A0A087XE05_POEFO Loading...

asparagine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A087XE05, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 486 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	40.3	Very low	37.3	Very low	236 Å²	236	149.2 Å²	149.2	100%	1.163	80%	0.803	S	S	*	*				0	54.3	0	-150	-178.4	-128.3	0	0	110.5
2	F	33.9	Very low	37.2	Very low	208 Å²	208	147.4 Å²	147.4	91%	0.912	79%	0.792	S	S	*	*			trans	-151.6	72.6	178.9	-90.6	-79.1	0	0	0	109.9
3	Q	39.1	Very low	37.3	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	77%	0.773	S	S	*	*			trans	-154.8	57.5	165.5	-94.9	-166.3	-12.7	0	0	109.7
4	T	38.1	Very low	37.4	Very low	142 Å²	142	136.1 Å²	136.1	87%	0.871	76%	0.76	S	S	*	*	S	Bend	trans	-149.2	16.6	176.1	13.4	0	0	0	0	115.4
5	S	37.2	Very low	37.6	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	74%	0.742	S	S	*	*	S	Bend	trans	-116.3	7.3	-179.7	-152.1	0	0	0	0	115.5
6	A	38.1	Very low	37.7	Very low	92 Å²	92	127.8 Å²	127.8	76%	0.76	73%	0.726	S	S	*	*	S	Bend	trans	-100.9	-2.8	-174	0	0	0	0	0	115.4
7	K	38.7	Very low	38.1	Very low	195 Å²	195	124.4 Å²	124.4	85%	0.848	71%	0.712	S	S	*	*	S	Bend	trans	-102.2	-3.4	-175.6	-80.5	-174.3	176	179.7	0	115.7
8	T	35.3	Very low	38.3	Very low	108 Å²	108	120.8 Å²	120.8	66%	0.663	70%	0.7	S	S	*	*	S	Bend	trans	-99.5	-6.5	-178.2	-16.7	0	0	0	0	113.7
9	F	34.2	Very low	38.4	Very low	172 Å²	172	123.7 Å²	123.7	75%	0.754	70%	0.699	S	S	*	*	S	Bend	trans	-97.2	-10.7	-179.3	-94.2	-84.9	0	0	0	115.2
10	S	37.4	Very low	38.5	Very low	87 Å²	87	127.2 Å²	127.2	61%	0.608	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-13.8	-177.9	85.4	0	0	0	0	114.5
11	V	38.1	Very low	38.6	Very low	107 Å²	107	130.4 Å²	130.4	65%	0.648	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-25.7	-178.3	-176.2	0	0	0	0	112.2
12	L	35.7	Very low	38.7	Very low	128 Å²	128	124.3 Å²	124.3	67%	0.67	68%	0.678	S	S	*	*	H	α-helix	trans	-82.7	-20.1	176.3	-86.3	153.1	0	0	0	113.8	T15	L12-T15 PolarHBondContact O-OG1 3.36Å
13	A	38.5	Very low	38.8	Very low	66 Å²	66	121.1 Å²	121.1	55%	0.545	66%	0.664	S	S	.	*	H	α-helix	trans	-79	-27.3	178.3	0	0	0	0	0	113.1
14	A	39.7	Very low	38.7	Very low	71 Å²	71	117.8 Å²	117.8	59%	0.587	65%	0.652	S	S	*	*	H	α-helix	trans	-76.9	-32.5	-179.4	0	0	0	0	0	112.8
15	T	39.9	Very low	38.9	Very low	80 Å²	80	115.9 Å²	115.9	49%	0.491	64%	0.64	S	S	.	*	H	α-helix	trans	-79.2	-29.3	178.2	46.6	0	0	0	0	112.8	L12 S17 Y19	L12-T15 PolarHBondContact O-OG1 3.36Å; T15-S17 VanDerWaalsContact C-N 3.34Å; T15-S17 PolarHBondContact O-N 3.22Å; T15-Y19 WeakPolarHBondContact O-CD2 3.49Å
16	A	38.8	Very low	38.8	Very low	58 Å²	58	113.2 Å²	113.2	48%	0.479	63%	0.629	S	S	.	*	H	α-helix	trans	-71.4	-25.1	175	0	0	0	0	0	113.9	R20	A16-R20 PolarHBondContact O-N 3.06Å
17	S	43.9	Very low	38.7	Very low	71 Å²	71	114.8 Å²	114.8	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-75	-36.7	178.7	179.1	0	0	0	0	112.9	T15 R21	T15-S17 VanDerWaalsContact C-N 3.34Å; T15-S17 PolarHBondContact O-N 3.22Å; S17-R21 PolarHBondContact O-N 3.47Å
18	A	42.8	Very low	38.6	Very low	59 Å²	59	116.6 Å²	116.6	49%	0.488	63%	0.625	S	S	.	*	H	α-helix	trans	-69.7	-39.7	178.7	0	0	0	0	0	112.4	R21 V22	A18-R21 PolarHBondContact O-N 3.17Å; A18-V22 WeakPolarHBondContact O-CG2 3.31Å; A18-V22 PolarHBondContact O-N 3Å
19	Y	39.3	Very low	38.9	Very low	176 Å²	176	121.7 Å²	121.7	69%	0.69	63%	0.632	S	S	*	*	H	α-helix	trans	-72	-32.4	177	-83.8	-87.7	0	0	0	113.3	T15 F23	T15-Y19 WeakPolarHBondContact O-CD2 3.49Å; Y19-F23 WeakPolarHBondContact O-CB 3.49Å; Y19-F23 PolarHBondContact O-N 3.33Å
20	R	40.4	Very low	39.2	Very low	193 Å²	193	123.1 Å²	123.1	73%	0.728	63%	0.634	S	S	*	*	H	α-helix	trans	-68.7	-34.9	173.7	-99.1	-178	173.2	-173.9	-1.4	113	A16 L24	A16-R20 PolarHBondContact O-N 3.06Å; R20-L24 VanDerWaalsContact O-CB 3.31Å; R20-L24 WeakPolarHBondContact O-CB 3.48Å; R20-L24 WeakPolarHBondContact O-CD1 3.5Å; R20-L24 PolarHBondContact O-N 3.26Å
21	R	40.4	Very low	39.6	Very low	196 Å²	196	124.5 Å²	124.5	74%	0.74	64%	0.642	S	S	*	*	H	α-helix	trans	-72.4	-33	176	-91.9	-177	173.2	-177.7	-0.6	113	S17 A18 V25	S17-R21 PolarHBondContact O-N 3.47Å; A18-R21 PolarHBondContact O-N 3.17Å; R21-V25 WeakPolarHBondContact O-CB 3.19Å; R21-V25 WeakPolarHBondContact O-CG2 3.4Å; R21-V25 PolarHBondContact O-N 3.47Å
22	V	42.4	Very low	40.2	Very low	108 Å²	108	128 Å²	128	66%	0.655	65%	0.649	S	S	*	*	H	α-helix	trans	-75.4	-34.5	175.6	178.6	0	0	0	0	111.6	A18 G26	A18-V22 WeakPolarHBondContact O-CG2 3.31Å; A18-V22 PolarHBondContact O-N 3Å; V22-G26 PolarHBondContact O-N 2.98Å
23	F	37.1	Very low	41.4	Very low	141 Å²	141	130.9 Å²	130.9	62%	0.618	66%	0.656	S	S	*	*	H	α-helix	trans	-73.8	-34.1	174.1	-100	-95.3	0	0	0	114.1	Y19 G26 L27	Y19-F23 WeakPolarHBondContact O-CB 3.49Å; Y19-F23 PolarHBondContact O-N 3.33Å; F23-G26 PolarHBondContact O-N 3.46Å; F23-L27 HydrophobicContact CD1-CD1 3.86Å; F23-L27 WeakPolarHBondContact O-CB 3.47Å; F23-L27 WeakPolarHBondContact O-CD1 3.39Å; F23-L27 PolarHBondContact O-N 3Å
24	L	37.6	Very low	43.3	Very low	121 Å²	121	133.5 Å²	133.5	63%	0.634	67%	0.666	S	S	*	*	H	α-helix	trans	-79.2	-20.3	177	-80.7	158.5	0	0	0	113.8	R20	R20-L24 VanDerWaalsContact O-CB 3.31Å; R20-L24 WeakPolarHBondContact O-CB 3.48Å; R20-L24 WeakPolarHBondContact O-CD1 3.5Å; R20-L24 PolarHBondContact O-N 3.26Å
25	V	40.9	Very low	45.6	Very low	102 Å²	102	131.3 Å²	131.3	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-86.5	-26.8	169.8	177.3	0	0	0	0	111.1	R21	R21-V25 WeakPolarHBondContact O-CB 3.19Å; R21-V25 WeakPolarHBondContact O-CG2 3.4Å; R21-V25 PolarHBondContact O-N 3.47Å
26	G	36	Very low	48.1	Very low	47 Å²	47	131 Å²	131	49%	0.485	64%	0.644	S	S	.	*	H	α-helix	trans	-76.7	-33.9	173.7	0	0	0	0	0	115	V22 F23	V22-G26 PolarHBondContact O-N 2.98Å; F23-G26 PolarHBondContact O-N 3.46Å
27	L	36	Very low	50.8	Low	124 Å²	124	134.4 Å²	134.4	65%	0.649	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-12.8	178.1	-96.1	110	0	0	0	114.8	F23 R29	F23-L27 HydrophobicContact CD1-CD1 3.86Å; F23-L27 WeakPolarHBondContact O-CB 3.47Å; F23-L27 WeakPolarHBondContact O-CD1 3.39Å; F23-L27 PolarHBondContact O-N 3Å; L27-R29 VanDerWaalsContact C-N 3.29Å
28	R	36.8	Very low	53.3	Low	234 Å²	234	131.9 Å²	131.9	88%	0.883	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-2.3	172.3	-94.1	-175.7	174.9	-176.6	-0.2	114
29	R	41.3	Very low	55.9	Low	214 Å²	214	135.3 Å²	135.3	81%	0.808	63%	0.629	S	S	*	*	S	Bend	trans	-113.3	6.3	-173.6	-111.3	179.3	179.5	178.2	-0.2	115.8	L27	L27-R29 VanDerWaalsContact C-N 3.29Å
30	Y	40.9	Very low	58.7	Low	203 Å²	203	127 Å²	127	80%	0.796	60%	0.596	S	S	*	*			trans	-140.7	24.9	-178.7	-116.4	-93.1	0	0	0	115.6	K32	Y30-K32 VanDerWaalsContact C-N 3.31Å; Y30-K32 PolarHBondContact O-N 2.8Å
31	C	44.3	Very low	61.3	Low	116 Å²	116	119.7 Å²	119.7	78%	0.784	58%	0.575	S	S	*	*			trans	-79.7	92.8	146.2	-69	0	0	0	0	105.6	K33	C31-K33 VanDerWaalsContact C-N 3.25Å; C31-K33 PolarHBondContact O-N 3.31Å
32	K	51.2	Low	64	Low	179 Å²	179	114.6 Å²	114.6	78%	0.778	56%	0.56	S	S	*	*			trans	-50.5	105	157	-97.9	-175.5	173.9	-176.9	0	104.8	Y30 T34	Y30-K32 VanDerWaalsContact C-N 3.31Å; Y30-K32 PolarHBondContact O-N 2.8Å; K32-T34 VanDerWaalsContact C-N 3.32Å; K32-T34 PolarHBondContact O-N 3.27Å; K32-T34 PolarHBondContact O-OG1 2.81Å
33	K	61.4	Low	66.5	Low	189 Å²	189	109.4 Å²	109.4	82%	0.822	53%	0.528	S	S	*	.			trans	-51.9	105.3	176	-125.5	-178.4	178.9	-174.5	0	104.5	C31 S35	C31-K33 VanDerWaalsContact C-N 3.25Å; C31-K33 PolarHBondContact O-N 3.31Å; K33-S35 PolarHBondContact O-N 3.19Å
34	T	79	Confident	69.3	Low	122 Å²	122	103.7 Å²	103.7	75%	0.748	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-71.8	118.4	-175.8	-38.9	0	0	0	0	105	K32 T36	K32-T34 VanDerWaalsContact C-N 3.32Å; K32-T34 PolarHBondContact O-N 3.27Å; K32-T34 PolarHBondContact O-OG1 2.81Å; T34-T36 PolarHBondContact O-N 3.39Å
35	S	86.4	Confident	71.9	Confident	25 Å²	25	101.9 Å²	101.9	18%	0.175	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-54.9	132.3	-173.7	-39	0	0	0	0	109.7	K33 K37 D52 T104	K33-S35 PolarHBondContact O-N 3.19Å; S35-K37 PolarHBondContact O-N 3.41Å; S35-D52 WeakPolarHBondContact CB-OD2 3.28Å; S35-D52 VanDerWaalsContact OG-CG 3.27Å; S35-D52 PolarHBondContact OG-OD1 3.27Å; S35-D52 PolarHBondContact OG-OD2 2.95Å; S35-T104 WeakPolarHBondContact OG-CG2 3.43Å
36	T	93.4	Very high	74.2	Confident	74 Å²	74	97.9 Å²	97.9	45%	0.454	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	123.4	-173.3	-59.3	0	0	0	0	108.6	T34 L38 D52 V53 K54	T34-T36 PolarHBondContact O-N 3.39Å; T36-L38 HydrophobicContact CG2-CD2 4.19Å; T36-L38 PolarHBondContact O-N 3.45Å; T36-D52 PolarHBondContact N-O 3.14Å; T36-D52 VanDerWaalsContact N-O 3.16Å; T36-V53 CarbonylContact O-C 3.58Å; T36-V53 VanDerWaalsContact O-CA 3.31Å; T36-V53 WeakPolarHBondContact O-CA 3.27Å; T36-K54 PolarHBondContact O-N 2.75Å
37	K	95.9	Very high	76.5	Confident	128 Å²	128	99.1 Å²	99.1	56%	0.557	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.6	177.9	-178.3	175.7	168.9	173.4	0	109.4	S35 K54	S35-K37 PolarHBondContact O-N 3.41Å; K37-K54 VanDerWaalsContact CA-O 3.3Å; K37-K54 WeakPolarHBondContact CA-O 3.46Å
38	L	96.9	Very high	79	Confident	19 Å²	19	97.3 Å²	97.3	10%	0.099	48%	0.475	C	S	.	.			trans	-123	146.9	175.6	-61.7	-179.5	0	0	0	110.8	T36 E42 A43 Q48 V53 K54	T36-L38 HydrophobicContact CG2-CD2 4.19Å; T36-L38 PolarHBondContact O-N 3.45Å; L38-E42 HydrophobicContact CB-CB 4.4Å; L38-E42 HydrophobicContact CD2-CB 4.44Å; L38-A43 HydrophobicContact CD1-CB 4.43Å; L38-Q48 HydrophobicContact CD1-CB 3.92Å; L38-Q48 HydrophobicContact CD1-CG 3.97Å; L38-Q48 HydrophobicContact CD2-CG 4.35Å; L38-V53 HydrophobicContact CD1-CB 4.02Å; L38-V53 HydrophobicContact CD1-CG1 3.62Å; L38-V53 HydrophobicContact CG-CB 4.4Å; L38-V53 HydrophobicContact CG-CG1 4.3Å; L38-K54 PolarHBondContact N-O 3.06Å
39	R	97.3	Very high	81.7	Confident	131 Å²	131	90.3 Å²	90.3	49%	0.494	46%	0.455	S	S	.	.			trans	-70.6	158.2	160.9	-61.1	-180	70.7	-172.7	2.8	109.7	S41 E42 A43 D75	R39-S41 VanDerWaalsContact C-N 3.32Å; R39-S41 PolarHBondContact O-N 3.49Å; R39-E42 HydrophobicContact CB-CB 4.44Å; R39-E42 HydrophobicContact CB-CG 4.11Å; R39-E42 WeakPolarHBondContact CB-OE2 3.25Å; R39-E42 PolarHBondContact N-OE2 2.87Å; R39-E42 PolarHBondContact O-N 2.78Å; R39-A43 PolarHBondContact O-N 3.37Å; R39-D75 VanDerWaalsContact CA-OD2 3.31Å; R39-D75 WeakPolarHBondContact CA-OD2 3.44Å; R39-D75 WeakPolarHBondContact CB-OD2 3.28Å
40	V	96.9	Very high	84.2	Confident	0 Å²	0	83 Å²	83	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-60.4	-42.7	177.6	165.5	0	0	0	0	111.3	E42 A43 L44 D75 S77 L82	V40-E42 VanDerWaalsContact C-N 3.31Å; V40-E42 PolarHBondContact O-N 3.4Å; V40-A43 PolarHBondContact O-N 3.28Å; V40-L44 HydrophobicContact CG1-CD1 3.74Å; V40-L44 HydrophobicContact CG1-CG 4.24Å; V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.38Å; V40-L44 PolarHBondContact O-N 3.44Å; V40-D75 WeakPolarHBondContact CB-OD1 3.42Å; V40-D75 HydrophobicContact CG2-CB 4.12Å; V40-D75 PolarHBondContact N-OD2 2.94Å; V40-S77 PolarHBondContact N-OG 3.29Å; V40-L82 HydrophobicContact CG1-CB 4.06Å; V40-L82 HydrophobicContact CG2-CB 4.38Å
41	S	95.8	Very high	86.7	Confident	40 Å²	40	74.5 Å²	74.5	28%	0.28	42%	0.417	S	S	.	.	H	α-helix	trans	-60.2	-39	176.4	59.4	0	0	0	0	113.1	R39 L44 S45 S77	R39-S41 VanDerWaalsContact C-N 3.32Å; R39-S41 PolarHBondContact O-N 3.49Å; S41-L44 PolarHBondContact O-N 2.85Å; S41-S45 PolarHBondContact O-N 3.16Å; S41-S77 WeakPolarHBondContact CB-OG 3.36Å; S41-S77 PolarHBondContact N-OG 3.25Å; S41-S77 WeakPolarHBondContact OG-CB 3.49Å; S41-S77 PolarHBondContact OG-OG 3.47Å
42	E	96.3	Very high	89.1	Confident	89 Å²	89	71 Å²	71	42%	0.416	39%	0.391	S	S	.	.	H	α-helix	trans	-69	-43.3	177.4	-65.5	167.7	160.7	0	0	111	L38 R39 V40 L44 S45	L38-E42 HydrophobicContact CB-CB 4.4Å; L38-E42 HydrophobicContact CD2-CB 4.44Å; R39-E42 HydrophobicContact CB-CB 4.44Å; R39-E42 HydrophobicContact CB-CG 4.11Å; R39-E42 WeakPolarHBondContact CB-OE2 3.25Å; R39-E42 PolarHBondContact N-OE2 2.87Å; R39-E42 PolarHBondContact O-N 2.78Å; V40-E42 VanDerWaalsContact C-N 3.31Å; V40-E42 PolarHBondContact O-N 3.4Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.63Å; E42-S45 WeakPolarHBondContact O-CB 3.39Å; E42-S45 PolarHBondContact O-N 3.05Å; E42-S45 PolarHBondContact O-OG 3.21Å
43	A	95.7	Very high	91.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.8	-44.2	174.9	0	0	0	0	0	111.4	L38 R39 V40 S45 G46 L82 L107	L38-A43 HydrophobicContact CD1-CB 4.43Å; R39-A43 PolarHBondContact O-N 3.37Å; V40-A43 PolarHBondContact O-N 3.28Å; A43-S45 PolarHBondContact O-N 3.32Å; A43-G46 PolarHBondContact O-N 2.98Å; A43-G46 VanDerWaalsContact O-N 3.1Å; A43-L82 HydrophobicContact CB-CD1 4.36Å; A43-L82 HydrophobicContact CB-CD2 3.9Å; A43-L107 HydrophobicContact CB-CD1 4.32Å; A43-L107 HydrophobicContact CB-CD2 4.5Å
44	L	94.8	Very high	93	Very high	21 Å²	21	56 Å²	56	11%	0.11	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-27.5	178.4	-72	169.9	0	0	0	113.5	V40 S41 E42 G46 Q80 L82 V117	V40-L44 HydrophobicContact CG1-CD1 3.74Å; V40-L44 HydrophobicContact CG1-CG 4.24Å; V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.38Å; V40-L44 PolarHBondContact O-N 3.44Å; S41-L44 PolarHBondContact O-N 2.85Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.63Å; L44-G46 PolarHBondContact O-N 2.96Å; L44-Q80 HydrophobicContact CD1-CB 3.67Å; L44-L82 HydrophobicContact CD2-CD1 4.28Å; L44-V117 HydrophobicContact CD2-CG2 4.09Å
45	S	92.9	Very high	93.9	Very high	82 Å²	82	50.2 Å²	50.2	57%	0.573	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-20	175.6	78.5	0	0	0	0	113.7	S41 E42 A43 A47	S41-S45 PolarHBondContact O-N 3.16Å; E42-S45 WeakPolarHBondContact O-CB 3.39Å; E42-S45 PolarHBondContact O-N 3.05Å; E42-S45 PolarHBondContact O-OG 3.21Å; A43-S45 PolarHBondContact O-N 3.32Å; S45-A47 VanDerWaalsContact C-N 3.27Å; S45-A47 PolarHBondContact O-N 2.65Å; S45-A47 WeakPolarHBondContact OG-CB 3.44Å; S45-A47 PolarHBondContact OG-N 3.33Å
46	G	88.6	Confident	94.5	Very high	18 Å²	18	52 Å²	52	19%	0.186	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	7.2	-177.4	0	0	0	0	0	114.9	A43 L44 Q48 L49	A43-G46 PolarHBondContact O-N 2.98Å; A43-G46 VanDerWaalsContact O-N 3.1Å; L44-G46 PolarHBondContact O-N 2.96Å; G46-Q48 PolarHBondContact O-N 2.86Å; G46-L49 WeakPolarHBondContact O-CG 3.1Å; G46-L49 PolarHBondContact O-N 3.05Å
47	A	84.1	Confident	94.7	Very high	74 Å²	74	48.8 Å²	48.8	61%	0.612	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-11.1	-178.2	0	0	0	0	0	115	S45	S45-A47 VanDerWaalsContact C-N 3.27Å; S45-A47 PolarHBondContact O-N 2.65Å; S45-A47 WeakPolarHBondContact OG-CB 3.44Å; S45-A47 PolarHBondContact OG-N 3.33Å
48	Q	89.3	Confident	94.8	Very high	85 Å²	85	47.5 Å²	47.5	40%	0.397	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	33.7	-175.1	-64.1	-66.4	-29.7	0	0	112.6	L38 G46 G50 A51 V53 L107	L38-Q48 HydrophobicContact CD1-CB 3.92Å; L38-Q48 HydrophobicContact CD1-CG 3.97Å; L38-Q48 HydrophobicContact CD2-CG 4.35Å; G46-Q48 PolarHBondContact O-N 2.86Å; Q48-G50 PolarHBondContact O-N 2.88Å; Q48-A51 HydrophobicContact CB-CB 4.21Å; Q48-A51 VanDerWaalsContact O-CB 3.27Å; Q48-A51 WeakPolarHBondContact O-CB 3.46Å; Q48-A51 PolarHBondContact O-N 3.32Å; Q48-A51 VanDerWaalsContact O-N 3.14Å; Q48-V53 HydrophobicContact CB-CG1 4.34Å; Q48-L107 HydrophobicContact CB-CD2 4.36Å
49	L	93.1	Very high	94.9	Very high	88 Å²	88	46.6 Å²	46.6	46%	0.461	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	135.3	176.6	-76.9	173.2	0	0	0	112.1	G46 A51 L107 K109 V117	G46-L49 WeakPolarHBondContact O-CG 3.1Å; G46-L49 PolarHBondContact O-N 3.05Å; L49-A51 PolarHBondContact O-N 3.42Å; L49-L107 HydrophobicContact CD2-CG 4.35Å; L49-K109 HydrophobicContact CD2-CB 4.45Å; L49-V117 HydrophobicContact CD2-CG1 3.96Å
50	G	93.2	Very high	94.8	Very high	59 Å²	59	42.3 Å²	42.3	61%	0.608	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	-4.9	-176.6	0	0	0	0	0	114.6	Q48 L107	Q48-G50 PolarHBondContact O-N 2.88Å; G50-L107 PolarHBondContact N-O 3.09Å
51	A	93.6	Very high	94.7	Very high	25 Å²	25	43.5 Å²	43.5	21%	0.207	26%	0.256	C	S	.	.	S	Bend	trans	-82.9	150.9	177.5	0	0	0	0	0	111.9	Q48 L49 V53 I106 L107	Q48-A51 HydrophobicContact CB-CB 4.21Å; Q48-A51 VanDerWaalsContact O-CB 3.27Å; Q48-A51 WeakPolarHBondContact O-CB 3.46Å; Q48-A51 PolarHBondContact O-N 3.32Å; Q48-A51 VanDerWaalsContact O-N 3.14Å; L49-A51 PolarHBondContact O-N 3.42Å; A51-V53 HydrophobicContact CB-CG1 4.03Å; A51-V53 PolarHBondContact O-N 3.26Å; A51-I106 WeakPolarHBondContact O-CA 3.39Å; A51-L107 PolarHBondContact O-N 3.1Å
52	D	95.8	Very high	94.7	Very high	44 Å²	44	43.5 Å²	43.5	24%	0.235	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	114.4	165	177.3	27.1	0	0	0	109.6	S35 T36 T104 G105 I106	S35-D52 WeakPolarHBondContact CB-OD2 3.28Å; S35-D52 VanDerWaalsContact OG-CG 3.27Å; S35-D52 PolarHBondContact OG-OD1 3.27Å; S35-D52 PolarHBondContact OG-OD2 2.95Å; T36-D52 PolarHBondContact N-O 3.14Å; T36-D52 VanDerWaalsContact N-O 3.16Å; D52-T104 WeakPolarHBondContact OD1-CG2 3.37Å; D52-G105 WeakPolarHBondContact CA-O 3.36Å; D52-I106 HydrophobicContact CB-CD1 3.78Å
53	V	97	Very high	94.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.3	-171.9	-56.5	0	0	0	0	110.9	T36 L38 Q48 A51 T104 G105 L107 L119	T36-V53 CarbonylContact O-C 3.58Å; T36-V53 VanDerWaalsContact O-CA 3.31Å; T36-V53 WeakPolarHBondContact O-CA 3.27Å; L38-V53 HydrophobicContact CD1-CB 4.02Å; L38-V53 HydrophobicContact CD1-CG1 3.62Å; L38-V53 HydrophobicContact CG-CB 4.4Å; L38-V53 HydrophobicContact CG-CG1 4.3Å; Q48-V53 HydrophobicContact CB-CG1 4.34Å; A51-V53 HydrophobicContact CB-CG1 4.03Å; A51-V53 PolarHBondContact O-N 3.26Å; V53-T104 WeakPolarHBondContact O-CA 3.33Å; V53-G105 PolarHBondContact N-O 3.1Å; V53-G105 PolarHBondContact O-N 2.87Å; V53-L107 HydrophobicContact CG1-CB 4.46Å; V53-L107 HydrophobicContact CG2-CB 3.99Å; V53-L119 HydrophobicContact CG2-CD1 3.47Å; V53-L119 VanDerWaalsContact CG2-CD1 3.47Å; V53-L119 HydrophobicContact CG2-CD2 4.36Å
54	K	97.7	Very high	94.6	Very high	51 Å²	51	48.8 Å²	48.8	22%	0.222	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127	173.6	177.2	175.7	60.7	-179.8	0	110	T36 K37 L38 E102 V103	T36-K54 PolarHBondContact O-N 2.75Å; K37-K54 VanDerWaalsContact CA-O 3.3Å; K37-K54 WeakPolarHBondContact CA-O 3.46Å; L38-K54 PolarHBondContact N-O 3.06Å; K54-E102 HydrophobicContact CD-CG 3.84Å; K54-E102 HydrophobicContact CG-CG 3.91Å; K54-V103 CarbonylContact C-O 3.57Å; K54-V103 WeakPolarHBondContact CA-O 3.37Å
55	V	98.1	Very high	94.6	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.7	173.6	-60.1	0	0	0	0	110	L82 I84 E102 V103 L119	V55-L82 HydrophobicContact CB-CD2 4.46Å; V55-L82 HydrophobicContact CG1-CD2 3.83Å; V55-L82 HydrophobicContact CG2-CD2 4.2Å; V55-I84 HydrophobicContact CG2-CD1 4.25Å; V55-E102 WeakPolarHBondContact O-CA 3.42Å; V55-V103 HydrophobicContact CG2-CB 3.86Å; V55-V103 PolarHBondContact N-O 2.89Å; V55-V103 PolarHBondContact O-N 3.3Å; V55-L119 HydrophobicContact CG1-CD2 4.27Å; V55-L119 HydrophobicContact CG2-CD2 3.53Å
56	Q	98.5	Very high	94.5	Very high	64 Å²	64	59.1 Å²	59.1	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.4	177.6	-67.5	177.1	-45.3	0	0	108.6	D75 V101 E102	Q56-D75 WeakPolarHBondContact O-CB 3.18Å; Q56-V101 WeakPolarHBondContact CA-O 3.22Å; Q56-E102 HydrophobicContact CG-CB 4.05Å; Q56-E102 HydrophobicContact CG-CG 3.98Å; Q56-E102 PolarHBondContact NE2-OE2 2.92Å
57	G	98.2	Very high	94.8	Very high	6 Å²	6	63.5 Å²	63.5	6%	0.062	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-163.9	-179.4	0	0	0	0	0	112.3	A100 V101	G57-A100 CarbonylContact O-C 3.57Å; G57-A100 WeakPolarHBondContact O-CA 3.3Å; G57-V101 PolarHBondContact N-O 2.53Å; G57-V101 VanDerWaalsContact N-O 3.1Å; G57-V101 PolarHBondContact O-N 2.83Å
58	W	97.9	Very high	95.3	Very high	101 Å²	101	63.1 Å²	63.1	38%	0.383	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.8	179.8	-64.5	-91.9	0	0	0	111.1	R60 N74 S99	W58-R60 PolarHBondContact O-N 2.99Å; W58-N74 PolarHBondContact N-O 3.21Å; W58-N74 PolarHBondContact O-N 3.46Å; W58-S99 WeakPolarHBondContact CA-O 3.37Å
59	V	97.6	Very high	95.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.7	177.6	175.8	0	0	0	0	109.9	V62 T96 F97 G98 S99 V101	V59-V62 HydrophobicContact CG1-CG2 3.35Å; V59-T96 VanDerWaalsContact CB-O 3.31Å; V59-T96 WeakPolarHBondContact CB-O 3.32Å; V59-T96 WeakPolarHBondContact CG1-O 3.41Å; V59-F97 WeakPolarHBondContact O-CD2 3.4Å; V59-G98 PolarHBondContact O-N 3.33Å; V59-S99 PolarHBondContact N-O 3.25Å; V59-V101 HydrophobicContact CG2-CB 4.47Å; V59-V101 HydrophobicContact CG2-CG1 3.64Å; V59-V101 HydrophobicContact CG2-CG2 3.93Å
60	R	95.6	Very high	95.9	Very high	41 Å²	41	56.3 Å²	56.3	16%	0.155	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-24.4	177.3	-60.5	-53.6	-167.8	168.8	6.4	113.4	W58 H72 N74 F97 R157	W58-R60 PolarHBondContact O-N 2.99Å; R60-H72 HydrophobicContact CB-CB 4.11Å; R60-H72 PolarHBondContact N-O 2.83Å; R60-N74 HydrophobicContact CG-CB 3.64Å; R60-F97 WeakPolarHBondContact O-CD2 3.42Å; R60-F97 VanDerWaalsContact O-CE2 3.24Å; R60-F97 WeakPolarHBondContact O-CE2 3.24Å; R60-R157 PolarHBondContact NH1-O 3.44Å
61	S	95.4	Very high	96	Very high	24 Å²	24	53.5 Å²	53.5	17%	0.168	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	155.1	169.6	68.9	0	0	0	0	110.6	L71 H72	S61-L71 WeakPolarHBondContact O-CA 3.42Å; S61-H72 PolarHBondContact O-N 2.96Å; S61-H72 WeakPolarHBondContact OG-CB 3.4Å
62	V	95.6	Very high	96.2	Very high	41 Å²	41	54.6 Å²	54.6	25%	0.248	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.4	175.8	-175.4	0	0	0	0	107.9	V59 P64 I69 L71 L95	V59-V62 HydrophobicContact CG1-CG2 3.35Å; V62-P64 HydrophobicContact CG1-CG 4.41Å; V62-I69 HydrophobicContact CG1-CD1 3.79Å; V62-I69 HydrophobicContact CG1-CG1 4.25Å; V62-L71 HydrophobicContact CB-CD2 4.02Å; V62-L71 HydrophobicContact CG1-CD2 3.72Å; V62-L71 HydrophobicContact CG2-CD2 3.64Å; V62-L95 WeakPolarHBondContact CG2-O 3.42Å
63	R	95.3	Very high	96.3	Very high	116 Å²	116	52.5 Å²	52.5	44%	0.438	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	92.4	179.1	-65.4	-176.4	-64.9	-153.8	-2.2	109.4	F70 H72	R63-F70 HydrophobicContact CB-CB 4.28Å; R63-F70 PolarHBondContact N-O 2.81Å; R63-F70 PolarHBondContact O-N 2.99Å; R63-H72 PolarHBondContact NH2-NE2 3.06Å
64	P	94.7	Very high	96.3	Very high	84 Å²	84	52.7 Å²	52.7	55%	0.545	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	139.2	171.7	-14.6	30.2	0	0	0	110.3	V62	V62-P64 HydrophobicContact CG1-CG 4.41Å
65	Q	93.9	Very high	96.3	Very high	124 Å²	124	52 Å²	52	58%	0.579	25%	0.25	S	S	*	.			trans	-127.6	179.9	168.3	-65.2	-168.9	-2.1	0	0	109.4	N67 N68 F70	Q65-N67 PolarHBondContact O-N 2.73Å; Q65-N68 CarbonylContact C-O 3.54Å; Q65-N68 WeakPolarHBondContact CA-O 3.49Å; Q65-N68 WeakPolarHBondContact CB-O 3.3Å; Q65-N68 PolarHBondContact N-O 3.21Å; Q65-F70 HydrophobicContact CB-CE2 4.49Å; Q65-F70 VanDerWaalsContact CD-CE2 3.43Å; Q65-F70 HydrophobicContact CG-CD2 4.14Å; Q65-F70 HydrophobicContact CG-CE2 4Å
66	K	91.4	Very high	96.2	Very high	195 Å²	195	53.4 Å²	53.4	85%	0.848	26%	0.264	S	S	*	.	S	Bend	trans	-55	-45.6	-173.4	-170	179.3	178.7	179	0	113.7
67	N	94.6	Very high	96.1	Very high	110 Å²	110	51.1 Å²	51.1	59%	0.588	26%	0.255	S	S	*	.	S	Bend	trans	-115.4	-19.3	-175.7	-63.4	-14.1	0	0	0	113.4	Q65 A88	Q65-N67 PolarHBondContact O-N 2.73Å; N67-A88 WeakPolarHBondContact O-CB 2.99Å; N67-A88 PolarHBondContact O-N 2.92Å
68	N	95.4	Very high	96	Very high	66 Å²	66	51.8 Å²	51.8	35%	0.353	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	157.5	-171.8	-63.1	-26.5	0	0	0	110.7	Q65 F70 A86	Q65-N68 CarbonylContact C-O 3.54Å; Q65-N68 WeakPolarHBondContact CA-O 3.49Å; Q65-N68 WeakPolarHBondContact CB-O 3.3Å; Q65-N68 PolarHBondContact N-O 3.21Å; N68-F70 HydrophobicContact CB-CE2 4.02Å; N68-F70 HydrophobicContact CB-CZ 4.32Å; N68-A86 CarbonylContact C-O 3.58Å; N68-A86 VanDerWaalsContact CA-O 3.24Å; N68-A86 WeakPolarHBondContact CA-O 3.46Å
69	I	96.9	Very high	95.9	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133	167.2	174.3	173.1	0	0	0	109.3	V62 L71 A86 N91 L95	V62-I69 HydrophobicContact CG1-CD1 3.79Å; V62-I69 HydrophobicContact CG1-CG1 4.25Å; I69-L71 HydrophobicContact CD1-CD2 3.87Å; I69-L71 HydrophobicContact CD1-CG 4.41Å; I69-L71 HydrophobicContact CG1-CD2 4.06Å; I69-L71 HydrophobicContact CG1-CG 4.26Å; I69-A86 HydrophobicContact CG2-CB 3.74Å; I69-A86 PolarHBondContact N-O 3.06Å; I69-A86 PolarHBondContact O-N 2.91Å; I69-N91 HydrophobicContact CD1-CB 3.9Å; I69-N91 WeakPolarHBondContact CD1-OD1 3.32Å; I69-N91 HydrophobicContact CG2-CB 4.42Å; I69-L95 HydrophobicContact CD1-CD1 4.4Å
70	F	96.4	Very high	95.8	Very high	30 Å²	30	52 Å²	52	13%	0.132	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.2	175.2	-60.6	-92.8	0	0	0	109.5	R63 Q65 N68 I84 V85	R63-F70 HydrophobicContact CB-CB 4.28Å; R63-F70 PolarHBondContact N-O 2.81Å; R63-F70 PolarHBondContact O-N 2.99Å; Q65-F70 HydrophobicContact CB-CE2 4.49Å; Q65-F70 VanDerWaalsContact CD-CE2 3.43Å; Q65-F70 HydrophobicContact CG-CD2 4.14Å; Q65-F70 HydrophobicContact CG-CE2 4Å; N68-F70 HydrophobicContact CB-CE2 4.02Å; N68-F70 HydrophobicContact CB-CZ 4.32Å; F70-I84 WeakPolarHBondContact CA-O 3.36Å; F70-V85 HydrophobicContact CD1-CG1 4.46Å; F70-V85 HydrophobicContact CD1-CG2 3.95Å; F70-V85 HydrophobicContact CE1-CB 4.49Å; F70-V85 HydrophobicContact CE1-CG1 3.99Å; F70-V85 HydrophobicContact CE1-CG2 3.87Å; F70-V85 HydrophobicContact CZ-CG1 4.49Å
71	L	96.7	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.3	174	-50.5	165	0	0	0	109.4	S61 V62 I69 V73 Q83 I84 L95 I124	S61-L71 WeakPolarHBondContact O-CA 3.42Å; V62-L71 HydrophobicContact CB-CD2 4.02Å; V62-L71 HydrophobicContact CG1-CD2 3.72Å; V62-L71 HydrophobicContact CG2-CD2 3.64Å; I69-L71 HydrophobicContact CD1-CD2 3.87Å; I69-L71 HydrophobicContact CD1-CG 4.41Å; I69-L71 HydrophobicContact CG1-CD2 4.06Å; I69-L71 HydrophobicContact CG1-CG 4.26Å; L71-V73 HydrophobicContact CB-CG2 4.44Å; L71-Q83 CarbonylContact O-C 3.53Å; L71-Q83 WeakPolarHBondContact O-CA 3.41Å; L71-I84 HydrophobicContact CB-CB 3.96Å; L71-I84 HydrophobicContact CB-CG1 4.12Å; L71-I84 HydrophobicContact CD1-CB 4.43Å; L71-I84 HydrophobicContact CD1-CG2 4.49Å; L71-I84 PolarHBondContact N-O 3.47Å; L71-I84 PolarHBondContact O-N 3.18Å; L71-L95 HydrophobicContact CD1-CD1 4.42Å; L71-I124 HydrophobicContact CD1-CD1 3.71Å
72	H	97.1	Very high	95.9	Very high	48 Å²	48	50.2 Å²	50.2	22%	0.222	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.7	160.8	-76.1	-163.9	0	0	0	107.7	R60 S61 R63 L82	R60-H72 HydrophobicContact CB-CB 4.11Å; R60-H72 PolarHBondContact N-O 2.83Å; S61-H72 PolarHBondContact O-N 2.96Å; S61-H72 WeakPolarHBondContact OG-CB 3.4Å; R63-H72 PolarHBondContact NH2-NE2 3.06Å; H72-L82 WeakPolarHBondContact CA-O 3.17Å
73	V	97.9	Very high	95.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.5	177.7	177.6	0	0	0	0	109.2	L71 S81 L82 I84 V101	L71-V73 HydrophobicContact CB-CG2 4.44Å; V73-S81 WeakPolarHBondContact O-CA 3.2Å; V73-L82 PolarHBondContact N-O 2.92Å; V73-L82 PolarHBondContact O-N 3.19Å; V73-I84 HydrophobicContact CB-CD1 4.43Å; V73-I84 HydrophobicContact CB-CG1 4.25Å; V73-I84 HydrophobicContact CG2-CD1 4.3Å; V73-I84 HydrophobicContact CG2-CG1 3.68Å; V73-V101 HydrophobicContact CG1-CG2 4.04Å; V73-V101 HydrophobicContact CG2-CG2 3.77Å
74	N	97.3	Very high	96.1	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.8	178.9	-178.1	-85.3	0	0	0	110.2	W58 R60 G76 S78 Q80	W58-N74 PolarHBondContact N-O 3.21Å; W58-N74 PolarHBondContact O-N 3.46Å; R60-N74 HydrophobicContact CG-CB 3.64Å; N74-G76 PolarHBondContact OD1-N 2.97Å; N74-S78 PolarHBondContact ND2-O 3.4Å; N74-Q80 PolarHBondContact ND2-O 3.38Å
75	D	97.3	Very high	96.2	Very high	37 Å²	37	40.2 Å²	40.2	20%	0.198	21%	0.208	C	C	.	.			trans	-112.1	7.8	-176.4	68.7	-6.4	0	0	0	112.4	R39 V40 Q56 S77	R39-D75 VanDerWaalsContact CA-OD2 3.31Å; R39-D75 WeakPolarHBondContact CA-OD2 3.44Å; R39-D75 WeakPolarHBondContact CB-OD2 3.28Å; V40-D75 WeakPolarHBondContact CB-OD1 3.42Å; V40-D75 HydrophobicContact CG2-CB 4.12Å; V40-D75 PolarHBondContact N-OD2 2.94Å; Q56-D75 WeakPolarHBondContact O-CB 3.18Å; D75-S77 VanDerWaalsContact C-N 3.31Å; D75-S77 VanDerWaalsContact CG-OG 3.32Å; D75-S77 PolarHBondContact O-N 3.3Å; D75-S77 WeakPolarHBondContact OD1-CB 3.38Å; D75-S77 PolarHBondContact OD1-N 2.79Å; D75-S77 PolarHBondContact OD1-OG 2.61Å; D75-S77 PolarHBondContact OD2-OG 3.19Å
76	G	96.6	Very high	96.3	Very high	29 Å²	29	34.5 Å²	34.5	30%	0.299	18%	0.182	S	C	.	.	S	Bend	trans	82.2	-5.8	-175.7	0	0	0	0	0	115.5	N74 S78 R166	N74-G76 PolarHBondContact OD1-N 2.97Å; G76-S78 VanDerWaalsContact C-N 3.28Å; G76-S78 PolarHBondContact O-N 3.39Å; G76-R166 PolarHBondContact O-NH1 2.81Å
77	S	96.8	Very high	96.6	Very high	17 Å²	17	28.7 Å²	28.7	12%	0.119	16%	0.161	C	C	.	.	S	Bend	trans	-71.3	-19.2	179.1	65.8	0	0	0	0	114.7	V40 S41 D75	V40-S77 PolarHBondContact N-OG 3.29Å; S41-S77 WeakPolarHBondContact CB-OG 3.36Å; S41-S77 PolarHBondContact N-OG 3.25Å; S41-S77 WeakPolarHBondContact OG-CB 3.49Å; S41-S77 PolarHBondContact OG-OG 3.47Å; D75-S77 VanDerWaalsContact C-N 3.31Å; D75-S77 VanDerWaalsContact CG-OG 3.32Å; D75-S77 PolarHBondContact O-N 3.3Å; D75-S77 WeakPolarHBondContact OD1-CB 3.38Å; D75-S77 PolarHBondContact OD1-N 2.79Å; D75-S77 PolarHBondContact OD1-OG 2.61Å; D75-S77 PolarHBondContact OD2-OG 3.19Å
78	S	95.4	Very high	96.7	Very high	19 Å²	19	25.2 Å²	25.2	13%	0.133	15%	0.148	C	C	.	.			trans	-145.5	160.3	176.8	174.2	0	0	0	0	109.5	N74 G76 Q80	N74-S78 PolarHBondContact ND2-O 3.4Å; G76-S78 VanDerWaalsContact C-N 3.28Å; G76-S78 PolarHBondContact O-N 3.39Å; S78-Q80 VanDerWaalsContact C-N 3.35Å; S78-Q80 PolarHBondContact OG-N 2.86Å; S78-Q80 VanDerWaalsContact OG-N 3.07Å
79	L	95.4	Very high	96.7	Very high	33 Å²	33	30.9 Å²	30.9	17%	0.173	17%	0.169	C	C	.	.	S	Bend	trans	-65.7	-40.7	165.7	176.8	56.4	0	0	0	111.4	N159 E302 L306	L79-N159 HydrophobicContact CD1-CB 3.95Å; L79-E302 HydrophobicContact CD2-CB 4.45Å; L79-E302 WeakPolarHBondContact CD2-O 3.49Å; L79-L306 HydrophobicContact CD1-CD1 3.52Å; L79-L306 HydrophobicContact CD2-CB 3.89Å; L79-L306 HydrophobicContact CD2-CD1 3.73Å; L79-L306 HydrophobicContact CD2-CG 4.46Å; L79-L306 HydrophobicContact CG-CD1 4.27Å
80	Q	94.9	Very high	96.6	Very high	72 Å²	72	33.4 Å²	33.4	34%	0.336	18%	0.182	S	C	.	.	S	Bend	trans	-70.3	141.7	179.9	-67.5	-178.4	26.4	0	0	111	L44 N74 S78 E302	L44-Q80 HydrophobicContact CD1-CB 3.67Å; N74-Q80 PolarHBondContact ND2-O 3.38Å; S78-Q80 VanDerWaalsContact C-N 3.35Å; S78-Q80 PolarHBondContact OG-N 2.86Å; S78-Q80 VanDerWaalsContact OG-N 3.07Å; Q80-E302 WeakPolarHBondContact CG-OE2 3.4Å; Q80-E302 PolarHBondContact NE2-OE1 3Å; Q80-E302 PolarHBondContact NE2-OE2 3.18Å
81	S	95.9	Very high	96.5	Very high	29 Å²	29	35.2 Å²	35.2	20%	0.203	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-93	145.5	171.5	-56	0	0	0	0	109.7	V73	V73-S81 WeakPolarHBondContact O-CA 3.2Å
82	L	97.3	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.8	168.3	-178.2	63.7	0	0	0	108.8	V40 A43 L44 V55 H72 V73 I84 L107 V117 L119	V40-L82 HydrophobicContact CG1-CB 4.06Å; V40-L82 HydrophobicContact CG2-CB 4.38Å; A43-L82 HydrophobicContact CB-CD1 4.36Å; A43-L82 HydrophobicContact CB-CD2 3.9Å; L44-L82 HydrophobicContact CD2-CD1 4.28Å; V55-L82 HydrophobicContact CB-CD2 4.46Å; V55-L82 HydrophobicContact CG1-CD2 3.83Å; V55-L82 HydrophobicContact CG2-CD2 4.2Å; H72-L82 WeakPolarHBondContact CA-O 3.17Å; V73-L82 PolarHBondContact N-O 2.92Å; V73-L82 PolarHBondContact O-N 3.19Å; L82-I84 HydrophobicContact CD2-CD1 4.08Å; L82-I84 HydrophobicContact CG-CD1 4.09Å; L82-L107 HydrophobicContact CD1-CD1 4.29Å; L82-V117 HydrophobicContact CD1-CG2 3.84Å; L82-L119 HydrophobicContact CD2-CB 4.1Å; L82-L119 HydrophobicContact CD2-CD2 4.41Å; L82-L119 HydrophobicContact CG-CB 4.48Å
83	Q	97.4	Very high	96.2	Very high	11 Å²	11	41.8 Å²	41.8	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.7	169.5	179.6	167.9	-89.6	0	0	109.6	L71 V85 Q115 E118 L119	L71-Q83 CarbonylContact O-C 3.53Å; L71-Q83 WeakPolarHBondContact O-CA 3.41Å; Q83-V85 HydrophobicContact CG-CG2 4.31Å; Q83-Q115 HydrophobicContact CB-CG 4.42Å; Q83-Q115 VanDerWaalsContact OE1-OE1 3.09Å; Q83-E118 HydrophobicContact CB-CB 4.45Å; Q83-E118 PolarHBondContact NE2-OE2 2.92Å; Q83-E118 WeakPolarHBondContact O-CA 3.31Å; Q83-L119 PolarHBondContact O-N 2.84Å
84	I	97.9	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.3	170.6	-43.5	-57.6	0	0	0	107.5	V55 F70 L71 V73 L82 V103 L119 A121	V55-I84 HydrophobicContact CG2-CD1 4.25Å; F70-I84 WeakPolarHBondContact CA-O 3.36Å; L71-I84 HydrophobicContact CB-CB 3.96Å; L71-I84 HydrophobicContact CB-CG1 4.12Å; L71-I84 HydrophobicContact CD1-CB 4.43Å; L71-I84 HydrophobicContact CD1-CG2 4.49Å; L71-I84 PolarHBondContact N-O 3.47Å; L71-I84 PolarHBondContact O-N 3.18Å; V73-I84 HydrophobicContact CB-CD1 4.43Å; V73-I84 HydrophobicContact CB-CG1 4.25Å; V73-I84 HydrophobicContact CG2-CD1 4.3Å; V73-I84 HydrophobicContact CG2-CG1 3.68Å; L82-I84 HydrophobicContact CD2-CD1 4.08Å; L82-I84 HydrophobicContact CG-CD1 4.09Å; I84-V103 HydrophobicContact CD1-CG1 4.35Å; I84-V103 HydrophobicContact CG2-CG1 3.76Å; I84-L119 CarbonylContact C-O 3.53Å; I84-L119 WeakPolarHBondContact CA-O 3.37Å; I84-L119 HydrophobicContact CD1-CB 3.75Å; I84-L119 HydrophobicContact CD1-CD2 3.93Å; I84-L119 HydrophobicContact CD1-CG 4.3Å; I84-A121 HydrophobicContact CG2-CB 3.61Å
85	V	97.2	Very high	96	Very high	19 Å²	19	45.2 Å²	45.2	12%	0.115	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.3	171.2	-174	0	0	0	0	107.1	F70 Q83 E118 L119 E120 A121	F70-V85 HydrophobicContact CD1-CG1 4.46Å; F70-V85 HydrophobicContact CD1-CG2 3.95Å; F70-V85 HydrophobicContact CE1-CB 4.49Å; F70-V85 HydrophobicContact CE1-CG1 3.99Å; F70-V85 HydrophobicContact CE1-CG2 3.87Å; F70-V85 HydrophobicContact CZ-CG1 4.49Å; Q83-V85 HydrophobicContact CG-CG2 4.31Å; V85-E118 HydrophobicContact CG2-CB 4.26Å; V85-E118 HydrophobicContact CG2-CG 4.3Å; V85-L119 PolarHBondContact N-O 3.09Å; V85-E120 CarbonylContact O-C 3.6Å; V85-E120 WeakPolarHBondContact O-CA 3.48Å; V85-A121 PolarHBondContact O-N 3.27Å
86	A	97.4	Very high	96	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.2	-178.5	0	0	0	0	0	110.9	N68 I69 L90 A121 I124	N68-A86 CarbonylContact C-O 3.58Å; N68-A86 VanDerWaalsContact CA-O 3.24Å; N68-A86 WeakPolarHBondContact CA-O 3.46Å; I69-A86 HydrophobicContact CG2-CB 3.74Å; I69-A86 PolarHBondContact N-O 3.06Å; I69-A86 PolarHBondContact O-N 2.91Å; A86-L90 HydrophobicContact CB-CB 4.34Å; A86-L90 HydrophobicContact CB-CD1 4.11Å; A86-A121 HydrophobicContact CB-CB 3.9Å; A86-I124 HydrophobicContact CB-CD1 3.7Å
87	D	97.3	Very high	95.9	Very high	73 Å²	73	44.8 Å²	44.8	39%	0.39	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	143.2	170.7	-174.6	-62.2	0	0	0	109.7	K89 L90	D87-K89 PolarHBondContact O-N 3.13Å; D87-K89 VanDerWaalsContact OD1-CB 3.3Å; D87-K89 WeakPolarHBondContact OD1-CB 3.12Å; D87-K89 WeakPolarHBondContact OD1-CD 3.31Å; D87-K89 WeakPolarHBondContact OD1-CG 3.48Å; D87-K89 PolarHBondContact OD1-N 3.32Å; D87-L90 WeakPolarHBondContact O-CB 3.4Å; D87-L90 PolarHBondContact O-N 2.77Å
88	A	95.2	Very high	95.8	Very high	38 Å²	38	44.4 Å²	44.4	31%	0.314	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55.4	-23.3	179.1	0	0	0	0	0	113.9	N67 L90 N91	N67-A88 WeakPolarHBondContact O-CB 2.99Å; N67-A88 PolarHBondContact O-N 2.92Å; A88-L90 PolarHBondContact O-N 2.94Å; A88-N91 WeakPolarHBondContact O-CB 3.42Å; A88-N91 PolarHBondContact O-N 3.03Å; A88-N91 VanDerWaalsContact O-N 3.13Å
89	K	95.7	Very high	95.9	Very high	185 Å²	185	43.5 Å²	43.5	80%	0.804	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-63.5	-23.8	173.6	-66.8	165.4	-169.8	163.8	0	113.7	D87 N91	D87-K89 PolarHBondContact O-N 3.13Å; D87-K89 VanDerWaalsContact OD1-CB 3.3Å; D87-K89 WeakPolarHBondContact OD1-CB 3.12Å; D87-K89 WeakPolarHBondContact OD1-CD 3.31Å; D87-K89 WeakPolarHBondContact OD1-CG 3.48Å; D87-K89 PolarHBondContact OD1-N 3.32Å; K89-N91 VanDerWaalsContact C-N 3.26Å
90	L	95	Very high	96.1	Very high	54 Å²	54	42.9 Å²	42.9	28%	0.283	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-86.3	3.8	177	-60.6	179.4	0	0	0	112.6	A86 D87 A88 D92 I124	A86-L90 HydrophobicContact CB-CB 4.34Å; A86-L90 HydrophobicContact CB-CD1 4.11Å; D87-L90 WeakPolarHBondContact O-CB 3.4Å; D87-L90 PolarHBondContact O-N 2.77Å; A88-L90 PolarHBondContact O-N 2.94Å; L90-D92 PolarHBondContact O-N 2.96Å; L90-I124 HydrophobicContact CB-CD1 4.17Å
91	N	94.4	Very high	96.3	Very high	67 Å²	67	39.7 Å²	39.7	36%	0.358	22%	0.222	S	C	.	.			trans	-77.3	88.3	177.1	-175	28.3	0	0	0	111.4	I69 A88 K89	I69-N91 HydrophobicContact CD1-CB 3.9Å; I69-N91 WeakPolarHBondContact CD1-OD1 3.32Å; I69-N91 HydrophobicContact CG2-CB 4.42Å; A88-N91 WeakPolarHBondContact O-CB 3.42Å; A88-N91 PolarHBondContact O-N 3.03Å; A88-N91 VanDerWaalsContact O-N 3.13Å; K89-N91 VanDerWaalsContact C-N 3.26Å
92	D	93.4	Very high	96.4	Very high	68 Å²	68	39.4 Å²	39.4	36%	0.364	22%	0.218	S	C	.	.			trans	-74.2	131.1	169.4	-173.6	-36.1	0	0	0	110.3	L90 L94 L95	L90-D92 PolarHBondContact O-N 2.96Å; D92-L94 PolarHBondContact O-N 3.21Å; D92-L94 VanDerWaalsContact OD1-CB 3.27Å; D92-L94 WeakPolarHBondContact OD1-CB 3.33Å; D92-L94 WeakPolarHBondContact OD1-CG 3.33Å; D92-L94 PolarHBondContact OD1-N 2.73Å; D92-L95 HydrophobicContact CB-CD1 4.15Å; D92-L95 HydrophobicContact CB-CG 4.09Å; D92-L95 VanDerWaalsContact O-CB 3.22Å; D92-L95 WeakPolarHBondContact O-CB 3.5Å; D92-L95 PolarHBondContact O-N 2.78Å
93	P	93.8	Very high	96.4	Very high	119 Å²	119	39.4 Å²	39.4	77%	0.773	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.8	174.8	-26.7	35.3	0	0	0	115.2	L95	P93-L95 VanDerWaalsContact C-N 3.26Å
94	L	95.7	Very high	96.5	Very high	66 Å²	66	39.7 Å²	39.7	35%	0.346	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8	175.8	-57.5	176.9	0	0	0	113.1	D92 T96 S99 V126 E129	D92-L94 PolarHBondContact O-N 3.21Å; D92-L94 VanDerWaalsContact OD1-CB 3.27Å; D92-L94 WeakPolarHBondContact OD1-CB 3.33Å; D92-L94 WeakPolarHBondContact OD1-CG 3.33Å; D92-L94 PolarHBondContact OD1-N 2.73Å; L94-T96 PolarHBondContact O-N 3.03Å; L94-S99 PolarHBondContact O-OG 2.9Å; L94-V126 HydrophobicContact CB-CB 4.39Å; L94-V126 HydrophobicContact CB-CG1 4.16Å; L94-V126 HydrophobicContact CB-CG2 4.07Å; L94-E129 HydrophobicContact CB-CG 4.48Å; L94-E129 HydrophobicContact CD1-CG 4.19Å; L94-E129 HydrophobicContact CD2-CG 4.17Å
95	L	96.6	Very high	96.4	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	22%	0.22	C	C	.	.			trans	-73.1	81.4	168.8	-67.3	170.3	0	0	0	110	V62 I69 L71 D92 P93 V101 I124 V126	V62-L95 WeakPolarHBondContact CG2-O 3.42Å; I69-L95 HydrophobicContact CD1-CD1 4.4Å; L71-L95 HydrophobicContact CD1-CD1 4.42Å; D92-L95 HydrophobicContact CB-CD1 4.15Å; D92-L95 HydrophobicContact CB-CG 4.09Å; D92-L95 VanDerWaalsContact O-CB 3.22Å; D92-L95 WeakPolarHBondContact O-CB 3.5Å; D92-L95 PolarHBondContact O-N 2.78Å; P93-L95 VanDerWaalsContact C-N 3.26Å; L95-V101 HydrophobicContact CD2-CG1 3.57Å; L95-I124 HydrophobicContact CD1-CG2 4.08Å; L95-I124 HydrophobicContact CD2-CG2 3.66Å; L95-I124 HydrophobicContact CG-CG2 4.44Å; L95-V126 HydrophobicContact CD2-CG2 3.62Å; L95-V126 HydrophobicContact CG-CG2 3.95Å
96	T	96.1	Very high	96.4	Very high	30 Å²	30	40.7 Å²	40.7	18%	0.184	23%	0.225	C	C	.	.			trans	-114.6	167.3	177.2	61.2	0	0	0	0	110.3	V59 L94 G98 S99 C130 P132	V59-T96 VanDerWaalsContact CB-O 3.31Å; V59-T96 WeakPolarHBondContact CB-O 3.32Å; V59-T96 WeakPolarHBondContact CG1-O 3.41Å; L94-T96 PolarHBondContact O-N 3.03Å; T96-G98 PolarHBondContact O-N 2.7Å; T96-S99 WeakPolarHBondContact O-CB 3.46Å; T96-S99 PolarHBondContact O-N 3.31Å; T96-S99 PolarHBondContact OG1-OG 2.91Å; T96-C130 PolarHBondContact OG1-O 2.79Å; T96-P132 HydrophobicContact CG2-CG 4.32Å
97	F	95.5	Very high	96.4	Very high	28 Å²	28	40.5 Å²	40.5	12%	0.123	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	130.1	173	175.2	-106	0	0	0	111.4	V59 R60 S99 F135 F137 I139	V59-F97 WeakPolarHBondContact O-CD2 3.4Å; R60-F97 WeakPolarHBondContact O-CD2 3.42Å; R60-F97 VanDerWaalsContact O-CE2 3.24Å; R60-F97 WeakPolarHBondContact O-CE2 3.24Å; F97-S99 VanDerWaalsContact C-N 3.32Å; F97-F135 AromaticContact CD1-CD1 3.86Å; F97-F135 HydrophobicContact CD1-CD1 3.86Å; F97-F135 HydrophobicContact CD1-CE1 4.13Å; F97-F135 AromaticContact CE1-CD1 3.64Å; F97-F135 HydrophobicContact CE1-CD1 3.64Å; F97-F135 AromaticContact CE1-CE1 3.54Å; F97-F135 HydrophobicContact CE1-CE1 3.54Å; F97-F135 HydrophobicContact CZ-CE1 4.37Å; F97-F137 VanDerWaalsContact CE1-O 3.24Å; F97-F137 WeakPolarHBondContact CE1-O 3.32Å; F97-I139 HydrophobicContact CB-CD1 3.35Å; F97-I139 HydrophobicContact CB-CG1 3.51Å; F97-I139 HydrophobicContact CD1-CD1 4.41Å; F97-I139 HydrophobicContact CD1-CG1 3.63Å; F97-I139 HydrophobicContact CD2-CD1 4.23Å; F97-I139 HydrophobicContact CD2-CG1 3.61Å; F97-I139 HydrophobicContact CE1-CG1 4.17Å; F97-I139 HydrophobicContact CE2-CG1 4.14Å; F97-I139 HydrophobicContact CG-CD1 3.79Å; F97-I139 HydrophobicContact CG-CG1 3.31Å; F97-I139 HydrophobicContact CZ-CG1 4.4Å
98	G	95.3	Very high	96.4	Very high	8 Å²	8	40.7 Å²	40.7	8%	0.082	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-7.4	-177.6	0	0	0	0	0	114.6	V59 T96 C130	V59-G98 PolarHBondContact O-N 3.33Å; T96-G98 PolarHBondContact O-N 2.7Å; G98-C130 WeakPolarHBondContact O-CB 3.39Å
99	S	97.3	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.			trans	-64.2	140.1	173.1	-72.5	0	0	0	0	110.6	W58 V59 L94 T96 F97 G128 C130	W58-S99 WeakPolarHBondContact CA-O 3.37Å; V59-S99 PolarHBondContact N-O 3.25Å; L94-S99 PolarHBondContact O-OG 2.9Å; T96-S99 WeakPolarHBondContact O-CB 3.46Å; T96-S99 PolarHBondContact O-N 3.31Å; T96-S99 PolarHBondContact OG1-OG 2.91Å; F97-S99 VanDerWaalsContact C-N 3.32Å; S99-G128 CarbonylContact C-O 3.57Å; S99-G128 WeakPolarHBondContact CA-O 3.31Å; S99-C130 PolarHBondContact OG-N 3.21Å; S99-C130 VanDerWaalsContact OG-N 3.14Å
100	A	98.4	Very high	96.2	Very high	21 Å²	21	38.5 Å²	38.5	17%	0.174	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.9	172	0	0	0	0	0	109.3	G57 V127 G128	G57-A100 CarbonylContact O-C 3.57Å; G57-A100 WeakPolarHBondContact O-CA 3.3Å; A100-V127 HydrophobicContact CB-CB 4.48Å; A100-V127 PolarHBondContact O-N 3.47Å; A100-G128 PolarHBondContact N-O 3.34Å; A100-G128 PolarHBondContact O-N 2.85Å
101	V	98.6	Very high	95.8	Very high	4 Å²	4	41 Å²	41	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.8	-174.9	-64.3	0	0	0	0	111.6	Q56 G57 V59 V73 L95 V103 R125 V126	Q56-V101 WeakPolarHBondContact CA-O 3.22Å; G57-V101 PolarHBondContact N-O 2.53Å; G57-V101 VanDerWaalsContact N-O 3.1Å; G57-V101 PolarHBondContact O-N 2.83Å; V59-V101 HydrophobicContact CG2-CB 4.47Å; V59-V101 HydrophobicContact CG2-CG1 3.64Å; V59-V101 HydrophobicContact CG2-CG2 3.93Å; V73-V101 HydrophobicContact CG1-CG2 4.04Å; V73-V101 HydrophobicContact CG2-CG2 3.77Å; L95-V101 HydrophobicContact CD2-CG1 3.57Å; V101-V103 HydrophobicContact CB-CG2 4.4Å; V101-V103 HydrophobicContact CG2-CG2 4.08Å; V101-R125 CarbonylContact C-O 3.49Å; V101-R125 VanDerWaalsContact CA-O 3.32Å; V101-R125 WeakPolarHBondContact CA-O 3.43Å; V101-V126 HydrophobicContact CG1-CG2 4.43Å
102	E	98.4	Very high	95.4	Very high	23 Å²	23	43.1 Å²	43.1	11%	0.107	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.2	162	177	175.9	102.4	0	0	107.9	K54 V55 Q56 R125 V127	K54-E102 HydrophobicContact CD-CG 3.84Å; K54-E102 HydrophobicContact CG-CG 3.91Å; V55-E102 WeakPolarHBondContact O-CA 3.42Å; Q56-E102 HydrophobicContact CG-CB 4.05Å; Q56-E102 HydrophobicContact CG-CG 3.98Å; Q56-E102 PolarHBondContact NE2-OE2 2.92Å; E102-R125 HydrophobicContact CB-CB 4.46Å; E102-R125 PolarHBondContact N-O 3.4Å; E102-R125 PolarHBondContact O-N 3.47Å; E102-R125 IonicContact OE1-CZ 3.05Å; E102-R125 IonicContact OE1-NH1 3.03Å; E102-R125 PolarHBondContact OE1-NH1 2.79Å; E102-R125 IonicContact OE1-NH2 3.12Å; E102-R125 PolarHBondContact OE1-NH2 2.69Å; E102-R125 IonicContact OE2-CZ 2.63Å; E102-R125 IonicContact OE2-NH1 2.9Å; E102-R125 IonicContact OE2-NH2 3.79Å; E102-R125 PolarHBondContact OE2-NH2 3.1Å; E102-V127 HydrophobicContact CB-CG2 3.99Å
103	V	98.4	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130	-179.3	-174.7	0	0	0	0	108.8	K54 V55 I84 V101 L119 A121 Q123 I124	K54-V103 CarbonylContact C-O 3.57Å; K54-V103 WeakPolarHBondContact CA-O 3.37Å; V55-V103 HydrophobicContact CG2-CB 3.86Å; V55-V103 PolarHBondContact N-O 2.89Å; V55-V103 PolarHBondContact O-N 3.3Å; I84-V103 HydrophobicContact CD1-CG1 4.35Å; I84-V103 HydrophobicContact CG2-CG1 3.76Å; V101-V103 HydrophobicContact CB-CG2 4.4Å; V101-V103 HydrophobicContact CG2-CG2 4.08Å; V103-L119 HydrophobicContact CB-CD2 4.27Å; V103-L119 HydrophobicContact CG1-CD2 3.82Å; V103-L119 HydrophobicContact CG1-CG 4.49Å; V103-A121 HydrophobicContact CG1-CB 3.61Å; V103-Q123 WeakPolarHBondContact CA-O 3.34Å; V103-I124 HydrophobicContact CG1-CG1 4.04Å; V103-I124 HydrophobicContact CG2-CG1 4.18Å; V103-I124 HydrophobicContact CG2-CG2 4.3Å
104	T	98.1	Very high	93.7	Very high	17 Å²	17	53.8 Å²	53.8	10%	0.104	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.2	175.2	-54	0	0	0	0	109.6	S35 D52 V53 E122 Q123	S35-T104 WeakPolarHBondContact OG-CG2 3.43Å; D52-T104 WeakPolarHBondContact OD1-CG2 3.37Å; V53-T104 WeakPolarHBondContact O-CA 3.33Å; T104-E122 PolarHBondContact O-N 2.91Å; T104-Q123 PolarHBondContact N-O 3.35Å; T104-Q123 PolarHBondContact O-N 2.84Å; T104-Q123 VanDerWaalsContact O-N 3.09Å
105	G	97.1	Very high	93.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-164.5	177.2	0	0	0	0	0	113.2	D52 V53 L119 E120	D52-G105 WeakPolarHBondContact CA-O 3.36Å; V53-G105 PolarHBondContact N-O 3.1Å; V53-G105 PolarHBondContact O-N 2.87Å; G105-L119 VanDerWaalsContact C-CD1 3.42Å; G105-L119 WeakPolarHBondContact O-CD1 3.36Å; G105-E120 CarbonylContact C-O 3.59Å; G105-E120 VanDerWaalsContact CA-O 3.28Å; G105-E120 WeakPolarHBondContact CA-O 3.35Å
106	I	97.4	Very high	92.6	Very high	40 Å²	40	55 Å²	55	21%	0.205	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.4	-172.7	-52.4	-55.9	0	0	0	111.1	A51 D52 K108 E120	A51-I106 WeakPolarHBondContact O-CA 3.39Å; D52-I106 HydrophobicContact CB-CD1 3.78Å; I106-K108 HydrophobicContact CG2-CG 4.12Å; I106-K108 PolarHBondContact O-N 2.86Å; I106-E120 PolarHBondContact N-O 2.87Å; I106-E120 PolarHBondContact O-N 2.95Å
107	L	97.1	Very high	92.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.4	174.7	-169.9	69.1	0	0	0	109.9	A43 Q48 L49 G50 A51 V53 L82 V117 L119	A43-L107 HydrophobicContact CB-CD1 4.32Å; A43-L107 HydrophobicContact CB-CD2 4.5Å; Q48-L107 HydrophobicContact CB-CD2 4.36Å; L49-L107 HydrophobicContact CD2-CG 4.35Å; G50-L107 PolarHBondContact N-O 3.09Å; A51-L107 PolarHBondContact O-N 3.1Å; V53-L107 HydrophobicContact CG1-CB 4.46Å; V53-L107 HydrophobicContact CG2-CB 3.99Å; L82-L107 HydrophobicContact CD1-CD1 4.29Å; L107-V117 HydrophobicContact CD1-CB 4.26Å; L107-V117 HydrophobicContact CD1-CG2 4.32Å; L107-L119 HydrophobicContact CB-CD1 4.49Å
108	K	96.3	Very high	92.7	Very high	78 Å²	78	53.5 Å²	53.5	34%	0.339	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	159.6	-177.5	-66.5	-173.5	-177.5	178.4	0	111.4	I106 V117 E118 E120	I106-K108 HydrophobicContact CG2-CG 4.12Å; I106-K108 PolarHBondContact O-N 2.86Å; K108-V117 CarbonylContact O-C 3.52Å; K108-V117 VanDerWaalsContact O-CA 3.25Å; K108-V117 WeakPolarHBondContact O-CA 3.49Å; K108-E118 PolarHBondContact N-O 3.4Å; K108-E118 PolarHBondContact O-N 2.82Å; K108-E120 HydrophobicContact CD-CB 4.32Å; K108-E120 WeakPolarHBondContact CD-OE2 3.48Å; K108-E120 VanDerWaalsContact CE-OE2 3.28Å; K108-E120 WeakPolarHBondContact CE-OE2 3.39Å; K108-E120 IonicContact NZ-OE1 3.2Å; K108-E120 PolarHBondContact NZ-OE1 3.49Å; K108-E120 IonicContact NZ-OE2 3.81Å; K108-E120 PolarHBondContact NZ-OE2 3.43Å
109	K	95	Very high	92.8	Very high	166 Å²	166	53.1 Å²	53.1	72%	0.722	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.6	167.2	-174.7	173.4	-176.6	177.5	0	107.6	L49	L49-K109 HydrophobicContact CD2-CB 4.45Å
110	S	91.9	Very high	92.8	Very high	10 Å²	10	57.3 Å²	57.3	7%	0.07	28%	0.283	C	S	.	.			trans	-73.4	148.4	178	-166.3	0	0	0	0	110.1	H112 Q115 P116 E118	S110-H112 PolarHBondContact O-N 3.03Å; S110-H112 PolarHBondContact OG-N 3.05Å; S110-Q115 WeakPolarHBondContact CB-O 3.2Å; S110-Q115 PolarHBondContact OG-NE2 2.96Å; S110-P116 PolarHBondContact N-O 2.88Å; S110-E118 PolarHBondContact OG-OE2 2.75Å
111	P	87.4	Confident	92.8	Very high	106 Å²	106	56.7 Å²	56.7	69%	0.688	28%	0.278	S	S	*	.	S	Bend	trans	-71.3	-9.7	168.4	27.9	-33.8	0	0	0	113.6	E118	P111-E118 WeakPolarHBondContact CD-OE1 3.4Å
112	H	84.6	Confident	92.7	Very high	112 Å²	112	62.4 Å²	62.4	52%	0.519	30%	0.304	S	S	.	.	S	Bend	trans	-95.5	131.2	-175.4	-63.8	86.3	0	0	0	113	S110 K114 Q115	S110-H112 PolarHBondContact O-N 3.03Å; S110-H112 PolarHBondContact OG-N 3.05Å; H112-K114 VanDerWaalsContact C-N 3.29Å; H112-K114 PolarHBondContact O-N 2.87Å; H112-Q115 HydrophobicContact CB-CB 4.42Å; H112-Q115 CarbonylContact O-C 3.52Å; H112-Q115 PolarHBondContact O-N 3.44Å
113	Q	74.1	Confident	92.7	Very high	204 Å²	204	66.4 Å²	66.4	95%	0.953	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.6	-177.7	-72.3	-178.6	0.6	0	0	114.8	Q115	Q113-Q115 VanDerWaalsContact C-N 3.28Å; Q113-Q115 PolarHBondContact O-N 2.88Å
114	K	78.1	Confident	92.7	Very high	208 Å²	208	67.6 Å²	67.6	90%	0.904	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	5	-177.9	-67.8	-172.6	177	-178	0	113.9	H112	H112-K114 VanDerWaalsContact C-N 3.29Å; H112-K114 PolarHBondContact O-N 2.87Å
115	Q	83.6	Confident	92.7	Very high	30 Å²	30	72 Å²	72	14%	0.14	34%	0.344	C	S	.	.			trans	-145.7	100.4	-174	-171.6	-164	-60.4	0	0	107.7	Q83 S110 H112 Q113 V117 E118	Q83-Q115 HydrophobicContact CB-CG 4.42Å; Q83-Q115 VanDerWaalsContact OE1-OE1 3.09Å; S110-Q115 WeakPolarHBondContact CB-O 3.2Å; S110-Q115 PolarHBondContact OG-NE2 2.96Å; H112-Q115 HydrophobicContact CB-CB 4.42Å; H112-Q115 CarbonylContact O-C 3.52Å; H112-Q115 PolarHBondContact O-N 3.44Å; Q113-Q115 VanDerWaalsContact C-N 3.28Å; Q113-Q115 PolarHBondContact O-N 2.88Å; Q115-V117 VanDerWaalsContact C-N 3.25Å; Q115-V117 WeakPolarHBondContact CG-O 3.21Å; Q115-V117 PolarHBondContact NE2-O 3.07Å; Q115-V117 PolarHBondContact O-N 2.8Å; Q115-E118 PolarHBondContact NE2-OE2 3.03Å
116	P	86.7	Confident	92.7	Very high	69 Å²	69	73.4 Å²	73.4	45%	0.448	35%	0.353	S	S	.	.	S	Bend	trans	-67.1	-29.2	-169.1	24.9	-33.5	0	0	0	112.9	S110	S110-P116 PolarHBondContact N-O 2.88Å
117	V	95.6	Very high	92.7	Very high	4 Å²	4	75.7 Å²	75.7	2%	0.024	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159.5	-174.3	-57.5	0	0	0	0	111.9	L44 L49 L82 L107 K108 Q115	L44-V117 HydrophobicContact CD2-CG2 4.09Å; L49-V117 HydrophobicContact CD2-CG1 3.96Å; L82-V117 HydrophobicContact CD1-CG2 3.84Å; L107-V117 HydrophobicContact CD1-CB 4.26Å; L107-V117 HydrophobicContact CD1-CG2 4.32Å; K108-V117 CarbonylContact O-C 3.52Å; K108-V117 VanDerWaalsContact O-CA 3.25Å; K108-V117 WeakPolarHBondContact O-CA 3.49Å; Q115-V117 VanDerWaalsContact C-N 3.25Å; Q115-V117 WeakPolarHBondContact CG-O 3.21Å; Q115-V117 PolarHBondContact NE2-O 3.07Å; Q115-V117 PolarHBondContact O-N 2.8Å
118	E	96.8	Very high	92.8	Very high	24 Å²	24	77.1 Å²	77.1	11%	0.112	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153	168.1	55.8	-163	-159.2	0	0	110.9	Q83 V85 K108 S110 P111 Q115	Q83-E118 HydrophobicContact CB-CB 4.45Å; Q83-E118 PolarHBondContact NE2-OE2 2.92Å; Q83-E118 WeakPolarHBondContact O-CA 3.31Å; V85-E118 HydrophobicContact CG2-CB 4.26Å; V85-E118 HydrophobicContact CG2-CG 4.3Å; K108-E118 PolarHBondContact N-O 3.4Å; K108-E118 PolarHBondContact O-N 2.82Å; S110-E118 PolarHBondContact OG-OE2 2.75Å; P111-E118 WeakPolarHBondContact CD-OE1 3.4Å; Q115-E118 PolarHBondContact NE2-OE2 3.03Å
119	L	97.4	Very high	92.8	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.1	173.2	-176.3	58.5	0	0	0	109.1	V53 V55 L82 Q83 I84 V85 V103 G105 L107 A121	V53-L119 HydrophobicContact CG2-CD1 3.47Å; V53-L119 VanDerWaalsContact CG2-CD1 3.47Å; V53-L119 HydrophobicContact CG2-CD2 4.36Å; V55-L119 HydrophobicContact CG1-CD2 4.27Å; V55-L119 HydrophobicContact CG2-CD2 3.53Å; L82-L119 HydrophobicContact CD2-CB 4.1Å; L82-L119 HydrophobicContact CD2-CD2 4.41Å; L82-L119 HydrophobicContact CG-CB 4.48Å; Q83-L119 PolarHBondContact O-N 2.84Å; I84-L119 CarbonylContact C-O 3.53Å; I84-L119 WeakPolarHBondContact CA-O 3.37Å; I84-L119 HydrophobicContact CD1-CB 3.75Å; I84-L119 HydrophobicContact CD1-CD2 3.93Å; I84-L119 HydrophobicContact CD1-CG 4.3Å; V85-L119 PolarHBondContact N-O 3.09Å; V103-L119 HydrophobicContact CB-CD2 4.27Å; V103-L119 HydrophobicContact CG1-CD2 3.82Å; V103-L119 HydrophobicContact CG1-CG 4.49Å; G105-L119 VanDerWaalsContact C-CD1 3.42Å; G105-L119 WeakPolarHBondContact O-CD1 3.36Å; L107-L119 HydrophobicContact CB-CD1 4.49Å; L119-A121 PolarHBondContact O-N 2.79Å
120	E	97.8	Very high	92.9	Very high	87 Å²	87	73.4 Å²	73.4	41%	0.407	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	104.5	170.2	-171.4	170.6	125.7	0	0	108.3	V85 G105 I106 K108	V85-E120 CarbonylContact O-C 3.6Å; V85-E120 WeakPolarHBondContact O-CA 3.48Å; G105-E120 CarbonylContact C-O 3.59Å; G105-E120 VanDerWaalsContact CA-O 3.28Å; G105-E120 WeakPolarHBondContact CA-O 3.35Å; I106-E120 PolarHBondContact N-O 2.87Å; I106-E120 PolarHBondContact O-N 2.95Å; K108-E120 HydrophobicContact CD-CB 4.32Å; K108-E120 WeakPolarHBondContact CD-OE2 3.48Å; K108-E120 VanDerWaalsContact CE-OE2 3.28Å; K108-E120 WeakPolarHBondContact CE-OE2 3.39Å; K108-E120 IonicContact NZ-OE1 3.2Å; K108-E120 PolarHBondContact NZ-OE1 3.49Å; K108-E120 IonicContact NZ-OE2 3.81Å; K108-E120 PolarHBondContact NZ-OE2 3.43Å
121	A	97.8	Very high	93	Very high	9 Å²	9	76.9 Å²	76.9	7%	0.074	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.6	-171.7	0	0	0	0	0	111.8	I84 V85 A86 V103 L119 I124	I84-A121 HydrophobicContact CG2-CB 3.61Å; V85-A121 PolarHBondContact O-N 3.27Å; A86-A121 HydrophobicContact CB-CB 3.9Å; V103-A121 HydrophobicContact CG1-CB 3.61Å; L119-A121 PolarHBondContact O-N 2.79Å; A121-I124 HydrophobicContact CB-CD1 4.17Å; A121-I124 HydrophobicContact CB-CG1 3.98Å
122	E	97.5	Very high	93.1	Very high	123 Å²	123	74.4 Å²	74.4	58%	0.575	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	-32.2	168	-63.3	-179.1	175.4	0	0	110.7	T104	T104-E122 PolarHBondContact O-N 2.91Å
123	Q	97.3	Very high	93.4	Very high	107 Å²	107	74.2 Å²	74.2	50%	0.5	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	136.6	179	-173.3	178.5	-4.8	0	0	111.3	V103 T104	V103-Q123 WeakPolarHBondContact CA-O 3.34Å; T104-Q123 PolarHBondContact N-O 3.35Å; T104-Q123 PolarHBondContact O-N 2.84Å; T104-Q123 VanDerWaalsContact O-N 3.09Å
124	I	98.2	Very high	94.4	Very high	26 Å²	26	70.5 Å²	70.5	13%	0.133	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.1	169.9	-60.6	164.2	0	0	0	107.8	L71 A86 L90 L95 V103 A121	L71-I124 HydrophobicContact CD1-CD1 3.71Å; A86-I124 HydrophobicContact CB-CD1 3.7Å; L90-I124 HydrophobicContact CB-CD1 4.17Å; L95-I124 HydrophobicContact CD1-CG2 4.08Å; L95-I124 HydrophobicContact CD2-CG2 3.66Å; L95-I124 HydrophobicContact CG-CG2 4.44Å; V103-I124 HydrophobicContact CG1-CG1 4.04Å; V103-I124 HydrophobicContact CG2-CG1 4.18Å; V103-I124 HydrophobicContact CG2-CG2 4.3Å; A121-I124 HydrophobicContact CB-CD1 4.17Å; A121-I124 HydrophobicContact CB-CG1 3.98Å
125	R	98.1	Very high	95.1	Very high	110 Å²	110	61.3 Å²	61.3	42%	0.415	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.1	172.3	-174.3	176.3	78.5	-126.1	-6.3	109.4	V101 E102 V127	V101-R125 CarbonylContact C-O 3.49Å; V101-R125 VanDerWaalsContact CA-O 3.32Å; V101-R125 WeakPolarHBondContact CA-O 3.43Å; E102-R125 HydrophobicContact CB-CB 4.46Å; E102-R125 PolarHBondContact N-O 3.4Å; E102-R125 PolarHBondContact O-N 3.47Å; E102-R125 IonicContact OE1-CZ 3.05Å; E102-R125 IonicContact OE1-NH1 3.03Å; E102-R125 PolarHBondContact OE1-NH1 2.79Å; E102-R125 IonicContact OE1-NH2 3.12Å; E102-R125 PolarHBondContact OE1-NH2 2.69Å; E102-R125 IonicContact OE2-CZ 2.63Å; E102-R125 IonicContact OE2-NH1 2.9Å; E102-R125 IonicContact OE2-NH2 3.79Å; E102-R125 PolarHBondContact OE2-NH2 3.1Å; R125-V127 PolarHBondContact O-N 3.24Å
126	V	98.2	Very high	95.6	Very high	29 Å²	29	61.2 Å²	61.2	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118.8	166.8	-176	0	0	0	0	108.1	L94 L95 V101 E129	L94-V126 HydrophobicContact CB-CB 4.39Å; L94-V126 HydrophobicContact CB-CG1 4.16Å; L94-V126 HydrophobicContact CB-CG2 4.07Å; L95-V126 HydrophobicContact CD2-CG2 3.62Å; L95-V126 HydrophobicContact CG-CG2 3.95Å; V101-V126 HydrophobicContact CG1-CG2 4.43Å; V126-E129 HydrophobicContact CG1-CG 4.39Å
127	V	97.9	Very high	96	Very high	88 Å²	88	58.3 Å²	58.3	53%	0.533	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-33.2	-178.1	-179.7	0	0	0	0	110.9	A100 E102 R125	A100-V127 HydrophobicContact CB-CB 4.48Å; A100-V127 PolarHBondContact O-N 3.47Å; E102-V127 HydrophobicContact CB-CG2 3.99Å; R125-V127 PolarHBondContact O-N 3.24Å
128	G	97.6	Very high	95.7	Very high	30 Å²	30	62 Å²	62	31%	0.309	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	125.5	177.6	0	0	0	0	0	110	S99 A100	S99-G128 CarbonylContact C-O 3.57Å; S99-G128 WeakPolarHBondContact CA-O 3.31Å; A100-G128 PolarHBondContact N-O 3.34Å; A100-G128 PolarHBondContact O-N 2.85Å
129	E	97.4	Very high	95.2	Very high	145 Å²	145	64.8 Å²	64.8	68%	0.678	34%	0.339	S	S	*	.			trans	-73.9	152.2	-178.5	-61.6	175	-158.2	0	0	111.5	L94 V126	L94-E129 HydrophobicContact CB-CG 4.48Å; L94-E129 HydrophobicContact CD1-CG 4.19Å; L94-E129 HydrophobicContact CD2-CG 4.17Å; V126-E129 HydrophobicContact CG1-CG 4.39Å
130	C	96.3	Very high	94.4	Very high	20 Å²	20	74.9 Å²	74.9	14%	0.135	38%	0.383	C	S	.	.			trans	-134.8	123.2	169.1	-169.3	0	0	0	0	109.8	T96 G98 S99 P132	T96-C130 PolarHBondContact OG1-O 2.79Å; G98-C130 WeakPolarHBondContact O-CB 3.39Å; S99-C130 PolarHBondContact OG-N 3.21Å; S99-C130 VanDerWaalsContact OG-N 3.14Å; C130-P132 WeakPolarHBondContact O-CD 3.27Å
131	N	94.9	Very high	93.9	Very high	84 Å²	84	77.2 Å²	77.2	45%	0.449	39%	0.392	S	S	.	.			trans	-79.9	111.1	172.6	-175.7	-29.7	0	0	0	109.4	V133 N134 F135	N131-V133 PolarHBondContact O-N 3.2Å; N131-V133 WeakPolarHBondContact OD1-CA 3.32Å; N131-V133 WeakPolarHBondContact OD1-CB 3.43Å; N131-V133 PolarHBondContact OD1-N 2.71Å; N131-N134 HydrophobicContact CB-CB 4.32Å; N131-N134 PolarHBondContact O-N 3.32Å; N131-N134 PolarHBondContact OD1-N 2.87Å; N131-F135 WeakPolarHBondContact O-CB 3.38Å; N131-F135 PolarHBondContact O-N 3.42Å
132	P	90.3	Very high	93.4	Very high	53 Å²	53	85 Å²	85	34%	0.344	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.1	-176.6	30.6	-36.2	0	0	0	113.2	T96 C130 K138	T96-P132 HydrophobicContact CG2-CG 4.32Å; C130-P132 WeakPolarHBondContact O-CD 3.27Å; P132-K138 PolarHBondContact O-NZ 2.8Å
133	V	90.7	Very high	93.1	Very high	109 Å²	109	80.6 Å²	80.6	66%	0.661	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-45.3	173.7	-176.7	0	0	0	0	109.9	N131 K138	N131-V133 PolarHBondContact O-N 3.2Å; N131-V133 WeakPolarHBondContact OD1-CA 3.32Å; N131-V133 WeakPolarHBondContact OD1-CB 3.43Å; N131-V133 PolarHBondContact OD1-N 2.71Å; V133-K138 PolarHBondContact O-NZ 2.84Å
134	N	93.3	Very high	92.9	Very high	125 Å²	125	78.7 Å²	78.7	67%	0.668	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.5	-178.5	-63.6	-10.9	0	0	0	112.7	N131 P136	N131-N134 HydrophobicContact CB-CB 4.32Å; N131-N134 PolarHBondContact O-N 3.32Å; N131-N134 PolarHBondContact OD1-N 2.87Å; N134-P136 WeakPolarHBondContact O-CD 3.3Å
135	F	94.1	Very high	92.6	Very high	16 Å²	16	79.9 Å²	79.9	7%	0.07	40%	0.403	C	S	.	.			trans	-64.4	124	178.7	-167.4	-122.3	0	0	0	110.5	F97 N131 F137 K138 L154	F97-F135 AromaticContact CD1-CD1 3.86Å; F97-F135 HydrophobicContact CD1-CD1 3.86Å; F97-F135 HydrophobicContact CD1-CE1 4.13Å; F97-F135 AromaticContact CE1-CD1 3.64Å; F97-F135 HydrophobicContact CE1-CD1 3.64Å; F97-F135 AromaticContact CE1-CE1 3.54Å; F97-F135 HydrophobicContact CE1-CE1 3.54Å; F97-F135 HydrophobicContact CZ-CE1 4.37Å; N131-F135 WeakPolarHBondContact O-CB 3.38Å; N131-F135 PolarHBondContact O-N 3.42Å; F135-F137 VanDerWaalsContact C-N 3.34Å; F135-F137 HydrophobicContact CD1-CB 4.27Å; F135-F137 VanDerWaalsContact CD1-O 3.27Å; F135-F137 WeakPolarHBondContact CD1-O 3.38Å; F135-F137 HydrophobicContact CE1-CB 3.83Å; F135-F137 HydrophobicContact CE1-CD2 4.08Å; F135-F137 HydrophobicContact CE1-CG 4.44Å; F135-F137 HydrophobicContact CZ-CB 4.42Å; F135-F137 AromaticContact CZ-CD2 3.82Å; F135-F137 HydrophobicContact CZ-CD2 3.82Å; F135-F137 PolarHBondContact O-N 2.83Å; F135-K138 PolarHBondContact O-NZ 3.43Å; F135-L154 HydrophobicContact CE2-CD1 4.31Å; F135-L154 HydrophobicContact CE2-CD2 4.34Å
136	P	94.6	Very high	92.4	Very high	27 Å²	27	80.4 Å²	80.4	18%	0.175	41%	0.41	C	S	.	.	S	Bend	trans	-68	-32.2	-170.2	21.5	-31.7	0	0	0	113.1	N134 K138 Y147 L151 L154	N134-P136 WeakPolarHBondContact O-CD 3.3Å; P136-K138 PolarHBondContact O-N 3.4Å; P136-Y147 WeakPolarHBondContact CB-OH 3.37Å; P136-L151 HydrophobicContact CB-CD1 3.47Å; P136-L151 VanDerWaalsContact CB-CD1 3.47Å; P136-L151 HydrophobicContact CG-CD1 3.58Å; P136-L154 HydrophobicContact CG-CD1 3.5Å
137	F	93.9	Very high	92.2	Very high	9 Å²	9	82.8 Å²	82.8	4%	0.039	42%	0.417	C	S	.	.	S	Bend	trans	-84.6	113.9	178.2	-53	-47.2	0	0	0	110.9	F97 F135 Y147 I148 L151 L154 T158	F97-F137 VanDerWaalsContact CE1-O 3.24Å; F97-F137 WeakPolarHBondContact CE1-O 3.32Å; F135-F137 VanDerWaalsContact C-N 3.34Å; F135-F137 HydrophobicContact CD1-CB 4.27Å; F135-F137 VanDerWaalsContact CD1-O 3.27Å; F135-F137 WeakPolarHBondContact CD1-O 3.38Å; F135-F137 HydrophobicContact CE1-CB 3.83Å; F135-F137 HydrophobicContact CE1-CD2 4.08Å; F135-F137 HydrophobicContact CE1-CG 4.44Å; F135-F137 HydrophobicContact CZ-CB 4.42Å; F135-F137 AromaticContact CZ-CD2 3.82Å; F135-F137 HydrophobicContact CZ-CD2 3.82Å; F135-F137 PolarHBondContact O-N 2.83Å; F137-Y147 HydrophobicContact CD1-CE1 4.2Å; F137-Y147 HydrophobicContact CE1-CD1 4.39Å; F137-Y147 HydrophobicContact CE1-CE1 4.15Å; F137-I148 HydrophobicContact CE1-CG1 4.07Å; F137-L151 HydrophobicContact CE1-CD1 3.93Å; F137-L151 HydrophobicContact CZ-CB 4.28Å; F137-L151 HydrophobicContact CZ-CD1 4.04Å; F137-L154 HydrophobicContact CE2-CB 3.67Å; F137-L154 WeakPolarHBondContact CE2-O 3.24Å; F137-L154 HydrophobicContact CZ-CB 4.19Å; F137-T158 HydrophobicContact CD1-CG2 4.22Å; F137-T158 HydrophobicContact CD2-CG2 3.95Å; F137-T158 HydrophobicContact CE1-CG2 4.12Å; F137-T158 HydrophobicContact CE2-CG2 3.82Å; F137-T158 HydrophobicContact CG-CG2 4.15Å; F137-T158 HydrophobicContact CZ-CG2 3.92Å
138	K	90.1	Very high	92	Very high	82 Å²	82	79 Å²	79	36%	0.357	39%	0.394	S	S	.	.			trans	-85.1	140.7	177.3	-54.6	-50.1	-174.5	-165.9	0	112.6	P132 V133 F135 P136 K141 H143	P132-K138 PolarHBondContact O-NZ 2.8Å; V133-K138 PolarHBondContact O-NZ 2.84Å; F135-K138 PolarHBondContact O-NZ 3.43Å; P136-K138 PolarHBondContact O-N 3.4Å; K138-K141 HydrophobicContact CB-CB 4.05Å; K138-K141 HydrophobicContact CB-CD 4.46Å; K138-K141 PolarHBondContact O-N 2.96Å; K138-H143 PolarHBondContact N-NE2 2.9Å
139	I	85.4	Confident	91.8	Very high	82 Å²	82	81.2 Å²	81.2	42%	0.421	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	139.8	174.7	-55.8	168.5	0	0	0	109.7	F97 K141	F97-I139 HydrophobicContact CB-CD1 3.35Å; F97-I139 HydrophobicContact CB-CG1 3.51Å; F97-I139 HydrophobicContact CD1-CD1 4.41Å; F97-I139 HydrophobicContact CD1-CG1 3.63Å; F97-I139 HydrophobicContact CD2-CD1 4.23Å; F97-I139 HydrophobicContact CD2-CG1 3.61Å; F97-I139 HydrophobicContact CE1-CG1 4.17Å; F97-I139 HydrophobicContact CE2-CG1 4.14Å; F97-I139 HydrophobicContact CG-CD1 3.79Å; F97-I139 HydrophobicContact CG-CG1 3.31Å; F97-I139 HydrophobicContact CZ-CG1 4.4Å; I139-K141 PolarHBondContact O-N 2.86Å
140	K	81.6	Confident	91.6	Very high	212 Å²	212	80.4 Å²	80.4	92%	0.922	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	2.1	178.3	-68.5	168	-178	-175.8	0	115.6
141	K	87.8	Confident	91.5	Very high	135 Å²	135	80.9 Å²	80.9	59%	0.587	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-95.7	126.9	171.8	-174.3	173.2	177.7	-178.8	0	109.2	K138 I139 H143	K138-K141 HydrophobicContact CB-CB 4.05Å; K138-K141 HydrophobicContact CB-CD 4.46Å; K138-K141 PolarHBondContact O-N 2.96Å; I139-K141 PolarHBondContact O-N 2.86Å; K141-H143 PolarHBondContact O-CD2 2.85Å; K141-H143 PolarHBondContact O-NE2 3.37Å
142	R	85.9	Confident	91.5	Very high	174 Å²	174	77.8 Å²	77.8	66%	0.657	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-80.3	125.1	167.4	-172.7	174.1	176.6	177.1	-1.9	108.5	H310	R142-H310 PolarHBondContact NH1-O 3.31Å; R142-H310 PolarHBondContact NH2-O 3.06Å
143	H	91.8	Very high	91.7	Very high	29 Å²	29	80.7 Å²	80.7	13%	0.134	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-98	144.9	174.1	-57.4	-83.2	0	0	0	109.1	K138 K141 Y147 I148	K138-H143 PolarHBondContact N-NE2 2.9Å; K141-H143 PolarHBondContact O-CD2 2.85Å; K141-H143 PolarHBondContact O-NE2 3.37Å; H143-Y147 HydrophobicContact CB-CD1 3.84Å; H143-Y147 AromaticContact CG-CD1 3.99Å; H143-Y147 AromaticContact ND1-CD1 3.74Å; H143-Y147 AromaticContact ND1-CE1 3.71Å; H143-I148 HydrophobicContact CB-CD1 4.12Å; H143-I148 HydrophobicContact CB-CG1 3.96Å
144	S	92.9	Very high	91.9	Very high	67 Å²	67	76.9 Å²	76.9	47%	0.469	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-67.4	152.6	175	63.2	0	0	0	0	110.3	E146 Y147 I148	S144-E146 PolarHBondContact O-N 3.18Å; S144-Y147 PolarHBondContact O-N 3.36Å; S144-Y147 PolarHBondContact OG-N 2.88Å; S144-I148 VanDerWaalsContact O-CG1 3.29Å; S144-I148 WeakPolarHBondContact O-CG1 3.35Å; S144-I148 PolarHBondContact O-N 2.82Å
145	L	92.3	Very high	92	Very high	52 Å²	52	71 Å²	71	27%	0.272	33%	0.327	S	S	.	.	H	α-helix	trans	-58.9	-32.8	174.1	-66.1	177.5	0	0	0	111.4	I148 R149 V311 D473	L145-I148 PolarHBondContact O-N 2.9Å; L145-R149 WeakPolarHBondContact O-CG 3.47Å; L145-R149 PolarHBondContact O-N 3.35Å; L145-V311 HydrophobicContact CD1-CG1 4.27Å; L145-D473 HydrophobicContact CD1-CB 4.25Å
146	E	92.6	Very high	91.9	Very high	120 Å²	120	72.9 Å²	72.9	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-60.5	-48	173.7	-175.1	175.8	-169	0	0	113.6	S144 I148 R149	S144-E146 PolarHBondContact O-N 3.18Å; E146-I148 VanDerWaalsContact C-N 3.31Å; E146-I148 PolarHBondContact O-N 3.48Å; E146-R149 PolarHBondContact O-N 2.85Å
147	Y	94.6	Very high	91.9	Very high	80 Å²	80	75.8 Å²	75.8	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-41.2	175.4	177.7	-104.3	0	0	0	111.2	P136 F137 H143 S144 R149 Q150 L151	P136-Y147 WeakPolarHBondContact CB-OH 3.37Å; F137-Y147 HydrophobicContact CD1-CE1 4.2Å; F137-Y147 HydrophobicContact CE1-CD1 4.39Å; F137-Y147 HydrophobicContact CE1-CE1 4.15Å; H143-Y147 HydrophobicContact CB-CD1 3.84Å; H143-Y147 AromaticContact CG-CD1 3.99Å; H143-Y147 AromaticContact ND1-CD1 3.74Å; H143-Y147 AromaticContact ND1-CE1 3.71Å; S144-Y147 PolarHBondContact O-N 3.36Å; S144-Y147 PolarHBondContact OG-N 2.88Å; Y147-R149 VanDerWaalsContact C-N 3.29Å; Y147-R149 PolarHBondContact O-N 3.38Å; Y147-Q150 WeakPolarHBondContact O-CB 3.16Å; Y147-Q150 PolarHBondContact O-N 3.34Å; Y147-L151 HydrophobicContact CE1-CD1 4.14Å
148	I	94.3	Very high	91.9	Very high	9 Å²	9	76.2 Å²	76.2	5%	0.046	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-35.8	179	-67.2	169.7	0	0	0	111.3	F137 H143 S144 L145 E146 Q150 L151 R155 T158	F137-I148 HydrophobicContact CE1-CG1 4.07Å; H143-I148 HydrophobicContact CB-CD1 4.12Å; H143-I148 HydrophobicContact CB-CG1 3.96Å; S144-I148 VanDerWaalsContact O-CG1 3.29Å; S144-I148 WeakPolarHBondContact O-CG1 3.35Å; S144-I148 PolarHBondContact O-N 2.82Å; L145-I148 PolarHBondContact O-N 2.9Å; E146-I148 VanDerWaalsContact C-N 3.31Å; E146-I148 PolarHBondContact O-N 3.48Å; I148-Q150 PolarHBondContact O-N 3.34Å; I148-L151 PolarHBondContact O-N 2.92Å; I148-L151 VanDerWaalsContact O-N 3.11Å; I148-R155 HydrophobicContact CG2-CB 3.21Å; I148-R155 HydrophobicContact CG2-CG 4.29Å; I148-T158 HydrophobicContact CD1-CG2 4.11Å; I148-T158 HydrophobicContact CG1-CG2 4.34Å; I148-T158 HydrophobicContact CG2-CG2 4.48Å
149	R	92.6	Very high	92.1	Very high	75 Å²	75	76.4 Å²	76.4	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-26.4	176.1	-82.3	-173.1	-77.5	116.6	-1.6	113.6	L145 E146 Y147 L151 D473	L145-R149 WeakPolarHBondContact O-CG 3.47Å; L145-R149 PolarHBondContact O-N 3.35Å; E146-R149 PolarHBondContact O-N 2.85Å; Y147-R149 VanDerWaalsContact C-N 3.29Å; Y147-R149 PolarHBondContact O-N 3.38Å; R149-L151 PolarHBondContact O-N 3.43Å; R149-D473 WeakPolarHBondContact CD-OD1 3.33Å; R149-D473 WeakPolarHBondContact CG-OD1 3.48Å; R149-D473 IonicContact NE-OD1 3.64Å; R149-D473 PolarHBondContact NE-OD1 3.02Å; R149-D473 IonicContact NE-OD2 3.16Å
150	Q	93.6	Very high	92.5	Very high	128 Å²	128	73.4 Å²	73.4	60%	0.598	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.2	176.7	-60.6	174.5	3.1	0	0	112.8	Y147 I148 P152	Y147-Q150 WeakPolarHBondContact O-CB 3.16Å; Y147-Q150 PolarHBondContact O-N 3.34Å; I148-Q150 PolarHBondContact O-N 3.34Å; Q150-P152 WeakPolarHBondContact O-CD 3.33Å
151	L	94.9	Very high	93.2	Very high	31 Å²	31	63.8 Å²	63.8	16%	0.162	30%	0.303	C	S	.	.			trans	-124.3	62.1	-175.4	-62.1	167.7	0	0	0	111.1	P136 F137 Y147 I148 R149 H153 L154 R155	P136-L151 HydrophobicContact CB-CD1 3.47Å; P136-L151 VanDerWaalsContact CB-CD1 3.47Å; P136-L151 HydrophobicContact CG-CD1 3.58Å; F137-L151 HydrophobicContact CE1-CD1 3.93Å; F137-L151 HydrophobicContact CZ-CB 4.28Å; F137-L151 HydrophobicContact CZ-CD1 4.04Å; Y147-L151 HydrophobicContact CE1-CD1 4.14Å; I148-L151 PolarHBondContact O-N 2.92Å; I148-L151 VanDerWaalsContact O-N 3.11Å; R149-L151 PolarHBondContact O-N 3.43Å; L151-H153 PolarHBondContact O-N 2.87Å; L151-L154 HydrophobicContact CB-CB 4.43Å; L151-L154 PolarHBondContact O-N 2.82Å; L151-R155 PolarHBondContact O-N 3.01Å
152	P	94	Very high	93.6	Very high	18 Å²	18	57.8 Å²	57.8	12%	0.117	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.5	-173.8	22.5	-33	0	0	0	112.9	Q150 L154 F477	Q150-P152 WeakPolarHBondContact O-CD 3.33Å; P152-L154 VanDerWaalsContact C-N 3.3Å; P152-L154 PolarHBondContact O-N 3.16Å; P152-F477 HydrophobicContact CB-CD1 3.85Å; P152-F477 HydrophobicContact CB-CE1 4Å
153	H	94.6	Very high	94.2	Very high	115 Å²	115	49.5 Å²	49.5	53%	0.532	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.2	178.9	62.7	-77	0	0	0	114.3	L151	L151-H153 PolarHBondContact O-N 2.87Å
154	L	95.2	Very high	94.5	Very high	28 Å²	28	48.1 Å²	48.1	15%	0.147	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-22.5	-179.8	-64.6	175.8	0	0	0	113.9	F135 P136 F137 L151 P152 C156 R157	F135-L154 HydrophobicContact CE2-CD1 4.31Å; F135-L154 HydrophobicContact CE2-CD2 4.34Å; P136-L154 HydrophobicContact CG-CD1 3.5Å; F137-L154 HydrophobicContact CE2-CB 3.67Å; F137-L154 WeakPolarHBondContact CE2-O 3.24Å; F137-L154 HydrophobicContact CZ-CB 4.19Å; L151-L154 HydrophobicContact CB-CB 4.43Å; L151-L154 PolarHBondContact O-N 2.82Å; P152-L154 VanDerWaalsContact C-N 3.3Å; P152-L154 PolarHBondContact O-N 3.16Å; L154-C156 PolarHBondContact O-N 3.18Å; L154-R157 VanDerWaalsContact O-CB 3.26Å; L154-R157 WeakPolarHBondContact O-CB 3.18Å; L154-R157 WeakPolarHBondContact O-CG 3.48Å; L154-R157 PolarHBondContact O-N 2.61Å
155	R	94.5	Very high	94.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.008	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.2	-169.4	63.1	179	-170.4	160.6	1.7	115.2	I148 L151 R157 T158 F161 K472 D473 I475 P476 P478	I148-R155 HydrophobicContact CG2-CB 3.21Å; I148-R155 HydrophobicContact CG2-CG 4.29Å; L151-R155 PolarHBondContact O-N 3.01Å; R155-R157 PolarHBondContact O-N 2.7Å; R155-T158 WeakPolarHBondContact O-CB 3.49Å; R155-T158 WeakPolarHBondContact O-CG2 3.13Å; R155-T158 PolarHBondContact O-N 3.18Å; R155-T158 PolarHBondContact O-OG1 2.77Å; R155-F161 HydrophobicContact CB-CG 4.39Å; R155-F161 HydrophobicContact CG-CD1 3.88Å; R155-F161 HydrophobicContact CG-CD2 4.33Å; R155-F161 HydrophobicContact CG-CE1 4.03Å; R155-F161 HydrophobicContact CG-CG 4.04Å; R155-F161 HydrophobicContact CG-CZ 4.37Å; R155-F161 WeakPolarHBondContact O-CB 3.4Å; R155-K472 PolarHBondContact NH1-O 2.91Å; R155-D473 IonicContact NH1-OD1 3.9Å; R155-I475 PolarHBondContact NH2-O 3.28Å; R155-P476 PolarHBondContact NE-O 3.32Å; R155-P476 PolarHBondContact NH2-O 3.46Å; R155-P478 VanDerWaalsContact NH2-CD 3.28Å
156	C	94	Very high	95	Very high	56 Å²	56	47 Å²	47	38%	0.378	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-57.6	-18.2	172.6	64.8	0	0	0	0	113.7	L154 T158 F161 S162 L165	L154-C156 PolarHBondContact O-N 3.18Å; C156-T158 VanDerWaalsContact C-N 3.28Å; C156-T158 PolarHBondContact O-N 3.01Å; C156-F161 HydrophobicContact CB-CD1 4.32Å; C156-S162 WeakPolarHBondContact O-CB 3.47Å; C156-L165 HydrophobicContact CB-CD1 3.96Å
157	R	93.5	Very high	95.3	Very high	88 Å²	88	41.2 Å²	41.2	33%	0.332	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-80.8	-3.3	174.5	-58.6	-173.4	175.8	-162.8	0.2	113.4	R60 L154 R155	R60-R157 PolarHBondContact NH1-O 3.44Å; L154-R157 VanDerWaalsContact O-CB 3.26Å; L154-R157 WeakPolarHBondContact O-CB 3.18Å; L154-R157 WeakPolarHBondContact O-CG 3.48Å; L154-R157 PolarHBondContact O-N 2.61Å; R155-R157 PolarHBondContact O-N 2.7Å
158	T	94.5	Very high	95.5	Very high	18 Å²	18	38.5 Å²	38.5	11%	0.11	19%	0.189	C	C	.	.	S	Bend	trans	-88.5	152.9	173.6	69.1	0	0	0	0	111.1	F137 I148 R155 C156 F161 S162	F137-T158 HydrophobicContact CD1-CG2 4.22Å; F137-T158 HydrophobicContact CD2-CG2 3.95Å; F137-T158 HydrophobicContact CE1-CG2 4.12Å; F137-T158 HydrophobicContact CE2-CG2 3.82Å; F137-T158 HydrophobicContact CG-CG2 4.15Å; F137-T158 HydrophobicContact CZ-CG2 3.92Å; I148-T158 HydrophobicContact CD1-CG2 4.11Å; I148-T158 HydrophobicContact CG1-CG2 4.34Å; I148-T158 HydrophobicContact CG2-CG2 4.48Å; R155-T158 WeakPolarHBondContact O-CB 3.49Å; R155-T158 WeakPolarHBondContact O-CG2 3.13Å; R155-T158 PolarHBondContact O-N 3.18Å; R155-T158 PolarHBondContact O-OG1 2.77Å; C156-T158 VanDerWaalsContact C-N 3.28Å; C156-T158 PolarHBondContact O-N 3.01Å; T158-F161 PolarHBondContact O-N 2.88Å; T158-F161 WeakPolarHBondContact OG1-CB 3.45Å; T158-F161 PolarHBondContact OG1-N 3.12Å; T158-S162 WeakPolarHBondContact O-CB 3.27Å; T158-S162 PolarHBondContact O-N 3.4Å; T158-S162 PolarHBondContact O-OG 3.37Å; T158-S162 VanDerWaalsContact O-OG 3.11Å
159	N	94.4	Very high	95.7	Very high	85 Å²	85	42 Å²	42	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-58.9	-52.6	179	-69.4	-1.5	0	0	0	111	L79 F161 S162 S163 L306	L79-N159 HydrophobicContact CD1-CB 3.95Å; N159-F161 PolarHBondContact O-N 2.91Å; N159-S162 PolarHBondContact O-N 3.32Å; N159-S162 PolarHBondContact O-OG 3.07Å; N159-S163 WeakPolarHBondContact O-CB 3.31Å; N159-S163 PolarHBondContact O-N 3.33Å; N159-S163 PolarHBondContact O-OG 2.98Å; N159-S163 VanDerWaalsContact O-OG 3.08Å; N159-L306 HydrophobicContact CB-CD1 3.88Å
160	A	93.8	Very high	96	Very high	20 Å²	20	40.3 Å²	40.3	17%	0.165	21%	0.209	C	C	.	.	H	α-helix	trans	-54.3	-48.7	-179.4	0	0	0	0	0	112.7	S163 L164 L306 F307	A160-S163 PolarHBondContact O-N 2.84Å; A160-L164 PolarHBondContact O-N 2.9Å; A160-L306 HydrophobicContact CB-CD2 4.26Å; A160-F307 WeakPolarHBondContact O-CE2 3.47Å; A160-F307 WeakPolarHBondContact O-CZ 3.43Å
161	F	95.8	Very high	96.2	Very high	10 Å²	10	34.2 Å²	34.2	4%	0.044	18%	0.181	C	C	.	.	H	α-helix	trans	-75.3	-37	-177.2	-149.5	-97.3	0	0	0	112.8	R155 C156 T158 N159 S163 L164 L165 I475	R155-F161 HydrophobicContact CB-CG 4.39Å; R155-F161 HydrophobicContact CG-CD1 3.88Å; R155-F161 HydrophobicContact CG-CD2 4.33Å; R155-F161 HydrophobicContact CG-CE1 4.03Å; R155-F161 HydrophobicContact CG-CG 4.04Å; R155-F161 HydrophobicContact CG-CZ 4.37Å; R155-F161 WeakPolarHBondContact O-CB 3.4Å; C156-F161 HydrophobicContact CB-CD1 4.32Å; T158-F161 PolarHBondContact O-N 2.88Å; T158-F161 WeakPolarHBondContact OG1-CB 3.45Å; T158-F161 PolarHBondContact OG1-N 3.12Å; N159-F161 PolarHBondContact O-N 2.91Å; F161-S163 VanDerWaalsContact C-N 3.29Å; F161-S163 PolarHBondContact O-N 2.85Å; F161-L164 HydrophobicContact CD2-CD2 3.76Å; F161-L164 HydrophobicContact CE1-CD2 4.45Å; F161-L164 HydrophobicContact CE2-CD2 3.38Å; F161-L164 HydrophobicContact CG-CD2 4.4Å; F161-L164 HydrophobicContact CZ-CD2 3.76Å; F161-L164 WeakPolarHBondContact O-CB 3.26Å; F161-L164 PolarHBondContact O-N 3.41Å; F161-L165 HydrophobicContact CD1-CD1 3.98Å; F161-L165 HydrophobicContact CD1-CD2 4.41Å; F161-L165 HydrophobicContact CD1-CG 4.01Å; F161-L165 HydrophobicContact CE1-CD1 4.08Å; F161-L165 HydrophobicContact CE1-CD2 3.88Å; F161-L165 HydrophobicContact CE1-CG 3.99Å; F161-L165 WeakPolarHBondContact O-CG 3.43Å; F161-L165 PolarHBondContact O-N 2.97Å; F161-I475 WeakPolarHBondContact CZ-O 2.99Å
162	S	96.3	Very high	96.4	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-38.5	173.1	71.1	0	0	0	0	112	C156 T158 N159 L165 R166	C156-S162 WeakPolarHBondContact O-CB 3.47Å; T158-S162 WeakPolarHBondContact O-CB 3.27Å; T158-S162 PolarHBondContact O-N 3.4Å; T158-S162 PolarHBondContact O-OG 3.37Å; T158-S162 VanDerWaalsContact O-OG 3.11Å; N159-S162 PolarHBondContact O-N 3.32Å; N159-S162 PolarHBondContact O-OG 3.07Å; S162-L165 PolarHBondContact O-N 2.82Å; S162-R166 PolarHBondContact O-N 3.21Å; S162-R166 VanDerWaalsContact O-N 3.14Å; S162-R166 PolarHBondContact O-NH1 3.02Å; S162-R166 PolarHBondContact OG-NH1 3.12Å; S162-R166 PolarHBondContact OG-NH2 3.21Å
163	S	97.6	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-47.7	173.5	-69.5	0	0	0	0	111.4	N159 A160 F161 L165 R166 I167 D303	N159-S163 WeakPolarHBondContact O-CB 3.31Å; N159-S163 PolarHBondContact O-N 3.33Å; N159-S163 PolarHBondContact O-OG 2.98Å; N159-S163 VanDerWaalsContact O-OG 3.08Å; A160-S163 PolarHBondContact O-N 2.84Å; F161-S163 VanDerWaalsContact C-N 3.29Å; F161-S163 PolarHBondContact O-N 2.85Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 3.26Å; S163-R166 PolarHBondContact O-N 3.43Å; S163-R166 PolarHBondContact OG-NH2 2.88Å; S163-I167 WeakPolarHBondContact O-CD1 3.31Å; S163-I167 WeakPolarHBondContact O-CG1 3.24Å; S163-I167 PolarHBondContact O-N 3.3Å; S163-D303 WeakPolarHBondContact CA-OD1 3.45Å; S163-D303 WeakPolarHBondContact CB-OD1 3.45Å; S163-D303 PolarHBondContact OG-OD1 2.89Å
164	L	97.9	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-53.6	-47	173.6	171.7	75.2	0	0	0	111.9	A160 F161 R166 I167 R168 F307 L466 D473 V474	A160-L164 PolarHBondContact O-N 2.9Å; F161-L164 HydrophobicContact CD2-CD2 3.76Å; F161-L164 HydrophobicContact CE1-CD2 4.45Å; F161-L164 HydrophobicContact CE2-CD2 3.38Å; F161-L164 HydrophobicContact CG-CD2 4.4Å; F161-L164 HydrophobicContact CZ-CD2 3.76Å; F161-L164 WeakPolarHBondContact O-CB 3.26Å; F161-L164 PolarHBondContact O-N 3.41Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 2.98Å; L164-I167 PolarHBondContact O-N 3.21Å; L164-R168 VanDerWaalsContact O-CB 3.26Å; L164-R168 WeakPolarHBondContact O-CB 3.43Å; L164-R168 PolarHBondContact O-N 2.97Å; L164-F307 HydrophobicContact CB-CE2 4.35Å; L164-F307 HydrophobicContact CB-CZ 3.95Å; L164-L466 HydrophobicContact CD1-CD1 3.73Å; L164-D473 WeakPolarHBondContact CD2-O 3.24Å; L164-V474 HydrophobicContact CD1-CB 4.1Å; L164-V474 HydrophobicContact CD1-CG1 4.14Å
165	L	97.9	Very high	97	Very high	55 Å²	55	28.8 Å²	28.8	29%	0.288	16%	0.161	S	C	.	.	H	α-helix	trans	-64.8	-37.7	-177.4	-67.1	179.2	0	0	0	112.2	C156 F161 S162 S163 S169 P476	C156-L165 HydrophobicContact CB-CD1 3.96Å; F161-L165 HydrophobicContact CD1-CD1 3.98Å; F161-L165 HydrophobicContact CD1-CD2 4.41Å; F161-L165 HydrophobicContact CD1-CG 4.01Å; F161-L165 HydrophobicContact CE1-CD1 4.08Å; F161-L165 HydrophobicContact CE1-CD2 3.88Å; F161-L165 HydrophobicContact CE1-CG 3.99Å; F161-L165 WeakPolarHBondContact O-CG 3.43Å; F161-L165 PolarHBondContact O-N 2.97Å; S162-L165 PolarHBondContact O-N 2.82Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 3.26Å; L165-S169 WeakPolarHBondContact O-CB 3.47Å; L165-S169 PolarHBondContact O-N 3.43Å; L165-P476 HydrophobicContact CD2-CB 4.17Å; L165-P476 HydrophobicContact CD2-CG 3.65Å
166	R	98.5	Very high	97.2	Very high	39 Å²	39	30.9 Å²	30.9	15%	0.147	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-46.6	172.9	-71.5	-172.9	-66.9	-82.2	-5	111.6	G76 S162 S163 L164 R168 S169 E170 D303	G76-R166 PolarHBondContact O-NH1 2.81Å; S162-R166 PolarHBondContact O-N 3.21Å; S162-R166 VanDerWaalsContact O-N 3.14Å; S162-R166 PolarHBondContact O-NH1 3.02Å; S162-R166 PolarHBondContact OG-NH1 3.12Å; S162-R166 PolarHBondContact OG-NH2 3.21Å; S163-R166 PolarHBondContact O-N 3.43Å; S163-R166 PolarHBondContact OG-NH2 2.88Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 2.98Å; R166-R168 PolarHBondContact O-N 3.09Å; R166-S169 WeakPolarHBondContact O-CB 3.31Å; R166-S169 PolarHBondContact O-N 3.4Å; R166-E170 PolarHBondContact O-N 2.77Å; R166-D303 IonicContact CZ-OD1 3.32Å; R166-D303 IonicContact CZ-OD2 2.84Å; R166-D303 IonicContact NE-OD1 2.71Å; R166-D303 PolarHBondContact NE-OD1 3.2Å; R166-D303 IonicContact NE-OD2 3.1Å; R166-D303 PolarHBondContact NE-OD2 3.18Å; R166-D303 IonicContact NH2-OD1 3.43Å; R166-D303 PolarHBondContact NH2-OD1 3.34Å; R166-D303 IonicContact NH2-OD2 3.72Å
167	I	98.8	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-48.6	175.8	-71.5	156.7	0	0	0	111	S163 L164 S169 E170 A171 V296 C300 D303 V304 F307 L462 L466	S163-I167 WeakPolarHBondContact O-CD1 3.31Å; S163-I167 WeakPolarHBondContact O-CG1 3.24Å; S163-I167 PolarHBondContact O-N 3.3Å; L164-I167 PolarHBondContact O-N 3.21Å; I167-S169 VanDerWaalsContact C-N 3.33Å; I167-S169 PolarHBondContact O-N 3.25Å; I167-E170 PolarHBondContact O-N 3.48Å; I167-A171 VanDerWaalsContact O-CB 3.32Å; I167-A171 WeakPolarHBondContact O-CB 3.49Å; I167-A171 PolarHBondContact O-N 3.13Å; I167-V296 HydrophobicContact CG2-CG1 3.87Å; I167-C300 HydrophobicContact CG1-CB 3.91Å; I167-D303 HydrophobicContact CD1-CB 3.69Å; I167-D303 HydrophobicContact CG1-CB 3.75Å; I167-V304 HydrophobicContact CD1-CG2 4.03Å; I167-V304 HydrophobicContact CG1-CG2 4.1Å; I167-F307 HydrophobicContact CD1-CD2 4.07Å; I167-F307 HydrophobicContact CD1-CE2 4.13Å; I167-L462 HydrophobicContact CG2-CD2 4.19Å; I167-L466 HydrophobicContact CD1-CD1 4.34Å; I167-L466 HydrophobicContact CD1-CD2 3.81Å; I167-L466 HydrophobicContact CG2-CD1 4.35Å; I167-L466 HydrophobicContact CG2-CD2 4.33Å
168	R	98.6	Very high	97.7	Very high	23 Å²	23	26.3 Å²	26.3	9%	0.087	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-45.7	178.2	179.5	175	-179.2	95.8	2.7	111	L164 R166 E170 A171 T172 F266 F458 E459 L462 V474	L164-R168 VanDerWaalsContact O-CB 3.26Å; L164-R168 WeakPolarHBondContact O-CB 3.43Å; L164-R168 PolarHBondContact O-N 2.97Å; R166-R168 PolarHBondContact O-N 3.09Å; R168-E170 VanDerWaalsContact C-N 3.35Å; R168-E170 PolarHBondContact O-N 3.19Å; R168-A171 PolarHBondContact O-N 3.49Å; R168-T172 PolarHBondContact O-N 2.93Å; R168-T172 PolarHBondContact O-OG1 3.02Å; R168-T172 VanDerWaalsContact O-OG1 3.08Å; R168-F266 VanDerWaalsContact NH2-CD2 3.32Å; R168-F458 HydrophobicContact CG-CE1 3.7Å; R168-F458 HydrophobicContact CG-CZ 4.02Å; R168-F458 VanDerWaalsContact CZ-CE1 3.47Å; R168-E459 IonicContact CZ-OE1 2.89Å; R168-E459 IonicContact NH1-OE1 2.83Å; R168-E459 PolarHBondContact NH1-OE1 2.83Å; R168-E459 IonicContact NH2-OE1 3.65Å; R168-E459 PolarHBondContact NH2-OE1 2.97Å; R168-L462 HydrophobicContact CB-CD1 4.04Å; R168-L462 HydrophobicContact CG-CD1 3.83Å; R168-V474 PolarHBondContact NH1-O 3.38Å; R168-V474 VanDerWaalsContact NH1-O 3.14Å
169	S	98.6	Very high	97.9	Very high	81 Å²	81	25.4 Å²	25.4	57%	0.566	15%	0.146	S	C	*	.	H	α-helix	trans	-60	-44	176.7	-173.5	0	0	0	0	112.1	L165 R166 I167 A173	L165-S169 WeakPolarHBondContact O-CB 3.47Å; L165-S169 PolarHBondContact O-N 3.43Å; R166-S169 WeakPolarHBondContact O-CB 3.31Å; R166-S169 PolarHBondContact O-N 3.4Å; I167-S169 VanDerWaalsContact C-N 3.33Å; I167-S169 PolarHBondContact O-N 3.25Å; S169-A173 PolarHBondContact O-N 3.48Å; S169-A173 VanDerWaalsContact O-N 3.13Å
170	E	98.8	Very high	98.1	Very high	41 Å²	41	29.1 Å²	29.1	19%	0.192	16%	0.158	C	C	.	.	H	α-helix	trans	-69.4	-39.5	177.7	-174.8	59.6	-147.8	0	0	111.7	R166 I167 R168 T172 A173 A174 R295 V296 R299 C300	R166-E170 PolarHBondContact O-N 2.77Å; I167-E170 PolarHBondContact O-N 3.48Å; R168-E170 VanDerWaalsContact C-N 3.35Å; R168-E170 PolarHBondContact O-N 3.19Å; E170-T172 PolarHBondContact O-N 3.33Å; E170-A173 CarbonylContact O-C 3.55Å; E170-A173 PolarHBondContact O-N 3.01Å; E170-A174 VanDerWaalsContact O-CB 3.32Å; E170-A174 WeakPolarHBondContact O-CB 3.26Å; E170-A174 PolarHBondContact O-N 3.35Å; E170-R295 IonicContact OE1-CZ 2.95Å; E170-R295 IonicContact OE1-NE 3.33Å; E170-R295 PolarHBondContact OE1-NE 3.18Å; E170-R295 IonicContact OE1-NH2 3.98Å; E170-R295 PolarHBondContact OE1-NH2 3.25Å; E170-R295 VanDerWaalsContact OE1-NH2 3.1Å; E170-V296 HydrophobicContact CG-CG2 4.5Å; E170-R299 HydrophobicContact CG-CB 3.86Å; E170-C300 WeakPolarHBondContact CB-SG 3.47Å
171	A	98.8	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-44.1	175.6	0	0	0	0	0	111.8	I167 R168 A173 A174 I175 V296 F458 Y461 L462	I167-A171 VanDerWaalsContact O-CB 3.32Å; I167-A171 WeakPolarHBondContact O-CB 3.49Å; I167-A171 PolarHBondContact O-N 3.13Å; R168-A171 PolarHBondContact O-N 3.49Å; A171-A173 VanDerWaalsContact C-N 3.35Å; A171-A173 PolarHBondContact O-N 2.89Å; A171-A174 PolarHBondContact O-N 3.33Å; A171-I175 WeakPolarHBondContact O-CG1 3.39Å; A171-I175 PolarHBondContact O-N 3.47Å; A171-V296 HydrophobicContact CB-CG2 3.8Å; A171-F458 HydrophobicContact CB-CE2 3.83Å; A171-F458 HydrophobicContact CB-CZ 3.93Å; A171-Y461 HydrophobicContact CB-CE1 3.93Å; A171-L462 HydrophobicContact CB-CD2 3.97Å
172	T	98.8	Very high	98.4	Very high	38 Å²	38	36.8 Å²	36.8	23%	0.233	20%	0.197	C	C	.	.	H	α-helix	trans	-58	-47.9	172.6	-61.5	0	0	0	0	110.8	R168 E170 A174 I175 H176 F247 F458	R168-T172 PolarHBondContact O-N 2.93Å; R168-T172 PolarHBondContact O-OG1 3.02Å; R168-T172 VanDerWaalsContact O-OG1 3.08Å; E170-T172 PolarHBondContact O-N 3.33Å; T172-A174 VanDerWaalsContact C-N 3.31Å; T172-A174 PolarHBondContact O-N 2.8Å; T172-I175 PolarHBondContact O-N 3.21Å; T172-H176 PolarHBondContact O-CD2 3.43Å; T172-H176 PolarHBondContact O-N 2.99Å; T172-H176 VanDerWaalsContact O-N 3.09Å; T172-F247 HydrophobicContact CG2-CE1 4.37Å; T172-F247 HydrophobicContact CG2-CE2 4.42Å; T172-F247 HydrophobicContact CG2-CZ 4.15Å; T172-F458 WeakPolarHBondContact OG1-CE1 3.35Å; T172-F458 VanDerWaalsContact OG1-CZ 3.26Å; T172-F458 WeakPolarHBondContact OG1-CZ 3.23Å
173	A	98.8	Very high	98.5	Very high	35 Å²	35	39 Å²	39	29%	0.289	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-36.8	178	0	0	0	0	0	112.7	S169 E170 A171 S177	S169-A173 PolarHBondContact O-N 3.48Å; S169-A173 VanDerWaalsContact O-N 3.13Å; E170-A173 CarbonylContact O-C 3.55Å; E170-A173 PolarHBondContact O-N 3.01Å; A171-A173 VanDerWaalsContact C-N 3.35Å; A171-A173 PolarHBondContact O-N 2.89Å; A173-S177 VanDerWaalsContact O-CB 3.31Å; A173-S177 WeakPolarHBondContact O-CB 3.16Å; A173-S177 PolarHBondContact O-N 3.3Å; A173-S177 PolarHBondContact O-OG 2.76Å
174	A	98.8	Very high	98.6	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-46.2	179	0	0	0	0	0	111.5	E170 A171 T172 S177 Y178 A292 R295	E170-A174 VanDerWaalsContact O-CB 3.32Å; E170-A174 WeakPolarHBondContact O-CB 3.26Å; E170-A174 PolarHBondContact O-N 3.35Å; A171-A174 PolarHBondContact O-N 3.33Å; T172-A174 VanDerWaalsContact C-N 3.31Å; T172-A174 PolarHBondContact O-N 2.8Å; A174-S177 PolarHBondContact O-N 3.01Å; A174-Y178 PolarHBondContact O-N 3.29Å; A174-A292 HydrophobicContact CB-CB 4.19Å; A174-R295 HydrophobicContact CB-CB 4.02Å; A174-R295 HydrophobicContact CB-CG 3.96Å
175	I	98.8	Very high	98.6	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-48.9	176.9	-69.8	168.7	0	0	0	110.9	A171 T172 S177 Y178 F179 F247 V268 A292 F458	A171-I175 WeakPolarHBondContact O-CG1 3.39Å; A171-I175 PolarHBondContact O-N 3.47Å; T172-I175 PolarHBondContact O-N 3.21Å; I175-S177 VanDerWaalsContact C-N 3.26Å; I175-S177 PolarHBondContact O-N 3.5Å; I175-Y178 WeakPolarHBondContact O-CB 3.41Å; I175-Y178 PolarHBondContact O-N 2.9Å; I175-F179 HydrophobicContact CG2-CD2 3.85Å; I175-F179 HydrophobicContact CG2-CE2 3.72Å; I175-F179 VanDerWaalsContact O-CD2 3.31Å; I175-F179 WeakPolarHBondContact O-CD2 3.12Å; I175-F179 PolarHBondContact O-N 3.44Å; I175-F179 VanDerWaalsContact O-N 3.12Å; I175-F247 HydrophobicContact CB-CE1 4.3Å; I175-F247 HydrophobicContact CD1-CE1 4.04Å; I175-F247 HydrophobicContact CG2-CD1 3.9Å; I175-F247 HydrophobicContact CG2-CE1 4.06Å; I175-V268 HydrophobicContact CD1-CG2 4.26Å; I175-V268 HydrophobicContact CG2-CG1 3.7Å; I175-V268 HydrophobicContact CG2-CG2 4.2Å; I175-A292 HydrophobicContact CG1-CB 3.85Å; I175-F458 HydrophobicContact CD1-CD2 3.73Å; I175-F458 HydrophobicContact CD1-CE2 3.66Å
176	H	98.8	Very high	98.6	Very high	45 Å²	45	43.6 Å²	43.6	21%	0.208	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-39.7	175.1	-78.7	-60.6	0	0	0	112.6	T172 K180 Q186 Y245	T172-H176 PolarHBondContact O-CD2 3.43Å; T172-H176 PolarHBondContact O-N 2.99Å; T172-H176 VanDerWaalsContact O-N 3.09Å; H176-K180 VanDerWaalsContact O-CB 3.24Å; H176-K180 WeakPolarHBondContact O-CB 3.36Å; H176-K180 PolarHBondContact O-N 3.35Å; H176-Q186 PolarHBondContact CE1-NE2 2.9Å; H176-Y245 AromaticContact ND1-CE2 3.64Å; H176-Y245 AromaticContact ND1-CZ 3.7Å; H176-Y245 PolarHBondContact ND1-OH 3.1Å
177	S	98.6	Very high	98.7	Very high	34 Å²	34	42.9 Å²	42.9	24%	0.238	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-39.3	179.2	-59.2	0	0	0	0	111.9	A173 A174 I175 N181 R295	A173-S177 VanDerWaalsContact O-CB 3.31Å; A173-S177 WeakPolarHBondContact O-CB 3.16Å; A173-S177 PolarHBondContact O-N 3.3Å; A173-S177 PolarHBondContact O-OG 2.76Å; A174-S177 PolarHBondContact O-N 3.01Å; I175-S177 VanDerWaalsContact C-N 3.26Å; I175-S177 PolarHBondContact O-N 3.5Å; S177-N181 WeakPolarHBondContact O-CB 3.32Å; S177-N181 PolarHBondContact O-N 2.87Å; S177-N181 PolarHBondContact O-ND2 3.27Å; S177-N181 PolarHBondContact O-OD1 2.69Å; S177-R295 PolarHBondContact OG-NH1 3.14Å
178	Y	98.8	Very high	98.6	Very high	14 Å²	14	50.4 Å²	50.4	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-57.2	-55.5	174.2	169.7	-95.3	0	0	0	110.8	A174 I175 K180 N181 N182 V284 D287 V288	A174-Y178 PolarHBondContact O-N 3.29Å; I175-Y178 WeakPolarHBondContact O-CB 3.41Å; I175-Y178 PolarHBondContact O-N 2.9Å; Y178-K180 PolarHBondContact O-N 3.48Å; Y178-N181 PolarHBondContact O-N 2.87Å; Y178-N182 VanDerWaalsContact CD2-ND2 3.31Å; Y178-N182 WeakPolarHBondContact CD2-ND2 3.45Å; Y178-N182 WeakPolarHBondContact CE2-ND2 3.46Å; Y178-N182 WeakPolarHBondContact O-CB 3.36Å; Y178-N182 PolarHBondContact O-N 3.34Å; Y178-N182 PolarHBondContact O-ND2 3.01Å; Y178-V284 HydrophobicContact CE1-CG1 4.41Å; Y178-V284 PolarHBondContact OH-O 3.14Å; Y178-D287 HydrophobicContact CE2-CB 3.79Å; Y178-D287 VanDerWaalsContact OH-CB 3.23Å; Y178-D287 WeakPolarHBondContact OH-CB 3.25Å; Y178-V288 HydrophobicContact CD1-CB 3.63Å; Y178-V288 HydrophobicContact CD1-CG2 3.5Å; Y178-V288 VanDerWaalsContact CD1-CG2 3.5Å; Y178-V288 HydrophobicContact CE1-CB 3.48Å; Y178-V288 VanDerWaalsContact CE1-CB 3.48Å; Y178-V288 HydrophobicContact CE1-CG2 3.89Å; Y178-V288 HydrophobicContact CG-CB 4.22Å; Y178-V288 HydrophobicContact CG-CG2 4.04Å
179	F	98.8	Very high	98.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-44.7	-178.3	-78.3	-64.3	0	0	0	112.2	I175 N181 N182 G183 F184 Y245 V268 A270 V288 F454	I175-F179 HydrophobicContact CG2-CD2 3.85Å; I175-F179 HydrophobicContact CG2-CE2 3.72Å; I175-F179 VanDerWaalsContact O-CD2 3.31Å; I175-F179 WeakPolarHBondContact O-CD2 3.12Å; I175-F179 PolarHBondContact O-N 3.44Å; I175-F179 VanDerWaalsContact O-N 3.12Å; F179-N181 PolarHBondContact O-N 2.89Å; F179-N182 CarbonylContact O-C 3.54Å; F179-N182 PolarHBondContact O-N 3.23Å; F179-G183 PolarHBondContact O-N 3.11Å; F179-F184 HydrophobicContact CB-CB 3.94Å; F179-F184 HydrophobicContact CB-CG 4.37Å; F179-F184 HydrophobicContact CD1-CB 3.96Å; F179-F184 AromaticContact CD1-CD1 3.68Å; F179-F184 HydrophobicContact CD1-CD1 3.68Å; F179-F184 AromaticContact CD1-CD2 3.75Å; F179-F184 HydrophobicContact CD1-CD2 3.75Å; F179-F184 HydrophobicContact CD1-CE1 4.06Å; F179-F184 HydrophobicContact CD1-CE2 4.1Å; F179-F184 AromaticContact CD1-CG 3.53Å; F179-F184 HydrophobicContact CD1-CG 3.53Å; F179-F184 HydrophobicContact CD1-CZ 4.25Å; F179-F184 HydrophobicContact CE1-CD1 4.06Å; F179-F184 HydrophobicContact CE1-CE1 4.04Å; F179-F184 HydrophobicContact CE1-CE2 4.5Å; F179-F184 HydrophobicContact CE1-CG 4.33Å; F179-F184 HydrophobicContact CE1-CZ 4.27Å; F179-F184 HydrophobicContact CG-CB 4.4Å; F179-F184 HydrophobicContact CG-CG 4.41Å; F179-F184 WeakPolarHBondContact O-CB 3.32Å; F179-F184 PolarHBondContact O-N 3.43Å; F179-Y245 HydrophobicContact CB-CD1 3.66Å; F179-Y245 HydrophobicContact CB-CD2 4.04Å; F179-Y245 HydrophobicContact CB-CE1 3.5Å; F179-Y245 VanDerWaalsContact CB-CE1 3.5Å; F179-Y245 HydrophobicContact CB-CE2 3.9Å; F179-Y245 HydrophobicContact CB-CG 3.91Å; F179-Y245 HydrophobicContact CD1-CD1 4.26Å; F179-Y245 HydrophobicContact CD1-CD2 4.35Å; F179-Y245 AromaticContact CD1-CG 3.94Å; F179-Y245 HydrophobicContact CD1-CG 3.94Å; F179-Y245 HydrophobicContact CD2-CD1 4.46Å; F179-Y245 AromaticContact CD2-CD2 3.39Å; F179-Y245 HydrophobicContact CD2-CD2 3.39Å; F179-Y245 AromaticContact CD2-CE2 3.65Å; F179-Y245 HydrophobicContact CD2-CE2 3.65Å; F179-Y245 AromaticContact CD2-CG 3.84Å; F179-Y245 HydrophobicContact CD2-CG 3.84Å; F179-Y245 HydrophobicContact CE1-CG 4.42Å; F179-Y245 AromaticContact CE2-CD2 3.88Å; F179-Y245 HydrophobicContact CE2-CD2 3.88Å; F179-Y245 HydrophobicContact CE2-CE2 4.47Å; F179-Y245 HydrophobicContact CE2-CG 4.33Å; F179-Y245 AromaticContact CG-CD1 3.89Å; F179-Y245 HydrophobicContact CG-CD1 3.89Å; F179-Y245 AromaticContact CG-CD2 3.67Å; F179-Y245 HydrophobicContact CG-CD2 3.67Å; F179-Y245 HydrophobicContact CG-CE1 4.16Å; F179-Y245 AromaticContact CG-CE2 3.97Å; F179-Y245 HydrophobicContact CG-CE2 3.97Å; F179-Y245 AromaticContact CG-CG 3.62Å; F179-Y245 HydrophobicContact CG-CG 3.62Å; F179-V268 HydrophobicContact CD2-CG1 4.49Å; F179-V268 HydrophobicContact CE2-CG1 3.47Å; F179-V268 VanDerWaalsContact CE2-CG1 3.47Å; F179-V268 HydrophobicContact CZ-CG1 4.01Å; F179-A270 HydrophobicContact CE1-CB 3.71Å; F179-A270 HydrophobicContact CZ-CB 3.98Å; F179-V288 HydrophobicContact CE2-CG2 4.05Å; F179-V288 HydrophobicContact CZ-CG2 4.26Å; F179-F454 HydrophobicContact CZ-CZ 4.23Å
180	K	98.4	Very high	98.5	Very high	162 Å²	162	49.1 Å²	49.1	70%	0.704	27%	0.27	S	S	*	.	H	α-helix	trans	-58.8	-45.6	176.5	-177.8	177	-179.8	177.6	0	112.2	H176 Y178 N182 G183	H176-K180 VanDerWaalsContact O-CB 3.24Å; H176-K180 WeakPolarHBondContact O-CB 3.36Å; H176-K180 PolarHBondContact O-N 3.35Å; Y178-K180 PolarHBondContact O-N 3.48Å; K180-N182 PolarHBondContact O-N 2.62Å; K180-G183 PolarHBondContact O-N 3.14Å
181	N	98.5	Very high	98.5	Very high	129 Å²	129	50.7 Å²	50.7	69%	0.69	28%	0.279	S	S	*	.	H	α-helix	trans	-70.7	-22.8	-178.8	-68	-13	0	0	0	112.6	S177 Y178 F179	S177-N181 WeakPolarHBondContact O-CB 3.32Å; S177-N181 PolarHBondContact O-N 2.87Å; S177-N181 PolarHBondContact O-ND2 3.27Å; S177-N181 PolarHBondContact O-OD1 2.69Å; Y178-N181 PolarHBondContact O-N 2.87Å; F179-N181 PolarHBondContact O-N 2.89Å
182	N	98.4	Very high	98.4	Very high	63 Å²	63	54.3 Å²	54.3	34%	0.337	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.1	178.1	-72.3	-75.8	0	0	0	113.9	Y178 F179 K180 F184 R243	Y178-N182 VanDerWaalsContact CD2-ND2 3.31Å; Y178-N182 WeakPolarHBondContact CD2-ND2 3.45Å; Y178-N182 WeakPolarHBondContact CE2-ND2 3.46Å; Y178-N182 WeakPolarHBondContact O-CB 3.36Å; Y178-N182 PolarHBondContact O-N 3.34Å; Y178-N182 PolarHBondContact O-ND2 3.01Å; F179-N182 CarbonylContact O-C 3.54Å; F179-N182 PolarHBondContact O-N 3.23Å; K180-N182 PolarHBondContact O-N 2.62Å; N182-F184 HydrophobicContact CB-CD2 4.01Å; N182-F184 HydrophobicContact CB-CE2 4.08Å; N182-R243 PolarHBondContact O-NH1 3.14Å
183	G	98	Very high	98.1	Very high	55 Å²	55	53 Å²	53	57%	0.567	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	16.2	171.2	0	0	0	0	0	115.2	F179 K180	F179-G183 PolarHBondContact O-N 3.11Å; K180-G183 PolarHBondContact O-N 3.14Å
184	F	98.7	Very high	97.7	Very high	13 Å²	13	54.3 Å²	54.3	6%	0.057	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-80	141.2	175.4	-71.6	-110.4	0	0	0	111.3	F179 N182 R243 Y245 A270 I272 V284	F179-F184 HydrophobicContact CB-CB 3.94Å; F179-F184 HydrophobicContact CB-CG 4.37Å; F179-F184 HydrophobicContact CD1-CB 3.96Å; F179-F184 AromaticContact CD1-CD1 3.68Å; F179-F184 HydrophobicContact CD1-CD1 3.68Å; F179-F184 AromaticContact CD1-CD2 3.75Å; F179-F184 HydrophobicContact CD1-CD2 3.75Å; F179-F184 HydrophobicContact CD1-CE1 4.06Å; F179-F184 HydrophobicContact CD1-CE2 4.1Å; F179-F184 AromaticContact CD1-CG 3.53Å; F179-F184 HydrophobicContact CD1-CG 3.53Å; F179-F184 HydrophobicContact CD1-CZ 4.25Å; F179-F184 HydrophobicContact CE1-CD1 4.06Å; F179-F184 HydrophobicContact CE1-CE1 4.04Å; F179-F184 HydrophobicContact CE1-CE2 4.5Å; F179-F184 HydrophobicContact CE1-CG 4.33Å; F179-F184 HydrophobicContact CE1-CZ 4.27Å; F179-F184 HydrophobicContact CG-CB 4.4Å; F179-F184 HydrophobicContact CG-CG 4.41Å; F179-F184 WeakPolarHBondContact O-CB 3.32Å; F179-F184 PolarHBondContact O-N 3.43Å; N182-F184 HydrophobicContact CB-CD2 4.01Å; N182-F184 HydrophobicContact CB-CE2 4.08Å; F184-R243 WeakPolarHBondContact CA-O 3.26Å; F184-R243 HydrophobicContact CB-CB 4.38Å; F184-R243 HydrophobicContact CD1-CB 3.67Å; F184-R243 HydrophobicContact CD2-CB 4.14Å; F184-R243 HydrophobicContact CE1-CB 3.89Å; F184-R243 HydrophobicContact CE1-CG 4.31Å; F184-R243 HydrophobicContact CE2-CB 4.36Å; F184-R243 HydrophobicContact CE2-CG 4.43Å; F184-R243 HydrophobicContact CG-CB 3.78Å; F184-R243 HydrophobicContact CZ-CB 4.23Å; F184-R243 HydrophobicContact CZ-CG 4.25Å; F184-Y245 HydrophobicContact CB-CD1 3.73Å; F184-Y245 HydrophobicContact CB-CE1 4.29Å; F184-A270 HydrophobicContact CE1-CB 4.1Å; F184-I272 HydrophobicContact CE1-CD1 4.25Å; F184-I272 HydrophobicContact CE1-CG1 3.83Å; F184-I272 HydrophobicContact CZ-CD1 3.97Å; F184-I272 HydrophobicContact CZ-CG1 4Å; F184-V284 HydrophobicContact CZ-CG1 4.12Å
185	V	98.7	Very high	97	Very high	59 Å²	59	55.1 Å²	55.1	36%	0.358	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.1	171.5	-176.9	0	0	0	0	109.3	I187 F241 R243 V244 Y245	V185-I187 HydrophobicContact CG1-CD1 4Å; V185-I187 PolarHBondContact O-N 2.96Å; V185-F241 HydrophobicContact CG2-CD1 4Å; V185-F241 HydrophobicContact CG2-CG 4.46Å; V185-R243 PolarHBondContact N-O 3.32Å; V185-V244 HydrophobicContact CB-CG1 4.47Å; V185-V244 WeakPolarHBondContact O-CA 3.2Å; V185-Y245 PolarHBondContact O-N 3.08Å
186	Q	98.6	Very high	96.3	Very high	80 Å²	80	56.5 Å²	56.5	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126	174.4	-170.9	-180	-3	0	0	110	H176 H188 Y245	H176-Q186 PolarHBondContact CE1-NE2 2.9Å; Q186-H188 PolarHBondContact NE2-NE2 3.11Å; Q186-Y245 CarbonylContact C-O 3.56Å; Q186-Y245 VanDerWaalsContact CA-CE1 3.46Å; Q186-Y245 WeakPolarHBondContact CA-O 3.39Å; Q186-Y245 HydrophobicContact CB-CD1 4.22Å; Q186-Y245 HydrophobicContact CB-CE1 3.49Å; Q186-Y245 VanDerWaalsContact CB-CE1 3.49Å; Q186-Y245 HydrophobicContact CG-CE1 4.04Å; Q186-Y245 HydrophobicContact CG-CE2 4.26Å
187	I	98.6	Very high	95.3	Very high	24 Å²	24	54.5 Å²	54.5	12%	0.123	30%	0.299	C	S	.	.			trans	-112.2	131.2	175.7	-54.9	-56.3	0	0	0	108.1	V185 T189 L234 M237 V244 Y245 T246	V185-I187 HydrophobicContact CG1-CD1 4Å; V185-I187 PolarHBondContact O-N 2.96Å; I187-T189 HydrophobicContact CG2-CG2 4.18Å; I187-T189 PolarHBondContact O-N 3.45Å; I187-L234 HydrophobicContact CB-CD2 3.84Å; I187-L234 HydrophobicContact CG1-CD2 4.17Å; I187-L234 HydrophobicContact CG2-CD2 4.27Å; I187-M237 HydrophobicContact CD1-CB 4.27Å; I187-M237 HydrophobicContact CD1-CE 3.88Å; I187-M237 HydrophobicContact CD1-CG 4.08Å; I187-M237 HydrophobicContact CG1-CB 4.09Å; I187-M237 HydrophobicContact CG1-CG 3.98Å; I187-M237 HydrophobicContact CG2-CG 3.8Å; I187-V244 HydrophobicContact CD1-CG1 4.3Å; I187-V244 HydrophobicContact CG1-CB 3.84Å; I187-V244 HydrophobicContact CG1-CG1 3.94Å; I187-Y245 PolarHBondContact N-O 3.44Å; I187-T246 VanDerWaalsContact O-CB 3.26Å; I187-T246 WeakPolarHBondContact O-CB 3.5Å; I187-T246 PolarHBondContact O-OG1 2.97Å; I187-T246 VanDerWaalsContact O-OG1 3.12Å
188	H	98.4	Very high	94.2	Very high	157 Å²	157	55.4 Å²	55.4	73%	0.727	30%	0.3	S	S	*	.			trans	-89.1	99.5	167.7	-67.5	168.5	0	0	0	108.7	Q186	Q186-H188 PolarHBondContact NE2-NE2 3.11Å
189	T	97.8	Very high	92.7	Very high	22 Å²	22	57.2 Å²	57.2	14%	0.135	32%	0.323	C	S	.	.			trans	-73.2	148.1	175.6	51.7	0	0	0	0	110.7	I187 H233 L234 T246	I187-T189 HydrophobicContact CG2-CG2 4.18Å; I187-T189 PolarHBondContact O-N 3.45Å; T189-H233 HydrophobicContact CG2-CB 3.83Å; T189-L234 HydrophobicContact CG2-CD2 3.95Å; T189-L234 HydrophobicContact CG2-CG 4.18Å; T189-T246 HydrophobicContact CG2-CG2 4.1Å; T189-T246 PolarHBondContact OG1-OG1 3.35Å
190	P	97.1	Very high	91.1	Very high	55 Å²	55	60.3 Å²	60.3	36%	0.357	35%	0.349	S	S	.	.			trans	-67.6	144	179.6	28.7	-34.3	0	0	0	111.3	H233	P190-H233 VanDerWaalsContact CG-CE1 3.43Å; P190-H233 WeakPolarHBondContact CG-CE1 3.41Å; P190-H233 WeakPolarHBondContact CG-NE2 3.35Å
191	I	97.4	Very high	89.7	Confident	74 Å²	74	55.4 Å²	55.4	38%	0.379	34%	0.344	S	S	.	.	S	Bend	trans	-86.9	-41.6	175.8	-67.2	169	0	0	0	111	L226 T227 P249 F251	I191-L226 HydrophobicContact CG2-CD2 3.92Å; I191-T227 WeakPolarHBondContact O-CB 3.42Å; I191-T227 PolarHBondContact O-N 3.32Å; I191-P249 HydrophobicContact CD1-CG 3.67Å; I191-P249 HydrophobicContact CG1-CG 4.19Å; I191-F251 HydrophobicContact CG2-CE2 3.66Å; I191-F251 HydrophobicContact CG2-CZ 4.28Å
192	I	96.6	Very high	89	Confident	76 Å²	76	52.8 Å²	52.8	39%	0.39	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.4	175	-58.4	174.5	0	0	0	107.7	V206 F220 A224 F225	I192-V206 HydrophobicContact CD1-CG1 4.45Å; I192-F220 HydrophobicContact CD1-CZ 4.5Å; I192-F220 HydrophobicContact CG2-CD2 4.43Å; I192-F220 HydrophobicContact CG2-CE2 3.75Å; I192-F220 HydrophobicContact CG2-CZ 4.2Å; I192-A224 HydrophobicContact CG2-CB 3.84Å; I192-F225 CarbonylContact C-O 3.55Å; I192-F225 WeakPolarHBondContact CA-O 3.25Å
193	T	93.2	Very high	88.7	Confident	10 Å²	10	51.4 Å²	51.4	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.6	-173.8	-176.9	0	0	0	0	111	N195 F225	T193-N195 WeakPolarHBondContact CG2-O 3.32Å; T193-N195 WeakPolarHBondContact OG1-CB 3.33Å; T193-N195 PolarHBondContact OG1-N 3.34Å; T193-F225 PolarHBondContact N-O 3.07Å; T193-F225 PolarHBondContact O-N 2.97Å
194	S	90.5	Very high	88.5	Confident	64 Å²	64	52.5 Å²	52.5	45%	0.448	31%	0.309	S	S	.	.	S	Bend	trans	-92	-2.6	165.9	57.1	0	0	0	0	112.6	P223	S194-P223 WeakPolarHBondContact CB-O 3.24Å
195	N	83.9	Confident	88.3	Confident	18 Å²	18	57.3 Å²	57.3	10%	0.096	33%	0.331	C	S	.	.			trans	-96.5	135.9	-173.4	-54	-36.4	0	0	0	111.3	T193 L232 Y437	T193-N195 WeakPolarHBondContact CG2-O 3.32Å; T193-N195 WeakPolarHBondContact OG1-CB 3.33Å; T193-N195 PolarHBondContact OG1-N 3.34Å; N195-L232 HydrophobicContact CB-CD1 4.44Å; N195-Y437 HydrophobicContact CB-CE1 4.36Å
196	D	83.6	Confident	88	Confident	32 Å²	32	56.7 Å²	56.7	17%	0.171	33%	0.328	C	S	.	.			trans	-96.3	100	161.2	-169.1	-9.8	0	0	0	108.8	E198 G199 G201 L203 Y437	D196-E198 PolarHBondContact OD1-N 3.49Å; D196-G199 VanDerWaalsContact CG-N 3.33Å; D196-G199 PolarHBondContact OD1-N 2.67Å; D196-G199 WeakPolarHBondContact OD2-CA 3.43Å; D196-G201 PolarHBondContact OD2-N 2.71Å; D196-G201 VanDerWaalsContact OD2-N 3.1Å; D196-L203 HydrophobicContact CB-CD1 3.86Å; D196-Y437 PolarHBondContact N-OH 3.49Å; D196-Y437 PolarHBondContact O-OH 3.41Å
197	C	79.3	Confident	87.7	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.02	34%	0.337	C	S	.	.	S	Bend	trans	-68.1	-40.5	-177.2	-177	0	0	0	0	112.1	V228 L232 Y386	C197-V228 HydrophobicContact CB-CG2 3.91Å; C197-L232 HydrophobicContact CB-CD1 4.32Å; C197-L232 HydrophobicContact CB-CG 4.28Å; C197-Y386 WeakPolarHBondContact O-CE1 3.31Å
198	E	75.1	Confident	87.2	Confident	54 Å²	54	61 Å²	61	25%	0.252	35%	0.354	S	S	.	.	S	Bend	trans	-91.9	-17.8	-174.5	-66	-176.4	175.5	0	0	112	D196 A200 V228 R252	D196-E198 PolarHBondContact OD1-N 3.49Å; E198-A200 PolarHBondContact O-N 2.71Å; E198-V228 HydrophobicContact CB-CG2 4.19Å; E198-V228 HydrophobicContact CG-CG2 3.94Å; E198-R252 VanDerWaalsContact CD-NH2 3.35Å; E198-R252 IonicContact OE1-CZ 2.75Å; E198-R252 IonicContact OE1-NE 2.96Å; E198-R252 IonicContact OE1-NH2 3.31Å; E198-R252 PolarHBondContact OE1-NH2 3.05Å; E198-R252 IonicContact OE2-CZ 3.74Å; E198-R252 IonicContact OE2-NE 3.2Å; E198-R252 PolarHBondContact OE2-NE 2.84Å; E198-R252 IonicContact OE2-NH2 2.81Å; E198-R252 PolarHBondContact OE2-NH2 3.05Å; E198-R252 VanDerWaalsContact OE2-NH2 3.13Å
199	G	67.4	Low	86.6	Confident	52 Å²	52	59.9 Å²	59.9	54%	0.536	36%	0.363	S	S	.	.			trans	71	12.4	177.4	0	0	0	0	0	113.8	D196	D196-G199 VanDerWaalsContact CG-N 3.33Å; D196-G199 PolarHBondContact OD1-N 2.67Å; D196-G199 WeakPolarHBondContact OD2-CA 3.43Å
200	A	65.1	Low	85.8	Confident	65 Å²	65	61.1 Å²	61.1	54%	0.537	38%	0.381	S	S	.	.	S	Bend	trans	-85.8	-9.1	-176.4	0	0	0	0	0	113	E198 E202	E198-A200 PolarHBondContact O-N 2.71Å; A200-E202 PolarHBondContact O-N 2.8Å
201	G	69.6	Low	84.6	Confident	58 Å²	58	64.7 Å²	64.7	60%	0.598	40%	0.404	S	S	*	.			trans	71.8	3.3	177.1	0	0	0	0	0	115.4	D196 L203	D196-G201 PolarHBondContact OD2-N 2.71Å; D196-G201 VanDerWaalsContact OD2-N 3.1Å; G201-L203 PolarHBondContact O-N 2.96Å
202	E	83.2	Confident	83.1	Confident	74 Å²	74	65.2 Å²	65.2	35%	0.346	42%	0.419	S	S	.	.			trans	-84	55.8	178.7	-59.3	-164.4	139.6	0	0	112.2	A200 A253 E254	A200-E202 PolarHBondContact O-N 2.8Å; E202-A253 WeakPolarHBondContact O-CB 3.34Å; E202-A253 PolarHBondContact O-N 2.75Å; E202-E254 WeakPolarHBondContact OE1-CG 3.36Å; E202-E254 WeakPolarHBondContact OE2-CB 3.36Å
203	L	91.4	Very high	81.5	Confident	34 Å²	34	66.3 Å²	66.3	18%	0.178	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-100.7	142.6	-174.7	-58.2	177.9	0	0	0	112.6	D196 G201 F225 V228	D196-L203 HydrophobicContact CB-CD1 3.86Å; G201-L203 PolarHBondContact O-N 2.96Å; L203-F225 HydrophobicContact CB-CB 4.18Å; L203-F225 HydrophobicContact CB-CD1 3.8Å; L203-F225 HydrophobicContact CB-CG 4.12Å; L203-F225 HydrophobicContact CD1-CB 4.24Å; L203-F225 HydrophobicContact CD1-CD1 4Å; L203-F225 HydrophobicContact CD1-CD2 4.01Å; L203-F225 HydrophobicContact CD1-CE1 4.38Å; L203-F225 HydrophobicContact CD1-CE2 4.38Å; L203-F225 HydrophobicContact CD1-CG 3.81Å; L203-V228 HydrophobicContact CD2-CG1 3.45Å; L203-V228 VanDerWaalsContact CD2-CG1 3.45Å; L203-V228 HydrophobicContact CD2-CG2 4.5Å
204	F	94.5	Very high	80	Confident	79 Å²	79	72.7 Å²	72.7	35%	0.346	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-87	122.2	163.8	-73.8	-78.1	0	0	0	109.9	F225 L226 F251 R252 A253 A263	F204-F225 CarbonylContact O-C 3.48Å; F204-F225 WeakPolarHBondContact O-CA 3.39Å; F204-F225 WeakPolarHBondContact O-CB 3.45Å; F204-L226 HydrophobicContact CB-CB 4.18Å; F204-L226 HydrophobicContact CB-CD1 3.9Å; F204-L226 HydrophobicContact CB-CG 4.12Å; F204-L226 HydrophobicContact CG-CD1 4.42Å; F204-L226 PolarHBondContact O-N 3.39Å; F204-F251 HydrophobicContact CD2-CB 3.96Å; F204-F251 HydrophobicContact CE2-CB 4.44Å; F204-R252 WeakPolarHBondContact CE2-O 3.24Å; F204-A253 HydrophobicContact CD1-CB 4.27Å; F204-A253 HydrophobicContact CD2-CB 3.95Å; F204-A253 HydrophobicContact CE1-CB 4.13Å; F204-A253 HydrophobicContact CE2-CB 3.82Å; F204-A253 HydrophobicContact CG-CB 4.18Å; F204-A253 HydrophobicContact CZ-CB 3.9Å; F204-A263 HydrophobicContact CE2-CB 4.09Å; F204-A263 HydrophobicContact CZ-CB 3.98Å
205	Q	93.9	Very high	79	Confident	113 Å²	113	77.4 Å²	77.4	53%	0.528	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-78.5	139.5	174.3	-174.5	167.5	-12.7	0	0	111.4	E207 F225	Q205-E207 HydrophobicContact CG-CG 4.17Å; Q205-E207 PolarHBondContact NE2-OE1 2.95Å; Q205-F225 HydrophobicContact CB-CD1 4.15Å; Q205-F225 HydrophobicContact CB-CE1 4.24Å; Q205-F225 HydrophobicContact CG-CE1 4.34Å
206	V	93.4	Very high	78.3	Confident	46 Å²	46	79 Å²	79	28%	0.279	50%	0.497	S	S	.	.			trans	-114.8	118.6	-178.6	-178.8	0	0	0	0	109.5	I192 A224 L226	I192-V206 HydrophobicContact CD1-CG1 4.45Å; V206-A224 PolarHBondContact N-O 3.16Å; V206-L226 HydrophobicContact CG2-CD2 3.65Å; V206-L226 HydrophobicContact CG2-CG 3.7Å
207	E	91.4	Very high	77.9	Confident	122 Å²	122	87 Å²	87	57%	0.57	53%	0.531	S	S	*	.			trans	-131.8	145.2	179.6	-64.5	-176.7	160.4	0	0	111.1	Q205	Q205-E207 HydrophobicContact CG-CG 4.17Å; Q205-E207 PolarHBondContact NE2-OE1 2.95Å
208	P	88.3	Confident	78.2	Confident	74 Å²	74	88.9 Å²	88.9	48%	0.481	54%	0.54	S	S	.	.			trans	-67.1	135.4	173.6	29.6	-34	0	0	0	110	G210 F219	P208-G210 PolarHBondContact O-N 2.96Å; P208-F219 HydrophobicContact CB-CD2 4.29Å; P208-F219 HydrophobicContact CG-CB 4.08Å; P208-F219 HydrophobicContact CG-CD2 4.27Å
209	S	85.7	Confident	78.8	Confident	132 Å²	132	93.1 Å²	93.1	92%	0.923	56%	0.558	S	S	*	*	S	Bend	trans	-77.5	-7.9	177.6	-46.9	0	0	0	0	114.2
210	G	80.9	Confident	79.9	Confident	48 Å²	48	95.5 Å²	95.5	50%	0.495	55%	0.554	S	S	.	*	S	Bend	trans	-74.7	173.1	179.5	0	0	0	0	0	113	P208 A212	P208-G210 PolarHBondContact O-N 2.96Å; G210-A212 PolarHBondContact O-N 3.48Å
211	P	71.6	Confident	81	Confident	130 Å²	130	96.4 Å²	96.4	84%	0.844	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-58	132.5	174.3	25	-31.9	0	0	0	109.6	T213	P211-T213 PolarHBondContact O-N 3.39Å
212	A	67.1	Low	81.9	Confident	85 Å²	85	96.8 Å²	96.8	70%	0.702	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-53.8	129.9	175.1	0	0	0	0	0	109.3	G210 V214	G210-A212 PolarHBondContact O-N 3.48Å; A212-V214 PolarHBondContact O-N 3.1Å
213	T	62.2	Low	82.3	Confident	100 Å²	100	96.3 Å²	96.3	61%	0.613	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-62.9	133.3	167.8	42.2	0	0	0	0	108.1	P211 D215 D216	P211-T213 PolarHBondContact O-N 3.39Å; T213-D215 PolarHBondContact O-N 3.44Å; T213-D216 PolarHBondContact O-N 2.99Å; T213-D216 PolarHBondContact OG1-O 3.21Å
214	V	62	Low	82.4	Confident	144 Å²	144	95 Å²	95	87%	0.873	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.5	-169.9	-176.5	0	0	0	0	113	A212	A212-V214 PolarHBondContact O-N 3.1Å
215	D	68.8	Low	82.4	Confident	163 Å²	163	93.2 Å²	93.2	87%	0.872	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-12.3	-170.7	-60.6	-36.4	0	0	0	115.1	T213	T213-D215 PolarHBondContact O-N 3.44Å
216	D	68.9	Low	82.5	Confident	51 Å²	51	89.7 Å²	89.7	27%	0.273	52%	0.521	S	S	.	.			trans	-143	129.1	179.5	-159	-22.3	0	0	0	111.6	T213 N218 S221	T213-D216 PolarHBondContact O-N 2.99Å; T213-D216 PolarHBondContact OG1-O 3.21Å; D216-N218 VanDerWaalsContact C-N 3.31Å; D216-N218 VanDerWaalsContact CG-O 3.23Å; D216-N218 PolarHBondContact OD1-N 2.92Å; D216-S221 WeakPolarHBondContact OD2-CA 3.32Å; D216-S221 WeakPolarHBondContact OD2-CB 3.49Å; D216-S221 PolarHBondContact OD2-OG 3.43Å
217	K	76.6	Confident	82.6	Confident	201 Å²	201	87.8 Å²	87.8	87%	0.874	51%	0.509	S	S	*	.	S	Bend	trans	-72.9	-25.9	178.2	-70.8	-176.1	178.7	179.3	0	112
218	N	84.9	Confident	82.8	Confident	42 Å²	42	82.2 Å²	82.2	23%	0.225	48%	0.484	C	S	.	.	S	Bend	trans	-116.5	143.8	-176	-63.3	-42.9	0	0	0	110.8	D216 F220 S221 V222	D216-N218 VanDerWaalsContact C-N 3.31Å; D216-N218 VanDerWaalsContact CG-O 3.23Å; D216-N218 PolarHBondContact OD1-N 2.92Å; N218-F220 VanDerWaalsContact C-N 3.27Å; N218-F220 PolarHBondContact O-N 3.44Å; N218-S221 PolarHBondContact O-N 2.92Å; N218-V222 WeakPolarHBondContact CB-O 3.4Å
219	F	87.8	Confident	83.2	Confident	142 Å²	142	79 Å²	79	62%	0.623	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.2	177.1	-176.1	-89.7	0	0	0	113.2	P208	P208-F219 HydrophobicContact CB-CD2 4.29Å; P208-F219 HydrophobicContact CG-CB 4.08Å; P208-F219 HydrophobicContact CG-CD2 4.27Å
220	F	89.7	Confident	83.7	Confident	103 Å²	103	72.7 Å²	72.7	45%	0.452	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	17.5	-178.6	-61.7	-77.7	0	0	0	112.8	I192 N218 V222 A224	I192-F220 HydrophobicContact CD1-CZ 4.5Å; I192-F220 HydrophobicContact CG2-CD2 4.43Å; I192-F220 HydrophobicContact CG2-CE2 3.75Å; I192-F220 HydrophobicContact CG2-CZ 4.2Å; N218-F220 VanDerWaalsContact C-N 3.27Å; N218-F220 PolarHBondContact O-N 3.44Å; F220-V222 HydrophobicContact CB-CG2 4.24Å; F220-V222 PolarHBondContact O-N 3.13Å; F220-A224 HydrophobicContact CD2-CB 3.6Å; F220-A224 HydrophobicContact CE2-CB 4.05Å
221	S	89.2	Confident	84.5	Confident	83 Å²	83	71 Å²	71	58%	0.58	40%	0.398	S	S	*	.	S	Bend	trans	58.4	-0.1	-171.1	-52.4	0	0	0	0	115.7	D216 N218	D216-S221 WeakPolarHBondContact OD2-CA 3.32Å; D216-S221 WeakPolarHBondContact OD2-CB 3.49Å; D216-S221 PolarHBondContact OD2-OG 3.43Å; N218-S221 PolarHBondContact O-N 2.92Å
222	V	89.3	Confident	85.7	Confident	67 Å²	67	64.9 Å²	64.9	41%	0.406	36%	0.358	S	S	.	.	S	Bend	trans	-136.6	155.8	173.1	-61.5	0	0	0	0	108.9	N218 F220 A224	N218-V222 WeakPolarHBondContact CB-O 3.4Å; F220-V222 HydrophobicContact CB-CG2 4.24Å; F220-V222 PolarHBondContact O-N 3.13Å; V222-A224 PolarHBondContact O-N 2.89Å
223	P	90.1	Very high	87.2	Confident	64 Å²	64	63.1 Å²	63.1	42%	0.416	34%	0.335	S	S	.	.			trans	-55.5	137.6	170.6	-24.2	35	0	0	0	110.9	S194 F225	S194-P223 WeakPolarHBondContact CB-O 3.24Å; P223-F225 HydrophobicContact CB-CE2 3.78Å; P223-F225 HydrophobicContact CB-CZ 3.63Å
224	A	93.4	Very high	88.9	Confident	7 Å²	7	58.4 Å²	58.4	6%	0.058	31%	0.306	C	S	.	.			trans	-122.5	140.4	-179.8	0	0	0	0	0	110.4	I192 V206 F220 V222	I192-A224 HydrophobicContact CG2-CB 3.84Å; V206-A224 PolarHBondContact N-O 3.16Å; F220-A224 HydrophobicContact CD2-CB 3.6Å; F220-A224 HydrophobicContact CE2-CB 4.05Å; V222-A224 PolarHBondContact O-N 2.89Å
225	F	95.3	Very high	90.6	Very high	41 Å²	41	51.8 Å²	51.8	18%	0.18	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.9	-174.1	-50.9	-79.3	0	0	0	110.8	I192 T193 L203 F204 Q205 P223	I192-F225 CarbonylContact C-O 3.55Å; I192-F225 WeakPolarHBondContact CA-O 3.25Å; T193-F225 PolarHBondContact N-O 3.07Å; T193-F225 PolarHBondContact O-N 2.97Å; L203-F225 HydrophobicContact CB-CB 4.18Å; L203-F225 HydrophobicContact CB-CD1 3.8Å; L203-F225 HydrophobicContact CB-CG 4.12Å; L203-F225 HydrophobicContact CD1-CB 4.24Å; L203-F225 HydrophobicContact CD1-CD1 4Å; L203-F225 HydrophobicContact CD1-CD2 4.01Å; L203-F225 HydrophobicContact CD1-CE1 4.38Å; L203-F225 HydrophobicContact CD1-CE2 4.38Å; L203-F225 HydrophobicContact CD1-CG 3.81Å; F204-F225 CarbonylContact O-C 3.48Å; F204-F225 WeakPolarHBondContact O-CA 3.39Å; F204-F225 WeakPolarHBondContact O-CB 3.45Å; Q205-F225 HydrophobicContact CB-CD1 4.15Å; Q205-F225 HydrophobicContact CB-CE1 4.24Å; Q205-F225 HydrophobicContact CG-CE1 4.34Å; P223-F225 HydrophobicContact CB-CE2 3.78Å; P223-F225 HydrophobicContact CB-CZ 3.63Å
226	L	96.8	Very high	92	Very high	39 Å²	39	46.9 Å²	46.9	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134	163.6	-61.2	178.9	0	0	0	109.7	I191 F204 V206 F251	I191-L226 HydrophobicContact CG2-CD2 3.92Å; F204-L226 HydrophobicContact CB-CB 4.18Å; F204-L226 HydrophobicContact CB-CD1 3.9Å; F204-L226 HydrophobicContact CB-CG 4.12Å; F204-L226 HydrophobicContact CG-CD1 4.42Å; F204-L226 PolarHBondContact O-N 3.39Å; V206-L226 HydrophobicContact CG2-CD2 3.65Å; V206-L226 HydrophobicContact CG2-CG 3.7Å; L226-F251 HydrophobicContact CB-CB 3.84Å; L226-F251 HydrophobicContact CB-CD1 4.35Å; L226-F251 HydrophobicContact CB-CD2 3.59Å; L226-F251 HydrophobicContact CB-CE2 4.24Å; L226-F251 HydrophobicContact CB-CG 3.66Å; L226-F251 HydrophobicContact CD1-CB 4.4Å; L226-F251 HydrophobicContact CD1-CD1 3.62Å; L226-F251 HydrophobicContact CD1-CD2 4.24Å; L226-F251 HydrophobicContact CD1-CE1 3.84Å; L226-F251 HydrophobicContact CD1-CE2 4.46Å; L226-F251 HydrophobicContact CD1-CG 3.82Å; L226-F251 HydrophobicContact CD1-CZ 4.26Å; L226-F251 HydrophobicContact CD2-CE2 4.47Å; L226-F251 HydrophobicContact CG-CD2 4.37Å; L226-F251 HydrophobicContact CG-CG 4.33Å
227	T	96	Very high	93.3	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.031	24%	0.243	C	C	.	.			trans	-66.4	137.4	-174	-167.2	0	0	0	0	113.2	I191 S229 T250 F251	I191-T227 WeakPolarHBondContact O-CB 3.42Å; I191-T227 PolarHBondContact O-N 3.32Å; T227-S229 PolarHBondContact OG1-N 3.19Å; T227-S229 PolarHBondContact OG1-O 3.38Å; T227-T250 WeakPolarHBondContact O-CA 3.41Å; T227-F251 PolarHBondContact O-N 3.22Å
228	V	94.8	Very high	94.2	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	20%	0.204	C	C	.	.	S	Bend	trans	-82.7	-25.1	168.2	-65.4	0	0	0	0	111.8	C197 E198 L203 T250 F251 R252	C197-V228 HydrophobicContact CB-CG2 3.91Å; E198-V228 HydrophobicContact CB-CG2 4.19Å; E198-V228 HydrophobicContact CG-CG2 3.94Å; L203-V228 HydrophobicContact CD2-CG1 3.45Å; L203-V228 VanDerWaalsContact CD2-CG1 3.45Å; L203-V228 HydrophobicContact CD2-CG2 4.5Å; V228-T250 WeakPolarHBondContact O-CB 3.38Å; V228-T250 WeakPolarHBondContact O-CG2 3.26Å; V228-F251 VanDerWaalsContact CG1-O 3.25Å; V228-F251 WeakPolarHBondContact CG1-O 3.23Å; V228-R252 HydrophobicContact CG1-CG 4.44Å
229	S	96.3	Very high	94.6	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.042	23%	0.229	C	C	.	.			trans	-163.5	142.4	-175.4	168.1	0	0	0	0	111.7	T227 Q231 E269	T227-S229 PolarHBondContact OG1-N 3.19Å; T227-S229 PolarHBondContact OG1-O 3.38Å; S229-Q231 VanDerWaalsContact C-N 3.3Å; S229-Q231 WeakPolarHBondContact OG-CB 3.36Å; S229-Q231 PolarHBondContact OG-N 2.81Å; S229-E269 WeakPolarHBondContact CA-OE1 3.42Å; S229-E269 VanDerWaalsContact CB-OE1 3.29Å; S229-E269 WeakPolarHBondContact CB-OE1 3.27Å; S229-E269 PolarHBondContact OG-OE1 3.46Å
230	G	97.1	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-81.8	-3.4	171.6	0	0	0	0	0	114.3	L232 H233 L234 E269	G230-L232 PolarHBondContact O-N 3.47Å; G230-H233 WeakPolarHBondContact O-CB 3.23Å; G230-H233 PolarHBondContact O-N 3.1Å; G230-L234 PolarHBondContact O-N 2.82Å; G230-L234 VanDerWaalsContact O-N 3.12Å; G230-E269 WeakPolarHBondContact CA-OE2 3.43Å; G230-E269 PolarHBondContact N-OE1 3.12Å; G230-E269 PolarHBondContact N-OE2 3.3Å
231	Q	97.8	Very high	95.4	Very high	13 Å²	13	36 Å²	36	6%	0.061	23%	0.228	C	C	.	.	H	α-helix	trans	-50.9	-53.4	-168.2	-176.3	-169.9	-69.6	0	0	113.8	S229 H233 L234 E235 Y386 R417	S229-Q231 VanDerWaalsContact C-N 3.3Å; S229-Q231 WeakPolarHBondContact OG-CB 3.36Å; S229-Q231 PolarHBondContact OG-N 2.81Å; Q231-H233 PolarHBondContact O-N 3.15Å; Q231-H233 VanDerWaalsContact O-N 3.12Å; Q231-L234 WeakPolarHBondContact O-CA 3.33Å; Q231-L234 WeakPolarHBondContact O-CB 3.27Å; Q231-L234 PolarHBondContact O-N 3.25Å; Q231-E235 PolarHBondContact NE2-OE1 3.39Å; Q231-E235 VanDerWaalsContact NE2-OE1 3.17Å; Q231-E235 PolarHBondContact O-N 3.25Å; Q231-Y386 VanDerWaalsContact NE2-CZ 3.34Å; Q231-Y386 PolarHBondContact OE1-OH 2.79Å; Q231-R417 VanDerWaalsContact CD-NH1 3.28Å; Q231-R417 VanDerWaalsContact CG-NH2 3.3Å; Q231-R417 VanDerWaalsContact OE1-CZ 3.25Å
232	L	96.1	Very high	95.7	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-30.7	-175.4	-53.9	-178.9	0	0	0	112.3	N195 C197 G230 V236 F385 Y386 Y437 W439 Y440	N195-L232 HydrophobicContact CB-CD1 4.44Å; C197-L232 HydrophobicContact CB-CD1 4.32Å; C197-L232 HydrophobicContact CB-CG 4.28Å; G230-L232 PolarHBondContact O-N 3.47Å; L232-V236 WeakPolarHBondContact O-CG2 3.26Å; L232-V236 PolarHBondContact O-N 2.98Å; L232-F385 HydrophobicContact CD2-CZ 4.43Å; L232-Y386 HydrophobicContact CD2-CD1 4.48Å; L232-Y437 HydrophobicContact CD1-CD1 4.41Å; L232-Y437 HydrophobicContact CD1-CE1 3.58Å; L232-W439 HydrophobicContact CB-CH2 3.88Å; L232-W439 HydrophobicContact CD1-CH2 4.45Å; L232-W439 HydrophobicContact CD1-CZ2 4.48Å; L232-Y440 HydrophobicContact CD2-CD2 4.26Å; L232-Y440 HydrophobicContact CD2-CE2 3.65Å
233	H	97.5	Very high	96.2	Very high	48 Å²	48	37.1 Å²	37.1	22%	0.222	22%	0.223	C	C	.	.	H	α-helix	trans	-74.6	-35.5	174.6	-62.8	91.6	0	0	0	111.7	T189 P190 G230 Q231 E235 V236 M237	T189-H233 HydrophobicContact CG2-CB 3.83Å; P190-H233 VanDerWaalsContact CG-CE1 3.43Å; P190-H233 WeakPolarHBondContact CG-CE1 3.41Å; P190-H233 WeakPolarHBondContact CG-NE2 3.35Å; G230-H233 WeakPolarHBondContact O-CB 3.23Å; G230-H233 PolarHBondContact O-N 3.1Å; Q231-H233 PolarHBondContact O-N 3.15Å; Q231-H233 VanDerWaalsContact O-N 3.12Å; H233-E235 VanDerWaalsContact C-N 3.3Å; H233-V236 WeakPolarHBondContact O-CB 3.2Å; H233-V236 PolarHBondContact O-N 3.5Å; H233-M237 WeakPolarHBondContact O-CG 3.48Å; H233-M237 PolarHBondContact O-N 3.39Å
234	L	98.4	Very high	96.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-36.5	172.4	-67	-175.3	0	0	0	111.8	I187 T189 G230 Q231 V236 M237 S238 V244 T246 E269 E271	I187-L234 HydrophobicContact CB-CD2 3.84Å; I187-L234 HydrophobicContact CG1-CD2 4.17Å; I187-L234 HydrophobicContact CG2-CD2 4.27Å; T189-L234 HydrophobicContact CG2-CD2 3.95Å; T189-L234 HydrophobicContact CG2-CG 4.18Å; G230-L234 PolarHBondContact O-N 2.82Å; G230-L234 VanDerWaalsContact O-N 3.12Å; Q231-L234 WeakPolarHBondContact O-CA 3.33Å; Q231-L234 WeakPolarHBondContact O-CB 3.27Å; Q231-L234 PolarHBondContact O-N 3.25Å; L234-V236 VanDerWaalsContact C-N 3.32Å; L234-V236 PolarHBondContact O-N 3.01Å; L234-M237 CarbonylContact O-C 3.56Å; L234-M237 PolarHBondContact O-N 2.9Å; L234-M237 VanDerWaalsContact O-N 3.12Å; L234-S238 WeakPolarHBondContact O-CB 3.38Å; L234-S238 PolarHBondContact O-N 2.99Å; L234-V244 HydrophobicContact CB-CG2 4.01Å; L234-V244 HydrophobicContact CD2-CB 4.33Å; L234-V244 HydrophobicContact CD2-CG2 4.01Å; L234-V244 WeakPolarHBondContact O-CG2 3.33Å; L234-T246 HydrophobicContact CD1-CG2 4.08Å; L234-T246 HydrophobicContact CD2-CG2 4.39Å; L234-T246 HydrophobicContact CG-CG2 4.38Å; L234-E269 HydrophobicContact CD1-CB 3.82Å; L234-E269 WeakPolarHBondContact CD1-O 3.45Å; L234-E271 HydrophobicContact CB-CB 3.76Å; L234-E271 HydrophobicContact CB-CG 4.46Å; L234-E271 HydrophobicContact CD1-CB 4.43Å
235	E	98	Very high	96.9	Very high	4 Å²	4	34 Å²	34	2%	0.019	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-35	174.1	-69.4	-175.7	-119.3	0	0	112.9	Q231 H233 M237 S238 E271 R417 Y440 L443 R444 H451	Q231-E235 PolarHBondContact NE2-OE1 3.39Å; Q231-E235 VanDerWaalsContact NE2-OE1 3.17Å; Q231-E235 PolarHBondContact O-N 3.25Å; H233-E235 VanDerWaalsContact C-N 3.3Å; E235-M237 VanDerWaalsContact C-N 3.33Å; E235-S238 WeakPolarHBondContact CA-OG 3.48Å; E235-S238 PolarHBondContact O-N 2.89Å; E235-S238 PolarHBondContact O-OG 2.9Å; E235-E271 HydrophobicContact CG-CG 3.99Å; E235-R417 HydrophobicContact CG-CG 4.46Å; E235-Y440 HydrophobicContact CB-CE2 4.31Å; E235-Y440 PolarHBondContact OE1-OH 3.29Å; E235-Y440 VanDerWaalsContact OE2-CE2 3.23Å; E235-Y440 WeakPolarHBondContact OE2-CE2 3.3Å; E235-Y440 VanDerWaalsContact OE2-CZ 3.24Å; E235-Y440 PolarHBondContact OE2-OH 2.92Å; E235-L443 HydrophobicContact CB-CD1 4.25Å; E235-R444 IonicContact OE2-CZ 3.67Å; E235-R444 IonicContact OE2-NH1 3.42Å; E235-R444 PolarHBondContact OE2-NH1 3.33Å; E235-R444 IonicContact OE2-NH2 3.24Å; E235-R444 PolarHBondContact OE2-NH2 3.23Å; E235-H451 IonicContact OE2-NE2 2.84Å; E235-H451 PolarHBondContact OE2-NE2 2.63Å
236	V	97.4	Very high	97	Very high	61 Å²	61	32.2 Å²	32.2	37%	0.37	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-46.5	170.8	177.7	0	0	0	0	110.1	L232 H233 L234 S238 G239 W439 L443	L232-V236 WeakPolarHBondContact O-CG2 3.26Å; L232-V236 PolarHBondContact O-N 2.98Å; H233-V236 WeakPolarHBondContact O-CB 3.2Å; H233-V236 PolarHBondContact O-N 3.5Å; L234-V236 VanDerWaalsContact C-N 3.32Å; L234-V236 PolarHBondContact O-N 3.01Å; V236-S238 VanDerWaalsContact C-N 3.32Å; V236-S238 PolarHBondContact O-N 3.37Å; V236-G239 PolarHBondContact O-N 2.72Å; V236-W439 HydrophobicContact CG2-CE3 4.29Å; V236-W439 HydrophobicContact CG2-CZ3 3.64Å; V236-L443 HydrophobicContact CG2-CD1 4.04Å; V236-L443 HydrophobicContact CG2-CD2 4.2Å
237	M	98	Very high	97.1	Very high	60 Å²	60	31.7 Å²	31.7	30%	0.296	19%	0.19	S	C	.	.	H	α-helix	trans	-70.1	-30.1	-178.5	-60	-49	-66.8	0	0	112.4	I187 H233 L234 E235 G239 A240 F241 V244	I187-M237 HydrophobicContact CD1-CB 4.27Å; I187-M237 HydrophobicContact CD1-CE 3.88Å; I187-M237 HydrophobicContact CD1-CG 4.08Å; I187-M237 HydrophobicContact CG1-CB 4.09Å; I187-M237 HydrophobicContact CG1-CG 3.98Å; I187-M237 HydrophobicContact CG2-CG 3.8Å; H233-M237 WeakPolarHBondContact O-CG 3.48Å; H233-M237 PolarHBondContact O-N 3.39Å; L234-M237 CarbonylContact O-C 3.56Å; L234-M237 PolarHBondContact O-N 2.9Å; L234-M237 VanDerWaalsContact O-N 3.12Å; E235-M237 VanDerWaalsContact C-N 3.33Å; M237-G239 PolarHBondContact O-N 3.45Å; M237-A240 PolarHBondContact O-N 3.45Å; M237-F241 HydrophobicContact CE-CD2 3.96Å; M237-F241 HydrophobicContact CE-CE2 3.59Å; M237-F241 WeakPolarHBondContact O-CD2 3.24Å; M237-F241 PolarHBondContact O-N 3.25Å; M237-V244 HydrophobicContact CB-CG1 4.02Å; M237-V244 HydrophobicContact CB-CG2 4.36Å
238	S	95.2	Very high	97.2	Very high	8 Å²	8	32 Å²	32	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-23.4	179.8	79.4	0	0	0	0	112.6	L234 E235 V236 A240 F241 S273	L234-S238 WeakPolarHBondContact O-CB 3.38Å; L234-S238 PolarHBondContact O-N 2.99Å; E235-S238 WeakPolarHBondContact CA-OG 3.48Å; E235-S238 PolarHBondContact O-N 2.89Å; E235-S238 PolarHBondContact O-OG 2.9Å; V236-S238 VanDerWaalsContact C-N 3.32Å; V236-S238 PolarHBondContact O-N 3.37Å; S238-A240 PolarHBondContact O-N 3.42Å; S238-F241 VanDerWaalsContact CA-O 3.26Å; S238-F241 WeakPolarHBondContact CA-O 3.41Å; S238-S273 WeakPolarHBondContact CB-OG 3.4Å; S238-S273 PolarHBondContact O-OG 3.08Å
239	G	92.9	Very high	97.4	Very high	73 Å²	73	33.3 Å²	33.3	75%	0.753	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.4	170.6	0	0	0	0	0	114.5	V236 M237	V236-G239 PolarHBondContact O-N 2.72Å; M237-G239 PolarHBondContact O-N 3.45Å
240	A	95.8	Very high	97.4	Very high	81 Å²	81	33.1 Å²	33.1	67%	0.669	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-28.3	177.4	0	0	0	0	0	113.5	M237 S238	M237-A240 PolarHBondContact O-N 3.45Å; S238-A240 PolarHBondContact O-N 3.42Å
241	F	97.5	Very high	97.4	Very high	87 Å²	87	34.1 Å²	34.1	38%	0.382	21%	0.206	S	C	.	.			trans	-122.5	118.5	-178.5	-59.1	-79.4	0	0	0	109.1	V185 M237 S238 R243 V244	V185-F241 HydrophobicContact CG2-CD1 4Å; V185-F241 HydrophobicContact CG2-CG 4.46Å; M237-F241 HydrophobicContact CE-CD2 3.96Å; M237-F241 HydrophobicContact CE-CE2 3.59Å; M237-F241 WeakPolarHBondContact O-CD2 3.24Å; M237-F241 PolarHBondContact O-N 3.25Å; S238-F241 VanDerWaalsContact CA-O 3.26Å; S238-F241 WeakPolarHBondContact CA-O 3.41Å; F241-R243 PolarHBondContact O-N 3.48Å; F241-V244 HydrophobicContact CB-CG1 3.53Å; F241-V244 HydrophobicContact CD2-CG1 4.43Å; F241-V244 HydrophobicContact CG-CG1 4.29Å
242	S	97.3	Very high	97.2	Very high	68 Å²	68	36.5 Å²	36.5	48%	0.476	21%	0.214	S	C	.	.	S	Bend	trans	-61.1	-17.8	-174.3	58.8	0	0	0	0	115	S273	S242-S273 PolarHBondContact O-N 2.99Å
243	R	98.6	Very high	97	Very high	107 Å²	107	38.2 Å²	38.2	40%	0.404	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	115.5	-178	-67.6	-177.8	-178.5	-165.6	-4.4	110	N182 F184 V185 F241 I272	N182-R243 PolarHBondContact O-NH1 3.14Å; F184-R243 WeakPolarHBondContact CA-O 3.26Å; F184-R243 HydrophobicContact CB-CB 4.38Å; F184-R243 HydrophobicContact CD1-CB 3.67Å; F184-R243 HydrophobicContact CD2-CB 4.14Å; F184-R243 HydrophobicContact CE1-CB 3.89Å; F184-R243 HydrophobicContact CE1-CG 4.31Å; F184-R243 HydrophobicContact CE2-CB 4.36Å; F184-R243 HydrophobicContact CE2-CG 4.43Å; F184-R243 HydrophobicContact CG-CB 3.78Å; F184-R243 HydrophobicContact CZ-CB 4.23Å; F184-R243 HydrophobicContact CZ-CG 4.25Å; V185-R243 PolarHBondContact N-O 3.32Å; F241-R243 PolarHBondContact O-N 3.48Å; R243-I272 HydrophobicContact CG-CG2 4.23Å
244	V	98.8	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.5	178.8	-64.8	0	0	0	0	111.1	V185 I187 L234 M237 F241 A270 E271	V185-V244 HydrophobicContact CB-CG1 4.47Å; V185-V244 WeakPolarHBondContact O-CA 3.2Å; I187-V244 HydrophobicContact CD1-CG1 4.3Å; I187-V244 HydrophobicContact CG1-CB 3.84Å; I187-V244 HydrophobicContact CG1-CG1 3.94Å; L234-V244 HydrophobicContact CB-CG2 4.01Å; L234-V244 HydrophobicContact CD2-CB 4.33Å; L234-V244 HydrophobicContact CD2-CG2 4.01Å; L234-V244 WeakPolarHBondContact O-CG2 3.33Å; M237-V244 HydrophobicContact CB-CG1 4.02Å; M237-V244 HydrophobicContact CB-CG2 4.36Å; F241-V244 HydrophobicContact CB-CG1 3.53Å; F241-V244 HydrophobicContact CD2-CG1 4.43Å; F241-V244 HydrophobicContact CG-CG1 4.29Å; V244-A270 WeakPolarHBondContact O-CA 3.33Å; V244-E271 HydrophobicContact CG2-CB 3.77Å; V244-E271 PolarHBondContact N-O 3.47Å; V244-E271 PolarHBondContact O-N 3.33Å
245	Y	98.9	Very high	96.1	Very high	6 Å²	6	44.6 Å²	44.6	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.6	172.7	81.9	-69.7	0	0	0	111.6	H176 F179 F184 V185 Q186 I187 E269	H176-Y245 AromaticContact ND1-CE2 3.64Å; H176-Y245 AromaticContact ND1-CZ 3.7Å; H176-Y245 PolarHBondContact ND1-OH 3.1Å; F179-Y245 HydrophobicContact CB-CD1 3.66Å; F179-Y245 HydrophobicContact CB-CD2 4.04Å; F179-Y245 HydrophobicContact CB-CE1 3.5Å; F179-Y245 VanDerWaalsContact CB-CE1 3.5Å; F179-Y245 HydrophobicContact CB-CE2 3.9Å; F179-Y245 HydrophobicContact CB-CG 3.91Å; F179-Y245 HydrophobicContact CD1-CD1 4.26Å; F179-Y245 HydrophobicContact CD1-CD2 4.35Å; F179-Y245 AromaticContact CD1-CG 3.94Å; F179-Y245 HydrophobicContact CD1-CG 3.94Å; F179-Y245 HydrophobicContact CD2-CD1 4.46Å; F179-Y245 AromaticContact CD2-CD2 3.39Å; F179-Y245 HydrophobicContact CD2-CD2 3.39Å; F179-Y245 AromaticContact CD2-CE2 3.65Å; F179-Y245 HydrophobicContact CD2-CE2 3.65Å; F179-Y245 AromaticContact CD2-CG 3.84Å; F179-Y245 HydrophobicContact CD2-CG 3.84Å; F179-Y245 HydrophobicContact CE1-CG 4.42Å; F179-Y245 AromaticContact CE2-CD2 3.88Å; F179-Y245 HydrophobicContact CE2-CD2 3.88Å; F179-Y245 HydrophobicContact CE2-CE2 4.47Å; F179-Y245 HydrophobicContact CE2-CG 4.33Å; F179-Y245 AromaticContact CG-CD1 3.89Å; F179-Y245 HydrophobicContact CG-CD1 3.89Å; F179-Y245 AromaticContact CG-CD2 3.67Å; F179-Y245 HydrophobicContact CG-CD2 3.67Å; F179-Y245 HydrophobicContact CG-CE1 4.16Å; F179-Y245 AromaticContact CG-CE2 3.97Å; F179-Y245 HydrophobicContact CG-CE2 3.97Å; F179-Y245 AromaticContact CG-CG 3.62Å; F179-Y245 HydrophobicContact CG-CG 3.62Å; F184-Y245 HydrophobicContact CB-CD1 3.73Å; F184-Y245 HydrophobicContact CB-CE1 4.29Å; V185-Y245 PolarHBondContact O-N 3.08Å; Q186-Y245 CarbonylContact C-O 3.56Å; Q186-Y245 VanDerWaalsContact CA-CE1 3.46Å; Q186-Y245 WeakPolarHBondContact CA-O 3.39Å; Q186-Y245 HydrophobicContact CB-CD1 4.22Å; Q186-Y245 HydrophobicContact CB-CE1 3.49Å; Q186-Y245 VanDerWaalsContact CB-CE1 3.49Å; Q186-Y245 HydrophobicContact CG-CE1 4.04Å; Q186-Y245 HydrophobicContact CG-CE2 4.26Å; I187-Y245 PolarHBondContact N-O 3.44Å; Y245-E269 CarbonylContact C-O 3.59Å; Y245-E269 WeakPolarHBondContact CA-O 3.45Å; Y245-E269 VanDerWaalsContact CB-O 3.3Å; Y245-E269 WeakPolarHBondContact CB-O 3.26Å
246	T	98.8	Very high	95.6	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.1	165.7	-172.3	0	0	0	0	109.9	I187 T189 L234 V268 E269	I187-T246 VanDerWaalsContact O-CB 3.26Å; I187-T246 WeakPolarHBondContact O-CB 3.5Å; I187-T246 PolarHBondContact O-OG1 2.97Å; I187-T246 VanDerWaalsContact O-OG1 3.12Å; T189-T246 HydrophobicContact CG2-CG2 4.1Å; T189-T246 PolarHBondContact OG1-OG1 3.35Å; L234-T246 HydrophobicContact CD1-CG2 4.08Å; L234-T246 HydrophobicContact CD2-CG2 4.39Å; L234-T246 HydrophobicContact CG-CG2 4.38Å; T246-V268 WeakPolarHBondContact O-CA 3.47Å; T246-E269 HydrophobicContact CG2-CB 3.85Å; T246-E269 HydrophobicContact CG2-CG 4.28Å; T246-E269 WeakPolarHBondContact CG2-OE2 3.4Å; T246-E269 PolarHBondContact N-O 3.49Å; T246-E269 PolarHBondContact O-N 2.71Å
247	F	98.8	Very high	95.1	Very high	27 Å²	27	48.4 Å²	48.4	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	101.9	169.2	-170	123.2	0	0	0	105.5	T172 I175 F266 M267 V268 F458	T172-F247 HydrophobicContact CG2-CE1 4.37Å; T172-F247 HydrophobicContact CG2-CE2 4.42Å; T172-F247 HydrophobicContact CG2-CZ 4.15Å; I175-F247 HydrophobicContact CB-CE1 4.3Å; I175-F247 HydrophobicContact CD1-CE1 4.04Å; I175-F247 HydrophobicContact CG2-CD1 3.9Å; I175-F247 HydrophobicContact CG2-CE1 4.06Å; F247-F266 HydrophobicContact CD2-CD1 4.15Å; F247-F266 HydrophobicContact CE2-CB 4.16Å; F247-F266 AromaticContact CE2-CD1 3.8Å; F247-F266 HydrophobicContact CE2-CD1 3.8Å; F247-F266 HydrophobicContact CE2-CG 4.33Å; F247-M267 WeakPolarHBondContact CA-O 3.41Å; F247-V268 HydrophobicContact CD1-CB 4.44Å; F247-V268 HydrophobicContact CD1-CG1 4.42Å; F247-V268 HydrophobicContact CD1-CG2 3.41Å; F247-V268 VanDerWaalsContact CD1-CG2 3.41Å; F247-V268 HydrophobicContact CE1-CG2 3.4Å; F247-V268 VanDerWaalsContact CE1-CG2 3.4Å; F247-V268 HydrophobicContact CG-CG2 4.15Å; F247-V268 HydrophobicContact CZ-CG2 4.14Å; F247-F458 HydrophobicContact CE1-CD2 4.19Å; F247-F458 HydrophobicContact CE1-CE2 4.33Å; F247-F458 HydrophobicContact CE1-CG 4.35Å; F247-F458 HydrophobicContact CE2-CD1 4.22Å; F247-F458 HydrophobicContact CE2-CE1 4.47Å; F247-F458 HydrophobicContact CZ-CB 4.33Å; F247-F458 AromaticContact CZ-CD1 3.61Å; F247-F458 HydrophobicContact CZ-CD1 3.61Å; F247-F458 AromaticContact CZ-CD2 3.91Å; F247-F458 HydrophobicContact CZ-CD2 3.91Å; F247-F458 AromaticContact CZ-CE1 3.74Å; F247-F458 HydrophobicContact CZ-CE1 3.74Å; F247-F458 HydrophobicContact CZ-CE2 4.06Å; F247-F458 AromaticContact CZ-CG 3.69Å; F247-F458 HydrophobicContact CZ-CG 3.69Å; F247-F458 AromaticContact CZ-CZ 3.97Å; F247-F458 HydrophobicContact CZ-CZ 3.97Å
248	G	98.1	Very high	94.7	Very high	13 Å²	13	47.5 Å²	47.5	13%	0.134	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	168	-169.7	0	0	0	0	0	113.3	F266 M267	G248-F266 WeakPolarHBondContact O-CA 3.32Å; G248-M267 PolarHBondContact N-O 2.98Å; G248-M267 VanDerWaalsContact N-O 3.1Å; G248-M267 PolarHBondContact O-N 3.23Å
249	P	98	Very high	94.4	Very high	31 Å²	31	54.7 Å²	54.7	20%	0.201	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	141.5	174.5	32.2	-34.1	0	0	0	110.9	I191 F251 F265 F266	I191-P249 HydrophobicContact CD1-CG 3.67Å; I191-P249 HydrophobicContact CG1-CG 4.19Å; P249-F251 HydrophobicContact CB-CE2 4.12Å; P249-F251 HydrophobicContact CB-CZ 4.09Å; P249-F251 HydrophobicContact CG-CE2 4.4Å; P249-F251 HydrophobicContact CG-CZ 4.48Å; P249-F265 CarbonylContact C-O 3.49Å; P249-F265 VanDerWaalsContact CA-O 3.28Å; P249-F265 WeakPolarHBondContact CA-O 3.48Å; P249-F266 HydrophobicContact CB-CE1 4.43Å; P249-F266 HydrophobicContact CB-CZ 4.41Å
250	T	96.8	Very high	94.2	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.3	171.9	53.4	0	0	0	0	109.4	T227 V228 F265 M267	T227-T250 WeakPolarHBondContact O-CA 3.41Å; V228-T250 WeakPolarHBondContact O-CB 3.38Å; V228-T250 WeakPolarHBondContact O-CG2 3.26Å; T250-F265 PolarHBondContact N-O 3.2Å; T250-F265 PolarHBondContact O-N 3.43Å; T250-F265 VanDerWaalsContact OG1-CD2 3.29Å; T250-F265 WeakPolarHBondContact OG1-CD2 3.34Å; T250-F265 WeakPolarHBondContact OG1-CE2 3.44Å; T250-F265 WeakPolarHBondContact OG1-CZ 3.48Å; T250-M267 HydrophobicContact CG2-CB 3.77Å; T250-M267 HydrophobicContact CG2-CG 3.74Å; T250-M267 WeakPolarHBondContact OG1-CG 3.41Å
251	F	96.6	Very high	94	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.096	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.6	-168.6	-54.5	-97.4	0	0	0	110.2	I191 F204 L226 T227 V228 P249 A263 E264	I191-F251 HydrophobicContact CG2-CE2 3.66Å; I191-F251 HydrophobicContact CG2-CZ 4.28Å; F204-F251 HydrophobicContact CD2-CB 3.96Å; F204-F251 HydrophobicContact CE2-CB 4.44Å; L226-F251 HydrophobicContact CB-CB 3.84Å; L226-F251 HydrophobicContact CB-CD1 4.35Å; L226-F251 HydrophobicContact CB-CD2 3.59Å; L226-F251 HydrophobicContact CB-CE2 4.24Å; L226-F251 HydrophobicContact CB-CG 3.66Å; L226-F251 HydrophobicContact CD1-CB 4.4Å; L226-F251 HydrophobicContact CD1-CD1 3.62Å; L226-F251 HydrophobicContact CD1-CD2 4.24Å; L226-F251 HydrophobicContact CD1-CE1 3.84Å; L226-F251 HydrophobicContact CD1-CE2 4.46Å; L226-F251 HydrophobicContact CD1-CG 3.82Å; L226-F251 HydrophobicContact CD1-CZ 4.26Å; L226-F251 HydrophobicContact CD2-CE2 4.47Å; L226-F251 HydrophobicContact CG-CD2 4.37Å; L226-F251 HydrophobicContact CG-CG 4.33Å; T227-F251 PolarHBondContact O-N 3.22Å; V228-F251 VanDerWaalsContact CG1-O 3.25Å; V228-F251 WeakPolarHBondContact CG1-O 3.23Å; P249-F251 HydrophobicContact CB-CE2 4.12Å; P249-F251 HydrophobicContact CB-CZ 4.09Å; P249-F251 HydrophobicContact CG-CE2 4.4Å; P249-F251 HydrophobicContact CG-CZ 4.48Å; F251-A263 VanDerWaalsContact CA-O 3.23Å; F251-A263 WeakPolarHBondContact CA-O 3.43Å; F251-E264 HydrophobicContact CD1-CB 3.99Å; F251-E264 HydrophobicContact CD1-CG 4.04Å; F251-E264 HydrophobicContact CE1-CB 4.01Å; F251-E264 HydrophobicContact CE1-CG 3.58Å; F251-E264 HydrophobicContact CZ-CG 4.26Å
252	R	94.1	Very high	93.9	Very high	63 Å²	63	50 Å²	50	24%	0.238	25%	0.247	C	C	.	.			trans	-134.5	124.6	172.5	-69.7	-175.7	-179.6	168.8	2.1	109.1	E198 F204 V228 E254 A263 F265	E198-R252 VanDerWaalsContact CD-NH2 3.35Å; E198-R252 IonicContact OE1-CZ 2.75Å; E198-R252 IonicContact OE1-NE 2.96Å; E198-R252 IonicContact OE1-NH2 3.31Å; E198-R252 PolarHBondContact OE1-NH2 3.05Å; E198-R252 IonicContact OE2-CZ 3.74Å; E198-R252 IonicContact OE2-NE 3.2Å; E198-R252 PolarHBondContact OE2-NE 2.84Å; E198-R252 IonicContact OE2-NH2 2.81Å; E198-R252 PolarHBondContact OE2-NH2 3.05Å; E198-R252 VanDerWaalsContact OE2-NH2 3.13Å; F204-R252 WeakPolarHBondContact CE2-O 3.24Å; V228-R252 HydrophobicContact CG1-CG 4.44Å; R252-E254 PolarHBondContact O-N 3Å; R252-E254 VanDerWaalsContact O-N 3.17Å; R252-A263 PolarHBondContact N-O 2.91Å; R252-A263 VanDerWaalsContact N-O 3.1Å; R252-A263 WeakPolarHBondContact O-CA 3.37Å; R252-F265 HydrophobicContact CB-CE1 4.14Å; R252-F265 HydrophobicContact CG-CE1 3.82Å; R252-F265 HydrophobicContact CG-CZ 3.93Å
253	A	92.4	Very high	93.8	Very high	37 Å²	37	47.4 Å²	47.4	31%	0.306	23%	0.23	S	C	.	.			trans	-84.9	30.7	-179.1	0	0	0	0	0	112.9	E202 F204 N255	E202-A253 WeakPolarHBondContact O-CB 3.34Å; E202-A253 PolarHBondContact O-N 2.75Å; F204-A253 HydrophobicContact CD1-CB 4.27Å; F204-A253 HydrophobicContact CD2-CB 3.95Å; F204-A253 HydrophobicContact CE1-CB 4.13Å; F204-A253 HydrophobicContact CE2-CB 3.82Å; F204-A253 HydrophobicContact CG-CB 4.18Å; F204-A253 HydrophobicContact CZ-CB 3.9Å; A253-N255 PolarHBondContact O-N 3.05Å
254	E	87.5	Confident	93.8	Very high	58 Å²	58	45.3 Å²	45.3	27%	0.271	22%	0.224	S	C	.	.			trans	-63.1	126.8	176.1	-167.6	-167.2	156.7	0	0	110	E202 R252 S256 H261	E202-E254 WeakPolarHBondContact OE1-CG 3.36Å; E202-E254 WeakPolarHBondContact OE2-CB 3.36Å; R252-E254 PolarHBondContact O-N 3Å; R252-E254 VanDerWaalsContact O-N 3.17Å; E254-S256 VanDerWaalsContact CD-CB 3.46Å; E254-S256 PolarHBondContact O-N 3.42Å; E254-S256 WeakPolarHBondContact OE1-CB 3.3Å; E254-S256 PolarHBondContact OE1-OG 3.38Å; E254-H261 VanDerWaalsContact CD-ND1 3.31Å; E254-H261 IonicContact OE1-CE1 3.24Å; E254-H261 PolarHBondContact OE1-CE1 2.85Å; E254-H261 VanDerWaalsContact OE1-CE1 3.24Å; E254-H261 IonicContact OE1-CG 3.41Å; E254-H261 IonicContact OE1-ND1 2.98Å; E254-H261 PolarHBondContact OE1-ND1 3.33Å; E254-H261 IonicContact OE2-CD2 2.91Å; E254-H261 IonicContact OE2-CE1 3.47Å; E254-H261 PolarHBondContact OE2-CE1 3.18Å; E254-H261 IonicContact OE2-CG 3.69Å; E254-H261 IonicContact OE2-ND1 3.16Å; E254-H261 PolarHBondContact OE2-ND1 2.78Å; E254-H261 IonicContact OE2-NE2 2.84Å
255	N	88.3	Confident	93.7	Very high	125 Å²	125	46.4 Å²	46.4	67%	0.668	23%	0.229	S	C	*	.			trans	-79.1	63.9	175.5	-171	15.8	0	0	0	111.6	A253 S481 H482	A253-N255 PolarHBondContact O-N 3.05Å; N255-S481 WeakPolarHBondContact OD1-CB 3.11Å; N255-S481 PolarHBondContact OD1-OG 3.37Å; N255-H482 PolarHBondContact OD1-NE2 3.07Å
256	S	87.1	Confident	93.7	Very high	24 Å²	24	48.8 Å²	48.8	17%	0.168	24%	0.24	C	C	.	.			trans	-127.3	134	-175.8	-173.1	0	0	0	0	112.4	E254 S258 H261	E254-S256 VanDerWaalsContact CD-CB 3.46Å; E254-S256 PolarHBondContact O-N 3.42Å; E254-S256 WeakPolarHBondContact OE1-CB 3.3Å; E254-S256 PolarHBondContact OE1-OG 3.38Å; S256-S258 PolarHBondContact OG-N 3.17Å; S256-H261 PolarHBondContact OG-ND1 2.91Å; S256-H261 VanDerWaalsContact OG-ND1 3.13Å
257	Q	87.6	Confident	93.7	Very high	122 Å²	122	49.4 Å²	49.4	57%	0.57	24%	0.243	S	C	*	.			trans	-104.9	14.8	173.9	-63.7	-170.1	34.7	0	0	112.5	K472 H482	Q257-K472 PolarHBondContact O-NZ 2.62Å; Q257-H482 PolarHBondContact NE2-CD2 3.44Å
258	S	89.8	Confident	93.7	Very high	41 Å²	41	48.2 Å²	48.2	29%	0.287	24%	0.237	S	C	.	.			trans	-57.7	167.2	-176.3	88.2	0	0	0	0	113	S256 R260 H261 K472	S256-S258 PolarHBondContact OG-N 3.17Å; S258-R260 PolarHBondContact O-N 3.16Å; S258-R260 PolarHBondContact OG-N 2.94Å; S258-R260 VanDerWaalsContact OG-N 3.1Å; S258-H261 PolarHBondContact OG-N 3.02Å; S258-H261 VanDerWaalsContact OG-N 3.16Å; S258-H261 PolarHBondContact OG-ND1 3.37Å; S258-K472 PolarHBondContact O-NZ 3.33Å
259	R	89.3	Confident	93.7	Very high	159 Å²	159	48 Å²	48	60%	0.6	23%	0.233	S	C	*	.	S	Bend	trans	-76	-0.5	174.4	-63.1	-176.4	-176.9	-177.8	1.5	113.2	N470 I471	R259-N470 HydrophobicContact CB-CB 4.42Å; R259-I471 WeakPolarHBondContact O-CB 3.46Å; R259-I471 WeakPolarHBondContact O-CG2 3.49Å; R259-I471 PolarHBondContact O-N 3.02Å
260	R	87.8	Confident	93.7	Very high	81 Å²	81	46.5 Å²	46.5	31%	0.306	22%	0.223	S	C	.	.	S	Bend	trans	-119.5	-12.1	-172.4	-59.7	-173.3	-172.5	127.1	8	114.1	S258 T358 K362 I471	S258-R260 PolarHBondContact O-N 3.16Å; S258-R260 PolarHBondContact OG-N 2.94Å; S258-R260 VanDerWaalsContact OG-N 3.1Å; R260-T358 PolarHBondContact NH1-OG1 3.39Å; R260-K362 VanDerWaalsContact NH2-CE 3.33Å; R260-I471 VanDerWaalsContact O-CD1 3.32Å; R260-I471 WeakPolarHBondContact O-CD1 3.22Å
261	H	91.6	Very high	93.8	Very high	50 Å²	50	46.5 Å²	46.5	23%	0.231	22%	0.223	C	C	.	.			trans	-111.1	141.9	-175.6	-57.3	150.5	0	0	0	112.1	E254 S256 S258	E254-H261 VanDerWaalsContact CD-ND1 3.31Å; E254-H261 IonicContact OE1-CE1 3.24Å; E254-H261 PolarHBondContact OE1-CE1 2.85Å; E254-H261 VanDerWaalsContact OE1-CE1 3.24Å; E254-H261 IonicContact OE1-CG 3.41Å; E254-H261 IonicContact OE1-ND1 2.98Å; E254-H261 PolarHBondContact OE1-ND1 3.33Å; E254-H261 IonicContact OE2-CD2 2.91Å; E254-H261 IonicContact OE2-CE1 3.47Å; E254-H261 PolarHBondContact OE2-CE1 3.18Å; E254-H261 IonicContact OE2-CG 3.69Å; E254-H261 IonicContact OE2-ND1 3.16Å; E254-H261 PolarHBondContact OE2-ND1 2.78Å; E254-H261 IonicContact OE2-NE2 2.84Å; S256-H261 PolarHBondContact OG-ND1 2.91Å; S256-H261 VanDerWaalsContact OG-ND1 3.13Å; S258-H261 PolarHBondContact OG-N 3.02Å; S258-H261 VanDerWaalsContact OG-N 3.16Å; S258-H261 PolarHBondContact OG-ND1 3.37Å
262	L	95.6	Very high	93.9	Very high	12 Å²	12	46 Å²	46	6%	0.063	22%	0.221	C	C	.	.			trans	-130	147.5	170.4	-68.2	173.6	0	0	0	107.4	E264 F265 E459 I471 K472 I475 P478 R479	L262-E264 WeakPolarHBondContact CB-O 3.21Å; L262-F265 HydrophobicContact CB-CB 4.17Å; L262-F265 HydrophobicContact CB-CD1 4.37Å; L262-F265 HydrophobicContact CD1-CB 4.11Å; L262-E459 HydrophobicContact CD1-CB 4.29Å; L262-E459 HydrophobicContact CD1-CG 3.82Å; L262-I471 HydrophobicContact CD1-CD1 4.19Å; L262-I471 HydrophobicContact CD1-CG1 3.95Å; L262-I471 HydrophobicContact CD1-CG2 4.34Å; L262-I471 HydrophobicContact CD2-CG2 4.02Å; L262-I471 HydrophobicContact CG-CD1 4.33Å; L262-I471 HydrophobicContact CG-CG1 4.25Å; L262-I471 HydrophobicContact CG-CG2 3.76Å; L262-K472 HydrophobicContact CD2-CG 4.03Å; L262-I475 HydrophobicContact CD1-CD1 4.36Å; L262-I475 HydrophobicContact CD1-CG2 4.04Å; L262-I475 HydrophobicContact CD2-CG2 4.47Å; L262-P478 HydrophobicContact CD2-CB 3.81Å; L262-R479 CarbonylContact C-O 3.41Å; L262-R479 WeakPolarHBondContact CA-O 3.07Å; L262-R479 WeakPolarHBondContact CD2-O 3.44Å
263	A	96.2	Very high	94.1	Very high	13 Å²	13	43.4 Å²	43.4	11%	0.107	21%	0.213	C	C	.	.	S	Bend	trans	-81.4	-23.5	173.1	0	0	0	0	0	112.4	F204 F251 R252 R479	F204-A263 HydrophobicContact CE2-CB 4.09Å; F204-A263 HydrophobicContact CZ-CB 3.98Å; F251-A263 VanDerWaalsContact CA-O 3.23Å; F251-A263 WeakPolarHBondContact CA-O 3.43Å; R252-A263 PolarHBondContact N-O 2.91Å; R252-A263 VanDerWaalsContact N-O 3.1Å; R252-A263 WeakPolarHBondContact O-CA 3.37Å; A263-R479 HydrophobicContact CB-CB 4.24Å; A263-R479 PolarHBondContact N-O 2.79Å
264	E	97.4	Very high	94.3	Very high	63 Å²	63	48.7 Å²	48.7	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	122.6	175.1	177.9	-171.3	140.9	0	0	107.6	F251 L262 R479	F251-E264 HydrophobicContact CD1-CB 3.99Å; F251-E264 HydrophobicContact CD1-CG 4.04Å; F251-E264 HydrophobicContact CE1-CB 4.01Å; F251-E264 HydrophobicContact CE1-CG 3.58Å; F251-E264 HydrophobicContact CZ-CG 4.26Å; L262-E264 WeakPolarHBondContact CB-O 3.21Å; E264-R479 HydrophobicContact CB-CB 3.84Å; E264-R479 HydrophobicContact CB-CG 3.9Å
265	F	97.4	Very high	94.7	Very high	22 Å²	22	46.2 Å²	46.2	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	170.9	-178.3	57	-84.5	0	0	0	110.1	P249 T250 R252 L262 M267 E459	P249-F265 CarbonylContact C-O 3.49Å; P249-F265 VanDerWaalsContact CA-O 3.28Å; P249-F265 WeakPolarHBondContact CA-O 3.48Å; T250-F265 PolarHBondContact N-O 3.2Å; T250-F265 PolarHBondContact O-N 3.43Å; T250-F265 VanDerWaalsContact OG1-CD2 3.29Å; T250-F265 WeakPolarHBondContact OG1-CD2 3.34Å; T250-F265 WeakPolarHBondContact OG1-CE2 3.44Å; T250-F265 WeakPolarHBondContact OG1-CZ 3.48Å; R252-F265 HydrophobicContact CB-CE1 4.14Å; R252-F265 HydrophobicContact CG-CE1 3.82Å; R252-F265 HydrophobicContact CG-CZ 3.93Å; L262-F265 HydrophobicContact CB-CB 4.17Å; L262-F265 HydrophobicContact CB-CD1 4.37Å; L262-F265 HydrophobicContact CD1-CB 4.11Å; F265-M267 HydrophobicContact CD2-CG 3.89Å; F265-M267 HydrophobicContact CD2-SD 4.23Å; F265-M267 HydrophobicContact CE2-CG 3.54Å; F265-M267 HydrophobicContact CE2-SD 3.77Å; F265-E459 WeakPolarHBondContact CB-OE2 3.12Å
266	F	98.6	Very high	94.9	Very high	56 Å²	56	46.9 Å²	46.9	25%	0.246	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131	-179.8	-77.2	-103.6	0	0	0	110.3	R168 F247 G248 P249 F458 E459	R168-F266 VanDerWaalsContact NH2-CD2 3.32Å; F247-F266 HydrophobicContact CD2-CD1 4.15Å; F247-F266 HydrophobicContact CE2-CB 4.16Å; F247-F266 AromaticContact CE2-CD1 3.8Å; F247-F266 HydrophobicContact CE2-CD1 3.8Å; F247-F266 HydrophobicContact CE2-CG 4.33Å; G248-F266 WeakPolarHBondContact O-CA 3.32Å; P249-F266 HydrophobicContact CB-CE1 4.43Å; P249-F266 HydrophobicContact CB-CZ 4.41Å; F266-F458 HydrophobicContact CB-CB 3.98Å; F266-F458 HydrophobicContact CB-CD1 4.15Å; F266-F458 VanDerWaalsContact O-CB 3.23Å; F266-F458 WeakPolarHBondContact O-CB 3.29Å; F266-F458 PolarHBondContact O-N 3.23Å; F266-E459 PolarHBondContact N-OE2 2.87Å
267	M	98.2	Very high	95.4	Very high	17 Å²	17	47.6 Å²	47.6	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141	175.6	-74.8	-73.3	-77.6	0	0	110.4	F247 G248 T250 F265 E269	F247-M267 WeakPolarHBondContact CA-O 3.41Å; G248-M267 PolarHBondContact N-O 2.98Å; G248-M267 VanDerWaalsContact N-O 3.1Å; G248-M267 PolarHBondContact O-N 3.23Å; T250-M267 HydrophobicContact CG2-CB 3.77Å; T250-M267 HydrophobicContact CG2-CG 3.74Å; T250-M267 WeakPolarHBondContact OG1-CG 3.41Å; F265-M267 HydrophobicContact CD2-CG 3.89Å; F265-M267 HydrophobicContact CD2-SD 4.23Å; F265-M267 HydrophobicContact CE2-CG 3.54Å; F265-M267 HydrophobicContact CE2-SD 3.77Å; M267-E269 HydrophobicContact CB-CG 3.9Å; M267-E269 HydrophobicContact CE-CG 4.34Å
268	V	98.8	Very high	95.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.2	168.5	-175.6	0	0	0	0	106.7	I175 F179 T246 F247 G455 L456 F458	I175-V268 HydrophobicContact CD1-CG2 4.26Å; I175-V268 HydrophobicContact CG2-CG1 3.7Å; I175-V268 HydrophobicContact CG2-CG2 4.2Å; F179-V268 HydrophobicContact CD2-CG1 4.49Å; F179-V268 HydrophobicContact CE2-CG1 3.47Å; F179-V268 VanDerWaalsContact CE2-CG1 3.47Å; F179-V268 HydrophobicContact CZ-CG1 4.01Å; T246-V268 WeakPolarHBondContact O-CA 3.47Å; F247-V268 HydrophobicContact CD1-CB 4.44Å; F247-V268 HydrophobicContact CD1-CG1 4.42Å; F247-V268 HydrophobicContact CD1-CG2 3.41Å; F247-V268 VanDerWaalsContact CD1-CG2 3.41Å; F247-V268 HydrophobicContact CE1-CG2 3.4Å; F247-V268 VanDerWaalsContact CE1-CG2 3.4Å; F247-V268 HydrophobicContact CG-CG2 4.15Å; F247-V268 HydrophobicContact CZ-CG2 4.14Å; V268-G455 CarbonylContact O-C 3.53Å; V268-L456 HydrophobicContact CB-CB 4.31Å; V268-L456 HydrophobicContact CB-CD2 4.43Å; V268-L456 HydrophobicContact CG2-CD2 4.39Å; V268-L456 PolarHBondContact N-O 2.82Å; V268-L456 PolarHBondContact O-N 3.45Å; V268-F458 HydrophobicContact CG2-CB 4.42Å
269	E	98.8	Very high	96.2	Very high	9 Å²	9	48 Å²	48	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136	-173.8	-51.3	171.3	103.5	0	0	109	S229 G230 L234 Y245 T246 M267 F454	S229-E269 WeakPolarHBondContact CA-OE1 3.42Å; S229-E269 VanDerWaalsContact CB-OE1 3.29Å; S229-E269 WeakPolarHBondContact CB-OE1 3.27Å; S229-E269 PolarHBondContact OG-OE1 3.46Å; G230-E269 WeakPolarHBondContact CA-OE2 3.43Å; G230-E269 PolarHBondContact N-OE1 3.12Å; G230-E269 PolarHBondContact N-OE2 3.3Å; L234-E269 HydrophobicContact CD1-CB 3.82Å; L234-E269 WeakPolarHBondContact CD1-O 3.45Å; Y245-E269 CarbonylContact C-O 3.59Å; Y245-E269 WeakPolarHBondContact CA-O 3.45Å; Y245-E269 VanDerWaalsContact CB-O 3.3Å; Y245-E269 WeakPolarHBondContact CB-O 3.26Å; T246-E269 HydrophobicContact CG2-CB 3.85Å; T246-E269 HydrophobicContact CG2-CG 4.28Å; T246-E269 WeakPolarHBondContact CG2-OE2 3.4Å; T246-E269 PolarHBondContact N-O 3.49Å; T246-E269 PolarHBondContact O-N 2.71Å; M267-E269 HydrophobicContact CB-CG 3.9Å; M267-E269 HydrophobicContact CE-CG 4.34Å; E269-F454 CarbonylContact C-O 3.58Å; E269-F454 VanDerWaalsContact CA-O 3.23Å; E269-F454 WeakPolarHBondContact CA-O 3.24Å
270	A	98.7	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.9	-179.8	0	0	0	0	0	110.6	F179 F184 V244 G453 F454	F179-A270 HydrophobicContact CE1-CB 3.71Å; F179-A270 HydrophobicContact CZ-CB 3.98Å; F184-A270 HydrophobicContact CE1-CB 4.1Å; V244-A270 WeakPolarHBondContact O-CA 3.33Å; A270-G453 CarbonylContact O-C 3.54Å; A270-G453 WeakPolarHBondContact O-CA 3.45Å; A270-F454 HydrophobicContact CB-CD1 4.37Å; A270-F454 HydrophobicContact CB-CE1 3.81Å; A270-F454 HydrophobicContact CB-CE2 4.42Å; A270-F454 HydrophobicContact CB-CZ 3.84Å; A270-F454 PolarHBondContact N-O 3.4Å; A270-F454 PolarHBondContact O-N 3.08Å
271	E	98.8	Very high	96.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.2	177.5	-158.5	68.8	-149.1	0	0	109.3	L234 E235 V244 R417 H451	L234-E271 HydrophobicContact CB-CB 3.76Å; L234-E271 HydrophobicContact CB-CG 4.46Å; L234-E271 HydrophobicContact CD1-CB 4.43Å; E235-E271 HydrophobicContact CG-CG 3.99Å; V244-E271 HydrophobicContact CG2-CB 3.77Å; V244-E271 PolarHBondContact N-O 3.47Å; V244-E271 PolarHBondContact O-N 3.33Å; E271-R417 WeakPolarHBondContact OE1-CG 3.38Å; E271-R417 IonicContact OE1-CZ 2.8Å; E271-R417 IonicContact OE1-NE 2.69Å; E271-R417 PolarHBondContact OE1-NE 3.03Å; E271-R417 IonicContact OE1-NH2 2.68Å; E271-R417 IonicContact OE2-CZ 2.67Å; E271-R417 IonicContact OE2-NE 3.14Å; E271-R417 PolarHBondContact OE2-NE 2.84Å; E271-R417 IonicContact OE2-NH2 3.15Å; E271-R417 PolarHBondContact OE2-NH2 3.38Å; E271-H451 IonicContact OE1-CD2 3.94Å; E271-H451 PolarHBondContact OE1-CD2 3.04Å
272	I	98.5	Very high	97.3	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.062	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	116.5	-169.7	-51	171.4	0	0	0	109	F184 R243 T275 L281 V284 H451 G452	F184-I272 HydrophobicContact CE1-CD1 4.25Å; F184-I272 HydrophobicContact CE1-CG1 3.83Å; F184-I272 HydrophobicContact CZ-CD1 3.97Å; F184-I272 HydrophobicContact CZ-CG1 4Å; R243-I272 HydrophobicContact CG-CG2 4.23Å; I272-T275 WeakPolarHBondContact CB-OG1 3.45Å; I272-T275 WeakPolarHBondContact CG2-OG1 3.46Å; I272-T275 PolarHBondContact O-OG1 3.3Å; I272-L281 HydrophobicContact CD1-CD2 4.21Å; I272-V284 HydrophobicContact CD1-CB 4.18Å; I272-V284 HydrophobicContact CD1-CG1 4.14Å; I272-V284 HydrophobicContact CD1-CG2 3.78Å; I272-H451 VanDerWaalsContact O-CA 3.29Å; I272-H451 WeakPolarHBondContact O-CA 3.21Å; I272-H451 VanDerWaalsContact O-CB 3.31Å; I272-H451 WeakPolarHBondContact O-CB 3.48Å; I272-G452 PolarHBondContact N-O 2.91Å; I272-G452 PolarHBondContact O-N 2.78Å; I272-G452 VanDerWaalsContact O-N 3.09Å
273	S	98	Very high	97.4	Very high	8 Å²	8	44.3 Å²	44.3	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	154.9	175.6	-49.5	0	0	0	0	111.6	S238 S242 T275	S238-S273 WeakPolarHBondContact CB-OG 3.4Å; S238-S273 PolarHBondContact O-OG 3.08Å; S242-S273 PolarHBondContact O-N 2.99Å; S273-T275 VanDerWaalsContact C-N 3.29Å
274	F	96.9	Very high	97.5	Very high	149 Å²	149	44.7 Å²	44.7	65%	0.654	22%	0.215	S	C	*	.	S	Bend	trans	61.3	37.4	-174.9	-48.6	-80.4	0	0	0	112.9	V449 P450	F274-V449 HydrophobicContact CD1-CB 4.16Å; F274-V449 HydrophobicContact CD1-CG1 4.07Å; F274-V449 HydrophobicContact CE1-CB 4.08Å; F274-V449 HydrophobicContact CE1-CG1 3.49Å; F274-V449 VanDerWaalsContact CE1-CG1 3.49Å; F274-V449 HydrophobicContact CZ-CG1 3.94Å; F274-P450 CarbonylContact C-O 3.57Å; F274-P450 WeakPolarHBondContact CA-O 3.11Å; F274-P450 PolarHBondContact N-O 3.35Å
275	T	96.1	Very high	97.5	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.031	20%	0.201	C	C	.	.			trans	-104.8	113.4	177.5	-53.2	0	0	0	0	108.7	I272 S273 D280 L281 L416 P450 H451	I272-T275 WeakPolarHBondContact CB-OG1 3.45Å; I272-T275 WeakPolarHBondContact CG2-OG1 3.46Å; I272-T275 PolarHBondContact O-OG1 3.3Å; S273-T275 VanDerWaalsContact C-N 3.29Å; T275-D280 HydrophobicContact CG2-CB 3.65Å; T275-L281 HydrophobicContact CG2-CD2 4Å; T275-L281 HydrophobicContact CG2-CG 4.06Å; T275-L416 HydrophobicContact CG2-CD2 3.86Å; T275-P450 PolarHBondContact N-O 3.43Å; T275-P450 CarbonylContact O-C 3.59Å; T275-P450 WeakPolarHBondContact O-CB 3.22Å; T275-H451 PolarHBondContact O-N 3.26Å
276	E	92.6	Very high	97.6	Very high	139 Å²	139	42.5 Å²	42.5	65%	0.65	21%	0.205	S	C	*	.			trans	-104.3	-18.4	-173.8	-65.2	-172	157.8	0	0	113.4	L416 P450	E276-L416 WeakPolarHBondContact O-CD1 3.31Å; E276-P450 HydrophobicContact CG-CB 3.84Å; E276-P450 HydrophobicContact CG-CG 4.08Å
277	S	96	Very high	97.5	Very high	39 Å²	39	42.8 Å²	42.8	27%	0.273	21%	0.209	S	C	.	.	S	Bend	trans	-127.5	154.4	-174.8	79.6	0	0	0	0	112.7	E279 D280	S277-E279 PolarHBondContact O-N 2.67Å; S277-E279 PolarHBondContact OG-N 3.06Å; S277-D280 PolarHBondContact N-OD2 2.81Å; S277-D280 PolarHBondContact O-N 3.35Å; S277-D280 VanDerWaalsContact OG-CG 3.25Å; S277-D280 PolarHBondContact OG-N 3.32Å; S277-D280 PolarHBondContact OG-OD2 3.44Å
278	L	97.9	Very high	97.6	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-25.8	169.7	-73.1	179	0	0	0	112.3	D280 L281 T282 T376 N377 A399 V401 L416	L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 3.4Å; L278-L281 HydrophobicContact CD2-CD1 4.24Å; L278-L281 PolarHBondContact O-N 2.89Å; L278-L281 VanDerWaalsContact O-N 3.14Å; L278-T282 VanDerWaalsContact O-CG2 3.24Å; L278-T282 WeakPolarHBondContact O-CG2 3.19Å; L278-T282 PolarHBondContact O-N 2.94Å; L278-T376 HydrophobicContact CD1-CG2 4.1Å; L278-N377 WeakPolarHBondContact CD1-OD1 3.44Å; L278-A399 HydrophobicContact CD1-CB 4.46Å; L278-A399 HydrophobicContact CD2-CB 4.44Å; L278-A399 HydrophobicContact CG-CB 4.38Å; L278-V401 HydrophobicContact CD2-CB 4.24Å; L278-V401 HydrophobicContact CD2-CG1 4.05Å; L278-L416 HydrophobicContact CD2-CG 4.2Å
279	E	97.1	Very high	97.5	Very high	153 Å²	153	42.1 Å²	42.1	72%	0.715	21%	0.206	S	C	*	.	H	α-helix	trans	-61.1	-39.1	177.8	-175	179.8	175.8	0	0	111.8	S277 L281 T282 K283	S277-E279 PolarHBondContact O-N 2.67Å; S277-E279 PolarHBondContact OG-N 3.06Å; E279-L281 VanDerWaalsContact C-N 3.3Å; E279-L281 PolarHBondContact O-N 3.24Å; E279-T282 WeakPolarHBondContact CA-OG1 3.38Å; E279-T282 PolarHBondContact O-N 3.47Å; E279-T282 PolarHBondContact O-OG1 2.89Å; E279-K283 WeakPolarHBondContact O-CB 3.49Å; E279-K283 PolarHBondContact O-N 3.27Å
280	D	95.8	Very high	97.5	Very high	76 Å²	76	43.2 Å²	43.2	41%	0.406	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-39.7	175.5	-63.7	-51.8	0	0	0	111.6	T275 S277 L278 V284	T275-D280 HydrophobicContact CG2-CB 3.65Å; S277-D280 PolarHBondContact N-OD2 2.81Å; S277-D280 PolarHBondContact O-N 3.35Å; S277-D280 VanDerWaalsContact OG-CG 3.25Å; S277-D280 PolarHBondContact OG-N 3.32Å; S277-D280 PolarHBondContact OG-OD2 3.44Å; L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 3.4Å; D280-V284 WeakPolarHBondContact O-CG2 3.49Å; D280-V284 PolarHBondContact O-N 2.67Å
281	L	97.1	Very high	97.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71	-47.1	176.8	-67.3	-176.5	0	0	0	111.9	I272 T275 L278 E279 K283 V284 I285 S415 L416	I272-L281 HydrophobicContact CD1-CD2 4.21Å; T275-L281 HydrophobicContact CG2-CD2 4Å; T275-L281 HydrophobicContact CG2-CG 4.06Å; L278-L281 HydrophobicContact CD2-CD1 4.24Å; L278-L281 PolarHBondContact O-N 2.89Å; L278-L281 VanDerWaalsContact O-N 3.14Å; E279-L281 VanDerWaalsContact C-N 3.3Å; E279-L281 PolarHBondContact O-N 3.24Å; L281-K283 PolarHBondContact O-N 3.09Å; L281-V284 PolarHBondContact O-N 3.04Å; L281-V284 VanDerWaalsContact O-N 3.1Å; L281-I285 VanDerWaalsContact O-CG1 3.28Å; L281-I285 WeakPolarHBondContact O-CG1 3.4Å; L281-I285 PolarHBondContact O-N 3.3Å; L281-S415 WeakPolarHBondContact CD1-O 3.35Å; L281-L416 HydrophobicContact CD1-CD2 4.07Å; L281-L416 HydrophobicContact CG-CD2 4.43Å
282	T	98.1	Very high	97.5	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-38.1	-178.4	62.4	0	0	0	0	111.1	L278 E279 V284 I285 E286 F374 V401	L278-T282 VanDerWaalsContact O-CG2 3.24Å; L278-T282 WeakPolarHBondContact O-CG2 3.19Å; L278-T282 PolarHBondContact O-N 2.94Å; E279-T282 WeakPolarHBondContact CA-OG1 3.38Å; E279-T282 PolarHBondContact O-N 3.47Å; E279-T282 PolarHBondContact O-OG1 2.89Å; T282-V284 PolarHBondContact O-N 3.4Å; T282-I285 PolarHBondContact O-N 2.7Å; T282-E286 WeakPolarHBondContact O-CB 2.98Å; T282-E286 PolarHBondContact O-N 2.78Å; T282-F374 HydrophobicContact CG2-CB 4.35Å; T282-F374 HydrophobicContact CG2-CD1 3.74Å; T282-F374 HydrophobicContact CG2-CD2 4.24Å; T282-F374 HydrophobicContact CG2-CE1 3.98Å; T282-F374 HydrophobicContact CG2-CE2 4.46Å; T282-F374 HydrophobicContact CG2-CG 3.86Å; T282-F374 HydrophobicContact CG2-CZ 4.34Å; T282-F374 VanDerWaalsContact O-CZ 3.26Å; T282-F374 WeakPolarHBondContact O-CZ 3.48Å; T282-V401 HydrophobicContact CG2-CG2 3.83Å
283	K	97.6	Very high	97.5	Very high	135 Å²	135	44.9 Å²	44.9	59%	0.587	22%	0.223	S	C	*	.	H	α-helix	trans	-59	-47.7	174.3	-175.2	174.9	-178.4	176.5	0	112.5	E279 L281 I285 E286 D287	E279-K283 WeakPolarHBondContact O-CB 3.49Å; E279-K283 PolarHBondContact O-N 3.27Å; L281-K283 PolarHBondContact O-N 3.09Å; K283-I285 VanDerWaalsContact C-N 3.34Å; K283-I285 PolarHBondContact O-N 3.47Å; K283-E286 PolarHBondContact O-N 3.42Å; K283-D287 VanDerWaalsContact O-CB 3.26Å; K283-D287 WeakPolarHBondContact O-CB 3.46Å; K283-D287 PolarHBondContact O-N 3.44Å
284	V	98.2	Very high	97.5	Very high	21 Å²	21	49.4 Å²	49.4	13%	0.127	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-38	179.8	179.3	0	0	0	0	111.5	Y178 F184 I272 D280 L281 T282 V288 F454	Y178-V284 HydrophobicContact CE1-CG1 4.41Å; Y178-V284 PolarHBondContact OH-O 3.14Å; F184-V284 HydrophobicContact CZ-CG1 4.12Å; I272-V284 HydrophobicContact CD1-CB 4.18Å; I272-V284 HydrophobicContact CD1-CG1 4.14Å; I272-V284 HydrophobicContact CD1-CG2 3.78Å; D280-V284 WeakPolarHBondContact O-CG2 3.49Å; D280-V284 PolarHBondContact O-N 2.67Å; L281-V284 PolarHBondContact O-N 3.04Å; L281-V284 VanDerWaalsContact O-N 3.1Å; T282-V284 PolarHBondContact O-N 3.4Å; V284-V288 WeakPolarHBondContact O-CG1 3.36Å; V284-V288 PolarHBondContact O-N 2.78Å; V284-F454 HydrophobicContact CB-CE1 4.2Å; V284-F454 HydrophobicContact CG1-CE1 3.71Å; V284-F454 HydrophobicContact CG1-CZ 4.03Å
285	I	98.6	Very high	97.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-45.8	176.2	-64	165	0	0	0	110.6	L281 T282 K283 V288 F289 F374 V401 L403 C412 F454	L281-I285 VanDerWaalsContact O-CG1 3.28Å; L281-I285 WeakPolarHBondContact O-CG1 3.4Å; L281-I285 PolarHBondContact O-N 3.3Å; T282-I285 PolarHBondContact O-N 2.7Å; K283-I285 VanDerWaalsContact C-N 3.34Å; K283-I285 PolarHBondContact O-N 3.47Å; I285-V288 VanDerWaalsContact O-CG1 3.24Å; I285-V288 WeakPolarHBondContact O-CG1 3.41Å; I285-F289 WeakPolarHBondContact O-CB 3.26Å; I285-F289 PolarHBondContact O-N 2.8Å; I285-F374 HydrophobicContact CB-CE1 4.04Å; I285-F374 HydrophobicContact CB-CZ 4.2Å; I285-F374 HydrophobicContact CD1-CE1 4.28Å; I285-F374 HydrophobicContact CG2-CE1 3.86Å; I285-F374 HydrophobicContact CG2-CZ 4.17Å; I285-V401 HydrophobicContact CD1-CG1 4.34Å; I285-L403 HydrophobicContact CG2-CB 4.3Å; I285-L403 HydrophobicContact CG2-CD2 3.68Å; I285-C412 HydrophobicContact CG2-CB 4.12Å; I285-F454 HydrophobicContact CD1-CB 3.86Å; I285-F454 HydrophobicContact CD1-CD1 4.08Å; I285-F454 HydrophobicContact CD1-CG 3.91Å; I285-F454 HydrophobicContact CG1-CB 4.06Å; I285-F454 HydrophobicContact CG1-CD1 3.51Å; I285-F454 HydrophobicContact CG1-CD2 3.84Å; I285-F454 HydrophobicContact CG1-CE1 3.79Å; I285-F454 HydrophobicContact CG1-CE2 4.1Å; I285-F454 HydrophobicContact CG1-CG 3.52Å; I285-F454 HydrophobicContact CG1-CZ 4.08Å
286	E	98.4	Very high	97.7	Very high	38 Å²	38	46 Å²	46	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-46.4	177.4	177.9	166.5	170.8	0	0	111.5	T282 K283 V288 F289 R290 F327 F374	T282-E286 WeakPolarHBondContact O-CB 2.98Å; T282-E286 PolarHBondContact O-N 2.78Å; K283-E286 PolarHBondContact O-N 3.42Å; E286-V288 PolarHBondContact O-N 3.03Å; E286-F289 PolarHBondContact O-N 2.81Å; E286-R290 HydrophobicContact CG-CG 4.32Å; E286-R290 WeakPolarHBondContact O-CB 3.17Å; E286-R290 WeakPolarHBondContact O-CG 3.34Å; E286-R290 PolarHBondContact O-N 3.24Å; E286-R290 IonicContact OE1-CZ 3.32Å; E286-R290 IonicContact OE1-NE 2.7Å; E286-R290 PolarHBondContact OE1-NE 3.1Å; E286-R290 IonicContact OE1-NH2 3.76Å; E286-R290 PolarHBondContact OE1-NH2 3.4Å; E286-F327 HydrophobicContact CB-CD2 3.95Å; E286-F327 HydrophobicContact CB-CE2 4.06Å; E286-F327 HydrophobicContact CG-CD2 3.66Å; E286-F327 HydrophobicContact CG-CE2 3.65Å; E286-F327 HydrophobicContact CG-CG 4.35Å; E286-F327 HydrophobicContact CG-CZ 4.32Å; E286-F374 HydrophobicContact CB-CE2 4.3Å; E286-F374 HydrophobicContact CB-CZ 4.13Å
287	D	98.3	Very high	98	Very high	63 Å²	63	41.6 Å²	41.6	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-43	-178.7	-77.2	-15.8	0	0	0	111.9	Y178 K283 S291	Y178-D287 HydrophobicContact CE2-CB 3.79Å; Y178-D287 VanDerWaalsContact OH-CB 3.23Å; Y178-D287 WeakPolarHBondContact OH-CB 3.25Å; K283-D287 VanDerWaalsContact O-CB 3.26Å; K283-D287 WeakPolarHBondContact O-CB 3.46Å; K283-D287 PolarHBondContact O-N 3.44Å; D287-S291 WeakPolarHBondContact O-CB 3.33Å; D287-S291 PolarHBondContact O-N 3.12Å
288	V	98.6	Very high	98.1	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-41.4	176.5	69.2	0	0	0	0	111.4	Y178 F179 V284 I285 E286 A292 F454 L456	Y178-V288 HydrophobicContact CD1-CB 3.63Å; Y178-V288 HydrophobicContact CD1-CG2 3.5Å; Y178-V288 VanDerWaalsContact CD1-CG2 3.5Å; Y178-V288 HydrophobicContact CE1-CB 3.48Å; Y178-V288 VanDerWaalsContact CE1-CB 3.48Å; Y178-V288 HydrophobicContact CE1-CG2 3.89Å; Y178-V288 HydrophobicContact CG-CB 4.22Å; Y178-V288 HydrophobicContact CG-CG2 4.04Å; F179-V288 HydrophobicContact CE2-CG2 4.05Å; F179-V288 HydrophobicContact CZ-CG2 4.26Å; V284-V288 WeakPolarHBondContact O-CG1 3.36Å; V284-V288 PolarHBondContact O-N 2.78Å; I285-V288 VanDerWaalsContact O-CG1 3.24Å; I285-V288 WeakPolarHBondContact O-CG1 3.41Å; E286-V288 PolarHBondContact O-N 3.03Å; V288-A292 WeakPolarHBondContact O-CB 3.26Å; V288-A292 PolarHBondContact O-N 2.92Å; V288-F454 HydrophobicContact CG1-CE2 4.43Å; V288-F454 HydrophobicContact CG1-CZ 4.34Å; V288-L456 HydrophobicContact CG1-CD1 4.16Å
289	F	98.6	Very high	98.1	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-51.3	177.8	176.8	-88.3	0	0	0	111.1	I285 E286 T293 M322 F327 L411 Y461	I285-F289 WeakPolarHBondContact O-CB 3.26Å; I285-F289 PolarHBondContact O-N 2.8Å; E286-F289 PolarHBondContact O-N 2.81Å; F289-T293 VanDerWaalsContact O-CB 3.25Å; F289-T293 WeakPolarHBondContact O-CB 3.33Å; F289-T293 PolarHBondContact O-N 2.98Å; F289-T293 PolarHBondContact O-OG1 2.94Å; F289-M322 HydrophobicContact CE1-CB 4.33Å; F289-M322 HydrophobicContact CZ-CE 4.17Å; F289-M322 HydrophobicContact CZ-SD 4.11Å; F289-F327 HydrophobicContact CD1-CE2 4.17Å; F289-F327 AromaticContact CD1-CZ 3.76Å; F289-F327 HydrophobicContact CD1-CZ 3.76Å; F289-F327 AromaticContact CE1-CZ 3.99Å; F289-F327 HydrophobicContact CE1-CZ 3.99Å; F289-L411 HydrophobicContact CD2-CD2 3.66Å; F289-L411 HydrophobicContact CE2-CD2 3.78Å; F289-Y461 AromaticContact CD2-CD2 3.87Å; F289-Y461 HydrophobicContact CD2-CD2 3.87Å; F289-Y461 HydrophobicContact CD2-CE2 4.02Å; F289-Y461 HydrophobicContact CE2-CD2 4.03Å; F289-Y461 HydrophobicContact CE2-CE2 4.2Å
290	R	98.3	Very high	98.1	Very high	32 Å²	32	44.9 Å²	44.9	12%	0.121	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-53.2	-179.8	-71.5	-176.1	-173.5	-64.3	-12.2	111.1	E286 A292 T293 E294 M322 L323 K325	E286-R290 HydrophobicContact CG-CG 4.32Å; E286-R290 WeakPolarHBondContact O-CB 3.17Å; E286-R290 WeakPolarHBondContact O-CG 3.34Å; E286-R290 PolarHBondContact O-N 3.24Å; E286-R290 IonicContact OE1-CZ 3.32Å; E286-R290 IonicContact OE1-NE 2.7Å; E286-R290 PolarHBondContact OE1-NE 3.1Å; E286-R290 IonicContact OE1-NH2 3.76Å; E286-R290 PolarHBondContact OE1-NH2 3.4Å; R290-A292 VanDerWaalsContact C-N 3.34Å; R290-A292 PolarHBondContact O-N 3.09Å; R290-T293 PolarHBondContact O-N 3.01Å; R290-T293 VanDerWaalsContact O-N 3.14Å; R290-E294 WeakPolarHBondContact O-CB 3.29Å; R290-E294 VanDerWaalsContact O-CG 3.32Å; R290-E294 WeakPolarHBondContact O-CG 2.97Å; R290-E294 PolarHBondContact O-N 3.4Å; R290-M322 PolarHBondContact NH1-O 3.46Å; R290-L323 HydrophobicContact CB-CD2 4.36Å; R290-L323 HydrophobicContact CG-CD2 4.32Å; R290-L323 VanDerWaalsContact NH1-CA 3.27Å; R290-L323 PolarHBondContact NH1-O 3.3Å; R290-K325 PolarHBondContact NH2-O 2.82Å
291	S	98.4	Very high	98.1	Very high	47 Å²	47	43.9 Å²	43.9	33%	0.329	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-43.2	-176.4	-171.2	0	0	0	0	112.2	D287 R295	D287-S291 WeakPolarHBondContact O-CB 3.33Å; D287-S291 PolarHBondContact O-N 3.12Å; S291-R295 WeakPolarHBondContact O-CB 3.23Å; S291-R295 PolarHBondContact O-N 2.78Å
292	A	98.6	Very high	98.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-42.7	176.8	0	0	0	0	0	111.8	A174 I175 V288 R290 R295 V296 Y461	A174-A292 HydrophobicContact CB-CB 4.19Å; I175-A292 HydrophobicContact CG1-CB 3.85Å; V288-A292 WeakPolarHBondContact O-CB 3.26Å; V288-A292 PolarHBondContact O-N 2.92Å; R290-A292 VanDerWaalsContact C-N 3.34Å; R290-A292 PolarHBondContact O-N 3.09Å; A292-R295 PolarHBondContact O-N 3.41Å; A292-V296 WeakPolarHBondContact O-CG2 3.4Å; A292-V296 PolarHBondContact O-N 3.39Å; A292-Y461 HydrophobicContact CB-CE2 4.45Å; A292-Y461 WeakPolarHBondContact CB-OH 3.09Å; A292-Y461 PolarHBondContact O-OH 3.02Å
293	T	98.6	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-47.9	-177.9	-57.8	0	0	0	0	111.2	F289 R290 R295 V296 L297 V319 L323 Y461 V465	F289-T293 VanDerWaalsContact O-CB 3.25Å; F289-T293 WeakPolarHBondContact O-CB 3.33Å; F289-T293 PolarHBondContact O-N 2.98Å; F289-T293 PolarHBondContact O-OG1 2.94Å; R290-T293 PolarHBondContact O-N 3.01Å; R290-T293 VanDerWaalsContact O-N 3.14Å; T293-R295 VanDerWaalsContact C-N 3.28Å; T293-R295 PolarHBondContact O-N 3.29Å; T293-V296 PolarHBondContact O-N 3.36Å; T293-V296 VanDerWaalsContact O-N 3.16Å; T293-L297 HydrophobicContact CG2-CD1 4.3Å; T293-L297 HydrophobicContact CG2-CG 4.37Å; T293-L297 WeakPolarHBondContact O-CG 3.37Å; T293-L297 PolarHBondContact O-N 2.89Å; T293-V319 HydrophobicContact CG2-CG1 3.92Å; T293-L323 HydrophobicContact CG2-CD1 4.08Å; T293-L323 HydrophobicContact CG2-CD2 4.06Å; T293-L323 HydrophobicContact CG2-CG 4.29Å; T293-Y461 WeakPolarHBondContact CA-OH 3.42Å; T293-Y461 PolarHBondContact N-OH 2.78Å; T293-Y461 VanDerWaalsContact N-OH 3.11Å; T293-Y461 WeakPolarHBondContact OG1-CE2 3.38Å; T293-Y461 PolarHBondContact OG1-OH 2.68Å; T293-V465 HydrophobicContact CG2-CG1 4.25Å; T293-V465 HydrophobicContact CG2-CG2 4.03Å
294	E	98.4	Very high	98.1	Very high	103 Å²	103	41.9 Å²	41.9	48%	0.481	22%	0.218	S	C	.	.	H	α-helix	trans	-56.2	-44.5	176.9	-74.1	174.3	170.2	0	0	111.6	R290 L297 A298 L323	R290-E294 WeakPolarHBondContact O-CB 3.29Å; R290-E294 VanDerWaalsContact O-CG 3.32Å; R290-E294 WeakPolarHBondContact O-CG 2.97Å; R290-E294 PolarHBondContact O-N 3.4Å; E294-L297 PolarHBondContact O-N 3.44Å; E294-A298 WeakPolarHBondContact O-CB 3.35Å; E294-A298 PolarHBondContact O-N 3.14Å; E294-L323 HydrophobicContact CG-CD1 4.14Å; E294-L323 HydrophobicContact CG-CD2 4.01Å
295	R	98.4	Very high	98	Very high	82 Å²	82	42.2 Å²	42.2	31%	0.309	22%	0.219	S	C	.	.	H	α-helix	trans	-64.7	-42.3	177.9	179.5	164.2	167.8	-179.4	-6.6	112.2	E170 A174 S177 S291 A292 T293 A298 R299	E170-R295 IonicContact OE1-CZ 2.95Å; E170-R295 IonicContact OE1-NE 3.33Å; E170-R295 PolarHBondContact OE1-NE 3.18Å; E170-R295 IonicContact OE1-NH2 3.98Å; E170-R295 PolarHBondContact OE1-NH2 3.25Å; E170-R295 VanDerWaalsContact OE1-NH2 3.1Å; A174-R295 HydrophobicContact CB-CB 4.02Å; A174-R295 HydrophobicContact CB-CG 3.96Å; S177-R295 PolarHBondContact OG-NH1 3.14Å; S291-R295 WeakPolarHBondContact O-CB 3.23Å; S291-R295 PolarHBondContact O-N 2.78Å; A292-R295 PolarHBondContact O-N 3.41Å; T293-R295 VanDerWaalsContact C-N 3.28Å; T293-R295 PolarHBondContact O-N 3.29Å; R295-A298 PolarHBondContact O-N 2.69Å; R295-R299 HydrophobicContact CG-CG 4.21Å; R295-R299 WeakPolarHBondContact O-CB 3.43Å; R295-R299 WeakPolarHBondContact O-CG 3.46Å; R295-R299 PolarHBondContact O-N 2.63Å
296	V	98.6	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-46.5	174.7	165.8	0	0	0	0	110.9	I167 E170 A171 A292 T293 A298 R299 C300 V304	I167-V296 HydrophobicContact CG2-CG1 3.87Å; E170-V296 HydrophobicContact CG-CG2 4.5Å; A171-V296 HydrophobicContact CB-CG2 3.8Å; A292-V296 WeakPolarHBondContact O-CG2 3.4Å; A292-V296 PolarHBondContact O-N 3.39Å; T293-V296 PolarHBondContact O-N 3.36Å; T293-V296 VanDerWaalsContact O-N 3.16Å; V296-A298 VanDerWaalsContact C-N 3.29Å; V296-A298 PolarHBondContact O-N 3.42Å; V296-R299 PolarHBondContact O-N 2.7Å; V296-C300 WeakPolarHBondContact O-CA 3.5Å; V296-C300 VanDerWaalsContact O-CB 3.3Å; V296-C300 WeakPolarHBondContact O-CB 3.47Å; V296-C300 PolarHBondContact O-N 3.07Å; V296-V304 HydrophobicContact CG1-CG2 3.91Å
297	L	97.9	Very high	97.8	Very high	47 Å²	47	41.6 Å²	41.6	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-38.3	177.6	-67.1	-178.2	0	0	0	112.1	T293 E294 A301 V304 V319 L323	T293-L297 HydrophobicContact CG2-CD1 4.3Å; T293-L297 HydrophobicContact CG2-CG 4.37Å; T293-L297 WeakPolarHBondContact O-CG 3.37Å; T293-L297 PolarHBondContact O-N 2.89Å; E294-L297 PolarHBondContact O-N 3.44Å; L297-A301 WeakPolarHBondContact O-CA 3.28Å; L297-A301 WeakPolarHBondContact O-CB 3.46Å; L297-A301 PolarHBondContact O-N 3.14Å; L297-V304 HydrophobicContact CD2-CB 4.42Å; L297-V304 HydrophobicContact CD2-CG1 3.74Å; L297-V304 HydrophobicContact CD2-CG2 4.4Å; L297-V319 HydrophobicContact CD1-CG1 3.96Å; L297-V319 HydrophobicContact CD2-CG1 4.46Å; L297-L323 HydrophobicContact CD1-CD1 3.42Å; L297-L323 VanDerWaalsContact CD1-CD1 3.42Å
298	A	97.9	Very high	97.8	Very high	78 Å²	78	39.1 Å²	39.1	65%	0.645	20%	0.203	S	C	*	.	H	α-helix	trans	-73.7	-41.1	179.4	0	0	0	0	0	113.1	E294 R295 V296	E294-A298 WeakPolarHBondContact O-CB 3.35Å; E294-A298 PolarHBondContact O-N 3.14Å; R295-A298 PolarHBondContact O-N 2.69Å; V296-A298 VanDerWaalsContact C-N 3.29Å; V296-A298 PolarHBondContact O-N 3.42Å
299	R	97.8	Very high	97.6	Very high	190 Å²	190	46.2 Å²	46.2	72%	0.717	23%	0.229	S	C	*	.	H	α-helix	trans	-93.3	-24.4	-172.6	-66	-65.7	-176	174	-0.9	113.9	E170 R295 V296	E170-R299 HydrophobicContact CG-CB 3.86Å; R295-R299 HydrophobicContact CG-CG 4.21Å; R295-R299 WeakPolarHBondContact O-CB 3.43Å; R295-R299 WeakPolarHBondContact O-CG 3.46Å; R295-R299 PolarHBondContact O-N 2.63Å; V296-R299 PolarHBondContact O-N 2.7Å
300	C	97.6	Very high	97.3	Very high	13 Å²	13	51.2 Å²	51.2	9%	0.088	25%	0.252	C	S	.	.	S	Bend	trans	-119.9	29.5	-178.7	-61.8	0	0	0	0	112.3	I167 E170 V296 E302 D303 V304	I167-C300 HydrophobicContact CG1-CB 3.91Å; E170-C300 WeakPolarHBondContact CB-SG 3.47Å; V296-C300 WeakPolarHBondContact O-CA 3.5Å; V296-C300 VanDerWaalsContact O-CB 3.3Å; V296-C300 WeakPolarHBondContact O-CB 3.47Å; V296-C300 PolarHBondContact O-N 3.07Å; C300-E302 VanDerWaalsContact C-N 3.31Å; C300-E302 PolarHBondContact O-N 3.3Å; C300-D303 HydrophobicContact CB-CB 4.32Å; C300-D303 PolarHBondContact O-N 2.93Å; C300-V304 HydrophobicContact CB-CG2 4.35Å; C300-V304 WeakPolarHBondContact O-CG2 3.23Å; C300-V304 PolarHBondContact O-N 3.38Å
301	A	96.6	Very high	97.1	Very high	55 Å²	55	51.3 Å²	51.3	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-49.2	-46.8	-173.8	0	0	0	0	0	113.8	L297 D305	L297-A301 WeakPolarHBondContact O-CA 3.28Å; L297-A301 WeakPolarHBondContact O-CB 3.46Å; L297-A301 PolarHBondContact O-N 3.14Å; A301-D305 WeakPolarHBondContact O-CB 3.24Å; A301-D305 PolarHBondContact O-N 2.91Å
302	E	95.9	Very high	96.9	Very high	88 Å²	88	50 Å²	50	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-67.6	-38	179.9	-61.9	-172.3	-178.3	0	0	113.1	L79 Q80 C300 L306	L79-E302 HydrophobicContact CD2-CB 4.45Å; L79-E302 WeakPolarHBondContact CD2-O 3.49Å; Q80-E302 WeakPolarHBondContact CG-OE2 3.4Å; Q80-E302 PolarHBondContact NE2-OE1 3Å; Q80-E302 PolarHBondContact NE2-OE2 3.18Å; C300-E302 VanDerWaalsContact C-N 3.31Å; C300-E302 PolarHBondContact O-N 3.3Å; E302-L306 PolarHBondContact O-N 2.96Å; E302-L306 VanDerWaalsContact O-N 3.12Å
303	D	98.1	Very high	96.6	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-43	178.9	-76.6	-44.4	0	0	0	110.8	S163 R166 I167 C300 L306 F307	S163-D303 WeakPolarHBondContact CA-OD1 3.45Å; S163-D303 WeakPolarHBondContact CB-OD1 3.45Å; S163-D303 PolarHBondContact OG-OD1 2.89Å; R166-D303 IonicContact CZ-OD1 3.32Å; R166-D303 IonicContact CZ-OD2 2.84Å; R166-D303 IonicContact NE-OD1 2.71Å; R166-D303 PolarHBondContact NE-OD1 3.2Å; R166-D303 IonicContact NE-OD2 3.1Å; R166-D303 PolarHBondContact NE-OD2 3.18Å; R166-D303 IonicContact NH2-OD1 3.43Å; R166-D303 PolarHBondContact NH2-OD1 3.34Å; R166-D303 IonicContact NH2-OD2 3.72Å; I167-D303 HydrophobicContact CD1-CB 3.69Å; I167-D303 HydrophobicContact CG1-CB 3.75Å; C300-D303 HydrophobicContact CB-CB 4.32Å; C300-D303 PolarHBondContact O-N 2.93Å; D303-L306 WeakPolarHBondContact O-CB 3.39Å; D303-L306 PolarHBondContact O-N 3.2Å; D303-F307 WeakPolarHBondContact O-CD2 3.41Å; D303-F307 PolarHBondContact O-N 3.32Å
304	V	98	Very high	96.1	Very high	4 Å²	4	57 Å²	57	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-42.3	176.5	175.7	0	0	0	0	110.8	I167 V296 L297 C300 L306 F307 H308 L466	I167-V304 HydrophobicContact CD1-CG2 4.03Å; I167-V304 HydrophobicContact CG1-CG2 4.1Å; V296-V304 HydrophobicContact CG1-CG2 3.91Å; L297-V304 HydrophobicContact CD2-CB 4.42Å; L297-V304 HydrophobicContact CD2-CG1 3.74Å; L297-V304 HydrophobicContact CD2-CG2 4.4Å; C300-V304 HydrophobicContact CB-CG2 4.35Å; C300-V304 WeakPolarHBondContact O-CG2 3.23Å; C300-V304 PolarHBondContact O-N 3.38Å; V304-L306 VanDerWaalsContact C-N 3.27Å; V304-L306 PolarHBondContact O-N 3.44Å; V304-F307 WeakPolarHBondContact O-CA 3.05Å; V304-F307 WeakPolarHBondContact O-CB 3.14Å; V304-F307 PolarHBondContact O-N 2.87Å; V304-H308 WeakPolarHBondContact CG1-CE1 3.16Å; V304-H308 PolarHBondContact O-N 3.38Å; V304-L466 HydrophobicContact CG2-CD2 4.36Å
305	D	97	Very high	96	Very high	28 Å²	28	53.4 Å²	53.4	15%	0.15	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-35.6	178	-178.7	81.1	0	0	0	112.2	A301 F307 H308 R309 R316	A301-D305 WeakPolarHBondContact O-CB 3.24Å; A301-D305 PolarHBondContact O-N 2.91Å; D305-F307 VanDerWaalsContact C-N 3.29Å; D305-F307 PolarHBondContact O-N 3.11Å; D305-H308 PolarHBondContact O-N 2.91Å; D305-R309 VanDerWaalsContact CG-NE 3.26Å; D305-R309 VanDerWaalsContact CG-NH2 3.27Å; D305-R309 VanDerWaalsContact O-CB 3.26Å; D305-R309 WeakPolarHBondContact O-CB 3.41Å; D305-R309 VanDerWaalsContact O-CG 3.31Å; D305-R309 WeakPolarHBondContact O-CG 3.29Å; D305-R309 PolarHBondContact O-N 3.12Å; D305-R309 IonicContact OD1-CZ 3.54Å; D305-R309 IonicContact OD1-NE 3.95Å; D305-R309 PolarHBondContact OD1-NE 3.22Å; D305-R309 IonicContact OD1-NH1 2.79Å; D305-R309 IonicContact OD1-NH2 3.01Å; D305-R309 PolarHBondContact OD1-NH2 2.79Å; D305-R309 VanDerWaalsContact OD2-CD 3.27Å; D305-R309 WeakPolarHBondContact OD2-CD 3.44Å; D305-R309 IonicContact OD2-CZ 2.7Å; D305-R309 IonicContact OD2-NE 3.42Å; D305-R309 PolarHBondContact OD2-NE 2.83Å; D305-R309 IonicContact OD2-NH1 3.09Å; D305-R309 PolarHBondContact OD2-NH1 2.89Å; D305-R309 IonicContact OD2-NH2 2.75Å; D305-R309 PolarHBondContact OD2-NH2 2.81Å; D305-R309 VanDerWaalsContact OD2-NH2 3.09Å; D305-R316 IonicContact OD1-NH1 3.72Å
306	L	96.2	Very high	95.8	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-41.9	171	177	146.7	0	0	0	112	L79 N159 A160 E302 D303 V304 H310 V311	L79-L306 HydrophobicContact CD1-CD1 3.52Å; L79-L306 HydrophobicContact CD2-CB 3.89Å; L79-L306 HydrophobicContact CD2-CD1 3.73Å; L79-L306 HydrophobicContact CD2-CG 4.46Å; L79-L306 HydrophobicContact CG-CD1 4.27Å; N159-L306 HydrophobicContact CB-CD1 3.88Å; A160-L306 HydrophobicContact CB-CD2 4.26Å; E302-L306 PolarHBondContact O-N 2.96Å; E302-L306 VanDerWaalsContact O-N 3.12Å; D303-L306 WeakPolarHBondContact O-CB 3.39Å; D303-L306 PolarHBondContact O-N 3.2Å; V304-L306 VanDerWaalsContact C-N 3.27Å; V304-L306 PolarHBondContact O-N 3.44Å; L306-H310 WeakPolarHBondContact O-CB 3.49Å; L306-H310 PolarHBondContact O-N 3.28Å; L306-H310 VanDerWaalsContact O-N 3.1Å; L306-V311 HydrophobicContact CD2-CG2 4.36Å
307	F	96.9	Very high	95.6	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.026	32%	0.319	C	S	.	.	I	π-helix	trans	-65.5	-57	175.9	-83.5	-96.1	0	0	0	110.4	A160 L164 I167 D303 V304 D305 R309 H310 V311 T312 L466 V468	A160-F307 WeakPolarHBondContact O-CE2 3.47Å; A160-F307 WeakPolarHBondContact O-CZ 3.43Å; L164-F307 HydrophobicContact CB-CE2 4.35Å; L164-F307 HydrophobicContact CB-CZ 3.95Å; I167-F307 HydrophobicContact CD1-CD2 4.07Å; I167-F307 HydrophobicContact CD1-CE2 4.13Å; D303-F307 WeakPolarHBondContact O-CD2 3.41Å; D303-F307 PolarHBondContact O-N 3.32Å; V304-F307 WeakPolarHBondContact O-CA 3.05Å; V304-F307 WeakPolarHBondContact O-CB 3.14Å; V304-F307 PolarHBondContact O-N 2.87Å; D305-F307 VanDerWaalsContact C-N 3.29Å; D305-F307 PolarHBondContact O-N 3.11Å; F307-R309 PolarHBondContact O-N 2.84Å; F307-R309 VanDerWaalsContact O-N 3.15Å; F307-H310 PolarHBondContact O-N 2.92Å; F307-V311 HydrophobicContact CB-CB 4.44Å; F307-V311 HydrophobicContact CD1-CB 3.81Å; F307-V311 HydrophobicContact CD1-CG1 3.96Å; F307-V311 HydrophobicContact CD1-CG2 3.83Å; F307-V311 HydrophobicContact CE1-CB 4.43Å; F307-V311 HydrophobicContact CE1-CG1 4.25Å; F307-V311 HydrophobicContact CE1-CG2 4.17Å; F307-V311 HydrophobicContact CG-CB 4.38Å; F307-V311 HydrophobicContact CG-CG2 4.22Å; F307-V311 CarbonylContact O-C 3.56Å; F307-V311 WeakPolarHBondContact O-CA 3.49Å; F307-V311 PolarHBondContact O-N 3.46Å; F307-T312 PolarHBondContact O-N 3.31Å; F307-T312 PolarHBondContact O-OG1 2.71Å; F307-L466 HydrophobicContact CB-CD2 4.24Å; F307-L466 HydrophobicContact CD1-CB 4.04Å; F307-L466 HydrophobicContact CD1-CD1 4.3Å; F307-L466 HydrophobicContact CD2-CD2 4.28Å; F307-L466 HydrophobicContact CE1-CD1 4.22Å; F307-L466 HydrophobicContact CE2-CD1 4.45Å; F307-L466 HydrophobicContact CG-CB 4.33Å; F307-L466 HydrophobicContact CG-CD1 4.47Å; F307-L466 HydrophobicContact CG-CD2 4.12Å; F307-L466 HydrophobicContact CZ-CD1 4.32Å; F307-V468 HydrophobicContact CD1-CG2 3.76Å; F307-V468 HydrophobicContact CE1-CG2 3.7Å
308	H	96.6	Very high	95.5	Very high	11 Å²	11	59.8 Å²	59.8	5%	0.051	32%	0.316	C	S	.	.	I	π-helix	trans	-67.3	-17.6	-174	-62.3	171.6	0	0	0	114.4	V304 D305 P313 G314 H315 R316 V465	V304-H308 WeakPolarHBondContact CG1-CE1 3.16Å; V304-H308 PolarHBondContact O-N 3.38Å; D305-H308 PolarHBondContact O-N 2.91Å; H308-P313 VanDerWaalsContact O-CA 3.23Å; H308-P313 WeakPolarHBondContact O-CA 3.18Å; H308-G314 PolarHBondContact O-N 2.87Å; H308-H315 AromaticContact CD2-CD2 3.97Å; H308-H315 AromaticContact NE2-CD2 3.67Å; H308-R316 HydrophobicContact CB-CB 4.09Å; H308-V465 PolarHBondContact NE2-O 2.92Å
309	R	95.3	Very high	95.4	Very high	152 Å²	152	56.1 Å²	56.1	57%	0.574	29%	0.286	S	S	*	.	I	π-helix	trans	-93	-36.2	173.3	-71.1	-174.4	-175.9	160.6	13.5	113.8	D305 F307	D305-R309 VanDerWaalsContact CG-NE 3.26Å; D305-R309 VanDerWaalsContact CG-NH2 3.27Å; D305-R309 VanDerWaalsContact O-CB 3.26Å; D305-R309 WeakPolarHBondContact O-CB 3.41Å; D305-R309 VanDerWaalsContact O-CG 3.31Å; D305-R309 WeakPolarHBondContact O-CG 3.29Å; D305-R309 PolarHBondContact O-N 3.12Å; D305-R309 IonicContact OD1-CZ 3.54Å; D305-R309 IonicContact OD1-NE 3.95Å; D305-R309 PolarHBondContact OD1-NE 3.22Å; D305-R309 IonicContact OD1-NH1 2.79Å; D305-R309 IonicContact OD1-NH2 3.01Å; D305-R309 PolarHBondContact OD1-NH2 2.79Å; D305-R309 VanDerWaalsContact OD2-CD 3.27Å; D305-R309 WeakPolarHBondContact OD2-CD 3.44Å; D305-R309 IonicContact OD2-CZ 2.7Å; D305-R309 IonicContact OD2-NE 3.42Å; D305-R309 PolarHBondContact OD2-NE 2.83Å; D305-R309 IonicContact OD2-NH1 3.09Å; D305-R309 PolarHBondContact OD2-NH1 2.89Å; D305-R309 IonicContact OD2-NH2 2.75Å; D305-R309 PolarHBondContact OD2-NH2 2.81Å; D305-R309 VanDerWaalsContact OD2-NH2 3.09Å; F307-R309 PolarHBondContact O-N 2.84Å; F307-R309 VanDerWaalsContact O-N 3.15Å
310	H	93.3	Very high	95.3	Very high	106 Å²	106	50.6 Å²	50.6	49%	0.491	27%	0.268	S	S	.	.	I	π-helix	trans	-118.1	-38	-166.9	-60.2	-50.2	0	0	0	113.3	R142 L306 F307	R142-H310 PolarHBondContact NH1-O 3.31Å; R142-H310 PolarHBondContact NH2-O 3.06Å; L306-H310 WeakPolarHBondContact O-CB 3.49Å; L306-H310 PolarHBondContact O-N 3.28Å; L306-H310 VanDerWaalsContact O-N 3.1Å; F307-H310 PolarHBondContact O-N 2.92Å
311	V	92.4	Very high	95.1	Very high	33 Å²	33	51.2 Å²	51.2	20%	0.2	27%	0.274	C	S	.	.	I	π-helix	trans	-86.9	-46.7	-178.3	-171	0	0	0	0	110.1	L145 L306 F307	L145-V311 HydrophobicContact CD1-CG1 4.27Å; L306-V311 HydrophobicContact CD2-CG2 4.36Å; F307-V311 HydrophobicContact CB-CB 4.44Å; F307-V311 HydrophobicContact CD1-CB 3.81Å; F307-V311 HydrophobicContact CD1-CG1 3.96Å; F307-V311 HydrophobicContact CD1-CG2 3.83Å; F307-V311 HydrophobicContact CE1-CB 4.43Å; F307-V311 HydrophobicContact CE1-CG1 4.25Å; F307-V311 HydrophobicContact CE1-CG2 4.17Å; F307-V311 HydrophobicContact CG-CB 4.38Å; F307-V311 HydrophobicContact CG-CG2 4.22Å; F307-V311 CarbonylContact O-C 3.56Å; F307-V311 WeakPolarHBondContact O-CA 3.49Å; F307-V311 PolarHBondContact O-N 3.46Å
312	T	94.1	Very high	95.1	Very high	19 Å²	19	48.6 Å²	48.6	12%	0.117	25%	0.253	C	S	.	.	S	Bend	trans	-134.5	67	-172.9	47.8	0	0	0	0	110.9	F307 G314 H315 L466 G467	F307-T312 PolarHBondContact O-N 3.31Å; F307-T312 PolarHBondContact O-OG1 2.71Å; T312-G314 PolarHBondContact O-N 3.19Å; T312-H315 VanDerWaalsContact O-CB 3.27Å; T312-H315 WeakPolarHBondContact O-CB 3.44Å; T312-H315 PolarHBondContact O-N 3.26Å; T312-H315 VanDerWaalsContact O-N 3.12Å; T312-L466 WeakPolarHBondContact CB-O 3.49Å; T312-L466 WeakPolarHBondContact CG2-O 3.31Å; T312-L466 PolarHBondContact OG1-O 2.93Å; T312-G467 WeakPolarHBondContact CG2-O 3.4Å
313	P	93.7	Very high	95.1	Very high	100 Å²	100	45.6 Å²	45.6	65%	0.649	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	128.3	-178.8	-26	35.9	0	0	0	113	H308	H308-P313 VanDerWaalsContact O-CA 3.23Å; H308-P313 WeakPolarHBondContact O-CA 3.18Å
314	G	88.4	Confident	95	Very high	48 Å²	48	51.5 Å²	51.5	50%	0.495	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-5.6	178.4	0	0	0	0	0	115	H308 T312 R316 D317	H308-G314 PolarHBondContact O-N 2.87Å; T312-G314 PolarHBondContact O-N 3.19Å; G314-R316 PolarHBondContact O-N 3.43Å; G314-D317 PolarHBondContact O-N 3.19Å
315	H	95.3	Very high	94.9	Very high	28 Å²	28	56.5 Å²	56.5	13%	0.13	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-19.5	-178.6	-165.1	67.3	0	0	0	114	H308 T312 D317 T318 V319 C464 G467	H308-H315 AromaticContact CD2-CD2 3.97Å; H308-H315 AromaticContact NE2-CD2 3.67Å; T312-H315 VanDerWaalsContact O-CB 3.27Å; T312-H315 WeakPolarHBondContact O-CB 3.44Å; T312-H315 PolarHBondContact O-N 3.26Å; T312-H315 VanDerWaalsContact O-N 3.12Å; H315-D317 VanDerWaalsContact C-N 3.3Å; H315-D317 PolarHBondContact O-N 3.4Å; H315-T318 WeakPolarHBondContact O-CB 3.43Å; H315-T318 PolarHBondContact O-N 2.95Å; H315-V319 PolarHBondContact O-N 3.45Å; H315-V319 VanDerWaalsContact O-N 3.07Å; H315-C464 PolarHBondContact CE1-O 3.39Å; H315-C464 PolarHBondContact NE2-O 3.36Å; H315-G467 PolarHBondContact CD2-N 3.26Å; H315-G467 VanDerWaalsContact CD2-N 3.3Å; H315-G467 WeakPolarHBondContact NE2-CA 3.5Å; H315-G467 PolarHBondContact NE2-N 3.03Å
316	R	94.9	Very high	94.7	Very high	121 Å²	121	59.6 Å²	59.6	46%	0.457	32%	0.316	S	S	.	.	H	α-helix	trans	-56.2	-44.6	176.2	-175.4	173.2	179.4	141.5	3.3	112.1	D305 H308 G314 T318 V319 E320	D305-R316 IonicContact OD1-NH1 3.72Å; H308-R316 HydrophobicContact CB-CB 4.09Å; G314-R316 PolarHBondContact O-N 3.43Å; R316-T318 VanDerWaalsContact C-N 3.28Å; R316-T318 PolarHBondContact O-N 3.39Å; R316-V319 PolarHBondContact O-N 3.37Å; R316-V319 VanDerWaalsContact O-N 3.16Å; R316-E320 HydrophobicContact CG-CG 4.38Å; R316-E320 WeakPolarHBondContact CG-OE1 3.5Å; R316-E320 IonicContact CZ-OE1 2.76Å; R316-E320 IonicContact NE-OE1 3.13Å; R316-E320 PolarHBondContact NE-OE1 3.45Å; R316-E320 IonicContact NH2-OE1 3.97Å; R316-E320 WeakPolarHBondContact O-CG 3.45Å; R316-E320 PolarHBondContact O-N 2.95Å
317	D	93.9	Very high	94.8	Very high	113 Å²	113	59.1 Å²	59.1	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-64.3	-36.9	-178.9	-59.4	-13.8	0	0	0	110.9	G314 H315 A321	G314-D317 PolarHBondContact O-N 3.19Å; H315-D317 VanDerWaalsContact C-N 3.3Å; H315-D317 PolarHBondContact O-N 3.4Å; D317-A321 WeakPolarHBondContact O-CB 3.43Å; D317-A321 PolarHBondContact O-N 3.17Å
318	T	94.7	Very high	94.9	Very high	29 Å²	29	60.8 Å²	60.8	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-52.4	172.4	-54.1	0	0	0	0	110.1	H315 R316 E320 A321 M322 P406	H315-T318 WeakPolarHBondContact O-CB 3.43Å; H315-T318 PolarHBondContact O-N 2.95Å; R316-T318 VanDerWaalsContact C-N 3.28Å; R316-T318 PolarHBondContact O-N 3.39Å; T318-E320 PolarHBondContact O-N 3.28Å; T318-A321 WeakPolarHBondContact O-CB 3.39Å; T318-A321 PolarHBondContact O-N 3.09Å; T318-A321 VanDerWaalsContact O-N 3.13Å; T318-M322 HydrophobicContact CG2-CE 4.49Å; T318-M322 VanDerWaalsContact O-CG 3.23Å; T318-M322 WeakPolarHBondContact O-CG 3.49Å; T318-M322 PolarHBondContact O-N 3.12Å; T318-P406 HydrophobicContact CG2-CB 3.96Å; T318-P406 HydrophobicContact CG2-CG 4.22Å
319	V	96.6	Very high	95	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-43.9	-179.3	178.9	0	0	0	0	111.9	T293 L297 H315 R316 A321 M322 L323 V465	T293-V319 HydrophobicContact CG2-CG1 3.92Å; L297-V319 HydrophobicContact CD1-CG1 3.96Å; L297-V319 HydrophobicContact CD2-CG1 4.46Å; H315-V319 PolarHBondContact O-N 3.45Å; H315-V319 VanDerWaalsContact O-N 3.07Å; R316-V319 PolarHBondContact O-N 3.37Å; R316-V319 VanDerWaalsContact O-N 3.16Å; V319-A321 VanDerWaalsContact C-N 3.31Å; V319-A321 PolarHBondContact O-N 2.95Å; V319-M322 HydrophobicContact CB-CE 4.23Å; V319-M322 HydrophobicContact CG2-CE 3.87Å; V319-M322 PolarHBondContact O-N 3.18Å; V319-L323 HydrophobicContact CG1-CD1 4.4Å; V319-L323 WeakPolarHBondContact O-CG 3.47Å; V319-L323 PolarHBondContact O-N 3.28Å; V319-V465 WeakPolarHBondContact CG2-O 3.33Å
320	E	95.1	Very high	95.1	Very high	74 Å²	74	57.9 Å²	57.9	35%	0.346	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-38.5	175.7	-71.3	178.5	-174	0	0	111.4	R316 T318 L323 N324	R316-E320 HydrophobicContact CG-CG 4.38Å; R316-E320 WeakPolarHBondContact CG-OE1 3.5Å; R316-E320 IonicContact CZ-OE1 2.76Å; R316-E320 IonicContact NE-OE1 3.13Å; R316-E320 PolarHBondContact NE-OE1 3.45Å; R316-E320 IonicContact NH2-OE1 3.97Å; R316-E320 WeakPolarHBondContact O-CG 3.45Å; R316-E320 PolarHBondContact O-N 2.95Å; T318-E320 PolarHBondContact O-N 3.28Å; E320-L323 PolarHBondContact O-N 2.79Å; E320-N324 WeakPolarHBondContact O-CB 3.33Å; E320-N324 PolarHBondContact O-N 2.77Å; E320-N324 PolarHBondContact O-ND2 3.24Å
321	A	94.9	Very high	95.4	Very high	26 Å²	26	54 Å²	54	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-41.3	173.7	0	0	0	0	0	112.3	D317 T318 V319 L323 N324 K325 V371	D317-A321 WeakPolarHBondContact O-CB 3.43Å; D317-A321 PolarHBondContact O-N 3.17Å; T318-A321 WeakPolarHBondContact O-CB 3.39Å; T318-A321 PolarHBondContact O-N 3.09Å; T318-A321 VanDerWaalsContact O-N 3.13Å; V319-A321 VanDerWaalsContact C-N 3.31Å; V319-A321 PolarHBondContact O-N 2.95Å; A321-L323 VanDerWaalsContact C-N 3.29Å; A321-L323 PolarHBondContact O-N 3.33Å; A321-N324 PolarHBondContact O-N 3.05Å; A321-K325 HydrophobicContact CB-CD 4.49Å; A321-K325 WeakPolarHBondContact O-CB 3.48Å; A321-K325 PolarHBondContact O-N 3.16Å; A321-K325 VanDerWaalsContact O-N 3.1Å; A321-V371 HydrophobicContact CB-CG1 4.49Å
322	M	96	Very high	95.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-40.2	175	-55.8	-164.8	-79.5	0	0	111	F289 R290 T318 V319 F327 P372 P406	F289-M322 HydrophobicContact CE1-CB 4.33Å; F289-M322 HydrophobicContact CZ-CE 4.17Å; F289-M322 HydrophobicContact CZ-SD 4.11Å; R290-M322 PolarHBondContact NH1-O 3.46Å; T318-M322 HydrophobicContact CG2-CE 4.49Å; T318-M322 VanDerWaalsContact O-CG 3.23Å; T318-M322 WeakPolarHBondContact O-CG 3.49Å; T318-M322 PolarHBondContact O-N 3.12Å; V319-M322 HydrophobicContact CB-CE 4.23Å; V319-M322 HydrophobicContact CG2-CE 3.87Å; V319-M322 PolarHBondContact O-N 3.18Å; M322-F327 VanDerWaalsContact O-CE1 3.32Å; M322-F327 WeakPolarHBondContact O-CE1 3.44Å; M322-P372 HydrophobicContact CB-CG 4.2Å; M322-P372 HydrophobicContact CG-CG 4.07Å; M322-P372 HydrophobicContact SD-CG 3.78Å; M322-P406 HydrophobicContact CG-CG 4.49Å; M322-P406 HydrophobicContact SD-CG 3.99Å
323	L	96.6	Very high	95.8	Very high	25 Å²	25	53.7 Å²	53.7	13%	0.131	31%	0.306	C	S	.	.	H	α-helix	trans	-74.7	-24.7	-179.3	-71.5	-179.5	0	0	0	114.7	R290 T293 E294 L297 V319 E320 A321	R290-L323 HydrophobicContact CB-CD2 4.36Å; R290-L323 HydrophobicContact CG-CD2 4.32Å; R290-L323 VanDerWaalsContact NH1-CA 3.27Å; R290-L323 PolarHBondContact NH1-O 3.3Å; T293-L323 HydrophobicContact CG2-CD1 4.08Å; T293-L323 HydrophobicContact CG2-CD2 4.06Å; T293-L323 HydrophobicContact CG2-CG 4.29Å; E294-L323 HydrophobicContact CG-CD1 4.14Å; E294-L323 HydrophobicContact CG-CD2 4.01Å; L297-L323 HydrophobicContact CD1-CD1 3.42Å; L297-L323 VanDerWaalsContact CD1-CD1 3.42Å; V319-L323 HydrophobicContact CG1-CD1 4.4Å; V319-L323 WeakPolarHBondContact O-CG 3.47Å; V319-L323 PolarHBondContact O-N 3.28Å; E320-L323 PolarHBondContact O-N 2.79Å; A321-L323 VanDerWaalsContact C-N 3.29Å; A321-L323 PolarHBondContact O-N 3.33Å
324	N	95.5	Very high	96	Very high	135 Å²	135	53.6 Å²	53.6	72%	0.722	30%	0.297	S	S	*	.	H	α-helix	trans	-103.9	-15	-173.7	-69.3	-51.2	0	0	0	114.7	E320 A321	E320-N324 WeakPolarHBondContact O-CB 3.33Å; E320-N324 PolarHBondContact O-N 2.77Å; E320-N324 PolarHBondContact O-ND2 3.24Å; A321-N324 PolarHBondContact O-N 3.05Å
325	K	95.6	Very high	96.5	Very high	109 Å²	109	51.3 Å²	51.3	47%	0.474	27%	0.274	S	S	.	.	S	Bend	trans	-108.9	143.9	-179.3	-65.6	175	174.4	-178.8	0	110.6	R290 A321 V371	R290-K325 PolarHBondContact NH2-O 2.82Å; A321-K325 HydrophobicContact CB-CD 4.49Å; A321-K325 WeakPolarHBondContact O-CB 3.48Å; A321-K325 PolarHBondContact O-N 3.16Å; A321-K325 VanDerWaalsContact O-N 3.1Å; K325-V371 HydrophobicContact CB-CG1 4.1Å; K325-V371 HydrophobicContact CD-CG1 3.65Å; K325-V371 HydrophobicContact CG-CG1 4.49Å
326	S	93.5	Very high	96.6	Very high	94 Å²	94	50.2 Å²	50.2	66%	0.657	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-62.1	146.4	171.2	54	0	0	0	0	111.2	P328	S326-P328 WeakPolarHBondContact O-CD 3.5Å
327	F	97.8	Very high	96.8	Very high	10 Å²	10	47.7 Å²	47.7	4%	0.044	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-81	118.8	175	-62.6	-9.6	0	0	0	109.5	E286 F289 M322 P372 F374 L403	E286-F327 HydrophobicContact CB-CD2 3.95Å; E286-F327 HydrophobicContact CB-CE2 4.06Å; E286-F327 HydrophobicContact CG-CD2 3.66Å; E286-F327 HydrophobicContact CG-CE2 3.65Å; E286-F327 HydrophobicContact CG-CG 4.35Å; E286-F327 HydrophobicContact CG-CZ 4.32Å; F289-F327 HydrophobicContact CD1-CE2 4.17Å; F289-F327 AromaticContact CD1-CZ 3.76Å; F289-F327 HydrophobicContact CD1-CZ 3.76Å; F289-F327 AromaticContact CE1-CZ 3.99Å; F289-F327 HydrophobicContact CE1-CZ 3.99Å; M322-F327 VanDerWaalsContact O-CE1 3.32Å; M322-F327 WeakPolarHBondContact O-CE1 3.44Å; F327-P372 WeakPolarHBondContact CA-O 3.33Å; F327-P372 WeakPolarHBondContact CB-O 3.31Å; F327-P372 HydrophobicContact CD1-CB 3.71Å; F327-P372 HydrophobicContact CD1-CG 3.99Å; F327-P372 HydrophobicContact CD2-CB 3.83Å; F327-P372 HydrophobicContact CE1-CB 3.69Å; F327-P372 HydrophobicContact CE1-CG 3.49Å; F327-P372 VanDerWaalsContact CE1-CG 3.49Å; F327-P372 HydrophobicContact CE2-CB 3.8Å; F327-P372 HydrophobicContact CE2-CG 4.11Å; F327-P372 HydrophobicContact CG-CB 3.81Å; F327-P372 HydrophobicContact CZ-CB 3.75Å; F327-P372 HydrophobicContact CZ-CG 3.57Å; F327-F374 HydrophobicContact CB-CD2 3.87Å; F327-F374 HydrophobicContact CB-CE2 3.72Å; F327-F374 AromaticContact CD2-CE2 3.73Å; F327-F374 HydrophobicContact CD2-CE2 3.73Å; F327-F374 HydrophobicContact CD2-CZ 4.12Å; F327-F374 HydrophobicContact CG-CE2 4.25Å; F327-L403 HydrophobicContact CD2-CD1 4.1Å
328	P	98.1	Very high	96.9	Very high	41 Å²	41	43.6 Å²	43.6	27%	0.266	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-61.6	143.3	175.5	-23.7	37.1	0	0	0	110.5	S326 C368 V371 P372 V373 F374	S326-P328 WeakPolarHBondContact O-CD 3.5Å; P328-C368 HydrophobicContact CG-CB 4.2Å; P328-V371 HydrophobicContact CG-CG2 4.27Å; P328-P372 WeakPolarHBondContact CD-O 3.41Å; P328-V373 HydrophobicContact CB-CG1 4.46Å; P328-V373 CarbonylContact O-C 3.46Å; P328-V373 WeakPolarHBondContact O-CA 3.37Å; P328-F374 PolarHBondContact O-N 3.43Å
329	V	98.5	Very high	97.1	Very high	83 Å²	83	42.3 Å²	42.3	50%	0.503	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.7	172.7	-174.1	0	0	0	0	107.2	F374 T376	V329-F374 WeakPolarHBondContact CA-O 3.24Å; V329-F374 HydrophobicContact CB-CB 4.39Å; V329-F374 HydrophobicContact CG1-CB 4.2Å; V329-F374 HydrophobicContact CG2-CB 4.12Å; V329-F374 HydrophobicContact CG2-CD2 4.04Å; V329-F374 HydrophobicContact CG2-CG 4.48Å; V329-T376 HydrophobicContact CG1-CG2 3.77Å
330	I	98.6	Very high	97.1	Very high	20 Å²	20	46.7 Å²	46.7	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.3	174.7	62.1	177.3	0	0	0	109	E334 A335 I338 L364 V373 F374 V375 T376	I330-E334 HydrophobicContact CB-CB 4.33Å; I330-A335 HydrophobicContact CD1-CB 3.92Å; I330-I338 HydrophobicContact CD1-CD1 4.17Å; I330-L364 HydrophobicContact CD1-CD2 4.21Å; I330-V373 HydrophobicContact CD1-CG1 3.99Å; I330-V373 HydrophobicContact CG1-CG1 3.93Å; I330-F374 PolarHBondContact N-O 3.3Å; I330-V375 HydrophobicContact CD1-CG2 4.22Å; I330-V375 HydrophobicContact CG1-CG2 4.06Å; I330-V375 CarbonylContact O-C 3.42Å; I330-V375 VanDerWaalsContact O-CA 3.27Å; I330-V375 WeakPolarHBondContact O-CA 3.37Å; I330-T376 PolarHBondContact O-N 3.28Å; I330-T376 PolarHBondContact O-OG1 3.12Å; I330-T376 VanDerWaalsContact O-OG1 3.04Å
331	S	98.4	Very high	97.1	Very high	25 Å²	25	52.7 Å²	52.7	18%	0.175	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	159.4	167.4	62.3	0	0	0	0	110.8	T333 E334 A335 T376	S331-T333 PolarHBondContact O-N 3.42Å; S331-E334 WeakPolarHBondContact CB-OE2 3.43Å; S331-E334 PolarHBondContact N-OE2 2.86Å; S331-E334 PolarHBondContact O-N 2.95Å; S331-E334 WeakPolarHBondContact OG-CB 3.33Å; S331-E334 VanDerWaalsContact OG-CG 3.24Å; S331-E334 WeakPolarHBondContact OG-CG 3.28Å; S331-E334 PolarHBondContact OG-N 3.12Å; S331-E334 PolarHBondContact OG-OE2 3.04Å; S331-A335 PolarHBondContact O-N 2.91Å; S331-T376 CarbonylContact C-O 3.51Å; S331-T376 VanDerWaalsContact CA-O 3.31Å; S331-T376 WeakPolarHBondContact CA-O 3.26Å
332	Y	98.4	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.8	-43	171	170.4	-88.1	0	0	0	110.8	E334 A335 I336 W352 G353 C354 L356 T376 N377 Y378 P379	Y332-E334 VanDerWaalsContact C-N 3.33Å; Y332-E334 PolarHBondContact O-N 2.75Å; Y332-A335 WeakPolarHBondContact O-CA 3.25Å; Y332-A335 WeakPolarHBondContact O-CB 3.15Å; Y332-A335 PolarHBondContact O-N 2.75Å; Y332-A335 VanDerWaalsContact O-N 3.11Å; Y332-I336 HydrophobicContact CD1-CG1 4.04Å; Y332-I336 HydrophobicContact CE1-CD1 4.2Å; Y332-I336 HydrophobicContact CE1-CG1 3.52Å; Y332-I336 HydrophobicContact CE2-CD1 4.04Å; Y332-I336 HydrophobicContact CE2-CG1 4.16Å; Y332-I336 WeakPolarHBondContact O-CG1 3.29Å; Y332-I336 PolarHBondContact O-N 3.03Å; Y332-W352 AromaticContact CD1-NE1 3.74Å; Y332-W352 AromaticContact CE1-CD1 3.64Å; Y332-W352 HydrophobicContact CE1-CD2 4.23Å; Y332-W352 AromaticContact CE1-CG 3.98Å; Y332-W352 HydrophobicContact CE1-CG 3.98Å; Y332-W352 AromaticContact CE1-NE1 3.69Å; Y332-G353 PolarHBondContact OH-N 3.31Å; Y332-C354 PolarHBondContact OH-N 2.8Å; Y332-C354 PolarHBondContact OH-O 3.09Å; Y332-L356 HydrophobicContact CD2-CD1 4.32Å; Y332-L356 HydrophobicContact CD2-CG 4.33Å; Y332-L356 HydrophobicContact CE2-CD2 4.28Å; Y332-L356 HydrophobicContact CE2-CG 4.1Å; Y332-T376 PolarHBondContact N-O 3.06Å; Y332-N377 WeakPolarHBondContact CB-O 3.33Å; Y332-Y378 AromaticContact CD2-CD1 3.71Å; Y332-Y378 HydrophobicContact CD2-CD1 3.71Å; Y332-Y378 AromaticContact CD2-CE1 3.93Å; Y332-Y378 HydrophobicContact CD2-CE1 3.93Å; Y332-Y378 HydrophobicContact CD2-CG 4.28Å; Y332-Y378 HydrophobicContact CE2-CD1 4.28Å; Y332-Y378 HydrophobicContact CG-CD1 4.5Å; Y332-P379 VanDerWaalsContact CD1-CD 3.48Å; Y332-P379 HydrophobicContact CD1-CG 3.78Å; Y332-P379 HydrophobicContact CE1-CG 3.36Å; Y332-P379 HydrophobicContact CE2-CG 4.17Å; Y332-P379 HydrophobicContact CG-CG 4.34Å
333	T	97.5	Very high	96.9	Very high	44 Å²	44	58.3 Å²	58.3	27%	0.27	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-43.4	177.2	-57.3	0	0	0	0	111.7	S331 I336 D337 W352	S331-T333 PolarHBondContact O-N 3.42Å; T333-I336 PolarHBondContact O-N 3.45Å; T333-D337 PolarHBondContact O-N 3.31Å; T333-W352 PolarHBondContact OG1-NE1 3.17Å
334	E	98.2	Very high	96.7	Very high	98 Å²	98	61.1 Å²	61.1	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-66	-37.6	174.1	-72.2	164.9	125.9	0	0	112.4	I330 S331 Y332 D337 I338	I330-E334 HydrophobicContact CB-CB 4.33Å; S331-E334 WeakPolarHBondContact CB-OE2 3.43Å; S331-E334 PolarHBondContact N-OE2 2.86Å; S331-E334 PolarHBondContact O-N 2.95Å; S331-E334 WeakPolarHBondContact OG-CB 3.33Å; S331-E334 VanDerWaalsContact OG-CG 3.24Å; S331-E334 WeakPolarHBondContact OG-CG 3.28Å; S331-E334 PolarHBondContact OG-N 3.12Å; S331-E334 PolarHBondContact OG-OE2 3.04Å; Y332-E334 VanDerWaalsContact C-N 3.33Å; Y332-E334 PolarHBondContact O-N 2.75Å; E334-D337 WeakPolarHBondContact O-CB 3.48Å; E334-D337 PolarHBondContact O-N 2.81Å; E334-I338 VanDerWaalsContact O-CG1 3.26Å; E334-I338 WeakPolarHBondContact O-CG1 3.38Å; E334-I338 PolarHBondContact O-N 2.9Å
335	A	98.4	Very high	96.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-44.7	173.6	0	0	0	0	0	111.8	I330 S331 Y332 I338 L339 L364 V375	I330-A335 HydrophobicContact CD1-CB 3.92Å; S331-A335 PolarHBondContact O-N 2.91Å; Y332-A335 WeakPolarHBondContact O-CA 3.25Å; Y332-A335 WeakPolarHBondContact O-CB 3.15Å; Y332-A335 PolarHBondContact O-N 2.75Å; Y332-A335 VanDerWaalsContact O-N 3.11Å; A335-I338 PolarHBondContact O-N 2.84Å; A335-L339 VanDerWaalsContact O-CG 3.27Å; A335-L339 WeakPolarHBondContact O-CG 3.02Å; A335-L339 PolarHBondContact O-N 3.05Å; A335-L364 HydrophobicContact CB-CD1 3.72Å; A335-L364 HydrophobicContact CB-CD2 3.81Å; A335-L364 HydrophobicContact CB-CG 4.44Å; A335-V375 HydrophobicContact CB-CG1 4.22Å
336	I	98	Very high	96.5	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-43.9	174.4	-65.4	-49.6	0	0	0	111.3	Y332 T333 I338 L339 H340 T350 L356	Y332-I336 HydrophobicContact CD1-CG1 4.04Å; Y332-I336 HydrophobicContact CE1-CD1 4.2Å; Y332-I336 HydrophobicContact CE1-CG1 3.52Å; Y332-I336 HydrophobicContact CE2-CD1 4.04Å; Y332-I336 HydrophobicContact CE2-CG1 4.16Å; Y332-I336 WeakPolarHBondContact O-CG1 3.29Å; Y332-I336 PolarHBondContact O-N 3.03Å; T333-I336 PolarHBondContact O-N 3.45Å; I336-I338 VanDerWaalsContact C-N 3.31Å; I336-I338 PolarHBondContact O-N 2.82Å; I336-L339 HydrophobicContact CD1-CD1 4.19Å; I336-L339 PolarHBondContact O-N 2.91Å; I336-H340 VanDerWaalsContact CG2-CE1 3.43Å; I336-H340 WeakPolarHBondContact CG2-CE1 3.29Å; I336-H340 PolarHBondContact O-N 2.91Å; I336-T350 VanDerWaalsContact CG2-O 3.29Å; I336-T350 WeakPolarHBondContact CG2-O 3.06Å; I336-L356 HydrophobicContact CD1-CD2 3.91Å
337	D	97.6	Very high	96.6	Very high	68 Å²	68	62.4 Å²	62.4	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-40.2	175.4	-84	-4.7	0	0	0	112.7	T333 E334 R341	T333-D337 PolarHBondContact O-N 3.31Å; E334-D337 WeakPolarHBondContact O-CB 3.48Å; E334-D337 PolarHBondContact O-N 2.81Å; D337-R341 WeakPolarHBondContact O-CB 3.32Å; D337-R341 VanDerWaalsContact O-CG 3.22Å; D337-R341 WeakPolarHBondContact O-CG 3.19Å; D337-R341 PolarHBondContact O-N 2.52Å; D337-R341 VanDerWaalsContact O-N 3.08Å; D337-R341 IonicContact OD2-NH2 2.96Å
338	I	98.1	Very high	96.4	Very high	27 Å²	27	66.8 Å²	66.8	14%	0.138	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-44	175.6	-72.8	163.4	0	0	0	110.6	I330 E334 A335 I336 R341 S342 Y363 L364 H367	I330-I338 HydrophobicContact CD1-CD1 4.17Å; E334-I338 VanDerWaalsContact O-CG1 3.26Å; E334-I338 WeakPolarHBondContact O-CG1 3.38Å; E334-I338 PolarHBondContact O-N 2.9Å; A335-I338 PolarHBondContact O-N 2.84Å; I336-I338 VanDerWaalsContact C-N 3.31Å; I336-I338 PolarHBondContact O-N 2.82Å; I338-R341 PolarHBondContact O-N 2.83Å; I338-S342 PolarHBondContact O-N 3.09Å; I338-Y363 HydrophobicContact CG2-CD1 4.35Å; I338-Y363 HydrophobicContact CG2-CE1 3.79Å; I338-L364 HydrophobicContact CB-CD2 4.05Å; I338-L364 HydrophobicContact CD1-CD2 4.4Å; I338-L364 HydrophobicContact CG2-CD2 3.79Å; I338-H367 HydrophobicContact CG2-CB 4.23Å
339	L	97.7	Very high	96.2	Very high	3 Å²	3	68.1 Å²	68.1	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-65.3	-44	179.1	-67.5	165.4	0	0	0	111.6	A335 I336 R341 S342 F346 T350 L356 H360 Y363 L364	A335-L339 VanDerWaalsContact O-CG 3.27Å; A335-L339 WeakPolarHBondContact O-CG 3.02Å; A335-L339 PolarHBondContact O-N 3.05Å; I336-L339 HydrophobicContact CD1-CD1 4.19Å; I336-L339 PolarHBondContact O-N 2.91Å; L339-R341 VanDerWaalsContact C-N 3.33Å; L339-R341 PolarHBondContact O-N 2.8Å; L339-S342 WeakPolarHBondContact O-CB 3.42Å; L339-S342 PolarHBondContact O-N 2.84Å; L339-S342 VanDerWaalsContact O-N 3.11Å; L339-F346 HydrophobicContact CB-CE2 4.31Å; L339-F346 HydrophobicContact CD2-CE1 4.16Å; L339-F346 HydrophobicContact CD2-CE2 3.91Å; L339-F346 HydrophobicContact CD2-CZ 3.58Å; L339-T350 HydrophobicContact CB-CG2 3.99Å; L339-T350 HydrophobicContact CD1-CG2 4.22Å; L339-L356 HydrophobicContact CD1-CD2 3.81Å; L339-H360 HydrophobicContact CD1-CB 3.8Å; L339-H360 HydrophobicContact CD2-CB 3.93Å; L339-Y363 HydrophobicContact CD2-CD1 3.67Å; L339-Y363 HydrophobicContact CD2-CE1 4.47Å; L339-Y363 HydrophobicContact CD2-CG 4.27Å; L339-L364 HydrophobicContact CD2-CD2 4.5Å; L339-L364 HydrophobicContact CD2-CG 4.37Å; L339-L364 HydrophobicContact CG-CD2 4.26Å
340	H	95.8	Very high	96	Very high	93 Å²	93	65.3 Å²	65.3	43%	0.431	33%	0.332	S	S	.	.	H	α-helix	trans	-65.5	-32.7	177.5	-74.5	155.5	0	0	0	113.8	I336 S342 T350	I336-H340 VanDerWaalsContact CG2-CE1 3.43Å; I336-H340 WeakPolarHBondContact CG2-CE1 3.29Å; I336-H340 PolarHBondContact O-N 2.91Å; H340-S342 PolarHBondContact O-N 2.98Å; H340-T350 PolarHBondContact CD2-OG1 2.8Å; H340-T350 PolarHBondContact CE1-O 2.97Å; H340-T350 PolarHBondContact NE2-O 2.91Å; H340-T350 VanDerWaalsContact NE2-O 3.09Å; H340-T350 PolarHBondContact NE2-OG1 2.96Å
341	R	95.8	Very high	95.9	Very high	200 Å²	200	69 Å²	69	76%	0.755	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.8	175.6	-69.1	173.5	-166.3	174.8	10.3	112.9	D337 I338 L339	D337-R341 WeakPolarHBondContact O-CB 3.32Å; D337-R341 VanDerWaalsContact O-CG 3.22Å; D337-R341 WeakPolarHBondContact O-CG 3.19Å; D337-R341 PolarHBondContact O-N 2.52Å; D337-R341 VanDerWaalsContact O-N 3.08Å; D337-R341 IonicContact OD2-NH2 2.96Å; I338-R341 PolarHBondContact O-N 2.83Å; L339-R341 VanDerWaalsContact C-N 3.33Å; L339-R341 PolarHBondContact O-N 2.8Å
342	S	93.9	Very high	95.8	Very high	21 Å²	21	72.7 Å²	72.7	15%	0.147	36%	0.363	C	S	.	.			trans	-67.7	146.7	177.6	-172.6	0	0	0	0	111.6	I338 L339 H340 E344 Y363	I338-S342 PolarHBondContact O-N 3.09Å; L339-S342 WeakPolarHBondContact O-CB 3.42Å; L339-S342 PolarHBondContact O-N 2.84Å; L339-S342 VanDerWaalsContact O-N 3.11Å; H340-S342 PolarHBondContact O-N 2.98Å; S342-E344 VanDerWaalsContact C-N 3.33Å; S342-E344 WeakPolarHBondContact OG-CB 3.21Å; S342-E344 PolarHBondContact OG-N 2.91Å; S342-Y363 VanDerWaalsContact CB-CZ 3.49Å; S342-Y363 VanDerWaalsContact CB-OH 3.29Å; S342-Y363 WeakPolarHBondContact CB-OH 3.35Å; S342-Y363 WeakPolarHBondContact OG-CE2 3.47Å; S342-Y363 PolarHBondContact OG-OH 3.39Å
343	S	92.6	Very high	95.6	Very high	124 Å²	124	74 Å²	74	87%	0.867	38%	0.377	S	S	*	.			trans	-87.2	-3.8	165.7	62.8	0	0	0	0	113.1
344	E	92.4	Very high	95.4	Very high	84 Å²	84	73.8 Å²	73.8	39%	0.393	38%	0.376	S	S	.	.	S	Bend	trans	-71.5	146.1	177.7	-64.9	-164.3	-173.9	0	0	110.7	S342 F346 Y363 K366	S342-E344 VanDerWaalsContact C-N 3.33Å; S342-E344 WeakPolarHBondContact OG-CB 3.21Å; S342-E344 PolarHBondContact OG-N 2.91Å; E344-F346 HydrophobicContact CB-CE1 4.35Å; E344-F346 HydrophobicContact CB-CZ 4.1Å; E344-Y363 HydrophobicContact CB-CE2 4.42Å; E344-Y363 HydrophobicContact CG-CD2 4.11Å; E344-Y363 HydrophobicContact CG-CE2 3.85Å; E344-Y363 WeakPolarHBondContact OE2-CD2 3.41Å; E344-K366 IonicContact OE1-NZ 3.44Å; E344-K366 PolarHBondContact OE1-NZ 2.9Å
345	K	92.3	Very high	95.2	Very high	204 Å²	204	73.5 Å²	73.5	89%	0.887	38%	0.378	S	S	*	.			trans	-96.5	110.3	175.7	-67.8	-175.1	178.7	-176.1	0	108.8
346	F	95.5	Very high	95.1	Very high	41 Å²	41	74 Å²	74	18%	0.18	38%	0.38	C	S	.	.			trans	-85.1	148	174.6	-56.8	-68.3	0	0	0	111	L339 E344 T350 E359 H360 Y363	L339-F346 HydrophobicContact CB-CE2 4.31Å; L339-F346 HydrophobicContact CD2-CE1 4.16Å; L339-F346 HydrophobicContact CD2-CE2 3.91Å; L339-F346 HydrophobicContact CD2-CZ 3.58Å; E344-F346 HydrophobicContact CB-CE1 4.35Å; E344-F346 HydrophobicContact CB-CZ 4.1Å; F346-T350 HydrophobicContact CB-CG2 4.35Å; F346-T350 HydrophobicContact CD2-CG2 3.76Å; F346-T350 HydrophobicContact CE2-CG2 4.38Å; F346-T350 HydrophobicContact CG-CG2 4.19Å; F346-E359 HydrophobicContact CD1-CG 4Å; F346-H360 AromaticContact CD1-CD2 3.63Å; F346-H360 AromaticContact CG-CD2 3.75Å; F346-H360 AromaticContact CG-NE2 3.93Å; F346-Y363 HydrophobicContact CE1-CD2 4.42Å; F346-Y363 HydrophobicContact CE1-CG 4.14Å; F346-Y363 HydrophobicContact CZ-CD1 4.1Å; F346-Y363 HydrophobicContact CZ-CD2 4.08Å; F346-Y363 AromaticContact CZ-CG 3.8Å; F346-Y363 HydrophobicContact CZ-CG 3.8Å
347	T	95.4	Very high	95	Very high	119 Å²	119	77 Å²	77	73%	0.73	40%	0.395	S	S	*	.	S	Bend	trans	-79.4	-37.8	175.9	-50	0	0	0	0	110.8	E359	T347-E359 WeakPolarHBondContact CA-OE1 3.48Å; T347-E359 VanDerWaalsContact CB-OE1 3.3Å; T347-E359 WeakPolarHBondContact CB-OE1 3.4Å; T347-E359 VanDerWaalsContact N-CD 3.29Å; T347-E359 PolarHBondContact N-OE1 2.87Å; T347-E359 PolarHBondContact N-OE2 2.82Å; T347-E359 VanDerWaalsContact N-OE2 3.11Å; T347-E359 PolarHBondContact OG1-OE2 2.88Å
348	F	94.3	Very high	94.8	Very high	102 Å²	102	75.5 Å²	75.5	45%	0.447	39%	0.389	S	S	.	.	S	Bend	trans	-95.3	153.9	179.9	-63.6	-73.9	0	0	0	111.7	M357 E359 H360	F348-M357 HydrophobicContact CB-CB 4.16Å; F348-M357 HydrophobicContact CB-CG 3.66Å; F348-M357 HydrophobicContact CD1-CG 4.07Å; F348-M357 HydrophobicContact CD2-CB 3.62Å; F348-M357 HydrophobicContact CD2-CE 4.47Å; F348-M357 HydrophobicContact CD2-CG 3.65Å; F348-M357 HydrophobicContact CE1-CE 4.33Å; F348-M357 HydrophobicContact CE2-CB 4.28Å; F348-M357 HydrophobicContact CE2-CE 4.23Å; F348-M357 HydrophobicContact CE2-CG 4.33Å; F348-M357 HydrophobicContact CG-CB 4.01Å; F348-M357 HydrophobicContact CG-CG 3.52Å; F348-M357 HydrophobicContact CZ-CE 4.16Å; F348-E359 HydrophobicContact CD2-CG 4.42Å; F348-E359 WeakPolarHBondContact CD2-OE1 3.32Å; F348-E359 PolarHBondContact N-OE1 3.04Å; F348-H360 PolarHBondContact O-NE2 3.13Å
349	P	93.9	Very high	94.6	Very high	69 Å²	69	76.8 Å²	76.8	45%	0.448	39%	0.394	S	S	.	.			trans	-64.5	147.6	178.7	27.3	-34.6	0	0	0	111.3	C354 H360	P349-C354 HydrophobicContact CG-CB 4.43Å; P349-H360 PolarHBondContact O-CE1 3.4Å; P349-H360 VanDerWaalsContact O-CE1 3.23Å
350	T	94.2	Very high	94.6	Very high	24 Å²	24	76.7 Å²	76.7	15%	0.147	39%	0.394	C	S	.	.			trans	-113.2	14.5	178.6	48.1	0	0	0	0	111.9	I336 L339 H340 F346 H360	I336-T350 VanDerWaalsContact CG2-O 3.29Å; I336-T350 WeakPolarHBondContact CG2-O 3.06Å; L339-T350 HydrophobicContact CB-CG2 3.99Å; L339-T350 HydrophobicContact CD1-CG2 4.22Å; H340-T350 PolarHBondContact CD2-OG1 2.8Å; H340-T350 PolarHBondContact CE1-O 2.97Å; H340-T350 PolarHBondContact NE2-O 2.91Å; H340-T350 VanDerWaalsContact NE2-O 3.09Å; H340-T350 PolarHBondContact NE2-OG1 2.96Å; F346-T350 HydrophobicContact CB-CG2 4.35Å; F346-T350 HydrophobicContact CD2-CG2 3.76Å; F346-T350 HydrophobicContact CE2-CG2 4.38Å; F346-T350 HydrophobicContact CG-CG2 4.19Å; T350-H360 WeakPolarHBondContact CG2-NE2 3.49Å
351	D	94.9	Very high	94.7	Very high	98 Å²	98	73.1 Å²	73.1	52%	0.524	38%	0.377	S	S	.	.			trans	-66	147.1	178.7	-59	-72.1	0	0	0	111.6	G353 C354	D351-G353 PolarHBondContact O-N 2.75Å; D351-C354 WeakPolarHBondContact O-CB 3.15Å; D351-C354 PolarHBondContact O-N 3.19Å
352	W	96.6	Very high	94.7	Very high	102 Å²	102	67.4 Å²	67.4	39%	0.386	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	129.9	175.7	-168	101.7	0	0	0	110.1	Y332 T333 P379 M395 T397	Y332-W352 AromaticContact CD1-NE1 3.74Å; Y332-W352 AromaticContact CE1-CD1 3.64Å; Y332-W352 HydrophobicContact CE1-CD2 4.23Å; Y332-W352 AromaticContact CE1-CG 3.98Å; Y332-W352 HydrophobicContact CE1-CG 3.98Å; Y332-W352 AromaticContact CE1-NE1 3.69Å; T333-W352 PolarHBondContact OG1-NE1 3.17Å; W352-P379 HydrophobicContact CH2-CB 3.72Å; W352-P379 HydrophobicContact CH2-CG 3.92Å; W352-P379 HydrophobicContact CZ2-CB 4.16Å; W352-P379 HydrophobicContact CZ2-CG 3.92Å; W352-P379 HydrophobicContact CZ3-CB 4.14Å; W352-P379 HydrophobicContact CZ3-CG 4.3Å; W352-M395 WeakPolarHBondContact CH2-O 3.43Å; W352-M395 HydrophobicContact CZ2-CB 4.33Å; W352-M395 WeakPolarHBondContact CZ2-O 3.34Å; W352-T397 HydrophobicContact CZ2-CG2 4.25Å
353	G	94.1	Very high	94.8	Very high	29 Å²	29	68 Å²	68	30%	0.299	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-9.9	-173.6	0	0	0	0	0	113.9	Y332 D351	Y332-G353 PolarHBondContact OH-N 3.31Å; D351-G353 PolarHBondContact O-N 2.75Å
354	C	94.4	Very high	95.1	Very high	39 Å²	39	62 Å²	62	26%	0.264	32%	0.315	S	S	.	.	S	Bend	trans	-84.5	144.8	168.9	-65.9	0	0	0	0	111.6	Y332 P349 D351	Y332-C354 PolarHBondContact OH-N 2.8Å; Y332-C354 PolarHBondContact OH-O 3.09Å; P349-C354 HydrophobicContact CG-CB 4.43Å; D351-C354 WeakPolarHBondContact O-CB 3.15Å; D351-C354 PolarHBondContact O-N 3.19Å
355	D	94.4	Very high	95.3	Very high	92 Å²	92	58.1 Å²	58.1	49%	0.492	30%	0.297	S	S	.	.			trans	-68.9	150.4	176	-164.6	18.6	0	0	0	112.1	M357 L382	D355-M357 PolarHBondContact O-N 3.31Å; D355-L382 HydrophobicContact CB-CD1 4.41Å
356	L	96.4	Very high	95.5	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	28%	0.281	C	S	.	.			trans	-81.7	100.2	-179.9	-66.8	-178	0	0	0	110.4	Y332 I336 L339 H360 E361 L364 V375 Y378	Y332-L356 HydrophobicContact CD2-CD1 4.32Å; Y332-L356 HydrophobicContact CD2-CG 4.33Å; Y332-L356 HydrophobicContact CE2-CD2 4.28Å; Y332-L356 HydrophobicContact CE2-CG 4.1Å; I336-L356 HydrophobicContact CD1-CD2 3.91Å; L339-L356 HydrophobicContact CD1-CD2 3.81Å; L356-H360 HydrophobicContact CD2-CB 4.12Å; L356-E361 HydrophobicContact CB-CG 4.41Å; L356-L364 HydrophobicContact CD1-CD1 3.99Å; L356-V375 HydrophobicContact CD1-CG1 4.21Å; L356-Y378 HydrophobicContact CD1-CE1 4.17Å; L356-Y378 HydrophobicContact CG-CE1 4.45Å
357	M	95.1	Very high	95.6	Very high	69 Å²	69	57.4 Å²	57.4	34%	0.34	30%	0.296	S	S	.	.			trans	-69.1	158.9	172.9	-55.6	-54.2	-66.9	0	0	111.7	F348 D355 E359 H360 E361	F348-M357 HydrophobicContact CB-CB 4.16Å; F348-M357 HydrophobicContact CB-CG 3.66Å; F348-M357 HydrophobicContact CD1-CG 4.07Å; F348-M357 HydrophobicContact CD2-CB 3.62Å; F348-M357 HydrophobicContact CD2-CE 4.47Å; F348-M357 HydrophobicContact CD2-CG 3.65Å; F348-M357 HydrophobicContact CE1-CE 4.33Å; F348-M357 HydrophobicContact CE2-CB 4.28Å; F348-M357 HydrophobicContact CE2-CE 4.23Å; F348-M357 HydrophobicContact CE2-CG 4.33Å; F348-M357 HydrophobicContact CG-CB 4.01Å; F348-M357 HydrophobicContact CG-CG 3.52Å; F348-M357 HydrophobicContact CZ-CE 4.16Å; D355-M357 PolarHBondContact O-N 3.31Å; M357-E359 PolarHBondContact O-N 3.29Å; M357-H360 PolarHBondContact N-ND1 3.29Å; M357-H360 WeakPolarHBondContact O-CA 3.33Å; M357-H360 VanDerWaalsContact O-CB 3.25Å; M357-H360 WeakPolarHBondContact O-CB 3.37Å; M357-H360 PolarHBondContact O-N 3.18Å; M357-E361 PolarHBondContact O-N 2.88Å; M357-E361 VanDerWaalsContact O-N 3.16Å
358	T	92.7	Very high	95.6	Very high	37 Å²	37	53 Å²	53	23%	0.227	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-24.7	-172.4	-44.2	0	0	0	0	115.2	R260 H360 E361 K362	R260-T358 PolarHBondContact NH1-OG1 3.39Å; T358-H360 VanDerWaalsContact C-N 3.32Å; T358-E361 WeakPolarHBondContact CA-OE2 3.27Å; T358-K362 HydrophobicContact CG2-CD 4.11Å; T358-K362 HydrophobicContact CG2-CG 4.14Å; T358-K362 WeakPolarHBondContact O-CB 3.22Å; T358-K362 VanDerWaalsContact O-CG 3.25Å; T358-K362 WeakPolarHBondContact O-CG 3.28Å; T358-K362 PolarHBondContact O-N 2.76Å; T358-K362 VanDerWaalsContact O-N 3.07Å
359	E	94.8	Very high	95.7	Very high	54 Å²	54	50.3 Å²	50.3	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-37.4	173.2	66.8	-179.6	153	0	0	111.8	F346 T347 F348 M357 Y363	F346-E359 HydrophobicContact CD1-CG 4Å; T347-E359 WeakPolarHBondContact CA-OE1 3.48Å; T347-E359 VanDerWaalsContact CB-OE1 3.3Å; T347-E359 WeakPolarHBondContact CB-OE1 3.4Å; T347-E359 VanDerWaalsContact N-CD 3.29Å; T347-E359 PolarHBondContact N-OE1 2.87Å; T347-E359 PolarHBondContact N-OE2 2.82Å; T347-E359 VanDerWaalsContact N-OE2 3.11Å; T347-E359 PolarHBondContact OG1-OE2 2.88Å; F348-E359 HydrophobicContact CD2-CG 4.42Å; F348-E359 WeakPolarHBondContact CD2-OE1 3.32Å; F348-E359 PolarHBondContact N-OE1 3.04Å; M357-E359 PolarHBondContact O-N 3.29Å; E359-Y363 WeakPolarHBondContact O-CB 3.26Å; E359-Y363 PolarHBondContact O-N 2.9Å; E359-Y363 VanDerWaalsContact O-N 3.11Å
360	H	97.4	Very high	95.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-48.8	174.7	-50.8	153.2	0	0	0	110.3	L339 F346 F348 P349 T350 L356 M357 T358 K362 Y363 L364	L339-H360 HydrophobicContact CD1-CB 3.8Å; L339-H360 HydrophobicContact CD2-CB 3.93Å; F346-H360 AromaticContact CD1-CD2 3.63Å; F346-H360 AromaticContact CG-CD2 3.75Å; F346-H360 AromaticContact CG-NE2 3.93Å; F348-H360 PolarHBondContact O-NE2 3.13Å; P349-H360 PolarHBondContact O-CE1 3.4Å; P349-H360 VanDerWaalsContact O-CE1 3.23Å; T350-H360 WeakPolarHBondContact CG2-NE2 3.49Å; L356-H360 HydrophobicContact CD2-CB 4.12Å; M357-H360 PolarHBondContact N-ND1 3.29Å; M357-H360 WeakPolarHBondContact O-CA 3.33Å; M357-H360 VanDerWaalsContact O-CB 3.25Å; M357-H360 WeakPolarHBondContact O-CB 3.37Å; M357-H360 PolarHBondContact O-N 3.18Å; T358-H360 VanDerWaalsContact C-N 3.32Å; H360-K362 VanDerWaalsContact C-N 3.33Å; H360-K362 PolarHBondContact O-N 3.17Å; H360-Y363 WeakPolarHBondContact O-CB 3.12Å; H360-Y363 PolarHBondContact O-N 3.19Å; H360-Y363 VanDerWaalsContact O-N 3.13Å; H360-L364 WeakPolarHBondContact O-CG 3.37Å; H360-L364 PolarHBondContact O-N 3.03Å
361	E	97.4	Very high	95.8	Very high	17 Å²	17	49.5 Å²	49.5	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-46.5	179.8	-60.3	176.8	142.2	0	0	112.1	L356 M357 T358 Y363 L364 V365 L404 G409 E410	L356-E361 HydrophobicContact CB-CG 4.41Å; M357-E361 PolarHBondContact O-N 2.88Å; M357-E361 VanDerWaalsContact O-N 3.16Å; T358-E361 WeakPolarHBondContact CA-OE2 3.27Å; E361-Y363 VanDerWaalsContact C-N 3.31Å; E361-Y363 PolarHBondContact O-N 3.42Å; E361-L364 PolarHBondContact O-N 3.2Å; E361-V365 WeakPolarHBondContact O-CG2 3.42Å; E361-V365 PolarHBondContact O-N 2.71Å; E361-L404 HydrophobicContact CB-CD1 3.98Å; E361-L404 HydrophobicContact CB-CD2 4.15Å; E361-L404 HydrophobicContact CG-CD1 4.21Å; E361-L404 HydrophobicContact CG-CD2 3.9Å; E361-G409 WeakPolarHBondContact OE2-CA 3.47Å; E361-E410 WeakPolarHBondContact OE1-CB 3.47Å; E361-E410 PolarHBondContact OE2-N 3.1Å
362	K	95.4	Very high	96	Very high	80 Å²	80	44.8 Å²	44.8	35%	0.348	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-38.9	178.6	-75.9	-179.3	172.9	-141.7	0	112	R260 T358 H360 K366 G407	R260-K362 VanDerWaalsContact NH2-CE 3.33Å; T358-K362 HydrophobicContact CG2-CD 4.11Å; T358-K362 HydrophobicContact CG2-CG 4.14Å; T358-K362 WeakPolarHBondContact O-CB 3.22Å; T358-K362 VanDerWaalsContact O-CG 3.25Å; T358-K362 WeakPolarHBondContact O-CG 3.28Å; T358-K362 PolarHBondContact O-N 2.76Å; T358-K362 VanDerWaalsContact O-N 3.07Å; H360-K362 VanDerWaalsContact C-N 3.33Å; H360-K362 PolarHBondContact O-N 3.17Å; K362-K366 WeakPolarHBondContact O-CB 3.27Å; K362-K366 PolarHBondContact O-N 3.45Å; K362-K366 VanDerWaalsContact O-N 3.09Å; K362-G407 WeakPolarHBondContact CE-O 3.27Å; K362-G407 PolarHBondContact NZ-O 2.72Å
363	Y	97.4	Very high	96.1	Very high	33 Å²	33	40 Å²	40	13%	0.129	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-47.4	175.5	-180	-92.5	0	0	0	111.2	I338 L339 S342 E344 F346 E359 H360 E361 V365 K366 H367	I338-Y363 HydrophobicContact CG2-CD1 4.35Å; I338-Y363 HydrophobicContact CG2-CE1 3.79Å; L339-Y363 HydrophobicContact CD2-CD1 3.67Å; L339-Y363 HydrophobicContact CD2-CE1 4.47Å; L339-Y363 HydrophobicContact CD2-CG 4.27Å; S342-Y363 VanDerWaalsContact CB-CZ 3.49Å; S342-Y363 VanDerWaalsContact CB-OH 3.29Å; S342-Y363 WeakPolarHBondContact CB-OH 3.35Å; S342-Y363 WeakPolarHBondContact OG-CE2 3.47Å; S342-Y363 PolarHBondContact OG-OH 3.39Å; E344-Y363 HydrophobicContact CB-CE2 4.42Å; E344-Y363 HydrophobicContact CG-CD2 4.11Å; E344-Y363 HydrophobicContact CG-CE2 3.85Å; E344-Y363 WeakPolarHBondContact OE2-CD2 3.41Å; F346-Y363 HydrophobicContact CE1-CD2 4.42Å; F346-Y363 HydrophobicContact CE1-CG 4.14Å; F346-Y363 HydrophobicContact CZ-CD1 4.1Å; F346-Y363 HydrophobicContact CZ-CD2 4.08Å; F346-Y363 AromaticContact CZ-CG 3.8Å; F346-Y363 HydrophobicContact CZ-CG 3.8Å; E359-Y363 WeakPolarHBondContact O-CB 3.26Å; E359-Y363 PolarHBondContact O-N 2.9Å; E359-Y363 VanDerWaalsContact O-N 3.11Å; H360-Y363 WeakPolarHBondContact O-CB 3.12Å; H360-Y363 PolarHBondContact O-N 3.19Å; H360-Y363 VanDerWaalsContact O-N 3.13Å; E361-Y363 VanDerWaalsContact C-N 3.31Å; E361-Y363 PolarHBondContact O-N 3.42Å; Y363-V365 PolarHBondContact O-N 3.32Å; Y363-K366 WeakPolarHBondContact O-CB 3.44Å; Y363-K366 PolarHBondContact O-N 3.07Å; Y363-H367 HydrophobicContact CE1-CB 4.25Å; Y363-H367 WeakPolarHBondContact O-CB 3.32Å; Y363-H367 PolarHBondContact O-N 3.43Å
364	L	98.3	Very high	96.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-46.1	179.3	-69.7	168.5	0	0	0	111.9	I330 A335 I338 L339 L356 H360 E361 K366 H367 C368 L404	I330-L364 HydrophobicContact CD1-CD2 4.21Å; A335-L364 HydrophobicContact CB-CD1 3.72Å; A335-L364 HydrophobicContact CB-CD2 3.81Å; A335-L364 HydrophobicContact CB-CG 4.44Å; I338-L364 HydrophobicContact CB-CD2 4.05Å; I338-L364 HydrophobicContact CD1-CD2 4.4Å; I338-L364 HydrophobicContact CG2-CD2 3.79Å; L339-L364 HydrophobicContact CD2-CD2 4.5Å; L339-L364 HydrophobicContact CD2-CG 4.37Å; L339-L364 HydrophobicContact CG-CD2 4.26Å; L356-L364 HydrophobicContact CD1-CD1 3.99Å; H360-L364 WeakPolarHBondContact O-CG 3.37Å; H360-L364 PolarHBondContact O-N 3.03Å; E361-L364 PolarHBondContact O-N 3.2Å; L364-K366 PolarHBondContact O-N 3.35Å; L364-H367 WeakPolarHBondContact O-CB 3.36Å; L364-H367 PolarHBondContact O-N 2.91Å; L364-C368 WeakPolarHBondContact O-CB 3.5Å; L364-C368 PolarHBondContact O-N 3.13Å; L364-C368 PolarHBondContact O-SG 3.2Å; L364-L404 HydrophobicContact CB-CD1 4.36Å; L364-L404 HydrophobicContact CD1-CD1 4.18Å
365	V	97.6	Very high	96.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-45.6	175.8	170.2	0	0	0	0	111.4	E361 Y363 C368 N370 L404 P406	E361-V365 WeakPolarHBondContact O-CG2 3.42Å; E361-V365 PolarHBondContact O-N 2.71Å; Y363-V365 PolarHBondContact O-N 3.32Å; V365-C368 PolarHBondContact O-N 3.11Å; V365-N370 VanDerWaalsContact O-CA 3.25Å; V365-N370 WeakPolarHBondContact O-CA 3.44Å; V365-N370 PolarHBondContact O-N 3.13Å; V365-L404 HydrophobicContact CG2-CB 3.52Å; V365-P406 HydrophobicContact CG1-CB 4.17Å; V365-P406 HydrophobicContact CG1-CG 3.74Å
366	K	96.3	Very high	96.7	Very high	126 Å²	126	33 Å²	33	55%	0.548	17%	0.171	S	C	.	.	H	α-helix	trans	-62.6	-43.8	177.2	179.9	-174.5	170.4	-163.8	0	111.4	E344 K362 Y363 L364 C368 G369	E344-K366 IonicContact OE1-NZ 3.44Å; E344-K366 PolarHBondContact OE1-NZ 2.9Å; K362-K366 WeakPolarHBondContact O-CB 3.27Å; K362-K366 PolarHBondContact O-N 3.45Å; K362-K366 VanDerWaalsContact O-N 3.09Å; Y363-K366 WeakPolarHBondContact O-CB 3.44Å; Y363-K366 PolarHBondContact O-N 3.07Å; L364-K366 PolarHBondContact O-N 3.35Å; K366-C368 VanDerWaalsContact C-N 3.31Å; K366-C368 PolarHBondContact O-N 3.03Å; K366-G369 PolarHBondContact O-N 3.07Å
367	H	96.6	Very high	96.8	Very high	104 Å²	104	35 Å²	35	48%	0.481	18%	0.182	S	C	.	.	H	α-helix	trans	-59.8	-42.1	178.1	-176.8	93.7	0	0	0	111.4	I338 Y363 L364 G369	I338-H367 HydrophobicContact CG2-CB 4.23Å; Y363-H367 HydrophobicContact CE1-CB 4.25Å; Y363-H367 WeakPolarHBondContact O-CB 3.32Å; Y363-H367 PolarHBondContact O-N 3.43Å; L364-H367 WeakPolarHBondContact O-CB 3.36Å; L364-H367 PolarHBondContact O-N 2.91Å; H367-G369 PolarHBondContact O-N 2.97Å; H367-G369 VanDerWaalsContact O-N 3.09Å
368	C	96.3	Very high	96.9	Very high	27 Å²	27	31.7 Å²	31.7	18%	0.182	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	19.3	-179.7	-61.7	0	0	0	0	114	P328 L364 V365 K366 V371 V373	P328-C368 HydrophobicContact CG-CB 4.2Å; L364-C368 WeakPolarHBondContact O-CB 3.5Å; L364-C368 PolarHBondContact O-N 3.13Å; L364-C368 PolarHBondContact O-SG 3.2Å; V365-C368 PolarHBondContact O-N 3.11Å; K366-C368 VanDerWaalsContact C-N 3.31Å; K366-C368 PolarHBondContact O-N 3.03Å; C368-V371 WeakPolarHBondContact O-CG2 3.49Å; C368-V373 HydrophobicContact CB-CG2 3.31Å
369	G	94.8	Very high	97.2	Very high	45 Å²	45	30.2 Å²	30.2	46%	0.464	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	19.9	175.1	0	0	0	0	0	115.1	K366 H367 V371	K366-G369 PolarHBondContact O-N 3.07Å; H367-G369 PolarHBondContact O-N 2.97Å; H367-G369 VanDerWaalsContact O-N 3.09Å; G369-V371 VanDerWaalsContact C-N 3.33Å; G369-V371 PolarHBondContact O-N 3.21Å
370	N	95.1	Very high	97.2	Very high	71 Å²	71	28.4 Å²	28.4	38%	0.38	15%	0.148	S	C	.	.	S	Bend	trans	57.8	42.5	177.1	-163.5	53.5	0	0	0	113.3	V365 P406	V365-N370 VanDerWaalsContact O-CA 3.25Å; V365-N370 WeakPolarHBondContact O-CA 3.44Å; V365-N370 PolarHBondContact O-N 3.13Å; N370-P406 WeakPolarHBondContact O-CG 3.4Å
371	V	96.3	Very high	97	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	18%	0.182	C	C	.	.	S	Bend	trans	-123.3	165.4	172.1	-66.2	0	0	0	0	109.2	A321 K325 P328 C368 G369 V373	A321-V371 HydrophobicContact CB-CG1 4.49Å; K325-V371 HydrophobicContact CB-CG1 4.1Å; K325-V371 HydrophobicContact CD-CG1 3.65Å; K325-V371 HydrophobicContact CG-CG1 4.49Å; P328-V371 HydrophobicContact CG-CG2 4.27Å; C368-V371 WeakPolarHBondContact O-CG2 3.49Å; G369-V371 VanDerWaalsContact C-N 3.33Å; G369-V371 PolarHBondContact O-N 3.21Å; V371-V373 WeakPolarHBondContact O-CG2 3.37Å
372	P	98.3	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.			trans	-57.1	140.3	174.5	-27.4	36.9	0	0	0	112.1	M322 F327 P328 L403 L404 V405	M322-P372 HydrophobicContact CB-CG 4.2Å; M322-P372 HydrophobicContact CG-CG 4.07Å; M322-P372 HydrophobicContact SD-CG 3.78Å; F327-P372 WeakPolarHBondContact CA-O 3.33Å; F327-P372 WeakPolarHBondContact CB-O 3.31Å; F327-P372 HydrophobicContact CD1-CB 3.71Å; F327-P372 HydrophobicContact CD1-CG 3.99Å; F327-P372 HydrophobicContact CD2-CB 3.83Å; F327-P372 HydrophobicContact CE1-CB 3.69Å; F327-P372 HydrophobicContact CE1-CG 3.49Å; F327-P372 VanDerWaalsContact CE1-CG 3.49Å; F327-P372 HydrophobicContact CE2-CB 3.8Å; F327-P372 HydrophobicContact CE2-CG 4.11Å; F327-P372 HydrophobicContact CG-CB 3.81Å; F327-P372 HydrophobicContact CZ-CB 3.75Å; F327-P372 HydrophobicContact CZ-CG 3.57Å; P328-P372 WeakPolarHBondContact CD-O 3.41Å; P372-L403 HydrophobicContact CB-CD1 3.7Å; P372-L403 HydrophobicContact CB-CG 4.44Å; P372-L404 CarbonylContact C-O 3.58Å; P372-L404 WeakPolarHBondContact CA-O 3.23Å; P372-V405 HydrophobicContact CB-CG1 4.05Å; P372-V405 HydrophobicContact CG-CG1 4.1Å
373	V	98.6	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.8	-177	-177.4	0	0	0	0	108.9	P328 I330 C368 V371 L404	P328-V373 HydrophobicContact CB-CG1 4.46Å; P328-V373 CarbonylContact O-C 3.46Å; P328-V373 WeakPolarHBondContact O-CA 3.37Å; I330-V373 HydrophobicContact CD1-CG1 3.99Å; I330-V373 HydrophobicContact CG1-CG1 3.93Å; C368-V373 HydrophobicContact CB-CG2 3.31Å; V371-V373 WeakPolarHBondContact O-CG2 3.37Å; V373-L404 PolarHBondContact N-O 2.89Å; V373-L404 PolarHBondContact O-N 2.88Å
374	F	98.8	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.2	167.6	-67.5	-74.9	0	0	0	109.8	T282 I285 E286 F327 P328 V329 I330 V401 D402 L403	T282-F374 HydrophobicContact CG2-CB 4.35Å; T282-F374 HydrophobicContact CG2-CD1 3.74Å; T282-F374 HydrophobicContact CG2-CD2 4.24Å; T282-F374 HydrophobicContact CG2-CE1 3.98Å; T282-F374 HydrophobicContact CG2-CE2 4.46Å; T282-F374 HydrophobicContact CG2-CG 3.86Å; T282-F374 HydrophobicContact CG2-CZ 4.34Å; T282-F374 VanDerWaalsContact O-CZ 3.26Å; T282-F374 WeakPolarHBondContact O-CZ 3.48Å; I285-F374 HydrophobicContact CB-CE1 4.04Å; I285-F374 HydrophobicContact CB-CZ 4.2Å; I285-F374 HydrophobicContact CD1-CE1 4.28Å; I285-F374 HydrophobicContact CG2-CE1 3.86Å; I285-F374 HydrophobicContact CG2-CZ 4.17Å; E286-F374 HydrophobicContact CB-CE2 4.3Å; E286-F374 HydrophobicContact CB-CZ 4.13Å; F327-F374 HydrophobicContact CB-CD2 3.87Å; F327-F374 HydrophobicContact CB-CE2 3.72Å; F327-F374 AromaticContact CD2-CE2 3.73Å; F327-F374 HydrophobicContact CD2-CE2 3.73Å; F327-F374 HydrophobicContact CD2-CZ 4.12Å; F327-F374 HydrophobicContact CG-CE2 4.25Å; P328-F374 PolarHBondContact O-N 3.43Å; V329-F374 WeakPolarHBondContact CA-O 3.24Å; V329-F374 HydrophobicContact CB-CB 4.39Å; V329-F374 HydrophobicContact CG1-CB 4.2Å; V329-F374 HydrophobicContact CG2-CB 4.12Å; V329-F374 HydrophobicContact CG2-CD2 4.04Å; V329-F374 HydrophobicContact CG2-CG 4.48Å; I330-F374 PolarHBondContact N-O 3.3Å; F374-V401 HydrophobicContact CB-CG2 4.1Å; F374-V401 HydrophobicContact CD1-CG2 3.65Å; F374-V401 HydrophobicContact CG-CG2 4.3Å; F374-D402 WeakPolarHBondContact CA-O 3.38Å; F374-L403 HydrophobicContact CD1-CB 3.99Å; F374-L403 HydrophobicContact CD1-CD1 3.83Å; F374-L403 HydrophobicContact CD1-CG 4.46Å; F374-L403 HydrophobicContact CD2-CD1 4.29Å; F374-L403 HydrophobicContact CE1-CB 3.85Å; F374-L403 HydrophobicContact CE1-CD1 3.71Å; F374-L403 HydrophobicContact CE1-CD2 4.31Å; F374-L403 HydrophobicContact CE1-CG 4.15Å; F374-L403 HydrophobicContact CE2-CD1 4.18Å; F374-L403 HydrophobicContact CG-CD1 4.13Å; F374-L403 HydrophobicContact CZ-CD1 3.89Å; F374-L403 HydrophobicContact CZ-CD2 4.46Å
375	V	98.8	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.7	167.2	-174.9	0	0	0	0	107.6	I330 A335 L356 Y378 V401 D402 L404	I330-V375 HydrophobicContact CD1-CG2 4.22Å; I330-V375 HydrophobicContact CG1-CG2 4.06Å; I330-V375 CarbonylContact O-C 3.42Å; I330-V375 VanDerWaalsContact O-CA 3.27Å; I330-V375 WeakPolarHBondContact O-CA 3.37Å; A335-V375 HydrophobicContact CB-CG1 4.22Å; L356-V375 HydrophobicContact CD1-CG1 4.21Å; V375-Y378 HydrophobicContact CB-CE2 4.01Å; V375-Y378 WeakPolarHBondContact CB-OH 3.25Å; V375-Y378 HydrophobicContact CG1-CE2 3.73Å; V375-Y378 WeakPolarHBondContact O-CE2 3.11Å; V375-V401 CarbonylContact O-C 3.52Å; V375-V401 VanDerWaalsContact O-CA 3.26Å; V375-V401 WeakPolarHBondContact O-CA 3.31Å; V375-D402 PolarHBondContact N-O 2.64Å; V375-D402 PolarHBondContact O-N 3.12Å; V375-L404 HydrophobicContact CG2-CD1 3.58Å; V375-L404 HydrophobicContact CG2-CG 4.06Å
376	T	98.6	Very high	96.1	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.7	-170.9	57.1	0	0	0	0	112.5	L278 V329 I330 S331 Y332 A400 V401	L278-T376 HydrophobicContact CD1-CG2 4.1Å; V329-T376 HydrophobicContact CG1-CG2 3.77Å; I330-T376 PolarHBondContact O-N 3.28Å; I330-T376 PolarHBondContact O-OG1 3.12Å; I330-T376 VanDerWaalsContact O-OG1 3.04Å; S331-T376 CarbonylContact C-O 3.51Å; S331-T376 VanDerWaalsContact CA-O 3.31Å; S331-T376 WeakPolarHBondContact CA-O 3.26Å; Y332-T376 PolarHBondContact N-O 3.06Å; T376-A400 CarbonylContact C-O 3.54Å; T376-A400 VanDerWaalsContact CA-O 3.27Å; T376-A400 WeakPolarHBondContact CA-O 3.21Å; T376-V401 HydrophobicContact CG2-CB 4.09Å; T376-V401 HydrophobicContact CG2-CG2 3.78Å
377	N	98.1	Very high	96.2	Very high	51 Å²	51	30.9 Å²	30.9	27%	0.273	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.4	57.7	172.2	-59.5	-32.7	0	0	0	113.5	L278 Y332 N390 T397 A398 A400	L278-N377 WeakPolarHBondContact CD1-OD1 3.44Å; Y332-N377 WeakPolarHBondContact CB-O 3.33Å; N377-N390 PolarHBondContact OD1-ND2 2.84Å; N377-T397 WeakPolarHBondContact O-CG2 3.36Å; N377-A398 VanDerWaalsContact CA-O 3.29Å; N377-A398 WeakPolarHBondContact CA-O 3.23Å; N377-A400 PolarHBondContact N-O 2.82Å
378	Y	98.3	Very high	96.2	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	155	177.4	-80	-107	0	0	0	111.8	Y332 L356 V375 Y380 K383 T397 A398 A400 D402	Y332-Y378 AromaticContact CD2-CD1 3.71Å; Y332-Y378 HydrophobicContact CD2-CD1 3.71Å; Y332-Y378 AromaticContact CD2-CE1 3.93Å; Y332-Y378 HydrophobicContact CD2-CE1 3.93Å; Y332-Y378 HydrophobicContact CD2-CG 4.28Å; Y332-Y378 HydrophobicContact CE2-CD1 4.28Å; Y332-Y378 HydrophobicContact CG-CD1 4.5Å; L356-Y378 HydrophobicContact CD1-CE1 4.17Å; L356-Y378 HydrophobicContact CG-CE1 4.45Å; V375-Y378 HydrophobicContact CB-CE2 4.01Å; V375-Y378 WeakPolarHBondContact CB-OH 3.25Å; V375-Y378 HydrophobicContact CG1-CE2 3.73Å; V375-Y378 WeakPolarHBondContact O-CE2 3.11Å; Y378-Y380 PolarHBondContact O-N 3.34Å; Y378-K383 VanDerWaalsContact CB-CE 3.47Å; Y378-T397 CarbonylContact O-C 3.58Å; Y378-T397 VanDerWaalsContact O-CA 3.24Å; Y378-T397 WeakPolarHBondContact O-CA 3.32Å; Y378-T397 VanDerWaalsContact O-CB 3.29Å; Y378-T397 WeakPolarHBondContact O-CB 3.45Å; Y378-A398 PolarHBondContact N-O 3.3Å; Y378-A398 PolarHBondContact O-N 2.84Å; Y378-A400 HydrophobicContact CD2-CB 4.38Å; Y378-D402 HydrophobicContact CE2-CB 4.21Å; Y378-D402 WeakPolarHBondContact OH-CB 3.21Å; Y378-D402 PolarHBondContact OH-OD2 2.73Å
379	P	97.6	Very high	96.3	Very high	6 Å²	6	28 Å²	28	4%	0.039	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	132.3	171.4	-26.4	33.9	0	0	0	111.1	Y332 W352 D381 L382	Y332-P379 VanDerWaalsContact CD1-CD 3.48Å; Y332-P379 HydrophobicContact CD1-CG 3.78Å; Y332-P379 HydrophobicContact CE1-CG 3.36Å; Y332-P379 HydrophobicContact CE2-CG 4.17Å; Y332-P379 HydrophobicContact CG-CG 4.34Å; W352-P379 HydrophobicContact CH2-CB 3.72Å; W352-P379 HydrophobicContact CH2-CG 3.92Å; W352-P379 HydrophobicContact CZ2-CB 4.16Å; W352-P379 HydrophobicContact CZ2-CG 3.92Å; W352-P379 HydrophobicContact CZ3-CB 4.14Å; W352-P379 HydrophobicContact CZ3-CG 4.3Å; P379-D381 VanDerWaalsContact C-N 3.28Å; P379-D381 PolarHBondContact O-N 3.48Å; P379-L382 HydrophobicContact CB-CD1 4.05Å; P379-L382 HydrophobicContact CB-CG 4.09Å; P379-L382 HydrophobicContact CG-CD1 3.86Å; P379-L382 HydrophobicContact CG-CG 4.46Å; P379-L382 PolarHBondContact O-N 3.06Å; P379-L382 VanDerWaalsContact O-N 3.07Å
380	Y	95.6	Very high	96.4	Very high	15 Å²	15	28.5 Å²	28.5	6%	0.059	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-57.2	-41.4	-169.2	-175.8	-107.6	0	0	0	113	Y378 L382 K383 D389 H396 A398 R427	Y378-Y380 PolarHBondContact O-N 3.34Å; Y380-L382 VanDerWaalsContact C-N 3.27Å; Y380-L382 PolarHBondContact O-N 3.28Å; Y380-K383 PolarHBondContact O-N 2.83Å; Y380-D389 HydrophobicContact CD2-CB 4.07Å; Y380-D389 VanDerWaalsContact CE2-CA 3.49Å; Y380-D389 HydrophobicContact CE2-CB 3.39Å; Y380-H396 VanDerWaalsContact CB-O 3.28Å; Y380-H396 WeakPolarHBondContact CB-O 3.22Å; Y380-H396 AromaticContact CD1-CE1 3.39Å; Y380-H396 WeakPolarHBondContact CD1-CE1 3.29Å; Y380-H396 AromaticContact CD1-NE2 3.48Å; Y380-H396 WeakPolarHBondContact CD1-NE2 3.18Å; Y380-H396 AromaticContact CE1-CE1 4Å; Y380-H396 AromaticContact CE1-NE2 3.93Å; Y380-H396 AromaticContact CG-CE1 3.82Å; Y380-H396 AromaticContact CG-NE2 3.58Å; Y380-H396 PolarHBondContact N-O 2.85Å; Y380-A398 HydrophobicContact CD2-CB 3.85Å; Y380-R427 VanDerWaalsContact CE2-NH1 3.28Å; Y380-R427 PolarHBondContact O-NH2 2.85Å; Y380-R427 VanDerWaalsContact OH-CD 3.22Å; Y380-R427 WeakPolarHBondContact OH-CD 3.38Å; Y380-R427 PolarHBondContact OH-NH1 2.84Å
381	D	92.9	Very high	96.4	Very high	134 Å²	134	30.3 Å²	30.3	72%	0.717	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-73.5	-12.9	-177.2	-66.4	-30.4	0	0	0	114.1	P379	P379-D381 VanDerWaalsContact C-N 3.28Å; P379-D381 PolarHBondContact O-N 3.48Å
382	L	93.2	Very high	96.3	Very high	68 Å²	68	32.9 Å²	32.9	36%	0.356	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-84.2	-15.5	175.1	-68.5	-177	0	0	0	113.3	D355 P379 Y380	D355-L382 HydrophobicContact CB-CD1 4.41Å; P379-L382 HydrophobicContact CB-CD1 4.05Å; P379-L382 HydrophobicContact CB-CG 4.09Å; P379-L382 HydrophobicContact CG-CD1 3.86Å; P379-L382 HydrophobicContact CG-CG 4.46Å; P379-L382 PolarHBondContact O-N 3.06Å; P379-L382 VanDerWaalsContact O-N 3.07Å; Y380-L382 VanDerWaalsContact C-N 3.27Å; Y380-L382 PolarHBondContact O-N 3.28Å
383	K	93.8	Very high	96	Very high	38 Å²	38	39.6 Å²	39.6	17%	0.165	20%	0.197	C	C	.	.	S	Bend	trans	-104.9	155.4	-174.2	-67.2	-68.9	-179.2	178.8	0	111.6	Y378 Y380 A387 A398 A400 D402 R427	Y378-K383 VanDerWaalsContact CB-CE 3.47Å; Y380-K383 PolarHBondContact O-N 2.83Å; K383-A387 HydrophobicContact CB-CB 3.98Å; K383-A398 HydrophobicContact CB-CB 4.12Å; K383-A398 HydrophobicContact CG-CB 4.33Å; K383-A400 HydrophobicContact CD-CB 3.79Å; K383-A400 HydrophobicContact CG-CB 3.77Å; K383-D402 VanDerWaalsContact NZ-CG 3.26Å; K383-D402 IonicContact NZ-OD1 2.75Å; K383-D402 PolarHBondContact NZ-OD1 2.96Å; K383-D402 IonicContact NZ-OD2 3.35Å; K383-D402 PolarHBondContact NZ-OD2 2.91Å; K383-R427 PolarHBondContact O-NH2 3.38Å
384	P	92.8	Very high	95.6	Very high	36 Å²	36	45 Å²	45	23%	0.234	23%	0.232	C	C	.	.			trans	-60.9	161.6	-178.3	-27	37.4	0	0	0	113.9	Y386 A387 R427	P384-Y386 HydrophobicContact CB-CD1 3.81Å; P384-Y386 HydrophobicContact CB-CD2 4.49Å; P384-Y386 HydrophobicContact CB-CE1 3.34Å; P384-Y386 HydrophobicContact CB-CE2 4.08Å; P384-Y386 HydrophobicContact CB-CG 4.37Å; P384-Y386 VanDerWaalsContact CB-CZ 3.5Å; P384-Y386 HydrophobicContact CG-CE1 4Å; P384-Y386 HydrophobicContact CG-CE2 4.36Å; P384-Y386 PolarHBondContact O-N 2.77Å; P384-A387 WeakPolarHBondContact O-CB 3.44Å; P384-A387 PolarHBondContact O-N 3.22Å; P384-R427 PolarHBondContact O-NH1 3.16Å; P384-R427 PolarHBondContact O-NH2 2.86Å; P384-R427 VanDerWaalsContact O-NH2 3.07Å
385	F	92.9	Very high	95.1	Very high	16 Å²	16	49 Å²	49	7%	0.07	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.7	-173.3	71	-92.7	0	0	0	114.9	L232 L424 R427 L428 Y437 Y440	L232-F385 HydrophobicContact CD2-CZ 4.43Å; F385-L424 HydrophobicContact CD2-CD1 4.02Å; F385-R427 HydrophobicContact CB-CG 3.95Å; F385-R427 VanDerWaalsContact O-CD 3.24Å; F385-R427 WeakPolarHBondContact O-CD 3.35Å; F385-R427 PolarHBondContact O-NH1 2.67Å; F385-L428 HydrophobicContact CD2-CD2 3.55Å; F385-L428 HydrophobicContact CD2-CG 4.17Å; F385-L428 HydrophobicContact CE2-CD2 3.75Å; F385-L428 HydrophobicContact CG-CD2 4.06Å; F385-L428 HydrophobicContact CZ-CD2 4.41Å; F385-Y437 HydrophobicContact CZ-CE2 4.42Å; F385-Y440 HydrophobicContact CE2-CD1 4.12Å; F385-Y440 AromaticContact CE2-CE1 3.76Å; F385-Y440 HydrophobicContact CE2-CE1 3.76Å
386	Y	95.1	Very high	95	Very high	19 Å²	19	51 Å²	51	8%	0.075	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.2	-178.2	55.8	-107.8	0	0	0	113.8	C197 Q231 L232 P384 R388 R417 E418 Y440	C197-Y386 WeakPolarHBondContact O-CE1 3.31Å; Q231-Y386 VanDerWaalsContact NE2-CZ 3.34Å; Q231-Y386 PolarHBondContact OE1-OH 2.79Å; L232-Y386 HydrophobicContact CD2-CD1 4.48Å; P384-Y386 HydrophobicContact CB-CD1 3.81Å; P384-Y386 HydrophobicContact CB-CD2 4.49Å; P384-Y386 HydrophobicContact CB-CE1 3.34Å; P384-Y386 HydrophobicContact CB-CE2 4.08Å; P384-Y386 HydrophobicContact CB-CG 4.37Å; P384-Y386 VanDerWaalsContact CB-CZ 3.5Å; P384-Y386 HydrophobicContact CG-CE1 4Å; P384-Y386 HydrophobicContact CG-CE2 4.36Å; P384-Y386 PolarHBondContact O-N 2.77Å; Y386-R388 PolarHBondContact O-N 3.17Å; Y386-R417 CarbonylContact O-C 3.57Å; Y386-R417 VanDerWaalsContact O-CA 3.31Å; Y386-R417 WeakPolarHBondContact O-CA 3.26Å; Y386-E418 PolarHBondContact O-N 3.29Å; Y386-Y440 WeakPolarHBondContact CB-OH 3.46Å
387	A	97.2	Very high	95	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-73.4	128.6	-176.6	0	0	0	0	0	111.3	K383 P384 D389 A398 R427	K383-A387 HydrophobicContact CB-CB 3.98Å; P384-A387 WeakPolarHBondContact O-CB 3.44Å; P384-A387 PolarHBondContact O-N 3.22Å; A387-D389 PolarHBondContact O-N 3.16Å; A387-A398 HydrophobicContact CB-CB 4.03Å; A387-R427 PolarHBondContact O-NH1 3.12Å
388	R	97.9	Very high	95	Very high	54 Å²	54	48.1 Å²	48.1	20%	0.204	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-61	133.9	-175	-171.5	-176.6	-166	-152.2	1.9	112.5	Y386 A398 A399 L416 E418 E419	Y386-R388 PolarHBondContact O-N 3.17Å; R388-A398 CarbonylContact O-C 3.35Å; R388-A398 VanDerWaalsContact O-CA 3.27Å; R388-A398 WeakPolarHBondContact O-CA 3.3Å; R388-A399 HydrophobicContact CB-CB 4.19Å; R388-A399 PolarHBondContact O-N 2.92Å; R388-L416 HydrophobicContact CB-CB 3.92Å; R388-L416 WeakPolarHBondContact CB-O 3.4Å; R388-L416 PolarHBondContact N-O 3Å; R388-E418 WeakPolarHBondContact CA-OE2 3.46Å; R388-E419 WeakPolarHBondContact CD-OE2 3.44Å; R388-E419 IonicContact CZ-OE1 3.87Å; R388-E419 VanDerWaalsContact CZ-OE1 3.31Å; R388-E419 IonicContact CZ-OE2 2.68Å; R388-E419 IonicContact NE-OE1 3.8Å; R388-E419 PolarHBondContact NE-OE1 3.26Å; R388-E419 VanDerWaalsContact NE-OE1 3.16Å; R388-E419 IonicContact NE-OE2 3.64Å; R388-E419 PolarHBondContact NE-OE2 3.48Å; R388-E419 IonicContact NH2-OE1 2.85Å; R388-E419 PolarHBondContact NH2-OE1 2.75Å; R388-E419 IonicContact NH2-OE2 2.98Å
389	D	97.6	Very high	95	Very high	17 Å²	17	48.1 Å²	48.1	9%	0.091	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-74.3	124.1	173.8	-164.6	-27.6	0	0	0	110.8	Y380 A387 Q391 H396 E418 R420	Y380-D389 HydrophobicContact CD2-CB 4.07Å; Y380-D389 VanDerWaalsContact CE2-CA 3.49Å; Y380-D389 HydrophobicContact CE2-CB 3.39Å; A387-D389 PolarHBondContact O-N 3.16Å; D389-Q391 HydrophobicContact CB-CG 4.33Å; D389-Q391 PolarHBondContact O-N 2.98Å; D389-Q391 WeakPolarHBondContact OD1-CA 3.5Å; D389-Q391 PolarHBondContact OD1-N 2.95Å; D389-H396 IonicContact OD1-CD2 2.86Å; D389-H396 PolarHBondContact OD1-CD2 3.2Å; D389-H396 IonicContact OD1-NE2 2.96Å; D389-H396 PolarHBondContact OD1-NE2 2.82Å; D389-H396 IonicContact OD2-CD2 3.39Å; D389-H396 IonicContact OD2-NE2 3.47Å; D389-H396 PolarHBondContact OD2-NE2 3.5Å; D389-E418 PolarHBondContact N-OE2 2.99Å; D389-R420 PolarHBondContact O-NH2 2.87Å
390	N	97.5	Very high	95	Very high	55 Å²	55	47.9 Å²	47.9	29%	0.294	24%	0.244	S	C	.	.			trans	-72.6	-17.2	175.4	-78.3	-29.7	0	0	0	112.8	N377 D392 T397 A399	N377-N390 PolarHBondContact OD1-ND2 2.84Å; N390-D392 HydrophobicContact CB-CB 4.24Å; N390-D392 PolarHBondContact O-N 3.1Å; N390-T397 WeakPolarHBondContact CB-O 3.2Å; N390-T397 PolarHBondContact N-O 3.39Å; N390-T397 PolarHBondContact ND2-OG1 2.76Å; N390-A399 WeakPolarHBondContact OD1-CB 3.49Å
391	Q	95.2	Very high	95.2	Very high	108 Å²	108	47.2 Å²	47.2	51%	0.505	24%	0.241	S	C	.	.			trans	55.6	27.3	-176	-52.2	-171.6	-79.8	0	0	113.4	D389 H393	D389-Q391 HydrophobicContact CB-CG 4.33Å; D389-Q391 PolarHBondContact O-N 2.98Å; D389-Q391 WeakPolarHBondContact OD1-CA 3.5Å; D389-Q391 PolarHBondContact OD1-N 2.95Å; Q391-H393 PolarHBondContact O-N 2.83Å
392	D	94.3	Very high	95.4	Very high	58 Å²	58	41.3 Å²	41.3	31%	0.31	21%	0.21	S	C	.	.			trans	-91.1	73.5	-175.6	62.8	-23.8	0	0	0	111.7	N390 M395 H396 T397	N390-D392 HydrophobicContact CB-CB 4.24Å; N390-D392 PolarHBondContact O-N 3.1Å; D392-M395 PolarHBondContact O-N 3.43Å; D392-H396 PolarHBondContact O-N 3.38Å; D392-H396 WeakPolarHBondContact OD1-CA 3.45Å; D392-H396 PolarHBondContact OD1-N 2.77Å; D392-T397 PolarHBondContact OD1-N 2.91Å; D392-T397 PolarHBondContact OD1-OG1 3.13Å; D392-T397 VanDerWaalsContact OD1-OG1 3.12Å; D392-T397 PolarHBondContact OD2-OG1 3.32Å
393	H	90.4	Very high	95.7	Very high	141 Å²	141	38.1 Å²	38.1	65%	0.653	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	143.5	176.2	-65.6	-66	0	0	0	112.5	Q391 H396	Q391-H393 PolarHBondContact O-N 2.83Å; H393-H396 AromaticContact CE1-CD2 4Å; H393-H396 AromaticContact CE1-CG 3.92Å
394	P	90.3	Very high	95.9	Very high	114 Å²	114	36.3 Å²	36.3	74%	0.74	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.6	-2.5	8.3	35.2	-36.1	0	0	0	115.4
395	M	89.9	Confident	96.2	Very high	83 Å²	83	34.7 Å²	34.7	41%	0.409	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-43.3	-176.1	-64.1	-65.7	97.2	0	0	111.9	W352 D392 T397	W352-M395 WeakPolarHBondContact CH2-O 3.43Å; W352-M395 HydrophobicContact CZ2-CB 4.33Å; W352-M395 WeakPolarHBondContact CZ2-O 3.34Å; D392-M395 PolarHBondContact O-N 3.43Å; M395-T397 HydrophobicContact CB-CG2 4.11Å
396	H	96.4	Very high	96.2	Very high	43 Å²	43	34.2 Å²	34.2	20%	0.199	17%	0.174	C	C	.	.			trans	54.6	80.5	-179.1	-166.2	-154.2	0	0	0	112.8	Y380 D389 D392 H393	Y380-H396 VanDerWaalsContact CB-O 3.28Å; Y380-H396 WeakPolarHBondContact CB-O 3.22Å; Y380-H396 AromaticContact CD1-CE1 3.39Å; Y380-H396 WeakPolarHBondContact CD1-CE1 3.29Å; Y380-H396 AromaticContact CD1-NE2 3.48Å; Y380-H396 WeakPolarHBondContact CD1-NE2 3.18Å; Y380-H396 AromaticContact CE1-CE1 4Å; Y380-H396 AromaticContact CE1-NE2 3.93Å; Y380-H396 AromaticContact CG-CE1 3.82Å; Y380-H396 AromaticContact CG-NE2 3.58Å; Y380-H396 PolarHBondContact N-O 2.85Å; D389-H396 IonicContact OD1-CD2 2.86Å; D389-H396 PolarHBondContact OD1-CD2 3.2Å; D389-H396 IonicContact OD1-NE2 2.96Å; D389-H396 PolarHBondContact OD1-NE2 2.82Å; D389-H396 IonicContact OD2-CD2 3.39Å; D389-H396 IonicContact OD2-NE2 3.47Å; D389-H396 PolarHBondContact OD2-NE2 3.5Å; D392-H396 PolarHBondContact O-N 3.38Å; D392-H396 WeakPolarHBondContact OD1-CA 3.45Å; D392-H396 PolarHBondContact OD1-N 2.77Å; H393-H396 AromaticContact CE1-CD2 4Å; H393-H396 AromaticContact CE1-CG 3.92Å
397	T	98	Very high	95.9	Very high	3 Å²	3	36 Å²	36	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	158.4	-177.1	68.3	0	0	0	0	112.2	W352 N377 Y378 N390 D392 M395	W352-T397 HydrophobicContact CZ2-CG2 4.25Å; N377-T397 WeakPolarHBondContact O-CG2 3.36Å; Y378-T397 CarbonylContact O-C 3.58Å; Y378-T397 VanDerWaalsContact O-CA 3.24Å; Y378-T397 WeakPolarHBondContact O-CA 3.32Å; Y378-T397 VanDerWaalsContact O-CB 3.29Å; Y378-T397 WeakPolarHBondContact O-CB 3.45Å; N390-T397 WeakPolarHBondContact CB-O 3.2Å; N390-T397 PolarHBondContact N-O 3.39Å; N390-T397 PolarHBondContact ND2-OG1 2.76Å; D392-T397 PolarHBondContact OD1-N 2.91Å; D392-T397 PolarHBondContact OD1-OG1 3.13Å; D392-T397 VanDerWaalsContact OD1-OG1 3.12Å; D392-T397 PolarHBondContact OD2-OG1 3.32Å; M395-T397 HydrophobicContact CB-CG2 4.11Å
398	A	98.1	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.3	167.8	0	0	0	0	0	110	N377 Y378 Y380 K383 A387 R388 A400	N377-A398 VanDerWaalsContact CA-O 3.29Å; N377-A398 WeakPolarHBondContact CA-O 3.23Å; Y378-A398 PolarHBondContact N-O 3.3Å; Y378-A398 PolarHBondContact O-N 2.84Å; Y380-A398 HydrophobicContact CD2-CB 3.85Å; K383-A398 HydrophobicContact CB-CB 4.12Å; K383-A398 HydrophobicContact CG-CB 4.33Å; A387-A398 HydrophobicContact CB-CB 4.03Å; R388-A398 CarbonylContact O-C 3.35Å; R388-A398 VanDerWaalsContact O-CA 3.27Å; R388-A398 WeakPolarHBondContact O-CA 3.3Å; A398-A400 PolarHBondContact O-N 3.21Å
399	A	98.4	Very high	95.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	70.4	169.8	0	0	0	0	0	110.6	L278 R388 N390 S415 L416	L278-A399 HydrophobicContact CD1-CB 4.46Å; L278-A399 HydrophobicContact CD2-CB 4.44Å; L278-A399 HydrophobicContact CG-CB 4.38Å; R388-A399 HydrophobicContact CB-CB 4.19Å; R388-A399 PolarHBondContact O-N 2.92Å; N390-A399 WeakPolarHBondContact OD1-CB 3.49Å; A399-S415 CarbonylContact O-C 3.47Å; A399-S415 WeakPolarHBondContact O-CA 3.32Å; A399-S415 WeakPolarHBondContact O-CB 3.45Å; A399-L416 HydrophobicContact CB-CB 3.97Å; A399-L416 HydrophobicContact CB-CD1 4.04Å; A399-L416 HydrophobicContact CB-CG 4.12Å; A399-L416 PolarHBondContact O-N 3.16Å
400	A	98.4	Very high	95.4	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	153.6	177.7	0	0	0	0	0	110.2	T376 N377 Y378 K383 A398 G414	T376-A400 CarbonylContact C-O 3.54Å; T376-A400 VanDerWaalsContact CA-O 3.27Å; T376-A400 WeakPolarHBondContact CA-O 3.21Å; N377-A400 PolarHBondContact N-O 2.82Å; Y378-A400 HydrophobicContact CD2-CB 4.38Å; K383-A400 HydrophobicContact CD-CB 3.79Å; K383-A400 HydrophobicContact CG-CB 3.77Å; A398-A400 PolarHBondContact O-N 3.21Å; A400-G414 CarbonylContact C-O 3.46Å; A400-G414 WeakPolarHBondContact CA-O 3.35Å
401	V	98.6	Very high	95.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134	177.4	59	0	0	0	0	110.6	L278 T282 I285 F374 V375 T376 G413 G414	L278-V401 HydrophobicContact CD2-CB 4.24Å; L278-V401 HydrophobicContact CD2-CG1 4.05Å; T282-V401 HydrophobicContact CG2-CG2 3.83Å; I285-V401 HydrophobicContact CD1-CG1 4.34Å; F374-V401 HydrophobicContact CB-CG2 4.1Å; F374-V401 HydrophobicContact CD1-CG2 3.65Å; F374-V401 HydrophobicContact CG-CG2 4.3Å; V375-V401 CarbonylContact O-C 3.52Å; V375-V401 VanDerWaalsContact O-CA 3.26Å; V375-V401 WeakPolarHBondContact O-CA 3.31Å; T376-V401 HydrophobicContact CG2-CB 4.09Å; T376-V401 HydrophobicContact CG2-CG2 3.78Å; V401-G413 CarbonylContact O-C 3.5Å; V401-G414 PolarHBondContact N-O 2.89Å; V401-G414 PolarHBondContact O-N 3.4Å
402	D	98.6	Very high	95.5	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.059	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.3	169.8	-58.3	-14.5	0	0	0	108.7	F374 V375 Y378 K383 L404 E410 C412	F374-D402 WeakPolarHBondContact CA-O 3.38Å; V375-D402 PolarHBondContact N-O 2.64Å; V375-D402 PolarHBondContact O-N 3.12Å; Y378-D402 HydrophobicContact CE2-CB 4.21Å; Y378-D402 WeakPolarHBondContact OH-CB 3.21Å; Y378-D402 PolarHBondContact OH-OD2 2.73Å; K383-D402 VanDerWaalsContact NZ-CG 3.26Å; K383-D402 IonicContact NZ-OD1 2.75Å; K383-D402 PolarHBondContact NZ-OD1 2.96Å; K383-D402 IonicContact NZ-OD2 3.35Å; K383-D402 PolarHBondContact NZ-OD2 2.91Å; D402-L404 HydrophobicContact CB-CD2 4.48Å; D402-E410 HydrophobicContact CB-CG 4.45Å; D402-C412 CarbonylContact C-O 3.55Å; D402-C412 VanDerWaalsContact CA-O 3.28Å; D402-C412 WeakPolarHBondContact CA-O 3.4Å
403	L	98.8	Very high	95.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111	170.7	178.9	62.2	0	0	0	109.1	I285 F327 P372 F374 V405 L411 C412	I285-L403 HydrophobicContact CG2-CB 4.3Å; I285-L403 HydrophobicContact CG2-CD2 3.68Å; F327-L403 HydrophobicContact CD2-CD1 4.1Å; P372-L403 HydrophobicContact CB-CD1 3.7Å; P372-L403 HydrophobicContact CB-CG 4.44Å; F374-L403 HydrophobicContact CD1-CB 3.99Å; F374-L403 HydrophobicContact CD1-CD1 3.83Å; F374-L403 HydrophobicContact CD1-CG 4.46Å; F374-L403 HydrophobicContact CD2-CD1 4.29Å; F374-L403 HydrophobicContact CE1-CB 3.85Å; F374-L403 HydrophobicContact CE1-CD1 3.71Å; F374-L403 HydrophobicContact CE1-CD2 4.31Å; F374-L403 HydrophobicContact CE1-CG 4.15Å; F374-L403 HydrophobicContact CE2-CD1 4.18Å; F374-L403 HydrophobicContact CG-CD1 4.13Å; F374-L403 HydrophobicContact CZ-CD1 3.89Å; F374-L403 HydrophobicContact CZ-CD2 4.46Å; L403-V405 HydrophobicContact CD2-CG1 4.36Å; L403-V405 HydrophobicContact CG-CG1 4.13Å; L403-L411 HydrophobicContact CD2-CD2 4.35Å; L403-L411 PolarHBondContact O-N 3.42Å; L403-C412 HydrophobicContact CB-CB 4.04Å; L403-C412 PolarHBondContact N-O 3.21Å
404	L	98.6	Very high	96	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133	174.7	-50.5	-176.9	0	0	0	109.7	E361 L364 V365 P372 V373 V375 D402 G409 E410	E361-L404 HydrophobicContact CB-CD1 3.98Å; E361-L404 HydrophobicContact CB-CD2 4.15Å; E361-L404 HydrophobicContact CG-CD1 4.21Å; E361-L404 HydrophobicContact CG-CD2 3.9Å; L364-L404 HydrophobicContact CB-CD1 4.36Å; L364-L404 HydrophobicContact CD1-CD1 4.18Å; V365-L404 HydrophobicContact CG2-CB 3.52Å; P372-L404 CarbonylContact C-O 3.58Å; P372-L404 WeakPolarHBondContact CA-O 3.23Å; V373-L404 PolarHBondContact N-O 2.89Å; V373-L404 PolarHBondContact O-N 2.88Å; V375-L404 HydrophobicContact CG2-CD1 3.58Å; V375-L404 HydrophobicContact CG2-CG 4.06Å; D402-L404 HydrophobicContact CB-CD2 4.48Å; L404-G409 CarbonylContact C-O 3.57Å; L404-G409 WeakPolarHBondContact CA-O 3.43Å; L404-E410 HydrophobicContact CD2-CB 4.01Å
405	V	97.5	Very high	96.4	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.5	-179.6	-56.2	0	0	0	0	113	P372 L403 G407 V408 G409 L411 C464	P372-V405 HydrophobicContact CB-CG1 4.05Å; P372-V405 HydrophobicContact CG-CG1 4.1Å; L403-V405 HydrophobicContact CD2-CG1 4.36Å; L403-V405 HydrophobicContact CG-CG1 4.13Å; V405-G407 PolarHBondContact O-N 3.01Å; V405-V408 HydrophobicContact CG2-CB 3.73Å; V405-V408 HydrophobicContact CG2-CG2 4.1Å; V405-V408 PolarHBondContact O-N 2.9Å; V405-G409 PolarHBondContact N-O 2.83Å; V405-G409 PolarHBondContact O-N 2.72Å; V405-G409 VanDerWaalsContact O-N 3.13Å; V405-L411 HydrophobicContact CB-CB 4.45Å; V405-L411 HydrophobicContact CG1-CB 3.7Å; V405-L411 HydrophobicContact CG1-CD2 3.63Å; V405-L411 HydrophobicContact CG1-CG 4.3Å; V405-L411 HydrophobicContact CG2-CB 3.91Å; V405-L411 HydrophobicContact CG2-CD2 4.43Å; V405-C464 HydrophobicContact CG2-CB 3.88Å; V405-C464 VanDerWaalsContact CG2-SG 3.58Å
406	P	94.4	Very high	96.9	Very high	7 Å²	7	11.4 Å²	11.4	5%	0.045	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	133.9	179.5	-29.5	35.9	0	0	0	113.8	T318 M322 V365 N370 V408	T318-P406 HydrophobicContact CG2-CB 3.96Å; T318-P406 HydrophobicContact CG2-CG 4.22Å; M322-P406 HydrophobicContact CG-CG 4.49Å; M322-P406 HydrophobicContact SD-CG 3.99Å; V365-P406 HydrophobicContact CG1-CB 4.17Å; V365-P406 HydrophobicContact CG1-CG 3.74Å; N370-P406 WeakPolarHBondContact O-CG 3.4Å; P406-V408 PolarHBondContact O-N 3.16Å
407	G	87.3	Confident	96.9	Very high	56 Å²	56	9.5 Å²	9.5	58%	0.577	7%	0.071	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	-35.4	175.7	0	0	0	0	0	115.6	K362 V405	K362-G407 WeakPolarHBondContact CE-O 3.27Å; K362-G407 PolarHBondContact NZ-O 2.72Å; V405-G407 PolarHBondContact O-N 3.01Å
408	V	91.9	Very high	96.9	Very high	15 Å²	15	9.3 Å²	9.3	9%	0.091	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-50.1	-175.5	-176	0	0	0	0	111.9	V405 P406 R460 Q463 C464	V405-V408 HydrophobicContact CG2-CB 3.73Å; V405-V408 HydrophobicContact CG2-CG2 4.1Å; V405-V408 PolarHBondContact O-N 2.9Å; P406-V408 PolarHBondContact O-N 3.16Å; V408-R460 HydrophobicContact CG1-CB 4.07Å; V408-R460 HydrophobicContact CG1-CG 4.04Å; V408-Q463 HydrophobicContact CG2-CB 4.09Å; V408-C464 HydrophobicContact CG2-CB 4.06Å
409	G	94.3	Very high	96.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.8	-143.6	-164	0	0	0	0	0	110.2	E361 L404 V405 L411	E361-G409 WeakPolarHBondContact OE2-CA 3.47Å; L404-G409 CarbonylContact C-O 3.57Å; L404-G409 WeakPolarHBondContact CA-O 3.43Å; V405-G409 PolarHBondContact N-O 2.83Å; V405-G409 PolarHBondContact O-N 2.72Å; V405-G409 VanDerWaalsContact O-N 3.13Å; G409-L411 PolarHBondContact O-N 3.29Å
410	E	96.8	Very high	96.9	Very high	56 Å²	56	13.5 Å²	13.5	26%	0.262	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	123.5	175	-178.9	-150.7	-176.6	0	0	112.7	E361 D402 L404 R460	E361-E410 WeakPolarHBondContact OE1-CB 3.47Å; E361-E410 PolarHBondContact OE2-N 3.1Å; D402-E410 HydrophobicContact CB-CG 4.45Å; L404-E410 HydrophobicContact CD2-CB 4.01Å; E410-R460 WeakPolarHBondContact O-CD 3.46Å; E410-R460 PolarHBondContact O-NH1 3.3Å; E410-R460 IonicContact OE2-NH1 3.94Å; E410-R460 PolarHBondContact OE2-NH1 3.32Å
411	L	97.4	Very high	96.8	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-37.3	172.3	173	59.8	0	0	0	112.2	F289 L403 V405 G409 L456 G457 R460	F289-L411 HydrophobicContact CD2-CD2 3.66Å; F289-L411 HydrophobicContact CE2-CD2 3.78Å; L403-L411 HydrophobicContact CD2-CD2 4.35Å; L403-L411 PolarHBondContact O-N 3.42Å; V405-L411 HydrophobicContact CB-CB 4.45Å; V405-L411 HydrophobicContact CG1-CB 3.7Å; V405-L411 HydrophobicContact CG1-CD2 3.63Å; V405-L411 HydrophobicContact CG1-CG 4.3Å; V405-L411 HydrophobicContact CG2-CB 3.91Å; V405-L411 HydrophobicContact CG2-CD2 4.43Å; G409-L411 PolarHBondContact O-N 3.29Å; L411-L456 HydrophobicContact CD1-CG 4.47Å; L411-L456 HydrophobicContact CG-CG 4.43Å; L411-G457 PolarHBondContact O-N 3.43Å; L411-G457 VanDerWaalsContact O-N 3.14Å; L411-R460 HydrophobicContact CD1-CB 3.71Å
412	C	97.4	Very high	96.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.7	-172.8	179.8	0	0	0	0	109.3	I285 D402 L403 F454 G455 L456	I285-C412 HydrophobicContact CG2-CB 4.12Å; D402-C412 CarbonylContact C-O 3.55Å; D402-C412 VanDerWaalsContact CA-O 3.28Å; D402-C412 WeakPolarHBondContact CA-O 3.4Å; L403-C412 HydrophobicContact CB-CB 4.04Å; L403-C412 PolarHBondContact N-O 3.21Å; C412-F454 WeakPolarHBondContact SG-CD2 3.28Å; C412-G455 WeakPolarHBondContact CA-O 3.42Å; C412-G455 PolarHBondContact SG-O 3.11Å; C412-L456 HydrophobicContact CB-CB 4.31Å
413	G	97.9	Very high	96.7	Very high	21 Å²	21	22.7 Å²	22.7	22%	0.216	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140	172	0	0	0	0	0	109.8	V401 F454 G455	V401-G413 CarbonylContact O-C 3.5Å; G413-F454 CarbonylContact O-C 3.58Å; G413-F454 WeakPolarHBondContact O-CA 3.45Å; G413-G455 PolarHBondContact N-O 3.33Å; G413-G455 VanDerWaalsContact N-O 3.09Å; G413-G455 PolarHBondContact O-N 3.49Å
414	G	98.1	Very high	96.6	Very high	9 Å²	9	22.7 Å²	22.7	9%	0.093	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	169.4	-177.1	0	0	0	0	0	113.1	A400 V401 G453	A400-G414 CarbonylContact C-O 3.46Å; A400-G414 WeakPolarHBondContact CA-O 3.35Å; V401-G414 PolarHBondContact N-O 2.89Å; V401-G414 PolarHBondContact O-N 3.4Å; G414-G453 CarbonylContact C-O 3.57Å; G414-G453 WeakPolarHBondContact CA-O 3.4Å
415	S	98.6	Very high	96.4	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.028	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	158	174.9	66.2	0	0	0	0	111.8	L281 A399 R417 G452 G453	L281-S415 WeakPolarHBondContact CD1-O 3.35Å; A399-S415 CarbonylContact O-C 3.47Å; A399-S415 WeakPolarHBondContact O-CA 3.32Å; A399-S415 WeakPolarHBondContact O-CB 3.45Å; S415-R417 PolarHBondContact OG-NH1 2.9Å; S415-G452 VanDerWaalsContact O-CA 3.25Å; S415-G452 WeakPolarHBondContact O-CA 3.5Å; S415-G453 PolarHBondContact N-O 3.21Å; S415-G453 PolarHBondContact O-N 3.31Å
416	L	98.6	Very high	96.3	Very high	6 Å²	6	28 Å²	28	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	144.5	152.2	-59.5	-178.3	0	0	0	108.5	T275 E276 L278 L281 R388 A399	T275-L416 HydrophobicContact CG2-CD2 3.86Å; E276-L416 WeakPolarHBondContact O-CD1 3.31Å; L278-L416 HydrophobicContact CD2-CG 4.2Å; L281-L416 HydrophobicContact CD1-CD2 4.07Å; L281-L416 HydrophobicContact CG-CD2 4.43Å; R388-L416 HydrophobicContact CB-CB 3.92Å; R388-L416 WeakPolarHBondContact CB-O 3.4Å; R388-L416 PolarHBondContact N-O 3Å; A399-L416 HydrophobicContact CB-CB 3.97Å; A399-L416 HydrophobicContact CB-CD1 4.04Å; A399-L416 HydrophobicContact CB-CG 4.12Å; A399-L416 PolarHBondContact O-N 3.16Å
417	R	98.1	Very high	96.2	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-92.3	145.8	-179.6	-43.7	-49.2	179.2	175.6	14.5	109.7	Q231 E235 E271 Y386 S415 E419 H451 G453	Q231-R417 VanDerWaalsContact CD-NH1 3.28Å; Q231-R417 VanDerWaalsContact CG-NH2 3.3Å; Q231-R417 VanDerWaalsContact OE1-CZ 3.25Å; E235-R417 HydrophobicContact CG-CG 4.46Å; E271-R417 WeakPolarHBondContact OE1-CG 3.38Å; E271-R417 IonicContact OE1-CZ 2.8Å; E271-R417 IonicContact OE1-NE 2.69Å; E271-R417 PolarHBondContact OE1-NE 3.03Å; E271-R417 IonicContact OE1-NH2 2.68Å; E271-R417 IonicContact OE2-CZ 2.67Å; E271-R417 IonicContact OE2-NE 3.14Å; E271-R417 PolarHBondContact OE2-NE 2.84Å; E271-R417 IonicContact OE2-NH2 3.15Å; E271-R417 PolarHBondContact OE2-NH2 3.38Å; Y386-R417 CarbonylContact O-C 3.57Å; Y386-R417 VanDerWaalsContact O-CA 3.31Å; Y386-R417 WeakPolarHBondContact O-CA 3.26Å; S415-R417 PolarHBondContact OG-NH1 2.9Å; R417-E419 PolarHBondContact O-N 3.08Å; R417-E419 VanDerWaalsContact O-OE2 3.11Å; R417-H451 VanDerWaalsContact CB-NE2 3.33Å; R417-H451 WeakPolarHBondContact CB-NE2 3.25Å; R417-H451 WeakPolarHBondContact CG-CD2 3.24Å; R417-H451 WeakPolarHBondContact CG-NE2 3.46Å; R417-H451 PolarHBondContact N-O 3.17Å; R417-G453 VanDerWaalsContact NH2-CA 3.26Å; R417-G453 PolarHBondContact NH2-O 3.27Å
418	E	97.9	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.			trans	-69.7	98.6	176.5	-173.6	53	-106.4	0	0	109.5	Y386 R388 D389 R420 L423 L424 R444	Y386-E418 PolarHBondContact O-N 3.29Å; R388-E418 WeakPolarHBondContact CA-OE2 3.46Å; D389-E418 PolarHBondContact N-OE2 2.99Å; E418-R420 WeakPolarHBondContact OE1-CB 3.29Å; E418-R420 IonicContact OE1-CZ 3.99Å; E418-R420 PolarHBondContact OE1-N 3.42Å; E418-R420 IonicContact OE1-NE 3.72Å; E418-R420 PolarHBondContact OE1-NE 2.68Å; E418-R420 IonicContact OE1-NH2 3.9Å; E418-R420 PolarHBondContact OE1-NH2 3.17Å; E418-R420 IonicContact OE2-CZ 2.75Å; E418-R420 IonicContact OE2-NE 3.45Å; E418-R420 IonicContact OE2-NH2 3.71Å; E418-R420 PolarHBondContact OE2-NH2 2.9Å; E418-L423 HydrophobicContact CG-CB 4.08Å; E418-L424 HydrophobicContact CB-CB 4.37Å; E418-L424 HydrophobicContact CB-CD1 4.44Å; E418-L424 HydrophobicContact CG-CB 3.87Å; E418-R444 PolarHBondContact O-NE 3.01Å; E418-R444 PolarHBondContact O-NH2 3.35Å
419	E	97.4	Very high	96.6	Very high	24 Å²	24	30.1 Å²	30.1	11%	0.112	15%	0.153	C	C	.	.			trans	-84.6	-17.3	-179.5	80.4	-71.1	-178.7	0	0	112.1	R388 R417 L421 R444 S448 V449	R388-E419 WeakPolarHBondContact CD-OE2 3.44Å; R388-E419 IonicContact CZ-OE1 3.87Å; R388-E419 VanDerWaalsContact CZ-OE1 3.31Å; R388-E419 IonicContact CZ-OE2 2.68Å; R388-E419 IonicContact NE-OE1 3.8Å; R388-E419 PolarHBondContact NE-OE1 3.26Å; R388-E419 VanDerWaalsContact NE-OE1 3.16Å; R388-E419 IonicContact NE-OE2 3.64Å; R388-E419 PolarHBondContact NE-OE2 3.48Å; R388-E419 IonicContact NH2-OE1 2.85Å; R388-E419 PolarHBondContact NH2-OE1 2.75Å; R388-E419 IonicContact NH2-OE2 2.98Å; R417-E419 PolarHBondContact O-N 3.08Å; R417-E419 VanDerWaalsContact O-OE2 3.11Å; E419-L421 PolarHBondContact O-N 3.11Å; E419-R444 WeakPolarHBondContact O-CG 3.24Å; E419-S448 PolarHBondContact O-OG 3.13Å; E419-V449 WeakPolarHBondContact CB-O 3.47Å
420	R	97.6	Very high	96.3	Very high	64 Å²	64	39.2 Å²	39.2	24%	0.242	19%	0.188	C	C	.	.			trans	-85.6	109.8	-177.2	-58.2	159.8	-68.1	-173.5	0.6	109.3	D389 E418 N422 L423 L424	D389-R420 PolarHBondContact O-NH2 2.87Å; E418-R420 WeakPolarHBondContact OE1-CB 3.29Å; E418-R420 IonicContact OE1-CZ 3.99Å; E418-R420 PolarHBondContact OE1-N 3.42Å; E418-R420 IonicContact OE1-NE 3.72Å; E418-R420 PolarHBondContact OE1-NE 2.68Å; E418-R420 IonicContact OE1-NH2 3.9Å; E418-R420 PolarHBondContact OE1-NH2 3.17Å; E418-R420 IonicContact OE2-CZ 2.75Å; E418-R420 IonicContact OE2-NE 3.45Å; E418-R420 IonicContact OE2-NH2 3.71Å; E418-R420 PolarHBondContact OE2-NH2 2.9Å; R420-N422 VanDerWaalsContact C-N 3.33Å; R420-N422 PolarHBondContact O-N 3.37Å; R420-L423 HydrophobicContact CB-CD1 4.28Å; R420-L423 HydrophobicContact CB-CG 4.36Å; R420-L423 PolarHBondContact O-N 3.44Å; R420-L423 VanDerWaalsContact O-N 3.12Å; R420-L424 PolarHBondContact O-N 2.97Å; R420-L424 VanDerWaalsContact O-N 3.16Å
421	L	97.6	Very high	95.8	Very high	44 Å²	44	40.6 Å²	40.6	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-47.5	-50.1	-174.4	179.9	62.7	0	0	0	113.6	E419 L423 L424 M425 L441 R444 R445	E419-L421 PolarHBondContact O-N 3.11Å; L421-L423 VanDerWaalsContact C-N 3.34Å; L421-L423 PolarHBondContact O-N 3.24Å; L421-L424 PolarHBondContact O-N 3.09Å; L421-M425 HydrophobicContact CD1-CG 3.98Å; L421-M425 HydrophobicContact CD1-SD 3.86Å; L421-M425 HydrophobicContact CD2-SD 4.35Å; L421-M425 HydrophobicContact CG-CG 4.3Å; L421-M425 HydrophobicContact CG-SD 3.78Å; L421-M425 WeakPolarHBondContact O-CB 3.31Å; L421-M425 VanDerWaalsContact O-CG 3.24Å; L421-M425 WeakPolarHBondContact O-CG 3.4Å; L421-M425 PolarHBondContact O-N 3.26Å; L421-L441 HydrophobicContact CD1-CB 4.1Å; L421-L441 HydrophobicContact CD1-CD2 4Å; L421-R444 HydrophobicContact CB-CB 4.09Å; L421-R444 HydrophobicContact CD1-CB 3.93Å; L421-R445 HydrophobicContact CD1-CG 4.11Å; L421-R445 HydrophobicContact CD2-CG 3.73Å
422	N	96.8	Very high	95.4	Very high	120 Å²	120	43.4 Å²	43.4	64%	0.642	23%	0.23	S	C	*	.	H	α-helix	trans	-62.8	-40.2	-175	-65	-20.6	0	0	0	112.4	R420 D426	R420-N422 VanDerWaalsContact C-N 3.33Å; R420-N422 PolarHBondContact O-N 3.37Å; N422-D426 VanDerWaalsContact O-CG 3.3Å; N422-D426 PolarHBondContact O-N 2.76Å
423	L	96.6	Very high	94.9	Very high	43 Å²	43	45.9 Å²	45.9	23%	0.225	24%	0.243	C	C	.	.	H	α-helix	trans	-71.1	-41.1	-179.5	-61.5	-176.7	0	0	0	111.5	E418 R420 L421 D426 R427	E418-L423 HydrophobicContact CG-CB 4.08Å; R420-L423 HydrophobicContact CB-CD1 4.28Å; R420-L423 HydrophobicContact CB-CG 4.36Å; R420-L423 PolarHBondContact O-N 3.44Å; R420-L423 VanDerWaalsContact O-N 3.12Å; L421-L423 VanDerWaalsContact C-N 3.34Å; L421-L423 PolarHBondContact O-N 3.24Å; L423-D426 PolarHBondContact O-N 2.87Å; L423-R427 PolarHBondContact O-N 2.9Å
424	L	96.9	Very high	94.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-43.2	175.2	-178.9	58.7	0	0	0	111.6	F385 E418 R420 L421 R427 L428 Y440 L441 R444	F385-L424 HydrophobicContact CD2-CD1 4.02Å; E418-L424 HydrophobicContact CB-CB 4.37Å; E418-L424 HydrophobicContact CB-CD1 4.44Å; E418-L424 HydrophobicContact CG-CB 3.87Å; R420-L424 PolarHBondContact O-N 2.97Å; R420-L424 VanDerWaalsContact O-N 3.16Å; L421-L424 PolarHBondContact O-N 3.09Å; L424-R427 PolarHBondContact O-N 3.46Å; L424-L428 HydrophobicContact CD1-CD1 4.31Å; L424-L428 HydrophobicContact CD1-CG 4.35Å; L424-L428 HydrophobicContact CG-CD1 4.16Å; L424-L428 WeakPolarHBondContact O-CG 3.49Å; L424-L428 PolarHBondContact O-N 3.05Å; L424-Y440 HydrophobicContact CD1-CE1 4.18Å; L424-Y440 HydrophobicContact CD2-CD1 3.96Å; L424-Y440 HydrophobicContact CD2-CE1 3.79Å; L424-L441 HydrophobicContact CB-CD2 4.38Å; L424-L441 HydrophobicContact CD2-CD2 3.94Å; L424-L441 HydrophobicContact CG-CD2 3.87Å; L424-R444 HydrophobicContact CD2-CG 4.17Å
425	M	96.1	Very high	93.7	Very high	34 Å²	34	54.4 Å²	54.4	17%	0.167	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-47.9	175.1	-76.1	-179.1	67.7	0	0	111.4	L421 R427 L428 K429 E434 L441	L421-M425 HydrophobicContact CD1-CG 3.98Å; L421-M425 HydrophobicContact CD1-SD 3.86Å; L421-M425 HydrophobicContact CD2-SD 4.35Å; L421-M425 HydrophobicContact CG-CG 4.3Å; L421-M425 HydrophobicContact CG-SD 3.78Å; L421-M425 WeakPolarHBondContact O-CB 3.31Å; L421-M425 VanDerWaalsContact O-CG 3.24Å; L421-M425 WeakPolarHBondContact O-CG 3.4Å; L421-M425 PolarHBondContact O-N 3.26Å; M425-R427 VanDerWaalsContact C-N 3.27Å; M425-R427 PolarHBondContact O-N 2.92Å; M425-L428 PolarHBondContact O-N 3.46Å; M425-K429 WeakPolarHBondContact O-CB 3.44Å; M425-K429 VanDerWaalsContact O-CG 3.31Å; M425-K429 WeakPolarHBondContact O-CG 3.49Å; M425-K429 PolarHBondContact O-N 2.98Å; M425-E434 VanDerWaalsContact CE-OE1 3.31Å; M425-E434 WeakPolarHBondContact CE-OE1 3.36Å; M425-L441 HydrophobicContact CB-CD2 4.48Å; M425-L441 HydrophobicContact CG-CD1 3.77Å; M425-L441 HydrophobicContact CG-CD2 3.53Å; M425-L441 HydrophobicContact CG-CG 4.27Å
426	D	94.7	Very high	93.1	Very high	78 Å²	78	57.8 Å²	57.8	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-37	178.9	-74.3	-14.6	0	0	0	111.9	N422 L423 R430	N422-D426 VanDerWaalsContact O-CG 3.3Å; N422-D426 PolarHBondContact O-N 2.76Å; L423-D426 PolarHBondContact O-N 2.87Å; D426-R430 WeakPolarHBondContact O-CG 3.25Å; D426-R430 PolarHBondContact O-N 3.18Å
427	R	92.6	Very high	92.7	Very high	22 Å²	22	57.7 Å²	57.7	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-68.9	-45.7	176.6	-164.2	154.1	-178	-164.2	8.1	112.5	Y380 K383 P384 F385 A387 L423 L424 M425 K429 R430 V431	Y380-R427 VanDerWaalsContact CE2-NH1 3.28Å; Y380-R427 PolarHBondContact O-NH2 2.85Å; Y380-R427 VanDerWaalsContact OH-CD 3.22Å; Y380-R427 WeakPolarHBondContact OH-CD 3.38Å; Y380-R427 PolarHBondContact OH-NH1 2.84Å; K383-R427 PolarHBondContact O-NH2 3.38Å; P384-R427 PolarHBondContact O-NH1 3.16Å; P384-R427 PolarHBondContact O-NH2 2.86Å; P384-R427 VanDerWaalsContact O-NH2 3.07Å; F385-R427 HydrophobicContact CB-CG 3.95Å; F385-R427 VanDerWaalsContact O-CD 3.24Å; F385-R427 WeakPolarHBondContact O-CD 3.35Å; F385-R427 PolarHBondContact O-NH1 2.67Å; A387-R427 PolarHBondContact O-NH1 3.12Å; L423-R427 PolarHBondContact O-N 2.9Å; L424-R427 PolarHBondContact O-N 3.46Å; M425-R427 VanDerWaalsContact C-N 3.27Å; M425-R427 PolarHBondContact O-N 2.92Å; R427-K429 VanDerWaalsContact C-N 3.31Å; R427-K429 PolarHBondContact O-N 2.98Å; R427-R430 PolarHBondContact O-N 3.37Å; R427-V431 PolarHBondContact O-N 3.39Å
428	L	92.8	Very high	92.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-37.9	176.2	-75.9	171.6	0	0	0	112.2	F385 L424 M425 V431 G432 L433 E434 Y437 L441	F385-L428 HydrophobicContact CD2-CD2 3.55Å; F385-L428 HydrophobicContact CD2-CG 4.17Å; F385-L428 HydrophobicContact CE2-CD2 3.75Å; F385-L428 HydrophobicContact CG-CD2 4.06Å; F385-L428 HydrophobicContact CZ-CD2 4.41Å; L424-L428 HydrophobicContact CD1-CD1 4.31Å; L424-L428 HydrophobicContact CD1-CG 4.35Å; L424-L428 HydrophobicContact CG-CD1 4.16Å; L424-L428 WeakPolarHBondContact O-CG 3.49Å; L424-L428 PolarHBondContact O-N 3.05Å; M425-L428 PolarHBondContact O-N 3.46Å; L428-V431 WeakPolarHBondContact O-CG2 3.42Å; L428-V431 PolarHBondContact O-N 2.97Å; L428-G432 PolarHBondContact O-N 2.75Å; L428-L433 HydrophobicContact CD2-CB 3.95Å; L428-L433 PolarHBondContact O-N 2.99Å; L428-E434 HydrophobicContact CB-CB 4.44Å; L428-Y437 HydrophobicContact CD2-CD2 3.98Å; L428-Y437 HydrophobicContact CD2-CG 4.33Å; L428-L441 HydrophobicContact CD1-CD1 4.46Å; L428-L441 HydrophobicContact CD1-CD2 3.76Å; L428-L441 HydrophobicContact CD1-CG 4.03Å
429	K	93.4	Very high	92.1	Very high	101 Å²	101	65.2 Å²	65.2	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-45.1	173.6	-78.4	172.9	-173.8	173.9	0	112.5	M425 R427 V431 G432 E434	M425-K429 WeakPolarHBondContact O-CB 3.44Å; M425-K429 VanDerWaalsContact O-CG 3.31Å; M425-K429 WeakPolarHBondContact O-CG 3.49Å; M425-K429 PolarHBondContact O-N 2.98Å; R427-K429 VanDerWaalsContact C-N 3.31Å; R427-K429 PolarHBondContact O-N 2.98Å; K429-V431 PolarHBondContact O-N 3.3Å; K429-G432 PolarHBondContact O-N 2.9Å; K429-G432 VanDerWaalsContact O-N 3.11Å; K429-E434 WeakPolarHBondContact CE-OE1 3.27Å; K429-E434 WeakPolarHBondContact CE-OE2 3.44Å; K429-E434 HydrophobicContact CG-CB 4.22Å; K429-E434 HydrophobicContact CG-CG 4.4Å; K429-E434 WeakPolarHBondContact CG-OE2 3.22Å; K429-E434 IonicContact NZ-OE1 3.76Å
430	R	89.8	Confident	92	Very high	192 Å²	192	64 Å²	64	73%	0.725	33%	0.328	S	S	*	.	H	α-helix	trans	-60.1	-33.9	-179.8	-73.1	174.4	-167.6	-163.6	5.3	112.8	D426 R427	D426-R430 WeakPolarHBondContact O-CG 3.25Å; D426-R430 PolarHBondContact O-N 3.18Å; R427-R430 PolarHBondContact O-N 3.37Å
431	V	86	Confident	91.9	Very high	84 Å²	84	61 Å²	61	51%	0.509	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.8	179.2	-59.7	0	0	0	0	113.4	R427 L428 K429 L433	R427-V431 PolarHBondContact O-N 3.39Å; L428-V431 WeakPolarHBondContact O-CG2 3.42Å; L428-V431 PolarHBondContact O-N 2.97Å; K429-V431 PolarHBondContact O-N 3.3Å; V431-L433 HydrophobicContact CB-CD1 4.39Å; V431-L433 HydrophobicContact CB-CG 4.47Å; V431-L433 HydrophobicContact CG2-CB 3.96Å; V431-L433 HydrophobicContact CG2-CD1 3.69Å; V431-L433 HydrophobicContact CG2-CG 3.83Å
432	G	88.3	Confident	91.9	Very high	63 Å²	63	61.3 Å²	61.3	65%	0.649	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	28.1	177.3	0	0	0	0	0	114.7	L428 K429	L428-G432 PolarHBondContact O-N 2.75Å; K429-G432 PolarHBondContact O-N 2.9Å; K429-G432 VanDerWaalsContact O-N 3.11Å
433	L	87.3	Confident	91.9	Very high	53 Å²	53	57.7 Å²	57.7	28%	0.277	30%	0.298	S	S	.	.			trans	-115.6	8.2	-173.3	-64.6	177.3	0	0	0	114.1	L428 V431 D435 T436 Y437	L428-L433 HydrophobicContact CD2-CB 3.95Å; L428-L433 PolarHBondContact O-N 2.99Å; V431-L433 HydrophobicContact CB-CD1 4.39Å; V431-L433 HydrophobicContact CB-CG 4.47Å; V431-L433 HydrophobicContact CG2-CB 3.96Å; V431-L433 HydrophobicContact CG2-CD1 3.69Å; V431-L433 HydrophobicContact CG2-CG 3.83Å; L433-D435 PolarHBondContact O-N 2.96Å; L433-T436 PolarHBondContact O-N 3.47Å; L433-Y437 HydrophobicContact CB-CD2 3.89Å; L433-Y437 HydrophobicContact CB-CE2 4.21Å; L433-Y437 HydrophobicContact CD1-CE2 4.11Å; L433-Y437 PolarHBondContact O-N 3.39Å; L433-Y437 VanDerWaalsContact O-N 3.15Å
434	E	84.6	Confident	92	Very high	54 Å²	54	56.3 Å²	56.3	25%	0.252	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-49.8	-177.1	-176	175.8	-151.8	0	0	112.7	M425 L428 K429 T436 Y437 N438 L441	M425-E434 VanDerWaalsContact CE-OE1 3.31Å; M425-E434 WeakPolarHBondContact CE-OE1 3.36Å; L428-E434 HydrophobicContact CB-CB 4.44Å; K429-E434 WeakPolarHBondContact CE-OE1 3.27Å; K429-E434 WeakPolarHBondContact CE-OE2 3.44Å; K429-E434 HydrophobicContact CG-CB 4.22Å; K429-E434 HydrophobicContact CG-CG 4.4Å; K429-E434 WeakPolarHBondContact CG-OE2 3.22Å; K429-E434 IonicContact NZ-OE1 3.76Å; E434-T436 VanDerWaalsContact C-N 3.35Å; E434-T436 PolarHBondContact O-N 3.33Å; E434-Y437 CarbonylContact O-C 3.58Å; E434-Y437 PolarHBondContact O-N 2.83Å; E434-N438 PolarHBondContact O-N 3Å; E434-L441 HydrophobicContact CG-CD1 4.31Å
435	D	85.1	Confident	92	Very high	154 Å²	154	60.8 Å²	60.8	82%	0.824	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-40.1	-178.1	-67.8	-29	0	0	0	111.9	L433 Y437	L433-D435 PolarHBondContact O-N 2.96Å; D435-Y437 VanDerWaalsContact C-N 3.3Å; D435-Y437 PolarHBondContact O-N 2.76Å
436	T	86.3	Confident	92	Very high	76 Å²	76	66.9 Å²	66.9	47%	0.466	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-36	179.3	-53.6	0	0	0	0	112.2	L433 E434 W439	L433-T436 PolarHBondContact O-N 3.47Å; E434-T436 VanDerWaalsContact C-N 3.35Å; E434-T436 PolarHBondContact O-N 3.33Å; T436-W439 PolarHBondContact O-NE1 3.17Å
437	Y	90.3	Very high	91.9	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.016	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	24.9	-173.5	-73	-73.1	0	0	0	113.8	N195 D196 L232 F385 L428 L433 E434 D435 W439 Y440 L441	N195-Y437 HydrophobicContact CB-CE1 4.36Å; D196-Y437 PolarHBondContact N-OH 3.49Å; D196-Y437 PolarHBondContact O-OH 3.41Å; L232-Y437 HydrophobicContact CD1-CD1 4.41Å; L232-Y437 HydrophobicContact CD1-CE1 3.58Å; F385-Y437 HydrophobicContact CZ-CE2 4.42Å; L428-Y437 HydrophobicContact CD2-CD2 3.98Å; L428-Y437 HydrophobicContact CD2-CG 4.33Å; L433-Y437 HydrophobicContact CB-CD2 3.89Å; L433-Y437 HydrophobicContact CB-CE2 4.21Å; L433-Y437 HydrophobicContact CD1-CE2 4.11Å; L433-Y437 PolarHBondContact O-N 3.39Å; L433-Y437 VanDerWaalsContact O-N 3.15Å; E434-Y437 CarbonylContact O-C 3.58Å; E434-Y437 PolarHBondContact O-N 2.83Å; D435-Y437 VanDerWaalsContact C-N 3.3Å; D435-Y437 PolarHBondContact O-N 2.76Å; Y437-W439 AromaticContact CD1-CZ2 3.95Å; Y437-W439 HydrophobicContact CD1-CZ2 3.95Å; Y437-W439 HydrophobicContact CE1-CZ2 4.11Å; Y437-W439 PolarHBondContact O-N 3.28Å; Y437-Y440 WeakPolarHBondContact O-CA 3.35Å; Y437-Y440 WeakPolarHBondContact O-CB 3.09Å; Y437-Y440 PolarHBondContact O-N 2.84Å; Y437-L441 PolarHBondContact O-N 3.26Å
438	N	91.4	Very high	92.1	Very high	73 Å²	73	67.4 Å²	67.4	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-34.8	176.7	-175	52.9	0	0	0	112.9	E434 Y440 L441 D442 R445	E434-N438 PolarHBondContact O-N 3Å; N438-Y440 PolarHBondContact O-N 3.07Å; N438-L441 WeakPolarHBondContact O-CB 3.37Å; N438-L441 PolarHBondContact O-N 2.79Å; N438-D442 PolarHBondContact O-N 2.69Å; N438-D442 VanDerWaalsContact O-N 3.09Å; N438-R445 PolarHBondContact OD1-NH1 2.96Å; N438-R445 PolarHBondContact OD1-NH2 3.25Å; N438-R445 VanDerWaalsContact OD1-NH2 3.14Å
439	W	92.9	Very high	92.3	Very high	86 Å²	86	68.9 Å²	68.9	33%	0.326	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-29.8	173.3	67.2	-94.4	0	0	0	112.8	L232 V236 T436 Y437 D442 L443	L232-W439 HydrophobicContact CB-CH2 3.88Å; L232-W439 HydrophobicContact CD1-CH2 4.45Å; L232-W439 HydrophobicContact CD1-CZ2 4.48Å; V236-W439 HydrophobicContact CG2-CE3 4.29Å; V236-W439 HydrophobicContact CG2-CZ3 3.64Å; T436-W439 PolarHBondContact O-NE1 3.17Å; Y437-W439 AromaticContact CD1-CZ2 3.95Å; Y437-W439 HydrophobicContact CD1-CZ2 3.95Å; Y437-W439 HydrophobicContact CE1-CZ2 4.11Å; Y437-W439 PolarHBondContact O-N 3.28Å; W439-D442 WeakPolarHBondContact O-CB 3.43Å; W439-D442 PolarHBondContact O-N 3.26Å; W439-L443 HydrophobicContact CZ3-CD1 4.43Å
440	Y	95	Very high	92.5	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-78.8	-32	178.1	-174.8	-110.6	0	0	0	111	L232 E235 F385 Y386 L424 Y437 N438 D442 L443	L232-Y440 HydrophobicContact CD2-CD2 4.26Å; L232-Y440 HydrophobicContact CD2-CE2 3.65Å; E235-Y440 HydrophobicContact CB-CE2 4.31Å; E235-Y440 PolarHBondContact OE1-OH 3.29Å; E235-Y440 VanDerWaalsContact OE2-CE2 3.23Å; E235-Y440 WeakPolarHBondContact OE2-CE2 3.3Å; E235-Y440 VanDerWaalsContact OE2-CZ 3.24Å; E235-Y440 PolarHBondContact OE2-OH 2.92Å; F385-Y440 HydrophobicContact CE2-CD1 4.12Å; F385-Y440 AromaticContact CE2-CE1 3.76Å; F385-Y440 HydrophobicContact CE2-CE1 3.76Å; Y386-Y440 WeakPolarHBondContact CB-OH 3.46Å; L424-Y440 HydrophobicContact CD1-CE1 4.18Å; L424-Y440 HydrophobicContact CD2-CD1 3.96Å; L424-Y440 HydrophobicContact CD2-CE1 3.79Å; Y437-Y440 WeakPolarHBondContact O-CA 3.35Å; Y437-Y440 WeakPolarHBondContact O-CB 3.09Å; Y437-Y440 PolarHBondContact O-N 2.84Å; N438-Y440 PolarHBondContact O-N 3.07Å; Y440-D442 VanDerWaalsContact C-N 3.31Å; Y440-L443 HydrophobicContact CD2-CD1 3.63Å; Y440-L443 HydrophobicContact CE2-CD1 4.02Å; Y440-L443 VanDerWaalsContact O-CB 3.3Å; Y440-L443 WeakPolarHBondContact O-CB 3.45Å; Y440-L443 PolarHBondContact O-N 3.46Å
441	L	96.2	Very high	92.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-33.4	168.4	-65.5	176	0	0	0	112.4	L421 L424 M425 L428 E434 Y437 N438 L443 R444 R445	L421-L441 HydrophobicContact CD1-CB 4.1Å; L421-L441 HydrophobicContact CD1-CD2 4Å; L424-L441 HydrophobicContact CB-CD2 4.38Å; L424-L441 HydrophobicContact CD2-CD2 3.94Å; L424-L441 HydrophobicContact CG-CD2 3.87Å; M425-L441 HydrophobicContact CB-CD2 4.48Å; M425-L441 HydrophobicContact CG-CD1 3.77Å; M425-L441 HydrophobicContact CG-CD2 3.53Å; M425-L441 HydrophobicContact CG-CG 4.27Å; L428-L441 HydrophobicContact CD1-CD1 4.46Å; L428-L441 HydrophobicContact CD1-CD2 3.76Å; L428-L441 HydrophobicContact CD1-CG 4.03Å; E434-L441 HydrophobicContact CG-CD1 4.31Å; Y437-L441 PolarHBondContact O-N 3.26Å; N438-L441 WeakPolarHBondContact O-CB 3.37Å; N438-L441 PolarHBondContact O-N 2.79Å; L441-L443 PolarHBondContact O-N 2.78Å; L441-R444 WeakPolarHBondContact O-CA 3.34Å; L441-R444 WeakPolarHBondContact O-CB 3.38Å; L441-R444 PolarHBondContact O-N 3.32Å; L441-R445 PolarHBondContact O-N 3.07Å
442	D	96.6	Very high	93.5	Very high	50 Å²	50	52.9 Å²	52.9	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-31.7	175.1	-75.9	-25.3	0	0	0	112.4	N438 W439 Y440 R444 R445 F446	N438-D442 PolarHBondContact O-N 2.69Å; N438-D442 VanDerWaalsContact O-N 3.09Å; W439-D442 WeakPolarHBondContact O-CB 3.43Å; W439-D442 PolarHBondContact O-N 3.26Å; Y440-D442 VanDerWaalsContact C-N 3.31Å; D442-R444 PolarHBondContact O-N 2.76Å; D442-R444 VanDerWaalsContact O-N 3.13Å; D442-R445 PolarHBondContact O-N 3.02Å; D442-R445 WeakPolarHBondContact OD1-CD 3.39Å; D442-R445 IonicContact OD1-CZ 3.82Å; D442-R445 IonicContact OD1-NE 3.31Å; D442-R445 IonicContact OD1-NH1 2.75Å; D442-R445 PolarHBondContact OD1-NH1 2.86Å; D442-F446 HydrophobicContact CB-CD2 3.96Å; D442-F446 HydrophobicContact CB-CE2 3.84Å; D442-F446 VanDerWaalsContact O-CD2 3.31Å; D442-F446 WeakPolarHBondContact O-CD2 3.39Å; D442-F446 PolarHBondContact O-N 3.23Å; D442-F446 VanDerWaalsContact O-N 3.07Å
443	L	97.1	Very high	94	Very high	44 Å²	44	49.9 Å²	49.9	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-24	172.6	-52.2	-177.4	0	0	0	112.3	E235 V236 W439 Y440 L441 S448	E235-L443 HydrophobicContact CB-CD1 4.25Å; V236-L443 HydrophobicContact CG2-CD1 4.04Å; V236-L443 HydrophobicContact CG2-CD2 4.2Å; W439-L443 HydrophobicContact CZ3-CD1 4.43Å; Y440-L443 HydrophobicContact CD2-CD1 3.63Å; Y440-L443 HydrophobicContact CE2-CD1 4.02Å; Y440-L443 VanDerWaalsContact O-CB 3.3Å; Y440-L443 WeakPolarHBondContact O-CB 3.45Å; Y440-L443 PolarHBondContact O-N 3.46Å; L441-L443 PolarHBondContact O-N 2.78Å; L443-S448 PolarHBondContact O-OG 3.33Å
444	R	97.6	Very high	94.5	Very high	15 Å²	15	47.5 Å²	47.5	6%	0.057	26%	0.255	C	S	.	.	H	α-helix	trans	-94.1	-15.2	176.5	-78.4	65.5	177.2	164.5	3.8	113	E235 E418 E419 L421 L424 L441 D442 H451	E235-R444 IonicContact OE2-CZ 3.67Å; E235-R444 IonicContact OE2-NH1 3.42Å; E235-R444 PolarHBondContact OE2-NH1 3.33Å; E235-R444 IonicContact OE2-NH2 3.24Å; E235-R444 PolarHBondContact OE2-NH2 3.23Å; E418-R444 PolarHBondContact O-NE 3.01Å; E418-R444 PolarHBondContact O-NH2 3.35Å; E419-R444 WeakPolarHBondContact O-CG 3.24Å; L421-R444 HydrophobicContact CB-CB 4.09Å; L421-R444 HydrophobicContact CD1-CB 3.93Å; L424-R444 HydrophobicContact CD2-CG 4.17Å; L441-R444 WeakPolarHBondContact O-CA 3.34Å; L441-R444 WeakPolarHBondContact O-CB 3.38Å; L441-R444 PolarHBondContact O-N 3.32Å; D442-R444 PolarHBondContact O-N 2.76Å; D442-R444 VanDerWaalsContact O-N 3.13Å; R444-H451 PolarHBondContact NH2-CE1 2.87Å; R444-H451 PolarHBondContact NH2-NE2 3.29Å
445	R	96.9	Very high	95.2	Very high	93 Å²	93	45.4 Å²	45.4	35%	0.351	25%	0.248	S	C	.	.	H	α-helix	trans	-87.1	-36.8	178.1	-66.8	173.7	-173.3	142	1	112.5	L421 N438 L441 D442	L421-R445 HydrophobicContact CD1-CG 4.11Å; L421-R445 HydrophobicContact CD2-CG 3.73Å; N438-R445 PolarHBondContact OD1-NH1 2.96Å; N438-R445 PolarHBondContact OD1-NH2 3.25Å; N438-R445 VanDerWaalsContact OD1-NH2 3.14Å; L441-R445 PolarHBondContact O-N 3.07Å; D442-R445 PolarHBondContact O-N 3.02Å; D442-R445 WeakPolarHBondContact OD1-CD 3.39Å; D442-R445 IonicContact OD1-CZ 3.82Å; D442-R445 IonicContact OD1-NE 3.31Å; D442-R445 IonicContact OD1-NH1 2.75Å; D442-R445 PolarHBondContact OD1-NH1 2.86Å
446	F	96	Very high	95.8	Very high	162 Å²	162	38.2 Å²	38.2	71%	0.711	21%	0.209	S	C	*	.	S	Bend	trans	-111.2	77.8	-169.3	-54.2	-59.4	0	0	0	112.2	D442	D442-F446 HydrophobicContact CB-CD2 3.96Å; D442-F446 HydrophobicContact CB-CE2 3.84Å; D442-F446 VanDerWaalsContact O-CD2 3.31Å; D442-F446 WeakPolarHBondContact O-CD2 3.39Å; D442-F446 PolarHBondContact O-N 3.23Å; D442-F446 VanDerWaalsContact O-N 3.07Å
447	G	93.9	Very high	96.4	Very high	70 Å²	70	35.1 Å²	35.1	72%	0.722	19%	0.192	S	C	*	.	S	Bend	trans	77.6	42	175.3	0	0	0	0	0	113.8
448	S	96.1	Very high	96.8	Very high	42 Å²	42	34.9 Å²	34.9	29%	0.294	19%	0.191	S	C	.	.			trans	-62.3	150.6	176.8	-150.5	0	0	0	0	112.5	E419 L443	E419-S448 PolarHBondContact O-OG 3.13Å; L443-S448 PolarHBondContact O-OG 3.33Å
449	V	96.9	Very high	97.1	Very high	31 Å²	31	31.5 Å²	31.5	19%	0.188	17%	0.173	C	C	.	.			trans	-139.8	154.1	179.3	-61.6	0	0	0	0	109.3	F274 E419 H451	F274-V449 HydrophobicContact CD1-CB 4.16Å; F274-V449 HydrophobicContact CD1-CG1 4.07Å; F274-V449 HydrophobicContact CE1-CB 4.08Å; F274-V449 HydrophobicContact CE1-CG1 3.49Å; F274-V449 VanDerWaalsContact CE1-CG1 3.49Å; F274-V449 HydrophobicContact CZ-CG1 3.94Å; E419-V449 WeakPolarHBondContact CB-O 3.47Å; V449-H451 PolarHBondContact O-N 3.47Å; V449-H451 PolarHBondContact O-ND1 3.24Å
450	P	97.6	Very high	97.3	Very high	32 Å²	32	29.5 Å²	29.5	21%	0.208	17%	0.165	C	C	.	.			trans	-55.6	129.2	163.8	-23.6	34.7	0	0	0	109.7	F274 T275 E276	F274-P450 CarbonylContact C-O 3.57Å; F274-P450 WeakPolarHBondContact CA-O 3.11Å; F274-P450 PolarHBondContact N-O 3.35Å; T275-P450 PolarHBondContact N-O 3.43Å; T275-P450 CarbonylContact O-C 3.59Å; T275-P450 WeakPolarHBondContact O-CB 3.22Å; E276-P450 HydrophobicContact CG-CB 3.84Å; E276-P450 HydrophobicContact CG-CG 4.08Å
451	H	98.4	Very high	97.5	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	162.6	-180	60.8	-71.7	0	0	0	109.9	E235 E271 I272 T275 R417 R444 V449	E235-H451 IonicContact OE2-NE2 2.84Å; E235-H451 PolarHBondContact OE2-NE2 2.63Å; E271-H451 IonicContact OE1-CD2 3.94Å; E271-H451 PolarHBondContact OE1-CD2 3.04Å; I272-H451 VanDerWaalsContact O-CA 3.29Å; I272-H451 WeakPolarHBondContact O-CA 3.21Å; I272-H451 VanDerWaalsContact O-CB 3.31Å; I272-H451 WeakPolarHBondContact O-CB 3.48Å; T275-H451 PolarHBondContact O-N 3.26Å; R417-H451 VanDerWaalsContact CB-NE2 3.33Å; R417-H451 WeakPolarHBondContact CB-NE2 3.25Å; R417-H451 WeakPolarHBondContact CG-CD2 3.24Å; R417-H451 WeakPolarHBondContact CG-NE2 3.46Å; R417-H451 PolarHBondContact N-O 3.17Å; R444-H451 PolarHBondContact NH2-CE1 2.87Å; R444-H451 PolarHBondContact NH2-NE2 3.29Å; V449-H451 PolarHBondContact O-N 3.47Å; V449-H451 PolarHBondContact O-ND1 3.24Å
452	G	98.4	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	166.4	178.9	0	0	0	0	0	111.2	I272 S415	I272-G452 PolarHBondContact N-O 2.91Å; I272-G452 PolarHBondContact O-N 2.78Å; I272-G452 VanDerWaalsContact O-N 3.09Å; S415-G452 VanDerWaalsContact O-CA 3.25Å; S415-G452 WeakPolarHBondContact O-CA 3.5Å
453	G	98.4	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	178.5	179.6	0	0	0	0	0	112.5	A270 G414 S415 R417	A270-G453 CarbonylContact O-C 3.54Å; A270-G453 WeakPolarHBondContact O-CA 3.45Å; G414-G453 CarbonylContact C-O 3.57Å; G414-G453 WeakPolarHBondContact CA-O 3.4Å; S415-G453 PolarHBondContact N-O 3.21Å; S415-G453 PolarHBondContact O-N 3.31Å; R417-G453 VanDerWaalsContact NH2-CA 3.26Å; R417-G453 PolarHBondContact NH2-O 3.27Å
454	F	98.8	Very high	97.6	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.013	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.5	-176.8	66.1	-93.8	0	0	0	111.2	F179 E269 A270 V284 I285 V288 C412 G413 L456	F179-F454 HydrophobicContact CZ-CZ 4.23Å; E269-F454 CarbonylContact C-O 3.58Å; E269-F454 VanDerWaalsContact CA-O 3.23Å; E269-F454 WeakPolarHBondContact CA-O 3.24Å; A270-F454 HydrophobicContact CB-CD1 4.37Å; A270-F454 HydrophobicContact CB-CE1 3.81Å; A270-F454 HydrophobicContact CB-CE2 4.42Å; A270-F454 HydrophobicContact CB-CZ 3.84Å; A270-F454 PolarHBondContact N-O 3.4Å; A270-F454 PolarHBondContact O-N 3.08Å; V284-F454 HydrophobicContact CB-CE1 4.2Å; V284-F454 HydrophobicContact CG1-CE1 3.71Å; V284-F454 HydrophobicContact CG1-CZ 4.03Å; I285-F454 HydrophobicContact CD1-CB 3.86Å; I285-F454 HydrophobicContact CD1-CD1 4.08Å; I285-F454 HydrophobicContact CD1-CG 3.91Å; I285-F454 HydrophobicContact CG1-CB 4.06Å; I285-F454 HydrophobicContact CG1-CD1 3.51Å; I285-F454 HydrophobicContact CG1-CD2 3.84Å; I285-F454 HydrophobicContact CG1-CE1 3.79Å; I285-F454 HydrophobicContact CG1-CE2 4.1Å; I285-F454 HydrophobicContact CG1-CG 3.52Å; I285-F454 HydrophobicContact CG1-CZ 4.08Å; V288-F454 HydrophobicContact CG1-CE2 4.43Å; V288-F454 HydrophobicContact CG1-CZ 4.34Å; C412-F454 WeakPolarHBondContact SG-CD2 3.28Å; G413-F454 CarbonylContact O-C 3.58Å; G413-F454 WeakPolarHBondContact O-CA 3.45Å; F454-L456 HydrophobicContact CD2-CB 4.44Å; F454-L456 HydrophobicContact CE2-CB 4.43Å
455	G	98.5	Very high	97.6	Very high	10 Å²	10	24.8 Å²	24.8	10%	0.103	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130	168	0	0	0	0	0	110.4	V268 C412 G413	V268-G455 CarbonylContact O-C 3.53Å; C412-G455 WeakPolarHBondContact CA-O 3.42Å; C412-G455 PolarHBondContact SG-O 3.11Å; G413-G455 PolarHBondContact N-O 3.33Å; G413-G455 VanDerWaalsContact N-O 3.09Å; G413-G455 PolarHBondContact O-N 3.49Å
456	L	98.6	Very high	97.6	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.3	176.8	177.7	161.6	0	0	0	109.2	V268 V288 L411 C412 F454 F458	V268-L456 HydrophobicContact CB-CB 4.31Å; V268-L456 HydrophobicContact CB-CD2 4.43Å; V268-L456 HydrophobicContact CG2-CD2 4.39Å; V268-L456 PolarHBondContact N-O 2.82Å; V268-L456 PolarHBondContact O-N 3.45Å; V288-L456 HydrophobicContact CG1-CD1 4.16Å; L411-L456 HydrophobicContact CD1-CG 4.47Å; L411-L456 HydrophobicContact CG-CG 4.43Å; C412-L456 HydrophobicContact CB-CB 4.31Å; F454-L456 HydrophobicContact CD2-CB 4.44Å; F454-L456 HydrophobicContact CE2-CB 4.43Å; L456-F458 PolarHBondContact O-N 3.09Å
457	G	98.2	Very high	97.6	Very high	10 Å²	10	13.4 Å²	13.4	10%	0.103	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	109.7	178	0	0	0	0	0	111.4	L411 E459 R460 Y461	L411-G457 PolarHBondContact O-N 3.43Å; L411-G457 VanDerWaalsContact O-N 3.14Å; G457-E459 PolarHBondContact O-N 2.78Å; G457-R460 PolarHBondContact O-N 2.61Å; G457-R460 VanDerWaalsContact O-N 3.12Å; G457-Y461 PolarHBondContact O-N 3.14Å
458	F	98.7	Very high	97.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.4	-38.5	-172	-176.7	-128.5	0	0	0	112.8	R168 A171 T172 I175 F247 F266 V268 L456 Y461 L462	R168-F458 HydrophobicContact CG-CE1 3.7Å; R168-F458 HydrophobicContact CG-CZ 4.02Å; R168-F458 VanDerWaalsContact CZ-CE1 3.47Å; A171-F458 HydrophobicContact CB-CE2 3.83Å; A171-F458 HydrophobicContact CB-CZ 3.93Å; T172-F458 WeakPolarHBondContact OG1-CE1 3.35Å; T172-F458 VanDerWaalsContact OG1-CZ 3.26Å; T172-F458 WeakPolarHBondContact OG1-CZ 3.23Å; I175-F458 HydrophobicContact CD1-CD2 3.73Å; I175-F458 HydrophobicContact CD1-CE2 3.66Å; F247-F458 HydrophobicContact CE1-CD2 4.19Å; F247-F458 HydrophobicContact CE1-CE2 4.33Å; F247-F458 HydrophobicContact CE1-CG 4.35Å; F247-F458 HydrophobicContact CE2-CD1 4.22Å; F247-F458 HydrophobicContact CE2-CE1 4.47Å; F247-F458 HydrophobicContact CZ-CB 4.33Å; F247-F458 AromaticContact CZ-CD1 3.61Å; F247-F458 HydrophobicContact CZ-CD1 3.61Å; F247-F458 AromaticContact CZ-CD2 3.91Å; F247-F458 HydrophobicContact CZ-CD2 3.91Å; F247-F458 AromaticContact CZ-CE1 3.74Å; F247-F458 HydrophobicContact CZ-CE1 3.74Å; F247-F458 HydrophobicContact CZ-CE2 4.06Å; F247-F458 AromaticContact CZ-CG 3.69Å; F247-F458 HydrophobicContact CZ-CG 3.69Å; F247-F458 AromaticContact CZ-CZ 3.97Å; F247-F458 HydrophobicContact CZ-CZ 3.97Å; F266-F458 HydrophobicContact CB-CB 3.98Å; F266-F458 HydrophobicContact CB-CD1 4.15Å; F266-F458 VanDerWaalsContact O-CB 3.23Å; F266-F458 WeakPolarHBondContact O-CB 3.29Å; F266-F458 PolarHBondContact O-N 3.23Å; V268-F458 HydrophobicContact CG2-CB 4.42Å; L456-F458 PolarHBondContact O-N 3.09Å; F458-Y461 HydrophobicContact CD2-CD1 4.09Å; F458-Y461 HydrophobicContact CE2-CD1 4.09Å; F458-Y461 HydrophobicContact CE2-CE1 4.46Å; F458-Y461 WeakPolarHBondContact O-CB 3.04Å; F458-Y461 PolarHBondContact O-N 3.47Å; F458-L462 HydrophobicContact CD1-CD1 4.38Å; F458-L462 HydrophobicContact CE1-CD1 4.03Å; F458-L462 HydrophobicContact CE2-CD1 4.5Å; F458-L462 HydrophobicContact CE2-CG 4.4Å; F458-L462 HydrophobicContact CZ-CD1 4.09Å; F458-L462 HydrophobicContact CZ-CG 4.43Å; F458-L462 WeakPolarHBondContact O-CG 3.49Å; F458-L462 PolarHBondContact O-N 3.11Å; F458-L462 VanDerWaalsContact O-N 3.07Å
459	E	98.4	Very high	97.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-43	172.8	-74.6	67.5	-140	0	0	111.6	R168 L262 F265 F266 G457 Y461 L462 Q463 I471 V474 I475	R168-E459 IonicContact CZ-OE1 2.89Å; R168-E459 IonicContact NH1-OE1 2.83Å; R168-E459 PolarHBondContact NH1-OE1 2.83Å; R168-E459 IonicContact NH2-OE1 3.65Å; R168-E459 PolarHBondContact NH2-OE1 2.97Å; L262-E459 HydrophobicContact CD1-CB 4.29Å; L262-E459 HydrophobicContact CD1-CG 3.82Å; F265-E459 WeakPolarHBondContact CB-OE2 3.12Å; F266-E459 PolarHBondContact N-OE2 2.87Å; G457-E459 PolarHBondContact O-N 2.78Å; E459-Y461 VanDerWaalsContact C-N 3.28Å; E459-Y461 PolarHBondContact O-N 3.45Å; E459-L462 PolarHBondContact O-N 3.44Å; E459-L462 VanDerWaalsContact O-N 3.17Å; E459-Q463 WeakPolarHBondContact O-CG 3.33Å; E459-Q463 PolarHBondContact O-N 3.15Å; E459-I471 HydrophobicContact CB-CD1 3.84Å; E459-I471 HydrophobicContact CB-CG1 3.62Å; E459-I471 HydrophobicContact CG-CG1 4.46Å; E459-V474 HydrophobicContact CB-CG2 3.75Å; E459-V474 HydrophobicContact CG-CG2 4.04Å; E459-V474 WeakPolarHBondContact O-CG2 2.9Å; E459-I475 HydrophobicContact CG-CB 4.03Å; E459-I475 HydrophobicContact CG-CD1 4.44Å
460	R	97.8	Very high	97.3	Very high	43 Å²	43	13.7 Å²	13.7	16%	0.162	8%	0.08	C	C	.	.	H	α-helix	trans	-62.1	-36.8	176.1	-72.5	-167.9	-179.2	171.9	2	111.6	V408 E410 L411 G457 Q463 C464 I471	V408-R460 HydrophobicContact CG1-CB 4.07Å; V408-R460 HydrophobicContact CG1-CG 4.04Å; E410-R460 WeakPolarHBondContact O-CD 3.46Å; E410-R460 PolarHBondContact O-NH1 3.3Å; E410-R460 IonicContact OE2-NH1 3.94Å; E410-R460 PolarHBondContact OE2-NH1 3.32Å; L411-R460 HydrophobicContact CD1-CB 3.71Å; G457-R460 PolarHBondContact O-N 2.61Å; G457-R460 VanDerWaalsContact O-N 3.12Å; R460-Q463 WeakPolarHBondContact O-CB 3.43Å; R460-Q463 PolarHBondContact O-N 3.36Å; R460-C464 WeakPolarHBondContact O-CB 3.29Å; R460-C464 PolarHBondContact O-N 2.86Å; R460-I471 HydrophobicContact CG-CD1 4.03Å
461	Y	98.5	Very high	97.3	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-59.7	-49	172.5	165.1	-99.5	0	0	0	111.5	A171 F289 A292 T293 G457 F458 E459 Q463 C464 V465	A171-Y461 HydrophobicContact CB-CE1 3.93Å; F289-Y461 AromaticContact CD2-CD2 3.87Å; F289-Y461 HydrophobicContact CD2-CD2 3.87Å; F289-Y461 HydrophobicContact CD2-CE2 4.02Å; F289-Y461 HydrophobicContact CE2-CD2 4.03Å; F289-Y461 HydrophobicContact CE2-CE2 4.2Å; A292-Y461 HydrophobicContact CB-CE2 4.45Å; A292-Y461 WeakPolarHBondContact CB-OH 3.09Å; A292-Y461 PolarHBondContact O-OH 3.02Å; T293-Y461 WeakPolarHBondContact CA-OH 3.42Å; T293-Y461 PolarHBondContact N-OH 2.78Å; T293-Y461 VanDerWaalsContact N-OH 3.11Å; T293-Y461 WeakPolarHBondContact OG1-CE2 3.38Å; T293-Y461 PolarHBondContact OG1-OH 2.68Å; G457-Y461 PolarHBondContact O-N 3.14Å; F458-Y461 HydrophobicContact CD2-CD1 4.09Å; F458-Y461 HydrophobicContact CE2-CD1 4.09Å; F458-Y461 HydrophobicContact CE2-CE1 4.46Å; F458-Y461 WeakPolarHBondContact O-CB 3.04Å; F458-Y461 PolarHBondContact O-N 3.47Å; E459-Y461 VanDerWaalsContact C-N 3.28Å; E459-Y461 PolarHBondContact O-N 3.45Å; Y461-Q463 VanDerWaalsContact C-N 3.34Å; Y461-Q463 PolarHBondContact O-N 3.38Å; Y461-C464 WeakPolarHBondContact O-CB 3.3Å; Y461-C464 PolarHBondContact O-N 3.21Å; Y461-C464 VanDerWaalsContact O-N 3.16Å; Y461-V465 HydrophobicContact CD2-CG2 4.09Å; Y461-V465 HydrophobicContact CE1-CG2 4.32Å; Y461-V465 HydrophobicContact CE2-CG2 3.61Å; Y461-V465 WeakPolarHBondContact O-CG2 3.31Å; Y461-V465 PolarHBondContact O-N 3.31Å
462	L	98.4	Very high	97.1	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-64	-38.5	177.5	-67.6	171.3	0	0	0	112.2	I167 R168 A171 F458 E459 C464 L466 V474	I167-L462 HydrophobicContact CG2-CD2 4.19Å; R168-L462 HydrophobicContact CB-CD1 4.04Å; R168-L462 HydrophobicContact CG-CD1 3.83Å; A171-L462 HydrophobicContact CB-CD2 3.97Å; F458-L462 HydrophobicContact CD1-CD1 4.38Å; F458-L462 HydrophobicContact CE1-CD1 4.03Å; F458-L462 HydrophobicContact CE2-CD1 4.5Å; F458-L462 HydrophobicContact CE2-CG 4.4Å; F458-L462 HydrophobicContact CZ-CD1 4.09Å; F458-L462 HydrophobicContact CZ-CG 4.43Å; F458-L462 WeakPolarHBondContact O-CG 3.49Å; F458-L462 PolarHBondContact O-N 3.11Å; F458-L462 VanDerWaalsContact O-N 3.07Å; E459-L462 PolarHBondContact O-N 3.44Å; E459-L462 VanDerWaalsContact O-N 3.17Å; L462-C464 VanDerWaalsContact C-N 3.32Å; L462-L466 VanDerWaalsContact O-CB 3.3Å; L462-L466 WeakPolarHBondContact O-CB 3.34Å; L462-L466 WeakPolarHBondContact O-CG 3.19Å; L462-L466 PolarHBondContact O-N 3.41Å; L462-V474 HydrophobicContact CB-CB 3.92Å; L462-V474 HydrophobicContact CB-CG1 4.13Å; L462-V474 HydrophobicContact CB-CG2 4.45Å; L462-V474 HydrophobicContact CD1-CB 4.46Å
463	Q	96.7	Very high	97	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.028	7%	0.073	C	C	.	.	H	α-helix	trans	-59.3	-45.1	172.5	-72.8	-165.9	-77.6	0	0	111.3	V408 E459 R460 Y461 G467 V468 D469 I471 V474	V408-Q463 HydrophobicContact CG2-CB 4.09Å; E459-Q463 WeakPolarHBondContact O-CG 3.33Å; E459-Q463 PolarHBondContact O-N 3.15Å; R460-Q463 WeakPolarHBondContact O-CB 3.43Å; R460-Q463 PolarHBondContact O-N 3.36Å; Y461-Q463 VanDerWaalsContact C-N 3.34Å; Y461-Q463 PolarHBondContact O-N 3.38Å; Q463-G467 CarbonylContact O-C 3.5Å; Q463-G467 WeakPolarHBondContact O-CA 3.14Å; Q463-G467 PolarHBondContact O-N 2.82Å; Q463-V468 PolarHBondContact NE2-O 3.37Å; Q463-V468 PolarHBondContact O-N 3.01Å; Q463-V468 VanDerWaalsContact O-N 3.08Å; Q463-D469 PolarHBondContact NE2-O 3.1Å; Q463-I471 VanDerWaalsContact CD-CA 3.41Å; Q463-I471 HydrophobicContact CG-CB 4.43Å; Q463-I471 HydrophobicContact CG-CG1 4.34Å; Q463-V474 HydrophobicContact CG-CB 4.48Å; Q463-V474 HydrophobicContact CG-CG1 3.91Å; Q463-V474 HydrophobicContact CG-CG2 3.75Å
464	C	97	Very high	97	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	7%	0.073	C	C	.	.	H	α-helix	trans	-63.3	-48.8	179.4	-178.7	0	0	0	0	111.9	H315 V405 V408 R460 Y461 L462 L466	H315-C464 PolarHBondContact CE1-O 3.39Å; H315-C464 PolarHBondContact NE2-O 3.36Å; V405-C464 HydrophobicContact CG2-CB 3.88Å; V405-C464 VanDerWaalsContact CG2-SG 3.58Å; V408-C464 HydrophobicContact CG2-CB 4.06Å; R460-C464 WeakPolarHBondContact O-CB 3.29Å; R460-C464 PolarHBondContact O-N 2.86Å; Y461-C464 WeakPolarHBondContact O-CB 3.3Å; Y461-C464 PolarHBondContact O-N 3.21Å; Y461-C464 VanDerWaalsContact O-N 3.16Å; L462-C464 VanDerWaalsContact C-N 3.32Å; C464-L466 PolarHBondContact O-N 3.33Å
465	V	97.6	Very high	96.9	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-68.2	-35	-178.1	174	0	0	0	0	112.2	T293 H308 V319 Y461	T293-V465 HydrophobicContact CG2-CG1 4.25Å; T293-V465 HydrophobicContact CG2-CG2 4.03Å; H308-V465 PolarHBondContact NE2-O 2.92Å; V319-V465 WeakPolarHBondContact CG2-O 3.33Å; Y461-V465 HydrophobicContact CD2-CG2 4.09Å; Y461-V465 HydrophobicContact CE1-CG2 4.32Å; Y461-V465 HydrophobicContact CE2-CG2 3.61Å; Y461-V465 WeakPolarHBondContact O-CG2 3.31Å; Y461-V465 PolarHBondContact O-N 3.31Å
466	L	97.4	Very high	96.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-94.2	-13.2	-177.8	-58.9	178.8	0	0	0	113.8	L164 I167 V304 F307 T312 L462 C464 V468	L164-L466 HydrophobicContact CD1-CD1 3.73Å; I167-L466 HydrophobicContact CD1-CD1 4.34Å; I167-L466 HydrophobicContact CD1-CD2 3.81Å; I167-L466 HydrophobicContact CG2-CD1 4.35Å; I167-L466 HydrophobicContact CG2-CD2 4.33Å; V304-L466 HydrophobicContact CG2-CD2 4.36Å; F307-L466 HydrophobicContact CB-CD2 4.24Å; F307-L466 HydrophobicContact CD1-CB 4.04Å; F307-L466 HydrophobicContact CD1-CD1 4.3Å; F307-L466 HydrophobicContact CD2-CD2 4.28Å; F307-L466 HydrophobicContact CE1-CD1 4.22Å; F307-L466 HydrophobicContact CE2-CD1 4.45Å; F307-L466 HydrophobicContact CG-CB 4.33Å; F307-L466 HydrophobicContact CG-CD1 4.47Å; F307-L466 HydrophobicContact CG-CD2 4.12Å; F307-L466 HydrophobicContact CZ-CD1 4.32Å; T312-L466 WeakPolarHBondContact CB-O 3.49Å; T312-L466 WeakPolarHBondContact CG2-O 3.31Å; T312-L466 PolarHBondContact OG1-O 2.93Å; L462-L466 VanDerWaalsContact O-CB 3.3Å; L462-L466 WeakPolarHBondContact O-CB 3.34Å; L462-L466 WeakPolarHBondContact O-CG 3.19Å; L462-L466 PolarHBondContact O-N 3.41Å; C464-L466 PolarHBondContact O-N 3.33Å; L466-V468 VanDerWaalsContact C-N 3.28Å; L466-V468 HydrophobicContact CB-CG2 3.77Å
467	G	95.4	Very high	96.6	Very high	16 Å²	16	18.2 Å²	18.2	17%	0.165	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	15.4	-175.1	0	0	0	0	0	113.9	T312 H315 Q463 D469	T312-G467 WeakPolarHBondContact CG2-O 3.4Å; H315-G467 PolarHBondContact CD2-N 3.26Å; H315-G467 VanDerWaalsContact CD2-N 3.3Å; H315-G467 WeakPolarHBondContact NE2-CA 3.5Å; H315-G467 PolarHBondContact NE2-N 3.03Å; Q463-G467 CarbonylContact O-C 3.5Å; Q463-G467 WeakPolarHBondContact O-CA 3.14Å; Q463-G467 PolarHBondContact O-N 2.82Å; G467-D469 PolarHBondContact O-N 3.18Å
468	V	94.7	Very high	96.5	Very high	6 Å²	6	18.6 Å²	18.6	4%	0.036	10%	0.098	C	C	.	.			trans	-75.6	121.2	-171.1	174.5	0	0	0	0	110.8	F307 Q463 L466 N470 D473 V474	F307-V468 HydrophobicContact CD1-CG2 3.76Å; F307-V468 HydrophobicContact CE1-CG2 3.7Å; Q463-V468 PolarHBondContact NE2-O 3.37Å; Q463-V468 PolarHBondContact O-N 3.01Å; Q463-V468 VanDerWaalsContact O-N 3.08Å; L466-V468 VanDerWaalsContact C-N 3.28Å; L466-V468 HydrophobicContact CB-CG2 3.77Å; V468-N470 VanDerWaalsContact C-N 3.32Å; V468-N470 PolarHBondContact O-N 3.23Å; V468-D473 HydrophobicContact CG1-CB 3.79Å; V468-V474 HydrophobicContact CB-CG1 4.04Å; V468-V474 HydrophobicContact CG1-CG1 4.11Å; V468-V474 HydrophobicContact CG2-CG1 4.4Å
469	D	91.7	Very high	96.4	Very high	126 Å²	126	20.3 Å²	20.3	67%	0.674	11%	0.105	S	C	*	.	S	Bend	trans	-63.8	-29.5	-174.6	-68.9	-30	0	0	0	115.4	Q463 G467	Q463-D469 PolarHBondContact NE2-O 3.1Å; G467-D469 PolarHBondContact O-N 3.18Å
470	N	95.3	Very high	96.2	Very high	16 Å²	16	22.1 Å²	22.1	9%	0.086	11%	0.113	C	C	.	.			trans	-118.9	121.6	-172.1	-166.4	-27.4	0	0	0	111.4	R259 V468 K472 D473	R259-N470 HydrophobicContact CB-CB 4.42Å; V468-N470 VanDerWaalsContact C-N 3.32Å; V468-N470 PolarHBondContact O-N 3.23Å; N470-K472 PolarHBondContact O-N 3.38Å; N470-K472 VanDerWaalsContact O-N 3.09Å; N470-K472 WeakPolarHBondContact OD1-CB 3.35Å; N470-K472 WeakPolarHBondContact OD1-CG 3.48Å; N470-K472 PolarHBondContact OD1-N 3.46Å; N470-D473 WeakPolarHBondContact O-CB 3.39Å; N470-D473 PolarHBondContact O-N 3.03Å
471	I	96.1	Very high	95.9	Very high	6 Å²	6	21 Å²	21	3%	0.031	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-62.8	-23.8	-174.4	-160.3	168.9	0	0	0	112.3	R259 R260 L262 E459 R460 Q463 D473 V474	R259-I471 WeakPolarHBondContact O-CB 3.46Å; R259-I471 WeakPolarHBondContact O-CG2 3.49Å; R259-I471 PolarHBondContact O-N 3.02Å; R260-I471 VanDerWaalsContact O-CD1 3.32Å; R260-I471 WeakPolarHBondContact O-CD1 3.22Å; L262-I471 HydrophobicContact CD1-CD1 4.19Å; L262-I471 HydrophobicContact CD1-CG1 3.95Å; L262-I471 HydrophobicContact CD1-CG2 4.34Å; L262-I471 HydrophobicContact CD2-CG2 4.02Å; L262-I471 HydrophobicContact CG-CD1 4.33Å; L262-I471 HydrophobicContact CG-CG1 4.25Å; L262-I471 HydrophobicContact CG-CG2 3.76Å; E459-I471 HydrophobicContact CB-CD1 3.84Å; E459-I471 HydrophobicContact CB-CG1 3.62Å; E459-I471 HydrophobicContact CG-CG1 4.46Å; R460-I471 HydrophobicContact CG-CD1 4.03Å; Q463-I471 VanDerWaalsContact CD-CA 3.41Å; Q463-I471 HydrophobicContact CG-CB 4.43Å; Q463-I471 HydrophobicContact CG-CG1 4.34Å; I471-D473 PolarHBondContact O-N 3.45Å; I471-V474 HydrophobicContact CG1-CG2 4.14Å; I471-V474 WeakPolarHBondContact O-CG2 2.92Å; I471-V474 PolarHBondContact O-N 3.43Å
472	K	95.7	Very high	95.6	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.035	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-68.1	-15.2	177	-59.2	172.1	174.7	108.1	0	113	R155 Q257 S258 L262 N470 P478 F480	R155-K472 PolarHBondContact NH1-O 2.91Å; Q257-K472 PolarHBondContact O-NZ 2.62Å; S258-K472 PolarHBondContact O-NZ 3.33Å; L262-K472 HydrophobicContact CD2-CG 4.03Å; N470-K472 PolarHBondContact O-N 3.38Å; N470-K472 VanDerWaalsContact O-N 3.09Å; N470-K472 WeakPolarHBondContact OD1-CB 3.35Å; N470-K472 WeakPolarHBondContact OD1-CG 3.48Å; N470-K472 PolarHBondContact OD1-N 3.46Å; K472-P478 HydrophobicContact CB-CB 3.95Å; K472-P478 HydrophobicContact CB-CG 4.06Å; K472-P478 HydrophobicContact CG-CB 4.1Å; K472-F480 HydrophobicContact CD-CD1 3.86Å; K472-F480 HydrophobicContact CD-CE1 3.8Å; K472-F480 HydrophobicContact CD-CG 4.29Å; K472-F480 HydrophobicContact CD-CZ 4.18Å; K472-F480 HydrophobicContact CG-CD1 4.25Å; K472-F480 HydrophobicContact CG-CE1 4.47Å
473	D	95.9	Very high	95.2	Very high	10 Å²	10	29.1 Å²	29.1	5%	0.053	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-98	6.7	-180	-64.1	-40.4	0	0	0	112.7	L145 R149 R155 L164 V468 N470 I471	L145-D473 HydrophobicContact CD1-CB 4.25Å; R149-D473 WeakPolarHBondContact CD-OD1 3.33Å; R149-D473 WeakPolarHBondContact CG-OD1 3.48Å; R149-D473 IonicContact NE-OD1 3.64Å; R149-D473 PolarHBondContact NE-OD1 3.02Å; R149-D473 IonicContact NE-OD2 3.16Å; R155-D473 IonicContact NH1-OD1 3.9Å; L164-D473 WeakPolarHBondContact CD2-O 3.24Å; V468-D473 HydrophobicContact CG1-CB 3.79Å; N470-D473 WeakPolarHBondContact O-CB 3.39Å; N470-D473 PolarHBondContact O-N 3.03Å; I471-D473 PolarHBondContact O-N 3.45Å
474	V	96.9	Very high	95	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-118.2	4.6	175.8	-62.1	0	0	0	0	114.9	L164 R168 E459 L462 Q463 V468 I471	L164-V474 HydrophobicContact CD1-CB 4.1Å; L164-V474 HydrophobicContact CD1-CG1 4.14Å; R168-V474 PolarHBondContact NH1-O 3.38Å; R168-V474 VanDerWaalsContact NH1-O 3.14Å; E459-V474 HydrophobicContact CB-CG2 3.75Å; E459-V474 HydrophobicContact CG-CG2 4.04Å; E459-V474 WeakPolarHBondContact O-CG2 2.9Å; L462-V474 HydrophobicContact CB-CB 3.92Å; L462-V474 HydrophobicContact CB-CG1 4.13Å; L462-V474 HydrophobicContact CB-CG2 4.45Å; L462-V474 HydrophobicContact CD1-CB 4.46Å; Q463-V474 HydrophobicContact CG-CB 4.48Å; Q463-V474 HydrophobicContact CG-CG1 3.91Å; Q463-V474 HydrophobicContact CG-CG2 3.75Å; V468-V474 HydrophobicContact CB-CG1 4.04Å; V468-V474 HydrophobicContact CG1-CG1 4.11Å; V468-V474 HydrophobicContact CG2-CG1 4.4Å; I471-V474 HydrophobicContact CG1-CG2 4.14Å; I471-V474 WeakPolarHBondContact O-CG2 2.92Å; I471-V474 PolarHBondContact O-N 3.43Å
475	I	97.2	Very high	94.5	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	21%	0.212	C	C	.	.	S	Bend	trans	-127.1	143.9	176.6	-170.4	171.3	0	0	0	110.4	R155 F161 L262 E459 F477 P478	R155-I475 PolarHBondContact NH2-O 3.28Å; F161-I475 WeakPolarHBondContact CZ-O 2.99Å; L262-I475 HydrophobicContact CD1-CD1 4.36Å; L262-I475 HydrophobicContact CD1-CG2 4.04Å; L262-I475 HydrophobicContact CD2-CG2 4.47Å; E459-I475 HydrophobicContact CG-CB 4.03Å; E459-I475 HydrophobicContact CG-CD1 4.44Å; I475-F477 PolarHBondContact O-N 2.72Å; I475-P478 HydrophobicContact CG2-CB 3.69Å
476	P	95.2	Very high	92.9	Very high	38 Å²	38	46.7 Å²	46.7	25%	0.247	25%	0.251	C	S	.	.	S	Bend	trans	-58.3	-42	-176	-25.8	33.8	0	0	0	115.9	R155 L165	R155-P476 PolarHBondContact NE-O 3.32Å; R155-P476 PolarHBondContact NH2-O 3.46Å; L165-P476 HydrophobicContact CD2-CB 4.17Å; L165-P476 HydrophobicContact CD2-CG 3.65Å
477	F	96.4	Very high	92.7	Very high	86 Å²	86	49.1 Å²	49.1	38%	0.377	26%	0.264	S	S	.	.	S	Bend	trans	-140.8	88.9	-177.3	-61.7	-75.8	0	0	0	108.8	P152 I475 L486	P152-F477 HydrophobicContact CB-CD1 3.85Å; P152-F477 HydrophobicContact CB-CE1 4Å; I475-F477 PolarHBondContact O-N 2.72Å; F477-L486 HydrophobicContact CB-CD2 4.43Å; F477-L486 HydrophobicContact CD1-CD2 3.45Å; F477-L486 VanDerWaalsContact CD1-CD2 3.45Å; F477-L486 HydrophobicContact CD2-CD2 4.44Å; F477-L486 HydrophobicContact CE1-CD2 3.69Å; F477-L486 HydrophobicContact CG-CD2 3.86Å; F477-L486 HydrophobicContact CZ-CD2 4.29Å
478	P	95.6	Very high	92.6	Very high	17 Å²	17	50.8 Å²	50.8	11%	0.11	27%	0.269	C	S	.	.			trans	-67.9	137.2	-174.1	27.2	-35.3	0	0	0	111.2	R155 L262 K472 I475 F480	R155-P478 VanDerWaalsContact NH2-CD 3.28Å; L262-P478 HydrophobicContact CD2-CB 3.81Å; K472-P478 HydrophobicContact CB-CB 3.95Å; K472-P478 HydrophobicContact CB-CG 4.06Å; K472-P478 HydrophobicContact CG-CB 4.1Å; I475-P478 HydrophobicContact CG2-CB 3.69Å; P478-F480 HydrophobicContact CB-CD1 4.28Å; P478-F480 HydrophobicContact CG-CE1 4.48Å
479	R	96.1	Very high	92.5	Very high	36 Å²	36	53.3 Å²	53.3	14%	0.136	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-105.3	133.7	163.9	-57.8	-61.4	176	-119.5	5.7	109.3	L262 A263 E264 L485	L262-R479 CarbonylContact C-O 3.41Å; L262-R479 WeakPolarHBondContact CA-O 3.07Å; L262-R479 WeakPolarHBondContact CD2-O 3.44Å; A263-R479 HydrophobicContact CB-CB 4.24Å; A263-R479 PolarHBondContact N-O 2.79Å; E264-R479 HydrophobicContact CB-CB 3.84Å; E264-R479 HydrophobicContact CB-CG 3.9Å; R479-L485 PolarHBondContact NH1-O 3.02Å
480	F	94.3	Very high	92.5	Very high	40 Å²	40	49 Å²	49	18%	0.175	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-157.6	170.3	176.7	57.9	-85.8	0	0	0	108.5	K472 P478 H482 S483	K472-F480 HydrophobicContact CD-CD1 3.86Å; K472-F480 HydrophobicContact CD-CE1 3.8Å; K472-F480 HydrophobicContact CD-CG 4.29Å; K472-F480 HydrophobicContact CD-CZ 4.18Å; K472-F480 HydrophobicContact CG-CD1 4.25Å; K472-F480 HydrophobicContact CG-CE1 4.47Å; P478-F480 HydrophobicContact CB-CD1 4.28Å; P478-F480 HydrophobicContact CG-CE1 4.48Å; F480-H482 PolarHBondContact O-N 2.9Å; F480-S483 VanDerWaalsContact CE1-CB 3.45Å; F480-S483 VanDerWaalsContact CE1-OG 3.26Å; F480-S483 WeakPolarHBondContact CE1-OG 3.39Å; F480-S483 VanDerWaalsContact CZ-OG 3.31Å; F480-S483 WeakPolarHBondContact CZ-OG 3.33Å; F480-S483 PolarHBondContact N-O 3.18Å; F480-S483 CarbonylContact O-C 3.45Å; F480-S483 PolarHBondContact O-N 3.43Å; F480-S483 VanDerWaalsContact O-O 3.1Å
481	S	92.6	Very high	92.3	Very high	20 Å²	20	51.1 Å²	51.1	14%	0.14	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	133.4	-178.3	-175.4	0	0	0	0	111.8	N255 S483	N255-S481 WeakPolarHBondContact OD1-CB 3.11Å; N255-S481 PolarHBondContact OD1-OG 3.37Å; S481-S483 PolarHBondContact O-N 3.11Å
482	H	91.3	Very high	92.1	Very high	154 Å²	154	54.1 Å²	54.1	71%	0.713	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	16.5	-175	-47.3	-78.4	0	0	0	116.3	N255 Q257 F480	N255-H482 PolarHBondContact OD1-NE2 3.07Å; Q257-H482 PolarHBondContact NE2-CD2 3.44Å; F480-H482 PolarHBondContact O-N 2.9Å
483	S	91.1	Very high	91.8	Very high	20 Å²	20	57.4 Å²	57.4	14%	0.14	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-143	105.8	178.3	179.1	0	0	0	0	112.7	F480 S481	F480-S483 VanDerWaalsContact CE1-CB 3.45Å; F480-S483 VanDerWaalsContact CE1-OG 3.26Å; F480-S483 WeakPolarHBondContact CE1-OG 3.39Å; F480-S483 VanDerWaalsContact CZ-OG 3.31Å; F480-S483 WeakPolarHBondContact CZ-OG 3.33Å; F480-S483 PolarHBondContact N-O 3.18Å; F480-S483 CarbonylContact O-C 3.45Å; F480-S483 PolarHBondContact O-N 3.43Å; F480-S483 VanDerWaalsContact O-O 3.1Å; S481-S483 PolarHBondContact O-N 3.11Å
484	C	91.6	Very high	91.5	Very high	102 Å²	102	61 Å²	61	69%	0.689	32%	0.323	S	S	*	.			trans	-121.1	36	168.6	-163	0	0	0	0	110.7	L486	C484-L486 PolarHBondContact O-N 3.29Å
485	L	85.7	Confident	91.1	Very high	117 Å²	117	66.1 Å²	66.1	61%	0.613	35%	0.349	S	S	*	.			trans	-63.3	130.2	-175.2	-67.5	173.2	0	0	0	111.7	R479	R479-L485 PolarHBondContact NH1-O 3.02Å
486	L	65.8	Low	90.5	Very high	158 Å²	158	71.6 Å²	71.6	83%	0.827	38%	0.379	S	S	*	.			trans	-148.6	0	162.4	-95.9	176.4	0	0	0	109.6	F477 C484	F477-L486 HydrophobicContact CB-CD2 4.43Å; F477-L486 HydrophobicContact CD1-CD2 3.45Å; F477-L486 VanDerWaalsContact CD1-CD2 3.45Å; F477-L486 HydrophobicContact CD2-CD2 4.44Å; F477-L486 HydrophobicContact CE1-CD2 3.69Å; F477-L486 HydrophobicContact CG-CD2 3.86Å; F477-L486 HydrophobicContact CZ-CD2 4.29Å; C484-L486 PolarHBondContact O-N 3.29Å

Retrieved 486 of 486 residues in 1125.9 ms (Link to these results)

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