å; L121-I138 HydrophobicContact CD2-CG2 4.41Å; L121-I138 HydrophobicContact CG-CD1 4.45Å; L121-V180 HydrophobicContact CD1-CG2 3.49Å; L121-V180 VanDerWaalsContact CD1-CG2 3.49Å; L121-Y196 WeakPolarHBondContact O-CA 3.13Å; L121-F197 HydrophobicContact CB-CB 4.44Å; L121-F197 HydrophobicContact CD1-CB 4.4Å; L121-F197 PolarHBondContact N-O 3.34Å; L121-F197 PolarHBondContact O-N 3.28Å; L121-V199 HydrophobicContact CD1-CG2 3.35Å; L121-V199 HydrophobicContact CG-CG2 4.28Å; L121-L208 HydrophobicContact CD2-CD1 4.38Å; L121-L221 HydrophobicContact CD2-CD1 4.28Å; L121-R222 VanDerWaalsContact CA-O 3.28Å; L121-R222 WeakPolarHBondContact CA-O 3.4Å; L121-V223 HydrophobicContact CD2-CB 4.48Å; L121-V223 HydrophobicContact CD2-CG1 4.24Å; L121-V223 HydrophobicContact CD2-CG2 4.03Å
122	D	98.7	Very high	97.8	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.043	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.3	164.6	176.7	23.7	0	0	0	108.9	H194 N195 Y196 L221 R222 F224	D122-H194 WeakPolarHBondContact OD1-CA 3.31Å; D122-H194 IonicContact OD1-CG 2.7Å; D122-H194 IonicContact OD1-ND1 3.88Å; D122-H194 PolarHBondContact OD1-ND1 2.88Å; D122-H194 IonicContact OD2-CE1 3.91Å; D122-H194 IonicContact OD2-CG 3.61Å; D122-H194 IonicContact OD2-ND1 3.49Å; D122-H194 PolarHBondContact OD2-ND1 2.87Å; D122-N195 WeakPolarHBondContact CA-O 3.47Å; D122-N195 PolarHBondContact OD1-N 3.41Å; D122-Y196 HydrophobicContact CB-CD1 3.75Å; D122-Y196 HydrophobicContact CB-CE1 3.72Å; D122-Y196 VanDerWaalsContact CG-CE1 3.45Å; D122-L221 WeakPolarHBondContact O-CA 3.43Å; D122-R222 HydrophobicContact CB-CB 4.04Å; D122-R222 HydrophobicContact CB-CG 4.25Å; D122-R222 PolarHBondContact N-O 3.37Å; D122-R222 PolarHBondContact O-N 3.07Å; D122-F224 HydrophobicContact CB-CE2 3.93Å
123	V	98.8	Very high	97.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	98.5	171.6	-176.1	0	0	0	0	107.4	V136 I138 L185 N195 F197 I218 L221	V123-V136 HydrophobicContact CG2-CG2 4.45Å; V123-I138 HydrophobicContact CG2-CD1 4.11Å; V123-L185 HydrophobicContact CB-CD2 3.96Å; V123-L185 HydrophobicContact CG1-CD1 3.91Å; V123-L185 HydrophobicContact CG1-CD2 3.76Å; V123-N195 HydrophobicContact CB-CB 4.32Å; V123-N195 PolarHBondContact N-O 2.92Å; V123-N195 WeakPolarHBondContact O-CB 3.4Å; V123-N195 PolarHBondContact O-N 2.9Å; V123-N195 VanDerWaalsContact O-N 3.16Å; V123-N195 PolarHBondContact O-ND2 3.12Å; V123-F197 HydrophobicContact CB-CE2 4.18Å; V123-F197 HydrophobicContact CG2-CD2 4.11Å; V123-F197 HydrophobicContact CG2-CE2 3.81Å; V123-I218 HydrophobicContact CG1-CD1 3.83Å; V123-I218 HydrophobicContact CG1-CG1 4.16Å; V123-I218 HydrophobicContact CG1-CG2 3.76Å; V123-L221 HydrophobicContact CG2-CD1 3.86Å
124	D	98.8	Very high	97.9	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.2	-176.5	-178.4	-1.8	0	0	0	109.7	S126 C193 H194 A219 R220	D124-S126 WeakPolarHBondContact OD1-CA 3.48Å; D124-S126 WeakPolarHBondContact OD1-CB 3.47Å; D124-S126 PolarHBondContact OD1-N 2.84Å; D124-S126 PolarHBondContact OD1-OG 2.66Å; D124-S126 PolarHBondContact OD2-OG 2.83Å; D124-C193 CarbonylContact C-O 3.6Å; D124-C193 WeakPolarHBondContact CA-O 3.48Å; D124-H194 IonicContact OD2-CE1 3.37Å; D124-A219 WeakPolarHBondContact O-CA 3.05Å; D124-A219 WeakPolarHBondContact O-CB 3.4Å; D124-A219 PolarHBondContact O-N 2.88Å; D124-R220 HydrophobicContact CB-CB 4Å; D124-R220 PolarHBondContact N-O 2.81Å; D124-R220 PolarHBondContact O-N 3.48Å; D124-R220 VanDerWaalsContact O-N 3.14Å
125	T	98.8	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.			trans	-97.9	13.2	177.7	58.7	0	0	0	0	113.2	F127 F128 H132 L185 Q186 G188 C193	T125-F127 PolarHBondContact O-N 2.98Å; T125-F128 WeakPolarHBondContact O-CB 3.47Å; T125-F128 PolarHBondContact O-N 2.91Å; T125-H132 HydrophobicContact CG2-CB 4.08Å; T125-L185 HydrophobicContact CG2-CB 4.24Å; T125-L185 HydrophobicContact CG2-CD1 4.02Å; T125-Q186 WeakPolarHBondContact CB-O 3.41Å; T125-Q186 PolarHBondContact OG1-O 3.02Å; T125-G188 WeakPolarHBondContact O-CA 3.5Å; T125-G188 PolarHBondContact OG1-N 2.91Å; T125-C193 PolarHBondContact N-O 2.85Å; T125-C193 PolarHBondContact OG1-O 2.77Å
126	S	98.6	Very high	98.1	Very high	16 Å²	16	29 Å²	29	11%	0.112	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.5	128.8	-176	-77.2	0	0	0	0	113.4	D124 F128 C193 A219	D124-S126 WeakPolarHBondContact OD1-CA 3.48Å; D124-S126 WeakPolarHBondContact OD1-CB 3.47Å; D124-S126 PolarHBondContact OD1-N 2.84Å; D124-S126 PolarHBondContact OD1-OG 2.66Å; D124-S126 PolarHBondContact OD2-OG 2.83Å; S126-F128 WeakPolarHBondContact O-CD2 3.44Å; S126-F128 PolarHBondContact O-N 2.99Å; S126-F128 VanDerWaalsContact O-N 3.16Å; S126-C193 PolarHBondContact OG-SG 2.96Å; S126-A219 WeakPolarHBondContact O-CB 3.43Å
127	F	98.4	Very high	98.2	Very high	81 Å²	81	29 Å²	29	36%	0.355	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-9.7	-179.7	-43.8	-65	0	0	0	116.5	P78 F80 M92 T125 T129 G188	P78-F127 HydrophobicContact CB-CD2 3.89Å; P78-F127 HydrophobicContact CB-CE2 3.66Å; P78-F127 VanDerWaalsContact O-CE2 3.32Å; P78-F127 WeakPolarHBondContact O-CE2 3.48Å; F80-F127 HydrophobicContact CB-CB 4.29Å; F80-F127 HydrophobicContact CB-CD1 3.55Å; F80-F127 HydrophobicContact CB-CD2 4.03Å; F80-F127 HydrophobicContact CB-CE1 3.78Å; F80-F127 HydrophobicContact CB-CE2 4.23Å; F80-F127 HydrophobicContact CB-CG 3.68Å; F80-F127 HydrophobicContact CB-CZ 4.12Å; F80-F127 HydrophobicContact CD2-CB 4.1Å; F80-F127 HydrophobicContact CD2-CG 4.4Å; F80-F127 HydrophobicContact CG-CD1 4.2Å; F80-F127 HydrophobicContact CG-CG 4.35Å; M92-F127 HydrophobicContact CE-CB 4.19Å; T125-F127 PolarHBondContact O-N 2.98Å; F127-T129 VanDerWaalsContact C-N 3.33Å; F127-T129 PolarHBondContact O-N 3.25Å; F127-T129 VanDerWaalsContact O-N 3.12Å; F127-G188 PolarHBondContact N-O 2.97Å
128	F	98.3	Very high	98.2	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.154	C	C	.	.			trans	-84.3	73.9	168.9	-62.5	-84.9	0	0	0	110.5	M92 E96 T125 S126 N131 H132 G188 A219	M92-F128 HydrophobicContact CB-CE1 4.01Å; M92-F128 HydrophobicContact CB-CZ 3.77Å; M92-F128 HydrophobicContact CE-CD1 3.7Å; M92-F128 HydrophobicContact CE-CD2 4.32Å; M92-F128 HydrophobicContact CE-CE1 3.54Å; M92-F128 HydrophobicContact CE-CE2 4.2Å; M92-F128 HydrophobicContact CE-CG 4.09Å; M92-F128 HydrophobicContact CE-CZ 3.83Å; M92-F128 HydrophobicContact CG-CE1 4.02Å; M92-F128 HydrophobicContact CG-CZ 4.29Å; E96-F128 HydrophobicContact CB-CE1 3.78Å; E96-F128 HydrophobicContact CB-CZ 4.22Å; E96-F128 HydrophobicContact CG-CE1 3.94Å; T125-F128 WeakPolarHBondContact O-CB 3.47Å; T125-F128 PolarHBondContact O-N 2.91Å; S126-F128 WeakPolarHBondContact O-CD2 3.44Å; S126-F128 PolarHBondContact O-N 2.99Å; S126-F128 VanDerWaalsContact O-N 3.16Å; F128-N131 WeakPolarHBondContact CA-OD1 3.49Å; F128-H132 HydrophobicContact CB-CB 3.78Å; F128-H132 WeakPolarHBondContact O-CB 3.36Å; F128-G188 PolarHBondContact O-N 3.13Å; F128-A219 HydrophobicContact CD2-CB 4.2Å; F128-A219 HydrophobicContact CE2-CB 3.96Å
129	T	96.8	Very high	98.3	Very high	61 Å²	61	27.5 Å²	27.5	37%	0.374	16%	0.155	S	C	.	.	S	Bend	trans	-81.6	-25.9	-169.9	53.1	0	0	0	0	114.4	F127 P187 Y189	F127-T129 VanDerWaalsContact C-N 3.33Å; F127-T129 PolarHBondContact O-N 3.25Å; F127-T129 VanDerWaalsContact O-N 3.12Å; T129-P187 WeakPolarHBondContact O-CB 3.14Å; T129-Y189 HydrophobicContact CG2-CD1 4Å; T129-Y189 HydrophobicContact CG2-CD2 4.18Å; T129-Y189 HydrophobicContact CG2-CE1 3.85Å; T129-Y189 HydrophobicContact CG2-CE2 4.05Å; T129-Y189 HydrophobicContact CG2-CG 4.2Å
130	G	95.2	Very high	98.3	Very high	72 Å²	72	24.7 Å²	24.7	74%	0.742	14%	0.143	S	C	*	.	S	Bend	trans	-131.7	-5.8	176.5	0	0	0	0	0	114.4
131	N	97.3	Very high	98.2	Very high	53 Å²	53	26.4 Å²	26.4	28%	0.283	15%	0.154	S	C	.	.	S	Bend	trans	-124.9	19.1	-176.6	60.6	-32.5	0	0	0	112.1	E96 F128 G216 G217	E96-N131 PolarHBondContact OE1-ND2 3.48Å; F128-N131 WeakPolarHBondContact CA-OD1 3.49Å; N131-G216 CarbonylContact O-C 3.33Å; N131-G216 VanDerWaalsContact O-CA 3.31Å; N131-G216 WeakPolarHBondContact O-CA 3.48Å; N131-G217 PolarHBondContact O-N 2.96Å
132	H	98.4	Very high	98.2	Very high	36 Å²	36	28.9 Å²	28.9	17%	0.167	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-66.2	155.7	169.8	62.7	-67.5	0	0	0	110.1	T125 F128 P134 G217	T125-H132 HydrophobicContact CG2-CB 4.08Å; F128-H132 HydrophobicContact CB-CB 3.78Å; F128-H132 WeakPolarHBondContact O-CB 3.36Å; H132-P134 VanDerWaalsContact O-CD 3.32Å; H132-P134 WeakPolarHBondContact O-CD 3.45Å; H132-G217 WeakPolarHBondContact CA-O 3.32Å
133	S	98.4	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.			trans	-61.2	125.9	167.9	-176.5	0	0	0	0	109.8	Y135 L185 M212 Y213 D215 G217	S133-Y135 PolarHBondContact O-N 3.32Å; S133-Y135 PolarHBondContact OG-O 3.07Å; S133-L185 WeakPolarHBondContact O-CB 2.96Å; S133-L185 WeakPolarHBondContact O-CD1 3.24Å; S133-M212 WeakPolarHBondContact OG-CA 3.18Å; S133-M212 VanDerWaalsContact OG-CB 3.29Å; S133-M212 WeakPolarHBondContact OG-CB 3.13Å; S133-Y213 PolarHBondContact OG-N 3.06Å; S133-D215 WeakPolarHBondContact CA-O 3.14Å; S133-G217 PolarHBondContact N-O 2.91Å; S133-G217 VanDerWaalsContact N-O 3.15Å
134	P	98.3	Very high	97.4	Very high	53 Å²	53	37 Å²	37	34%	0.344	21%	0.214	S	C	.	.	S	Bend	trans	-63.4	-37.7	179.5	-26.3	34.4	0	0	0	114.1	H132 P184 L185 Y213 D215	H132-P134 VanDerWaalsContact O-CD 3.32Å; H132-P134 WeakPolarHBondContact O-CD 3.45Å; P134-P184 WeakPolarHBondContact O-CA 3.44Å; P134-L185 PolarHBondContact O-N 2.92Å; P134-Y213 WeakPolarHBondContact CD-O 3.2Å; P134-D215 WeakPolarHBondContact CD-O 3.44Å
135	Y	98.8	Very high	96.9	Very high	115 Å²	115	44.3 Å²	44.3	45%	0.451	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.5	176.7	-53.4	-98	0	0	0	111.7	S133 V182 A183 P184 Y213	S133-Y135 PolarHBondContact O-N 3.32Å; S133-Y135 PolarHBondContact OG-O 3.07Å; Y135-V182 HydrophobicContact CD1-CG1 4.17Å; Y135-V182 HydrophobicContact CG-CG1 4.28Å; Y135-A183 CarbonylContact C-O 3.6Å; Y135-A183 WeakPolarHBondContact CA-O 3.25Å; Y135-A183 WeakPolarHBondContact CB-O 3.2Å; Y135-P184 HydrophobicContact CD1-CB 3.96Å; Y135-P184 HydrophobicContact CE1-CB 3.88Å; Y135-Y213 PolarHBondContact N-O 3.38Å; Y135-Y213 PolarHBondContact O-N 3.28Å; Y135-Y213 VanDerWaalsContact O-N 3.09Å
136	V	98.9	Very high	96.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.6	175.6	71.5	0	0	0	0	110.6	V123 I138 V182 A183 L185 F197 L210 N211	V123-V136 HydrophobicContact CG2-CG2 4.45Å; V136-I138 HydrophobicContact CG2-CG1 4.25Å; V136-V182 CarbonylContact O-C 3.59Å; V136-V182 WeakPolarHBondContact O-CA 3.5Å; V136-A183 PolarHBondContact N-O 3.26Å; V136-A183 PolarHBondContact O-N 2.85Å; V136-L185 HydrophobicContact CB-CD1 3.96Å; V136-L185 HydrophobicContact CB-CD2 4.23Å; V136-L185 HydrophobicContact CB-CG 4.07Å; V136-L185 HydrophobicContact CG1-CD1 4.36Å; V136-L185 HydrophobicContact CG1-CD2 3.7Å; V136-L185 HydrophobicContact CG1-CG 3.98Å; V136-F197 HydrophobicContact CG1-CE2 4.04Å; V136-F197 HydrophobicContact CG1-CZ 3.88Å; V136-L210 HydrophobicContact CG2-CD1 3.38Å; V136-N211 VanDerWaalsContact CA-O 3.29Å; V136-N211 WeakPolarHBondContact CA-O 3.37Å; V136-N211 WeakPolarHBondContact CG2-O 3.32Å
137	S	98.9	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.6	157.5	71.4	0	0	0	0	109	V180 N211 Y213	S137-V180 WeakPolarHBondContact CA-O 3.45Å; S137-V180 WeakPolarHBondContact CB-O 3.38Å; S137-N211 PolarHBondContact N-O 3.39Å; S137-N211 PolarHBondContact O-N 2.89Å; S137-N211 PolarHBondContact O-ND2 3.1Å; S137-N211 WeakPolarHBondContact OG-CB 3.17Å; S137-N211 PolarHBondContact OG-ND2 3.14Å; S137-Y213 WeakPolarHBondContact OG-CE2 3.45Å; S137-Y213 PolarHBondContact OG-OH 2.98Å
138	I	98.8	Very high	95.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	118.6	-177.8	-55.1	-178.7	0	0	0	109.2	L121 V123 V136 L179 V180 L208 R209 L210 L221	L121-I138 HydrophobicContact CD1-CD1 4.26Å; L121-I138 HydrophobicContact CD2-CD1 3.85Å; L121-I138 HydrophobicContact CD2-CG2 4.41Å; L121-I138 HydrophobicContact CG-CD1 4.45Å; V123-I138 HydrophobicContact CG2-CD1 4.11Å; V136-I138 HydrophobicContact CG2-CG1 4.25Å; I138-L179 PolarHBondContact O-N 2.9Å; I138-V180 HydrophobicContact CB-CB 4.2Å; I138-V180 HydrophobicContact CB-CG2 4.47Å; I138-V180 HydrophobicContact CG1-CB 4.5Å; I138-V180 PolarHBondContact N-O 3.1Å; I138-V180 PolarHBondContact O-N 3.18Å; I138-V180 VanDerWaalsContact O-N 3.08Å; I138-L208 HydrophobicContact CG2-CB 4.44Å; I138-L208 HydrophobicContact CG2-CD1 4.46Å; I138-L208 HydrophobicContact CG2-CD2 4.33Å; I138-R209 WeakPolarHBondContact CA-O 3.18Å; I138-L210 HydrophobicContact CD1-CD1 3.96Å; I138-L210 HydrophobicContact CG1-CD1 3.77Å; I138-L221 HydrophobicContact CD1-CD1 3.9Å
139	Q	98.6	Very high	94.5	Very high	11 Å²	11	52.6 Å²	52.6	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	162.1	168.8	-51.2	106	-40.7	0	0	111.2	W176 P177 E178 L208 R209 N211	Q139-W176 HydrophobicContact CB-CB 3.68Å; Q139-W176 WeakPolarHBondContact CG-O 3.18Å; Q139-P177 CarbonylContact C-O 3.51Å; Q139-P177 VanDerWaalsContact CA-O 3.28Å; Q139-P177 WeakPolarHBondContact CA-O 3.46Å; Q139-P177 WeakPolarHBondContact CB-O 3.42Å; Q139-E178 HydrophobicContact CG-CG 3.98Å; Q139-L208 CarbonylContact O-C 3.55Å; Q139-L208 VanDerWaalsContact O-CA 3.28Å; Q139-L208 WeakPolarHBondContact O-CA 3.08Å; Q139-R209 HydrophobicContact CB-CB 4.38Å; Q139-R209 PolarHBondContact N-O 3.45Å; Q139-R209 PolarHBondContact O-N 3.05Å; Q139-R209 PolarHBondContact OE1-O 2.99Å; Q139-N211 PolarHBondContact OE1-ND2 2.94Å
140	A	98.3	Very high	93.8	Very high	5 Å²	5	56 Å²	56	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.7	-177.2	0	0	0	0	0	113	P177 L179 V205 H207 L208	A140-P177 PolarHBondContact N-O 2.9Å; A140-P177 WeakPolarHBondContact O-CD 3.5Å; A140-L179 HydrophobicContact CB-CD1 3.48Å; A140-L179 VanDerWaalsContact CB-CD1 3.48Å; A140-L179 HydrophobicContact CB-CD2 3.98Å; A140-L179 HydrophobicContact CB-CG 3.53Å; A140-V205 HydrophobicContact CB-CB 4.47Å; A140-V205 HydrophobicContact CB-CG1 3.74Å; A140-V205 HydrophobicContact CB-CG2 3.83Å; A140-H207 WeakPolarHBondContact CA-O 3.22Å; A140-L208 HydrophobicContact CB-CD2 3.55Å
141	T	97.7	Very high	92.9	Very high	36 Å²	36	54.2 Å²	54.2	22%	0.221	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	176.2	173.2	-162.6	0	0	0	0	112.9	L143 W176 T206 H207	T141-L143 HydrophobicContact CG2-CD2 3.6Å; T141-L143 HydrophobicContact CG2-CG 3.74Å; T141-W176 HydrophobicContact CG2-CD2 3.42Å; T141-W176 VanDerWaalsContact CG2-CD2 3.42Å; T141-W176 HydrophobicContact CG2-CE3 3.75Å; T141-W176 HydrophobicContact CG2-CG 4.03Å; T141-W176 HydrophobicContact CG2-CH2 3.85Å; T141-W176 HydrophobicContact CG2-CZ2 3.54Å; T141-W176 HydrophobicContact CG2-CZ3 3.94Å; T141-T206 PolarHBondContact O-N 3.2Å; T141-T206 PolarHBondContact O-OG1 3.06Å; T141-H207 PolarHBondContact N-O 3.28Å; T141-H207 PolarHBondContact O-N 3.07Å; T141-H207 VanDerWaalsContact O-N 3.07Å
142	C	96.9	Very high	91.8	Very high	52 Å²	52	54 Å²	54	35%	0.351	31%	0.309	S	S	.	.			trans	-96.5	124.8	157.8	-77.1	0	0	0	0	109.9	R204 T206	C142-R204 PolarHBondContact SG-O 3.02Å; C142-T206 VanDerWaalsContact CA-OG1 3.25Å; C142-T206 WeakPolarHBondContact CA-OG1 3.18Å; C142-T206 HydrophobicContact CB-CG2 4.46Å
143	L	94.3	Very high	90.7	Very high	31 Å²	31	61 Å²	61	16%	0.162	34%	0.341	C	S	.	.			trans	-111.6	134.1	170.8	-62.3	-179.7	0	0	0	109.4	T141 L171 W176 T206 H207	T141-L143 HydrophobicContact CG2-CD2 3.6Å; T141-L143 HydrophobicContact CG2-CG 3.74Å; L143-L171 HydrophobicContact CD1-CD1 4.12Å; L143-L171 HydrophobicContact CD1-CD2 4.28Å; L143-W176 HydrophobicContact CD1-CH2 3.8Å; L143-W176 HydrophobicContact CD1-CZ2 3.82Å; L143-W176 HydrophobicContact CD2-CH2 4.46Å; L143-W176 HydrophobicContact CD2-CZ2 3.75Å; L143-W176 HydrophobicContact CG-CH2 4.27Å; L143-W176 HydrophobicContact CG-CZ2 4.05Å; L143-T206 PolarHBondContact N-OG1 3.36Å; L143-H207 HydrophobicContact CD1-CB 4.13Å; L143-H207 HydrophobicContact CG-CB 4.24Å
144	D	88.2	Confident	90	Very high	147 Å²	147	65.4 Å²	65.4	79%	0.786	37%	0.365	S	S	*	.	S	Bend	trans	-91.9	-29.3	172.7	-63.9	-35.7	0	0	0	111.5
145	E	86.6	Confident	89.8	Confident	160 Å²	160	63.5 Å²	63.5	75%	0.748	35%	0.351	S	S	*	.	S	Bend	trans	-118.3	139	-179.5	-63.7	-173.4	176.5	0	0	111.6
146	L	88.2	Confident	89.7	Confident	90 Å²	90	59.1 Å²	59.1	47%	0.471	34%	0.337	S	S	.	.			trans	-95.1	152.7	174.8	-68.6	179.2	0	0	0	110.5	I59 H207	I59-L146 HydrophobicContact CD1-CD2 3.84Å; L146-H207 WeakPolarHBondContact CD2-NE2 3.16Å
147	P	85.3	Confident	89.6	Confident	15 Å²	15	59.8 Å²	59.8	10%	0.097	34%	0.343	C	S	.	.			trans	-61.4	143.5	174.9	27.6	-34	0	0	0	110.5	I59 F149 V168 L171	I59-P147 HydrophobicContact CD1-CG 4.41Å; P147-F149 HydrophobicContact CB-CD1 3.97Å; P147-F149 HydrophobicContact CB-CE1 3.57Å; P147-F149 HydrophobicContact CB-CZ 4.24Å; P147-F149 HydrophobicContact CG-CE1 3.97Å; P147-F149 HydrophobicContact CG-CZ 4.14Å; P147-F149 PolarHBondContact O-N 3.3Å; P147-V168 HydrophobicContact CB-CG1 4.08Å; P147-V168 HydrophobicContact CG-CG1 4.05Å; P147-L171 HydrophobicContact CG-CD1 4.42Å
148	S	84.8	Confident	89.4	Confident	123 Å²	123	64.5 Å²	64.5	86%	0.86	37%	0.367	S	S	*	.	S	Bend	trans	-76.7	50.7	-174.7	-43.1	0	0	0	0	113.5
149	F	86.4	Confident	89.3	Confident	44 Å²	44	66.3 Å²	66.3	19%	0.193	38%	0.381	C	S	.	.			trans	-151.8	157.3	168.6	65.6	-92.6	0	0	0	110.3	I59 F60 P147 P151 Q164 A167 V168	I59-F149 WeakPolarHBondContact O-CE2 3.22Å; F60-F149 HydrophobicContact CB-CZ 4.27Å; F60-F149 AromaticContact CD2-CZ 3.86Å; F60-F149 HydrophobicContact CD2-CZ 3.86Å; P147-F149 HydrophobicContact CB-CD1 3.97Å; P147-F149 HydrophobicContact CB-CE1 3.57Å; P147-F149 HydrophobicContact CB-CZ 4.24Å; P147-F149 HydrophobicContact CG-CE1 3.97Å; P147-F149 HydrophobicContact CG-CZ 4.14Å; P147-F149 PolarHBondContact O-N 3.3Å; F149-P151 HydrophobicContact CE2-CG 4.17Å; F149-Q164 HydrophobicContact CD1-CG 4.34Å; F149-Q164 HydrophobicContact CD2-CG 4.14Å; F149-Q164 HydrophobicContact CE1-CB 4.35Å; F149-Q164 HydrophobicContact CE1-CG 4.4Å; F149-Q164 HydrophobicContact CE2-CG 4.23Å; F149-Q164 HydrophobicContact CG-CG 4.23Å; F149-Q164 HydrophobicContact CZ-CB 4.37Å; F149-Q164 HydrophobicContact CZ-CG 4.37Å; F149-A167 HydrophobicContact CD1-CB 3.77Å; F149-A167 HydrophobicContact CE1-CB 3.83Å; F149-V168 HydrophobicContact CE1-CG1 4.11Å; F149-V168 HydrophobicContact CZ-CG1 4.04Å
150	T	80.8	Confident	89.2	Confident	132 Å²	132	66.7 Å²	66.7	81%	0.81	39%	0.387	S	S	*	.			trans	-108.3	124.1	171.4	-47.9	0	0	0	0	108.3
151	P	76.4	Confident	89.1	Confident	35 Å²	35	70 Å²	70	23%	0.227	41%	0.406	C	S	.	.			trans	-57.5	141.2	169.2	-21.1	31.9	0	0	0	110.4	I59 F149	I59-P151 WeakPolarHBondContact O-CG 3.26Å; F149-P151 HydrophobicContact CE2-CG 4.17Å
152	G	74.7	Confident	89	Confident	49 Å²	49	72.4 Å²	72.4	51%	0.505	43%	0.429	S	S	.	.			trans	-62.2	157.4	169.2	0	0	0	0	0	111.7
153	E	74.5	Confident	89	Confident	182 Å²	182	73.5 Å²	73.5	85%	0.85	44%	0.442	S	S	*	.	S	Bend	trans	-65.8	-41.5	-175.4	-68.7	-166.9	160.5	0	0	113.3	K70	K70-E153 WeakPolarHBondContact CD-O 3.11Å; K70-E153 WeakPolarHBondContact CE-O 3.3Å; K70-E153 PolarHBondContact NZ-O 3.46Å
154	D	85.7	Confident	89	Confident	94 Å²	94	73.6 Å²	73.6	50%	0.503	44%	0.442	S	S	.	.			trans	-123.7	121.8	172.4	-166.4	-8.6	0	0	0	109.3	T156	D154-T156 WeakPolarHBondContact OD1-CB 3.29Å; D154-T156 PolarHBondContact OD1-N 2.65Å; D154-T156 PolarHBondContact OD1-OG1 3.08Å
155	R	93.1	Very high	89.4	Confident	12 Å²	12	70 Å²	70	5%	0.045	42%	0.422	C	S	.	.			trans	-116.6	14.9	-177	-70.2	-178.3	53.5	144.6	6	111.9	E64 G157 M158	E64-R155 HydrophobicContact CB-CB 4.22Å; E64-R155 WeakPolarHBondContact CB-O 3.38Å; E64-R155 WeakPolarHBondContact OE2-CB 3.18Å; E64-R155 WeakPolarHBondContact OE2-CD 3.39Å; E64-R155 IonicContact OE2-CZ 2.74Å; E64-R155 IonicContact OE2-NE 3.53Å; E64-R155 PolarHBondContact OE2-NE 3.41Å; R155-G157 PolarHBondContact O-N 3.48Å; R155-M158 HydrophobicContact CB-CB 4.4Å; R155-M158 HydrophobicContact CB-SD 4.4Å; R155-M158 HydrophobicContact CG-SD 4.36Å; R155-M158 VanDerWaalsContact O-CB 3.25Å; R155-M158 WeakPolarHBondContact O-CB 3.31Å; R155-M158 WeakPolarHBondContact O-CG 3.1Å; R155-M158 PolarHBondContact O-N 2.95Å
156	T	96.3	Very high	89.9	Confident	24 Å²	24	65.1 Å²	65.1	15%	0.147	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	130.6	173.1	-49.5	0	0	0	0	109.4	E64 P68 F88 D154	E64-T156 VanDerWaalsContact O-CA 3.3Å; E64-T156 WeakPolarHBondContact O-CA 3.14Å; P68-T156 WeakPolarHBondContact CD-OG1 3.41Å; F88-T156 HydrophobicContact CD2-CG2 3.6Å; F88-T156 HydrophobicContact CE2-CG2 4.2Å; F88-T156 WeakPolarHBondContact CE2-O 3.46Å; F88-T156 HydrophobicContact CG-CG2 4.44Å; D154-T156 WeakPolarHBondContact OD1-CB 3.29Å; D154-T156 PolarHBondContact OD1-N 2.65Å; D154-T156 PolarHBondContact OD1-OG1 3.08Å
157	G	96.8	Very high	90.2	Very high	13 Å²	13	61.9 Å²	61.9	13%	0.134	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	3.1	-176.7	0	0	0	0	0	115.5	E64 W65 R155	E64-G157 PolarHBondContact O-N 2.75Å; E64-G157 VanDerWaalsContact O-N 3.14Å; W65-G157 WeakPolarHBondContact CZ3-O 3.43Å; W65-G157 WeakPolarHBondContact O-CA 3.4Å; W65-G157 PolarHBondContact O-N 2.78Å; R155-G157 PolarHBondContact O-N 3.48Å
158	M	96.1	Very high	90.7	Very high	100 Å²	100	61.1 Å²	61.1	49%	0.493	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.6	-174.4	-53.3	-172.3	-174.3	0	0	113.2	E64 R155	E64-M158 PolarHBondContact N-O 2.73Å; R155-M158 HydrophobicContact CB-CB 4.4Å; R155-M158 HydrophobicContact CB-SD 4.4Å; R155-M158 HydrophobicContact CG-SD 4.36Å; R155-M158 VanDerWaalsContact O-CB 3.25Å; R155-M158 WeakPolarHBondContact O-CB 3.31Å; R155-M158 WeakPolarHBondContact O-CG 3.1Å; R155-M158 PolarHBondContact O-N 2.95Å
159	A	96.5	Very high	91.2	Very high	38 Å²	38	57.9 Å²	57.9	31%	0.314	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	160.8	160.9	0	0	0	0	0	110.8	T62 T161	T62-A159 WeakPolarHBondContact O-CA 3.35Å; A159-T161 PolarHBondContact O-N 3.17Å
160	A	96.2	Very high	91.7	Very high	19 Å²	19	64.1 Å²	64.1	16%	0.157	40%	0.398	C	S	.	.			trans	-58.6	133.8	170.2	0	0	0	0	0	111.2	F60 T62 Q164 I165	F60-A160 HydrophobicContact CE2-CB 3.57Å; F60-A160 HydrophobicContact CZ-CB 3.85Å; T62-A160 PolarHBondContact O-N 2.9Å; A160-Q164 HydrophobicContact CB-CB 4.43Å; A160-I165 HydrophobicContact CB-CD1 3.9Å; A160-I165 HydrophobicContact CB-CG1 3.93Å
161	T	95.9	Very high	92.4	Very high	74 Å²	74	59.1 Å²	59.1	45%	0.454	37%	0.367	S	S	.	.			trans	-72.1	159.3	172.2	64	0	0	0	0	110.8	A159 A163 Q164 I165	A159-T161 PolarHBondContact O-N 3.17Å; T161-A163 PolarHBondContact O-N 3.21Å; T161-Q164 PolarHBondContact O-N 2.83Å; T161-Q164 VanDerWaalsContact O-N 3.08Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.38Å; T161-Q164 PolarHBondContact OG1-N 2.87Å; T161-Q164 PolarHBondContact OG1-OE1 3.31Å; T161-I165 WeakPolarHBondContact O-CG1 3.26Å; T161-I165 PolarHBondContact O-N 2.66Å
162	A	95.9	Very high	93.3	Very high	86 Å²	86	60 Å²	60	71%	0.711	37%	0.374	S	S	*	.	H	α-helix	trans	-56.2	-36.4	174.4	0	0	0	0	0	112.5	I165 A166	A162-I165 PolarHBondContact O-N 2.95Å; A162-A166 WeakPolarHBondContact O-CB 3.42Å; A162-A166 PolarHBondContact O-N 2.71Å
163	A	95.8	Very high	94.4	Very high	75 Å²	75	57.8 Å²	57.8	62%	0.62	35%	0.35	S	S	*	.	H	α-helix	trans	-65.6	-42	175.9	0	0	0	0	0	112.4	T161 A166 A167	T161-A163 PolarHBondContact O-N 3.21Å; A163-A166 PolarHBondContact O-N 2.83Å; A163-A167 WeakPolarHBondContact O-CB 3.36Å; A163-A167 PolarHBondContact O-N 2.92Å
164	Q	95.9	Very high	95.4	Very high	34 Å²	34	53.9 Å²	53.9	16%	0.159	33%	0.332	C	S	.	.	H	α-helix	trans	-64.4	-46.6	174.9	-74.8	167.6	-30	0	0	111.1	F60 F149 A160 T161 A166 A167 V168	F60-Q164 HydrophobicContact CE2-CB 4.42Å; F149-Q164 HydrophobicContact CD1-CG 4.34Å; F149-Q164 HydrophobicContact CD2-CG 4.14Å; F149-Q164 HydrophobicContact CE1-CB 4.35Å; F149-Q164 HydrophobicContact CE1-CG 4.4Å; F149-Q164 HydrophobicContact CE2-CG 4.23Å; F149-Q164 HydrophobicContact CG-CG 4.23Å; F149-Q164 HydrophobicContact CZ-CB 4.37Å; F149-Q164 HydrophobicContact CZ-CG 4.37Å; A160-Q164 HydrophobicContact CB-CB 4.43Å; T161-Q164 PolarHBondContact O-N 2.83Å; T161-Q164 VanDerWaalsContact O-N 3.08Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.38Å; T161-Q164 PolarHBondContact OG1-N 2.87Å; T161-Q164 PolarHBondContact OG1-OE1 3.31Å; Q164-A166 VanDerWaalsContact C-N 3.33Å; Q164-A166 PolarHBondContact O-N 3.49Å; Q164-A167 WeakPolarHBondContact O-CB 3.25Å; Q164-A167 PolarHBondContact O-N 2.81Å; Q164-A167 VanDerWaalsContact O-N 3.09Å; Q164-V168 WeakPolarHBondContact O-CG2 3.49Å; Q164-V168 PolarHBondContact O-N 3.3Å
165	I	95.9	Very high	95.9	Very high	70 Å²	70	54.8 Å²	54.8	36%	0.359	34%	0.341	S	S	.	.	H	α-helix	trans	-56	-47.7	175.8	-66.9	-75.3	0	0	0	110.9	F60 A160 T161 A162 A167 V168 A169	F60-I165 HydrophobicContact CE2-CD1 4.14Å; F60-I165 HydrophobicContact CZ-CD1 3.6Å; A160-I165 HydrophobicContact CB-CD1 3.9Å; A160-I165 HydrophobicContact CB-CG1 3.93Å; T161-I165 WeakPolarHBondContact O-CG1 3.26Å; T161-I165 PolarHBondContact O-N 2.66Å; A162-I165 PolarHBondContact O-N 2.95Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 2.87Å; I165-V168 PolarHBondContact O-N 3.11Å; I165-A169 WeakPolarHBondContact O-CB 3.25Å; I165-A169 PolarHBondContact O-N 2.55Å
166	A	95.8	Very high	96.2	Very high	58 Å²	58	55.2 Å²	55.2	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-34.9	177.4	0	0	0	0	0	112.6	A162 A163 Q164	A162-A166 WeakPolarHBondContact O-CB 3.42Å; A162-A166 PolarHBondContact O-N 2.71Å; A163-A166 PolarHBondContact O-N 2.83Å; Q164-A166 VanDerWaalsContact C-N 3.33Å; Q164-A166 PolarHBondContact O-N 3.49Å
167	A	95.5	Very high	96.2	Very high	22 Å²	22	58.4 Å²	58.4	18%	0.182	36%	0.363	C	S	.	.	H	α-helix	trans	-69.1	-46.3	177.1	0	0	0	0	0	112.4	F149 A163 Q164 I165 K170	F149-A167 HydrophobicContact CD1-CB 3.77Å; F149-A167 HydrophobicContact CE1-CB 3.83Å; A163-A167 WeakPolarHBondContact O-CB 3.36Å; A163-A167 PolarHBondContact O-N 2.92Å; Q164-A167 WeakPolarHBondContact O-CB 3.25Å; Q164-A167 PolarHBondContact O-N 2.81Å; Q164-A167 VanDerWaalsContact O-N 3.09Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 2.87Å; A167-K170 WeakPolarHBondContact O-CB 3.17Å; A167-K170 PolarHBondContact O-N 2.68Å
168	V	96.3	Very high	96.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-74.5	-23.1	177.2	-88.3	0	0	0	0	113.9	F60 W107 I109 P147 F149 Q164 I165 K170 L171	F60-V168 HydrophobicContact CB-CG1 3.76Å; F60-V168 HydrophobicContact CD1-CG1 4.38Å; F60-V168 HydrophobicContact CD1-CG2 4.08Å; F60-V168 HydrophobicContact CD2-CB 4.3Å; F60-V168 HydrophobicContact CD2-CG1 3.9Å; F60-V168 HydrophobicContact CD2-CG2 3.44Å; F60-V168 VanDerWaalsContact CD2-CG2 3.44Å; F60-V168 HydrophobicContact CE1-CG2 4.06Å; F60-V168 HydrophobicContact CE2-CG2 3.38Å; F60-V168 HydrophobicContact CG-CB 4.3Å; F60-V168 HydrophobicContact CG-CG1 3.73Å; F60-V168 HydrophobicContact CG-CG2 3.8Å; F60-V168 HydrophobicContact CZ-CG2 3.73Å; W107-V168 HydrophobicContact CH2-CB 4.32Å; W107-V168 HydrophobicContact CH2-CG2 4.03Å; I109-V168 HydrophobicContact CD1-CB 4.37Å; I109-V168 HydrophobicContact CD1-CG1 3.89Å; P147-V168 HydrophobicContact CB-CG1 4.08Å; P147-V168 HydrophobicContact CG-CG1 4.05Å; F149-V168 HydrophobicContact CE1-CG1 4.11Å; F149-V168 HydrophobicContact CZ-CG1 4.04Å; Q164-V168 WeakPolarHBondContact O-CG2 3.49Å; Q164-V168 PolarHBondContact O-N 3.3Å; I165-V168 PolarHBondContact O-N 3.11Å; V168-K170 PolarHBondContact O-N 2.75Å; V168-L171 HydrophobicContact CB-CD1 4.47Å; V168-L171 HydrophobicContact CG1-CD1 3.99Å; V168-L171 VanDerWaalsContact O-CB 3.32Å; V168-L171 WeakPolarHBondContact O-CB 3.48Å; V168-L171 PolarHBondContact O-N 3.22Å
169	A	95.4	Very high	96.4	Very high	55 Å²	55	59.8 Å²	59.8	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-58.8	-27.9	173.9	0	0	0	0	0	112.7	I165 L171 S172	I165-A169 WeakPolarHBondContact O-CB 3.25Å; I165-A169 PolarHBondContact O-N 2.55Å; A169-L171 PolarHBondContact O-N 2.97Å; A169-S172 PolarHBondContact O-N 2.95Å; A169-S172 VanDerWaalsContact O-N 3.13Å
170	K	95.4	Very high	96.4	Very high	174 Å²	174	58.5 Å²	58.5	76%	0.757	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.1	175.1	-60.6	179.1	-178.1	-179.9	0	113.8	A167 V168 S172	A167-K170 WeakPolarHBondContact O-CB 3.17Å; A167-K170 PolarHBondContact O-N 2.68Å; V168-K170 PolarHBondContact O-N 2.75Å; K170-S172 VanDerWaalsContact C-N 3.29Å
171	L	95.6	Very high	96.5	Very high	28 Å²	28	59.2 Å²	59.2	15%	0.147	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.5	177.8	-55.7	178.1	0	0	0	112.9	I109 L143 P147 V168 A169 S173 W176	I109-L171 HydrophobicContact CD1-CD1 3.7Å; L143-L171 HydrophobicContact CD1-CD1 4.12Å; L143-L171 HydrophobicContact CD1-CD2 4.28Å; P147-L171 HydrophobicContact CG-CD1 4.42Å; V168-L171 HydrophobicContact CB-CD1 4.47Å; V168-L171 HydrophobicContact CG1-CD1 3.99Å; V168-L171 VanDerWaalsContact O-CB 3.32Å; V168-L171 WeakPolarHBondContact O-CB 3.48Å; V168-L171 PolarHBondContact O-N 3.22Å; A169-L171 PolarHBondContact O-N 2.97Å; L171-S173 PolarHBondContact O-N 3.24Å; L171-S173 VanDerWaalsContact O-N 3.12Å; L171-W176 HydrophobicContact CB-CZ2 4.17Å; L171-W176 PolarHBondContact O-NE1 2.9Å
172	S	96.3	Very high	96.7	Very high	54 Å²	54	59.9 Å²	59.9	38%	0.378	37%	0.367	S	S	.	.			trans	46.3	43.7	-176.7	-62	0	0	0	0	113	A169 K170 E174 V175	A169-S172 PolarHBondContact O-N 2.95Å; A169-S172 VanDerWaalsContact O-N 3.13Å; K170-S172 VanDerWaalsContact C-N 3.29Å; S172-E174 VanDerWaalsContact C-OE2 3.24Å; S172-E174 WeakPolarHBondContact CA-OE1 3.45Å; S172-E174 WeakPolarHBondContact CA-OE2 3.42Å; S172-E174 PolarHBondContact O-N 2.82Å; S172-E174 VanDerWaalsContact O-N 3.14Å; S172-V175 VanDerWaalsContact O-CG2 3.22Å; S172-V175 WeakPolarHBondContact O-CG2 3.22Å; S172-V175 PolarHBondContact O-N 3.3Å
173	S	96.9	Very high	96.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-67.9	-14	-171.9	64.8	0	0	0	0	114.3	L171 V175 W176 R209	L171-S173 PolarHBondContact O-N 3.24Å; L171-S173 VanDerWaalsContact O-N 3.12Å; S173-V175 VanDerWaalsContact C-N 3.3Å; S173-W176 VanDerWaalsContact CA-CE2 3.45Å; S173-R209 VanDerWaalsContact O-CD 3.24Å; S173-R209 WeakPolarHBondContact O-CD 3.15Å; S173-R209 PolarHBondContact OG-NH1 3.47Å
174	E	96.1	Very high	96.9	Very high	101 Å²	101	56.9 Å²	56.9	47%	0.472	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-72.6	-21.6	177.8	65.1	-70.4	164.3	0	0	113.4	S172 R209	S172-E174 VanDerWaalsContact C-OE2 3.24Å; S172-E174 WeakPolarHBondContact CA-OE1 3.45Å; S172-E174 WeakPolarHBondContact CA-OE2 3.42Å; S172-E174 PolarHBondContact O-N 2.82Å; S172-E174 VanDerWaalsContact O-N 3.14Å; E174-R209 VanDerWaalsContact CA-NH1 3.26Å; E174-R209 IonicContact OE2-NH1 2.77Å
175	V	97.1	Very high	97.1	Very high	113 Å²	113	55.7 Å²	55.7	69%	0.685	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-107.3	7.9	177.8	-63.1	0	0	0	0	113.1	S172 S173	S172-V175 VanDerWaalsContact O-CG2 3.22Å; S172-V175 WeakPolarHBondContact O-CG2 3.22Å; S172-V175 PolarHBondContact O-N 3.3Å; S173-V175 VanDerWaalsContact C-N 3.3Å
176	W	97.8	Very high	97.2	Very high	20 Å²	20	56.5 Å²	56.5	8%	0.076	33%	0.332	C	S	.	.	S	Bend	trans	-60.3	145.9	174.1	-70.3	-0.1	0	0	0	110.7	I109 Q139 T141 L143 L171 S173 E178 H207 R209	I109-W176 HydrophobicContact CD1-CH2 4.3Å; I109-W176 HydrophobicContact CG2-CH2 3.96Å; I109-W176 HydrophobicContact CG2-CZ3 4.29Å; Q139-W176 HydrophobicContact CB-CB 3.68Å; Q139-W176 WeakPolarHBondContact CG-O 3.18Å; T141-W176 HydrophobicContact CG2-CD2 3.42Å; T141-W176 VanDerWaalsContact CG2-CD2 3.42Å; T141-W176 HydrophobicContact CG2-CE3 3.75Å; T141-W176 HydrophobicContact CG2-CG 4.03Å; T141-W176 HydrophobicContact CG2-CH2 3.85Å; T141-W176 HydrophobicContact CG2-CZ2 3.54Å; T141-W176 HydrophobicContact CG2-CZ3 3.94Å; L143-W176 HydrophobicContact CD1-CH2 3.8Å; L143-W176 HydrophobicContact CD1-CZ2 3.82Å; L143-W176 HydrophobicContact CD2-CH2 4.46Å; L143-W176 HydrophobicContact CD2-CZ2 3.75Å; L143-W176 HydrophobicContact CG-CH2 4.27Å; L143-W176 HydrophobicContact CG-CZ2 4.05Å; L171-W176 HydrophobicContact CB-CZ2 4.17Å; L171-W176 PolarHBondContact O-NE1 2.9Å; S173-W176 VanDerWaalsContact CA-CE2 3.45Å; W176-E178 PolarHBondContact O-N 3.06Å; W176-H207 HydrophobicContact CH2-CB 4.12Å; W176-H207 HydrophobicContact CZ3-CB 4.13Å; W176-R209 HydrophobicContact CE3-CB 4.01Å; W176-R209 HydrophobicContact CZ3-CB 4.06Å
177	P	97.6	Very high	97.3	Very high	91 Å²	91	54.5 Å²	54.5	59%	0.591	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-56.1	134.4	176.4	-26.6	34.5	0	0	0	112.7	Q139 A140	Q139-P177 CarbonylContact C-O 3.51Å; Q139-P177 VanDerWaalsContact CA-O 3.28Å; Q139-P177 WeakPolarHBondContact CA-O 3.46Å; Q139-P177 WeakPolarHBondContact CB-O 3.42Å; A140-P177 PolarHBondContact N-O 2.9Å; A140-P177 WeakPolarHBondContact O-CD 3.5Å
178	E	97.4	Very high	97.3	Very high	115 Å²	115	53.7 Å²	53.7	54%	0.537	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.1	176.7	-61.4	-170	141.4	0	0	111.1	Q139 W176 G181	Q139-E178 HydrophobicContact CG-CG 3.98Å; W176-E178 PolarHBondContact O-N 3.06Å; E178-G181 WeakPolarHBondContact OE2-CA 3.32Å
179	L	97.9	Very high	97.4	Very high	27 Å²	27	58.6 Å²	58.6	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-34.2	161.3	-60.6	-173	0	0	0	111	I118 I138 A140 V199 L208	I118-L179 HydrophobicContact CB-CD1 4.42Å; I118-L179 HydrophobicContact CD1-CD1 3.53Å; I118-L179 HydrophobicContact CG2-CD1 4.42Å; I138-L179 PolarHBondContact O-N 2.9Å; A140-L179 HydrophobicContact CB-CD1 3.48Å; A140-L179 VanDerWaalsContact CB-CD1 3.48Å; A140-L179 HydrophobicContact CB-CD2 3.98Å; A140-L179 HydrophobicContact CB-CG 3.53Å; L179-V199 HydrophobicContact CB-CG1 4.36Å; L179-V199 HydrophobicContact CB-CG2 4.15Å; L179-V199 HydrophobicContact CD2-CG1 3.92Å; L179-V199 HydrophobicContact CG-CG1 4.5Å; L179-L208 HydrophobicContact CD1-CD2 3.93Å
180	V	98.4	Very high	97.4	Very high	12 Å²	12	58.5 Å²	58.5	7%	0.073	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	113.4	179	-177.4	0	0	0	0	107.2	L121 S137 I138 A183 F197	L121-V180 HydrophobicContact CD1-CG2 3.49Å; L121-V180 VanDerWaalsContact CD1-CG2 3.49Å; S137-V180 WeakPolarHBondContact CA-O 3.45Å; S137-V180 WeakPolarHBondContact CB-O 3.38Å; I138-V180 HydrophobicContact CB-CB 4.2Å; I138-V180 HydrophobicContact CB-CG2 4.47Å; I138-V180 HydrophobicContact CG1-CB 4.5Å; I138-V180 PolarHBondContact N-O 3.1Å; I138-V180 PolarHBondContact O-N 3.18Å; I138-V180 VanDerWaalsContact O-N 3.08Å; V180-A183 HydrophobicContact CG1-CB 4.47Å; V180-F197 HydrophobicContact CG1-CB 4.34Å; V180-F197 HydrophobicContact CG1-CD1 3.6Å; V180-F197 HydrophobicContact CG1-CD2 4.45Å; V180-F197 HydrophobicContact CG1-CE1 3.97Å; V180-F197 HydrophobicContact CG1-CG 3.87Å; V180-F197 HydrophobicContact CG2-CB 3.64Å; V180-F197 HydrophobicContact CG2-CD1 4.46Å; V180-F197 HydrophobicContact CG2-CG 4.01Å
181	G	98.2	Very high	97.3	Very high	33 Å²	33	58.2 Å²	58.2	34%	0.34	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	174.6	169.4	0	0	0	0	0	111.4	E178 A183	E178-G181 WeakPolarHBondContact OE2-CA 3.32Å; G181-A183 PolarHBondContact O-N 2.88Å; G181-A183 VanDerWaalsContact O-N 3.1Å
182	V	98.6	Very high	97.3	Very high	89 Å²	89	62.2 Å²	62.2	54%	0.539	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	119.8	-177.2	-178.4	0	0	0	0	111.2	Y135 V136 Y213	Y135-V182 HydrophobicContact CD1-CG1 4.17Å; Y135-V182 HydrophobicContact CG-CG1 4.28Å; V136-V182 CarbonylContact O-C 3.59Å; V136-V182 WeakPolarHBondContact O-CA 3.5Å; V182-Y213 HydrophobicContact CG2-CE2 4.07Å
183	A	98.6	Very high	97.3	Very high	16 Å²	16	59.8 Å²	59.8	13%	0.132	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	144	-177.6	0	0	0	0	0	111.4	Y135 V136 V180 G181 F197	Y135-A183 CarbonylContact C-O 3.6Å; Y135-A183 WeakPolarHBondContact CA-O 3.25Å; Y135-A183 WeakPolarHBondContact CB-O 3.2Å; V136-A183 PolarHBondContact N-O 3.26Å; V136-A183 PolarHBondContact O-N 2.85Å; V180-A183 HydrophobicContact CG1-CB 4.47Å; G181-A183 PolarHBondContact O-N 2.88Å; G181-A183 VanDerWaalsContact O-N 3.1Å; A183-F197 HydrophobicContact CB-CE1 3.56Å; A183-F197 HydrophobicContact CB-CZ 4.04Å
184	P	98.6	Very high	97.4	Very high	82 Å²	82	63.1 Å²	63.1	53%	0.532	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.4	177.4	29.9	-34.4	0	0	0	111	P134 Y135	P134-P184 WeakPolarHBondContact O-CA 3.44Å; Y135-P184 HydrophobicContact CD1-CB 3.96Å; Y135-P184 HydrophobicContact CE1-CB 3.88Å
185	L	98.6	Very high	97.5	Very high	8 Å²	8	59 Å²	59	4%	0.042	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-102	148.8	170.5	-68	177.6	0	0	0	110.9	V123 T125 S133 P134 V136 N195 F197 I218	V123-L185 HydrophobicContact CB-CD2 3.96Å; V123-L185 HydrophobicContact CG1-CD1 3.91Å; V123-L185 HydrophobicContact CG1-CD2 3.76Å; T125-L185 HydrophobicContact CG2-CB 4.24Å; T125-L185 HydrophobicContact CG2-CD1 4.02Å; S133-L185 WeakPolarHBondContact O-CB 2.96Å; S133-L185 WeakPolarHBondContact O-CD1 3.24Å; P134-L185 PolarHBondContact O-N 2.92Å; V136-L185 HydrophobicContact CB-CD1 3.96Å; V136-L185 HydrophobicContact CB-CD2 4.23Å; V136-L185 HydrophobicContact CB-CG 4.07Å; V136-L185 HydrophobicContact CG1-CD1 4.36Å; V136-L185 HydrophobicContact CG1-CD2 3.7Å; V136-L185 HydrophobicContact CG1-CG 3.98Å; L185-N195 HydrophobicContact CD2-CB 3.62Å; L185-F197 HydrophobicContact CD2-CE2 4.33Å; L185-F197 HydrophobicContact CD2-CZ 4.27Å; L185-I218 HydrophobicContact CD1-CD1 4.21Å; L185-I218 HydrophobicContact CD1-CG1 4.29Å
186	Q	98.4	Very high	97.5	Very high	87 Å²	87	57.4 Å²	57.4	41%	0.407	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-84.6	149.8	169.8	-65.4	-60.2	-48.3	0	0	110.9	T125 R192 N195	T125-Q186 WeakPolarHBondContact CB-O 3.41Å; T125-Q186 PolarHBondContact OG1-O 3.02Å; Q186-R192 HydrophobicContact CB-CB 4.2Å; Q186-R192 HydrophobicContact CB-CG 4.42Å; Q186-R192 WeakPolarHBondContact CB-O 3.44Å; Q186-N195 PolarHBondContact N-OD1 3.49Å
187	P	97.7	Very high	97.5	Very high	16 Å²	16	58.1 Å²	58.1	10%	0.104	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-68.9	155.1	176.1	26.9	-35	0	0	0	112.6	T129 Y189 R192	T129-P187 WeakPolarHBondContact O-CB 3.14Å; P187-Y189 HydrophobicContact CB-CD2 3.87Å; P187-Y189 HydrophobicContact CB-CE2 3.84Å; P187-Y189 HydrophobicContact CG-CD2 3.86Å; P187-Y189 HydrophobicContact CG-CE2 3.93Å; P187-Y189 PolarHBondContact O-N 3.28Å; P187-R192 VanDerWaalsContact CG-NH2 3.34Å
188	G	97.1	Very high	97.6	Very high	5 Å²	5	60.6 Å²	60.6	5%	0.052	30%	0.304	C	S	.	.	S	Bend	trans	-68.4	35.1	-169.5	0	0	0	0	0	119.1	T125 F127 F128	T125-G188 WeakPolarHBondContact O-CA 3.5Å; T125-G188 PolarHBondContact OG1-N 2.91Å; F127-G188 PolarHBondContact N-O 2.97Å; F128-G188 PolarHBondContact O-N 3.13Å
189	Y	97.4	Very high	97.6	Very high	104 Å²	104	55.7 Å²	55.7	41%	0.408	28%	0.282	S	S	.	.			trans	-81.4	146.7	172	-60.5	-90.5	0	0	0	110.3	T129 P187 E191 R192 C193	T129-Y189 HydrophobicContact CG2-CD1 4Å; T129-Y189 HydrophobicContact CG2-CD2 4.18Å; T129-Y189 HydrophobicContact CG2-CE1 3.85Å; T129-Y189 HydrophobicContact CG2-CE2 4.05Å; T129-Y189 HydrophobicContact CG2-CG 4.2Å; P187-Y189 HydrophobicContact CB-CD2 3.87Å; P187-Y189 HydrophobicContact CB-CE2 3.84Å; P187-Y189 HydrophobicContact CG-CD2 3.86Å; P187-Y189 HydrophobicContact CG-CE2 3.93Å; P187-Y189 PolarHBondContact O-N 3.28Å; Y189-E191 PolarHBondContact O-N 3.02Å; Y189-R192 PolarHBondContact O-N 2.84Å; Y189-C193 VanDerWaalsContact O-CB 3.27Å; Y189-C193 WeakPolarHBondContact O-CB 3.44Å; Y189-C193 PolarHBondContact O-N 2.8Å; Y189-C193 PolarHBondContact O-SG 3.08Å
190	A	95	Very high	97.3	Very high	53 Å²	53	59.5 Å²	59.5	44%	0.438	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.3	-169.7	0	0	0	0	0	114.2
191	E	94.3	Very high	96.9	Very high	168 Å²	168	61.3 Å²	61.3	79%	0.785	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-17.2	-175.9	-54.3	74.1	-158.8	0	0	113.4	Y189	Y189-E191 PolarHBondContact O-N 3.02Å
192	R	94.9	Very high	96.5	Very high	111 Å²	111	70.3 Å²	70.3	42%	0.419	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	3.9	-171.1	59.9	173.9	171.7	174.4	2	115.2	Q186 P187 Y189 H194	Q186-R192 HydrophobicContact CB-CB 4.2Å; Q186-R192 HydrophobicContact CB-CG 4.42Å; Q186-R192 WeakPolarHBondContact CB-O 3.44Å; P187-R192 VanDerWaalsContact CG-NH2 3.34Å; Y189-R192 PolarHBondContact O-N 2.84Å; R192-H194 VanDerWaalsContact C-N 3.27Å; R192-H194 PolarHBondContact O-N 2.87Å
193	C	97.3	Very high	96.2	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.02	35%	0.348	C	S	.	.			trans	-65.1	-26.1	-178	51.5	0	0	0	0	114.2	D124 T125 S126 Y189 N195	D124-C193 CarbonylContact C-O 3.6Å; D124-C193 WeakPolarHBondContact CA-O 3.48Å; T125-C193 PolarHBondContact N-O 2.85Å; T125-C193 PolarHBondContact OG1-O 2.77Å; S126-C193 PolarHBondContact OG-SG 2.96Å; Y189-C193 VanDerWaalsContact O-CB 3.27Å; Y189-C193 WeakPolarHBondContact O-CB 3.44Å; Y189-C193 PolarHBondContact O-N 2.8Å; Y189-C193 PolarHBondContact O-SG 3.08Å; C193-N195 PolarHBondContact O-ND2 3.48Å
194	H	97.9	Very high	96.1	Very high	71 Å²	71	73.7 Å²	73.7	33%	0.329	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.8	178.1	-65.4	-76.8	0	0	0	111.4	D122 D124 R192 Y196	D122-H194 WeakPolarHBondContact OD1-CA 3.31Å; D122-H194 IonicContact OD1-CG 2.7Å; D122-H194 IonicContact OD1-ND1 3.88Å; D122-H194 PolarHBondContact OD1-ND1 2.88Å; D122-H194 IonicContact OD2-CE1 3.91Å; D122-H194 IonicContact OD2-CG 3.61Å; D122-H194 IonicContact OD2-ND1 3.49Å; D122-H194 PolarHBondContact OD2-ND1 2.87Å; D124-H194 IonicContact OD2-CE1 3.37Å; R192-H194 VanDerWaalsContact C-N 3.27Å; R192-H194 PolarHBondContact O-N 2.87Å; H194-Y196 HydrophobicContact CB-CE1 4Å; H194-Y196 HydrophobicContact CB-CE2 3.85Å; H194-Y196 WeakPolarHBondContact CB-OH 3.08Å
195	N	98.1	Very high	96	Very high	15 Å²	15	70 Å²	70	8%	0.08	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	102.8	178.9	-57.9	-93.7	0	0	0	108.6	D122 V123 L185 Q186 C193 F197	D122-N195 WeakPolarHBondContact CA-O 3.47Å; D122-N195 PolarHBondContact OD1-N 3.41Å; V123-N195 HydrophobicContact CB-CB 4.32Å; V123-N195 PolarHBondContact N-O 2.92Å; V123-N195 WeakPolarHBondContact O-CB 3.4Å; V123-N195 PolarHBondContact O-N 2.9Å; V123-N195 VanDerWaalsContact O-N 3.16Å; V123-N195 PolarHBondContact O-ND2 3.12Å; L185-N195 HydrophobicContact CD2-CB 3.62Å; Q186-N195 PolarHBondContact N-OD1 3.49Å; C193-N195 PolarHBondContact O-ND2 3.48Å; N195-F197 HydrophobicContact CB-CE2 3.92Å; N195-F197 HydrophobicContact CB-CZ 4.19Å; N195-F197 WeakPolarHBondContact O-CD2 3.44Å; N195-F197 WeakPolarHBondContact O-CE2 3.41Å
196	Y	98.3	Very high	96	Very high	80 Å²	80	70.3 Å²	70.3	31%	0.314	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128	-172.1	-63	-54.4	0	0	0	112.5	P41 F43 L44 L121 D122 H194	P41-Y196 HydrophobicContact CG-CD2 4.05Å; P41-Y196 HydrophobicContact CG-CG 3.98Å; F43-Y196 HydrophobicContact CE2-CD1 4.43Å; F43-Y196 HydrophobicContact CZ-CD1 4.34Å; F43-Y196 HydrophobicContact CZ-CG 4.5Å; L44-Y196 HydrophobicContact CD1-CE1 3.92Å; L44-Y196 HydrophobicContact CD2-CD1 4.06Å; L44-Y196 HydrophobicContact CD2-CE1 3.75Å; L44-Y196 HydrophobicContact CG-CE1 4.43Å; L121-Y196 WeakPolarHBondContact O-CA 3.13Å; D122-Y196 HydrophobicContact CB-CD1 3.75Å; D122-Y196 HydrophobicContact CB-CE1 3.72Å; D122-Y196 VanDerWaalsContact CG-CE1 3.45Å; H194-Y196 HydrophobicContact CB-CE1 4Å; H194-Y196 HydrophobicContact CB-CE2 3.85Å; H194-Y196 WeakPolarHBondContact CB-OH 3.08Å
197	F	98.1	Very high	96	Very high	35 Å²	35	66.5 Å²	66.5	15%	0.154	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119	178	-57.2	-79.7	0	0	0	110.7	G120 L121 V123 V136 V180 A183 L185 N195	G120-F197 CarbonylContact C-O 3.58Å; G120-F197 WeakPolarHBondContact CA-O 3.45Å; L121-F197 HydrophobicContact CB-CB 4.44Å; L121-F197 HydrophobicContact CD1-CB 4.4Å; L121-F197 PolarHBondContact N-O 3.34Å; L121-F197 PolarHBondContact O-N 3.28Å; V123-F197 HydrophobicContact CB-CE2 4.18Å; V123-F197 HydrophobicContact CG2-CD2 4.11Å; V123-F197 HydrophobicContact CG2-CE2 3.81Å; V136-F197 HydrophobicContact CG1-CE2 4.04Å; V136-F197 HydrophobicContact CG1-CZ 3.88Å; V180-F197 HydrophobicContact CG1-CB 4.34Å; V180-F197 HydrophobicContact CG1-CD1 3.6Å; V180-F197 HydrophobicContact CG1-CD2 4.45Å; V180-F197 HydrophobicContact CG1-CE1 3.97Å; V180-F197 HydrophobicContact CG1-CG 3.87Å; V180-F197 HydrophobicContact CG2-CB 3.64Å; V180-F197 HydrophobicContact CG2-CD1 4.46Å; V180-F197 HydrophobicContact CG2-CG 4.01Å; A183-F197 HydrophobicContact CB-CE1 3.56Å; A183-F197 HydrophobicContact CB-CZ 4.04Å; L185-F197 HydrophobicContact CD2-CE2 4.33Å; L185-F197 HydrophobicContact CD2-CZ 4.27Å; N195-F197 HydrophobicContact CB-CE2 3.92Å; N195-F197 HydrophobicContact CB-CZ 4.19Å; N195-F197 WeakPolarHBondContact O-CD2 3.44Å; N195-F197 WeakPolarHBondContact O-CE2 3.41Å
198	R	97.9	Very high	96.1	Very high	143 Å²	143	65.7 Å²	65.7	54%	0.54	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	134.2	172.8	-170.2	179.7	-161.4	80.6	-1.6	109.7	D42 F43	D42-R198 IonicContact OD1-CZ 3.46Å; D42-R198 IonicContact OD1-NH1 3.91Å; D42-R198 PolarHBondContact OD1-NH1 2.8Å; D42-R198 IonicContact OD1-NH2 3.81Å; D42-R198 PolarHBondContact OD1-NH2 3.05Å; D42-R198 IonicContact OD2-CZ 2.76Å; D42-R198 IonicContact OD2-NH1 3.62Å; D42-R198 IonicContact OD2-NH2 3.74Å; D42-R198 PolarHBondContact OD2-NH2 3.11Å; F43-R198 HydrophobicContact CE1-CB 4.29Å
199	V	97.3	Very high	96.1	Very high	11 Å²	11	66.1 Å²	66.1	7%	0.067	31%	0.314	C	S	.	.			trans	-106.9	131.1	176.3	176.8	0	0	0	0	109.5	I118 H119 L121 L179	I118-V199 HydrophobicContact CB-CG1 4.44Å; I118-V199 HydrophobicContact CG2-CB 4.17Å; I118-V199 HydrophobicContact CG2-CG1 4.4Å; I118-V199 HydrophobicContact CG2-CG2 3.92Å; I118-V199 WeakPolarHBondContact O-CG1 3.23Å; H119-V199 PolarHBondContact O-N 3.24Å; L121-V199 HydrophobicContact CD1-CG2 3.35Å; L121-V199 HydrophobicContact CG-CG2 4.28Å; L179-V199 HydrophobicContact CB-CG1 4.36Å; L179-V199 HydrophobicContact CB-CG2 4.15Å; L179-V199 HydrophobicContact CD2-CG1 3.92Å; L179-V199 HydrophobicContact CG-CG1 4.5Å
200	S	92.1	Very high	96.2	Very high	107 Å²	107	61.2 Å²	61.2	75%	0.748	30%	0.295	S	S	*	.			trans	-103.6	-9.8	178.9	-61.7	0	0	0	0	113.2
201	S	90.9	Very high	96.4	Very high	50 Å²	50	58.7 Å²	58.7	35%	0.35	27%	0.274	S	S	.	.			trans	-59.6	136.5	175.6	-177.8	0	0	0	0	110.8	S203	S201-S203 PolarHBondContact OG-N 2.78Å
202	R	88.8	Confident	96.6	Very high	223 Å²	223	50.7 Å²	50.7	84%	0.842	24%	0.237	S	C	*	.			trans	-108.5	13.8	177.1	-61.9	-171.9	178.1	175.8	-0.2	112.6	L117	L117-R202 WeakPolarHBondContact CD2-O 3.26Å
203	S	93.6	Very high	96.8	Very high	77 Å²	77	47.9 Å²	47.9	54%	0.538	23%	0.226	S	C	.	.	S	Bend	trans	-85	145.2	179.5	-59.4	0	0	0	0	111	L117 S201	L117-S203 WeakPolarHBondContact CD2-O 3.38Å; S201-S203 PolarHBondContact OG-N 2.78Å
204	R	95.5	Very high	96.8	Very high	99 Å²	99	50.7 Å²	50.7	37%	0.374	25%	0.245	S	C	.	.			trans	-64.8	137.2	169.5	-170.4	172.2	170.4	-85.4	9.2	109.8	P115 C142 T206 Q228	P115-R204 VanDerWaalsContact CB-CZ 3.44Å; C142-R204 PolarHBondContact SG-O 3.02Å; R204-T206 VanDerWaalsContact NH1-CG2 3.34Å; R204-Q228 VanDerWaalsContact CB-OE1 3.28Å; R204-Q228 HydrophobicContact CG-CB 4.21Å; R204-Q228 PolarHBondContact NE-O 3.1Å; R204-Q228 VanDerWaalsContact NE-O 3.12Å
205	V	97.5	Very high	96.9	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.9	178.4	176.6	0	0	0	0	110	L112 P115 G116 I118 A140 H207 L208	L112-V205 HydrophobicContact CD1-CB 4.28Å; L112-V205 HydrophobicContact CD1-CG1 3.87Å; P115-V205 CarbonylContact C-O 3.46Å; P115-V205 VanDerWaalsContact CA-O 3.26Å; P115-V205 WeakPolarHBondContact CA-O 3.49Å; G116-V205 PolarHBondContact N-O 3.15Å; G116-V205 PolarHBondContact O-N 3.24Å; I118-V205 HydrophobicContact CD1-CB 3.89Å; I118-V205 HydrophobicContact CD1-CG1 3.83Å; I118-V205 HydrophobicContact CD1-CG2 4.02Å; I118-V205 HydrophobicContact CG1-CB 4.44Å; A140-V205 HydrophobicContact CB-CB 4.47Å; A140-V205 HydrophobicContact CB-CG1 3.74Å; A140-V205 HydrophobicContact CB-CG2 3.83Å; V205-H207 WeakPolarHBondContact CG1-O 3.44Å; V205-L208 HydrophobicContact CG1-CD2 3.78Å
206	T	98	Very high	96.9	Very high	14 Å²	14	48.2 Å²	48.2	9%	0.086	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-26.9	170.6	59.2	0	0	0	0	112.1	L112 P115 T141 C142 L143 R204	L112-T206 WeakPolarHBondContact CB-O 3.34Å; L112-T206 PolarHBondContact N-O 3.15Å; P115-T206 HydrophobicContact CB-CG2 3.85Å; P115-T206 HydrophobicContact CG-CG2 4.02Å; T141-T206 PolarHBondContact O-N 3.2Å; T141-T206 PolarHBondContact O-OG1 3.06Å; C142-T206 VanDerWaalsContact CA-OG1 3.25Å; C142-T206 WeakPolarHBondContact CA-OG1 3.18Å; C142-T206 HydrophobicContact CB-CG2 4.46Å; L143-T206 PolarHBondContact N-OG1 3.36Å; R204-T206 VanDerWaalsContact NH1-CG2 3.34Å
207	H	98.5	Very high	96.9	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.9	-175.3	-66.2	80.7	0	0	0	111.1	I110 Q111 A140 T141 L143 L146 W176 V205	I110-H207 CarbonylContact O-C 3.46Å; I110-H207 WeakPolarHBondContact O-CA 3.33Å; Q111-H207 WeakPolarHBondContact CG-NE2 3.49Å; A140-H207 WeakPolarHBondContact CA-O 3.22Å; T141-H207 PolarHBondContact N-O 3.28Å; T141-H207 PolarHBondContact O-N 3.07Å; T141-H207 VanDerWaalsContact O-N 3.07Å; L143-H207 HydrophobicContact CD1-CB 4.13Å; L143-H207 HydrophobicContact CG-CB 4.24Å; L146-H207 WeakPolarHBondContact CD2-NE2 3.16Å; W176-H207 HydrophobicContact CH2-CB 4.12Å; W176-H207 HydrophobicContact CZ3-CB 4.13Å; V205-H207 WeakPolarHBondContact CG1-O 3.44Å
208	L	98.8	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.6	172.8	-56.9	-178.7	0	0	0	110.1	I109 I110 L112 I118 L121 I138 Q139 A140 L179 V205 L221 V223	I109-L208 CarbonylContact C-O 3.54Å; I109-L208 WeakPolarHBondContact CA-O 3.32Å; I110-L208 HydrophobicContact CB-CB 4.32Å; I110-L208 PolarHBondContact N-O 2.88Å; I110-L208 PolarHBondContact O-N 3.36Å; L112-L208 HydrophobicContact CD2-CD1 4.04Å; L112-L208 HydrophobicContact CD2-CG 4.13Å; I118-L208 HydrophobicContact CD1-CD2 3.77Å; L121-L208 HydrophobicContact CD2-CD1 4.38Å; I138-L208 HydrophobicContact CG2-CB 4.44Å; I138-L208 HydrophobicContact CG2-CD1 4.46Å; I138-L208 HydrophobicContact CG2-CD2 4.33Å; Q139-L208 CarbonylContact O-C 3.55Å; Q139-L208 VanDerWaalsContact O-CA 3.28Å; Q139-L208 WeakPolarHBondContact O-CA 3.08Å; A140-L208 HydrophobicContact CB-CD2 3.55Å; L179-L208 HydrophobicContact CD1-CD2 3.93Å; V205-L208 HydrophobicContact CG1-CD2 3.78Å; L208-L221 HydrophobicContact CD1-CD2 4.23Å; L208-V223 HydrophobicContact CD1-CB 4.43Å; L208-V223 HydrophobicContact CD1-CG1 4.07Å; L208-V223 HydrophobicContact CD1-CG2 3.48Å; L208-V223 VanDerWaalsContact CD1-CG2 3.48Å
209	R	98.7	Very high	97	Very high	14 Å²	14	36 Å²	36	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.5	160.2	177	177.7	176	154.2	-3.6	107.7	W107 C108 I138 Q139 S173 E174 W176 N211	W107-R209 HydrophobicContact CE3-CG 4.14Å; C108-R209 WeakPolarHBondContact O-CA 3.27Å; I138-R209 WeakPolarHBondContact CA-O 3.18Å; Q139-R209 HydrophobicContact CB-CB 4.38Å; Q139-R209 PolarHBondContact N-O 3.45Å; Q139-R209 PolarHBondContact O-N 3.05Å; Q139-R209 PolarHBondContact OE1-O 2.99Å; S173-R209 VanDerWaalsContact O-CD 3.24Å; S173-R209 WeakPolarHBondContact O-CD 3.15Å; S173-R209 PolarHBondContact OG-NH1 3.47Å; E174-R209 VanDerWaalsContact CA-NH1 3.26Å; E174-R209 IonicContact OE2-NH1 2.77Å; W176-R209 HydrophobicContact CE3-CB 4.01Å; W176-R209 HydrophobicContact CZ3-CB 4.06Å; R209-N211 PolarHBondContact NE-OD1 2.95Å
210	L	98.9	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125	173.4	174.7	69.4	0	0	0	108.2	L72 W95 W107 C108 I110 V136 I138 I218 L221	L72-L210 HydrophobicContact CD1-CD2 3.82Å; L72-L210 HydrophobicContact CD2-CD2 4.42Å; W95-L210 HydrophobicContact CE3-CD2 4.14Å; W95-L210 HydrophobicContact CZ3-CD2 4.02Å; W95-L210 HydrophobicContact CZ3-CG 4.38Å; W107-L210 CarbonylContact C-O 3.52Å; W107-L210 WeakPolarHBondContact CA-O 3.48Å; W107-L210 VanDerWaalsContact CB-O 3.25Å; W107-L210 WeakPolarHBondContact CB-O 3.12Å; C108-L210 PolarHBondContact N-O 3.1Å; C108-L210 PolarHBondContact O-N 2.76Å; I110-L210 HydrophobicContact CD1-CB 4.31Å; V136-L210 HydrophobicContact CG2-CD1 3.38Å; I138-L210 HydrophobicContact CD1-CD1 3.96Å; I138-L210 HydrophobicContact CG1-CD1 3.77Å; L210-I218 HydrophobicContact CD1-CD1 4.44Å; L210-I218 HydrophobicContact CD2-CD1 4.15Å; L210-L221 HydrophobicContact CD2-CD2 4.49Å
211	N	98.9	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.2	175.5	-53.6	-80.7	0	0	0	110.6	H105 W107 V136 S137 Q139 R209 Y213	H105-N211 PolarHBondContact NE2-OD1 3.28Å; W107-N211 HydrophobicContact CB-CB 4.44Å; W107-N211 WeakPolarHBondContact CB-OD1 3.36Å; V136-N211 VanDerWaalsContact CA-O 3.29Å; V136-N211 WeakPolarHBondContact CA-O 3.37Å; V136-N211 WeakPolarHBondContact CG2-O 3.32Å; S137-N211 PolarHBondContact N-O 3.39Å; S137-N211 PolarHBondContact O-N 2.89Å; S137-N211 PolarHBondContact O-ND2 3.1Å; S137-N211 WeakPolarHBondContact OG-CB 3.17Å; S137-N211 PolarHBondContact OG-ND2 3.14Å; Q139-N211 PolarHBondContact OE1-ND2 2.94Å; R209-N211 PolarHBondContact NE-OD1 2.95Å; N211-Y213 HydrophobicContact CB-CD2 4.31Å; N211-Y213 HydrophobicContact CB-CE1 4.5Å; N211-Y213 HydrophobicContact CB-CE2 3.52Å
212	M	98.7	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.5	171.2	-78	176.3	25.8	0	0	109.4	W95 T97 H105 D106 S133 P214 G216 I218	W95-M212 HydrophobicContact CD2-SD 3.96Å; W95-M212 HydrophobicContact CE3-CG 4.35Å; W95-M212 HydrophobicContact CE3-SD 3.32Å; W95-M212 HydrophobicContact CH2-CG 4.36Å; W95-M212 HydrophobicContact CH2-SD 3.9Å; W95-M212 HydrophobicContact CZ2-SD 4.49Å; W95-M212 HydrophobicContact CZ3-CG 3.8Å; W95-M212 HydrophobicContact CZ3-SD 3.3Å; W95-M212 WeakPolarHBondContact CZ3-SD 3.4Å; T97-M212 HydrophobicContact CG2-CE 4.14Å; H105-M212 WeakPolarHBondContact CB-O 3.42Å; D106-M212 PolarHBondContact N-O 2.93Å; D106-M212 PolarHBondContact O-N 2.81Å; S133-M212 WeakPolarHBondContact OG-CA 3.18Å; S133-M212 VanDerWaalsContact OG-CB 3.29Å; S133-M212 WeakPolarHBondContact OG-CB 3.13Å; M212-P214 CarbonylContact O-C 3.25Å; M212-P214 VanDerWaalsContact O-C 3.25Å; M212-P214 VanDerWaalsContact O-O 3.11Å; M212-G216 VanDerWaalsContact CE-N 3.26Å; M212-G216 WeakPolarHBondContact CE-O 3.09Å; M212-I218 HydrophobicContact CG-CD1 3.53Å; M212-I218 HydrophobicContact CG-CG1 4.23Å; M212-I218 HydrophobicContact SD-CD1 3.76Å; M212-I218 HydrophobicContact SD-CG1 3.93Å
213	Y	98.6	Very high	98.2	Very high	52 Å²	52	19 Å²	19	20%	0.204	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.9	-176.4	-58	-91.7	0	0	0	113	H105 S133 P134 Y135 S137 V182 N211	H105-Y213 HydrophobicContact CB-CD1 3.59Å; H105-Y213 HydrophobicContact CB-CE1 4.06Å; H105-Y213 HydrophobicContact CB-CG 4.28Å; H105-Y213 AromaticContact CD2-CD1 3.97Å; H105-Y213 AromaticContact CD2-CE1 3.64Å; H105-Y213 AromaticContact CE1-CE1 3.56Å; H105-Y213 AromaticContact CG-CD1 3.54Å; H105-Y213 AromaticContact CG-CE1 3.46Å; H105-Y213 VanDerWaalsContact CG-CE1 3.46Å; H105-Y213 AromaticContact ND1-CD1 3.86Å; H105-Y213 AromaticContact ND1-CE1 3.43Å; H105-Y213 WeakPolarHBondContact ND1-CE1 3.5Å; H105-Y213 AromaticContact NE2-CE1 3.69Å; H105-Y213 AromaticContact NE2-CZ 3.9Å; S133-Y213 PolarHBondContact OG-N 3.06Å; P134-Y213 WeakPolarHBondContact CD-O 3.2Å; Y135-Y213 PolarHBondContact N-O 3.38Å; Y135-Y213 PolarHBondContact O-N 3.28Å; Y135-Y213 VanDerWaalsContact O-N 3.09Å; S137-Y213 WeakPolarHBondContact OG-CE2 3.45Å; S137-Y213 PolarHBondContact OG-OH 2.98Å; V182-Y213 HydrophobicContact CG2-CE2 4.07Å; N211-Y213 HydrophobicContact CB-CD2 4.31Å; N211-Y213 HydrophobicContact CB-CE1 4.5Å; N211-Y213 HydrophobicContact CB-CE2 3.52Å
214	P	98.4	Very high	98.4	Very high	63 Å²	63	16 Å²	16	41%	0.409	8%	0.076	S	C	.	.	S	Bend	cis	-78.5	-26.7	-15.7	30.6	-32.1	0	0	0	113.4	K100 H105 D106 M212	K100-P214 HydrophobicContact CD-CB 4.34Å; H105-P214 CarbonylContact C-O 3.53Å; H105-P214 VanDerWaalsContact CA-O 3.24Å; H105-P214 WeakPolarHBondContact CA-O 3.46Å; D106-P214 PolarHBondContact N-O 2.97Å; M212-P214 CarbonylContact O-C 3.25Å; M212-P214 VanDerWaalsContact O-C 3.25Å; M212-P214 VanDerWaalsContact O-O 3.11Å
215	D	98.6	Very high	98.5	Very high	28 Å²	28	11.5 Å²	11.5	15%	0.15	6%	0.06	C	C	.	.			trans	-164.2	-178.5	-174.1	57.6	87.5	0	0	0	109.2	T97 K100 S133 P134	T97-D215 WeakPolarHBondContact OG1-CB 3.18Å; K100-D215 WeakPolarHBondContact CA-OD2 3.47Å; K100-D215 HydrophobicContact CB-CB 4.05Å; K100-D215 WeakPolarHBondContact CB-OD2 3.34Å; K100-D215 VanDerWaalsContact N-CG 3.33Å; K100-D215 PolarHBondContact N-OD2 3.39Å; S133-D215 WeakPolarHBondContact CA-O 3.14Å; P134-D215 WeakPolarHBondContact CD-O 3.44Å
216	G	98.4	Very high	98.5	Very high	6 Å²	6	12 Å²	12	6%	0.062	6%	0.062	C	C	.	.			trans	137.7	-141.6	175.9	0	0	0	0	0	111.9	E96 T97 N131 M212	E96-G216 WeakPolarHBondContact CA-O 3.15Å; T97-G216 PolarHBondContact N-O 3.03Å; T97-G216 PolarHBondContact OG1-N 3.47Å; N131-G216 CarbonylContact O-C 3.33Å; N131-G216 VanDerWaalsContact O-CA 3.31Å; N131-G216 WeakPolarHBondContact O-CA 3.48Å; M212-G216 VanDerWaalsContact CE-N 3.26Å; M212-G216 WeakPolarHBondContact CE-O 3.09Å
217	G	98.6	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.5	175.7	0	0	0	0	0	115.4	W95 N131 H132 S133	W95-G217 CarbonylContact O-C 3.58Å; W95-G217 WeakPolarHBondContact O-CA 3.48Å; N131-G217 PolarHBondContact O-N 2.96Å; H132-G217 WeakPolarHBondContact CA-O 3.32Å; S133-G217 PolarHBondContact N-O 2.91Å; S133-G217 VanDerWaalsContact N-O 3.15Å
218	I	98.9	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.4	175.9	-65.1	173.8	0	0	0	107.3	L72 G94 W95 V123 L185 L210 M212 R220	L72-I218 HydrophobicContact CD2-CB 3.86Å; L72-I218 HydrophobicContact CD2-CG2 3.54Å; G94-I218 CarbonylContact C-O 3.59Å; G94-I218 WeakPolarHBondContact CA-O 3.34Å; W95-I218 PolarHBondContact N-O 3.01Å; W95-I218 PolarHBondContact O-N 3.04Å; V123-I218 HydrophobicContact CG1-CD1 3.83Å; V123-I218 HydrophobicContact CG1-CG1 4.16Å; V123-I218 HydrophobicContact CG1-CG2 3.76Å; L185-I218 HydrophobicContact CD1-CD1 4.21Å; L185-I218 HydrophobicContact CD1-CG1 4.29Å; L210-I218 HydrophobicContact CD1-CD1 4.44Å; L210-I218 HydrophobicContact CD2-CD1 4.15Å; M212-I218 HydrophobicContact CG-CD1 3.53Å; M212-I218 HydrophobicContact CG-CG1 4.23Å; M212-I218 HydrophobicContact SD-CD1 3.76Å; M212-I218 HydrophobicContact SD-CG1 3.93Å; I218-R220 WeakPolarHBondContact CG2-O 3.5Å
219	A	98.8	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-81.4	-48.1	-175.9	0	0	0	0	0	112.6	P78 D124 S126 F128	P78-A219 HydrophobicContact CB-CB 3.88Å; P78-A219 HydrophobicContact CG-CB 3.48Å; P78-A219 VanDerWaalsContact CG-CB 3.48Å; D124-A219 WeakPolarHBondContact O-CA 3.05Å; D124-A219 WeakPolarHBondContact O-CB 3.4Å; D124-A219 PolarHBondContact O-N 2.88Å; S126-A219 WeakPolarHBondContact O-CB 3.43Å; F128-A219 HydrophobicContact CD2-CB 4.2Å; F128-A219 HydrophobicContact CE2-CB 3.96Å
220	R	98.9	Very high	97.5	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.1	175.2	-59.8	-68.2	-179.7	-94	1	111.5	N71 L72 E76 P78 D93 D124 I218	N71-R220 WeakPolarHBondContact O-CD 3.44Å; N71-R220 PolarHBondContact O-NH1 3.35Å; N71-R220 VanDerWaalsContact O-NH1 3.17Å; L72-R220 WeakPolarHBondContact O-CA 3.49Å; E76-R220 PolarHBondContact O-NE 2.95Å; E76-R220 PolarHBondContact O-NH2 3.29Å; P78-R220 HydrophobicContact CG-CG 3.65Å; D93-R220 VanDerWaalsContact CG-NH2 3.34Å; D93-R220 PolarHBondContact O-NH1 3.48Å; D93-R220 IonicContact OD1-CZ 3.99Å; D93-R220 IonicContact OD1-NH1 2.63Å; D93-R220 PolarHBondContact OD1-NH1 2.89Å; D93-R220 IonicContact OD1-NH2 3.7Å; D93-R220 PolarHBondContact OD1-NH2 3.47Å; D93-R220 IonicContact OD2-CZ 2.81Å; D93-R220 IonicContact OD2-NH1 3.85Å; D93-R220 IonicContact OD2-NH2 2.98Å; D93-R220 PolarHBondContact OD2-NH2 2.97Å; D124-R220 HydrophobicContact CB-CB 4Å; D124-R220 PolarHBondContact N-O 2.81Å; D124-R220 PolarHBondContact O-N 3.48Å; D124-R220 VanDerWaalsContact O-N 3.14Å; I218-R220 WeakPolarHBondContact CG2-O 3.5Å
221	L	98.9	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.4	159.7	178.3	69.6	0	0	0	108.1	L72 I110 L121 D122 V123 I138 L208 L210 V223	L72-L221 HydrophobicContact CB-CB 4.36Å; L72-L221 PolarHBondContact O-N 2.9Å; I110-L221 HydrophobicContact CD1-CD2 3.44Å; I110-L221 VanDerWaalsContact CD1-CD2 3.44Å; L121-L221 HydrophobicContact CD2-CD1 4.28Å; D122-L221 WeakPolarHBondContact O-CA 3.43Å; V123-L221 HydrophobicContact CG2-CD1 3.86Å; I138-L221 HydrophobicContact CD1-CD1 3.9Å; L208-L221 HydrophobicContact CD1-CD2 4.23Å; L210-L221 HydrophobicContact CD2-CD2 4.49Å; L221-V223 HydrophobicContact CD2-CG2 4.07Å; L221-V223 HydrophobicContact CG-CG2 4.03Å
222	R	98.8	Very high	96.6	Very high	34 Å²	34	29 Å²	29	13%	0.128	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.4	169.6	-51.8	-63.7	-175.7	-174	-4	109.7	D48 K74 R75 L121 D122 F224	D48-R222 WeakPolarHBondContact OD2-CD 3.03Å; D48-R222 IonicContact OD2-CZ 3.63Å; D48-R222 IonicContact OD2-NE 3.6Å; D48-R222 IonicContact OD2-NH1 3.68Å; D48-R222 PolarHBondContact OD2-NH1 3.43Å; K74-R222 VanDerWaalsContact O-CZ 3.23Å; K74-R222 PolarHBondContact O-NH1 2.84Å; K74-R222 PolarHBondContact O-NH2 3.4Å; R75-R222 PolarHBondContact O-NH2 2.67Å; L121-R222 VanDerWaalsContact CA-O 3.28Å; L121-R222 WeakPolarHBondContact CA-O 3.4Å; D122-R222 HydrophobicContact CB-CB 4.04Å; D122-R222 HydrophobicContact CB-CG 4.25Å; D122-R222 PolarHBondContact N-O 3.37Å; D122-R222 PolarHBondContact O-N 3.07Å; R222-F224 HydrophobicContact CB-CD2 4.11Å; R222-F224 HydrophobicContact CB-CE1 4.33Å; R222-F224 HydrophobicContact CB-CE2 3.42Å; R222-F224 VanDerWaalsContact CB-CE2 3.42Å; R222-F224 HydrophobicContact CB-CZ 3.56Å; R222-F224 HydrophobicContact CG-CE2 4.21Å; R222-F224 HydrophobicContact CG-CZ 4.02Å
223	V	98.7	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	90.9	-178.6	-174.1	0	0	0	0	108.5	D48 L49 A50 L112 I118 L121 L208 L221	D48-V223 CarbonylContact C-O 3.59Å; D48-V223 WeakPolarHBondContact CA-O 3.21Å; D48-V223 PolarHBondContact OD1-N 3.19Å; L49-V223 PolarHBondContact N-O 3.18Å; A50-V223 HydrophobicContact CB-CB 3.82Å; A50-V223 HydrophobicContact CB-CG2 3.41Å; A50-V223 VanDerWaalsContact CB-CG2 3.41Å; L112-V223 HydrophobicContact CD2-CB 4.37Å; L112-V223 HydrophobicContact CD2-CG1 4.15Å; L112-V223 HydrophobicContact CD2-CG2 4.34Å; I118-V223 HydrophobicContact CB-CG1 4.5Å; I118-V223 HydrophobicContact CD1-CG1 3.61Å; I118-V223 HydrophobicContact CG1-CG1 3.73Å; I118-V223 HydrophobicContact CG2-CG1 3.98Å; L121-V223 HydrophobicContact CD2-CB 4.48Å; L121-V223 HydrophobicContact CD2-CG1 4.24Å; L121-V223 HydrophobicContact CD2-CG2 4.03Å; L208-V223 HydrophobicContact CD1-CB 4.43Å; L208-V223 HydrophobicContact CD1-CG1 4.07Å; L208-V223 HydrophobicContact CD1-CG2 3.48Å; L208-V223 VanDerWaalsContact CD1-CG2 3.48Å; L221-V223 HydrophobicContact CD2-CG2 4.07Å; L221-V223 HydrophobicContact CG-CG2 4.03Å
224	F	98.4	Very high	95.5	Very high	14 Å²	14	30.9 Å²	30.9	6%	0.061	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124	-173.3	-64.1	-72.7	0	0	0	111.7	F43 L44 F46 N47 H119 G120 D122 R222	F43-F224 HydrophobicContact CD2-CB 3.96Å; F43-F224 AromaticContact CD2-CD2 3.73Å; F43-F224 HydrophobicContact CD2-CD2 3.73Å; F43-F224 HydrophobicContact CD2-CG 4.1Å; F43-F224 AromaticContact CE2-CD2 3.84Å; F43-F224 HydrophobicContact CE2-CD2 3.84Å; F43-F224 HydrophobicContact CE2-CE2 4.43Å; F43-F224 VanDerWaalsContact O-CB 3.31Å; F43-F224 WeakPolarHBondContact O-CB 3.41Å; L44-F224 HydrophobicContact CD2-CD2 3.76Å; L44-F224 HydrophobicContact CD2-CE1 4.5Å; L44-F224 HydrophobicContact CD2-CE2 3.29Å; L44-F224 HydrophobicContact CD2-CZ 3.71Å; F46-F224 HydrophobicContact CB-CB 4.32Å; F46-F224 WeakPolarHBondContact O-CD1 3.48Å; N47-F224 WeakPolarHBondContact O-CA 3.41Å; H119-F224 PolarHBondContact N-O 2.9Å; G120-F224 PolarHBondContact N-O 2.82Å; G120-F224 WeakPolarHBondContact O-CB 3.26Å; G120-F224 PolarHBondContact O-N 3.4Å; D122-F224 HydrophobicContact CB-CE2 3.93Å; R222-F224 HydrophobicContact CB-CD2 4.11Å; R222-F224 HydrophobicContact CB-CE1 4.33Å; R222-F224 HydrophobicContact CB-CE2 3.42Å; R222-F224 VanDerWaalsContact CB-CE2 3.42Å; R222-F224 HydrophobicContact CB-CZ 3.56Å; R222-F224 HydrophobicContact CG-CE2 4.21Å; R222-F224 HydrophobicContact CG-CZ 4.02Å
225	G	97.4	Very high	95	Very high	3 Å²	3	31 Å²	31	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-173.4	-176	0	0	0	0	0	116.1	N47 L117	N47-G225 PolarHBondContact O-N 2.97Å; L117-G225 CarbonylContact O-C 3.49Å; L117-G225 WeakPolarHBondContact O-CA 3.28Å
226	V	97.4	Very high	94.2	Very high	15 Å²	15	33.3 Å²	33.3	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126	-179.9	-178.4	0	0	0	0	109.4	F46 G116 L117 V250	F46-V226 HydrophobicContact CD1-CG2 3.64Å; F46-V226 HydrophobicContact CE1-CG2 3.7Å; F46-V226 HydrophobicContact CG-CG2 4.46Å; G116-V226 CarbonylContact C-O 3.54Å; G116-V226 WeakPolarHBondContact CA-O 3.08Å; L117-V226 PolarHBondContact N-O 2.96Å; L117-V226 PolarHBondContact O-N 3.27Å; V226-V250 HydrophobicContact CB-CG2 4.12Å; V226-V250 HydrophobicContact CG1-CG2 3.48Å; V226-V250 VanDerWaalsContact CG1-CG2 3.48Å; V226-V250 HydrophobicContact CG2-CG2 3.6Å
227	G	96.6	Very high	93.5	Very high	6 Å²	6	38.7 Å²	38.7	6%	0.062	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	138	176.4	0	0	0	0	0	112.2	P115 G248	P115-G227 CarbonylContact O-C 3.58Å; P115-G227 WeakPolarHBondContact O-CA 3.18Å; G227-G248 WeakPolarHBondContact O-CA 3.34Å
228	Q	94.3	Very high	93.2	Very high	72 Å²	72	42.6 Å²	42.6	34%	0.336	24%	0.239	S	C	.	.			trans	-118.7	96.3	173.5	-77.2	-163.7	-28.1	0	0	110.1	P115 L117 R204	P115-Q228 PolarHBondContact O-N 2.85Å; L117-Q228 VanDerWaalsContact CD1-NE2 3.32Å; L117-Q228 VanDerWaalsContact CG-CD 3.46Å; L117-Q228 HydrophobicContact CG-CG 3.94Å; L117-Q228 VanDerWaalsContact CG-NE2 3.28Å; R204-Q228 VanDerWaalsContact CB-OE1 3.28Å; R204-Q228 HydrophobicContact CG-CB 4.21Å; R204-Q228 PolarHBondContact NE-O 3.1Å; R204-Q228 VanDerWaalsContact NE-O 3.12Å
229	R	90.3	Very high	92.9	Very high	90 Å²	90	46.1 Å²	46.1	34%	0.34	26%	0.258	S	S	.	.			trans	-80.1	139.1	172	-171	178.9	-168.7	85.5	9.8	110.3	W231 I234 N247	R229-W231 HydrophobicContact CB-CZ2 4.49Å; R229-W231 VanDerWaalsContact O-CD1 3.3Å; R229-W231 PolarHBondContact O-N 2.94Å; R229-I234 VanDerWaalsContact NE-CD1 3.31Å; R229-N247 VanDerWaalsContact CD-OD1 3.27Å; R229-N247 WeakPolarHBondContact CD-OD1 3.46Å; R229-N247 PolarHBondContact NH1-OD1 2.85Å
230	D	90.3	Very high	92.8	Very high	86 Å²	86	46.5 Å²	46.5	46%	0.46	26%	0.26	S	S	.	.			trans	-76.7	100.8	163.7	177.8	11.6	0	0	0	109.7	S232 S233	D230-S232 VanDerWaalsContact C-N 3.25Å; D230-S232 VanDerWaalsContact CG-OG 3.26Å; D230-S232 PolarHBondContact O-N 3.28Å; D230-S232 WeakPolarHBondContact OD1-CB 3.1Å; D230-S232 PolarHBondContact OD1-N 3.05Å; D230-S232 PolarHBondContact OD1-OG 3.08Å; D230-S232 PolarHBondContact OD2-OG 3.2Å; D230-S233 PolarHBondContact O-N 2.99Å; D230-S233 PolarHBondContact O-OG 2.86Å
231	W	90.4	Very high	92.7	Very high	43 Å²	43	46.9 Å²	46.9	16%	0.163	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-72.3	-16.7	180	-69.2	103	0	0	0	113.7	R229 S233 I234 V240 L242 N247 G311 H312 P409	R229-W231 HydrophobicContact CB-CZ2 4.49Å; R229-W231 VanDerWaalsContact O-CD1 3.3Å; R229-W231 PolarHBondContact O-N 2.94Å; W231-S233 PolarHBondContact O-N 3.09Å; W231-I234 HydrophobicContact CE3-CG1 4.16Å; W231-I234 PolarHBondContact O-N 3Å; W231-V240 HydrophobicContact CH2-CG2 4.36Å; W231-V240 HydrophobicContact CZ3-CG2 3.91Å; W231-L242 HydrophobicContact CH2-CD2 4.04Å; W231-L242 HydrophobicContact CZ3-CD2 4.22Å; W231-N247 HydrophobicContact CH2-CB 3.91Å; W231-N247 HydrophobicContact CZ2-CB 3.94Å; W231-N247 WeakPolarHBondContact CZ2-O 3.35Å; W231-G311 PolarHBondContact NE1-O 3.15Å; W231-H312 AromaticContact CD1-CD2 3.74Å; W231-H312 HydrophobicContact CD2-CB 3.77Å; W231-H312 AromaticContact CD2-CD2 3.68Å; W231-H312 AromaticContact CD2-CG 4Å; W231-H312 VanDerWaalsContact CE2-CB 3.45Å; W231-H312 HydrophobicContact CE3-CB 4.01Å; W231-H312 HydrophobicContact CG-CB 4.46Å; W231-H312 AromaticContact CG-CD2 3.52Å; W231-H312 HydrophobicContact CH2-CB 3.66Å; W231-H312 HydrophobicContact CZ2-CB 3.4Å; W231-H312 HydrophobicContact CZ3-CB 3.96Å; W231-H312 AromaticContact NE1-CD2 3.98Å; W231-P409 HydrophobicContact CE3-CB 4.25Å; W231-P409 HydrophobicContact CE3-CG 3.83Å; W231-P409 HydrophobicContact CZ3-CB 4.33Å; W231-P409 HydrophobicContact CZ3-CG 3.61Å
232	S	88.4	Confident	92.7	Very high	94 Å²	94	46.9 Å²	46.9	66%	0.657	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-69.2	-22.6	176.1	74.9	0	0	0	0	112.6	D230 I234	D230-S232 VanDerWaalsContact C-N 3.25Å; D230-S232 VanDerWaalsContact CG-OG 3.26Å; D230-S232 PolarHBondContact O-N 3.28Å; D230-S232 WeakPolarHBondContact OD1-CB 3.1Å; D230-S232 PolarHBondContact OD1-N 3.05Å; D230-S232 PolarHBondContact OD1-OG 3.08Å; D230-S232 PolarHBondContact OD2-OG 3.2Å; S232-I234 PolarHBondContact O-N 3.2Å
233	S	87.1	Confident	92.7	Very high	73 Å²	73	45.2 Å²	45.2	51%	0.51	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-75.2	-8.3	174.7	72.5	0	0	0	0	114.2	D230 W231	D230-S233 PolarHBondContact O-N 2.99Å; D230-S233 PolarHBondContact O-OG 2.86Å; W231-S233 PolarHBondContact O-N 3.09Å
234	I	87.8	Confident	92.6	Very high	20 Å²	20	45.6 Å²	45.6	10%	0.103	26%	0.259	C	S	.	.	S	Bend	trans	-100.3	117	-174.9	-51.1	-56.4	0	0	0	110	R229 W231 S232 A236 Q238 V240 P409	R229-I234 VanDerWaalsContact NE-CD1 3.31Å; W231-I234 HydrophobicContact CE3-CG1 4.16Å; W231-I234 PolarHBondContact O-N 3Å; S232-I234 PolarHBondContact O-N 3.2Å; I234-A236 PolarHBondContact O-N 3.07Å; I234-Q238 HydrophobicContact CG2-CB 4.15Å; I234-V240 HydrophobicContact CG2-CG1 3.94Å; I234-P409 HydrophobicContact CG2-CG 4.48Å
235	P	87.4	Confident	92.6	Very high	66 Å²	66	45 Å²	45	43%	0.429	26%	0.257	S	S	.	.			trans	-55.1	138.8	172.6	-25.2	34.8	0	0	0	111.8	N237 Q238	P235-N237 WeakPolarHBondContact CB-OD1 3.49Å; P235-N237 PolarHBondContact O-N 2.81Å; P235-Q238 HydrophobicContact CB-CB 4.28Å; P235-Q238 VanDerWaalsContact CD-OE1 3.29Å; P235-Q238 WeakPolarHBondContact O-CB 3.38Å; P235-Q238 PolarHBondContact O-N 3.36Å
236	A	81.9	Confident	92.5	Very high	76 Å²	76	46.3 Å²	46.3	63%	0.628	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.3	-176.2	0	0	0	0	0	114.5	I234	I234-A236 PolarHBondContact O-N 3.07Å
237	N	84.7	Confident	92.5	Very high	118 Å²	118	46 Å²	46	63%	0.631	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-2.9	178	65.2	-17.1	0	0	0	113.7	P235	P235-N237 WeakPolarHBondContact CB-OD1 3.49Å; P235-N237 PolarHBondContact O-N 2.81Å
238	Q	91.3	Very high	92.5	Very high	83 Å²	83	46 Å²	46	39%	0.388	26%	0.262	S	S	.	.			trans	-78.6	125.9	178.6	-173.5	178.7	-3.5	0	0	110.2	I234 P235 V240	I234-Q238 HydrophobicContact CG2-CB 4.15Å; P235-Q238 HydrophobicContact CB-CB 4.28Å; P235-Q238 VanDerWaalsContact CD-OE1 3.29Å; P235-Q238 WeakPolarHBondContact O-CB 3.38Å; P235-Q238 PolarHBondContact O-N 3.36Å; Q238-V240 HydrophobicContact CG-CG1 3.94Å
239	D	93.3	Very high	92.6	Very high	74 Å²	74	42.7 Å²	42.7	40%	0.396	25%	0.247	S	C	.	.			trans	-78.1	129.6	168.1	-70.7	-9.4	0	0	0	109.1	R408	D239-R408 WeakPolarHBondContact OD1-CG 3.49Å; D239-R408 IonicContact OD1-CZ 3.96Å; D239-R408 IonicContact OD1-NE 3.01Å; D239-R408 PolarHBondContact OD1-NE 2.99Å
240	V	96.4	Very high	93	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.3	179.5	-62.7	0	0	0	0	109.7	W231 I234 Q238 L242 W406 G407 P409	W231-V240 HydrophobicContact CH2-CG2 4.36Å; W231-V240 HydrophobicContact CZ3-CG2 3.91Å; I234-V240 HydrophobicContact CG2-CG1 3.94Å; Q238-V240 HydrophobicContact CG-CG1 3.94Å; V240-L242 HydrophobicContact CG2-CD2 3.76Å; V240-L242 HydrophobicContact CG2-CG 4.39Å; V240-L242 PolarHBondContact O-N 3.16Å; V240-W406 VanDerWaalsContact C-CE3 3.41Å; V240-W406 WeakPolarHBondContact O-CA 3.36Å; V240-G407 PolarHBondContact N-O 3.02Å; V240-G407 PolarHBondContact O-N 3.08Å; V240-P409 HydrophobicContact CG2-CG 4Å
241	D	97.8	Very high	93.4	Very high	9 Å²	9	35 Å²	35	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	97.3	176.2	-177.8	8.8	0	0	0	110.2	V243 A244 N247 R404 L405 W406	D241-V243 PolarHBondContact O-N 2.75Å; D241-V243 WeakPolarHBondContact OD1-CG1 3.47Å; D241-V243 PolarHBondContact OD1-N 3.38Å; D241-A244 HydrophobicContact CB-CB 4.02Å; D241-A244 WeakPolarHBondContact O-CB 3.38Å; D241-A244 PolarHBondContact O-N 2.89Å; D241-A244 WeakPolarHBondContact OD2-CB 3.48Å; D241-N247 PolarHBondContact O-ND2 3.12Å; D241-R404 WeakPolarHBondContact OD2-CD 3.34Å; D241-R404 IonicContact OD2-NE 3.37Å; D241-R404 IonicContact OD2-NH1 3.47Å; D241-L405 CarbonylContact C-O 3.55Å; D241-L405 WeakPolarHBondContact CA-O 3.32Å; D241-L405 PolarHBondContact OD1-N 3.35Å; D241-W406 HydrophobicContact CB-CD2 4.16Å; D241-W406 HydrophobicContact CB-CE3 4.01Å; D241-W406 HydrophobicContact CB-CH2 3.98Å; D241-W406 HydrophobicContact CB-CZ2 4.14Å; D241-W406 HydrophobicContact CB-CZ3 3.92Å
242	L	97.8	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.9	-172.6	-65.5	171.5	0	0	0	112.9	W231 V240 L310 G311 H312 I316 L405 P409	W231-L242 HydrophobicContact CH2-CD2 4.04Å; W231-L242 HydrophobicContact CZ3-CD2 4.22Å; V240-L242 HydrophobicContact CG2-CD2 3.76Å; V240-L242 HydrophobicContact CG2-CG 4.39Å; V240-L242 PolarHBondContact O-N 3.16Å; L242-L310 HydrophobicContact CB-CB 4.33Å; L242-L310 HydrophobicContact CB-CD1 4.08Å; L242-L310 HydrophobicContact CB-CD2 4.33Å; L242-L310 HydrophobicContact CB-CG 4.48Å; L242-L310 HydrophobicContact CD1-CD1 4.45Å; L242-L310 CarbonylContact O-C 3.5Å; L242-L310 WeakPolarHBondContact O-CA 3.32Å; L242-L310 WeakPolarHBondContact O-CB 3.28Å; L242-G311 PolarHBondContact O-N 3.11Å; L242-H312 HydrophobicContact CD2-CB 4.49Å; L242-I316 HydrophobicContact CD1-CD1 3.73Å; L242-L405 PolarHBondContact N-O 3.22Å; L242-P409 HydrophobicContact CD2-CG 4.05Å
243	V	98.6	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.5	179	79.9	0	0	0	0	112.9	D241 L245 G249 I266 F308 L310 V390 L403 L405	D241-V243 PolarHBondContact O-N 2.75Å; D241-V243 WeakPolarHBondContact OD1-CG1 3.47Å; D241-V243 PolarHBondContact OD1-N 3.38Å; V243-L245 PolarHBondContact O-N 2.92Å; V243-G249 WeakPolarHBondContact O-CA 3.5Å; V243-I266 HydrophobicContact CB-CG2 4.46Å; V243-I266 HydrophobicContact CG1-CG2 4.1Å; V243-I266 HydrophobicContact CG2-CG2 3.81Å; V243-I266 WeakPolarHBondContact O-CB 3.44Å; V243-I266 WeakPolarHBondContact O-CG2 3.48Å; V243-F308 HydrophobicContact CG2-CB 3.61Å; V243-F308 HydrophobicContact CG2-CD1 4.41Å; V243-F308 HydrophobicContact CG2-CG 4.04Å; V243-L310 HydrophobicContact CB-CD2 3.69Å; V243-L310 HydrophobicContact CG2-CD2 3.86Å; V243-V390 HydrophobicContact CG2-CG2 4.32Å; V243-L403 HydrophobicContact CG1-CG 4.35Å; V243-L405 HydrophobicContact CB-CB 4.22Å; V243-L405 HydrophobicContact CB-CD1 4.02Å; V243-L405 HydrophobicContact CB-CG 4.17Å; V243-L405 HydrophobicContact CG1-CB 4.06Å; V243-L405 HydrophobicContact CG1-CD1 4.26Å; V243-L405 HydrophobicContact CG1-CG 3.91Å; V243-L405 HydrophobicContact CG2-CD1 4.4Å
244	A	97.9	Very high	94.5	Very high	8 Å²	8	31 Å²	31	7%	0.066	18%	0.18	C	C	.	.			trans	-56.2	136	-179.2	0	0	0	0	0	111.7	D241 T246 N247 G248 G249	D241-A244 HydrophobicContact CB-CB 4.02Å; D241-A244 WeakPolarHBondContact O-CB 3.38Å; D241-A244 PolarHBondContact O-N 2.89Å; D241-A244 WeakPolarHBondContact OD2-CB 3.48Å; A244-T246 PolarHBondContact O-N 2.53Å; A244-T246 VanDerWaalsContact O-N 3.15Å; A244-N247 HydrophobicContact CB-CB 4.29Å; A244-N247 PolarHBondContact O-N 2.74Å; A244-G248 PolarHBondContact O-N 2.76Å; A244-G249 PolarHBondContact O-N 3.16Å
245	L	97.1	Very high	94.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-42	-49.5	166.4	159.4	82.1	0	0	0	111.2	N47 L49 E54 V114 V243 N247 G248 I266	N47-L245 HydrophobicContact CB-CD1 3.15Å; N47-L245 HydrophobicContact CB-CG 4.42Å; N47-L245 WeakPolarHBondContact ND2-CD1 3.1Å; L49-L245 HydrophobicContact CD2-CD1 4.12Å; E54-L245 HydrophobicContact CB-CD2 4.25Å; E54-L245 VanDerWaalsContact CD-CD2 3.43Å; E54-L245 HydrophobicContact CG-CD2 3.69Å; E54-L245 WeakPolarHBondContact OE2-CD2 3.5Å; V114-L245 HydrophobicContact CG2-CD2 3.91Å; V114-L245 HydrophobicContact CG2-CG 4.24Å; V243-L245 PolarHBondContact O-N 2.92Å; L245-N247 PolarHBondContact O-N 2.98Å; L245-N247 VanDerWaalsContact O-N 3.14Å; L245-G248 PolarHBondContact O-N 3.04Å; L245-I266 HydrophobicContact CB-CD1 4.45Å; L245-I266 HydrophobicContact CB-CG1 4.39Å; L245-I266 VanDerWaalsContact CB-O 3.31Å; L245-I266 WeakPolarHBondContact CB-O 3.43Å; L245-I266 PolarHBondContact N-O 3.45Å
246	T	96.1	Very high	95.4	Very high	29 Å²	29	31.3 Å²	31.3	18%	0.178	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-66.5	-17.6	-172.2	62.5	0	0	0	0	112.8	V114 A244 R268	V114-T246 HydrophobicContact CG2-CG2 3.87Å; A244-T246 PolarHBondContact O-N 2.53Å; A244-T246 VanDerWaalsContact O-N 3.15Å; T246-R268 HydrophobicContact CG2-CG 3.51Å; T246-R268 VanDerWaalsContact CG2-NE 3.28Å
247	N	96.6	Very high	96	Very high	10 Å²	10	29.1 Å²	29.1	5%	0.053	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-100.5	0.9	175.5	-65.8	-20.6	0	0	0	111.9	R229 W231 D241 A244 L245 G311	R229-N247 VanDerWaalsContact CD-OD1 3.27Å; R229-N247 WeakPolarHBondContact CD-OD1 3.46Å; R229-N247 PolarHBondContact NH1-OD1 2.85Å; W231-N247 HydrophobicContact CH2-CB 3.91Å; W231-N247 HydrophobicContact CZ2-CB 3.94Å; W231-N247 WeakPolarHBondContact CZ2-O 3.35Å; D241-N247 PolarHBondContact O-ND2 3.12Å; A244-N247 HydrophobicContact CB-CB 4.29Å; A244-N247 PolarHBondContact O-N 2.74Å; L245-N247 PolarHBondContact O-N 2.98Å; L245-N247 VanDerWaalsContact O-N 3.14Å; N247-G311 VanDerWaalsContact O-CA 3.26Å; N247-G311 WeakPolarHBondContact O-CA 3.41Å
248	G	96.8	Very high	96.6	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	14.3	-179.5	0	0	0	0	0	114.5	G227 A244 L245 G311	G227-G248 WeakPolarHBondContact O-CA 3.34Å; A244-G248 PolarHBondContact O-N 2.76Å; L245-G248 PolarHBondContact O-N 3.04Å; G248-G311 VanDerWaalsContact C-CA 3.44Å; G248-G311 WeakPolarHBondContact O-CA 3.36Å
249	G	97.8	Very high	96.8	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	16%	0.159	C	C	.	.			trans	-64.1	143.9	171.1	0	0	0	0	0	111.9	V243 A244 I266 R309	V243-G249 WeakPolarHBondContact O-CA 3.5Å; A244-G249 PolarHBondContact O-N 3.16Å; G249-I266 VanDerWaalsContact O-CD1 3.25Å; G249-I266 WeakPolarHBondContact O-CD1 3.36Å; G249-R309 VanDerWaalsContact CA-O 3.27Å; G249-R309 WeakPolarHBondContact CA-O 3.11Å
250	V	97.8	Very high	96.8	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.03	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	134.4	-174	175.1	0	0	0	0	110.6	F46 V226 L252 F308 R309	F46-V250 HydrophobicContact CD1-CG1 3.95Å; F46-V250 HydrophobicContact CE1-CG1 3.87Å; V226-V250 HydrophobicContact CB-CG2 4.12Å; V226-V250 HydrophobicContact CG1-CG2 3.48Å; V226-V250 VanDerWaalsContact CG1-CG2 3.48Å; V226-V250 HydrophobicContact CG2-CG2 3.6Å; V250-L252 HydrophobicContact CB-CD2 4.45Å; V250-L252 HydrophobicContact CG1-CD2 3.74Å; V250-L252 HydrophobicContact CG1-CG 4.44Å; V250-F308 CarbonylContact O-C 3.4Å; V250-F308 WeakPolarHBondContact O-CA 3.35Å; V250-R309 PolarHBondContact N-O 2.97Å; V250-R309 PolarHBondContact O-N 2.94Å
251	C	97.9	Very high	96.8	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.054	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.3	165.3	177.4	0	0	0	0	109.9	R263 V307 F308	C251-R263 HydrophobicContact CB-CB 3.94Å; C251-V307 WeakPolarHBondContact CA-O 3.42Å; C251-F308 HydrophobicContact CB-CD1 3.97Å; C251-F308 HydrophobicContact CB-CE1 3.7Å
252	L	96	Very high	96.8	Very high	39 Å²	39	27.2 Å²	27.2	20%	0.204	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-13.3	-178	-62.2	179.9	0	0	0	114.1	V250 V307 R309 E346 W354	V250-L252 HydrophobicContact CB-CD2 4.45Å; V250-L252 HydrophobicContact CG1-CD2 3.74Å; V250-L252 HydrophobicContact CG1-CG 4.44Å; L252-V307 HydrophobicContact CB-CG1 4.46Å; L252-V307 PolarHBondContact N-O 2.84Å; L252-R309 HydrophobicContact CD1-CB 3.71Å; L252-R309 HydrophobicContact CG-CB 4.13Å; L252-E346 HydrophobicContact CD1-CG 4.04Å; L252-E346 WeakPolarHBondContact CD1-OE1 3.28Å; L252-W354 HydrophobicContact CB-CH2 4.29Å; L252-W354 HydrophobicContact CB-CZ2 3.46Å; L252-W354 VanDerWaalsContact CB-CZ2 3.46Å; L252-W354 HydrophobicContact CD1-CH2 3.58Å; L252-W354 HydrophobicContact CD1-CZ2 3.54Å; L252-W354 HydrophobicContact CG-CZ2 4.17Å; L252-W354 PolarHBondContact O-NE1 2.9Å
253	G	95.9	Very high	96.8	Very high	15 Å²	15	29.6 Å²	29.6	16%	0.155	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	159.7	179.1	0	0	0	0	0	112.1	W305 A306 V307	G253-W305 VanDerWaalsContact C-CZ3 3.44Å; G253-A306 WeakPolarHBondContact O-CA 3.44Å; G253-V307 PolarHBondContact O-N 3.26Å
254	Y	97.6	Very high	96.8	Very high	72 Å²	72	31.2 Å²	31.2	28%	0.282	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	162.9	179.9	54.5	-91.9	0	0	0	110.8	Q45 A257 H261 P262 W305	Q45-Y254 PolarHBondContact OE1-OH 2.97Å; Y254-A257 HydrophobicContact CD2-CB 3.87Å; Y254-A257 HydrophobicContact CE2-CB 3.42Å; Y254-A257 VanDerWaalsContact CE2-CB 3.42Å; Y254-H261 AromaticContact CE1-CE1 3.97Å; Y254-H261 AromaticContact CE1-NE2 3.43Å; Y254-H261 WeakPolarHBondContact CE1-NE2 3.28Å; Y254-H261 AromaticContact CZ-NE2 3.9Å; Y254-P262 HydrophobicContact CD1-CG 3.68Å; Y254-P262 HydrophobicContact CD2-CG 4.24Å; Y254-P262 HydrophobicContact CE1-CG 4.42Å; Y254-P262 HydrophobicContact CG-CG 3.57Å; Y254-W305 CarbonylContact C-O 3.55Å; Y254-W305 VanDerWaalsContact CA-CZ3 3.5Å; Y254-W305 WeakPolarHBondContact CA-O 3.4Å; Y254-W305 WeakPolarHBondContact CB-O 3.37Å
255	S	96.8	Very high	96.8	Very high	46 Å²	46	30.9 Å²	30.9	32%	0.322	17%	0.169	S	C	.	.	S	Bend	trans	-80.4	-46.2	178.2	54	0	0	0	0	113.3	E304 W305	S255-E304 WeakPolarHBondContact CB-OE2 3.19Å; S255-E304 WeakPolarHBondContact OG-CA 3.35Å; S255-E304 WeakPolarHBondContact OG-CB 3.25Å; S255-E304 PolarHBondContact OG-OE2 2.63Å; S255-W305 PolarHBondContact N-O 3.16Å; S255-W305 PolarHBondContact OG-N 2.63Å; S255-W305 PolarHBondContact OG-O 3.09Å
256	D	96.9	Very high	96.9	Very high	48 Å²	48	30.8 Å²	30.8	26%	0.257	17%	0.169	S	C	.	.			trans	-149	151.1	-177.3	-178.2	-101	0	0	0	110.2	H258 W278 T280 A281	D256-H258 WeakPolarHBondContact OD1-CB 3.33Å; D256-H258 PolarHBondContact OD1-N 3.02Å; D256-H258 VanDerWaalsContact OD1-N 3.09Å; D256-W278 PolarHBondContact O-NE1 2.78Å; D256-T280 HydrophobicContact CB-CG2 4.19Å; D256-T280 WeakPolarHBondContact OD1-CA 3.12Å; D256-T280 WeakPolarHBondContact OD1-CB 3.35Å; D256-A281 PolarHBondContact OD1-N 3.16Å
257	A	96.1	Very high	96.8	Very high	30 Å²	30	29.6 Å²	29.6	25%	0.248	16%	0.162	C	C	.	.			trans	-145.7	63.1	174.3	0	0	0	0	0	109.5	Y254	Y254-A257 HydrophobicContact CD2-CB 3.87Å; Y254-A257 HydrophobicContact CE2-CB 3.42Å; Y254-A257 VanDerWaalsContact CE2-CB 3.42Å
258	H	96.4	Very high	96.7	Very high	91 Å²	91	34.5 Å²	34.5	42%	0.421	18%	0.18	S	C	.	.	S	Bend	trans	-59.7	-44.8	-177.9	-169.5	67	0	0	0	113.2	D256 E279 A281	D256-H258 WeakPolarHBondContact OD1-CB 3.33Å; D256-H258 PolarHBondContact OD1-N 3.02Å; D256-H258 VanDerWaalsContact OD1-N 3.09Å; H258-E279 PolarHBondContact N-O 3.49Å; H258-E279 VanDerWaalsContact N-O 3.09Å; H258-A281 HydrophobicContact CB-CB 4Å; H258-A281 VanDerWaalsContact CB-N 3.32Å
259	F	95.2	Very high	96.6	Very high	112 Å²	112	37 Å²	37	49%	0.491	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.7	169.6	-63.8	-63.7	0	0	0	111.3	E279	F259-E279 HydrophobicContact CB-CB 4.13Å; F259-E279 PolarHBondContact N-O 3.44Å; F259-E279 PolarHBondContact O-N 2.87Å; F259-E279 VanDerWaalsContact O-O 3.11Å
260	G	94.4	Very high	96.4	Very high	30 Å²	30	42.1 Å²	42.1	31%	0.309	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.2	-171.6	-171.5	0	0	0	0	0	112	G277	G260-G277 WeakPolarHBondContact CA-O 3.46Å
261	H	96.7	Very high	96.3	Very high	18 Å²	18	42 Å²	42	8%	0.083	22%	0.224	C	C	.	.			trans	-138	140.7	179.9	-171.9	-83.6	0	0	0	109.3	Q45 Y254 R263 N264 G277	Q45-H261 PolarHBondContact OE1-NE2 3.25Å; Q45-H261 VanDerWaalsContact OE1-NE2 3.16Å; Y254-H261 AromaticContact CE1-CE1 3.97Å; Y254-H261 AromaticContact CE1-NE2 3.43Å; Y254-H261 WeakPolarHBondContact CE1-NE2 3.28Å; Y254-H261 AromaticContact CZ-NE2 3.9Å; H261-R263 HydrophobicContact CB-CG 4.26Å; H261-R263 WeakPolarHBondContact ND1-CB 3.38Å; H261-R263 WeakPolarHBondContact ND1-CD 3.38Å; H261-R263 WeakPolarHBondContact ND1-CG 3.43Å; H261-R263 PolarHBondContact ND1-N 2.84Å; H261-R263 VanDerWaalsContact ND1-N 3.16Å; H261-R263 PolarHBondContact O-N 2.95Å; H261-N264 PolarHBondContact N-ND2 3.31Å; H261-N264 VanDerWaalsContact O-CB 3.22Å; H261-N264 WeakPolarHBondContact O-CB 3.22Å; H261-N264 VanDerWaalsContact O-CG 3.27Å; H261-N264 PolarHBondContact O-N 3.05Å; H261-G277 PolarHBondContact N-O 3.41Å
262	P	97.6	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-53	-32.1	-178.7	-23	27.1	0	0	0	114.6	Y254 N264 M265 W278 A306 F308	Y254-P262 HydrophobicContact CD1-CG 3.68Å; Y254-P262 HydrophobicContact CD2-CG 4.24Å; Y254-P262 HydrophobicContact CE1-CG 4.42Å; Y254-P262 HydrophobicContact CG-CG 3.57Å; P262-N264 PolarHBondContact O-N 2.98Å; P262-N264 VanDerWaalsContact O-N 3.09Å; P262-M265 HydrophobicContact CB-CE 4.14Å; P262-M265 WeakPolarHBondContact O-CB 3.24Å; P262-M265 PolarHBondContact O-N 3.43Å; P262-W278 HydrophobicContact CB-CD2 4.33Å; P262-W278 HydrophobicContact CB-CG 4.17Å; P262-W278 HydrophobicContact CG-CD2 4.13Å; P262-W278 HydrophobicContact CG-CG 3.91Å; P262-A306 HydrophobicContact CB-CB 3.77Å; P262-A306 HydrophobicContact CG-CB 4.23Å; P262-F308 HydrophobicContact CB-CZ 3.98Å; P262-F308 WeakPolarHBondContact O-CE1 3.43Å; P262-F308 WeakPolarHBondContact O-CZ 3.07Å
263	R	97.4	Very high	96.2	Very high	51 Å²	51	45.8 Å²	45.8	19%	0.192	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-55.5	-23.2	173.8	91	-172.4	156.9	-169.3	-18.3	114.5	L44 F46 N47 C251 H261 M265 I266	L44-R263 PolarHBondContact O-NH1 3.46Å; F46-R263 WeakPolarHBondContact O-CD 3.48Å; F46-R263 PolarHBondContact O-NH1 3.25Å; N47-R263 PolarHBondContact ND2-O 3.1Å; N47-R263 WeakPolarHBondContact OD1-CB 3.37Å; N47-R263 VanDerWaalsContact OD1-CG 3.32Å; N47-R263 WeakPolarHBondContact OD1-CG 3.32Å; C251-R263 HydrophobicContact CB-CB 3.94Å; H261-R263 HydrophobicContact CB-CG 4.26Å; H261-R263 WeakPolarHBondContact ND1-CB 3.38Å; H261-R263 WeakPolarHBondContact ND1-CD 3.38Å; H261-R263 WeakPolarHBondContact ND1-CG 3.43Å; H261-R263 PolarHBondContact ND1-N 2.84Å; H261-R263 VanDerWaalsContact ND1-N 3.16Å; H261-R263 PolarHBondContact O-N 2.95Å; R263-M265 VanDerWaalsContact C-N 3.3Å; R263-I266 WeakPolarHBondContact O-CG1 3.31Å
264	N	97.5	Very high	96.2	Very high	34 Å²	34	48.9 Å²	48.9	18%	0.182	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-70.8	-28.5	177.2	-60.7	-11	0	0	0	111.3	H261 P262 I266 G267 A275 G277 R402	H261-N264 PolarHBondContact N-ND2 3.31Å; H261-N264 VanDerWaalsContact O-CB 3.22Å; H261-N264 WeakPolarHBondContact O-CB 3.22Å; H261-N264 VanDerWaalsContact O-CG 3.27Å; H261-N264 PolarHBondContact O-N 3.05Å; P262-N264 PolarHBondContact O-N 2.98Å; P262-N264 VanDerWaalsContact O-N 3.09Å; N264-I266 PolarHBondContact O-N 3.1Å; N264-I266 VanDerWaalsContact O-N 3.1Å; N264-G267 PolarHBondContact O-N 2.96Å; N264-G267 VanDerWaalsContact O-N 3.08Å; N264-A275 PolarHBondContact ND2-O 3.38Å; N264-G277 PolarHBondContact ND2-O 3.47Å; N264-G277 VanDerWaalsContact ND2-O 3.16Å; N264-R402 PolarHBondContact O-NH1 2.85Å
265	M	98.4	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-61.2	-23.4	179.9	-66.4	-166.4	-69.1	0	0	113.1	P262 R263 W278 A306 F308 L392 V400 R402 L403 R404	P262-M265 HydrophobicContact CB-CE 4.14Å; P262-M265 WeakPolarHBondContact O-CB 3.24Å; P262-M265 PolarHBondContact O-N 3.43Å; R263-M265 VanDerWaalsContact C-N 3.3Å; M265-W278 HydrophobicContact CE-CB 4.32Å; M265-W278 HydrophobicContact CE-CD2 4.05Å; M265-W278 HydrophobicContact CE-CE3 3.39Å; M265-W278 HydrophobicContact CE-CG 4.46Å; M265-W278 HydrophobicContact CE-CZ3 4.02Å; M265-W278 HydrophobicContact CG-CB 3.91Å; M265-W278 HydrophobicContact SD-CB 4.04Å; M265-W278 HydrophobicContact SD-CD2 4.4Å; M265-W278 HydrophobicContact SD-CE3 3.64Å; M265-A306 HydrophobicContact CE-CB 4.03Å; M265-F308 HydrophobicContact CE-CE2 3.68Å; M265-F308 HydrophobicContact CE-CZ 3.4Å; M265-F308 VanDerWaalsContact CE-CZ 3.4Å; M265-L392 HydrophobicContact CE-CD2 3.9Å; M265-L392 HydrophobicContact SD-CD2 3.85Å; M265-V400 HydrophobicContact CG-CG1 4.48Å; M265-V400 HydrophobicContact SD-CB 3.6Å; M265-V400 VanDerWaalsContact SD-CB 3.6Å; M265-V400 HydrophobicContact SD-CG1 3.54Å; M265-V400 VanDerWaalsContact SD-CG1 3.54Å; M265-R402 VanDerWaalsContact O-CA 3.29Å; M265-R402 WeakPolarHBondContact O-CA 3.35Å; M265-R402 WeakPolarHBondContact O-CD 3.49Å; M265-L403 HydrophobicContact CB-CB 4.36Å; M265-L403 PolarHBondContact O-N 3.39Å; M265-R404 PolarHBondContact O-NH1 3.29Å; M265-R404 VanDerWaalsContact O-NH1 3.11Å
266	I	98.3	Very high	95.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-102.4	2.8	-178.7	64.1	163.1	0	0	0	113.3	V243 L245 G249 R263 N264 F308	V243-I266 HydrophobicContact CB-CG2 4.46Å; V243-I266 HydrophobicContact CG1-CG2 4.1Å; V243-I266 HydrophobicContact CG2-CG2 3.81Å; V243-I266 WeakPolarHBondContact O-CB 3.44Å; V243-I266 WeakPolarHBondContact O-CG2 3.48Å; L245-I266 HydrophobicContact CB-CD1 4.45Å; L245-I266 HydrophobicContact CB-CG1 4.39Å; L245-I266 VanDerWaalsContact CB-O 3.31Å; L245-I266 WeakPolarHBondContact CB-O 3.43Å; L245-I266 PolarHBondContact N-O 3.45Å; G249-I266 VanDerWaalsContact O-CD1 3.25Å; G249-I266 WeakPolarHBondContact O-CD1 3.36Å; R263-I266 WeakPolarHBondContact O-CG1 3.31Å; N264-I266 PolarHBondContact O-N 3.1Å; N264-I266 VanDerWaalsContact O-N 3.1Å; I266-F308 HydrophobicContact CD1-CD1 4.26Å; I266-F308 HydrophobicContact CG1-CE1 4.45Å; I266-F308 HydrophobicContact CG2-CD1 3.7Å; I266-F308 HydrophobicContact CG2-CE1 3.72Å; I266-F308 HydrophobicContact CG2-CG 4.43Å; I266-F308 HydrophobicContact CG2-CZ 4.49Å
267	G	96	Very high	95.9	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	25%	0.248	C	C	.	.	S	Bend	trans	-69.4	170.2	175.4	0	0	0	0	0	112.8	N264 R404	N264-G267 PolarHBondContact O-N 2.96Å; N264-G267 VanDerWaalsContact O-N 3.08Å; G267-R404 PolarHBondContact O-NH1 3.48Å; G267-R404 PolarHBondContact O-NH2 2.8Å
268	R	93.8	Very high	96	Very high	114 Å²	114	42.7 Å²	42.7	43%	0.43	24%	0.236	S	C	.	.	S	Bend	trans	-64.3	160.2	-178.7	-76.5	178.2	-161.2	-93.1	6.9	113.2	E54 G113 T246 R402	E54-R268 PolarHBondContact O-NE 3.44Å; E54-R268 PolarHBondContact O-NH2 2.86Å; E54-R268 PolarHBondContact OE1-N 3.21Å; E54-R268 VanDerWaalsContact OE2-CB 3.3Å; E54-R268 WeakPolarHBondContact OE2-CB 3.23Å; E54-R268 WeakPolarHBondContact OE2-CG 3.39Å; E54-R268 PolarHBondContact OE2-N 2.91Å; E54-R268 VanDerWaalsContact OE2-N 3.07Å; E54-R268 IonicContact OE2-NE 3.07Å; G113-R268 PolarHBondContact O-NH2 2.83Å; T246-R268 HydrophobicContact CG2-CG 3.51Å; T246-R268 VanDerWaalsContact CG2-NE 3.28Å; R268-R402 PolarHBondContact O-NH2 2.9Å
269	G	94.3	Very high	96.2	Very high	57 Å²	57	39.8 Å²	39.8	59%	0.588	22%	0.223	S	C	*	.	S	Bend	trans	59.4	-148.1	171.5	0	0	0	0	0	114.1	R402 R404	G269-R402 PolarHBondContact O-NE 3.37Å; G269-R404 PolarHBondContact O-NH2 3.49Å
270	R	94.6	Very high	96.3	Very high	111 Å²	111	34.7 Å²	34.7	42%	0.419	20%	0.201	S	C	.	.	S	Bend	trans	-104.9	159.3	169.6	-61.7	-175.2	72.6	-147.5	4.4	109.2	A272 D322 N324	R270-A272 PolarHBondContact O-N 3.06Å; R270-D322 IonicContact CZ-OD2 3.26Å; R270-D322 IonicContact NE-OD2 3.25Å; R270-D322 PolarHBondContact NE-OD2 3.07Å; R270-D322 IonicContact NH2-OD1 3.7Å; R270-D322 PolarHBondContact NH2-OD1 2.7Å; R270-D322 VanDerWaalsContact NH2-OD1 3.14Å; R270-D322 IonicContact NH2-OD2 2.75Å; R270-D322 PolarHBondContact NH2-OD2 3.03Å; R270-D322 VanDerWaalsContact NH2-OD2 3.1Å; R270-N324 VanDerWaalsContact CZ-CG 3.42Å; R270-N324 VanDerWaalsContact NH2-CB 3.26Å; R270-N324 PolarHBondContact NH2-OD1 3.08Å; R270-N324 VanDerWaalsContact NH2-OD1 3.1Å
271	A	95.2	Very high	96.5	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.025	20%	0.199	C	C	.	.			trans	-60	140.3	175.1	0	0	0	0	0	111.2	N273 D276 N324 H325 S401	A271-N273 WeakPolarHBondContact CB-O 3.28Å; A271-D276 WeakPolarHBondContact CA-OD2 3.43Å; A271-D276 HydrophobicContact CB-CB 4.03Å; A271-N324 PolarHBondContact O-ND2 3.2Å; A271-H325 PolarHBondContact O-CD2 2.96Å; A271-H325 VanDerWaalsContact O-CD2 3.31Å; A271-H325 PolarHBondContact O-NE2 3.33Å; A271-S401 WeakPolarHBondContact CB-OG 2.98Å; A271-S401 PolarHBondContact N-OG 3.39Å
272	A	94.8	Very high	96.5	Very high	64 Å²	64	42.2 Å²	42.2	53%	0.529	23%	0.226	S	C	.	.	S	Bend	trans	-75.5	-27.2	175.2	0	0	0	0	0	112.9	R270 D276 H325	R270-A272 PolarHBondContact O-N 3.06Å; A272-D276 PolarHBondContact N-OD2 3.22Å; A272-H325 VanDerWaalsContact C-NE2 3.35Å; A272-H325 PolarHBondContact O-CE1 3.17Å; A272-H325 PolarHBondContact O-NE2 3.33Å
273	N	95.5	Very high	96.4	Very high	61 Å²	61	44.8 Å²	44.8	33%	0.326	24%	0.236	S	C	.	.	S	Bend	trans	-162.6	-174.1	178.6	58.8	57	0	0	0	109.4	A271 A275 D276 H325	A271-N273 WeakPolarHBondContact CB-O 3.28Å; N273-A275 WeakPolarHBondContact OD1-CA 3.11Å; N273-A275 VanDerWaalsContact OD1-CB 3.32Å; N273-A275 WeakPolarHBondContact OD1-CB 3.46Å; N273-A275 PolarHBondContact OD1-N 2.76Å; N273-D276 PolarHBondContact O-N 2.77Å; N273-D276 PolarHBondContact OD1-N 3.3Å; N273-H325 VanDerWaalsContact CA-CD2 3.44Å; N273-H325 WeakPolarHBondContact CA-CD2 3.47Å
274	M	96.2	Very high	96.2	Very high	80 Å²	80	50 Å²	50	39%	0.394	27%	0.266	S	S	.	.	S	Bend	trans	-67.7	-32	179.6	-66.2	-173	-59.9	0	0	113.8	D276 G277 H325 F326	M274-D276 PolarHBondContact O-N 3.39Å; M274-G277 PolarHBondContact O-N 3.42Å; M274-H325 HydrophobicContact CG-CB 3.66Å; M274-F326 HydrophobicContact CB-CE1 3.85Å; M274-F326 HydrophobicContact CB-CZ 4.06Å; M274-F326 HydrophobicContact CG-CD1 4.05Å; M274-F326 HydrophobicContact CG-CE1 3.9Å; M274-F326 HydrophobicContact CG-CZ 4.34Å; M274-F326 HydrophobicContact SD-CD1 4.04Å; M274-F326 HydrophobicContact SD-CE1 4.2Å
275	A	93.5	Very high	96	Very high	60 Å²	60	51.9 Å²	51.9	50%	0.496	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.7	-180	0	0	0	0	0	112.3	N264 N273 G277	N264-A275 PolarHBondContact ND2-O 3.38Å; N273-A275 WeakPolarHBondContact OD1-CA 3.11Å; N273-A275 VanDerWaalsContact OD1-CB 3.32Å; N273-A275 WeakPolarHBondContact OD1-CB 3.46Å; N273-A275 PolarHBondContact OD1-N 2.76Å; A275-G277 PolarHBondContact O-N 3.47Å
276	D	95.4	Very high	95.5	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.032	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	13.2	170.7	-172.9	32	0	0	0	112.8	R75 A271 A272 N273 M274 R402	R75-D276 IonicContact CZ-OD1 2.78Å; R75-D276 VanDerWaalsContact CZ-OD1 3.23Å; R75-D276 IonicContact CZ-OD2 3.48Å; R75-D276 IonicContact NE-OD1 3.92Å; R75-D276 IonicContact NH1-OD1 3.65Å; R75-D276 PolarHBondContact NH1-OD1 3.09Å; R75-D276 IonicContact NH1-OD2 3.4Å; R75-D276 PolarHBondContact NH1-OD2 2.97Å; R75-D276 IonicContact NH2-OD1 3.91Å; R75-D276 PolarHBondContact NH2-OD1 2.91Å; R75-D276 IonicContact NH2-OD2 3.4Å; A271-D276 WeakPolarHBondContact CA-OD2 3.43Å; A271-D276 HydrophobicContact CB-CB 4.03Å; A272-D276 PolarHBondContact N-OD2 3.22Å; N273-D276 PolarHBondContact O-N 2.77Å; N273-D276 PolarHBondContact OD1-N 3.3Å; M274-D276 PolarHBondContact O-N 3.39Å; D276-R402 PolarHBondContact O-NH1 3.12Å; D276-R402 IonicContact OD1-NH1 3.38Å; D276-R402 IonicContact OD1-NH2 2.81Å; D276-R402 PolarHBondContact OD1-NH2 2.87Å; D276-R402 IonicContact OD2-CZ 2.78Å; D276-R402 IonicContact OD2-NH1 3.86Å; D276-R402 IonicContact OD2-NH2 2.55Å; D276-R402 PolarHBondContact OD2-NH2 3.17Å
277	G	97.3	Very high	95.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-110.2	-157.7	169.6	0	0	0	0	0	112.2	G260 H261 N264 M274 A275	G260-G277 WeakPolarHBondContact CA-O 3.46Å; H261-G277 PolarHBondContact N-O 3.41Å; N264-G277 PolarHBondContact ND2-O 3.47Å; N264-G277 VanDerWaalsContact ND2-O 3.16Å; M274-G277 PolarHBondContact O-N 3.42Å; A275-G277 PolarHBondContact O-N 3.47Å
278	W	98.6	Very high	95.1	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.4	165.3	170.5	44.4	0	0	0	108.4	D256 P262 M265 T280 E304 A306 L392 I394 G399 V400	D256-W278 PolarHBondContact O-NE1 2.78Å; P262-W278 HydrophobicContact CB-CD2 4.33Å; P262-W278 HydrophobicContact CB-CG 4.17Å; P262-W278 HydrophobicContact CG-CD2 4.13Å; P262-W278 HydrophobicContact CG-CG 3.91Å; M265-W278 HydrophobicContact CE-CB 4.32Å; M265-W278 HydrophobicContact CE-CD2 4.05Å; M265-W278 HydrophobicContact CE-CE3 3.39Å; M265-W278 HydrophobicContact CE-CG 4.46Å; M265-W278 HydrophobicContact CE-CZ3 4.02Å; M265-W278 HydrophobicContact CG-CB 3.91Å; M265-W278 HydrophobicContact SD-CB 4.04Å; M265-W278 HydrophobicContact SD-CD2 4.4Å; M265-W278 HydrophobicContact SD-CE3 3.64Å; W278-T280 HydrophobicContact CD2-CG2 4.43Å; W278-T280 HydrophobicContact CH2-CG2 4.16Å; W278-T280 HydrophobicContact CZ2-CG2 3.37Å; W278-E304 HydrophobicContact CH2-CB 4.33Å; W278-E304 HydrophobicContact CZ2-CB 4.44Å; W278-A306 HydrophobicContact CE3-CB 4.42Å; W278-A306 HydrophobicContact CH2-CB 3.96Å; W278-A306 HydrophobicContact CZ2-CB 4.26Å; W278-A306 HydrophobicContact CZ3-CB 4.04Å; W278-L392 HydrophobicContact CZ3-CD2 4.33Å; W278-I394 HydrophobicContact CE3-CD1 4.46Å; W278-I394 HydrophobicContact CH2-CD1 4Å; W278-I394 HydrophobicContact CH2-CG1 4.18Å; W278-I394 HydrophobicContact CZ3-CD1 3.88Å; W278-I394 HydrophobicContact CZ3-CG1 4.25Å; W278-I394 HydrophobicContact CZ3-CG2 4.36Å; W278-G399 CarbonylContact O-C 3.59Å; W278-G399 WeakPolarHBondContact O-CA 3.44Å; W278-V400 PolarHBondContact N-O 2.85Å; W278-V400 PolarHBondContact O-N 3.35Å
279	E	98.6	Very high	95.2	Very high	31 Å²	31	69.2 Å²	69.2	15%	0.145	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.1	176	175.9	178.2	-172.2	0	0	110.4	H258 F259 F326 N329 G398	H258-E279 PolarHBondContact N-O 3.49Å; H258-E279 VanDerWaalsContact N-O 3.09Å; F259-E279 HydrophobicContact CB-CB 4.13Å; F259-E279 PolarHBondContact N-O 3.44Å; F259-E279 PolarHBondContact O-N 2.87Å; F259-E279 VanDerWaalsContact O-O 3.11Å; E279-F326 HydrophobicContact CB-CE1 3.86Å; E279-F326 HydrophobicContact CB-CZ 4.28Å; E279-F326 HydrophobicContact CG-CE1 4.33Å; E279-N329 PolarHBondContact OE1-ND2 3.17Å; E279-N329 PolarHBondContact OE2-ND2 3.47Å; E279-G398 WeakPolarHBondContact CA-O 3.36Å
280	T	98.5	Very high	95.3	Very high	4 Å²	4	71.3 Å²	71.3	3%	0.025	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-98.6	158.2	178.7	65.8	0	0	0	0	112.2	D256 W278 E304 I394 D397 G398	D256-T280 HydrophobicContact CB-CG2 4.19Å; D256-T280 WeakPolarHBondContact OD1-CA 3.12Å; D256-T280 WeakPolarHBondContact OD1-CB 3.35Å; W278-T280 HydrophobicContact CD2-CG2 4.43Å; W278-T280 HydrophobicContact CH2-CG2 4.16Å; W278-T280 HydrophobicContact CZ2-CG2 3.37Å; T280-E304 HydrophobicContact CG2-CB 3.82Å; T280-E304 HydrophobicContact CG2-CG 3.89Å; T280-I394 HydrophobicContact CG2-CD1 4.3Å; T280-D397 WeakPolarHBondContact OG1-CB 3.32Å; T280-G398 PolarHBondContact N-O 2.67Å; T280-G398 PolarHBondContact OG1-N 3.05Å; T280-G398 PolarHBondContact OG1-O 3.41Å
281	A	97.8	Very high	95.4	Very high	33 Å²	33	73.3 Å²	73.3	27%	0.273	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61.8	145.5	170.7	0	0	0	0	0	110.1	D256 H258 R283 D397	D256-A281 PolarHBondContact OD1-N 3.16Å; H258-A281 HydrophobicContact CB-CB 4Å; H258-A281 VanDerWaalsContact CB-N 3.32Å; A281-R283 PolarHBondContact O-N 3.31Å; A281-D397 WeakPolarHBondContact O-CB 3.16Å
282	R	96.8	Very high	95.5	Very high	173 Å²	173	75.9 Å²	75.9	65%	0.653	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-58.6	122.4	168.9	-80.4	178.3	-178.2	-170	3.8	109.7
283	R	95.3	Very high	95.5	Very high	54 Å²	54	75.5 Å²	75.5	20%	0.204	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-66.5	145.5	177.2	-69.1	-178.9	68.3	100	0.1	111.4	A281 D285 R286 W303 E304 P396 D397	A281-R283 PolarHBondContact O-N 3.31Å; R283-D285 WeakPolarHBondContact CB-OD1 3.45Å; R283-D285 IonicContact CZ-OD1 3.1Å; R283-D285 IonicContact CZ-OD2 2.78Å; R283-D285 IonicContact NE-OD1 3.8Å; R283-D285 PolarHBondContact NE-OD1 3.03Å; R283-D285 IonicContact NE-OD2 3.88Å; R283-D285 IonicContact NH2-OD1 3.14Å; R283-D285 IonicContact NH2-OD2 2.78Å; R283-D285 PolarHBondContact NH2-OD2 3Å; R283-R286 VanDerWaalsContact O-CD 3.28Å; R283-R286 WeakPolarHBondContact O-CD 3.35Å; R283-R286 WeakPolarHBondContact O-CG 3.41Å; R283-R286 PolarHBondContact O-NE 3.35Å; R283-R286 VanDerWaalsContact O-NE 3.11Å; R283-W303 PolarHBondContact NH1-O 2.91Å; R283-W303 VanDerWaalsContact NH1-O 3.16Å; R283-E304 WeakPolarHBondContact CD-OE1 3.39Å; R283-E304 IonicContact CZ-OE1 3.05Å; R283-E304 IonicContact NH1-OE1 3.91Å; R283-E304 PolarHBondContact NH1-OE1 3.17Å; R283-P396 WeakPolarHBondContact CD-O 3.27Å; R283-D397 WeakPolarHBondContact CB-OD2 3.3Å; R283-D397 HydrophobicContact CG-CB 4.06Å; R283-D397 WeakPolarHBondContact CG-OD2 3.05Å; R283-D397 PolarHBondContact N-OD2 3.46Å
284	L	94.3	Very high	95.6	Very high	160 Å²	160	81.6 Å²	81.6	84%	0.838	41%	0.411	S	S	*	.	S	Bend	trans	-93.7	-16.1	-177.8	-59.9	-176.9	0	0	0	113.1	R286	L284-R286 VanDerWaalsContact C-N 3.3Å
285	D	93.4	Very high	95.4	Very high	75 Å²	75	84 Å²	84	40%	0.401	42%	0.422	S	S	.	.			trans	-86.6	3.6	179.6	62.7	-17.5	0	0	0	113.7	R283 P301	R283-D285 WeakPolarHBondContact CB-OD1 3.45Å; R283-D285 IonicContact CZ-OD1 3.1Å; R283-D285 IonicContact CZ-OD2 2.78Å; R283-D285 IonicContact NE-OD1 3.8Å; R283-D285 PolarHBondContact NE-OD1 3.03Å; R283-D285 IonicContact NE-OD2 3.88Å; R283-D285 IonicContact NH2-OD1 3.14Å; R283-D285 IonicContact NH2-OD2 2.78Å; R283-D285 PolarHBondContact NH2-OD2 3Å; D285-P301 HydrophobicContact CB-CG 4.48Å; D285-P301 WeakPolarHBondContact O-CG 3.48Å
286	R	88.4	Confident	95.5	Very high	109 Å²	109	82.7 Å²	82.7	41%	0.411	41%	0.414	S	S	.	.			trans	-55.5	138.5	175.3	53.5	-174.5	168.6	-153.6	-12.7	112.5	R283 L284	R283-R286 VanDerWaalsContact O-CD 3.28Å; R283-R286 WeakPolarHBondContact O-CD 3.35Å; R283-R286 WeakPolarHBondContact O-CG 3.41Å; R283-R286 PolarHBondContact O-NE 3.35Å; R283-R286 VanDerWaalsContact O-NE 3.11Å; L284-R286 VanDerWaalsContact C-N 3.3Å
287	P	91.9	Very high	95.6	Very high	47 Å²	47	83.2 Å²	83.2	31%	0.305	42%	0.416	S	S	.	.			trans	-71.8	152.2	-176	31.2	-35.6	0	0	0	111	T289 L290	P287-T289 PolarHBondContact O-N 3.09Å; P287-L290 HydrophobicContact CG-CD2 3.96Å
288	K	93.9	Very high	95.6	Very high	218 Å²	218	85 Å²	85	95%	0.948	43%	0.425	S	S	*	.	S	Bend	trans	-61.6	-31.1	176.8	-64.9	179.8	-179.1	177.5	0	112.7
289	T	95.4	Very high	95.5	Very high	108 Å²	108	89.9 Å²	89.9	66%	0.663	45%	0.448	S	S	*	.	S	Bend	trans	-127.8	121.1	178.4	-52.1	0	0	0	0	108.3	P287	P287-T289 PolarHBondContact O-N 3.09Å
290	L	95.3	Very high	95.2	Very high	100 Å²	100	89.8 Å²	89.8	52%	0.524	45%	0.45	S	S	.	.			trans	-78.3	138.9	177.2	-65	171.9	0	0	0	110	P287 L298 V300	P287-L290 HydrophobicContact CG-CD2 3.96Å; L290-L298 HydrophobicContact CB-CD2 4.04Å; L290-L298 HydrophobicContact CD1-CD1 4.04Å; L290-L298 HydrophobicContact CD2-CD1 4.27Å; L290-V300 HydrophobicContact CD2-CG1 4.01Å
291	K	96.6	Very high	94.8	Very high	153 Å²	153	92.3 Å²	92.3	67%	0.665	47%	0.466	S	S	*	.			trans	-123.2	145.2	171.4	-64.7	-176.9	-179.9	-178.8	0	108.3	L298 Q299	K291-L298 WeakPolarHBondContact O-CA 3.29Å; K291-Q299 PolarHBondContact O-N 3.19Å
292	A	97	Very high	94.4	Very high	57 Å²	57	91.6 Å²	91.6	47%	0.471	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-115.6	154	174.8	0	0	0	0	0	110.2	I297 L298	A292-I297 CarbonylContact C-O 3.44Å; A292-I297 VanDerWaalsContact CA-O 3.26Å; A292-I297 WeakPolarHBondContact CA-O 3.49Å; A292-L298 HydrophobicContact CB-CD2 4.28Å
293	D	96.3	Very high	94.4	Very high	56 Å²	56	89.4 Å²	89.4	30%	0.299	45%	0.454	S	S	.	.			trans	-77.9	-174.8	166.1	61.3	23.5	0	0	0	111.6	Q295 G296 I297 Q299	D293-Q295 PolarHBondContact O-N 3.32Å; D293-Q295 WeakPolarHBondContact OD1-CA 3.14Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.13Å; D293-Q295 PolarHBondContact OD1-N 3Å; D293-G296 PolarHBondContact O-N 3.04Å; D293-G296 PolarHBondContact OD1-N 2.75Å; D293-I297 PolarHBondContact N-O 2.83Å; D293-I297 PolarHBondContact OD1-N 2.83Å; D293-Q299 PolarHBondContact OD2-NE2 2.84Å
294	Q	96.1	Very high	94.5	Very high	189 Å²	189	87.7 Å²	87.7	88%	0.883	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.2	-179.9	-65	177.7	-6.4	0	0	112.8	G296	Q294-G296 VanDerWaalsContact C-N 3.29Å
295	Q	93.4	Very high	94.7	Very high	132 Å²	132	81.9 Å²	81.9	62%	0.617	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	0.5	177.3	-64.1	70.6	27	0	0	111.6	D293 I297	D293-Q295 PolarHBondContact O-N 3.32Å; D293-Q295 WeakPolarHBondContact OD1-CA 3.14Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.13Å; D293-Q295 PolarHBondContact OD1-N 3Å; Q295-I297 VanDerWaalsContact C-N 3.28Å; Q295-I297 PolarHBondContact O-N 3.23Å
296	G	96.1	Very high	95	Very high	32 Å²	32	78.3 Å²	78.3	33%	0.33	40%	0.396	S	S	.	.			trans	78.2	8.1	-179.8	0	0	0	0	0	113.9	D293 Q294 K367	D293-G296 PolarHBondContact O-N 3.04Å; D293-G296 PolarHBondContact OD1-N 2.75Å; Q294-G296 VanDerWaalsContact C-N 3.29Å; G296-K367 WeakPolarHBondContact O-CD 3.39Å; G296-K367 WeakPolarHBondContact O-CE 3.38Å; G296-K367 PolarHBondContact O-NZ 2.9Å
297	I	97.6	Very high	95.5	Very high	16 Å²	16	73.1 Å²	73.1	8%	0.082	38%	0.377	C	S	.	.			trans	-79.9	130.2	178.9	-64.5	174.8	0	0	0	109.3	A292 D293 Q295 Q299 P365 K367	A292-I297 CarbonylContact C-O 3.44Å; A292-I297 VanDerWaalsContact CA-O 3.26Å; A292-I297 WeakPolarHBondContact CA-O 3.49Å; D293-I297 PolarHBondContact N-O 2.83Å; D293-I297 PolarHBondContact OD1-N 2.83Å; Q295-I297 VanDerWaalsContact C-N 3.28Å; Q295-I297 PolarHBondContact O-N 3.23Å; I297-Q299 PolarHBondContact O-N 3.13Å; I297-Q299 PolarHBondContact O-NE2 2.82Å; I297-P365 HydrophobicContact CD1-CB 4.04Å; I297-K367 HydrophobicContact CG1-CB 4.08Å; I297-K367 HydrophobicContact CG1-CD 4.07Å
298	L	96.6	Very high	95.8	Very high	37 Å²	37	70.9 Å²	70.9	19%	0.194	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-67.5	132.8	-178.8	-67.4	-179	0	0	0	111.7	L290 K291 A292 V300 D332	L290-L298 HydrophobicContact CB-CD2 4.04Å; L290-L298 HydrophobicContact CD1-CD1 4.04Å; L290-L298 HydrophobicContact CD2-CD1 4.27Å; K291-L298 WeakPolarHBondContact O-CA 3.29Å; A292-L298 HydrophobicContact CB-CD2 4.28Å; L298-V300 HydrophobicContact CB-CG1 4.01Å; L298-V300 PolarHBondContact O-N 3.11Å; L298-D332 HydrophobicContact CB-CB 4.4Å; L298-D332 WeakPolarHBondContact CB-OD2 3.44Å; L298-D332 HydrophobicContact CD1-CB 4.01Å; L298-D332 VanDerWaalsContact CD1-CG 3.46Å; L298-D332 WeakPolarHBondContact CD1-OD1 3.1Å; L298-D332 HydrophobicContact CG-CB 4.32Å; L298-D332 VanDerWaalsContact CG-OD1 3.22Å; L298-D332 WeakPolarHBondContact CG-OD1 3.45Å; L298-D332 WeakPolarHBondContact CG-OD2 3.32Å; L298-D332 PolarHBondContact N-OD2 3.45Å
299	Q	95.5	Very high	96	Very high	104 Å²	104	64.4 Å²	64.4	49%	0.486	33%	0.332	S	S	.	.			trans	-89.3	89.6	175.2	-55.2	-57.4	-57.7	0	0	108.5	K291 D293 I297	K291-Q299 PolarHBondContact O-N 3.19Å; D293-Q299 PolarHBondContact OD2-NE2 2.84Å; I297-Q299 PolarHBondContact O-N 3.13Å; I297-Q299 PolarHBondContact O-NE2 2.82Å
300	V	92.9	Very high	96.1	Very high	29 Å²	29	59.5 Å²	59.5	18%	0.176	30%	0.301	C	S	.	.			trans	-117.9	147.7	-174.8	-69.2	0	0	0	0	111.4	L290 L298 A395 P396	L290-V300 HydrophobicContact CD2-CG1 4.01Å; L298-V300 HydrophobicContact CB-CG1 4.01Å; L298-V300 PolarHBondContact O-N 3.11Å; V300-A395 HydrophobicContact CG2-CB 4.17Å; V300-P396 HydrophobicContact CB-CB 4.09Å; V300-P396 HydrophobicContact CG1-CB 4.38Å; V300-P396 HydrophobicContact CG1-CG 4.36Å; V300-P396 HydrophobicContact CG2-CB 3.76Å; V300-P396 HydrophobicContact CG2-CG 4.31Å
301	P	89.4	Confident	96.1	Very high	56 Å²	56	55.7 Å²	55.7	36%	0.364	29%	0.286	S	S	.	.	S	Bend	trans	-72.8	135.1	169.5	31.4	-31.4	0	0	0	109.7	D285	D285-P301 HydrophobicContact CB-CG 4.48Å; D285-P301 WeakPolarHBondContact O-CG 3.48Å
302	G	91.2	Very high	96.1	Very high	19 Å²	19	49.9 Å²	49.9	20%	0.196	26%	0.261	C	S	.	.			trans	77.2	177.5	172.6	0	0	0	0	0	115.8
303	W	96.2	Very high	96	Very high	126 Å²	126	48.8 Å²	48.8	48%	0.477	25%	0.249	S	C	.	.			trans	-166.1	158.6	-174.1	46.2	77.5	0	0	0	109.9	R283 I393 I394 A395	R283-W303 PolarHBondContact NH1-O 2.91Å; R283-W303 VanDerWaalsContact NH1-O 3.16Å; W303-I393 HydrophobicContact CB-CG2 3.59Å; W303-I393 HydrophobicContact CG-CG2 3.72Å; W303-I394 WeakPolarHBondContact CA-O 3.4Å; W303-I394 WeakPolarHBondContact CB-O 3.39Å; W303-A395 HydrophobicContact CB-CB 4.48Å
304	E	97.9	Very high	96	Very high	18 Å²	18	46.1 Å²	46.1	8%	0.084	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	154.2	169.9	-57.9	-57.8	135.9	0	0	110.2	S255 W278 T280 R283 I393 I394 D397	S255-E304 WeakPolarHBondContact CB-OE2 3.19Å; S255-E304 WeakPolarHBondContact OG-CA 3.35Å; S255-E304 WeakPolarHBondContact OG-CB 3.25Å; S255-E304 PolarHBondContact OG-OE2 2.63Å; W278-E304 HydrophobicContact CH2-CB 4.33Å; W278-E304 HydrophobicContact CZ2-CB 4.44Å; T280-E304 HydrophobicContact CG2-CB 3.82Å; T280-E304 HydrophobicContact CG2-CG 3.89Å; R283-E304 WeakPolarHBondContact CD-OE1 3.39Å; R283-E304 IonicContact CZ-OE1 3.05Å; R283-E304 IonicContact NH1-OE1 3.91Å; R283-E304 PolarHBondContact NH1-OE1 3.17Å; E304-I393 CarbonylContact O-C 3.55Å; E304-I393 WeakPolarHBondContact O-CA 3.46Å; E304-I394 HydrophobicContact CB-CD1 4.24Å; E304-I394 HydrophobicContact CB-CG1 3.79Å; E304-I394 PolarHBondContact N-O 3.31Å; E304-I394 PolarHBondContact O-N 3.09Å; E304-D397 HydrophobicContact CG-CB 4.25Å
305	W	98.3	Very high	95.9	Very high	38 Å²	38	39.7 Å²	39.7	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.1	-174	60.9	-95.4	0	0	0	113.5	G253 Y254 S255 V307 W354 R391 L392 I393	G253-W305 VanDerWaalsContact C-CZ3 3.44Å; Y254-W305 CarbonylContact C-O 3.55Å; Y254-W305 VanDerWaalsContact CA-CZ3 3.5Å; Y254-W305 WeakPolarHBondContact CA-O 3.4Å; Y254-W305 WeakPolarHBondContact CB-O 3.37Å; S255-W305 PolarHBondContact N-O 3.16Å; S255-W305 PolarHBondContact OG-N 2.63Å; S255-W305 PolarHBondContact OG-O 3.09Å; W305-V307 HydrophobicContact CE3-CG2 3.78Å; W305-V307 HydrophobicContact CZ3-CB 4.41Å; W305-V307 HydrophobicContact CZ3-CG2 3.75Å; W305-W354 HydrophobicContact CH2-CB 4.02Å; W305-W354 AromaticContact CH2-CD1 3.9Å; W305-W354 HydrophobicContact CH2-CG 4.28Å; W305-W354 HydrophobicContact CZ3-CB 4.11Å; W305-W354 AromaticContact CZ3-CD1 3.93Å; W305-W354 HydrophobicContact CZ3-CG 4.19Å; W305-R391 HydrophobicContact CB-CG 4.09Å; W305-L392 CarbonylContact C-O 3.59Å; W305-L392 WeakPolarHBondContact CA-O 3.44Å; W305-I393 HydrophobicContact CB-CG1 4.22Å
306	A	98.6	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.9	169.8	0	0	0	0	0	110.2	G253 P262 M265 W278 F308 R391 L392	G253-A306 WeakPolarHBondContact O-CA 3.44Å; P262-A306 HydrophobicContact CB-CB 3.77Å; P262-A306 HydrophobicContact CG-CB 4.23Å; M265-A306 HydrophobicContact CE-CB 4.03Å; W278-A306 HydrophobicContact CE3-CB 4.42Å; W278-A306 HydrophobicContact CH2-CB 3.96Å; W278-A306 HydrophobicContact CZ2-CB 4.26Å; W278-A306 HydrophobicContact CZ3-CB 4.04Å; A306-F308 HydrophobicContact CB-CE2 3.61Å; A306-F308 HydrophobicContact CB-CZ 3.93Å; A306-R391 CarbonylContact O-C 3.58Å; A306-R391 WeakPolarHBondContact O-CA 3.24Å; A306-L392 PolarHBondContact N-O 3.14Å; A306-L392 PolarHBondContact O-N 3.49Å
307	V	98.5	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.2	-178.9	173.9	0	0	0	0	110.6	C251 L252 G253 W305 W354 W359 V390 R391	C251-V307 WeakPolarHBondContact CA-O 3.42Å; L252-V307 HydrophobicContact CB-CG1 4.46Å; L252-V307 PolarHBondContact N-O 2.84Å; G253-V307 PolarHBondContact O-N 3.26Å; W305-V307 HydrophobicContact CE3-CG2 3.78Å; W305-V307 HydrophobicContact CZ3-CB 4.41Å; W305-V307 HydrophobicContact CZ3-CG2 3.75Å; V307-W354 HydrophobicContact CB-CD2 4.08Å; V307-W354 HydrophobicContact CB-CE3 4.43Å; V307-W354 HydrophobicContact CB-CG 4.37Å; V307-W354 HydrophobicContact CG1-CD2 3.77Å; V307-W354 HydrophobicContact CG1-CE3 3.72Å; V307-W354 HydrophobicContact CG1-CH2 3.68Å; V307-W354 HydrophobicContact CG1-CZ2 3.77Å; V307-W354 HydrophobicContact CG1-CZ3 3.65Å; V307-W354 HydrophobicContact CG2-CB 4.13Å; V307-W354 HydrophobicContact CG2-CD2 3.88Å; V307-W354 HydrophobicContact CG2-CE3 4.15Å; V307-W354 HydrophobicContact CG2-CG 3.87Å; V307-W359 HydrophobicContact CG1-CH2 3.96Å; V307-W359 HydrophobicContact CG1-CZ2 4.19Å; V307-W359 HydrophobicContact CG2-CH2 4.15Å; V307-W359 HydrophobicContact CG2-CZ2 3.89Å; V307-V390 CarbonylContact C-O 3.58Å; V307-V390 WeakPolarHBondContact CA-O 3.44Å; V307-R391 HydrophobicContact CG2-CB 4Å; V307-R391 HydrophobicContact CG2-CG 3.82Å
308	F	98.6	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.2	177.9	-57.5	-91.8	0	0	0	111.3	V243 V250 C251 P262 M265 I266 A306 H389 V390 L403	V243-F308 HydrophobicContact CG2-CB 3.61Å; V243-F308 HydrophobicContact CG2-CD1 4.41Å; V243-F308 HydrophobicContact CG2-CG 4.04Å; V250-F308 CarbonylContact O-C 3.4Å; V250-F308 WeakPolarHBondContact O-CA 3.35Å; C251-F308 HydrophobicContact CB-CD1 3.97Å; C251-F308 HydrophobicContact CB-CE1 3.7Å; P262-F308 HydrophobicContact CB-CZ 3.98Å; P262-F308 WeakPolarHBondContact O-CE1 3.43Å; P262-F308 WeakPolarHBondContact O-CZ 3.07Å; M265-F308 HydrophobicContact CE-CE2 3.68Å; M265-F308 HydrophobicContact CE-CZ 3.4Å; M265-F308 VanDerWaalsContact CE-CZ 3.4Å; I266-F308 HydrophobicContact CD1-CD1 4.26Å; I266-F308 HydrophobicContact CG1-CE1 4.45Å; I266-F308 HydrophobicContact CG2-CD1 3.7Å; I266-F308 HydrophobicContact CG2-CE1 3.72Å; I266-F308 HydrophobicContact CG2-CG 4.43Å; I266-F308 HydrophobicContact CG2-CZ 4.49Å; A306-F308 HydrophobicContact CB-CE2 3.61Å; A306-F308 HydrophobicContact CB-CZ 3.93Å; F308-H389 CarbonylContact O-C 3.33Å; F308-H389 VanDerWaalsContact O-CA 3.28Å; F308-H389 WeakPolarHBondContact O-CA 3.25Å; F308-V390 HydrophobicContact CB-CG2 3.87Å; F308-V390 HydrophobicContact CD2-CG2 4.4Å; F308-V390 PolarHBondContact N-O 3.45Å; F308-V390 PolarHBondContact O-N 2.85Å; F308-L403 HydrophobicContact CD2-CD2 4.21Å; F308-L403 HydrophobicContact CE2-CD2 4.34Å
309	R	98.1	Very high	96.2	Very high	83 Å²	83	32.8 Å²	32.8	31%	0.313	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.1	160.5	179.8	155.1	62.4	90.2	3.3	109	G249 V250 L252 E346 H389	G249-R309 VanDerWaalsContact CA-O 3.27Å; G249-R309 WeakPolarHBondContact CA-O 3.11Å; V250-R309 PolarHBondContact N-O 2.97Å; V250-R309 PolarHBondContact O-N 2.94Å; L252-R309 HydrophobicContact CD1-CB 3.71Å; L252-R309 HydrophobicContact CG-CB 4.13Å; R309-E346 WeakPolarHBondContact CD-OE2 3.37Å; R309-E346 IonicContact NE-OE1 3.85Å; R309-E346 PolarHBondContact NE-OE1 2.84Å; R309-E346 IonicContact NE-OE2 3.9Å; R309-E346 PolarHBondContact NE-OE2 2.85Å; R309-H389 WeakPolarHBondContact CD-NE2 3.48Å
310	L	98.1	Very high	96.4	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	147.6	173.3	-55.3	-174.4	0	0	0	109.7	L242 V243 H312 I316 V387 S388 V390 L405	L242-L310 HydrophobicContact CB-CB 4.33Å; L242-L310 HydrophobicContact CB-CD1 4.08Å; L242-L310 HydrophobicContact CB-CD2 4.33Å; L242-L310 HydrophobicContact CB-CG 4.48Å; L242-L310 HydrophobicContact CD1-CD1 4.45Å; L242-L310 CarbonylContact O-C 3.5Å; L242-L310 WeakPolarHBondContact O-CA 3.32Å; L242-L310 WeakPolarHBondContact O-CB 3.28Å; V243-L310 HydrophobicContact CB-CD2 3.69Å; V243-L310 HydrophobicContact CG2-CD2 3.86Å; L310-H312 WeakPolarHBondContact CB-O 3.31Å; L310-H312 PolarHBondContact O-N 3.03Å; L310-I316 HydrophobicContact CD1-CD1 4.13Å; L310-V387 HydrophobicContact CD1-CG2 4.04Å; L310-S388 WeakPolarHBondContact CG-O 3.5Å; L310-S388 PolarHBondContact N-O 3.06Å; L310-V390 HydrophobicContact CD2-CG1 4.37Å; L310-V390 HydrophobicContact CD2-CG2 4.32Å; L310-L405 HydrophobicContact CD2-CD1 3.89Å
311	G	96.1	Very high	96.7	Very high	20 Å²	20	27 Å²	27	21%	0.206	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	-23.7	174.9	0	0	0	0	0	113.3	W231 L242 N247 G248	W231-G311 PolarHBondContact NE1-O 3.15Å; L242-G311 PolarHBondContact O-N 3.11Å; N247-G311 VanDerWaalsContact O-CA 3.26Å; N247-G311 WeakPolarHBondContact O-CA 3.41Å; G248-G311 VanDerWaalsContact C-CA 3.44Å; G248-G311 WeakPolarHBondContact O-CA 3.36Å
312	H	95.4	Very high	97.1	Very high	32 Å²	32	24.3 Å²	24.3	15%	0.148	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	140.8	168.7	-163.9	-72.3	0	0	0	109.6	W231 L242 L310 R410	W231-H312 AromaticContact CD1-CD2 3.74Å; W231-H312 HydrophobicContact CD2-CB 3.77Å; W231-H312 AromaticContact CD2-CD2 3.68Å; W231-H312 AromaticContact CD2-CG 4Å; W231-H312 VanDerWaalsContact CE2-CB 3.45Å; W231-H312 HydrophobicContact CE3-CB 4.01Å; W231-H312 HydrophobicContact CG-CB 4.46Å; W231-H312 AromaticContact CG-CD2 3.52Å; W231-H312 HydrophobicContact CH2-CB 3.66Å; W231-H312 HydrophobicContact CZ2-CB 3.4Å; W231-H312 HydrophobicContact CZ3-CB 3.96Å; W231-H312 AromaticContact NE1-CD2 3.98Å; L242-H312 HydrophobicContact CD2-CB 4.49Å; L310-H312 WeakPolarHBondContact CB-O 3.31Å; L310-H312 PolarHBondContact O-N 3.03Å; H312-R410 PolarHBondContact CE1-O 3.44Å; H312-R410 VanDerWaalsContact CE1-O 3.28Å
313	P	95.6	Very high	97.5	Very high	33 Å²	33	23.4 Å²	23.4	21%	0.214	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	145.1	171.1	-23.5	33.3	0	0	0	111.6	L340 V387 R410 V412	P313-L340 HydrophobicContact CB-CD1 4.46Å; P313-V387 CarbonylContact C-O 3.47Å; P313-V387 WeakPolarHBondContact CA-O 3.33Å; P313-R410 PolarHBondContact O-N 2.99Å; P313-V412 HydrophobicContact CB-CG2 3.51Å; P313-V412 HydrophobicContact CG-CG2 3.95Å
314	G	95.2	Very high	97.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	174.6	-176	0	0	0	0	0	114.7	P386 V387 R408	G314-P386 WeakPolarHBondContact O-CA 3.09Å; G314-V387 PolarHBondContact N-O 3.41Å; G314-V387 PolarHBondContact O-N 3.15Å; G314-R408 CarbonylContact C-O 3.54Å; G314-R408 WeakPolarHBondContact CA-O 3.49Å
315	L	95.6	Very high	97.6	Very high	55 Å²	55	19.5 Å²	19.5	29%	0.288	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.2	173.3	-69.1	170.4	0	0	0	108.8	T384 P386 G407 R408 R410	L315-T384 WeakPolarHBondContact CD2-O 3.43Å; L315-P386 HydrophobicContact CD2-CB 4.47Å; L315-P386 HydrophobicContact CD2-CG 3.89Å; L315-P386 HydrophobicContact CG-CG 4.18Å; L315-G407 CarbonylContact O-C 3.51Å; L315-G407 WeakPolarHBondContact O-CA 3.45Å; L315-R408 PolarHBondContact N-O 2.96Å; L315-R408 PolarHBondContact O-N 2.92Å; L315-R410 HydrophobicContact CD1-CG 4.18Å; L315-R410 HydrophobicContact CG-CG 3.99Å
316	I	97.3	Very high	97.6	Very high	11 Å²	11	17.7 Å²	17.7	6%	0.056	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.6	177.5	-50.6	-48	0	0	0	109.1	L242 L310 I319 L362 L381 V387 L405	L242-I316 HydrophobicContact CD1-CD1 3.73Å; L310-I316 HydrophobicContact CD1-CD1 4.13Å; I316-I319 HydrophobicContact CG2-CD1 4.31Å; I316-I319 HydrophobicContact CG2-CG1 3.84Å; I316-L362 HydrophobicContact CB-CD1 4.39Å; I316-L362 HydrophobicContact CB-CD2 4.31Å; I316-L362 HydrophobicContact CG1-CD2 3.99Å; I316-L362 HydrophobicContact CG2-CD2 4.4Å; I316-L381 HydrophobicContact CG2-CD1 4.08Å; I316-V387 HydrophobicContact CD1-CG2 4.2Å; I316-V387 HydrophobicContact CG1-CG2 3.87Å; I316-L405 HydrophobicContact CD1-CB 4.11Å; I316-L405 HydrophobicContact CG2-CD2 4.42Å
317	G	96.3	Very high	97.6	Very high	21 Å²	21	24.5 Å²	24.5	22%	0.216	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-30.7	178.6	0	0	0	0	0	113.4	K378 W406	G317-K378 WeakPolarHBondContact O-CA 3.41Å; G317-K378 WeakPolarHBondContact O-CB 3.48Å; G317-K378 PolarHBondContact O-N 2.8Å; G317-W406 PolarHBondContact N-O 2.7Å
318	S	97.9	Very high	97.6	Very high	38 Å²	38	27.8 Å²	27.8	27%	0.266	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	158	172.4	61	0	0	0	0	112.1	Y376 W406	S318-Y376 CarbonylContact C-O 3.49Å; S318-Y376 VanDerWaalsContact CA-O 3.22Å; S318-Y376 WeakPolarHBondContact CA-O 3.49Å; S318-Y376 VanDerWaalsContact CB-O 3.23Å; S318-Y376 WeakPolarHBondContact CB-O 3.19Å; S318-W406 PolarHBondContact N-O 2.86Å; S318-W406 PolarHBondContact O-N 3.19Å; S318-W406 WeakPolarHBondContact OG-CB 3.34Å
319	I	98.8	Very high	97.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142	-176.7	-58.5	-173.1	0	0	0	109.1	I316 V321 I336 L362 L363 Y376 L381 L403 R404 L405	I316-I319 HydrophobicContact CG2-CD1 4.31Å; I316-I319 HydrophobicContact CG2-CG1 3.84Å; I319-V321 HydrophobicContact CG2-CG2 4.2Å; I319-I336 HydrophobicContact CD1-CD1 3.88Å; I319-I336 HydrophobicContact CG2-CD1 3.59Å; I319-L362 HydrophobicContact CD1-CD2 3.88Å; I319-L362 HydrophobicContact CD1-CG 4.06Å; I319-L363 HydrophobicContact CD1-CB 4.15Å; I319-Y376 HydrophobicContact CB-CD2 4.33Å; I319-Y376 HydrophobicContact CG2-CD2 4.25Å; I319-Y376 PolarHBondContact N-O 3.26Å; I319-Y376 PolarHBondContact O-N 3.05Å; I319-L381 HydrophobicContact CD1-CD2 3.56Å; I319-L381 HydrophobicContact CG1-CD1 4.4Å; I319-L381 HydrophobicContact CG1-CD2 3.93Å; I319-L403 HydrophobicContact CG2-CD1 4.35Å; I319-R404 WeakPolarHBondContact CA-O 3.33Å; I319-L405 HydrophobicContact CB-CD2 4.12Å; I319-L405 HydrophobicContact CD1-CD2 3.77Å; I319-L405 HydrophobicContact CG1-CD2 3.56Å; I319-L405 HydrophobicContact CG2-CD2 3.84Å
320	E	98.8	Very high	97.6	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.047	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.7	164.6	-171.6	-177.8	146.6	0	0	110.5	R373 H374 H375 L403 R404	E320-R373 VanDerWaalsContact CD-NH2 3.27Å; E320-R373 IonicContact OE1-CZ 3.39Å; E320-R373 IonicContact OE1-NE 3.13Å; E320-R373 PolarHBondContact OE1-NE 2.63Å; E320-R373 IonicContact OE1-NH2 3.19Å; E320-R373 PolarHBondContact OE1-NH2 2.87Å; E320-R373 IonicContact OE2-CZ 3.6Å; E320-R373 IonicContact OE2-NE 3.91Å; E320-R373 IonicContact OE2-NH2 2.71Å; E320-R373 PolarHBondContact OE2-NH2 2.87Å; E320-H374 VanDerWaalsContact CA-O 3.26Å; E320-H374 WeakPolarHBondContact CA-O 3.4Å; E320-H375 IonicContact OE2-CE1 3.2Å; E320-H375 PolarHBondContact OE2-CE1 2.86Å; E320-H375 IonicContact OE2-ND1 3.84Å; E320-L403 WeakPolarHBondContact O-CA 3.38Å; E320-R404 HydrophobicContact CB-CB 3.78Å; E320-R404 HydrophobicContact CB-CG 3.91Å; E320-R404 PolarHBondContact N-O 3.17Å; E320-R404 PolarHBondContact O-N 3.17Å
321	V	98.9	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.5	165.9	-178.8	0	0	0	0	107.8	I319 I336 L368 H374 Y376 V400 L403	I319-V321 HydrophobicContact CG2-CG2 4.2Å; V321-I336 HydrophobicContact CG2-CD1 4.34Å; V321-L368 HydrophobicContact CG1-CD2 4.27Å; V321-H374 HydrophobicContact CB-CB 4.45Å; V321-H374 PolarHBondContact N-O 3.3Å; V321-H374 WeakPolarHBondContact O-CB 3.05Å; V321-H374 PolarHBondContact O-N 3.35Å; V321-H374 PolarHBondContact O-ND1 3.08Å; V321-Y376 HydrophobicContact CG2-CE2 4.29Å; V321-V400 HydrophobicContact CG1-CG1 4.01Å; V321-L403 HydrophobicContact CG2-CD1 4.09Å
322	D	98.8	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.3	179.7	-167.8	-4.9	0	0	0	109.9	R270 N324 H372 R373 S401 R402	R270-D322 IonicContact CZ-OD2 3.26Å; R270-D322 IonicContact NE-OD2 3.25Å; R270-D322 PolarHBondContact NE-OD2 3.07Å; R270-D322 IonicContact NH2-OD1 3.7Å; R270-D322 PolarHBondContact NH2-OD1 2.7Å; R270-D322 VanDerWaalsContact NH2-OD1 3.14Å; R270-D322 IonicContact NH2-OD2 2.75Å; R270-D322 PolarHBondContact NH2-OD2 3.03Å; R270-D322 VanDerWaalsContact NH2-OD2 3.1Å; D322-N324 WeakPolarHBondContact OD1-CA 3.47Å; D322-N324 WeakPolarHBondContact OD1-CB 3.39Å; D322-N324 PolarHBondContact OD1-N 2.65Å; D322-H372 WeakPolarHBondContact CA-O 3.41Å; D322-R373 HydrophobicContact CB-CG 4.29Å; D322-S401 WeakPolarHBondContact O-CA 3.45Å; D322-S401 VanDerWaalsContact O-CB 3.24Å; D322-S401 WeakPolarHBondContact O-CB 3.46Å; D322-S401 PolarHBondContact O-N 3.15Å; D322-R402 HydrophobicContact CB-CB 4.03Å; D322-R402 PolarHBondContact N-O 3.02Å; D322-R402 PolarHBondContact O-N 3.37Å
323	T	98.8	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.			trans	-102.1	25.3	172.6	57.3	0	0	0	0	111.7	H325 F326 F330 L368 R369 H371 H372	T323-H325 PolarHBondContact O-N 3.32Å; T323-F326 WeakPolarHBondContact O-CB 3.48Å; T323-F326 PolarHBondContact O-N 2.94Å; T323-F330 HydrophobicContact CG2-CB 4.07Å; T323-L368 HydrophobicContact CG2-CD1 4.39Å; T323-R369 PolarHBondContact OG1-O 2.98Å; T323-H371 WeakPolarHBondContact O-CA 3.31Å; T323-H371 PolarHBondContact O-N 2.86Å; T323-H371 PolarHBondContact OG1-N 2.94Å; T323-H372 PolarHBondContact N-O 2.9Å; T323-H372 PolarHBondContact OG1-N 3.33Å; T323-H372 PolarHBondContact OG1-O 3.16Å
324	N	98.5	Very high	98	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.037	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.9	141.4	176.5	-162.9	28.5	0	0	0	112.1	R270 A271 D322 F326 H371 S401	R270-N324 VanDerWaalsContact CZ-CG 3.42Å; R270-N324 VanDerWaalsContact NH2-CB 3.26Å; R270-N324 PolarHBondContact NH2-OD1 3.08Å; R270-N324 VanDerWaalsContact NH2-OD1 3.1Å; A271-N324 PolarHBondContact O-ND2 3.2Å; D322-N324 WeakPolarHBondContact OD1-CA 3.47Å; D322-N324 WeakPolarHBondContact OD1-CB 3.39Å; D322-N324 PolarHBondContact OD1-N 2.65Å; N324-F326 WeakPolarHBondContact O-CD2 3.25Å; N324-F326 PolarHBondContact O-N 2.71Å; N324-H371 PolarHBondContact OD1-CE1 3.33Å; N324-H371 PolarHBondContact OD1-ND1 3.23Å; N324-S401 WeakPolarHBondContact CB-OG 3.31Å
325	H	98.3	Very high	98.1	Very high	56 Å²	56	28.1 Å²	28.1	26%	0.259	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-18.9	-171.8	-55.7	-70	0	0	0	118.1	A271 A272 N273 M274 T323 K327 H371	A271-H325 PolarHBondContact O-CD2 2.96Å; A271-H325 VanDerWaalsContact O-CD2 3.31Å; A271-H325 PolarHBondContact O-NE2 3.33Å; A272-H325 VanDerWaalsContact C-NE2 3.35Å; A272-H325 PolarHBondContact O-CE1 3.17Å; A272-H325 PolarHBondContact O-NE2 3.33Å; N273-H325 VanDerWaalsContact CA-CD2 3.44Å; N273-H325 WeakPolarHBondContact CA-CD2 3.47Å; M274-H325 HydrophobicContact CG-CB 3.66Å; T323-H325 PolarHBondContact O-N 3.32Å; H325-K327 PolarHBondContact O-N 3.2Å; H325-K327 VanDerWaalsContact O-N 3.1Å; H325-H371 PolarHBondContact N-ND1 2.73Å
326	F	98.4	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.			trans	-82.4	88.8	175.3	-61.2	-74.8	0	0	0	110.6	M274 E279 T323 N324 F330 H371 G399 V400	M274-F326 HydrophobicContact CB-CE1 3.85Å; M274-F326 HydrophobicContact CB-CZ 4.06Å; M274-F326 HydrophobicContact CG-CD1 4.05Å; M274-F326 HydrophobicContact CG-CE1 3.9Å; M274-F326 HydrophobicContact CG-CZ 4.34Å; M274-F326 HydrophobicContact SD-CD1 4.04Å; M274-F326 HydrophobicContact SD-CE1 4.2Å; E279-F326 HydrophobicContact CB-CE1 3.86Å; E279-F326 HydrophobicContact CB-CZ 4.28Å; E279-F326 HydrophobicContact CG-CE1 4.33Å; T323-F326 WeakPolarHBondContact O-CB 3.48Å; T323-F326 PolarHBondContact O-N 2.94Å; N324-F326 WeakPolarHBondContact O-CD2 3.25Å; N324-F326 PolarHBondContact O-N 2.71Å; F326-F330 HydrophobicContact CB-CB 3.96Å; F326-H371 PolarHBondContact O-N 3.14Å; F326-G399 VanDerWaalsContact CD2-C 3.48Å; F326-G399 WeakPolarHBondContact CD2-O 3.31Å; F326-G399 WeakPolarHBondContact CG-O 3.14Å; F326-V400 VanDerWaalsContact CE2-C 3.47Å
327	K	98.4	Very high	98.3	Very high	143 Å²	143	26 Å²	26	62%	0.622	15%	0.148	S	C	*	.	S	Bend	trans	-92.9	-33.8	-173.5	-66.5	174	-177.3	-179	0	113.6	H325 P370 H371	H325-K327 PolarHBondContact O-N 3.2Å; H325-K327 VanDerWaalsContact O-N 3.1Å; K327-P370 VanDerWaalsContact O-CB 3.25Å; K327-P370 WeakPolarHBondContact O-CB 3.37Å; K327-H371 HydrophobicContact CG-CB 4Å
328	G	97.8	Very high	98.4	Very high	69 Å²	69	25 Å²	25	71%	0.711	14%	0.138	S	C	*	.	S	Bend	trans	-126.5	-2.4	-178.4	0	0	0	0	0	114
329	N	98.1	Very high	98.3	Very high	36 Å²	36	23.3 Å²	23.3	19%	0.193	13%	0.126	C	C	.	.	S	Bend	trans	-133.3	23	-175.3	59	-27.5	0	0	0	111.3	E279 G398 G399	E279-N329 PolarHBondContact OE1-ND2 3.17Å; E279-N329 PolarHBondContact OE2-ND2 3.47Å; N329-G398 CarbonylContact O-C 3.46Å; N329-G398 WeakPolarHBondContact O-CA 3.09Å; N329-G399 PolarHBondContact O-N 3.22Å
330	F	98.4	Very high	98.1	Very high	54 Å²	54	25.1 Å²	25.1	24%	0.237	14%	0.135	C	C	.	.			trans	-72	150.7	166.9	66.9	-75.3	0	0	0	109.2	T323 F326 L368 P370	T323-F330 HydrophobicContact CG2-CB 4.07Å; F326-F330 HydrophobicContact CB-CB 3.96Å; F330-L368 HydrophobicContact CD2-CB 4.31Å; F330-L368 WeakPolarHBondContact CE2-O 3.3Å; F330-P370 VanDerWaalsContact CD1-CA 3.48Å; F330-P370 HydrophobicContact CD1-CB 3.51Å; F330-P370 HydrophobicContact CD1-CG 4.41Å; F330-P370 HydrophobicContact CE1-CB 3.43Å; F330-P370 VanDerWaalsContact CE1-CB 3.43Å; F330-P370 HydrophobicContact CE1-CG 3.88Å; F330-P370 HydrophobicContact CG-CB 4.25Å; F330-P370 HydrophobicContact CZ-CB 4.09Å; F330-P370 VanDerWaalsContact CZ-CD 3.48Å; F330-P370 HydrophobicContact CZ-CG 4.12Å
331	P	98.3	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.			trans	-68	152.4	175.7	22.9	-26.8	0	0	0	111.7	L368 I394 D397 G399 V400	P331-L368 HydrophobicContact CB-CD1 4.39Å; P331-L368 HydrophobicContact CG-CD1 3.69Å; P331-L368 WeakPolarHBondContact O-CB 3.42Å; P331-I394 HydrophobicContact CB-CB 3.69Å; P331-I394 HydrophobicContact CB-CD1 4.24Å; P331-I394 HydrophobicContact CB-CG1 4.36Å; P331-I394 HydrophobicContact CB-CG2 4.29Å; P331-I394 HydrophobicContact CG-CB 3.87Å; P331-I394 HydrophobicContact CG-CD1 4.22Å; P331-I394 HydrophobicContact CG-CG2 3.9Å; P331-D397 VanDerWaalsContact CA-O 3.23Å; P331-D397 WeakPolarHBondContact CA-O 3.45Å; P331-D397 WeakPolarHBondContact CB-O 3.49Å; P331-G399 WeakPolarHBondContact CD-O 3.27Å; P331-V400 HydrophobicContact CG-CG2 3.92Å
332	D	98.3	Very high	97.6	Very high	24 Å²	24	28.5 Å²	28.5	13%	0.128	16%	0.156	C	C	.	.	S	Bend	trans	-64.9	-43.1	-180	-171.1	76.2	0	0	0	112	L298 K367 L368 A395	L298-D332 HydrophobicContact CB-CB 4.4Å; L298-D332 WeakPolarHBondContact CB-OD2 3.44Å; L298-D332 HydrophobicContact CD1-CB 4.01Å; L298-D332 VanDerWaalsContact CD1-CG 3.46Å; L298-D332 WeakPolarHBondContact CD1-OD1 3.1Å; L298-D332 HydrophobicContact CG-CB 4.32Å; L298-D332 VanDerWaalsContact CG-OD1 3.22Å; L298-D332 WeakPolarHBondContact CG-OD1 3.45Å; L298-D332 WeakPolarHBondContact CG-OD2 3.32Å; L298-D332 PolarHBondContact N-OD2 3.45Å; D332-K367 WeakPolarHBondContact O-CD 3.34Å; D332-K367 WeakPolarHBondContact OD1-CE 3.46Å; D332-K367 IonicContact OD1-NZ 3.48Å; D332-K367 PolarHBondContact OD1-NZ 3.41Å; D332-K367 IonicContact OD2-NZ 3.32Å; D332-K367 PolarHBondContact OD2-NZ 3.1Å; D332-L368 PolarHBondContact O-N 2.78Å; D332-A395 VanDerWaalsContact CB-O 3.26Å; D332-A395 WeakPolarHBondContact CB-O 3.48Å; D332-A395 PolarHBondContact N-O 2.74Å
333	S	98.5	Very high	97.3	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.7	-179.4	60.2	0	0	0	0	111.5	Q366 I394 A395	S333-Q366 CarbonylContact C-O 3.59Å; S333-Q366 WeakPolarHBondContact CA-O 3.34Å; S333-Q366 WeakPolarHBondContact CB-O 3.39Å; S333-I394 WeakPolarHBondContact O-CA 3.33Å; S333-A395 PolarHBondContact N-O 2.88Å; S333-A395 PolarHBondContact O-N 2.91Å
334	C	98.7	Very high	97.1	Very high	3 Å²	3	39 Å²	39	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	159.1	167.2	68	0	0	0	0	111.9	P365 Q366 L368 L392 I393 I394	C334-P365 CarbonylContact O-C 3.49Å; C334-P365 WeakPolarHBondContact O-CA 3.46Å; C334-Q366 PolarHBondContact N-O 3.17Å; C334-Q366 PolarHBondContact O-N 2.79Å; C334-L368 HydrophobicContact CB-CD1 3.86Å; C334-L368 HydrophobicContact CB-CG 4.46Å; C334-L392 HydrophobicContact CB-CD1 4.07Å; C334-I393 CarbonylContact C-O 3.51Å; C334-I393 WeakPolarHBondContact CA-O 3.48Å; C334-I393 WeakPolarHBondContact CB-O 3.31Å; C334-I394 HydrophobicContact CB-CG2 4.28Å
335	R	98.4	Very high	96.9	Very high	53 Å²	53	40.5 Å²	40.5	20%	0.2	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	161.5	160.8	67.1	175.9	-177.2	-88.2	1.8	109.1	E337 L363 P365 I393	R335-E337 IonicContact NE-OE1 3.58Å; R335-E337 PolarHBondContact NE-OE1 2.84Å; R335-E337 IonicContact NH2-OE1 3.61Å; R335-L363 WeakPolarHBondContact CB-O 3.49Å; R335-P365 HydrophobicContact CB-CG 4.39Å; R335-I393 HydrophobicContact CG-CB 3.84Å; R335-I393 HydrophobicContact CG-CD1 4.2Å; R335-I393 HydrophobicContact CG-CG1 4.48Å; R335-I393 HydrophobicContact CG-CG2 4.34Å; R335-I393 PolarHBondContact N-O 2.94Å; R335-I393 PolarHBondContact O-N 3.46Å
336	I	98.8	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130	176	-60.1	169.8	0	0	0	109	I319 V321 L362 L363 V390 R391 L392 L403	I319-I336 HydrophobicContact CD1-CD1 3.88Å; I319-I336 HydrophobicContact CG2-CD1 3.59Å; V321-I336 HydrophobicContact CG2-CD1 4.34Å; I336-L362 HydrophobicContact CG2-CB 4.41Å; I336-L362 HydrophobicContact CG2-CD2 4.12Å; I336-L362 PolarHBondContact O-N 2.94Å; I336-L363 HydrophobicContact CB-CB 3.93Å; I336-L363 HydrophobicContact CD1-CB 4.46Å; I336-L363 HydrophobicContact CD1-CD2 4.02Å; I336-L363 HydrophobicContact CG1-CB 4.36Å; I336-L363 HydrophobicContact CG1-CD2 4.32Å; I336-L363 PolarHBondContact N-O 2.79Å; I336-L363 PolarHBondContact O-N 2.96Å; I336-V390 HydrophobicContact CG2-CB 4.21Å; I336-R391 WeakPolarHBondContact CA-O 3.37Å; I336-L392 HydrophobicContact CD1-CD1 4.28Å; I336-L392 HydrophobicContact CG1-CD1 3.79Å; I336-L403 HydrophobicContact CD1-CD1 3.92Å
337	E	98.1	Very high	96.5	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	152.3	170.6	-67	164	-171.2	0	0	109	R335 W359 E360 V361 V390 R391 I393	R335-E337 IonicContact NE-OE1 3.58Å; R335-E337 PolarHBondContact NE-OE1 2.84Å; R335-E337 IonicContact NH2-OE1 3.61Å; E337-W359 HydrophobicContact CB-CB 4.09Å; E337-W359 HydrophobicContact CB-CD2 4.39Å; E337-W359 HydrophobicContact CB-CE3 3.92Å; E337-E360 CarbonylContact C-O 3.6Å; E337-E360 WeakPolarHBondContact CA-O 3.36Å; E337-V361 HydrophobicContact CG-CG2 4.45Å; E337-V390 CarbonylContact O-C 3.53Å; E337-V390 VanDerWaalsContact O-CA 3.28Å; E337-V390 WeakPolarHBondContact O-CA 3.13Å; E337-R391 HydrophobicContact CB-CB 4.45Å; E337-R391 PolarHBondContact N-O 2.71Å; E337-R391 PolarHBondContact O-N 2.61Å; E337-R391 IonicContact OE2-CZ 2.65Å; E337-R391 VanDerWaalsContact OE2-CZ 3.3Å; E337-R391 IonicContact OE2-NE 2.94Å; E337-R391 PolarHBondContact OE2-NE 2.98Å; E337-R391 VanDerWaalsContact OE2-NE 3.13Å; E337-R391 IonicContact OE2-NH2 3.76Å; E337-R391 PolarHBondContact OE2-NH2 3.34Å; E337-I393 HydrophobicContact CG-CD1 4.17Å; E337-I393 VanDerWaalsContact OE1-CD1 3.26Å; E337-I393 WeakPolarHBondContact OE1-CD1 3.32Å; E337-I393 WeakPolarHBondContact OE2-CD1 3.29Å
338	A	97.8	Very high	96.3	Very high	1 Å²	1	41 Å²	41	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	156.8	-179.4	0	0	0	0	0	111.3	E360 L362 V387 H389 V390	A338-E360 PolarHBondContact N-O 3.18Å; A338-E360 PolarHBondContact O-N 2.94Å; A338-L362 HydrophobicContact CB-CB 3.93Å; A338-L362 HydrophobicContact CB-CD2 4.01Å; A338-V387 HydrophobicContact CB-CB 4.03Å; A338-V387 HydrophobicContact CB-CG1 3.68Å; A338-V387 HydrophobicContact CB-CG2 4.23Å; A338-H389 CarbonylContact C-O 3.57Å; A338-H389 VanDerWaalsContact CA-O 3.24Å; A338-H389 WeakPolarHBondContact CA-O 2.97Å; A338-H389 WeakPolarHBondContact CB-O 3.34Å; A338-V390 HydrophobicContact CB-CG1 4.01Å
339	C	95.8	Very high	96.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	167.1	172.6	62.1	0	0	0	0	111.2	L341 K358 W359 S388 H389	C339-L341 HydrophobicContact CB-CD2 4.43Å; C339-K358 WeakPolarHBondContact CB-O 3.41Å; C339-W359 HydrophobicContact CB-CE3 4.27Å; C339-S388 PolarHBondContact O-N 3.16Å; C339-H389 PolarHBondContact N-O 3.32Å; C339-H389 PolarHBondContact O-N 2.94Å
340	L	95.5	Very high	95.8	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.215	21%	0.205	C	C	.	.			trans	-111.7	120.7	169.4	178.5	62.7	0	0	0	107.6	P313 V412	P313-L340 HydrophobicContact CB-CD1 4.46Å; L340-V412 HydrophobicContact CD1-CG1 4.28Å; L340-V412 HydrophobicContact CD1-CG2 3.88Å; L340-V412 HydrophobicContact CD2-CG1 3.89Å; L340-V412 HydrophobicContact CD2-CG2 4.32Å
341	L	93.8	Very high	95.5	Very high	18 Å²	18	44.6 Å²	44.6	9%	0.094	23%	0.229	C	C	.	.			trans	-122.4	141.8	-178.7	-54.8	178.1	0	0	0	110.7	C339 E345 E346 W354 S388	C339-L341 HydrophobicContact CB-CD2 4.43Å; L341-E345 HydrophobicContact CB-CB 4.07Å; L341-E345 HydrophobicContact CD2-CB 4.06Å; L341-E346 HydrophobicContact CD1-CB 4.49Å; L341-W354 HydrophobicContact CD1-CH2 4.42Å; L341-W354 HydrophobicContact CD1-CZ3 3.87Å; L341-S388 PolarHBondContact N-OG 2.78Å; L341-S388 VanDerWaalsContact N-OG 3.08Å
342	T	93.3	Very high	95.2	Very high	63 Å²	63	47.1 Å²	47.1	39%	0.387	25%	0.245	S	C	.	.			trans	-72.3	162.3	159.9	55.1	0	0	0	0	111.1	E344 E345 E346	T342-E344 PolarHBondContact O-N 2.79Å; T342-E345 PolarHBondContact N-OE2 2.75Å; T342-E345 PolarHBondContact O-N 2.97Å; T342-E345 VanDerWaalsContact O-N 3.17Å; T342-E345 WeakPolarHBondContact OG1-CB 3.33Å; T342-E345 VanDerWaalsContact OG1-CG 3.22Å; T342-E345 WeakPolarHBondContact OG1-CG 3.37Å; T342-E345 PolarHBondContact OG1-N 2.99Å; T342-E345 PolarHBondContact OG1-OE2 2.89Å; T342-E346 PolarHBondContact O-N 3.01Å
343	P	92.4	Very high	94.8	Very high	79 Å²	79	55.3 Å²	55.3	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-54.6	-38.1	174.8	-27	36.4	0	0	0	113.7	E346 A347	P343-E346 PolarHBondContact O-N 2.93Å; P343-A347 WeakPolarHBondContact O-CB 3.43Å; P343-A347 PolarHBondContact O-N 3.46Å
344	E	93.5	Very high	94.6	Very high	140 Å²	140	55.1 Å²	55.1	65%	0.654	27%	0.272	S	S	*	.	H	α-helix	trans	-68.9	-41.1	178.4	-62.2	70.7	-153.5	0	0	111.4	T342 A347 R348	T342-E344 PolarHBondContact O-N 2.79Å; E344-A347 PolarHBondContact O-N 3.36Å; E344-R348 PolarHBondContact O-N 3.05Å; E344-R348 VanDerWaalsContact O-N 3.08Å
345	E	95.1	Very high	93.9	Very high	39 Å²	39	61.3 Å²	61.3	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-66.8	-38.3	175.2	-74.2	172.9	131.8	0	0	112.2	L341 T342 R348 C349 K358	L341-E345 HydrophobicContact CB-CB 4.07Å; L341-E345 HydrophobicContact CD2-CB 4.06Å; T342-E345 PolarHBondContact N-OE2 2.75Å; T342-E345 PolarHBondContact O-N 2.97Å; T342-E345 VanDerWaalsContact O-N 3.17Å; T342-E345 WeakPolarHBondContact OG1-CB 3.33Å; T342-E345 VanDerWaalsContact OG1-CG 3.22Å; T342-E345 WeakPolarHBondContact OG1-CG 3.37Å; T342-E345 PolarHBondContact OG1-N 2.99Å; T342-E345 PolarHBondContact OG1-OE2 2.89Å; E345-R348 PolarHBondContact O-N 2.93Å; E345-C349 PolarHBondContact O-N 2.9Å; E345-C349 PolarHBondContact O-SG 3.42Å; E345-K358 IonicContact OE1-NZ 3.02Å; E345-K358 PolarHBondContact OE1-NZ 3.48Å
346	E	94.9	Very high	93	Very high	36 Å²	36	61.1 Å²	61.1	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-49.4	172.9	-178.9	179.5	144.7	0	0	110.7	L252 R309 L341 T342 P343 R348 C349 V350 W354 H389	L252-E346 HydrophobicContact CD1-CG 4.04Å; L252-E346 WeakPolarHBondContact CD1-OE1 3.28Å; R309-E346 WeakPolarHBondContact CD-OE2 3.37Å; R309-E346 IonicContact NE-OE1 3.85Å; R309-E346 PolarHBondContact NE-OE1 2.84Å; R309-E346 IonicContact NE-OE2 3.9Å; R309-E346 PolarHBondContact NE-OE2 2.85Å; L341-E346 HydrophobicContact CD1-CB 4.49Å; T342-E346 PolarHBondContact O-N 3.01Å; P343-E346 PolarHBondContact O-N 2.93Å; E346-R348 VanDerWaalsContact C-N 3.29Å; E346-R348 PolarHBondContact O-N 2.9Å; E346-C349 WeakPolarHBondContact O-CA 3.3Å; E346-C349 WeakPolarHBondContact O-CB 3.32Å; E346-C349 PolarHBondContact O-N 2.65Å; E346-V350 WeakPolarHBondContact O-CG2 3.29Å; E346-V350 PolarHBondContact O-N 2.91Å; E346-W354 HydrophobicContact CG-CH2 4.17Å; E346-H389 IonicContact OE2-CE1 2.66Å; E346-H389 PolarHBondContact OE2-CE1 2.89Å; E346-H389 VanDerWaalsContact OE2-CE1 3.26Å; E346-H389 IonicContact OE2-NE2 3.3Å; E346-H389 PolarHBondContact OE2-NE2 3.44Å
347	A	93.6	Very high	91.9	Very high	49 Å²	49	61.9 Å²	61.9	41%	0.405	32%	0.32	S	S	.	.	H	α-helix	trans	-57.2	-41.5	177.9	0	0	0	0	0	112.2	P343 E344 V350 Q351	P343-A347 WeakPolarHBondContact O-CB 3.43Å; P343-A347 PolarHBondContact O-N 3.46Å; E344-A347 PolarHBondContact O-N 3.36Å; A347-V350 PolarHBondContact O-N 2.87Å; A347-Q351 WeakPolarHBondContact O-CG 3.38Å; A347-Q351 PolarHBondContact O-N 2.96Å
348	R	93.6	Very high	91.4	Very high	125 Å²	125	66.9 Å²	66.9	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-65.7	-39.5	174.1	-174.7	178.2	63.5	-173.2	-5.8	112.4	E344 E345 E346 V350 Q351 T352	E344-R348 PolarHBondContact O-N 3.05Å; E344-R348 VanDerWaalsContact O-N 3.08Å; E345-R348 PolarHBondContact O-N 2.93Å; E346-R348 VanDerWaalsContact C-N 3.29Å; E346-R348 PolarHBondContact O-N 2.9Å; R348-V350 VanDerWaalsContact C-N 3.33Å; R348-Q351 PolarHBondContact O-N 2.7Å; R348-T352 WeakPolarHBondContact O-CG2 3.43Å; R348-T352 PolarHBondContact O-N 3.01Å; R348-T352 PolarHBondContact O-OG1 2.91Å
349	C	94.1	Very high	91.3	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.007	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-42.7	175	-69.3	0	0	0	0	111	E345 E346 Q351 T352 R353 W354	E345-C349 PolarHBondContact O-N 2.9Å; E345-C349 PolarHBondContact O-SG 3.42Å; E346-C349 WeakPolarHBondContact O-CA 3.3Å; E346-C349 WeakPolarHBondContact O-CB 3.32Å; E346-C349 PolarHBondContact O-N 2.65Å; C349-Q351 PolarHBondContact O-N 2.89Å; C349-T352 WeakPolarHBondContact CA-OG1 3.35Å; C349-T352 CarbonylContact O-C 3.58Å; C349-T352 PolarHBondContact O-N 3.15Å; C349-T352 PolarHBondContact O-OG1 3.1Å; C349-T352 VanDerWaalsContact O-OG1 3.11Å; C349-R353 PolarHBondContact O-N 2.99Å; C349-R353 VanDerWaalsContact O-N 3.1Å; C349-W354 HydrophobicContact CB-CD2 3.99Å; C349-W354 HydrophobicContact CB-CE3 3.46Å; C349-W354 VanDerWaalsContact CB-CE3 3.46Å; C349-W354 HydrophobicContact CB-CH2 4.09Å; C349-W354 HydrophobicContact CB-CZ2 4.49Å; C349-W354 HydrophobicContact CB-CZ3 3.55Å; C349-W354 PolarHBondContact O-N 2.63Å
350	V	92.1	Very high	91.3	Very high	73 Å²	73	72.4 Å²	72.4	44%	0.442	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-47.8	175.1	173.4	0	0	0	0	111.2	E346 A347 R348 T352 R353 W354	E346-V350 WeakPolarHBondContact O-CG2 3.29Å; E346-V350 PolarHBondContact O-N 2.91Å; A347-V350 PolarHBondContact O-N 2.87Å; R348-V350 VanDerWaalsContact C-N 3.33Å; V350-T352 VanDerWaalsContact C-N 3.25Å; V350-T352 PolarHBondContact O-N 2.78Å; V350-R353 PolarHBondContact O-N 2.77Å; V350-W354 HydrophobicContact CG2-CZ2 3.84Å
351	Q	91.4	Very high	91.4	Very high	160 Å²	160	73.5 Å²	73.5	75%	0.748	37%	0.373	S	S	*	.	H	α-helix	trans	-59.6	-35.4	178	-71	171.5	9.3	0	0	113	A347 R348 C349 R353	A347-Q351 WeakPolarHBondContact O-CG 3.38Å; A347-Q351 PolarHBondContact O-N 2.96Å; R348-Q351 PolarHBondContact O-N 2.7Å; C349-Q351 PolarHBondContact O-N 2.89Å; Q351-R353 VanDerWaalsContact C-N 3.31Å
352	T	91.3	Very high	91.6	Very high	54 Å²	54	72.7 Å²	72.7	33%	0.331	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12.8	179.3	57.3	0	0	0	0	113.3	R348 C349 V350 W354 N355 S356	R348-T352 WeakPolarHBondContact O-CG2 3.43Å; R348-T352 PolarHBondContact O-N 3.01Å; R348-T352 PolarHBondContact O-OG1 2.91Å; C349-T352 WeakPolarHBondContact CA-OG1 3.35Å; C349-T352 CarbonylContact O-C 3.58Å; C349-T352 PolarHBondContact O-N 3.15Å; C349-T352 PolarHBondContact O-OG1 3.1Å; C349-T352 VanDerWaalsContact O-OG1 3.11Å; V350-T352 VanDerWaalsContact C-N 3.25Å; V350-T352 PolarHBondContact O-N 2.78Å; T352-W354 PolarHBondContact O-N 3.35Å; T352-N355 WeakPolarHBondContact O-CB 3.38Å; T352-N355 PolarHBondContact O-N 3.1Å; T352-N355 VanDerWaalsContact O-N 3.15Å; T352-S356 WeakPolarHBondContact OG1-CB 3.49Å; T352-S356 PolarHBondContact OG1-OG 2.78Å
353	R	91.3	Very high	91.9	Very high	196 Å²	196	69.7 Å²	69.7	74%	0.74	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	41.2	-177.8	-56.2	-175.7	-178.3	-175.1	0.1	112.8	C349 V350 Q351 N355	C349-R353 PolarHBondContact O-N 2.99Å; C349-R353 VanDerWaalsContact O-N 3.1Å; V350-R353 PolarHBondContact O-N 2.77Å; Q351-R353 VanDerWaalsContact C-N 3.31Å; R353-N355 PolarHBondContact O-N 3.06Å
354	W	93.3	Very high	92.1	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.015	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	17.1	176.9	-60.1	96	0	0	0	115.8	L252 W305 V307 L341 E346 C349 V350 T352 W359 H389 R391	L252-W354 HydrophobicContact CB-CH2 4.29Å; L252-W354 HydrophobicContact CB-CZ2 3.46Å; L252-W354 VanDerWaalsContact CB-CZ2 3.46Å; L252-W354 HydrophobicContact CD1-CH2 3.58Å; L252-W354 HydrophobicContact CD1-CZ2 3.54Å; L252-W354 HydrophobicContact CG-CZ2 4.17Å; L252-W354 PolarHBondContact O-NE1 2.9Å; W305-W354 HydrophobicContact CH2-CB 4.02Å; W305-W354 AromaticContact CH2-CD1 3.9Å; W305-W354 HydrophobicContact CH2-CG 4.28Å; W305-W354 HydrophobicContact CZ3-CB 4.11Å; W305-W354 AromaticContact CZ3-CD1 3.93Å; W305-W354 HydrophobicContact CZ3-CG 4.19Å; V307-W354 HydrophobicContact CB-CD2 4.08Å; V307-W354 HydrophobicContact CB-CE3 4.43Å; V307-W354 HydrophobicContact CB-CG 4.37Å; V307-W354 HydrophobicContact CG1-CD2 3.77Å; V307-W354 HydrophobicContact CG1-CE3 3.72Å; V307-W354 HydrophobicContact CG1-CH2 3.68Å; V307-W354 HydrophobicContact CG1-CZ2 3.77Å; V307-W354 HydrophobicContact CG1-CZ3 3.65Å; V307-W354 HydrophobicContact CG2-CB 4.13Å; V307-W354 HydrophobicContact CG2-CD2 3.88Å; V307-W354 HydrophobicContact CG2-CE3 4.15Å; V307-W354 HydrophobicContact CG2-CG 3.87Å; L341-W354 HydrophobicContact CD1-CH2 4.42Å; L341-W354 HydrophobicContact CD1-CZ3 3.87Å; E346-W354 HydrophobicContact CG-CH2 4.17Å; C349-W354 HydrophobicContact CB-CD2 3.99Å; C349-W354 HydrophobicContact CB-CE3 3.46Å; C349-W354 VanDerWaalsContact CB-CE3 3.46Å; C349-W354 HydrophobicContact CB-CH2 4.09Å; C349-W354 HydrophobicContact CB-CZ2 4.49Å; C349-W354 HydrophobicContact CB-CZ3 3.55Å; C349-W354 PolarHBondContact O-N 2.63Å; V350-W354 HydrophobicContact CG2-CZ2 3.84Å; T352-W354 PolarHBondContact O-N 3.35Å; W354-W359 HydrophobicContact CE3-CH2 4.43Å; W354-W359 AromaticContact CE3-CZ2 3.64Å; W354-W359 HydrophobicContact CE3-CZ2 3.64Å; W354-W359 HydrophobicContact CZ3-CH2 4.46Å; W354-W359 HydrophobicContact CZ3-CZ2 4.04Å; W354-H389 AromaticContact CH2-CD2 3.94Å; W354-R391 PolarHBondContact O-NH1 3.22Å
355	N	84.9	Confident	92.3	Very high	133 Å²	133	64.9 Å²	64.9	71%	0.711	33%	0.332	S	S	*	.	S	Bend	trans	-81.7	-16.5	175.8	-68.7	-25.5	0	0	0	114.1	T352 R353	T352-N355 WeakPolarHBondContact O-CB 3.38Å; T352-N355 PolarHBondContact O-N 3.1Å; T352-N355 VanDerWaalsContact O-N 3.15Å; R353-N355 PolarHBondContact O-N 3.06Å
356	S	78.4	Confident	92.5	Very high	49 Å²	49	65.4 Å²	65.4	34%	0.343	33%	0.334	S	S	.	.	S	Bend	trans	-105.8	7	-174	68.8	0	0	0	0	115.4	T352	T352-S356 WeakPolarHBondContact OG1-CB 3.49Å; T352-S356 PolarHBondContact OG1-OG 2.78Å
357	G	76.6	Confident	92.6	Very high	17 Å²	17	67.3 Å²	67.3	18%	0.175	34%	0.342	C	S	.	.			trans	-70.8	144.9	-176.7	0	0	0	0	0	113.4	W359	G357-W359 VanDerWaalsContact O-CD1 3.27Å; G357-W359 PolarHBondContact O-N 3.4Å
358	K	88	Confident	92.9	Very high	125 Å²	125	65.2 Å²	65.2	54%	0.543	32%	0.324	S	S	.	.			trans	-76.7	62	171.5	-63.9	172.7	-175.6	156.2	0	110.4	C339 E345	C339-K358 WeakPolarHBondContact CB-O 3.41Å; E345-K358 IonicContact OE1-NZ 3.02Å; E345-K358 PolarHBondContact OE1-NZ 3.48Å
359	W	94.6	Very high	93.1	Very high	39 Å²	39	66 Å²	66	15%	0.148	33%	0.327	C	S	.	.			trans	-74.4	125.5	-175	-68.4	108.6	0	0	0	111.4	V307 E337 C339 W354 G357 H389 R391	V307-W359 HydrophobicContact CG1-CH2 3.96Å; V307-W359 HydrophobicContact CG1-CZ2 4.19Å; V307-W359 HydrophobicContact CG2-CH2 4.15Å; V307-W359 HydrophobicContact CG2-CZ2 3.89Å; E337-W359 HydrophobicContact CB-CB 4.09Å; E337-W359 HydrophobicContact CB-CD2 4.39Å; E337-W359 HydrophobicContact CB-CE3 3.92Å; C339-W359 HydrophobicContact CB-CE3 4.27Å; W354-W359 HydrophobicContact CE3-CH2 4.43Å; W354-W359 AromaticContact CE3-CZ2 3.64Å; W354-W359 HydrophobicContact CE3-CZ2 3.64Å; W354-W359 HydrophobicContact CZ3-CH2 4.46Å; W354-W359 HydrophobicContact CZ3-CZ2 4.04Å; G357-W359 VanDerWaalsContact O-CD1 3.27Å; G357-W359 PolarHBondContact O-N 3.4Å; W359-H389 HydrophobicContact CH2-CB 4.13Å; W359-H389 HydrophobicContact CZ3-CB 4.35Å; W359-R391 VanDerWaalsContact CD1-CZ 3.45Å; W359-R391 HydrophobicContact CD2-CB 4.33Å; W359-R391 HydrophobicContact CE3-CB 4.01Å; W359-R391 HydrophobicContact CH2-CB 3.64Å; W359-R391 HydrophobicContact CZ2-CB 3.95Å; W359-R391 HydrophobicContact CZ3-CB 3.67Å
360	E	96.1	Very high	93.3	Very high	80 Å²	80	69 Å²	69	37%	0.374	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.3	173.7	-65.4	168.2	-149.6	0	0	108.8	E337 A338 L362 R385	E337-E360 CarbonylContact C-O 3.6Å; E337-E360 WeakPolarHBondContact CA-O 3.36Å; A338-E360 PolarHBondContact N-O 3.18Å; A338-E360 PolarHBondContact O-N 2.94Å; E360-L362 PolarHBondContact O-N 2.78Å; E360-R385 IonicContact OE1-CZ 3.57Å; E360-R385 IonicContact OE1-NE 3.36Å; E360-R385 PolarHBondContact OE1-NE 2.75Å; E360-R385 IonicContact OE1-NH2 2.86Å; E360-R385 PolarHBondContact OE1-NH2 3.47Å; E360-R385 IonicContact OE2-NE 3.96Å
361	V	97.6	Very high	93.6	Very high	64 Å²	64	69.3 Å²	69.3	39%	0.388	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	116.1	178.9	177.4	0	0	0	0	109.5	E337 P364 T382	E337-V361 HydrophobicContact CG-CG2 4.45Å; V361-P364 HydrophobicContact CG1-CB 4.41Å; V361-T382 WeakPolarHBondContact O-CB 3.33Å; V361-T382 PolarHBondContact O-OG1 2.76Å
362	L	98.2	Very high	94	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-46	174.9	172.5	63.3	0	0	0	111.3	I316 I319 I336 A338 E360 L381 T382 T384 V390	I316-L362 HydrophobicContact CB-CD1 4.39Å; I316-L362 HydrophobicContact CB-CD2 4.31Å; I316-L362 HydrophobicContact CG1-CD2 3.99Å; I316-L362 HydrophobicContact CG2-CD2 4.4Å; I319-L362 HydrophobicContact CD1-CD2 3.88Å; I319-L362 HydrophobicContact CD1-CG 4.06Å; I336-L362 HydrophobicContact CG2-CB 4.41Å; I336-L362 HydrophobicContact CG2-CD2 4.12Å; I336-L362 PolarHBondContact O-N 2.94Å; A338-L362 HydrophobicContact CB-CB 3.93Å; A338-L362 HydrophobicContact CB-CD2 4.01Å; E360-L362 PolarHBondContact O-N 2.78Å; L362-L381 HydrophobicContact CD1-CB 4.46Å; L362-L381 HydrophobicContact CD1-CD1 4.4Å; L362-L381 WeakPolarHBondContact O-CA 3.32Å; L362-T382 PolarHBondContact O-N 2.95Å; L362-T384 HydrophobicContact CB-CG2 4.46Å; L362-T384 HydrophobicContact CD1-CG2 3.63Å; L362-V390 HydrophobicContact CD2-CG1 4.48Å
363	L	98.6	Very high	94.3	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.1	174.7	-178.5	70.5	0	0	0	108.1	I319 R335 I336 Q366 Y376 D380 L381	I319-L363 HydrophobicContact CD1-CB 4.15Å; R335-L363 WeakPolarHBondContact CB-O 3.49Å; I336-L363 HydrophobicContact CB-CB 3.93Å; I336-L363 HydrophobicContact CD1-CB 4.46Å; I336-L363 HydrophobicContact CD1-CD2 4.02Å; I336-L363 HydrophobicContact CG1-CB 4.36Å; I336-L363 HydrophobicContact CG1-CD2 4.32Å; I336-L363 PolarHBondContact N-O 2.79Å; I336-L363 PolarHBondContact O-N 2.96Å; L363-Q366 HydrophobicContact CD1-CG 4Å; L363-Q366 HydrophobicContact CD2-CG 4.02Å; L363-Q366 HydrophobicContact CG-CG 3.93Å; L363-Y376 HydrophobicContact CD1-CD1 4.06Å; L363-Y376 HydrophobicContact CD1-CD2 4.16Å; L363-Y376 HydrophobicContact CD1-CG 3.76Å; L363-Y376 HydrophobicContact CD2-CD2 3.63Å; L363-Y376 HydrophobicContact CD2-CE2 3.76Å; L363-Y376 HydrophobicContact CD2-CG 4.11Å; L363-D380 HydrophobicContact CD1-CB 4.49Å; L363-L381 HydrophobicContact CB-CD2 4.35Å; L363-L381 HydrophobicContact CD1-CD2 3.86Å
364	P	97.6	Very high	94.7	Very high	49 Å²	49	58 Å²	58	32%	0.318	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	165.9	175.9	28	-34.1	0	0	0	111.1	V361 Q366 D380	V361-P364 HydrophobicContact CG1-CB 4.41Å; P364-Q366 WeakPolarHBondContact O-CG 3.19Å; P364-Q366 PolarHBondContact O-N 2.95Å; P364-Q366 PolarHBondContact O-NE2 2.81Å; P364-Q366 VanDerWaalsContact O-NE2 3.14Å; P364-D380 WeakPolarHBondContact CD-O 3.37Å
365	P	97.6	Very high	94.9	Very high	70 Å²	70	63 Å²	63	46%	0.455	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	125.6	-178.3	-28.1	35.7	0	0	0	113.7	I297 C334 R335	I297-P365 HydrophobicContact CD1-CB 4.04Å; C334-P365 CarbonylContact O-C 3.49Å; C334-P365 WeakPolarHBondContact O-CA 3.46Å; R335-P365 HydrophobicContact CB-CG 4.39Å
366	Q	98.1	Very high	95.6	Very high	49 Å²	49	57.6 Å²	57.6	23%	0.229	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135	178.9	-60.2	-56.9	-50.2	0	0	110.4	S333 C334 L363 P364 Y376	S333-Q366 CarbonylContact C-O 3.59Å; S333-Q366 WeakPolarHBondContact CA-O 3.34Å; S333-Q366 WeakPolarHBondContact CB-O 3.39Å; C334-Q366 PolarHBondContact N-O 3.17Å; C334-Q366 PolarHBondContact O-N 2.79Å; L363-Q366 HydrophobicContact CD1-CG 4Å; L363-Q366 HydrophobicContact CD2-CG 4.02Å; L363-Q366 HydrophobicContact CG-CG 3.93Å; P364-Q366 WeakPolarHBondContact O-CG 3.19Å; P364-Q366 PolarHBondContact O-N 2.95Å; P364-Q366 PolarHBondContact O-NE2 2.81Å; P364-Q366 VanDerWaalsContact O-NE2 3.14Å; Q366-Y376 HydrophobicContact CB-CE1 3.9Å; Q366-Y376 WeakPolarHBondContact CB-OH 3.29Å; Q366-Y376 HydrophobicContact CG-CD1 4.14Å; Q366-Y376 HydrophobicContact CG-CE1 3.47Å; Q366-Y376 VanDerWaalsContact CG-CE1 3.47Å; Q366-Y376 HydrophobicContact CG-CE2 4.43Å
367	K	98.3	Very high	96.5	Very high	77 Å²	77	58 Å²	58	34%	0.335	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.4	171.4	-171.5	74.3	-171.4	-170	0	110.2	G296 I297 D332	G296-K367 WeakPolarHBondContact O-CD 3.39Å; G296-K367 WeakPolarHBondContact O-CE 3.38Å; G296-K367 PolarHBondContact O-NZ 2.9Å; I297-K367 HydrophobicContact CG1-CB 4.08Å; I297-K367 HydrophobicContact CG1-CD 4.07Å; D332-K367 WeakPolarHBondContact O-CD 3.34Å; D332-K367 WeakPolarHBondContact OD1-CE 3.46Å; D332-K367 IonicContact OD1-NZ 3.48Å; D332-K367 PolarHBondContact OD1-NZ 3.41Å; D332-K367 IonicContact OD2-NZ 3.32Å; D332-K367 PolarHBondContact OD2-NZ 3.1Å
368	L	98.6	Very high	97.3	Very high	4 Å²	4	65 Å²	65	2%	0.021	31%	0.311	C	S	.	.			trans	-104.5	160.6	177.4	-65.1	176.1	0	0	0	112.2	V321 T323 F330 P331 D332 C334 H374	V321-L368 HydrophobicContact CG1-CD2 4.27Å; T323-L368 HydrophobicContact CG2-CD1 4.39Å; F330-L368 HydrophobicContact CD2-CB 4.31Å; F330-L368 WeakPolarHBondContact CE2-O 3.3Å; P331-L368 HydrophobicContact CB-CD1 4.39Å; P331-L368 HydrophobicContact CG-CD1 3.69Å; P331-L368 WeakPolarHBondContact O-CB 3.42Å; D332-L368 PolarHBondContact O-N 2.78Å; C334-L368 HydrophobicContact CB-CD1 3.86Å; C334-L368 HydrophobicContact CB-CG 4.46Å; L368-H374 HydrophobicContact CD2-CB 4.3Å
369	R	98.6	Very high	97.7	Very high	142 Å²	142	63.5 Å²	63.5	54%	0.536	32%	0.323	S	S	.	.			trans	-121	152	178.9	-68.8	-176.6	-77.6	-164.1	-6.8	110.2	T323 H372 H374	T323-R369 PolarHBondContact OG1-O 2.98Å; R369-H372 HydrophobicContact CB-CB 3.78Å; R369-H372 VanDerWaalsContact CZ-NE2 3.28Å; R369-H372 PolarHBondContact NE-NE2 2.77Å; R369-H372 PolarHBondContact NH2-CE1 3.21Å; R369-H372 PolarHBondContact NH2-NE2 3.46Å; R369-H374 PolarHBondContact N-NE2 3.14Å; R369-H374 PolarHBondContact O-CE1 2.92Å
370	P	98.6	Very high	97.8	Very high	64 Å²	64	65 Å²	65	42%	0.416	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	139.7	175.5	24.3	-30.1	0	0	0	110.9	K327 F330 H372	K327-P370 VanDerWaalsContact O-CB 3.25Å; K327-P370 WeakPolarHBondContact O-CB 3.37Å; F330-P370 VanDerWaalsContact CD1-CA 3.48Å; F330-P370 HydrophobicContact CD1-CB 3.51Å; F330-P370 HydrophobicContact CD1-CG 4.41Å; F330-P370 HydrophobicContact CE1-CB 3.43Å; F330-P370 VanDerWaalsContact CE1-CB 3.43Å; F330-P370 HydrophobicContact CE1-CG 3.88Å; F330-P370 HydrophobicContact CG-CB 4.25Å; F330-P370 HydrophobicContact CZ-CB 4.09Å; F330-P370 VanDerWaalsContact CZ-CD 3.48Å; F330-P370 HydrophobicContact CZ-CG 4.12Å; P370-H372 VanDerWaalsContact C-N 3.33Å; P370-H372 PolarHBondContact O-N 3.23Å
371	H	98.4	Very high	97.9	Very high	80 Å²	80	62 Å²	62	37%	0.37	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	49.3	170.1	-165.9	77.4	0	0	0	113.4	T323 N324 H325 F326 K327	T323-H371 WeakPolarHBondContact O-CA 3.31Å; T323-H371 PolarHBondContact O-N 2.86Å; T323-H371 PolarHBondContact OG1-N 2.94Å; N324-H371 PolarHBondContact OD1-CE1 3.33Å; N324-H371 PolarHBondContact OD1-ND1 3.23Å; H325-H371 PolarHBondContact N-ND1 2.73Å; F326-H371 PolarHBondContact O-N 3.14Å; K327-H371 HydrophobicContact CG-CB 4Å
372	H	98.6	Very high	97.7	Very high	60 Å²	60	61.9 Å²	61.9	28%	0.278	32%	0.319	S	S	.	.			trans	-140.1	145.7	-166.3	-168.1	82.6	0	0	0	112.9	D322 T323 R369 P370 H374	D322-H372 WeakPolarHBondContact CA-O 3.41Å; T323-H372 PolarHBondContact N-O 2.9Å; T323-H372 PolarHBondContact OG1-N 3.33Å; T323-H372 PolarHBondContact OG1-O 3.16Å; R369-H372 HydrophobicContact CB-CB 3.78Å; R369-H372 VanDerWaalsContact CZ-NE2 3.28Å; R369-H372 PolarHBondContact NE-NE2 2.77Å; R369-H372 PolarHBondContact NH2-CE1 3.21Å; R369-H372 PolarHBondContact NH2-NE2 3.46Å; P370-H372 VanDerWaalsContact C-N 3.33Å; P370-H372 PolarHBondContact O-N 3.23Å; H372-H374 AromaticContact CD2-CD2 3.69Å; H372-H374 AromaticContact CD2-CE1 3.79Å; H372-H374 AromaticContact CD2-CG 3.97Å; H372-H374 AromaticContact CD2-NE2 3.54Å; H372-H374 PolarHBondContact O-CE1 3.26Å; H372-H374 VanDerWaalsContact O-CE1 3.31Å; H372-H374 PolarHBondContact O-ND1 2.96Å
373	R	98.7	Very high	96.9	Very high	106 Å²	106	67.8 Å²	67.8	40%	0.4	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.2	172.2	-67	178.3	72.2	-160	1.9	109.8	E320 D322 H375	E320-R373 VanDerWaalsContact CD-NH2 3.27Å; E320-R373 IonicContact OE1-CZ 3.39Å; E320-R373 IonicContact OE1-NE 3.13Å; E320-R373 PolarHBondContact OE1-NE 2.63Å; E320-R373 IonicContact OE1-NH2 3.19Å; E320-R373 PolarHBondContact OE1-NH2 2.87Å; E320-R373 IonicContact OE2-CZ 3.6Å; E320-R373 IonicContact OE2-NE 3.91Å; E320-R373 IonicContact OE2-NH2 2.71Å; E320-R373 PolarHBondContact OE2-NH2 2.87Å; D322-R373 HydrophobicContact CB-CG 4.29Å; R373-H375 PolarHBondContact NH2-CE1 3.17Å
374	H	98.8	Very high	95.7	Very high	7 Å²	7	69.1 Å²	69.1	3%	0.032	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.8	178.3	-49.5	76.7	0	0	0	108.1	E320 V321 L368 R369 H372 Y376	E320-H374 VanDerWaalsContact CA-O 3.26Å; E320-H374 WeakPolarHBondContact CA-O 3.4Å; V321-H374 HydrophobicContact CB-CB 4.45Å; V321-H374 PolarHBondContact N-O 3.3Å; V321-H374 WeakPolarHBondContact O-CB 3.05Å; V321-H374 PolarHBondContact O-N 3.35Å; V321-H374 PolarHBondContact O-ND1 3.08Å; L368-H374 HydrophobicContact CD2-CB 4.3Å; R369-H374 PolarHBondContact N-NE2 3.14Å; R369-H374 PolarHBondContact O-CE1 2.92Å; H372-H374 AromaticContact CD2-CD2 3.69Å; H372-H374 AromaticContact CD2-CE1 3.79Å; H372-H374 AromaticContact CD2-CG 3.97Å; H372-H374 AromaticContact CD2-NE2 3.54Å; H372-H374 PolarHBondContact O-CE1 3.26Å; H372-H374 VanDerWaalsContact O-CE1 3.31Å; H372-H374 PolarHBondContact O-ND1 2.96Å; H374-Y376 HydrophobicContact CB-CE2 3.67Å; H374-Y376 WeakPolarHBondContact CB-OH 3.3Å
375	H	98.7	Very high	95.3	Very high	109 Å²	109	72.2 Å²	72.2	51%	0.505	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	179.7	-67.9	-80.3	0	0	0	109.4	E320 R373	E320-H375 IonicContact OE2-CE1 3.2Å; E320-H375 PolarHBondContact OE2-CE1 2.86Å; E320-H375 IonicContact OE2-ND1 3.84Å; R373-H375 PolarHBondContact NH2-CE1 3.17Å
376	Y	98.5	Very high	95.2	Very high	19 Å²	19	70.7 Å²	70.7	8%	0.075	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.5	178.1	-52.9	-73.3	0	0	0	108.7	S318 I319 V321 L363 Q366 H374 D380	S318-Y376 CarbonylContact C-O 3.49Å; S318-Y376 VanDerWaalsContact CA-O 3.22Å; S318-Y376 WeakPolarHBondContact CA-O 3.49Å; S318-Y376 VanDerWaalsContact CB-O 3.23Å; S318-Y376 WeakPolarHBondContact CB-O 3.19Å; I319-Y376 HydrophobicContact CB-CD2 4.33Å; I319-Y376 HydrophobicContact CG2-CD2 4.25Å; I319-Y376 PolarHBondContact N-O 3.26Å; I319-Y376 PolarHBondContact O-N 3.05Å; V321-Y376 HydrophobicContact CG2-CE2 4.29Å; L363-Y376 HydrophobicContact CD1-CD1 4.06Å; L363-Y376 HydrophobicContact CD1-CD2 4.16Å; L363-Y376 HydrophobicContact CD1-CG 3.76Å; L363-Y376 HydrophobicContact CD2-CD2 3.63Å; L363-Y376 HydrophobicContact CD2-CE2 3.76Å; L363-Y376 HydrophobicContact CD2-CG 4.11Å; Q366-Y376 HydrophobicContact CB-CE1 3.9Å; Q366-Y376 WeakPolarHBondContact CB-OH 3.29Å; Q366-Y376 HydrophobicContact CG-CD1 4.14Å; Q366-Y376 HydrophobicContact CG-CE1 3.47Å; Q366-Y376 VanDerWaalsContact CG-CE1 3.47Å; Q366-Y376 HydrophobicContact CG-CE2 4.43Å; H374-Y376 HydrophobicContact CB-CE2 3.67Å; H374-Y376 WeakPolarHBondContact CB-OH 3.3Å; Y376-D380 HydrophobicContact CD1-CB 4.45Å
377	S	97.3	Very high	95.1	Very high	58 Å²	58	68.5 Å²	68.5	41%	0.406	35%	0.351	S	S	.	.			trans	-83.3	173.3	178.8	74.9	0	0	0	0	110.8	A379 D380 L381	S377-A379 PolarHBondContact O-N 2.84Å; S377-A379 VanDerWaalsContact O-N 3.1Å; S377-A379 PolarHBondContact OG-N 3.01Å; S377-D380 WeakPolarHBondContact CA-OD2 3.33Å; S377-D380 WeakPolarHBondContact CB-OD2 3.08Å; S377-D380 PolarHBondContact N-OD2 3.12Å; S377-D380 WeakPolarHBondContact O-CB 3.33Å; S377-D380 PolarHBondContact O-N 3.1Å; S377-D380 PolarHBondContact OG-OD2 3Å; S377-L381 WeakPolarHBondContact O-CG 3.48Å
378	K	94.9	Very high	95	Very high	162 Å²	162	65.2 Å²	65.2	70%	0.704	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-54.7	-29.5	174.9	-169.5	176.8	179.6	-175.6	0	113.7	G317 D380 L381	G317-K378 WeakPolarHBondContact O-CA 3.41Å; G317-K378 WeakPolarHBondContact O-CB 3.48Å; G317-K378 PolarHBondContact O-N 2.8Å; K378-D380 PolarHBondContact O-N 2.67Å; K378-L381 PolarHBondContact O-N 2.81Å
379	A	95.8	Very high	95	Very high	95 Å²	95	65.1 Å²	65.1	79%	0.785	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-70.4	-23.2	179.2	0	0	0	0	0	112.9	S377 L381	S377-A379 PolarHBondContact O-N 2.84Å; S377-A379 VanDerWaalsContact O-N 3.1Å; S377-A379 PolarHBondContact OG-N 3.01Å; A379-L381 VanDerWaalsContact C-N 3.34Å
380	D	96.6	Very high	95	Very high	69 Å²	69	58.3 Å²	58.3	37%	0.369	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-86.7	-10.1	178.8	-51.6	-65.4	0	0	0	112.1	L363 P364 Y376 S377 K378	L363-D380 HydrophobicContact CD1-CB 4.49Å; P364-D380 WeakPolarHBondContact CD-O 3.37Å; Y376-D380 HydrophobicContact CD1-CB 4.45Å; S377-D380 WeakPolarHBondContact CA-OD2 3.33Å; S377-D380 WeakPolarHBondContact CB-OD2 3.08Å; S377-D380 PolarHBondContact N-OD2 3.12Å; S377-D380 WeakPolarHBondContact O-CB 3.33Å; S377-D380 PolarHBondContact O-N 3.1Å; S377-D380 PolarHBondContact OG-OD2 3Å; K378-D380 PolarHBondContact O-N 2.67Å
381	L	97.1	Very high	95	Very high	19 Å²	19	56.9 Å²	56.9	10%	0.099	30%	0.298	C	S	.	.	S	Bend	trans	-95.4	142.8	-176.6	-52.5	-176.1	0	0	0	111.1	I316 I319 L362 L363 S377 K378 A379	I316-L381 HydrophobicContact CG2-CD1 4.08Å; I319-L381 HydrophobicContact CD1-CD2 3.56Å; I319-L381 HydrophobicContact CG1-CD1 4.4Å; I319-L381 HydrophobicContact CG1-CD2 3.93Å; L362-L381 HydrophobicContact CD1-CB 4.46Å; L362-L381 HydrophobicContact CD1-CD1 4.4Å; L362-L381 WeakPolarHBondContact O-CA 3.32Å; L363-L381 HydrophobicContact CB-CD2 4.35Å; L363-L381 HydrophobicContact CD1-CD2 3.86Å; S377-L381 WeakPolarHBondContact O-CG 3.48Å; K378-L381 PolarHBondContact O-N 2.81Å; A379-L381 VanDerWaalsContact C-N 3.34Å
382	T	94.6	Very high	95	Very high	60 Å²	60	53.1 Å²	53.1	37%	0.368	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-64.7	138	164	-48.1	0	0	0	0	108.5	V361 L362 T384	V361-T382 WeakPolarHBondContact O-CB 3.33Å; V361-T382 PolarHBondContact O-OG1 2.76Å; L362-T382 PolarHBondContact O-N 2.95Å; T382-T384 WeakPolarHBondContact O-CG2 3.38Å; T382-T384 PolarHBondContact O-N 2.88Å; T382-T384 VanDerWaalsContact O-N 3.14Å
383	P	81.2	Confident	95	Very high	124 Å²	124	50.4 Å²	50.4	81%	0.805	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-54.7	122.5	172.8	-25.8	34.3	0	0	0	110.8
384	T	73.9	Confident	95	Very high	29 Å²	29	45.3 Å²	45.3	18%	0.178	25%	0.249	C	C	.	.			trans	-124.7	145.4	178.9	52	0	0	0	0	111.2	L315 L362 T382	L315-T384 WeakPolarHBondContact CD2-O 3.43Å; L362-T384 HydrophobicContact CB-CG2 4.46Å; L362-T384 HydrophobicContact CD1-CG2 3.63Å; T382-T384 WeakPolarHBondContact O-CG2 3.38Å; T382-T384 PolarHBondContact O-N 2.88Å; T382-T384 VanDerWaalsContact O-N 3.14Å
385	R	89.1	Confident	95	Very high	113 Å²	113	45.5 Å²	45.5	43%	0.426	25%	0.252	S	S	.	.			trans	-67.4	171.4	160.7	61.9	-172.3	170.8	113.6	-1.2	109.9	E360 V387	E360-R385 IonicContact OE1-CZ 3.57Å; E360-R385 IonicContact OE1-NE 3.36Å; E360-R385 PolarHBondContact OE1-NE 2.75Å; E360-R385 IonicContact OE1-NH2 2.86Å; E360-R385 PolarHBondContact OE1-NH2 3.47Å; E360-R385 IonicContact OE2-NE 3.96Å; R385-V387 WeakPolarHBondContact O-CG1 3.35Å; R385-V387 PolarHBondContact O-N 2.85Å
386	P	94.6	Very high	94.8	Very high	39 Å²	39	41.3 Å²	41.3	25%	0.253	23%	0.234	S	C	.	.			trans	-54.4	134.9	173.5	-25.5	35.2	0	0	0	111.5	G314 L315 R410	G314-P386 WeakPolarHBondContact O-CA 3.09Å; L315-P386 HydrophobicContact CD2-CB 4.47Å; L315-P386 HydrophobicContact CD2-CG 3.89Å; L315-P386 HydrophobicContact CG-CG 4.18Å; P386-R410 HydrophobicContact CB-CB 4.14Å; P386-R410 HydrophobicContact CG-CB 4.08Å; P386-R410 HydrophobicContact CG-CG 4.17Å
387	V	96.2	Very high	94.8	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.5	-179.8	-62.6	0	0	0	0	110.1	L310 P313 G314 I316 A338 R385	L310-V387 HydrophobicContact CD1-CG2 4.04Å; P313-V387 CarbonylContact C-O 3.47Å; P313-V387 WeakPolarHBondContact CA-O 3.33Å; G314-V387 PolarHBondContact N-O 3.41Å; G314-V387 PolarHBondContact O-N 3.15Å; I316-V387 HydrophobicContact CD1-CG2 4.2Å; I316-V387 HydrophobicContact CG1-CG2 3.87Å; A338-V387 HydrophobicContact CB-CB 4.03Å; A338-V387 HydrophobicContact CB-CG1 3.68Å; A338-V387 HydrophobicContact CB-CG2 4.23Å; R385-V387 WeakPolarHBondContact O-CG1 3.35Å; R385-V387 PolarHBondContact O-N 2.85Å
388	S	97.1	Very high	94.9	Very high	8 Å²	8	38.8 Å²	38.8	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-16.7	174.2	64.9	0	0	0	0	113.4	L310 C339 L341	L310-S388 WeakPolarHBondContact CG-O 3.5Å; L310-S388 PolarHBondContact N-O 3.06Å; C339-S388 PolarHBondContact O-N 3.16Å; L341-S388 PolarHBondContact N-OG 2.78Å; L341-S388 VanDerWaalsContact N-OG 3.08Å
389	H	98.1	Very high	95	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.6	-178.4	-66.6	86.3	0	0	0	110.8	F308 R309 A338 C339 E346 W354 W359	F308-H389 CarbonylContact O-C 3.33Å; F308-H389 VanDerWaalsContact O-CA 3.28Å; F308-H389 WeakPolarHBondContact O-CA 3.25Å; R309-H389 WeakPolarHBondContact CD-NE2 3.48Å; A338-H389 CarbonylContact C-O 3.57Å; A338-H389 VanDerWaalsContact CA-O 3.24Å; A338-H389 WeakPolarHBondContact CA-O 2.97Å; A338-H389 WeakPolarHBondContact CB-O 3.34Å; C339-H389 PolarHBondContact N-O 3.32Å; C339-H389 PolarHBondContact O-N 2.94Å; E346-H389 IonicContact OE2-CE1 2.66Å; E346-H389 PolarHBondContact OE2-CE1 2.89Å; E346-H389 VanDerWaalsContact OE2-CE1 3.26Å; E346-H389 IonicContact OE2-NE2 3.3Å; E346-H389 PolarHBondContact OE2-NE2 3.44Å; W354-H389 AromaticContact CH2-CD2 3.94Å; W359-H389 HydrophobicContact CH2-CB 4.13Å; W359-H389 HydrophobicContact CZ3-CB 4.35Å
390	V	98.4	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150	172.8	-63.8	0	0	0	0	110.6	V243 V307 F308 L310 I336 E337 A338 L362 L405	V243-V390 HydrophobicContact CG2-CG2 4.32Å; V307-V390 CarbonylContact C-O 3.58Å; V307-V390 WeakPolarHBondContact CA-O 3.44Å; F308-V390 HydrophobicContact CB-CG2 3.87Å; F308-V390 HydrophobicContact CD2-CG2 4.4Å; F308-V390 PolarHBondContact N-O 3.45Å; F308-V390 PolarHBondContact O-N 2.85Å; L310-V390 HydrophobicContact CD2-CG1 4.37Å; L310-V390 HydrophobicContact CD2-CG2 4.32Å; I336-V390 HydrophobicContact CG2-CB 4.21Å; E337-V390 CarbonylContact O-C 3.53Å; E337-V390 VanDerWaalsContact O-CA 3.28Å; E337-V390 WeakPolarHBondContact O-CA 3.13Å; A338-V390 HydrophobicContact CB-CG1 4.01Å; L362-V390 HydrophobicContact CD2-CG1 4.48Å; V390-L405 HydrophobicContact CB-CD1 3.95Å; V390-L405 HydrophobicContact CG1-CD1 3.44Å; V390-L405 VanDerWaalsContact CG1-CD1 3.44Å; V390-L405 HydrophobicContact CG2-CD1 3.56Å
391	R	98.4	Very high	95.3	Very high	34 Å²	34	23.2 Å²	23.2	13%	0.128	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	110.5	170.7	-175.8	163	63.2	-176	2.2	108.1	W305 A306 V307 I336 E337 W354 W359 I393	W305-R391 HydrophobicContact CB-CG 4.09Å; A306-R391 CarbonylContact O-C 3.58Å; A306-R391 WeakPolarHBondContact O-CA 3.24Å; V307-R391 HydrophobicContact CG2-CB 4Å; V307-R391 HydrophobicContact CG2-CG 3.82Å; I336-R391 WeakPolarHBondContact CA-O 3.37Å; E337-R391 HydrophobicContact CB-CB 4.45Å; E337-R391 PolarHBondContact N-O 2.71Å; E337-R391 PolarHBondContact O-N 2.61Å; E337-R391 IonicContact OE2-CZ 2.65Å; E337-R391 VanDerWaalsContact OE2-CZ 3.3Å; E337-R391 IonicContact OE2-NE 2.94Å; E337-R391 PolarHBondContact OE2-NE 2.98Å; E337-R391 VanDerWaalsContact OE2-NE 3.13Å; E337-R391 IonicContact OE2-NH2 3.76Å; E337-R391 PolarHBondContact OE2-NH2 3.34Å; W354-R391 PolarHBondContact O-NH1 3.22Å; W359-R391 VanDerWaalsContact CD1-CZ 3.45Å; W359-R391 HydrophobicContact CD2-CB 4.33Å; W359-R391 HydrophobicContact CE3-CB 4.01Å; W359-R391 HydrophobicContact CH2-CB 3.64Å; W359-R391 HydrophobicContact CZ2-CB 3.95Å; W359-R391 HydrophobicContact CZ3-CB 3.67Å; R391-I393 HydrophobicContact CG-CD1 4.34Å; R391-I393 HydrophobicContact CG-CG1 3.88Å
392	L	98.8	Very high	95.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.1	166.7	176.6	63.9	0	0	0	107.8	M265 W278 W305 A306 C334 I336 I394 V400 L403	M265-L392 HydrophobicContact CE-CD2 3.9Å; M265-L392 HydrophobicContact SD-CD2 3.85Å; W278-L392 HydrophobicContact CZ3-CD2 4.33Å; W305-L392 CarbonylContact C-O 3.59Å; W305-L392 WeakPolarHBondContact CA-O 3.44Å; A306-L392 PolarHBondContact N-O 3.14Å; A306-L392 PolarHBondContact O-N 3.49Å; C334-L392 HydrophobicContact CB-CD1 4.07Å; I336-L392 HydrophobicContact CD1-CD1 4.28Å; I336-L392 HydrophobicContact CG1-CD1 3.79Å; L392-I394 HydrophobicContact CD1-CG2 4.46Å; L392-I394 HydrophobicContact CD2-CG2 4.38Å; L392-I394 HydrophobicContact CG-CG2 4.19Å; L392-V400 HydrophobicContact CD2-CG1 4.27Å; L392-V400 HydrophobicContact CD2-CG2 4.42Å; L392-L403 HydrophobicContact CB-CD2 4.41Å
393	I	98.7	Very high	95.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.1	176.6	-56.7	173.4	0	0	0	107.5	W303 E304 W305 C334 R335 E337 R391	W303-I393 HydrophobicContact CB-CG2 3.59Å; W303-I393 HydrophobicContact CG-CG2 3.72Å; E304-I393 CarbonylContact O-C 3.55Å; E304-I393 WeakPolarHBondContact O-CA 3.46Å; W305-I393 HydrophobicContact CB-CG1 4.22Å; C334-I393 CarbonylContact C-O 3.51Å; C334-I393 WeakPolarHBondContact CA-O 3.48Å; C334-I393 WeakPolarHBondContact CB-O 3.31Å; R335-I393 HydrophobicContact CG-CB 3.84Å; R335-I393 HydrophobicContact CG-CD1 4.2Å; R335-I393 HydrophobicContact CG-CG1 4.48Å; R335-I393 HydrophobicContact CG-CG2 4.34Å; R335-I393 PolarHBondContact N-O 2.94Å; R335-I393 PolarHBondContact O-N 3.46Å; E337-I393 HydrophobicContact CG-CD1 4.17Å; E337-I393 VanDerWaalsContact OE1-CD1 3.26Å; E337-I393 WeakPolarHBondContact OE1-CD1 3.32Å; E337-I393 WeakPolarHBondContact OE2-CD1 3.29Å; R391-I393 HydrophobicContact CG-CD1 4.34Å; R391-I393 HydrophobicContact CG-CG1 3.88Å
394	I	98.7	Very high	96.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.7	176.9	66.5	174	0	0	0	109.6	W278 T280 W303 E304 P331 S333 C334 L392 V400	W278-I394 HydrophobicContact CE3-CD1 4.46Å; W278-I394 HydrophobicContact CH2-CD1 4Å; W278-I394 HydrophobicContact CH2-CG1 4.18Å; W278-I394 HydrophobicContact CZ3-CD1 3.88Å; W278-I394 HydrophobicContact CZ3-CG1 4.25Å; W278-I394 HydrophobicContact CZ3-CG2 4.36Å; T280-I394 HydrophobicContact CG2-CD1 4.3Å; W303-I394 WeakPolarHBondContact CA-O 3.4Å; W303-I394 WeakPolarHBondContact CB-O 3.39Å; E304-I394 HydrophobicContact CB-CD1 4.24Å; E304-I394 HydrophobicContact CB-CG1 3.79Å; E304-I394 PolarHBondContact N-O 3.31Å; E304-I394 PolarHBondContact O-N 3.09Å; P331-I394 HydrophobicContact CB-CB 3.69Å; P331-I394 HydrophobicContact CB-CD1 4.24Å; P331-I394 HydrophobicContact CB-CG1 4.36Å; P331-I394 HydrophobicContact CB-CG2 4.29Å; P331-I394 HydrophobicContact CG-CB 3.87Å; P331-I394 HydrophobicContact CG-CD1 4.22Å; P331-I394 HydrophobicContact CG-CG2 3.9Å; S333-I394 WeakPolarHBondContact O-CA 3.33Å; C334-I394 HydrophobicContact CB-CG2 4.28Å; L392-I394 HydrophobicContact CD1-CG2 4.46Å; L392-I394 HydrophobicContact CD2-CG2 4.38Å; L392-I394 HydrophobicContact CG-CG2 4.19Å; I394-V400 HydrophobicContact CG2-CG2 3.85Å
395	A	97.6	Very high	97.6	Very high	11 Å²	11	13.2 Å²	13.2	9%	0.091	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143	-179.4	0	0	0	0	0	112	V300 W303 D332 S333	V300-A395 HydrophobicContact CG2-CB 4.17Å; W303-A395 HydrophobicContact CB-CB 4.48Å; D332-A395 VanDerWaalsContact CB-O 3.26Å; D332-A395 WeakPolarHBondContact CB-O 3.48Å; D332-A395 PolarHBondContact N-O 2.74Å; S333-A395 PolarHBondContact N-O 2.88Å; S333-A395 PolarHBondContact O-N 2.91Å
396	P	96.3	Very high	98	Very high	20 Å²	20	12.7 Å²	12.7	13%	0.13	6%	0.062	C	C	.	.	S	Bend	cis	-68.5	-36.9	-15.2	26.2	-30.1	0	0	0	112.2	R283 V300	R283-P396 WeakPolarHBondContact CD-O 3.27Å; V300-P396 HydrophobicContact CB-CB 4.09Å; V300-P396 HydrophobicContact CG1-CB 4.38Å; V300-P396 HydrophobicContact CG1-CG 4.36Å; V300-P396 HydrophobicContact CG2-CB 3.76Å; V300-P396 HydrophobicContact CG2-CG 4.31Å
397	D	98	Very high	98.1	Very high	21 Å²	21	10.8 Å²	10.8	11%	0.112	5%	0.05	C	C	.	.			trans	-161.7	175.1	-175.4	48.1	81.8	0	0	0	108.7	T280 A281 R283 E304 P331	T280-D397 WeakPolarHBondContact OG1-CB 3.32Å; A281-D397 WeakPolarHBondContact O-CB 3.16Å; R283-D397 WeakPolarHBondContact CB-OD2 3.3Å; R283-D397 HydrophobicContact CG-CB 4.06Å; R283-D397 WeakPolarHBondContact CG-OD2 3.05Å; R283-D397 PolarHBondContact N-OD2 3.46Å; E304-D397 HydrophobicContact CG-CB 4.25Å; P331-D397 VanDerWaalsContact CA-O 3.23Å; P331-D397 WeakPolarHBondContact CA-O 3.45Å; P331-D397 WeakPolarHBondContact CB-O 3.49Å
398	G	98.1	Very high	98	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.031	7%	0.068	C	C	.	.			trans	142.8	-160.3	171.9	0	0	0	0	0	112.2	E279 T280 N329	E279-G398 WeakPolarHBondContact CA-O 3.36Å; T280-G398 PolarHBondContact N-O 2.67Å; T280-G398 PolarHBondContact OG1-N 3.05Å; T280-G398 PolarHBondContact OG1-O 3.41Å; N329-G398 CarbonylContact O-C 3.46Å; N329-G398 WeakPolarHBondContact O-CA 3.09Å
399	G	98.5	Very high	97.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.9	-178.5	0	0	0	0	0	115.8	W278 F326 N329 P331	W278-G399 CarbonylContact O-C 3.59Å; W278-G399 WeakPolarHBondContact O-CA 3.44Å; F326-G399 VanDerWaalsContact CD2-C 3.48Å; F326-G399 WeakPolarHBondContact CD2-O 3.31Å; F326-G399 WeakPolarHBondContact CG-O 3.14Å; N329-G399 PolarHBondContact O-N 3.22Å; P331-G399 WeakPolarHBondContact CD-O 3.27Å
400	V	98.8	Very high	97.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.3	176.3	-179.3	0	0	0	0	109	M265 W278 V321 F326 P331 L392 I394	M265-V400 HydrophobicContact CG-CG1 4.48Å; M265-V400 HydrophobicContact SD-CB 3.6Å; M265-V400 VanDerWaalsContact SD-CB 3.6Å; M265-V400 HydrophobicContact SD-CG1 3.54Å; M265-V400 VanDerWaalsContact SD-CG1 3.54Å; W278-V400 PolarHBondContact N-O 2.85Å; W278-V400 PolarHBondContact O-N 3.35Å; V321-V400 HydrophobicContact CG1-CG1 4.01Å; F326-V400 VanDerWaalsContact CE2-C 3.47Å; P331-V400 HydrophobicContact CG-CG2 3.92Å; L392-V400 HydrophobicContact CD2-CG1 4.27Å; L392-V400 HydrophobicContact CD2-CG2 4.42Å; I394-V400 HydrophobicContact CG2-CG2 3.85Å
401	S	98.6	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.13	C	C	.	.			trans	-82.1	-54.3	-178.7	174.5	0	0	0	0	111.9	A271 D322 N324	A271-S401 WeakPolarHBondContact CB-OG 2.98Å; A271-S401 PolarHBondContact N-OG 3.39Å; D322-S401 WeakPolarHBondContact O-CA 3.45Å; D322-S401 VanDerWaalsContact O-CB 3.24Å; D322-S401 WeakPolarHBondContact O-CB 3.46Å; D322-S401 PolarHBondContact O-N 3.15Å; N324-S401 WeakPolarHBondContact CB-OG 3.31Å
402	R	98.7	Very high	95	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.6	-175.9	-65.4	-63.5	-174.9	-98.4	6.6	112.1	N264 M265 R268 G269 D276 D322 R404	N264-R402 PolarHBondContact O-NH1 2.85Å; M265-R402 VanDerWaalsContact O-CA 3.29Å; M265-R402 WeakPolarHBondContact O-CA 3.35Å; M265-R402 WeakPolarHBondContact O-CD 3.49Å; R268-R402 PolarHBondContact O-NH2 2.9Å; G269-R402 PolarHBondContact O-NE 3.37Å; D276-R402 PolarHBondContact O-NH1 3.12Å; D276-R402 IonicContact OD1-NH1 3.38Å; D276-R402 IonicContact OD1-NH2 2.81Å; D276-R402 PolarHBondContact OD1-NH2 2.87Å; D276-R402 IonicContact OD2-CZ 2.78Å; D276-R402 IonicContact OD2-NH1 3.86Å; D276-R402 IonicContact OD2-NH2 2.55Å; D276-R402 PolarHBondContact OD2-NH2 3.17Å; D322-R402 HydrophobicContact CB-CB 4.03Å; D322-R402 PolarHBondContact N-O 3.02Å; D322-R402 PolarHBondContact O-N 3.37Å; R402-R404 VanDerWaalsContact CD-NH2 3.26Å
403	L	98.9	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.4	168	179.7	66.3	0	0	0	108.3	V243 M265 F308 I319 E320 V321 I336 L392 L405	V243-L403 HydrophobicContact CG1-CG 4.35Å; M265-L403 HydrophobicContact CB-CB 4.36Å; M265-L403 PolarHBondContact O-N 3.39Å; F308-L403 HydrophobicContact CD2-CD2 4.21Å; F308-L403 HydrophobicContact CE2-CD2 4.34Å; I319-L403 HydrophobicContact CG2-CD1 4.35Å; E320-L403 WeakPolarHBondContact O-CA 3.38Å; V321-L403 HydrophobicContact CG2-CD1 4.09Å; I336-L403 HydrophobicContact CD1-CD1 3.92Å; L392-L403 HydrophobicContact CB-CD2 4.41Å; L403-L405 HydrophobicContact CD1-CD2 4.31Å; L403-L405 HydrophobicContact CG-CG 4.45Å
404	R	98.8	Very high	90.2	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.2	171.4	-48.2	-68	171.3	-134.1	14.8	109.5	D241 M265 G267 G269 I319 E320 R402	D241-R404 WeakPolarHBondContact OD2-CD 3.34Å; D241-R404 IonicContact OD2-NE 3.37Å; D241-R404 IonicContact OD2-NH1 3.47Å; M265-R404 PolarHBondContact O-NH1 3.29Å; M265-R404 VanDerWaalsContact O-NH1 3.11Å; G267-R404 PolarHBondContact O-NH1 3.48Å; G267-R404 PolarHBondContact O-NH2 2.8Å; G269-R404 PolarHBondContact O-NH2 3.49Å; I319-R404 WeakPolarHBondContact CA-O 3.33Å; E320-R404 HydrophobicContact CB-CB 3.78Å; E320-R404 HydrophobicContact CB-CG 3.91Å; E320-R404 PolarHBondContact N-O 3.17Å; E320-R404 PolarHBondContact O-N 3.17Å; R402-R404 VanDerWaalsContact CD-NH2 3.26Å
405	L	98.4	Very high	87.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	86	177.1	-63.6	-176.1	0	0	0	109.1	D241 L242 V243 L310 I316 I319 V390 L403 G407	D241-L405 CarbonylContact C-O 3.55Å; D241-L405 WeakPolarHBondContact CA-O 3.32Å; D241-L405 PolarHBondContact OD1-N 3.35Å; L242-L405 PolarHBondContact N-O 3.22Å; V243-L405 HydrophobicContact CB-CB 4.22Å; V243-L405 HydrophobicContact CB-CD1 4.02Å; V243-L405 HydrophobicContact CB-CG 4.17Å; V243-L405 HydrophobicContact CG1-CB 4.06Å; V243-L405 HydrophobicContact CG1-CD1 4.26Å; V243-L405 HydrophobicContact CG1-CG 3.91Å; V243-L405 HydrophobicContact CG2-CD1 4.4Å; L310-L405 HydrophobicContact CD2-CD1 3.89Å; I316-L405 HydrophobicContact CD1-CB 4.11Å; I316-L405 HydrophobicContact CG2-CD2 4.42Å; I319-L405 HydrophobicContact CB-CD2 4.12Å; I319-L405 HydrophobicContact CD1-CD2 3.77Å; I319-L405 HydrophobicContact CG1-CD2 3.56Å; I319-L405 HydrophobicContact CG2-CD2 3.84Å; V390-L405 HydrophobicContact CB-CD1 3.95Å; V390-L405 HydrophobicContact CG1-CD1 3.44Å; V390-L405 VanDerWaalsContact CG1-CD1 3.44Å; V390-L405 HydrophobicContact CG2-CD1 3.56Å; L403-L405 HydrophobicContact CD1-CD2 4.31Å; L403-L405 HydrophobicContact CG-CG 4.45Å; L405-G407 PolarHBondContact O-N 3.12Å
406	W	98.1	Very high	84.3	Confident	101 Å²	101	47.5 Å²	47.5	38%	0.383	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.8	179.7	-61.4	99.5	0	0	0	109.8	V240 D241 G317 S318	V240-W406 VanDerWaalsContact C-CE3 3.41Å; V240-W406 WeakPolarHBondContact O-CA 3.36Å; D241-W406 HydrophobicContact CB-CD2 4.16Å; D241-W406 HydrophobicContact CB-CE3 4.01Å; D241-W406 HydrophobicContact CB-CH2 3.98Å; D241-W406 HydrophobicContact CB-CZ2 4.14Å; D241-W406 HydrophobicContact CB-CZ3 3.92Å; G317-W406 PolarHBondContact N-O 2.7Å; S318-W406 PolarHBondContact N-O 2.86Å; S318-W406 PolarHBondContact O-N 3.19Å; S318-W406 WeakPolarHBondContact OG-CB 3.34Å
407	G	95.9	Very high	81.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	177.5	-177.5	0	0	0	0	0	113	V240 L315 L405	V240-G407 PolarHBondContact N-O 3.02Å; V240-G407 PolarHBondContact O-N 3.08Å; L315-G407 CarbonylContact O-C 3.51Å; L315-G407 WeakPolarHBondContact O-CA 3.45Å; L405-G407 PolarHBondContact O-N 3.12Å
408	R	94.6	Very high	78.6	Confident	105 Å²	105	57.6 Å²	57.6	40%	0.396	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.6	-179.7	-61.7	-175.8	-172.1	169.7	0.5	110.1	D239 G314 L315 R410	D239-R408 WeakPolarHBondContact OD1-CG 3.49Å; D239-R408 IonicContact OD1-CZ 3.96Å; D239-R408 IonicContact OD1-NE 3.01Å; D239-R408 PolarHBondContact OD1-NE 2.99Å; G314-R408 CarbonylContact C-O 3.54Å; G314-R408 WeakPolarHBondContact CA-O 3.49Å; L315-R408 PolarHBondContact N-O 2.96Å; L315-R408 PolarHBondContact O-N 2.92Å; R408-R410 PolarHBondContact O-N 2.77Å
409	P	93.8	Very high	76	Confident	23 Å²	23	64 Å²	64	15%	0.149	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	134.9	172.9	-22	33.1	0	0	0	110.6	W231 I234 V240 L242	W231-P409 HydrophobicContact CE3-CB 4.25Å; W231-P409 HydrophobicContact CE3-CG 3.83Å; W231-P409 HydrophobicContact CZ3-CB 4.33Å; W231-P409 HydrophobicContact CZ3-CG 3.61Å; I234-P409 HydrophobicContact CG2-CG 4.48Å; V240-P409 HydrophobicContact CG2-CG 4Å; L242-P409 HydrophobicContact CD2-CG 4.05Å
410	R	90.3	Very high	72.9	Confident	104 Å²	104	69.6 Å²	69.6	39%	0.392	41%	0.406	S	S	.	.			trans	-128.2	131.4	174.5	-66.7	-60.5	-171.6	174.2	2.8	109.4	H312 P313 L315 P386 R408 V412	H312-R410 PolarHBondContact CE1-O 3.44Å; H312-R410 VanDerWaalsContact CE1-O 3.28Å; P313-R410 PolarHBondContact O-N 2.99Å; L315-R410 HydrophobicContact CD1-CG 4.18Å; L315-R410 HydrophobicContact CG-CG 3.99Å; P386-R410 HydrophobicContact CB-CB 4.14Å; P386-R410 HydrophobicContact CG-CB 4.08Å; P386-R410 HydrophobicContact CG-CG 4.17Å; R408-R410 PolarHBondContact O-N 2.77Å; R410-V412 PolarHBondContact O-N 3.29Å
411	L	77.8	Confident	70	Confident	158 Å²	158	80 Å²	80	83%	0.827	45%	0.445	S	S	*	.			trans	-64.9	128.5	168.1	-66.9	172.3	0	0	0	108.1
412	V	67.4	Low	66.7	Low	45 Å²	45	84.7 Å²	84.7	27%	0.273	48%	0.483	S	S	.	.			trans	-97.7	112.5	170.8	-179	0	0	0	0	105.7	P313 L340 R410 G414 A415	P313-V412 HydrophobicContact CB-CG2 3.51Å; P313-V412 HydrophobicContact CG-CG2 3.95Å; L340-V412 HydrophobicContact CD1-CG1 4.28Å; L340-V412 HydrophobicContact CD1-CG2 3.88Å; L340-V412 HydrophobicContact CD2-CG1 3.89Å; L340-V412 HydrophobicContact CD2-CG2 4.32Å; R410-V412 PolarHBondContact O-N 3.29Å; V412-G414 PolarHBondContact O-N 2.83Å; V412-A415 PolarHBondContact O-N 3.45Å
413	T	48.8	Very low	63.5	Low	146 Å²	146	89.5 Å²	89.5	90%	0.896	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	110.9	173.4	42.7	0	0	0	0	108.8
414	G	47.7	Very low	60.4	Low	78 Å²	78	93.6 Å²	93.6	80%	0.804	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.1	-6.5	179.4	0	0	0	0	0	116.2	V412	V412-G414 PolarHBondContact O-N 2.83Å
415	A	38.3	Very low	57.2	Low	70 Å²	70	101.7 Å²	101.7	58%	0.579	58%	0.582	S	S	*	*	S	Bend	trans	-79.3	128.7	168.3	0	0	0	0	0	109.7	V412 A417	V412-A415 PolarHBondContact O-N 3.45Å; A415-A417 PolarHBondContact O-N 3.23Å
416	P	33.8	Very low	53.9	Low	101 Å²	101	113.3 Å²	113.3	66%	0.656	64%	0.643	S	S	*	*			trans	-59.5	131.5	171.1	24	-30	0	0	0	108.1	N418	P416-N418 VanDerWaalsContact C-N 3.31Å; P416-N418 PolarHBondContact O-N 3.06Å
417	A	36.9	Very low	51.7	Low	87 Å²	87	114 Å²	114	72%	0.719	66%	0.656	S	S	*	*			trans	-60.5	96.6	172.5	0	0	0	0	0	108.2	A415 Q419	A415-A417 PolarHBondContact O-N 3.23Å; A417-Q419 PolarHBondContact O-N 3.12Å
418	N	39.1	Very low	49.4	Very low	166 Å²	166	119.9 Å²	119.9	89%	0.888	69%	0.69	S	S	*	*			trans	-71.6	64.5	156.2	-97	-4.8	0	0	0	107.8	P416	P416-N418 VanDerWaalsContact C-N 3.31Å; P416-N418 PolarHBondContact O-N 3.06Å
419	Q	42.1	Very low	46.9	Very low	137 Å²	137	120.8 Å²	120.8	64%	0.64	71%	0.706	S	S	*	*			trans	-129.9	73.8	162.2	-69.6	-171.8	13.7	0	0	105.7	A417 R421	A417-Q419 PolarHBondContact O-N 3.12Å; Q419-R421 PolarHBondContact O-N 2.73Å
420	S	33.9	Very low	44.1	Very low	119 Å²	119	126.5 Å²	126.5	83%	0.832	74%	0.739	S	S	*	*			trans	-61.4	99.3	142.5	58.4	0	0	0	0	105	A422	S420-A422 VanDerWaalsContact C-N 3.34Å; S420-A422 PolarHBondContact O-N 2.75Å
421	R	37.6	Very low	41.2	Very low	219 Å²	219	127.9 Å²	127.9	83%	0.826	76%	0.761	S	S	*	*			trans	-49.8	106.7	160.5	-84.3	176.8	168.6	178.9	-4.1	106.1	Q419 S423	Q419-R421 PolarHBondContact O-N 2.73Å; R421-S423 PolarHBondContact O-N 3.26Å; R421-S423 VanDerWaalsContact O-N 3.1Å
422	A	30.7	Very low	38.8	Very low	97 Å²	97	125.9 Å²	125.9	80%	0.802	76%	0.756	S	S	*	*			trans	-72.1	92.3	144.4	0	0	0	0	0	104	S420 S424	S420-A422 VanDerWaalsContact C-N 3.34Å; S420-A422 PolarHBondContact O-N 2.75Å; A422-S424 PolarHBondContact O-N 3.37Å
423	S	31.6	Very low	36.7	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	79%	0.791	S	S	*	*			trans	-58.9	95.8	158.8	41.5	0	0	0	0	106.4	R421 K425	R421-S423 PolarHBondContact O-N 3.26Å; R421-S423 VanDerWaalsContact O-N 3.1Å; S423-K425 PolarHBondContact O-N 3.35Å
424	S	32.6	Very low	35.8	Very low	87 Å²	87	130.6 Å²	130.6	61%	0.608	78%	0.783	S	S	*	*			trans	-65.6	95.3	161.7	172.3	0	0	0	0	107.1	A422	A422-S424 PolarHBondContact O-N 3.37Å
425	K	33	Very low	34.8	Very low	189 Å²	189	135 Å²	135	82%	0.822	78%	0.781	S	S	*	*			trans	-134.7	113.2	139.7	-77.1	-168	177.8	-174.5	0	104.4	S423	S423-K425 PolarHBondContact O-N 3.35Å
426	L	28.6	Very low	34.5	Very low	245 Å²	245	140.9 Å²	140.9	100%	1.283	80%	0.8	S	S	*	*			trans	98.9	0	-173.6	-58.2	162.2	0	0	0	113.7

Retrieved 426 of 426 residues in 449.1 ms (Link to these results)

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