A0A087YE43_POEFO Loading...

Phospholipase A2 group IVC

AlphaFold DB , UniProt , Accession A0A087YE43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 581 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	31	Very low	225 Å²	225	149.4 Å²	149.4	100%	1.108	82%	0.817	S	S	*	*				0	119	0	-111.7	163.4	88.3	0	0	107.4
2	Q	33.7	Very low	32	Very low	170 Å²	170	143.3 Å²	143.3	79%	0.794	82%	0.815	S	S	*	*			trans	48.7	133.8	150.8	-69.7	177.7	-22.7	0	0	119.7
3	T	30.5	Very low	32.2	Very low	115 Å²	115	144.5 Å²	144.5	71%	0.706	82%	0.817	S	S	*	*			cis	-173.5	125.1	-5.5	10.7	0	0	0	0	106.8
4	H	30.9	Very low	32.7	Very low	144 Å²	144	138.9 Å²	138.9	67%	0.667	81%	0.806	S	S	*	*				58.9	127	129.5	-86.3	-30.1	0	0	0	126
5	R	29.1	Very low	33	Very low	220 Å²	220	142.3 Å²	142.3	83%	0.83	81%	0.808	S	S	*	*				76.2	140.5	128.7	-68.3	173.1	-165.2	-154.6	3.6	117
6	G	27.7	Very low	33.3	Very low	76 Å²	76	140.6 Å²	140.6	78%	0.784	81%	0.806	S	S	*	*			cis	178.2	150.7	5	0	0	0	0	0	109.8
7	N	33.8	Very low	33.4	Very low	164 Å²	164	141.2 Å²	141.2	88%	0.877	80%	0.798	S	S	*	*			trans	-60.6	148.6	171.3	-110.7	-9.1	0	0	0	113.1
8	T	31.2	Very low	33.6	Very low	149 Å²	149	145.5 Å²	145.5	91%	0.914	80%	0.799	S	S	*	*			trans	167.8	136.4	134.9	47.2	0	0	0	0	106.7
9	G	28.7	Very low	33.8	Very low	65 Å²	65	144.8 Å²	144.8	67%	0.67	79%	0.794	S	S	*	*			cis	157.2	165.1	10.8	0	0	0	0	0	107.7
10	F	29.3	Very low	34	Very low	215 Å²	215	144.6 Å²	144.6	94%	0.943	79%	0.788	S	S	*	*			trans	74.9	143.6	174.3	-69.2	-92.9	0	0	0	116.9
11	S	31.1	Very low	34.3	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	78%	0.775	S	S	*	*			cis	-168.6	165.3	1.4	39.7	0	0	0	0	109.1	L13	S11-L13 PolarHBondContact O-N 3.31Å
12	G	42.8	Very low	34.6	Very low	77 Å²	77	134.1 Å²	134.1	79%	0.794	74%	0.739	S	S	*	*			trans	-55.2	129.7	-174.8	0	0	0	0	0	116
13	L	34.8	Very low	34.9	Very low	159 Å²	159	135.7 Å²	135.7	83%	0.832	74%	0.738	S	S	*	*			trans	-157.8	20.2	165.6	-112.3	149.7	0	0	0	112.4	S11	S11-L13 PolarHBondContact O-N 3.31Å
14	G	38.5	Very low	35.3	Very low	65 Å²	65	134.9 Å²	134.9	67%	0.67	73%	0.733	S	S	*	*	S	Bend	trans	-97.7	-7.9	-169.3	0	0	0	0	0	117
15	F	37.8	Very low	35.7	Very low	191 Å²	191	130.4 Å²	130.4	84%	0.838	72%	0.721	S	S	*	*	S	Bend	trans	-117.1	-5.5	-168.1	-119.5	-91.3	0	0	0	116.2
16	C	37.8	Very low	36	Very low	114 Å²	114	125.9 Å²	125.9	77%	0.77	71%	0.712	S	S	*	*	S	Bend	trans	-98.6	-8	173.7	-69.7	0	0	0	0	114
17	F	35.5	Very low	36.3	Very low	151 Å²	151	129.3 Å²	129.3	66%	0.662	71%	0.708	S	S	*	*	S	Bend	trans	-84.1	-22.4	-178.7	-129.5	-96.1	0	0	0	113.2	I21	F17-I21 HydrophobicContact CD1-CD1 3.85Å; F17-I21 HydrophobicContact CD1-CG1 4.49Å; F17-I21 HydrophobicContact CE1-CD1 4.33Å; F17-I21 WeakPolarHBondContact O-CD1 3.22Å; F17-I21 WeakPolarHBondContact O-CG1 3.42Å
18	W	35.3	Very low	36.3	Very low	219 Å²	219	124.1 Å²	124.1	83%	0.83	69%	0.688	S	S	*	*	H	α-helix	trans	-82.6	-20.3	-177.4	-117.4	54.3	0	0	0	114.6	S22	W18-S22 PolarHBondContact O-OG 2.81Å
19	L	38.3	Very low	36.5	Very low	133 Å²	133	121.6 Å²	121.6	70%	0.696	67%	0.672	S	S	*	*	H	α-helix	trans	-90.9	-14.3	177.3	-86.5	156.1	0	0	0	114	S22	L19-S22 PolarHBondContact O-OG 3.26Å
20	M	37.5	Very low	36.7	Very low	139 Å²	139	124.5 Å²	124.5	69%	0.685	67%	0.672	S	S	*	*	H	α-helix	trans	-88.7	-28.8	172.2	-83	-82.6	-83.8	0	0	112.5	V24	M20-V24 WeakPolarHBondContact O-CG2 3.38Å; M20-V24 PolarHBondContact O-N 3.05Å
21	I	40.8	Very low	36.8	Very low	97 Å²	97	121 Å²	121	50%	0.497	66%	0.664	S	S	.	*	H	α-helix	trans	-72.7	-30.3	177.3	-66.2	171.6	0	0	0	111.6	F17 A25	F17-I21 HydrophobicContact CD1-CD1 3.85Å; F17-I21 HydrophobicContact CD1-CG1 4.49Å; F17-I21 HydrophobicContact CE1-CD1 4.33Å; F17-I21 WeakPolarHBondContact O-CD1 3.22Å; F17-I21 WeakPolarHBondContact O-CG1 3.42Å; I21-A25 VanDerWaalsContact O-CB 3.29Å; I21-A25 WeakPolarHBondContact O-CB 3.27Å; I21-A25 PolarHBondContact O-N 3.32Å
22	S	42.5	Very low	37	Very low	53 Å²	53	124 Å²	124	37%	0.371	67%	0.669	S	S	.	*	H	α-helix	trans	-76	-24	179.9	39.7	0	0	0	0	114.3	W18 L19 L26	W18-S22 PolarHBondContact O-OG 2.81Å; L19-S22 PolarHBondContact O-OG 3.26Å; S22-L26 WeakPolarHBondContact O-CD1 3.18Å; S22-L26 PolarHBondContact O-N 3.19Å
23	R	38.3	Very low	36.7	Very low	203 Å²	203	129.3 Å²	129.3	77%	0.766	67%	0.673	S	S	*	*	H	α-helix	trans	-85.4	-32.8	173.3	-84.8	-173.6	173.5	-173.1	-1.9	113.7	A25 L26 Q27	R23-A25 VanDerWaalsContact C-N 3.33Å; R23-L26 PolarHBondContact O-N 3Å; R23-Q27 PolarHBondContact O-N 3.49Å
24	V	40.1	Very low	36.9	Very low	99 Å²	99	124.5 Å²	124.5	60%	0.6	66%	0.661	S	S	*	*	H	α-helix	trans	-70.6	-33.1	172.5	178.4	0	0	0	0	110.7	M20 A28	M20-V24 WeakPolarHBondContact O-CG2 3.38Å; M20-V24 PolarHBondContact O-N 3.05Å; V24-A28 WeakPolarHBondContact O-CB 3.38Å; V24-A28 PolarHBondContact O-N 3.36Å; V24-A28 VanDerWaalsContact O-N 3.12Å
25	A	39.2	Very low	36.5	Very low	50 Å²	50	128.4 Å²	128.4	41%	0.413	67%	0.667	S	S	.	*	H	α-helix	trans	-67.8	-37.5	173.6	0	0	0	0	0	113	I21 R23 A28 V29	I21-A25 VanDerWaalsContact O-CB 3.29Å; I21-A25 WeakPolarHBondContact O-CB 3.27Å; I21-A25 PolarHBondContact O-N 3.32Å; R23-A25 VanDerWaalsContact C-N 3.33Å; A25-A28 PolarHBondContact O-N 2.66Å; A25-V29 VanDerWaalsContact O-CG2 3.26Å; A25-V29 WeakPolarHBondContact O-CG2 3.49Å; A25-V29 PolarHBondContact O-N 3.47Å
26	L	34.8	Very low	36.4	Very low	124 Å²	124	127.9 Å²	127.9	65%	0.649	67%	0.669	S	S	*	*	H	α-helix	trans	-73.8	-32	177	-101.5	91.5	0	0	0	113.6	S22 R23 A28 V29 D30	S22-L26 WeakPolarHBondContact O-CD1 3.18Å; S22-L26 PolarHBondContact O-N 3.19Å; R23-L26 PolarHBondContact O-N 3Å; L26-A28 VanDerWaalsContact C-N 3.33Å; L26-V29 PolarHBondContact O-N 3.24Å; L26-D30 PolarHBondContact O-N 3.11Å
27	Q	34.4	Very low	36.3	Very low	148 Å²	148	128.2 Å²	128.2	69%	0.692	67%	0.668	S	S	*	*	H	α-helix	trans	-76.3	-18.9	173	-92.4	179.2	-28.5	0	0	113.8	R23	R23-Q27 PolarHBondContact O-N 3.49Å
28	A	34.4	Very low	36.4	Very low	55 Å²	55	125.1 Å²	125.1	46%	0.455	67%	0.671	S	S	.	*	H	α-helix	trans	-81	-22.3	171.9	0	0	0	0	0	112.7	V24 A25 L26	V24-A28 WeakPolarHBondContact O-CB 3.38Å; V24-A28 PolarHBondContact O-N 3.36Å; V24-A28 VanDerWaalsContact O-N 3.12Å; A25-A28 PolarHBondContact O-N 2.66Å; L26-A28 VanDerWaalsContact C-N 3.33Å
29	V	35.5	Very low	36.8	Very low	97 Å²	97	119.4 Å²	119.4	59%	0.588	66%	0.664	S	S	*	*	H	α-helix	trans	-83.2	-35.3	178.1	175.3	0	0	0	0	111.4	A25 L26 N31 M32	A25-V29 VanDerWaalsContact O-CG2 3.26Å; A25-V29 WeakPolarHBondContact O-CG2 3.49Å; A25-V29 PolarHBondContact O-N 3.47Å; L26-V29 PolarHBondContact O-N 3.24Å; V29-N31 VanDerWaalsContact C-N 3.33Å; V29-N31 PolarHBondContact O-N 2.93Å; V29-M32 PolarHBondContact O-N 3.02Å
30	D	32	Very low	37.6	Very low	125 Å²	125	121.4 Å²	121.4	67%	0.668	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-14.1	175.6	-74.5	-16.4	0	0	0	114	L26	L26-D30 PolarHBondContact O-N 3.11Å
31	N	31.6	Very low	39	Very low	142 Å²	142	119.7 Å²	119.7	76%	0.759	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	6.8	170.7	-88.8	-7.5	0	0	0	113.2	V29	V29-N31 VanDerWaalsContact C-N 3.33Å; V29-N31 PolarHBondContact O-N 2.93Å
32	M	34.8	Very low	41.1	Very low	164 Å²	164	117 Å²	117	81%	0.808	65%	0.648	S	S	*	*	S	Bend	trans	-101.8	13.6	174.2	-93.5	-174.4	173.4	0	0	113.5	V29	V29-M32 PolarHBondContact O-N 3.02Å
33	E	37.8	Very low	43.3	Very low	187 Å²	187	114.6 Å²	114.6	87%	0.874	63%	0.631	S	S	*	*	S	Bend	trans	-110.1	13.1	170.5	-83	-171.7	160.6	0	0	113.5
34	G	37.7	Very low	45.6	Very low	58 Å²	58	108.5 Å²	108.5	60%	0.598	61%	0.611	S	S	*	*	S	Bend	trans	-140.1	41.4	-173.2	0	0	0	0	0	114.3
35	N	31.6	Very low	48.1	Very low	148 Å²	148	108.9 Å²	108.9	79%	0.791	61%	0.606	S	S	*	*			trans	-150.5	74.9	158.5	-109.3	-7.4	0	0	0	107.9	T37	N35-T37 PolarHBondContact O-N 3.32Å
36	M	34.6	Very low	50.3	Low	179 Å²	179	108.5 Å²	108.5	88%	0.882	60%	0.601	S	S	*	*			trans	-56.5	94.5	144.9	-80.8	-176.7	53.7	0	0	105.8	A38	M36-A38 VanDerWaalsContact C-N 3.33Å; M36-A38 PolarHBondContact O-N 3.34Å
37	T	36.8	Very low	52.9	Low	121 Å²	121	106.3 Å²	106.3	74%	0.742	60%	0.596	S	S	*	*			trans	-49.4	111.2	151.8	42.5	0	0	0	0	104.5	N35 S39	N35-T37 PolarHBondContact O-N 3.32Å; T37-S39 PolarHBondContact O-N 3.5Å
38	A	36.7	Very low	55.7	Low	87 Å²	87	102.8 Å²	102.8	72%	0.719	59%	0.587	S	S	*	*			trans	-47.7	112.2	170	0	0	0	0	0	105.7	M36 E40	M36-A38 VanDerWaalsContact C-N 3.33Å; M36-A38 PolarHBondContact O-N 3.34Å; A38-E40 PolarHBondContact O-N 3.04Å
39	S	43.7	Very low	58.6	Low	98 Å²	98	101.5 Å²	101.5	69%	0.685	57%	0.572	S	S	*	*			trans	-54.8	115.6	172	52.3	0	0	0	0	105	T37 E41	T37-S39 PolarHBondContact O-N 3.5Å; S39-E41 PolarHBondContact O-N 2.9Å
40	E	54.5	Low	61.5	Low	176 Å²	176	98.3 Å²	98.3	82%	0.822	55%	0.554	S	S	*	*			trans	-50.5	118.9	167.6	-80.9	176.2	154.5	0	0	106.1	A38 T42	A38-E40 PolarHBondContact O-N 3.04Å; E40-T42 PolarHBondContact O-N 2.79Å
41	E	67.3	Low	64.5	Low	103 Å²	103	96.5 Å²	96.5	48%	0.481	56%	0.556	S	S	.	*			trans	-63.1	104	180	-70.1	-167.6	142.1	0	0	107	S39 I43 H44 R254	S39-E41 PolarHBondContact O-N 2.9Å; E41-I43 PolarHBondContact O-N 3.11Å; E41-I43 VanDerWaalsContact O-N 3.16Å; E41-H44 PolarHBondContact O-CE1 3.16Å; E41-R254 IonicContact OE1-CZ 3.52Å; E41-R254 VanDerWaalsContact OE1-CZ 3.28Å; E41-R254 IonicContact OE1-NH1 3.21Å; E41-R254 PolarHBondContact OE1-NH1 2.75Å; E41-R254 IonicContact OE1-NH2 3.96Å; E41-R254 PolarHBondContact OE1-NH2 2.8Å; E41-R254 IonicContact OE2-NH2 2.71Å; E41-R254 PolarHBondContact OE2-NH2 2.84Å
42	T	84.3	Confident	67.6	Low	40 Å²	40	90.6 Å²	90.6	25%	0.245	53%	0.529	C	S	.	.	S	Bend	trans	-64	-17.1	-177.2	53.5	0	0	0	0	113.4	E40 R254	E40-T42 PolarHBondContact O-N 2.79Å; T42-R254 PolarHBondContact OG1-O 3.36Å
43	I	89.1	Confident	70.5	Confident	2 Å²	2	82.8 Å²	82.8	1%	0.01	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.7	170.2	-53.9	176.1	0	0	0	108.3	E41 F240 F241 V242 F251 R254 F408 L409	E41-I43 PolarHBondContact O-N 3.11Å; E41-I43 VanDerWaalsContact O-N 3.16Å; I43-F240 HydrophobicContact CG2-CD1 4.12Å; I43-F241 CarbonylContact C-O 3.58Å; I43-F241 WeakPolarHBondContact CA-O 3.28Å; I43-V242 HydrophobicContact CG1-CG1 3.93Å; I43-F251 HydrophobicContact CD1-CD1 4.32Å; I43-F251 HydrophobicContact CG1-CD1 4.36Å; I43-F251 HydrophobicContact CG1-CE1 4.3Å; I43-R254 HydrophobicContact CD1-CB 4.1Å; I43-R254 HydrophobicContact CD1-CG 4.43Å; I43-F408 HydrophobicContact CD1-CD2 4.19Å; I43-F408 WeakPolarHBondContact CD1-O 3.26Å; I43-F408 HydrophobicContact CG1-CD2 4.26Å; I43-F408 HydrophobicContact CG2-CD2 4.18Å; I43-F408 HydrophobicContact CG2-CE2 4.25Å; I43-L409 HydrophobicContact CG2-CD2 4.3Å
44	H	86.8	Confident	73.4	Confident	75 Å²	75	77.4 Å²	77.4	35%	0.347	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.6	178.3	-56	-71.5	0	0	0	110.3	E41 F240 F241	E41-H44 PolarHBondContact O-CE1 3.16Å; H44-F240 WeakPolarHBondContact O-CA 3.05Å; H44-F241 PolarHBondContact N-O 3.44Å; H44-F241 PolarHBondContact O-N 3.47Å
45	H	91.6	Very high	76.2	Confident	107 Å²	107	80.3 Å²	80.3	50%	0.495	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	96.4	169.4	-175.8	-144.7	0	0	0	109.2	L238 N239 F240	H45-L238 PolarHBondContact CD2-O 3.29Å; H45-N239 CarbonylContact C-O 3.27Å; H45-N239 VanDerWaalsContact CA-O 3.25Å; H45-N239 WeakPolarHBondContact CA-O 3.5Å; H45-N239 PolarHBondContact CD2-O 2.87Å; H45-F240 HydrophobicContact CB-CD1 3.77Å; H45-F240 HydrophobicContact CB-CE1 3.48Å; H45-F240 VanDerWaalsContact CB-CE1 3.48Å; H45-F240 HydrophobicContact CB-CZ 4.37Å; H45-F240 AromaticContact CD2-CD1 3.9Å; H45-F240 AromaticContact CD2-CE1 3.54Å; H45-F240 AromaticContact CD2-CZ 3.63Å; H45-F240 AromaticContact CG-CD1 3.97Å; H45-F240 AromaticContact CG-CE1 3.4Å; H45-F240 AromaticContact CG-CZ 3.8Å; H45-F240 AromaticContact NE2-CZ 3.92Å
46	S	87.3	Confident	79.3	Confident	43 Å²	43	73.4 Å²	73.4	30%	0.301	43%	0.427	S	S	.	.			trans	-149.5	133.3	-173.1	179.9	0	0	0	0	112.4	S48 N239	S46-S48 VanDerWaalsContact C-N 3.29Å; S46-S48 PolarHBondContact OG-N 2.95Å; S46-S48 PolarHBondContact OG-O 3.34Å; S46-N239 PolarHBondContact N-O 3.1Å; S46-N239 WeakPolarHBondContact O-CB 3.38Å
47	S	88.4	Confident	82.3	Confident	78 Å²	78	65 Å²	65	55%	0.545	39%	0.385	S	S	.	.	S	Bend	trans	-83.8	-4.7	169.6	58.2	0	0	0	0	113.4	K447	S47-K447 WeakPolarHBondContact O-CB 3.26Å
48	S	93.5	Very high	85.1	Confident	73 Å²	73	62.9 Å²	62.9	51%	0.51	37%	0.369	S	S	.	.	S	Bend	trans	-101.8	163.3	178.8	-61.1	0	0	0	0	111.2	S46	S46-S48 VanDerWaalsContact C-N 3.29Å; S46-S48 PolarHBondContact OG-N 2.95Å; S46-S48 PolarHBondContact OG-O 3.34Å
49	L	95.4	Very high	88	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.147	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-58.7	143.4	172.4	-62.1	-176.5	0	0	0	111.4	E53 Q54 K447 R448	L49-E53 HydrophobicContact CD1-CG 4.33Å; L49-E53 HydrophobicContact CD2-CG 4.08Å; L49-E53 WeakPolarHBondContact CD2-OE1 3.39Å; L49-Q54 HydrophobicContact CB-CB 4.4Å; L49-K447 HydrophobicContact CD2-CD 4.46Å; L49-K447 HydrophobicContact CD2-CG 3.8Å; L49-K447 WeakPolarHBondContact CD2-O 3.2Å; L49-K447 WeakPolarHBondContact CG-O 3.36Å; L49-R448 HydrophobicContact CD2-CG 3.95Å
50	C	95.3	Very high	90.6	Very high	30 Å²	30	58.4 Å²	58.4	20%	0.203	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.3	157.3	164.7	69.5	0	0	0	0	110.3	G52 E53 Q54 E232	C50-G52 PolarHBondContact O-N 2.9Å; C50-E53 PolarHBondContact O-N 3.47Å; C50-E53 PolarHBondContact SG-N 3.17Å; C50-Q54 PolarHBondContact O-N 3.36Å; C50-E232 VanDerWaalsContact CB-OE2 3.31Å; C50-E232 WeakPolarHBondContact CB-OE2 3.5Å
51	A	95.4	Very high	92.6	Very high	87 Å²	87	52.6 Å²	52.6	72%	0.719	29%	0.291	S	S	*	.	H	α-helix	trans	-58.6	-35.6	-176.4	0	0	0	0	0	112.7	Q55	A51-Q55 WeakPolarHBondContact O-CB 3.24Å; A51-Q55 PolarHBondContact O-N 2.73Å
52	G	96.1	Very high	94.1	Very high	18 Å²	18	53.6 Å²	53.6	19%	0.186	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-47	178.5	0	0	0	0	0	113.2	C50 Q55 Y56 H231	C50-G52 PolarHBondContact O-N 2.9Å; G52-Q55 PolarHBondContact O-N 3.4Å; G52-Y56 WeakPolarHBondContact O-CB 3.38Å; G52-Y56 PolarHBondContact O-N 3.13Å; G52-H231 VanDerWaalsContact C-CE1 3.46Å; G52-H231 VanDerWaalsContact CA-CD2 3.47Å; G52-H231 WeakPolarHBondContact CA-CD2 3.46Å; G52-H231 PolarHBondContact O-CE1 2.82Å; G52-H231 PolarHBondContact O-NE2 3.17Å
53	E	97.3	Very high	94.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-44.7	174.8	-174.3	167.2	151.1	0	0	110.5	L49 C50 Q55 Y56 I57 Y116 Y205 R448	L49-E53 HydrophobicContact CD1-CG 4.33Å; L49-E53 HydrophobicContact CD2-CG 4.08Å; L49-E53 WeakPolarHBondContact CD2-OE1 3.39Å; C50-E53 PolarHBondContact O-N 3.47Å; C50-E53 PolarHBondContact SG-N 3.17Å; E53-Q55 PolarHBondContact O-N 3.49Å; E53-Y56 WeakPolarHBondContact O-CB 3.29Å; E53-Y56 PolarHBondContact O-N 3.01Å; E53-I57 HydrophobicContact CG-CG1 4.25Å; E53-I57 WeakPolarHBondContact O-CB 3.44Å; E53-I57 WeakPolarHBondContact O-CG1 3.41Å; E53-I57 PolarHBondContact O-N 3.05Å; E53-Y116 WeakPolarHBondContact OE1-CE1 3.47Å; E53-Y116 PolarHBondContact OE1-OH 3.37Å; E53-Y205 HydrophobicContact CB-CE1 4.44Å; E53-Y205 HydrophobicContact CG-CD1 4.22Å; E53-Y205 HydrophobicContact CG-CE1 3.65Å; E53-Y205 HydrophobicContact CG-CE2 4.28Å; E53-Y205 VanDerWaalsContact OE2-CE1 3.28Å; E53-Y205 WeakPolarHBondContact OE2-CE1 3.22Å; E53-Y205 PolarHBondContact OE2-OH 3.41Å; E53-R448 IonicContact OE1-CZ 3.04Å; E53-R448 IonicContact OE1-NE 3.71Å; E53-R448 PolarHBondContact OE1-NE 3.41Å; E53-R448 IonicContact OE1-NH2 3.17Å; E53-R448 PolarHBondContact OE1-NH2 2.78Å; E53-R448 IonicContact OE2-NH2 2.76Å; E53-R448 PolarHBondContact OE2-NH2 3.47Å
54	Q	97.2	Very high	95.1	Very high	74 Å²	74	53.7 Å²	53.7	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-48.8	177.1	-173.4	62.7	60.7	0	0	111.9	L49 C50 Y56 I57 D58	L49-Q54 HydrophobicContact CB-CB 4.4Å; C50-Q54 PolarHBondContact O-N 3.36Å; Q54-Y56 VanDerWaalsContact C-N 3.34Å; Q54-Y56 PolarHBondContact O-N 3.05Å; Q54-I57 PolarHBondContact O-N 3.31Å; Q54-D58 PolarHBondContact NE2-OD1 2.93Å; Q54-D58 PolarHBondContact NE2-OD2 3.45Å; Q54-D58 PolarHBondContact O-N 3.16Å
55	Q	97.3	Very high	95.7	Very high	119 Å²	119	51.3 Å²	51.3	56%	0.556	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-37.3	178.9	-173	-176	32.1	0	0	112.6	A51 G52 E53 I57 R59	A51-Q55 WeakPolarHBondContact O-CB 3.24Å; A51-Q55 PolarHBondContact O-N 2.73Å; G52-Q55 PolarHBondContact O-N 3.4Å; E53-Q55 PolarHBondContact O-N 3.49Å; Q55-I57 VanDerWaalsContact C-N 3.34Å; Q55-R59 WeakPolarHBondContact O-CG 3.4Å; Q55-R59 PolarHBondContact O-N 3.12Å; Q55-R59 PolarHBondContact O-NE 3.38Å
56	Y	97.7	Very high	96	Very high	4 Å²	4	52 Å²	52	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-46.3	174.9	-169	-78.5	0	0	0	110.8	G52 E53 Q54 R59 R60 A201 N203 Y205	G52-Y56 WeakPolarHBondContact O-CB 3.38Å; G52-Y56 PolarHBondContact O-N 3.13Å; E53-Y56 WeakPolarHBondContact O-CB 3.29Å; E53-Y56 PolarHBondContact O-N 3.01Å; Q54-Y56 VanDerWaalsContact C-N 3.34Å; Q54-Y56 PolarHBondContact O-N 3.05Å; Y56-R59 PolarHBondContact O-N 3.2Å; Y56-R60 PolarHBondContact O-N 2.91Å; Y56-A201 HydrophobicContact CD1-CB 4.15Å; Y56-A201 HydrophobicContact CD2-CB 4.42Å; Y56-A201 HydrophobicContact CE1-CB 3.93Å; Y56-A201 HydrophobicContact CE2-CB 4.21Å; Y56-A201 HydrophobicContact CG-CB 4.4Å; Y56-N203 PolarHBondContact OH-O 3.09Å; Y56-Y205 AromaticContact CD1-CD2 3.5Å; Y56-Y205 HydrophobicContact CD1-CD2 3.5Å; Y56-Y205 VanDerWaalsContact CD1-CD2 3.5Å; Y56-Y205 HydrophobicContact CD1-CE2 4.41Å; Y56-Y205 HydrophobicContact CD1-CG 4.18Å; Y56-Y205 HydrophobicContact CD2-CD2 4.18Å; Y56-Y205 AromaticContact CE1-CD2 3.82Å; Y56-Y205 HydrophobicContact CE1-CD2 3.82Å; Y56-Y205 HydrophobicContact CE1-CG 4.37Å; Y56-Y205 HydrophobicContact CE2-CD2 4.46Å; Y56-Y205 AromaticContact CG-CD2 3.69Å; Y56-Y205 HydrophobicContact CG-CD2 3.69Å; Y56-Y205 HydrophobicContact CG-CE2 4.18Å
57	I	96.7	Very high	96.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-39.4	-176.2	-66.1	-66.7	0	0	0	111.8	E53 Q54 Q55 R59 R60 K61 L115 Y116 Y205	E53-I57 HydrophobicContact CG-CG1 4.25Å; E53-I57 WeakPolarHBondContact O-CB 3.44Å; E53-I57 WeakPolarHBondContact O-CG1 3.41Å; E53-I57 PolarHBondContact O-N 3.05Å; Q54-I57 PolarHBondContact O-N 3.31Å; Q55-I57 VanDerWaalsContact C-N 3.34Å; I57-R59 VanDerWaalsContact C-N 3.3Å; I57-R59 PolarHBondContact O-N 3.22Å; I57-R60 PolarHBondContact O-N 3.13Å; I57-R60 VanDerWaalsContact O-N 3.15Å; I57-K61 HydrophobicContact CG2-CD 4.49Å; I57-K61 HydrophobicContact CG2-CG 4.47Å; I57-K61 WeakPolarHBondContact O-CG 3.3Å; I57-K61 PolarHBondContact O-N 3.01Å; I57-L115 HydrophobicContact CD1-CB 4.46Å; I57-L115 HydrophobicContact CG2-CD1 4.31Å; I57-L115 HydrophobicContact CG2-CD2 4.47Å; I57-Y116 HydrophobicContact CD1-CD1 4.18Å; I57-Y116 HydrophobicContact CD1-CD2 4.46Å; I57-Y116 HydrophobicContact CD1-CE1 3.5Å; I57-Y116 VanDerWaalsContact CD1-CE1 3.5Å; I57-Y116 HydrophobicContact CD1-CE2 3.83Å; I57-Y116 WeakPolarHBondContact CD1-OH 3.36Å; I57-Y116 HydrophobicContact CG1-CE1 4.1Å; I57-Y116 VanDerWaalsContact CG1-OH 3.32Å; I57-Y116 WeakPolarHBondContact CG1-OH 3.32Å; I57-Y205 HydrophobicContact CD1-CG 4.43Å
58	D	96.4	Very high	97	Very high	77 Å²	77	46.6 Å²	46.6	41%	0.412	25%	0.25	S	C	.	.	H	α-helix	trans	-59.2	-43.3	175.3	-67.2	-20.7	0	0	0	111.2	Q54 K61	Q54-D58 PolarHBondContact NE2-OD1 2.93Å; Q54-D58 PolarHBondContact NE2-OD2 3.45Å; Q54-D58 PolarHBondContact O-N 3.16Å; D58-K61 PolarHBondContact O-N 3.13Å
59	R	97	Very high	97.2	Very high	92 Å²	92	46.3 Å²	46.3	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-66.5	-41	173.9	-68.2	-177.7	-67.4	-179.1	2.8	112.4	Q55 Y56 I57 K61 E62 A201	Q55-R59 WeakPolarHBondContact O-CG 3.4Å; Q55-R59 PolarHBondContact O-N 3.12Å; Q55-R59 PolarHBondContact O-NE 3.38Å; Y56-R59 PolarHBondContact O-N 3.2Å; I57-R59 VanDerWaalsContact C-N 3.3Å; I57-R59 PolarHBondContact O-N 3.22Å; R59-K61 VanDerWaalsContact C-N 3.31Å; R59-K61 PolarHBondContact O-N 2.74Å; R59-E62 PolarHBondContact O-N 2.97Å; R59-A201 HydrophobicContact CB-CB 3.87Å
60	R	97.4	Very high	97.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-35.3	179.4	-174.8	65.8	-173.8	163.2	-2.5	111.8	Y56 I57 E62 I63 V64 D112 L114 L115 A201 T202	Y56-R60 PolarHBondContact O-N 2.91Å; I57-R60 PolarHBondContact O-N 3.13Å; I57-R60 VanDerWaalsContact O-N 3.15Å; R60-E62 PolarHBondContact O-N 3.11Å; R60-I63 WeakPolarHBondContact O-CB 3.4Å; R60-I63 PolarHBondContact O-N 2.93Å; R60-V64 HydrophobicContact CG-CG2 4.28Å; R60-V64 PolarHBondContact O-N 3.11Å; R60-D112 IonicContact CZ-OD1 3.13Å; R60-D112 IonicContact NH1-OD1 3.79Å; R60-D112 IonicContact NH2-OD1 3.19Å; R60-D112 PolarHBondContact NH2-OD1 3.26Å; R60-L114 PolarHBondContact NE-O 3.45Å; R60-L115 HydrophobicContact CB-CD2 4.03Å; R60-L115 HydrophobicContact CG-CD2 3.69Å; R60-A201 HydrophobicContact CB-CB 4.14Å; R60-A201 WeakPolarHBondContact CD-O 3.23Å; R60-A201 PolarHBondContact NH1-O 3.16Å; R60-T202 PolarHBondContact NH1-O 3.37Å
61	K	97.6	Very high	97.4	Very high	53 Å²	53	51.1 Å²	51.1	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-32	178.7	-80	175.9	174.9	-176.5	0	113	I57 D58 R59 I63 V64 L65 V80 H82 L115	I57-K61 HydrophobicContact CG2-CD 4.49Å; I57-K61 HydrophobicContact CG2-CG 4.47Å; I57-K61 WeakPolarHBondContact O-CG 3.3Å; I57-K61 PolarHBondContact O-N 3.01Å; D58-K61 PolarHBondContact O-N 3.13Å; R59-K61 VanDerWaalsContact C-N 3.31Å; R59-K61 PolarHBondContact O-N 2.74Å; K61-I63 VanDerWaalsContact C-N 3.32Å; K61-I63 PolarHBondContact O-N 3.23Å; K61-V64 PolarHBondContact O-N 2.9Å; K61-L65 VanDerWaalsContact O-CB 3.27Å; K61-L65 WeakPolarHBondContact O-CB 3.31Å; K61-L65 PolarHBondContact O-N 2.68Å; K61-V80 HydrophobicContact CB-CG1 4.29Å; K61-V80 HydrophobicContact CG-CG1 4.04Å; K61-H82 WeakPolarHBondContact CE-NE2 3.3Å; K61-H82 PolarHBondContact NZ-NE2 3.04Å; K61-L115 HydrophobicContact CG-CD1 4.43Å; K61-L115 HydrophobicContact CG-CD2 3.93Å
62	E	97.4	Very high	97.5	Very high	125 Å²	125	54.6 Å²	54.6	58%	0.584	27%	0.268	S	S	*	.	H	α-helix	trans	-62.1	-41.4	174	-62.1	179.1	-168.5	0	0	111.6	R59 R60 Q66	R59-E62 PolarHBondContact O-N 2.97Å; R60-E62 PolarHBondContact O-N 3.11Å; E62-Q66 WeakPolarHBondContact O-CG 3.34Å; E62-Q66 PolarHBondContact O-N 3.13Å; E62-Q66 VanDerWaalsContact O-N 3.14Å
63	I	97.5	Very high	97.5	Very high	43 Å²	43	53.9 Å²	53.9	22%	0.221	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-44.2	177	-63	165.3	0	0	0	110.4	R60 K61 L65 Q66 A67 D112 A201	R60-I63 WeakPolarHBondContact O-CB 3.4Å; R60-I63 PolarHBondContact O-N 2.93Å; K61-I63 VanDerWaalsContact C-N 3.32Å; K61-I63 PolarHBondContact O-N 3.23Å; I63-L65 VanDerWaalsContact C-N 3.3Å; I63-L65 PolarHBondContact O-N 3.47Å; I63-Q66 PolarHBondContact O-N 2.71Å; I63-A67 WeakPolarHBondContact O-CB 3.48Å; I63-A67 PolarHBondContact O-N 3.21Å; I63-D112 HydrophobicContact CG2-CB 4.04Å; I63-A201 WeakPolarHBondContact CD1-O 3.48Å
64	V	98.4	Very high	97.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-43.3	176.4	175.2	0	0	0	0	110.9	R60 K61 Q66 A67 L68 V80 D112 L115	R60-V64 HydrophobicContact CG-CG2 4.28Å; R60-V64 PolarHBondContact O-N 3.11Å; K61-V64 PolarHBondContact O-N 2.9Å; V64-Q66 PolarHBondContact O-N 2.88Å; V64-A67 PolarHBondContact O-N 3.37Å; V64-L68 HydrophobicContact CG1-CD1 3.77Å; V64-L68 HydrophobicContact CG1-CG 4.19Å; V64-L68 WeakPolarHBondContact O-CB 3.44Å; V64-L68 VanDerWaalsContact O-CG 3.27Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 3.15Å; V64-V80 HydrophobicContact CB-CG1 4.01Å; V64-V80 HydrophobicContact CG1-CG1 3.61Å; V64-D112 WeakPolarHBondContact CA-O 3.17Å; V64-D112 WeakPolarHBondContact CG2-O 3.32Å; V64-L115 HydrophobicContact CB-CD2 4.49Å; V64-L115 HydrophobicContact CG2-CD2 3.59Å; V64-L115 HydrophobicContact CG2-CG 4.12Å
65	L	98.4	Very high	96.9	Very high	25 Å²	25	57.9 Å²	57.9	13%	0.131	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-47.1	176.6	175.9	60.2	0	0	0	111.5	K61 I63 N69 C75 E77 V80	K61-L65 VanDerWaalsContact O-CB 3.27Å; K61-L65 WeakPolarHBondContact O-CB 3.31Å; K61-L65 PolarHBondContact O-N 2.68Å; I63-L65 VanDerWaalsContact C-N 3.3Å; I63-L65 PolarHBondContact O-N 3.47Å; L65-N69 WeakPolarHBondContact CD1-ND2 3.39Å; L65-N69 WeakPolarHBondContact O-CB 3.46Å; L65-N69 PolarHBondContact O-N 2.78Å; L65-N69 VanDerWaalsContact O-N 3.08Å; L65-N69 PolarHBondContact O-ND2 2.76Å; L65-N69 VanDerWaalsContact O-ND2 3.12Å; L65-C75 HydrophobicContact CD1-CB 3.94Å; L65-C75 VanDerWaalsContact CD1-O 3.32Å; L65-C75 WeakPolarHBondContact CD1-O 3.12Å; L65-E77 HydrophobicContact CD2-CG 3.66Å; L65-V80 HydrophobicContact CB-CG2 3.87Å; L65-V80 HydrophobicContact CD1-CG2 4.12Å; L65-V80 HydrophobicContact CG-CG2 4.46Å
66	Q	97.6	Very high	96.7	Very high	121 Å²	121	56 Å²	56	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-62.6	-45	177.1	-70	175.2	17.6	0	0	111.4	E62 I63 V64 N69 N70	E62-Q66 WeakPolarHBondContact O-CG 3.34Å; E62-Q66 PolarHBondContact O-N 3.13Å; E62-Q66 VanDerWaalsContact O-N 3.14Å; I63-Q66 PolarHBondContact O-N 2.71Å; V64-Q66 PolarHBondContact O-N 2.88Å; Q66-N69 PolarHBondContact O-N 3.13Å; Q66-N70 WeakPolarHBondContact O-CB 3.41Å; Q66-N70 PolarHBondContact O-N 2.87Å; Q66-N70 PolarHBondContact O-ND2 2.97Å
67	A	98.2	Very high	96.4	Very high	8 Å²	8	63.1 Å²	63.1	7%	0.066	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-46.4	178.4	0	0	0	0	0	112.2	I63 V64 N69 N70 L71 D112 T113	I63-A67 WeakPolarHBondContact O-CB 3.48Å; I63-A67 PolarHBondContact O-N 3.21Å; V64-A67 PolarHBondContact O-N 3.37Å; A67-N69 PolarHBondContact O-N 3.2Å; A67-N70 PolarHBondContact O-N 3.31Å; A67-L71 WeakPolarHBondContact O-CG 3.39Å; A67-L71 PolarHBondContact O-N 3.49Å; A67-D112 HydrophobicContact CB-CB 3.72Å; A67-T113 HydrophobicContact CB-CG2 4.02Å
68	L	98.4	Very high	96	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-43.3	177.2	-71.2	171.3	0	0	0	111.9	V64 L71 Q72 I73 C75 P81 T113	V64-L68 HydrophobicContact CG1-CD1 3.77Å; V64-L68 HydrophobicContact CG1-CG 4.19Å; V64-L68 WeakPolarHBondContact O-CB 3.44Å; V64-L68 VanDerWaalsContact O-CG 3.27Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 3.15Å; L68-L71 CarbonylContact O-C 3.56Å; L68-L71 PolarHBondContact O-N 3.29Å; L68-Q72 PolarHBondContact O-N 2.82Å; L68-I73 CarbonylContact C-O 3.46Å; L68-I73 HydrophobicContact CB-CB 4.29Å; L68-I73 HydrophobicContact CD2-CB 4.32Å; L68-I73 HydrophobicContact CD2-CD1 3.98Å; L68-I73 HydrophobicContact CD2-CG2 4.3Å; L68-I73 WeakPolarHBondContact O-CA 3.42Å; L68-I73 WeakPolarHBondContact O-CB 3.41Å; L68-I73 PolarHBondContact O-N 3.49Å; L68-C75 HydrophobicContact CB-CB 4.32Å; L68-C75 HydrophobicContact CD1-CB 4.35Å; L68-P81 VanDerWaalsContact CD1-CD 3.46Å; L68-P81 HydrophobicContact CD1-CG 3.92Å; L68-T113 HydrophobicContact CD2-CG2 3.9Å; L68-T113 HydrophobicContact CG-CG2 4.31Å
69	N	97.8	Very high	95.9	Very high	68 Å²	68	66 Å²	66	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-39	177.2	-75.8	-39.3	0	0	0	112.2	L65 Q66 A67 L71 Q72 C75	L65-N69 WeakPolarHBondContact CD1-ND2 3.39Å; L65-N69 WeakPolarHBondContact O-CB 3.46Å; L65-N69 PolarHBondContact O-N 2.78Å; L65-N69 VanDerWaalsContact O-N 3.08Å; L65-N69 PolarHBondContact O-ND2 2.76Å; L65-N69 VanDerWaalsContact O-ND2 3.12Å; Q66-N69 PolarHBondContact O-N 3.13Å; A67-N69 PolarHBondContact O-N 3.2Å; N69-L71 PolarHBondContact O-N 2.96Å; N69-Q72 PolarHBondContact O-N 3.49Å; N69-C75 PolarHBondContact ND2-O 2.88Å; N69-C75 PolarHBondContact OD1-N 2.93Å; N69-C75 PolarHBondContact OD1-O 2.84Å
70	N	97.4	Very high	95.9	Very high	133 Å²	133	61.9 Å²	61.9	71%	0.711	31%	0.312	S	S	*	.	H	α-helix	trans	-63.1	-32	174	-69.8	-18.6	0	0	0	112.3	Q66 A67 Q72	Q66-N70 WeakPolarHBondContact O-CB 3.41Å; Q66-N70 PolarHBondContact O-N 2.87Å; Q66-N70 PolarHBondContact O-ND2 2.97Å; A67-N70 PolarHBondContact O-N 3.31Å; N70-Q72 PolarHBondContact O-N 2.96Å
71	L	98	Very high	95.9	Very high	25 Å²	25	61.9 Å²	61.9	13%	0.131	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	8	172.8	-67.3	171.2	0	0	0	113.9	A67 L68 N69 I73 A109 M110 T113 L565	A67-L71 WeakPolarHBondContact O-CG 3.39Å; A67-L71 PolarHBondContact O-N 3.49Å; L68-L71 CarbonylContact O-C 3.56Å; L68-L71 PolarHBondContact O-N 3.29Å; N69-L71 PolarHBondContact O-N 2.96Å; L71-I73 HydrophobicContact CB-CD1 4.39Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-I73 PolarHBondContact O-N 3.42Å; L71-A109 WeakPolarHBondContact CD1-O 3.37Å; L71-A109 HydrophobicContact CD2-CB 4.15Å; L71-M110 HydrophobicContact CD1-CG 4.02Å; L71-M110 HydrophobicContact CD2-CG 4.37Å; L71-T113 HydrophobicContact CD1-CG2 3.54Å; L71-L565 HydrophobicContact CB-CD2 4.37Å; L71-L565 HydrophobicContact CD1-CD2 4.05Å; L71-L565 HydrophobicContact CD2-CD2 4.23Å; L71-L565 HydrophobicContact CG-CD2 4.47Å
72	Q	97.2	Very high	96	Very high	160 Å²	160	60.2 Å²	60.2	75%	0.748	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	32.5	-177.6	-52.4	176.7	-8.4	0	0	113	L68 N69 N70	L68-Q72 PolarHBondContact O-N 2.82Å; N69-Q72 PolarHBondContact O-N 3.49Å; N70-Q72 PolarHBondContact O-N 2.96Å
73	I	96.6	Very high	96	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.277	C	S	.	.			trans	-101.5	95.1	170.8	-56.1	-178.9	0	0	0	107.1	L68 L71 C75 L565 M568 R569 V572	L68-I73 CarbonylContact C-O 3.46Å; L68-I73 HydrophobicContact CB-CB 4.29Å; L68-I73 HydrophobicContact CD2-CB 4.32Å; L68-I73 HydrophobicContact CD2-CD1 3.98Å; L68-I73 HydrophobicContact CD2-CG2 4.3Å; L68-I73 WeakPolarHBondContact O-CA 3.42Å; L68-I73 WeakPolarHBondContact O-CB 3.41Å; L68-I73 PolarHBondContact O-N 3.49Å; L71-I73 HydrophobicContact CB-CD1 4.39Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-I73 PolarHBondContact O-N 3.42Å; I73-C75 PolarHBondContact O-N 2.74Å; I73-L565 HydrophobicContact CD1-CD2 4.21Å; I73-M568 HydrophobicContact CD1-CB 3.68Å; I73-M568 HydrophobicContact CD1-SD 4.36Å; I73-R569 HydrophobicContact CB-CG 4.38Å; I73-R569 HydrophobicContact CD1-CG 4.05Å; I73-R569 HydrophobicContact CG1-CG 3.79Å; I73-R569 HydrophobicContact CG2-CG 3.97Å; I73-V572 HydrophobicContact CG2-CG2 3.77Å
74	N	91.1	Very high	96.1	Very high	142 Å²	142	52.2 Å²	52.2	76%	0.759	27%	0.266	S	S	*	.			trans	-56.6	112	-177.1	-68.6	-6.1	0	0	0	111.1
75	C	91.8	Very high	96.1	Very high	16 Å²	16	52.2 Å²	52.2	11%	0.108	27%	0.267	C	S	.	.			trans	-140.9	148	-176	-166.2	0	0	0	0	109.8	L65 L68 N69 I73 L79 V80	L65-C75 HydrophobicContact CD1-CB 3.94Å; L65-C75 VanDerWaalsContact CD1-O 3.32Å; L65-C75 WeakPolarHBondContact CD1-O 3.12Å; L68-C75 HydrophobicContact CB-CB 4.32Å; L68-C75 HydrophobicContact CD1-CB 4.35Å; N69-C75 PolarHBondContact ND2-O 2.88Å; N69-C75 PolarHBondContact OD1-N 2.93Å; N69-C75 PolarHBondContact OD1-O 2.84Å; I73-C75 PolarHBondContact O-N 2.74Å; C75-L79 PolarHBondContact SG-O 3.1Å; C75-V80 PolarHBondContact SG-N 3.13Å
76	N	92.4	Very high	96.1	Very high	78 Å²	78	51 Å²	51	42%	0.417	26%	0.26	S	S	.	.			trans	-120.9	174.8	167.8	68.4	26.1	0	0	0	108.9	D78 L79 V80	N76-D78 VanDerWaalsContact C-N 3.27Å; N76-D78 PolarHBondContact O-N 3.05Å; N76-D78 PolarHBondContact OD1-N 3.38Å; N76-L79 PolarHBondContact O-N 3.46Å; N76-L79 WeakPolarHBondContact OD1-CB 3.45Å; N76-L79 WeakPolarHBondContact OD1-CG 3.44Å; N76-L79 PolarHBondContact OD1-N 3.23Å; N76-L79 VanDerWaalsContact OD1-N 3.13Å; N76-V80 PolarHBondContact O-N 3.43Å
77	E	90.8	Very high	96.1	Very high	155 Å²	155	45.3 Å²	45.3	72%	0.724	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-53.3	-41.5	-175.5	-68.6	174.5	-169.5	0	0	113.4	L65 L79	L65-E77 HydrophobicContact CD2-CG 3.66Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 3.35Å
78	D	89.6	Confident	96.1	Very high	113 Å²	113	45 Å²	45	60%	0.604	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-73.2	-19.6	-179.2	-58.9	-43.3	0	0	0	113.5	N76 M579	N76-D78 VanDerWaalsContact C-N 3.27Å; N76-D78 PolarHBondContact O-N 3.05Å; N76-D78 PolarHBondContact OD1-N 3.38Å; D78-M579 HydrophobicContact CB-CE 3.52Å; D78-M579 HydrophobicContact CB-SD 3.72Å
79	L	94.1	Very high	96	Very high	24 Å²	24	45 Å²	45	13%	0.126	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-101.6	0.9	-174.5	-64.4	179.2	0	0	0	113.6	C75 N76 E77 P81 V572 R575 M576 M579	C75-L79 PolarHBondContact SG-O 3.1Å; N76-L79 PolarHBondContact O-N 3.46Å; N76-L79 WeakPolarHBondContact OD1-CB 3.45Å; N76-L79 WeakPolarHBondContact OD1-CG 3.44Å; N76-L79 PolarHBondContact OD1-N 3.23Å; N76-L79 VanDerWaalsContact OD1-N 3.13Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 3.35Å; L79-P81 WeakPolarHBondContact O-CD 3.28Å; L79-V572 HydrophobicContact CB-CG1 4.22Å; L79-R575 HydrophobicContact CD2-CB 4.17Å; L79-M576 VanDerWaalsContact CD2-CA 3.4Å; L79-M576 HydrophobicContact CD2-CB 3.71Å; L79-M576 HydrophobicContact CD2-CG 4.32Å; L79-M579 HydrophobicContact CD2-SD 3.78Å
80	V	97.3	Very high	95.8	Very high	6 Å²	6	42 Å²	42	4%	0.036	22%	0.216	C	C	.	.			trans	-58.7	111.3	179.6	178.4	0	0	0	0	109.5	K61 V64 L65 C75 N76	K61-V80 HydrophobicContact CB-CG1 4.29Å; K61-V80 HydrophobicContact CG-CG1 4.04Å; V64-V80 HydrophobicContact CB-CG1 4.01Å; V64-V80 HydrophobicContact CG1-CG1 3.61Å; L65-V80 HydrophobicContact CB-CG2 3.87Å; L65-V80 HydrophobicContact CD1-CG2 4.12Å; L65-V80 HydrophobicContact CG-CG2 4.46Å; C75-V80 PolarHBondContact SG-N 3.13Å; N76-V80 PolarHBondContact O-N 3.43Å
81	P	97.4	Very high	95.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.			trans	-73.2	145.5	180	32.2	-33.3	0	0	0	109.5	L68 L79 I83 D451 A571 V572	L68-P81 VanDerWaalsContact CD1-CD 3.46Å; L68-P81 HydrophobicContact CD1-CG 3.92Å; L79-P81 WeakPolarHBondContact O-CD 3.28Å; P81-I83 HydrophobicContact CB-CG1 4.35Å; P81-I83 HydrophobicContact CG-CD1 4.04Å; P81-I83 HydrophobicContact CG-CG1 4.17Å; P81-I83 PolarHBondContact O-N 2.86Å; P81-D451 WeakPolarHBondContact CA-OD2 3.09Å; P81-D451 HydrophobicContact CB-CB 4.41Å; P81-A571 HydrophobicContact CB-CB 3.65Å; P81-A571 HydrophobicContact CG-CB 4.3Å; P81-V572 HydrophobicContact CG-CG2 3.84Å
82	H	98.1	Very high	95.5	Very high	18 Å²	18	34.8 Å²	34.8	8%	0.083	18%	0.178	C	C	.	.			trans	-84.5	108	172.9	-68	-173.7	0	0	0	109.2	K61 L115 R448 D449 I450 D451 L452	K61-H82 WeakPolarHBondContact CE-NE2 3.3Å; K61-H82 PolarHBondContact NZ-NE2 3.04Å; H82-L115 HydrophobicContact CB-CD1 3.87Å; H82-L115 WeakPolarHBondContact CD2-CD1 3.24Å; H82-R448 PolarHBondContact ND1-O 3.12Å; H82-D449 WeakPolarHBondContact CB-O 3.35Å; H82-D449 PolarHBondContact ND1-O 3.21Å; H82-I450 HydrophobicContact CB-CD1 4.02Å; H82-D451 PolarHBondContact N-OD2 3.38Å; H82-D451 PolarHBondContact O-N 3.41Å; H82-L452 PolarHBondContact O-N 3.37Å
83	I	98.8	Very high	95.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.9	-179.7	-52.2	170.5	0	0	0	108.7	P81 L114 L115 Y116 L452 I454 M568	P81-I83 HydrophobicContact CB-CG1 4.35Å; P81-I83 HydrophobicContact CG-CD1 4.04Å; P81-I83 HydrophobicContact CG-CG1 4.17Å; P81-I83 PolarHBondContact O-N 2.86Å; I83-L114 HydrophobicContact CB-CD2 4.47Å; I83-L114 HydrophobicContact CG2-CD2 3.67Å; I83-L115 PolarHBondContact O-N 3.49Å; I83-Y116 PolarHBondContact O-N 3.31Å; I83-L452 WeakPolarHBondContact CA-O 3.38Å; I83-L452 HydrophobicContact CG1-CB 4.25Å; I83-L452 HydrophobicContact CG1-CD2 4.44Å; I83-L452 HydrophobicContact CG2-CB 4.3Å; I83-L452 HydrophobicContact CG2-CD2 4.2Å; I83-L452 HydrophobicContact CG2-CG 4.33Å; I83-I454 HydrophobicContact CG2-CD1 4.26Å; I83-I454 HydrophobicContact CG2-CG1 4.43Å; I83-M568 HydrophobicContact CD1-CE 4.21Å; I83-M568 HydrophobicContact CD1-CG 3.88Å; I83-M568 HydrophobicContact CD1-SD 4.49Å
84	A	98.8	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.7	175.8	0	0	0	0	0	110.7	Y116 F443 I450 L452 I453 I454	A84-Y116 WeakPolarHBondContact CA-O 3.15Å; A84-F443 HydrophobicContact CB-CD1 3.78Å; A84-F443 HydrophobicContact CB-CD2 4.13Å; A84-F443 HydrophobicContact CB-CE1 3.81Å; A84-F443 HydrophobicContact CB-CE2 4.14Å; A84-F443 HydrophobicContact CB-CG 3.96Å; A84-F443 HydrophobicContact CB-CZ 4Å; A84-I450 HydrophobicContact CB-CD1 4.06Å; A84-I450 HydrophobicContact CB-CG1 4.35Å; A84-I450 HydrophobicContact CB-CG2 4.01Å; A84-L452 PolarHBondContact N-O 3.34Å; A84-I453 CarbonylContact O-C 3.44Å; A84-I453 WeakPolarHBondContact O-CA 3.39Å; A84-I454 PolarHBondContact O-N 3.16Å
85	L	98.8	Very high	95.9	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.5	163.4	-172.5	150.2	0	0	0	108.8	A87 L98 L102 L105 L114 Y116 I117 G118 I454 P456	L85-A87 HydrophobicContact CD2-CB 3.86Å; L85-L98 HydrophobicContact CD2-CD1 3.71Å; L85-L102 HydrophobicContact CD1-CD2 3.93Å; L85-L105 HydrophobicContact CD1-CD1 3.82Å; L85-L114 HydrophobicContact CB-CD1 3.81Å; L85-L114 HydrophobicContact CB-CD2 4.34Å; L85-L114 HydrophobicContact CD1-CD1 4.02Å; L85-Y116 PolarHBondContact N-O 2.95Å; L85-I117 HydrophobicContact CB-CG1 4.41Å; L85-I117 HydrophobicContact CD2-CD1 4.09Å; L85-I117 HydrophobicContact CD2-CG1 3.9Å; L85-I117 CarbonylContact O-C 3.53Å; L85-I117 WeakPolarHBondContact O-CA 3.31Å; L85-G118 PolarHBondContact O-N 2.93Å; L85-I454 CarbonylContact C-O 3.57Å; L85-I454 VanDerWaalsContact CA-O 3.3Å; L85-I454 WeakPolarHBondContact CA-O 3.29Å; L85-P456 HydrophobicContact CD1-CG 4.2Å; L85-P456 HydrophobicContact CD2-CG 4.2Å; L85-P456 HydrophobicContact CG-CG 4.2Å
86	A	98.5	Very high	96.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	102.3	176.9	0	0	0	0	0	109.1	F443 I453 I454 A455	A86-F443 HydrophobicContact CB-CD2 3.99Å; A86-F443 HydrophobicContact CB-CE2 4.02Å; A86-I453 HydrophobicContact CB-CG2 3.73Å; A86-I454 PolarHBondContact N-O 3.33Å; A86-A455 WeakPolarHBondContact O-CA 3.41Å
87	A	97.8	Very high	96.5	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.7	-175.4	0	0	0	0	0	111.7	L85 L98 G118 S123	L85-A87 HydrophobicContact CD2-CB 3.86Å; A87-L98 HydrophobicContact CB-CD1 3.83Å; A87-L98 HydrophobicContact CB-CD2 3.8Å; A87-L98 HydrophobicContact CB-CG 4.36Å; A87-G118 PolarHBondContact N-O 2.99Å; A87-S123 WeakPolarHBondContact CB-OG 3.42Å
88	S	97.6	Very high	96.9	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.007	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-79	155.5	-179.3	66.8	0	0	0	0	113.6	A94 S123 N437 M438 P456 E457 S458 S459	S88-A94 VanDerWaalsContact O-CB 3.28Å; S88-A94 WeakPolarHBondContact O-CB 3.44Å; S88-S123 PolarHBondContact O-OG 3.32Å; S88-N437 WeakPolarHBondContact CA-O 3.42Å; S88-N437 WeakPolarHBondContact CB-O 3.25Å; S88-M438 VanDerWaalsContact CA-CG 3.49Å; S88-P456 PolarHBondContact N-O 2.82Å; S88-P456 PolarHBondContact OG-O 2.88Å; S88-E457 VanDerWaalsContact CB-OE1 3.3Å; S88-E457 WeakPolarHBondContact CB-OE1 3.31Å; S88-E457 PolarHBondContact OG-OE1 3.3Å; S88-S458 WeakPolarHBondContact OG-CA 3.39Å; S88-S458 PolarHBondContact OG-N 3.08Å; S88-S459 PolarHBondContact OG-N 3.36Å
89	G	96.4	Very high	97.3	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.019	C	C	.	.			trans	-74.3	175.6	170	0	0	0	0	0	114.3	A94 V120 N437 S459	G89-A94 VanDerWaalsContact C-CB 3.5Å; G89-V120 WeakPolarHBondContact CA-O 3.31Å; G89-V120 VanDerWaalsContact N-CG2 3.26Å; G89-N437 WeakPolarHBondContact CA-OD1 3.24Å; G89-N437 PolarHBondContact N-ND2 3Å; G89-N437 PolarHBondContact N-O 3.04Å; G89-N437 PolarHBondContact N-OD1 3.09Å; G89-N437 VanDerWaalsContact N-OD1 3.12Å; G89-N437 PolarHBondContact O-ND2 3.27Å; G89-S459 WeakPolarHBondContact O-CA 3.41Å
90	G	93.6	Very high	97.5	Very high	5 Å²	5	2.1 Å²	2.1	5%	0.052	1%	0.013	C	C	.	.			trans	147.9	22.2	-179.2	0	0	0	0	0	115.8	T536	G90-T536 PolarHBondContact O-OG1 3.49Å; G90-T536 VanDerWaalsContact O-OG1 3.08Å
91	G	93.9	Very high	97.6	Very high	2 Å²	2	1.9 Å²	1.9	2%	0.021	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-144.1	-176.8	0	0	0	0	0	112.4	R93 A94 A95 W125	G91-R93 PolarHBondContact O-N 3.1Å; G91-A94 PolarHBondContact O-N 2.86Å; G91-A94 VanDerWaalsContact O-N 3.14Å; G91-A95 PolarHBondContact O-N 3.19Å; G91-W125 VanDerWaalsContact C-CZ3 3.46Å
92	Q	95.8	Very high	97.7	Very high	4 Å²	4	1.9 Å²	1.9	2%	0.019	1%	0.011	C	C	.	.	H	α-helix	trans	-62.3	-27.2	-176.6	-173.4	174	11.1	0	0	113.4	A95 V96 I184 L539 P540 F541	Q92-A95 PolarHBondContact O-N 3.24Å; Q92-V96 HydrophobicContact CG-CG2 3.87Å; Q92-V96 WeakPolarHBondContact O-CB 3.49Å; Q92-V96 VanDerWaalsContact O-CG2 3.31Å; Q92-V96 WeakPolarHBondContact O-CG2 3.27Å; Q92-V96 PolarHBondContact O-N 2.84Å; Q92-I184 HydrophobicContact CB-CG2 3.84Å; Q92-I184 HydrophobicContact CG-CG2 3.55Å; Q92-L539 HydrophobicContact CB-CD2 3.25Å; Q92-L539 HydrophobicContact CG-CD2 4.4Å; Q92-P540 VanDerWaalsContact OE1-CA 3.28Å; Q92-F541 HydrophobicContact CB-CD2 4.14Å; Q92-F541 HydrophobicContact CB-CE2 4.04Å; Q92-F541 HydrophobicContact CG-CD2 3.68Å; Q92-F541 HydrophobicContact CG-CE2 4.06Å; Q92-F541 HydrophobicContact CG-CG 4.26Å
93	R	97.4	Very high	97.7	Very high	1 Å²	1	2.9 Å²	2.9	0%	0.004	2%	0.015	C	C	.	.	H	α-helix	trans	-59.5	-52.2	173.8	-178	-178.3	64.4	-100.6	-4	110.9	G91 S97 S458 S459 A460 L515 F534 T536 F541 L549	G91-R93 PolarHBondContact O-N 3.1Å; R93-S97 WeakPolarHBondContact O-CB 3.46Å; R93-S97 PolarHBondContact O-N 3.13Å; R93-S97 PolarHBondContact O-OG 3.3Å; R93-S458 VanDerWaalsContact CZ-O 3.23Å; R93-S458 PolarHBondContact NE-O 2.94Å; R93-S458 PolarHBondContact NH2-O 3.48Å; R93-S459 VanDerWaalsContact NH2-C 3.33Å; R93-A460 VanDerWaalsContact NH2-N 3.11Å; R93-L515 HydrophobicContact CG-CD2 3.75Å; R93-F534 WeakPolarHBondContact CD-O 3.25Å; R93-F534 HydrophobicContact CG-CB 4.16Å; R93-F534 PolarHBondContact NH1-O 3.01Å; R93-T536 PolarHBondContact NH1-OG1 3.32Å; R93-T536 PolarHBondContact NH2-OG1 2.9Å; R93-F541 HydrophobicContact CB-CE2 4.08Å; R93-F541 HydrophobicContact CB-CZ 4.19Å; R93-L549 HydrophobicContact CB-CD1 4.41Å; R93-L549 HydrophobicContact CG-CD1 4.29Å; R93-L549 HydrophobicContact CG-CD2 4.23Å
94	A	97.8	Very high	97.7	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.3	-45.2	175.8	0	0	0	0	0	111.3	S88 G89 G91 S97 L98	S88-A94 VanDerWaalsContact O-CB 3.28Å; S88-A94 WeakPolarHBondContact O-CB 3.44Å; G89-A94 VanDerWaalsContact C-CB 3.5Å; G91-A94 PolarHBondContact O-N 2.86Å; G91-A94 VanDerWaalsContact O-N 3.14Å; A94-S97 WeakPolarHBondContact CA-OG 3.48Å; A94-S97 PolarHBondContact O-N 3.23Å; A94-S97 PolarHBondContact O-OG 3.27Å; A94-L98 WeakPolarHBondContact O-CB 3.4Å; A94-L98 PolarHBondContact O-N 2.72Å
95	A	97.8	Very high	97.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-55.5	-58.4	179.6	0	0	0	0	0	111.9	G91 Q92 S97 L98 I99 G122 W125 S126 M185	G91-A95 PolarHBondContact O-N 3.19Å; Q92-A95 PolarHBondContact O-N 3.24Å; A95-S97 PolarHBondContact O-N 3.26Å; A95-L98 PolarHBondContact O-N 3.36Å; A95-I99 PolarHBondContact O-N 2.99Å; A95-G122 WeakPolarHBondContact CA-O 3.26Å; A95-G122 VanDerWaalsContact CB-O 3.28Å; A95-G122 WeakPolarHBondContact CB-O 2.89Å; A95-W125 HydrophobicContact CB-CB 4.49Å; A95-W125 HydrophobicContact CB-CE3 4.3Å; A95-S126 WeakPolarHBondContact CA-OG 3.4Å; A95-S126 WeakPolarHBondContact CB-OG 3.02Å; A95-S126 PolarHBondContact O-OG 2.92Å; A95-M185 HydrophobicContact CB-SD 4.06Å
96	V	98.1	Very high	97.7	Very high	3 Å²	3	6 Å²	6	2%	0.018	3%	0.029	C	C	.	.	H	α-helix	trans	-64.5	-42.5	-177.4	177.2	0	0	0	0	111.2	Q92 L98 I99 G100 I546 L549 L550	Q92-V96 HydrophobicContact CG-CG2 3.87Å; Q92-V96 WeakPolarHBondContact O-CB 3.49Å; Q92-V96 VanDerWaalsContact O-CG2 3.31Å; Q92-V96 WeakPolarHBondContact O-CG2 3.27Å; Q92-V96 PolarHBondContact O-N 2.84Å; V96-L98 VanDerWaalsContact C-N 3.34Å; V96-L98 PolarHBondContact O-N 3.04Å; V96-I99 PolarHBondContact O-N 3.06Å; V96-G100 PolarHBondContact O-N 3.15Å; V96-G100 VanDerWaalsContact O-N 3.12Å; V96-I546 HydrophobicContact CG1-CG2 4.03Å; V96-I546 WeakPolarHBondContact CG1-O 3.27Å; V96-I546 HydrophobicContact CG2-CG1 4.39Å; V96-I546 HydrophobicContact CG2-CG2 4.34Å; V96-L549 HydrophobicContact CB-CB 4.33Å; V96-L549 HydrophobicContact CB-CD1 4.32Å; V96-L549 HydrophobicContact CG1-CB 3.7Å; V96-L549 HydrophobicContact CG1-CD1 4.45Å; V96-L550 HydrophobicContact CG1-CD2 3.82Å; V96-L550 HydrophobicContact CG1-CG 3.58Å; V96-L550 WeakPolarHBondContact O-CD2 3.07Å
97	S	98.3	Very high	97.7	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.014	5%	0.045	C	C	.	.	H	α-helix	trans	-60.4	-42.2	178.4	69.1	0	0	0	0	112.3	R93 A94 A95 I99 G100 F101 S458 A553	R93-S97 WeakPolarHBondContact O-CB 3.46Å; R93-S97 PolarHBondContact O-N 3.13Å; R93-S97 PolarHBondContact O-OG 3.3Å; A94-S97 WeakPolarHBondContact CA-OG 3.48Å; A94-S97 PolarHBondContact O-N 3.23Å; A94-S97 PolarHBondContact O-OG 3.27Å; A95-S97 PolarHBondContact O-N 3.26Å; S97-I99 VanDerWaalsContact C-N 3.32Å; S97-I99 PolarHBondContact O-N 3.06Å; S97-G100 PolarHBondContact O-N 2.89Å; S97-G100 VanDerWaalsContact O-N 3.15Å; S97-F101 VanDerWaalsContact O-CD2 3.29Å; S97-F101 WeakPolarHBondContact O-CD2 3.49Å; S97-F101 PolarHBondContact O-N 2.74Å; S97-S458 PolarHBondContact OG-OG 2.72Å; S97-A553 VanDerWaalsContact O-CB 3.22Å; S97-A553 WeakPolarHBondContact O-CB 3.31Å
98	L	98.8	Very high	97.7	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-41.7	179.2	177.7	57.9	0	0	0	111.3	L85 A87 A94 A95 V96 G100 F101 L102 I117 M127	L85-L98 HydrophobicContact CD2-CD1 3.71Å; A87-L98 HydrophobicContact CB-CD1 3.83Å; A87-L98 HydrophobicContact CB-CD2 3.8Å; A87-L98 HydrophobicContact CB-CG 4.36Å; A94-L98 WeakPolarHBondContact O-CB 3.4Å; A94-L98 PolarHBondContact O-N 2.72Å; A95-L98 PolarHBondContact O-N 3.36Å; V96-L98 VanDerWaalsContact C-N 3.34Å; V96-L98 PolarHBondContact O-N 3.04Å; L98-G100 VanDerWaalsContact C-N 3.33Å; L98-G100 PolarHBondContact O-N 3.27Å; L98-F101 PolarHBondContact O-N 2.76Å; L98-L102 HydrophobicContact CD1-CD1 3.89Å; L98-L102 HydrophobicContact CD1-CD2 4.48Å; L98-L102 HydrophobicContact CD1-CG 3.94Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.34Å; L98-L102 WeakPolarHBondContact O-CB 3.01Å; L98-L102 VanDerWaalsContact O-CG 3.28Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 2.93Å; L98-I117 HydrophobicContact CD1-CD1 4.47Å; L98-I117 HydrophobicContact CD2-CD1 4.48Å; L98-M127 HydrophobicContact CD2-CG 4.34Å
99	I	98.6	Very high	97.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-41.5	176.8	-66.5	169.6	0	0	0	110.6	A95 V96 S97 L102 Y103 F129 L130 M140 V144 L147 M185 L550	A95-I99 PolarHBondContact O-N 2.99Å; V96-I99 PolarHBondContact O-N 3.06Å; S97-I99 VanDerWaalsContact C-N 3.32Å; S97-I99 PolarHBondContact O-N 3.06Å; I99-L102 PolarHBondContact O-N 3.5Å; I99-Y103 VanDerWaalsContact O-CB 3.24Å; I99-Y103 WeakPolarHBondContact O-CB 3.39Å; I99-Y103 PolarHBondContact O-N 3.23Å; I99-F129 HydrophobicContact CD1-CD1 3.88Å; I99-F129 HydrophobicContact CD1-CE1 4.06Å; I99-L130 HydrophobicContact CG1-CD1 4.35Å; I99-M140 HydrophobicContact CG2-CE 3.96Å; I99-M140 WeakPolarHBondContact O-CE 3.34Å; I99-V144 HydrophobicContact CG2-CG2 4Å; I99-L147 HydrophobicContact CB-CD1 4.17Å; I99-L147 HydrophobicContact CD1-CD1 3.66Å; I99-L147 HydrophobicContact CD1-CD2 3.72Å; I99-L147 HydrophobicContact CD1-CG 4Å; I99-L147 HydrophobicContact CG1-CD1 4.5Å; I99-L147 HydrophobicContact CG2-CD1 3.78Å; I99-M185 HydrophobicContact CD1-CE 4.12Å; I99-L550 HydrophobicContact CB-CD2 4.28Å; I99-L550 HydrophobicContact CG2-CD2 4.11Å
100	G	98.6	Very high	97.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-41.3	174.6	0	0	0	0	0	113.5	V96 S97 L98 Y103 Q104 K554	V96-G100 PolarHBondContact O-N 3.15Å; V96-G100 VanDerWaalsContact O-N 3.12Å; S97-G100 PolarHBondContact O-N 2.89Å; S97-G100 VanDerWaalsContact O-N 3.15Å; L98-G100 VanDerWaalsContact C-N 3.33Å; L98-G100 PolarHBondContact O-N 3.27Å; G100-Y103 PolarHBondContact O-N 3.05Å; G100-Q104 PolarHBondContact O-N 3.18Å; G100-Q104 VanDerWaalsContact O-N 3.12Å; G100-K554 VanDerWaalsContact O-CG 3.32Å; G100-K554 WeakPolarHBondContact O-CG 3.18Å
101	F	98.6	Very high	98	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-62.2	-50	174.7	-90.6	-77.3	0	0	0	111.8	S97 L98 Y103 Q104 L105 P456 M513 A553 N556 M557	S97-F101 VanDerWaalsContact O-CD2 3.29Å; S97-F101 WeakPolarHBondContact O-CD2 3.49Å; S97-F101 PolarHBondContact O-N 2.74Å; L98-F101 PolarHBondContact O-N 2.76Å; F101-Y103 VanDerWaalsContact C-N 3.31Å; F101-Y103 PolarHBondContact O-N 3.46Å; F101-Q104 PolarHBondContact O-N 3.49Å; F101-L105 WeakPolarHBondContact O-CG 3.42Å; F101-L105 PolarHBondContact O-N 2.96Å; F101-P456 HydrophobicContact CD1-CB 4.3Å; F101-P456 HydrophobicContact CD1-CG 4.31Å; F101-P456 HydrophobicContact CD2-CB 3.73Å; F101-P456 HydrophobicContact CD2-CG 4.4Å; F101-P456 HydrophobicContact CE1-CB 4.4Å; F101-P456 HydrophobicContact CE2-CB 3.83Å; F101-P456 HydrophobicContact CG-CB 4Å; F101-P456 HydrophobicContact CG-CG 4.18Å; F101-P456 HydrophobicContact CZ-CB 4.17Å; F101-M513 HydrophobicContact CD1-SD 4.46Å; F101-M513 HydrophobicContact CE1-CB 4.26Å; F101-M513 HydrophobicContact CE1-SD 3.75Å; F101-M513 HydrophobicContact CZ-CB 4.22Å; F101-A553 HydrophobicContact CD2-CB 3.69Å; F101-A553 HydrophobicContact CE2-CB 3.92Å; F101-A553 HydrophobicContact CG-CB 4.34Å; F101-N556 HydrophobicContact CE1-CB 4.26Å; F101-N556 HydrophobicContact CZ-CB 4.02Å; F101-M557 HydrophobicContact CD1-CB 3.69Å; F101-M557 HydrophobicContact CD1-CG 4.19Å; F101-M557 HydrophobicContact CD1-SD 4.2Å; F101-M557 HydrophobicContact CE1-CB 4Å
102	L	98.9	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-37.6	179.3	-67	170	0	0	0	111.8	L85 L98 I99 Q104 L105 E106 L111 I117 L130 W136 M140	L85-L102 HydrophobicContact CD1-CD2 3.93Å; L98-L102 HydrophobicContact CD1-CD1 3.89Å; L98-L102 HydrophobicContact CD1-CD2 4.48Å; L98-L102 HydrophobicContact CD1-CG 3.94Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.34Å; L98-L102 WeakPolarHBondContact O-CB 3.01Å; L98-L102 VanDerWaalsContact O-CG 3.28Å; L98-L102 WeakPolarHBondContact O-CG 3.49Å; L98-L102 PolarHBondContact O-N 2.93Å; I99-L102 PolarHBondContact O-N 3.5Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 PolarHBondContact O-N 2Å; L102-L105 HydrophobicContact CD2-CD1 4.34Å; L102-L105 PolarHBondContact O-N 2.94Å; L102-E106 PolarHBondContact O-N 3.13Å; L102-L111 HydrophobicContact CD2-CD1 3.59Å; L102-I117 HydrophobicContact CD1-CD1 3.9Å; L102-I117 HydrophobicContact CD2-CD1 4.03Å; L102-L130 HydrophobicContact CD1-CD1 3.44Å; L102-L130 VanDerWaalsContact CD1-CD1 3.44Å; L102-W136 HydrophobicContact CB-CZ3 4.38Å; L102-W136 HydrophobicContact CD1-CH2 4.03Å; L102-W136 HydrophobicContact CD1-CZ3 4.03Å; L102-W136 HydrophobicContact CD2-CH2 4.29Å; L102-M140 HydrophobicContact CB-CE 3.87Å; L102-M140 HydrophobicContact CB-SD 4.32Å
103	Y	98.8	Very high	98.4	Very high	39 Å²	39	15.9 Å²	15.9	15%	0.153	8%	0.084	C	C	.	.	H	α-helix	trans	-57	-50.5	174.3	179.2	-83.3	0	0	0	110.4	I99 G100 F101 L105 E106 K107 M140 D141 V144 K554	I99-Y103 VanDerWaalsContact O-CB 3.24Å; I99-Y103 WeakPolarHBondContact O-CB 3.39Å; I99-Y103 PolarHBondContact O-N 3.23Å; G100-Y103 PolarHBondContact O-N 3.05Å; F101-Y103 VanDerWaalsContact C-N 3.31Å; F101-Y103 PolarHBondContact O-N 3.46Å; Y103-L105 VanDerWaalsContact C-N 3.35Å; Y103-L105 PolarHBondContact O-N 2.99Å; Y103-E106 PolarHBondContact O-N 3.11Å; Y103-K107 HydrophobicContact CD1-CG 3.99Å; Y103-K107 HydrophobicContact CE1-CD 4.35Å; Y103-K107 HydrophobicContact CE1-CG 3.57Å; Y103-K107 WeakPolarHBondContact O-CG 3.34Å; Y103-K107 PolarHBondContact O-N 2.86Å; Y103-K107 WeakPolarHBondContact OH-CE 3.39Å; Y103-M140 HydrophobicContact CD2-CB 3.71Å; Y103-M140 HydrophobicContact CE2-CB 4.44Å; Y103-M140 HydrophobicContact CG-CB 4.33Å; Y103-D141 WeakPolarHBondContact CE2-OD1 3.48Å; Y103-D141 PolarHBondContact OH-OD1 2.86Å; Y103-V144 HydrophobicContact CD2-CB 4.47Å; Y103-V144 HydrophobicContact CD2-CG2 3.56Å; Y103-V144 HydrophobicContact CE2-CG2 4.17Å; Y103-V144 HydrophobicContact CG-CG2 4.23Å; Y103-K554 HydrophobicContact CD1-CD 3.66Å; Y103-K554 VanDerWaalsContact CD1-CE 3.45Å; Y103-K554 HydrophobicContact CD1-CG 3.85Å; Y103-K554 HydrophobicContact CE1-CD 4.03Å; Y103-K554 HydrophobicContact CG-CD 4.37Å; Y103-K554 HydrophobicContact CG-CG 4.46Å
104	Q	98.8	Very high	98.4	Very high	19 Å²	19	15.8 Å²	15.8	9%	0.089	8%	0.083	C	C	.	.	H	α-helix	trans	-69.3	-34.5	-179.4	-169	66	40.5	0	0	112.2	G100 F101 L102 E106 K107 E108 K554 M557 K558	G100-Q104 PolarHBondContact O-N 3.18Å; G100-Q104 VanDerWaalsContact O-N 3.12Å; F101-Q104 PolarHBondContact O-N 3.49Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 PolarHBondContact O-N 2Å; Q104-E106 VanDerWaalsContact C-N 3.28Å; Q104-E106 PolarHBondContact O-N 3.3Å; Q104-K107 PolarHBondContact O-N 3.37Å; Q104-E108 HydrophobicContact CG-CG 4.21Å; Q104-E108 PolarHBondContact NE2-OE1 2.98Å; Q104-E108 WeakPolarHBondContact O-CB 3.5Å; Q104-E108 VanDerWaalsContact O-CG 3.27Å; Q104-E108 WeakPolarHBondContact O-CG 3.4Å; Q104-E108 PolarHBondContact O-N 3.43Å; Q104-K554 HydrophobicContact CB-CB 4.33Å; Q104-K554 HydrophobicContact CB-CG 4.49Å; Q104-K554 VanDerWaalsContact CG-O 3.3Å; Q104-K554 WeakPolarHBondContact CG-O 3.47Å; Q104-M557 HydrophobicContact CB-CB 3.83Å; Q104-M557 HydrophobicContact CB-CG 3.93Å; Q104-M557 HydrophobicContact CG-CB 3.91Å; Q104-M557 HydrophobicContact CG-CG 4.03Å; Q104-K558 HydrophobicContact CG-CB 3.88Å
105	L	98.7	Very high	98.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-58.9	-40.7	172.2	-75.4	174.5	0	0	0	111.8	L85 F101 L102 Y103 E108 A109 M110 L111 L114 M557	L85-L105 HydrophobicContact CD1-CD1 3.82Å; F101-L105 WeakPolarHBondContact O-CG 3.42Å; F101-L105 PolarHBondContact O-N 2.96Å; L102-L105 HydrophobicContact CD2-CD1 4.34Å; L102-L105 PolarHBondContact O-N 2.94Å; Y103-L105 VanDerWaalsContact C-N 3.35Å; Y103-L105 PolarHBondContact O-N 2.99Å; L105-E108 PolarHBondContact O-N 2.95Å; L105-A109 PolarHBondContact O-N 3.43Å; L105-M110 HydrophobicContact CD2-CB 3.8Å; L105-M110 HydrophobicContact CD2-CE 3.76Å; L105-M110 PolarHBondContact O-N 3.22Å; L105-L111 HydrophobicContact CB-CB 3.95Å; L105-L111 HydrophobicContact CB-CD1 4.3Å; L105-L111 HydrophobicContact CD1-CD1 4.47Å; L105-L111 PolarHBondContact O-N 2.83Å; L105-L114 HydrophobicContact CD1-CD1 4.31Å; L105-M557 HydrophobicContact CD2-CE 4.07Å; L105-M557 HydrophobicContact CD2-CG 4.05Å; L105-M557 HydrophobicContact CD2-SD 3.57Å; L105-M557 VanDerWaalsContact CD2-SD 3.57Å; L105-M557 HydrophobicContact CG-CG 4.04Å; L105-M557 HydrophobicContact CG-SD 3.97Å
106	E	98.5	Very high	98.5	Very high	45 Å²	45	15.9 Å²	15.9	21%	0.21	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-48.3	175.6	179.7	-88.2	144.1	0	0	111	L102 Y103 Q104 E108 A109 L111 S137 M140	L102-E106 PolarHBondContact O-N 3.13Å; Y103-E106 PolarHBondContact O-N 3.11Å; Q104-E106 VanDerWaalsContact C-N 3.28Å; Q104-E106 PolarHBondContact O-N 3.3Å; E106-E108 PolarHBondContact O-N 2.95Å; E106-A109 WeakPolarHBondContact O-CA 3.4Å; E106-A109 PolarHBondContact O-N 3.09Å; E106-L111 HydrophobicContact CB-CB 4.17Å; E106-L111 HydrophobicContact CB-CD2 3.87Å; E106-S137 WeakPolarHBondContact CG-O 3.16Å; E106-M140 HydrophobicContact CB-CB 4.33Å; E106-M140 HydrophobicContact CB-CG 3.78Å; E106-M140 HydrophobicContact CG-CB 4.42Å; E106-M140 HydrophobicContact CG-CG 4.08Å
107	K	98.4	Very high	98.6	Very high	77 Å²	77	15.7 Å²	15.7	34%	0.335	8%	0.083	S	C	.	.	H	α-helix	trans	-61.6	-26.3	177.4	-62.9	-52.1	173.1	-145.6	0	114.5	Y103 Q104 D141	Y103-K107 HydrophobicContact CD1-CG 3.99Å; Y103-K107 HydrophobicContact CE1-CD 4.35Å; Y103-K107 HydrophobicContact CE1-CG 3.57Å; Y103-K107 WeakPolarHBondContact O-CG 3.34Å; Y103-K107 PolarHBondContact O-N 2.86Å; Y103-K107 WeakPolarHBondContact OH-CE 3.39Å; Q104-K107 PolarHBondContact O-N 3.37Å; K107-D141 IonicContact NZ-OD1 3.96Å; K107-D141 IonicContact NZ-OD2 2.68Å; K107-D141 PolarHBondContact NZ-OD2 2.79Å
108	E	97.9	Very high	98.6	Very high	33 Å²	33	15.6 Å²	15.6	15%	0.154	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	8.2	175.3	-60.6	-61.8	172.7	0	0	113.4	Q104 L105 E106 M110 K561	Q104-E108 HydrophobicContact CG-CG 4.21Å; Q104-E108 PolarHBondContact NE2-OE1 2.98Å; Q104-E108 WeakPolarHBondContact O-CB 3.5Å; Q104-E108 VanDerWaalsContact O-CG 3.27Å; Q104-E108 WeakPolarHBondContact O-CG 3.4Å; Q104-E108 PolarHBondContact O-N 3.43Å; L105-E108 PolarHBondContact O-N 2.95Å; E106-E108 PolarHBondContact O-N 2.95Å; E108-M110 HydrophobicContact CB-CE 3.79Å; E108-M110 HydrophobicContact CB-CG 4.27Å; E108-M110 HydrophobicContact CG-CE 4.37Å; E108-M110 PolarHBondContact O-N 3.45Å; E108-K561 HydrophobicContact CB-CD 4.33Å; E108-K561 HydrophobicContact CG-CD 4.11Å; E108-K561 VanDerWaalsContact OE2-CD 3.28Å; E108-K561 WeakPolarHBondContact OE2-CD 3.5Å; E108-K561 VanDerWaalsContact OE2-CE 3.29Å; E108-K561 WeakPolarHBondContact OE2-CE 3.25Å; E108-K561 IonicContact OE2-NZ 2.64Å; E108-K561 PolarHBondContact OE2-NZ 3.36Å
109	A	98	Very high	98.5	Very high	58 Å²	58	15.6 Å²	15.6	48%	0.479	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	23.7	-176.8	0	0	0	0	0	114.4	L71 L105 E106	L71-A109 WeakPolarHBondContact CD1-O 3.37Å; L71-A109 HydrophobicContact CD2-CB 4.15Å; L105-A109 PolarHBondContact O-N 3.43Å; E106-A109 WeakPolarHBondContact O-CA 3.4Å; E106-A109 PolarHBondContact O-N 3.09Å
110	M	98.5	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.			trans	-98.1	-17.2	179.8	-65	-170.9	-58	0	0	113	L71 L105 E108 D112 T113 M557 K561 V564 L565 M568	L71-M110 HydrophobicContact CD1-CG 4.02Å; L71-M110 HydrophobicContact CD2-CG 4.37Å; L105-M110 HydrophobicContact CD2-CB 3.8Å; L105-M110 HydrophobicContact CD2-CE 3.76Å; L105-M110 PolarHBondContact O-N 3.22Å; E108-M110 HydrophobicContact CB-CE 3.79Å; E108-M110 HydrophobicContact CB-CG 4.27Å; E108-M110 HydrophobicContact CG-CE 4.37Å; E108-M110 PolarHBondContact O-N 3.45Å; M110-D112 VanDerWaalsContact C-N 3.3Å; M110-D112 PolarHBondContact O-N 3.36Å; M110-T113 WeakPolarHBondContact O-CB 3.21Å; M110-T113 PolarHBondContact O-N 3.34Å; M110-T113 VanDerWaalsContact O-N 3.09Å; M110-T113 PolarHBondContact O-OG1 2.77Å; M110-M557 HydrophobicContact CE-CE 3.59Å; M110-K561 HydrophobicContact CE-CB 4.23Å; M110-K561 HydrophobicContact CE-CG 3.94Å; M110-K561 HydrophobicContact SD-CG 4.12Å; M110-V564 HydrophobicContact CE-CG1 4.41Å; M110-V564 HydrophobicContact SD-CB 4.3Å; M110-V564 HydrophobicContact SD-CG1 3.95Å; M110-L565 HydrophobicContact CG-CD2 4.12Å; M110-L565 HydrophobicContact SD-CD2 3.7Å; M110-L565 HydrophobicContact SD-CG 3.82Å; M110-M568 HydrophobicContact CB-CE 4.46Å
111	L	98.7	Very high	98.3	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-60.7	-39.6	-177.6	-176.8	60.1	0	0	0	112.5	L102 L105 E106 T113 L114 W136 S137 M140	L102-L111 HydrophobicContact CD2-CD1 3.59Å; L105-L111 HydrophobicContact CB-CB 3.95Å; L105-L111 HydrophobicContact CB-CD1 4.3Å; L105-L111 HydrophobicContact CD1-CD1 4.47Å; L105-L111 PolarHBondContact O-N 2.83Å; E106-L111 HydrophobicContact CB-CB 4.17Å; E106-L111 HydrophobicContact CB-CD2 3.87Å; L111-T113 PolarHBondContact O-N 3.26Å; L111-T113 VanDerWaalsContact O-N 3.16Å; L111-L114 HydrophobicContact CD1-CD1 3.85Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 WeakPolarHBondContact O-CG 3.32Å; L111-L114 PolarHBondContact O-N 3.29Å; L111-L114 VanDerWaalsContact O-N 3.14Å; L111-W136 HydrophobicContact CD1-CH2 4.33Å; L111-W136 HydrophobicContact CD1-CZ3 4.46Å; L111-W136 HydrophobicContact CD2-CH2 4.35Å; L111-W136 HydrophobicContact CD2-CZ3 3.83Å; L111-S137 WeakPolarHBondContact CD2-O 3.45Å; L111-M140 HydrophobicContact CD2-CG 4.36Å
112	D	98.4	Very high	98.3	Very high	51 Å²	51	15.9 Å²	15.9	27%	0.273	8%	0.084	S	C	.	.	G	3₁₀ helix	trans	-71.6	-6.3	179.2	-83.4	-30.5	0	0	0	114.8	R60 I63 V64 A67 M110 L114	R60-D112 IonicContact CZ-OD1 3.13Å; R60-D112 IonicContact NH1-OD1 3.79Å; R60-D112 IonicContact NH2-OD1 3.19Å; R60-D112 PolarHBondContact NH2-OD1 3.26Å; I63-D112 HydrophobicContact CG2-CB 4.04Å; V64-D112 WeakPolarHBondContact CA-O 3.17Å; V64-D112 WeakPolarHBondContact CG2-O 3.32Å; A67-D112 HydrophobicContact CB-CB 3.72Å; M110-D112 VanDerWaalsContact C-N 3.3Å; M110-D112 PolarHBondContact O-N 3.36Å; D112-L114 VanDerWaalsContact C-N 3.27Å
113	T	98.6	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-78.1	-13	171.5	70.8	0	0	0	0	113	A67 L68 L71 M110 L111 M568	A67-T113 HydrophobicContact CB-CG2 4.02Å; L68-T113 HydrophobicContact CD2-CG2 3.9Å; L68-T113 HydrophobicContact CG-CG2 4.31Å; L71-T113 HydrophobicContact CD1-CG2 3.54Å; M110-T113 WeakPolarHBondContact O-CB 3.21Å; M110-T113 PolarHBondContact O-N 3.34Å; M110-T113 VanDerWaalsContact O-N 3.09Å; M110-T113 PolarHBondContact O-OG1 2.77Å; L111-T113 PolarHBondContact O-N 3.26Å; L111-T113 VanDerWaalsContact O-N 3.16Å; T113-M568 HydrophobicContact CG2-CE 4.36Å; T113-M568 HydrophobicContact CG2-SD 4.34Å; T113-M568 WeakPolarHBondContact OG1-CE 3.38Å
114	L	98.8	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.			trans	-78.4	128.7	179.1	-57.3	-175.9	0	0	0	111.1	R60 I83 L85 L105 L111 D112 P204 I454	R60-L114 PolarHBondContact NE-O 3.45Å; I83-L114 HydrophobicContact CB-CD2 4.47Å; I83-L114 HydrophobicContact CG2-CD2 3.67Å; L85-L114 HydrophobicContact CB-CD1 3.81Å; L85-L114 HydrophobicContact CB-CD2 4.34Å; L85-L114 HydrophobicContact CD1-CD1 4.02Å; L105-L114 HydrophobicContact CD1-CD1 4.31Å; L111-L114 HydrophobicContact CD1-CD1 3.85Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 WeakPolarHBondContact O-CG 3.32Å; L111-L114 PolarHBondContact O-N 3.29Å; L111-L114 VanDerWaalsContact O-N 3.14Å; D112-L114 VanDerWaalsContact C-N 3.27Å; L114-P204 HydrophobicContact CB-CB 4.12Å; L114-P204 HydrophobicContact CB-CG 3.84Å; L114-P204 HydrophobicContact CD1-CG 4.43Å; L114-I454 HydrophobicContact CD2-CD1 4.19Å
115	L	98.4	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-82.9	-40.4	165.4	-75.5	-176.3	0	0	0	111.5	I57 R60 K61 V64 H82 I83 Y205	I57-L115 HydrophobicContact CD1-CB 4.46Å; I57-L115 HydrophobicContact CG2-CD1 4.31Å; I57-L115 HydrophobicContact CG2-CD2 4.47Å; R60-L115 HydrophobicContact CB-CD2 4.03Å; R60-L115 HydrophobicContact CG-CD2 3.69Å; K61-L115 HydrophobicContact CG-CD1 4.43Å; K61-L115 HydrophobicContact CG-CD2 3.93Å; V64-L115 HydrophobicContact CB-CD2 4.49Å; V64-L115 HydrophobicContact CG2-CD2 3.59Å; V64-L115 HydrophobicContact CG2-CG 4.12Å; H82-L115 HydrophobicContact CB-CD1 3.87Å; H82-L115 WeakPolarHBondContact CD2-CD1 3.24Å; I83-L115 PolarHBondContact O-N 3.49Å; L115-Y205 PolarHBondContact O-N 2.86Å
116	Y	98.8	Very high	98.1	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.5	-172.9	-62.8	-86.4	0	0	0	112	E53 I57 I83 A84 L85 Y205 I207 F443 R448 I450	E53-Y116 WeakPolarHBondContact OE1-CE1 3.47Å; E53-Y116 PolarHBondContact OE1-OH 3.37Å; I57-Y116 HydrophobicContact CD1-CD1 4.18Å; I57-Y116 HydrophobicContact CD1-CD2 4.46Å; I57-Y116 HydrophobicContact CD1-CE1 3.5Å; I57-Y116 VanDerWaalsContact CD1-CE1 3.5Å; I57-Y116 HydrophobicContact CD1-CE2 3.83Å; I57-Y116 WeakPolarHBondContact CD1-OH 3.36Å; I57-Y116 HydrophobicContact CG1-CE1 4.1Å; I57-Y116 VanDerWaalsContact CG1-OH 3.32Å; I57-Y116 WeakPolarHBondContact CG1-OH 3.32Å; I83-Y116 PolarHBondContact O-N 3.31Å; A84-Y116 WeakPolarHBondContact CA-O 3.15Å; L85-Y116 PolarHBondContact N-O 2.95Å; Y116-Y205 WeakPolarHBondContact CA-O 3.28Å; Y116-Y205 AromaticContact CD1-CD1 3.74Å; Y116-Y205 HydrophobicContact CD1-CD1 3.74Å; Y116-Y205 HydrophobicContact CD1-CG 4.2Å; Y116-Y205 AromaticContact CE1-CD1 3.71Å; Y116-Y205 HydrophobicContact CE1-CD1 3.71Å; Y116-Y205 HydrophobicContact CE1-CG 4.21Å; Y116-I207 HydrophobicContact CD1-CD1 3.88Å; Y116-I207 HydrophobicContact CE1-CD1 4.36Å; Y116-F443 HydrophobicContact CD1-CE1 4.34Å; Y116-F443 AromaticContact CG-CE1 3.95Å; Y116-F443 HydrophobicContact CG-CE1 3.95Å; Y116-R448 HydrophobicContact CE1-CG 4.42Å; Y116-R448 HydrophobicContact CE2-CB 4.4Å; Y116-R448 HydrophobicContact CE2-CG 4.5Å; Y116-I450 HydrophobicContact CD2-CD1 3.71Å; Y116-I450 HydrophobicContact CE2-CD1 3.9Å
117	I	98.8	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.2	162	-174.3	169.4	0	0	0	108.9	L85 L98 L102 M127 Y131 P204 Y205 P206 I207	L85-I117 HydrophobicContact CB-CG1 4.41Å; L85-I117 HydrophobicContact CD2-CD1 4.09Å; L85-I117 HydrophobicContact CD2-CG1 3.9Å; L85-I117 CarbonylContact O-C 3.53Å; L85-I117 WeakPolarHBondContact O-CA 3.31Å; L98-I117 HydrophobicContact CD1-CD1 4.47Å; L98-I117 HydrophobicContact CD2-CD1 4.48Å; L102-I117 HydrophobicContact CD1-CD1 3.9Å; L102-I117 HydrophobicContact CD2-CD1 4.03Å; I117-M127 HydrophobicContact CD1-CG 4.27Å; I117-M127 HydrophobicContact CG1-SD 4.43Å; I117-M127 HydrophobicContact CG2-CE 4.35Å; I117-Y131 HydrophobicContact CG2-CE2 4.09Å; I117-Y131 WeakPolarHBondContact CG2-OH 3.31Å; I117-P204 HydrophobicContact CB-CB 4.32Å; I117-P204 HydrophobicContact CG2-CB 4.13Å; I117-Y205 PolarHBondContact N-O 3.22Å; I117-P206 HydrophobicContact CG2-CB 4.38Å; I117-P206 CarbonylContact O-C 3.46Å; I117-P206 WeakPolarHBondContact O-CA 3.04Å; I117-I207 PolarHBondContact O-N 3.34Å
118	G	98.6	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.3	177.2	0	0	0	0	0	110.7	L85 A87 I207	L85-G118 PolarHBondContact O-N 2.93Å; A87-G118 PolarHBondContact N-O 2.99Å; G118-I207 VanDerWaalsContact CA-O 3.24Å; G118-I207 WeakPolarHBondContact CA-O 3.3Å
119	G	98	Very high	98	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.3	-179.1	0	0	0	0	0	113.4	T124 I207 C209	G119-T124 WeakPolarHBondContact O-CG2 3.49Å; G119-I207 PolarHBondContact N-O 2.89Å; G119-C209 PolarHBondContact O-N 2.64Å
120	V	97.3	Very high	97.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.			trans	-127.1	155.7	171.5	-50.8	0	0	0	0	109.7	G89 G122 S123 C209 W225 A432 A439	G89-V120 WeakPolarHBondContact CA-O 3.31Å; G89-V120 VanDerWaalsContact N-CG2 3.26Å; V120-G122 PolarHBondContact O-N 3.23Å; V120-S123 PolarHBondContact O-N 2.85Å; V120-C209 HydrophobicContact CG1-CB 3.99Å; V120-W225 HydrophobicContact CG1-CH2 3.88Å; V120-W225 HydrophobicContact CG1-CZ2 4.09Å; V120-A432 HydrophobicContact CB-CB 4.01Å; V120-A432 HydrophobicContact CG1-CB 3.75Å; V120-A439 HydrophobicContact CG1-CB 4.39Å
121	S	96.1	Very high	97.8	Very high	7 Å²	7	4.1 Å²	4.1	5%	0.049	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	-134.8	176.1	-162.2	0	0	0	0	112.8	S123 T124 L272 D431	S121-S123 PolarHBondContact O-N 3.26Å; S121-T124 VanDerWaalsContact O-CB 3.29Å; S121-T124 WeakPolarHBondContact O-CB 3.47Å; S121-T124 WeakPolarHBondContact O-CG2 3.04Å; S121-T124 PolarHBondContact O-N 3.35Å; S121-T124 PolarHBondContact O-OG1 3.02Å; S121-L272 WeakPolarHBondContact CA-O 3.4Å; S121-L272 PolarHBondContact N-O 2.94Å; S121-D431 WeakPolarHBondContact CA-OD1 3.49Å; S121-D431 WeakPolarHBondContact CB-OD1 3.23Å; S121-D431 WeakPolarHBondContact CB-OD2 3.49Å; S121-D431 PolarHBondContact N-OD1 3.49Å; S121-D431 PolarHBondContact OG-OD2 3.23Å
122	G	96.6	Very high	97.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-50.3	-26.6	179.8	0	0	0	0	0	117.2	A95 V120 T124 W125	A95-G122 WeakPolarHBondContact CA-O 3.26Å; A95-G122 VanDerWaalsContact CB-O 3.28Å; A95-G122 WeakPolarHBondContact CB-O 2.89Å; V120-G122 PolarHBondContact O-N 3.23Å; G122-T124 VanDerWaalsContact C-N 3.26Å; G122-T124 PolarHBondContact O-N 3.36Å; G122-W125 WeakPolarHBondContact O-CB 3.45Å; G122-W125 PolarHBondContact O-N 3.36Å
123	S	98.2	Very high	97.4	Very high	2 Å²	2	6 Å²	6	1%	0.014	3%	0.032	C	C	.	.	H	α-helix	trans	-67.3	-28	173	-78	0	0	0	0	112.9	A87 S88 V120 S121 W125 S126 M127	A87-S123 WeakPolarHBondContact CB-OG 3.42Å; S88-S123 PolarHBondContact O-OG 3.32Å; V120-S123 PolarHBondContact O-N 2.85Å; S121-S123 PolarHBondContact O-N 3.26Å; S123-W125 PolarHBondContact O-N 3.42Å; S123-S126 PolarHBondContact O-N 3.42Å; S123-M127 WeakPolarHBondContact O-CG 3.44Å; S123-M127 PolarHBondContact O-N 3.03Å
124	T	98.2	Very high	97.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.4	-29.1	173.8	69.5	0	0	0	0	112.3	G119 S121 G122 M127 A128 Y208 L272	G119-T124 WeakPolarHBondContact O-CG2 3.49Å; S121-T124 VanDerWaalsContact O-CB 3.29Å; S121-T124 WeakPolarHBondContact O-CB 3.47Å; S121-T124 WeakPolarHBondContact O-CG2 3.04Å; S121-T124 PolarHBondContact O-N 3.35Å; S121-T124 PolarHBondContact O-OG1 3.02Å; G122-T124 VanDerWaalsContact C-N 3.26Å; G122-T124 PolarHBondContact O-N 3.36Å; T124-M127 PolarHBondContact O-N 3.45Å; T124-A128 WeakPolarHBondContact O-CB 3.4Å; T124-A128 PolarHBondContact O-N 3.22Å; T124-Y208 HydrophobicContact CG2-CD1 3.89Å; T124-L272 HydrophobicContact CG2-CB 4.02Å; T124-L272 HydrophobicContact CG2-CD1 4.11Å
125	W	97.3	Very high	96.9	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.015	8%	0.08	C	C	.	.	H	α-helix	trans	-66.3	-42.5	175.5	-51	-17.3	0	0	0	111.2	G91 A95 G122 S123 A128 F129 W176 T180 I184 M185	G91-W125 VanDerWaalsContact C-CZ3 3.46Å; A95-W125 HydrophobicContact CB-CB 4.49Å; A95-W125 HydrophobicContact CB-CE3 4.3Å; G122-W125 WeakPolarHBondContact O-CB 3.45Å; G122-W125 PolarHBondContact O-N 3.36Å; S123-W125 PolarHBondContact O-N 3.42Å; W125-A128 PolarHBondContact O-N 3.35Å; W125-F129 VanDerWaalsContact O-CB 3.27Å; W125-F129 WeakPolarHBondContact O-CB 3.37Å; W125-F129 PolarHBondContact O-N 2.83Å; W125-W176 HydrophobicContact CH2-CZ2 4.44Å; W125-W176 HydrophobicContact CZ2-CZ2 4.46Å; W125-T180 HydrophobicContact CH2-CG2 4.08Å; W125-T180 HydrophobicContact CZ2-CG2 4.05Å; W125-I184 HydrophobicContact CE3-CD1 4.41Å; W125-I184 HydrophobicContact CE3-CG2 4.4Å; W125-I184 HydrophobicContact CH2-CD1 4.12Å; W125-I184 HydrophobicContact CZ3-CD1 3.67Å; W125-I184 HydrophobicContact CZ3-CG2 4.45Å; W125-M185 HydrophobicContact CB-CG 3.78Å; W125-M185 HydrophobicContact CB-SD 3.96Å
126	S	97.8	Very high	96.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67	-39.7	174.1	-68.4	0	0	0	0	112.8	A95 S123 F129 L130	A95-S126 WeakPolarHBondContact CA-OG 3.4Å; A95-S126 WeakPolarHBondContact CB-OG 3.02Å; A95-S126 PolarHBondContact O-OG 2.92Å; S123-S126 PolarHBondContact O-N 3.42Å; S126-F129 PolarHBondContact O-N 3.07Å; S126-L130 WeakPolarHBondContact O-CB 3.14Å; S126-L130 WeakPolarHBondContact O-CG 3.47Å; S126-L130 PolarHBondContact O-N 2.87Å
127	M	98.3	Very high	96.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-49.1	174.8	-69.1	164.7	62	0	0	110.6	L98 I117 S123 T124 F129 L130 Y131 P206 I207 Y208	L98-M127 HydrophobicContact CD2-CG 4.34Å; I117-M127 HydrophobicContact CD1-CG 4.27Å; I117-M127 HydrophobicContact CG1-SD 4.43Å; I117-M127 HydrophobicContact CG2-CE 4.35Å; S123-M127 WeakPolarHBondContact O-CG 3.44Å; S123-M127 PolarHBondContact O-N 3.03Å; T124-M127 PolarHBondContact O-N 3.45Å; M127-F129 VanDerWaalsContact C-N 3.32Å; M127-F129 PolarHBondContact O-N 3.38Å; M127-L130 PolarHBondContact O-N 3.34Å; M127-Y131 HydrophobicContact CB-CD2 4.48Å; M127-Y131 WeakPolarHBondContact O-CB 3.38Å; M127-Y131 WeakPolarHBondContact O-CD2 3.5Å; M127-Y131 PolarHBondContact O-N 3.49Å; M127-P206 HydrophobicContact CE-CB 3.98Å; M127-I207 WeakPolarHBondContact CE-O 3.36Å; M127-Y208 HydrophobicContact CB-CE1 3.59Å; M127-Y208 HydrophobicContact CE-CD1 3.93Å; M127-Y208 HydrophobicContact CE-CD2 4.34Å; M127-Y208 HydrophobicContact CE-CE1 3.75Å; M127-Y208 HydrophobicContact CE-CE2 4.14Å; M127-Y208 HydrophobicContact CE-CG 4.25Å; M127-Y208 HydrophobicContact SD-CE1 4.32Å
128	A	97.1	Very high	96.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-44.6	176.6	0	0	0	0	0	112.3	T124 W125 L130 N132 M265 Q269	T124-A128 WeakPolarHBondContact O-CB 3.4Å; T124-A128 PolarHBondContact O-N 3.22Å; W125-A128 PolarHBondContact O-N 3.35Å; A128-L130 PolarHBondContact O-N 2.91Å; A128-N132 PolarHBondContact O-N 3.33Å; A128-M265 HydrophobicContact CB-CE 3.54Å; A128-Q269 HydrophobicContact CB-CG 3.69Å
129	F	96.8	Very high	96.2	Very high	14 Å²	14	21.8 Å²	21.8	6%	0.061	12%	0.122	C	C	.	.	H	α-helix	trans	-57.4	-49.5	175.2	172.3	-94.5	0	0	0	112.6	I99 W125 S126 M127 A143 K146 L147 M185 Q187	I99-F129 HydrophobicContact CD1-CD1 3.88Å; I99-F129 HydrophobicContact CD1-CE1 4.06Å; W125-F129 VanDerWaalsContact O-CB 3.27Å; W125-F129 WeakPolarHBondContact O-CB 3.37Å; W125-F129 PolarHBondContact O-N 2.83Å; S126-F129 PolarHBondContact O-N 3.07Å; M127-F129 VanDerWaalsContact C-N 3.32Å; M127-F129 PolarHBondContact O-N 3.38Å; F129-A143 HydrophobicContact CE1-CB 4.19Å; F129-A143 WeakPolarHBondContact CE1-O 3.46Å; F129-A143 WeakPolarHBondContact CZ-O 3.48Å; F129-K146 HydrophobicContact CE2-CB 4.06Å; F129-K146 HydrophobicContact CZ-CB 3.57Å; F129-L147 HydrophobicContact CE1-CD2 4.15Å; F129-L147 HydrophobicContact CE1-CG 4.18Å; F129-L147 HydrophobicContact CE2-CD2 4.38Å; F129-L147 HydrophobicContact CZ-CD2 3.99Å; F129-L147 HydrophobicContact CZ-CG 4.05Å; F129-M185 HydrophobicContact CB-CE 3.64Å; F129-M185 HydrophobicContact CD1-CE 4.23Å; F129-M185 HydrophobicContact CD2-CB 4.49Å; F129-M185 HydrophobicContact CD2-CE 4.04Å; F129-M185 HydrophobicContact CG-CE 3.72Å; F129-Q187 HydrophobicContact CD2-CB 4.4Å
130	L	97.3	Very high	96.2	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-67.4	-48.1	-178.3	-71.5	169.9	0	0	0	111.9	I99 L102 S126 M127 A128 N132 D133 W136 M140 A143	I99-L130 HydrophobicContact CG1-CD1 4.35Å; L102-L130 HydrophobicContact CD1-CD1 3.44Å; L102-L130 VanDerWaalsContact CD1-CD1 3.44Å; S126-L130 WeakPolarHBondContact O-CB 3.14Å; S126-L130 WeakPolarHBondContact O-CG 3.47Å; S126-L130 PolarHBondContact O-N 2.87Å; M127-L130 PolarHBondContact O-N 3.34Å; A128-L130 PolarHBondContact O-N 2.91Å; L130-N132 PolarHBondContact O-N 2.68Å; L130-N132 VanDerWaalsContact O-N 3.08Å; L130-D133 PolarHBondContact O-N 3.33Å; L130-W136 HydrophobicContact CB-CB 4.38Å; L130-W136 HydrophobicContact CB-CD2 3.85Å; L130-W136 HydrophobicContact CB-CE3 4.17Å; L130-W136 HydrophobicContact CB-CG 3.95Å; L130-W136 HydrophobicContact CD1-CE3 4.08Å; L130-W136 HydrophobicContact CD1-CH2 4.37Å; L130-W136 HydrophobicContact CD1-CZ3 4.01Å; L130-W136 HydrophobicContact CD2-CD2 4.43Å; L130-W136 HydrophobicContact CD2-CE3 4Å; L130-W136 HydrophobicContact CG-CD2 4.49Å; L130-W136 HydrophobicContact CG-CE3 4.31Å; L130-W136 VanDerWaalsContact O-CB 3.25Å; L130-W136 WeakPolarHBondContact O-CB 3.29Å; L130-M140 HydrophobicContact CD2-CE 3.97Å; L130-M140 HydrophobicContact CD2-SD 4.02Å; L130-A143 HydrophobicContact CD2-CB 3.53Å
131	Y	96.8	Very high	96.1	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-69.5	-8.1	-176.3	-78.9	-103.2	0	0	0	113.1	I117 M127 D133 W136 R191 R199 N203 P204 P206	I117-Y131 HydrophobicContact CG2-CE2 4.09Å; I117-Y131 WeakPolarHBondContact CG2-OH 3.31Å; M127-Y131 HydrophobicContact CB-CD2 4.48Å; M127-Y131 WeakPolarHBondContact O-CB 3.38Å; M127-Y131 WeakPolarHBondContact O-CD2 3.5Å; M127-Y131 PolarHBondContact O-N 3.49Å; Y131-D133 PolarHBondContact O-N 2.98Å; Y131-W136 AromaticContact CD1-NE1 3.78Å; Y131-W136 HydrophobicContact CD2-CZ2 4.36Å; Y131-W136 AromaticContact CD2-NE1 3.46Å; Y131-W136 AromaticContact CE1-NE1 3.69Å; Y131-W136 AromaticContact CE2-CE2 3.71Å; Y131-W136 AromaticContact CE2-CZ2 3.59Å; Y131-W136 HydrophobicContact CE2-CZ2 3.59Å; Y131-W136 AromaticContact CE2-NE1 3.42Å; Y131-W136 AromaticContact CG-NE1 3.68Å; Y131-W136 AromaticContact CZ-CE2 3.97Å; Y131-W136 AromaticContact CZ-CZ2 3.8Å; Y131-W136 AromaticContact CZ-NE1 3.53Å; Y131-R191 VanDerWaalsContact C-NH2 3.27Å; Y131-R191 PolarHBondContact O-NH2 3.33Å; Y131-R191 VanDerWaalsContact O-NH2 3.14Å; Y131-R199 PolarHBondContact O-NH1 3.48Å; Y131-N203 HydrophobicContact CE1-CB 3.93Å; Y131-P204 PolarHBondContact OH-O 3.49Å; Y131-P206 HydrophobicContact CD1-CB 4.38Å; Y131-P206 HydrophobicContact CD1-CG 3.98Å; Y131-P206 HydrophobicContact CE1-CB 3.83Å; Y131-P206 HydrophobicContact CE1-CG 3.53Å; Y131-P206 HydrophobicContact CE2-CB 4.06Å
132	N	93.8	Very high	96.1	Very high	60 Å²	60	29 Å²	29	32%	0.321	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23	167.7	-169	58.6	0	0	0	113.2	A128 L130 Q187 D189 R191	A128-N132 PolarHBondContact O-N 3.33Å; L130-N132 PolarHBondContact O-N 2.68Å; L130-N132 VanDerWaalsContact O-N 3.08Å; N132-Q187 PolarHBondContact ND2-NE2 3.2Å; N132-D189 PolarHBondContact OD1-OD1 3Å; N132-R191 VanDerWaalsContact CA-NH2 3.29Å; N132-R191 PolarHBondContact OD1-NE 3.44Å
133	D	94	Very high	96	Very high	33 Å²	33	29.3 Å²	29.3	18%	0.176	16%	0.16	C	C	.	.	S	Bend	trans	-96.2	116	166.8	177.4	0.9	0	0	0	110.2	L130 Y131 Q135 W136	L130-D133 PolarHBondContact O-N 3.33Å; Y131-D133 PolarHBondContact O-N 2.98Å; D133-Q135 PolarHBondContact O-N 2.92Å; D133-Q135 PolarHBondContact OD1-N 2.88Å; D133-W136 HydrophobicContact CB-CB 4.05Å; D133-W136 PolarHBondContact O-N 2.9Å
134	P	93.4	Very high	95.8	Very high	61 Å²	61	30.4 Å²	30.4	40%	0.396	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.4	177.1	-22.9	33	0	0	0	114.9	T202 N203	P134-T202 PolarHBondContact O-OG1 2.84Å; P134-N203 PolarHBondContact O-ND2 3.08Å
135	Q	93.1	Very high	95.6	Very high	132 Å²	132	34.4 Å²	34.4	62%	0.617	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.3	20.8	-177.9	-61.6	-171.7	-30.6	0	0	113.2	D133 S137 S138	D133-Q135 PolarHBondContact O-N 2.92Å; D133-Q135 PolarHBondContact OD1-N 2.88Å; Q135-S137 PolarHBondContact O-N 3.33Å; Q135-S137 VanDerWaalsContact O-N 3.09Å; Q135-S138 PolarHBondContact O-N 2.91Å
136	W	96.3	Very high	95.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-54.2	-35.4	-173.3	73.8	-100.8	0	0	0	113.9	L102 L111 L130 Y131 D133 S138 N139 M140 N203	L102-W136 HydrophobicContact CB-CZ3 4.38Å; L102-W136 HydrophobicContact CD1-CH2 4.03Å; L102-W136 HydrophobicContact CD1-CZ3 4.03Å; L102-W136 HydrophobicContact CD2-CH2 4.29Å; L111-W136 HydrophobicContact CD1-CH2 4.33Å; L111-W136 HydrophobicContact CD1-CZ3 4.46Å; L111-W136 HydrophobicContact CD2-CH2 4.35Å; L111-W136 HydrophobicContact CD2-CZ3 3.83Å; L130-W136 HydrophobicContact CB-CB 4.38Å; L130-W136 HydrophobicContact CB-CD2 3.85Å; L130-W136 HydrophobicContact CB-CE3 4.17Å; L130-W136 HydrophobicContact CB-CG 3.95Å; L130-W136 HydrophobicContact CD1-CE3 4.08Å; L130-W136 HydrophobicContact CD1-CH2 4.37Å; L130-W136 HydrophobicContact CD1-CZ3 4.01Å; L130-W136 HydrophobicContact CD2-CD2 4.43Å; L130-W136 HydrophobicContact CD2-CE3 4Å; L130-W136 HydrophobicContact CG-CD2 4.49Å; L130-W136 HydrophobicContact CG-CE3 4.31Å; L130-W136 VanDerWaalsContact O-CB 3.25Å; L130-W136 WeakPolarHBondContact O-CB 3.29Å; Y131-W136 AromaticContact CD1-NE1 3.78Å; Y131-W136 HydrophobicContact CD2-CZ2 4.36Å; Y131-W136 AromaticContact CD2-NE1 3.46Å; Y131-W136 AromaticContact CE1-NE1 3.69Å; Y131-W136 AromaticContact CE2-CE2 3.71Å; Y131-W136 AromaticContact CE2-CZ2 3.59Å; Y131-W136 HydrophobicContact CE2-CZ2 3.59Å; Y131-W136 AromaticContact CE2-NE1 3.42Å; Y131-W136 AromaticContact CG-NE1 3.68Å; Y131-W136 AromaticContact CZ-CE2 3.97Å; Y131-W136 AromaticContact CZ-CZ2 3.8Å; Y131-W136 AromaticContact CZ-NE1 3.53Å; D133-W136 HydrophobicContact CB-CB 4.05Å; D133-W136 PolarHBondContact O-N 2.9Å; W136-S138 PolarHBondContact O-N 3.12Å; W136-S138 VanDerWaalsContact O-N 3.12Å; W136-N139 CarbonylContact O-C 3.56Å; W136-N139 PolarHBondContact O-N 3.22Å; W136-M140 HydrophobicContact CE3-SD 3.47Å; W136-M140 HydrophobicContact CZ3-SD 3.67Å; W136-N203 VanDerWaalsContact CD1-CG 3.45Å; W136-N203 HydrophobicContact CZ2-CB 4.4Å; W136-N203 VanDerWaalsContact NE1-CG 3.28Å
137	S	96.7	Very high	94.9	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-63.4	-19.9	-178	67	0	0	0	0	113.3	E106 L111 Q135 T202 N203	E106-S137 WeakPolarHBondContact CG-O 3.16Å; L111-S137 WeakPolarHBondContact CD2-O 3.45Å; Q135-S137 PolarHBondContact O-N 3.33Å; Q135-S137 VanDerWaalsContact O-N 3.09Å; S137-T202 PolarHBondContact OG-O 3.17Å; S137-N203 VanDerWaalsContact CB-OD1 3.24Å; S137-N203 WeakPolarHBondContact CB-OD1 3.35Å; S137-N203 PolarHBondContact N-OD1 2.94Å; S137-N203 PolarHBondContact OG-OD1 3.12Å
138	S	93.8	Very high	94.3	Very high	80 Å²	80	40.9 Å²	40.9	56%	0.559	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-103	-0.6	176.7	-56.9	0	0	0	0	113.2	Q135 W136	Q135-S138 PolarHBondContact O-N 2.91Å; W136-S138 PolarHBondContact O-N 3.12Å; W136-S138 VanDerWaalsContact O-N 3.12Å
139	N	94.1	Very high	93.6	Very high	55 Å²	55	41.9 Å²	41.9	29%	0.294	24%	0.239	S	C	.	.			trans	-142.2	51.4	-171.8	-167.3	10.4	0	0	0	112.6	W136 D141 E142 A143	W136-N139 CarbonylContact O-C 3.56Å; W136-N139 PolarHBondContact O-N 3.22Å; N139-D141 PolarHBondContact O-N 3Å; N139-E142 WeakPolarHBondContact ND2-CB 3.39Å; N139-E142 PolarHBondContact ND2-OE2 3.27Å; N139-E142 PolarHBondContact O-N 3.48Å; N139-E142 WeakPolarHBondContact OD1-CB 3.31Å; N139-E142 PolarHBondContact OD1-N 3.33Å; N139-A143 PolarHBondContact O-N 2.96Å
140	M	97.3	Very high	93	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-21.2	179.3	-71.7	-59.2	-54.4	0	0	113.6	I99 L102 Y103 E106 L111 L130 W136 A143 V144	I99-M140 HydrophobicContact CG2-CE 3.96Å; I99-M140 WeakPolarHBondContact O-CE 3.34Å; L102-M140 HydrophobicContact CB-CE 3.87Å; L102-M140 HydrophobicContact CB-SD 4.32Å; Y103-M140 HydrophobicContact CD2-CB 3.71Å; Y103-M140 HydrophobicContact CE2-CB 4.44Å; Y103-M140 HydrophobicContact CG-CB 4.33Å; E106-M140 HydrophobicContact CB-CB 4.33Å; E106-M140 HydrophobicContact CB-CG 3.78Å; E106-M140 HydrophobicContact CG-CB 4.42Å; E106-M140 HydrophobicContact CG-CG 4.08Å; L111-M140 HydrophobicContact CD2-CG 4.36Å; L130-M140 HydrophobicContact CD2-CE 3.97Å; L130-M140 HydrophobicContact CD2-SD 4.02Å; W136-M140 HydrophobicContact CE3-SD 3.47Å; W136-M140 HydrophobicContact CZ3-SD 3.67Å; M140-A143 HydrophobicContact CE-CB 4.24Å; M140-A143 PolarHBondContact O-N 3.25Å; M140-A143 HydrophobicContact SD-CB 4.48Å; M140-V144 WeakPolarHBondContact O-CG2 3.46Å; M140-V144 PolarHBondContact O-N 3.11Å
141	D	96.1	Very high	92.4	Very high	78 Å²	78	47.7 Å²	47.7	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-41	173.6	-66.3	-64.4	0	0	0	111.8	Y103 K107 N139 V144 S145	Y103-D141 WeakPolarHBondContact CE2-OD1 3.48Å; Y103-D141 PolarHBondContact OH-OD1 2.86Å; K107-D141 IonicContact NZ-OD1 3.96Å; K107-D141 IonicContact NZ-OD2 2.68Å; K107-D141 PolarHBondContact NZ-OD2 2.79Å; N139-D141 PolarHBondContact O-N 3Å; D141-V144 PolarHBondContact O-N 2.77Å; D141-S145 WeakPolarHBondContact O-CB 3.32Å; D141-S145 PolarHBondContact O-N 2.92Å
142	E	94.6	Very high	92.3	Very high	80 Å²	80	48.7 Å²	48.7	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-40.6	175.4	-176	172.1	161.4	0	0	111.6	N139 V144 S145 K146	N139-E142 WeakPolarHBondContact ND2-CB 3.39Å; N139-E142 PolarHBondContact ND2-OE2 3.27Å; N139-E142 PolarHBondContact O-N 3.48Å; N139-E142 WeakPolarHBondContact OD1-CB 3.31Å; N139-E142 PolarHBondContact OD1-N 3.33Å; E142-V144 PolarHBondContact O-N 3.04Å; E142-S145 PolarHBondContact O-N 2.77Å; E142-K146 HydrophobicContact CG-CD 4.24Å; E142-K146 HydrophobicContact CG-CG 4.49Å; E142-K146 WeakPolarHBondContact O-CB 3.41Å; E142-K146 WeakPolarHBondContact O-CG 3.05Å; E142-K146 PolarHBondContact O-N 3.08Å; E142-K146 WeakPolarHBondContact OE1-CE 3.45Å; E142-K146 IonicContact OE1-NZ 2.8Å; E142-K146 PolarHBondContact OE1-NZ 3.12Å
143	A	94.4	Very high	92.2	Very high	8 Å²	8	48.6 Å²	48.6	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-46.3	175.6	0	0	0	0	0	112	F129 L130 N139 M140 K146 L147	F129-A143 HydrophobicContact CE1-CB 4.19Å; F129-A143 WeakPolarHBondContact CE1-O 3.46Å; F129-A143 WeakPolarHBondContact CZ-O 3.48Å; L130-A143 HydrophobicContact CD2-CB 3.53Å; N139-A143 PolarHBondContact O-N 2.96Å; M140-A143 HydrophobicContact CE-CB 4.24Å; M140-A143 PolarHBondContact O-N 3.25Å; M140-A143 HydrophobicContact SD-CB 4.48Å; A143-K146 PolarHBondContact O-N 3.25Å; A143-L147 PolarHBondContact O-N 3.31Å
144	V	95.4	Very high	92.2	Very high	24 Å²	24	47.1 Å²	47.1	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-41.7	176.3	169.2	0	0	0	0	111.5	I99 Y103 M140 D141 E142 K146 L147 L550	I99-V144 HydrophobicContact CG2-CG2 4Å; Y103-V144 HydrophobicContact CD2-CB 4.47Å; Y103-V144 HydrophobicContact CD2-CG2 3.56Å; Y103-V144 HydrophobicContact CE2-CG2 4.17Å; Y103-V144 HydrophobicContact CG-CG2 4.23Å; M140-V144 WeakPolarHBondContact O-CG2 3.46Å; M140-V144 PolarHBondContact O-N 3.11Å; D141-V144 PolarHBondContact O-N 2.77Å; E142-V144 PolarHBondContact O-N 3.04Å; V144-K146 VanDerWaalsContact C-N 3.33Å; V144-K146 PolarHBondContact O-N 2.98Å; V144-L147 WeakPolarHBondContact O-CB 3.39Å; V144-L147 PolarHBondContact O-N 2.79Å; V144-L550 HydrophobicContact CG1-CD1 4.2Å
145	S	93	Very high	92.3	Very high	85 Å²	85	48.4 Å²	48.4	59%	0.594	28%	0.28	S	S	*	.	H	α-helix	trans	-60	-42.4	176.6	-176.2	0	0	0	0	112.2	D141 E142 L147 S148 G149	D141-S145 WeakPolarHBondContact O-CB 3.32Å; D141-S145 PolarHBondContact O-N 2.92Å; E142-S145 PolarHBondContact O-N 2.77Å; S145-L147 VanDerWaalsContact C-N 3.34Å; S145-L147 PolarHBondContact O-N 2.71Å; S145-S148 PolarHBondContact O-N 3.4Å; S145-G149 PolarHBondContact O-N 2.67Å
146	K	91.3	Very high	92.4	Very high	85 Å²	85	47.7 Å²	47.7	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-33.2	178.5	-78.8	175	-177.5	163.2	0	113.3	F129 E142 A143 V144 S148 G149	F129-K146 HydrophobicContact CE2-CB 4.06Å; F129-K146 HydrophobicContact CZ-CB 3.57Å; E142-K146 HydrophobicContact CG-CD 4.24Å; E142-K146 HydrophobicContact CG-CG 4.49Å; E142-K146 WeakPolarHBondContact O-CB 3.41Å; E142-K146 WeakPolarHBondContact O-CG 3.05Å; E142-K146 PolarHBondContact O-N 3.08Å; E142-K146 WeakPolarHBondContact OE1-CE 3.45Å; E142-K146 IonicContact OE1-NZ 2.8Å; E142-K146 PolarHBondContact OE1-NZ 3.12Å; A143-K146 PolarHBondContact O-N 3.25Å; V144-K146 VanDerWaalsContact C-N 3.33Å; V144-K146 PolarHBondContact O-N 2.98Å; K146-S148 VanDerWaalsContact C-N 3.26Å; K146-S148 PolarHBondContact O-N 3.48Å; K146-G149 WeakPolarHBondContact O-CA 3.37Å; K146-G149 PolarHBondContact O-N 2.9Å
147	L	89.8	Confident	92.3	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-59.6	-37	175.6	-74.4	176	0	0	0	112.8	I99 F129 A143 V144 S145 G149 M185 K186 L550	I99-L147 HydrophobicContact CB-CD1 4.17Å; I99-L147 HydrophobicContact CD1-CD1 3.66Å; I99-L147 HydrophobicContact CD1-CD2 3.72Å; I99-L147 HydrophobicContact CD1-CG 4Å; I99-L147 HydrophobicContact CG1-CD1 4.5Å; I99-L147 HydrophobicContact CG2-CD1 3.78Å; F129-L147 HydrophobicContact CE1-CD2 4.15Å; F129-L147 HydrophobicContact CE1-CG 4.18Å; F129-L147 HydrophobicContact CE2-CD2 4.38Å; F129-L147 HydrophobicContact CZ-CD2 3.99Å; F129-L147 HydrophobicContact CZ-CG 4.05Å; A143-L147 PolarHBondContact O-N 3.31Å; V144-L147 WeakPolarHBondContact O-CB 3.39Å; V144-L147 PolarHBondContact O-N 2.79Å; S145-L147 VanDerWaalsContact C-N 3.34Å; S145-L147 PolarHBondContact O-N 2.71Å; L147-G149 VanDerWaalsContact C-N 3.27Å; L147-M185 HydrophobicContact CD2-CE 3.86Å; L147-K186 PolarHBondContact O-NZ 3.12Å; L147-L550 HydrophobicContact CD1-CD1 4.17Å; L147-L550 HydrophobicContact CD1-CD2 3.99Å
148	S	84.6	Confident	92.3	Very high	45 Å²	45	48.3 Å²	48.3	32%	0.315	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.2	175.9	-59.4	0	0	0	0	113	S145 K146	S145-S148 PolarHBondContact O-N 3.4Å; K146-S148 VanDerWaalsContact C-N 3.26Å; K146-S148 PolarHBondContact O-N 3.48Å
149	G	84.1	Confident	92.4	Very high	21 Å²	21	46.9 Å²	46.9	22%	0.216	27%	0.274	C	S	.	.	S	Bend	trans	-67.1	176.2	178.8	0	0	0	0	0	114.2	S145 K146 L147 K186	S145-G149 PolarHBondContact O-N 2.67Å; K146-G149 WeakPolarHBondContact O-CA 3.37Å; K146-G149 PolarHBondContact O-N 2.9Å; L147-G149 VanDerWaalsContact C-N 3.27Å; G149-K186 WeakPolarHBondContact O-CD 3.42Å; G149-K186 PolarHBondContact O-NZ 2.77Å
150	P	84.3	Confident	92.5	Very high	111 Å²	111	44.3 Å²	44.3	72%	0.721	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-63.1	148.9	174.3	28.6	-34.5	0	0	0	111
151	G	84.6	Confident	92.5	Very high	29 Å²	29	44.4 Å²	44.4	30%	0.299	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-70.4	172.2	174.7	0	0	0	0	0	113.1
152	V	92.9	Very high	92.5	Very high	21 Å²	21	42.4 Å²	42.4	13%	0.127	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-85.8	124.4	167.1	172.8	0	0	0	0	108.3	H156 A182 L188 T318	V152-H156 HydrophobicContact CG1-CB 3.83Å; V152-A182 HydrophobicContact CB-CB 3.81Å; V152-A182 HydrophobicContact CG1-CB 4.03Å; V152-L188 HydrophobicContact CG1-CD1 3.76Å; V152-L188 HydrophobicContact CG1-CG 3.91Å; V152-L188 HydrophobicContact CG2-CG 4.21Å; V152-T318 WeakPolarHBondContact O-CB 3.3Å
153	E	92.8	Very high	92.5	Very high	58 Å²	58	43.5 Å²	43.5	27%	0.271	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-62.8	142.4	175.9	-57	-58.5	129.7	0	0	111.7	E155 H156 Q320	E153-E155 PolarHBondContact O-N 3.22Å; E153-E155 VanDerWaalsContact O-N 3.09Å; E153-H156 PolarHBondContact O-N 2.91Å; E153-Q320 PolarHBondContact OE1-NE2 2.73Å
154	L	94.4	Very high	92.5	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-50.4	-37.5	-176.2	-180	59.9	0	0	0	113.6	H156 A157 V158 T315 T318 I319 F382 L389	L154-H156 PolarHBondContact O-N 2.99Å; L154-A157 PolarHBondContact O-N 2.89Å; L154-A157 VanDerWaalsContact O-N 3.15Å; L154-V158 HydrophobicContact CD1-CG2 4Å; L154-V158 HydrophobicContact CG-CG2 4.09Å; L154-V158 WeakPolarHBondContact O-CG2 3.4Å; L154-V158 PolarHBondContact O-N 3.26Å; L154-T315 HydrophobicContact CD1-CG2 4.06Å; L154-T315 HydrophobicContact CD2-CG2 4.06Å; L154-T318 WeakPolarHBondContact CD1-OG1 3.31Å; L154-T318 PolarHBondContact N-O 3.37Å; L154-I319 HydrophobicContact CB-CG1 4.21Å; L154-I319 HydrophobicContact CD2-CD1 3.99Å; L154-I319 HydrophobicContact CD2-CG1 4.04Å; L154-F382 HydrophobicContact CD2-CD2 4.44Å; L154-L389 HydrophobicContact CD1-CD1 4.13Å
155	E	93.8	Very high	92.4	Very high	87 Å²	87	45.1 Å²	45.1	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-35.4	-178.6	-66.7	74.2	-163.2	0	0	112.4	E153 A159	E153-E155 PolarHBondContact O-N 3.22Å; E153-E155 VanDerWaalsContact O-N 3.09Å; E155-A159 VanDerWaalsContact O-CB 3.26Å; E155-A159 WeakPolarHBondContact O-CB 3.07Å; E155-A159 PolarHBondContact O-N 2.85Å
156	H	95.1	Very high	92.4	Very high	117 Å²	117	49.1 Å²	49.1	54%	0.542	28%	0.275	S	S	.	.	H	α-helix	trans	-71.5	-39	177.9	-62.2	109.4	0	0	0	111.7	V152 E153 L154 A159 W160 L188	V152-H156 HydrophobicContact CG1-CB 3.83Å; E153-H156 PolarHBondContact O-N 2.91Å; L154-H156 PolarHBondContact O-N 2.99Å; H156-A159 PolarHBondContact O-N 3.49Å; H156-W160 PolarHBondContact O-N 3.42Å; H156-W160 VanDerWaalsContact O-N 3.1Å; H156-L188 HydrophobicContact CB-CD1 4.09Å
157	A	95.8	Very high	92.3	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-44.7	174.4	0	0	0	0	0	110.9	L154 A159 W160 L161 V178 A182	L154-A157 PolarHBondContact O-N 2.89Å; L154-A157 VanDerWaalsContact O-N 3.15Å; A157-A159 PolarHBondContact O-N 2.76Å; A157-W160 PolarHBondContact O-N 3.17Å; A157-L161 WeakPolarHBondContact O-CG 3.5Å; A157-L161 PolarHBondContact O-N 3.11Å; A157-V178 HydrophobicContact CB-CG2 3.8Å; A157-A182 HydrophobicContact CB-CB 4.31Å
158	V	96.1	Very high	92.2	Very high	17 Å²	17	53 Å²	53	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-39.6	176.2	169.6	0	0	0	0	111.8	L154 W160 L161 A162 F388 L389	L154-V158 HydrophobicContact CD1-CG2 4Å; L154-V158 HydrophobicContact CG-CG2 4.09Å; L154-V158 WeakPolarHBondContact O-CG2 3.4Å; L154-V158 PolarHBondContact O-N 3.26Å; V158-W160 VanDerWaalsContact C-N 3.35Å; V158-W160 PolarHBondContact O-N 3Å; V158-L161 PolarHBondContact O-N 2.95Å; V158-A162 WeakPolarHBondContact O-CB 3.35Å; V158-A162 PolarHBondContact O-N 2.9Å; V158-F388 HydrophobicContact CG1-CB 4.43Å; V158-F388 HydrophobicContact CG1-CD1 3.7Å; V158-F388 HydrophobicContact CG1-CE1 4.23Å; V158-F388 HydrophobicContact CG1-CG 4.14Å; V158-L389 HydrophobicContact CG2-CD1 4.23Å; V158-L389 HydrophobicContact CG2-CD2 4.23Å; V158-L389 HydrophobicContact CG2-CG 4.1Å
159	A	96.1	Very high	92.5	Very high	50 Å²	50	52.1 Å²	52.1	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-43.3	176.2	0	0	0	0	0	111.8	E155 H156 A157 A162 E163	E155-A159 VanDerWaalsContact O-CB 3.26Å; E155-A159 WeakPolarHBondContact O-CB 3.07Å; E155-A159 PolarHBondContact O-N 2.85Å; H156-A159 PolarHBondContact O-N 3.49Å; A157-A159 PolarHBondContact O-N 2.76Å; A159-A162 PolarHBondContact O-N 3.25Å; A159-E163 PolarHBondContact O-N 2.75Å
160	W	97	Very high	92.9	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-44.9	174.3	-176.7	88.8	0	0	0	111.5	H156 A157 V158 A162 E163 Q164 D174 V178 D264 I266 R267	H156-W160 PolarHBondContact O-N 3.42Å; H156-W160 VanDerWaalsContact O-N 3.1Å; A157-W160 PolarHBondContact O-N 3.17Å; V158-W160 VanDerWaalsContact C-N 3.35Å; V158-W160 PolarHBondContact O-N 3Å; W160-A162 VanDerWaalsContact C-N 3.3Å; W160-A162 PolarHBondContact O-N 3.22Å; W160-E163 WeakPolarHBondContact O-CB 3.19Å; W160-E163 PolarHBondContact O-N 2.9Å; W160-Q164 HydrophobicContact CD2-CG 3.7Å; W160-Q164 HydrophobicContact CE3-CG 3.76Å; W160-Q164 HydrophobicContact CG-CG 4.5Å; W160-Q164 HydrophobicContact CH2-CB 4.4Å; W160-Q164 HydrophobicContact CH2-CG 3.55Å; W160-Q164 HydrophobicContact CZ2-CG 3.46Å; W160-Q164 VanDerWaalsContact CZ2-CG 3.46Å; W160-Q164 HydrophobicContact CZ3-CB 4.29Å; W160-Q164 HydrophobicContact CZ3-CG 3.69Å; W160-Q164 WeakPolarHBondContact O-CG 3.49Å; W160-Q164 PolarHBondContact O-N 2.84Å; W160-D174 HydrophobicContact CH2-CB 4.38Å; W160-D174 HydrophobicContact CZ3-CB 4.23Å; W160-V178 HydrophobicContact CB-CG2 4.48Å; W160-V178 HydrophobicContact CD2-CG2 4.22Å; W160-V178 HydrophobicContact CE3-CB 3.72Å; W160-V178 HydrophobicContact CE3-CG1 4.35Å; W160-V178 HydrophobicContact CE3-CG2 3.74Å; W160-V178 HydrophobicContact CZ3-CB 3.83Å; W160-V178 HydrophobicContact CZ3-CG1 4.43Å; W160-V178 HydrophobicContact CZ3-CG2 4.36Å; W160-D264 WeakPolarHBondContact CZ2-OD1 3.41Å; W160-D264 PolarHBondContact NE1-OD2 3.28Å; W160-I266 HydrophobicContact CD2-CD1 4.43Å; W160-I266 HydrophobicContact CD2-CG2 4.32Å; W160-I266 HydrophobicContact CE3-CG2 4.35Å; W160-I266 HydrophobicContact CG-CD1 4.38Å; W160-I266 HydrophobicContact CH2-CB 4.28Å; W160-I266 HydrophobicContact CH2-CG2 3.69Å; W160-I266 HydrophobicContact CZ2-CB 3.77Å; W160-I266 HydrophobicContact CZ2-CG2 3.65Å; W160-I266 HydrophobicContact CZ3-CG2 4.06Å; W160-R267 HydrophobicContact CH2-CB 4.29Å; W160-R267 HydrophobicContact CZ2-CB 4.27Å
161	L	96.7	Very high	93.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-35.1	176	-71.1	173.3	0	0	0	113.3	A157 V158 E163 Q164 S165 F170 D174 I175 V178 F388 L389	A157-L161 WeakPolarHBondContact O-CG 3.5Å; A157-L161 PolarHBondContact O-N 3.11Å; V158-L161 PolarHBondContact O-N 2.95Å; L161-E163 PolarHBondContact O-N 3.09Å; L161-Q164 PolarHBondContact O-N 3.27Å; L161-S165 VanDerWaalsContact O-CB 3.24Å; L161-S165 WeakPolarHBondContact O-CB 3.4Å; L161-S165 PolarHBondContact O-N 3.3Å; L161-S165 PolarHBondContact O-OG 3.18Å; L161-F170 HydrophobicContact CD2-CE2 3.88Å; L161-F170 HydrophobicContact CD2-CZ 4.05Å; L161-D174 HydrophobicContact CD2-CB 4.49Å; L161-I175 HydrophobicContact CD1-CD1 3.91Å; L161-I175 HydrophobicContact CD2-CD1 3.78Å; L161-I175 HydrophobicContact CG-CD1 4.47Å; L161-V178 HydrophobicContact CD1-CG1 3.84Å; L161-V178 HydrophobicContact CD2-CG1 3.78Å; L161-V178 HydrophobicContact CG-CG1 3.79Å; L161-F388 HydrophobicContact CB-CE1 3.71Å; L161-F388 HydrophobicContact CB-CZ 4.18Å; L161-L389 HydrophobicContact CD1-CD2 3.54Å
162	A	95.8	Very high	93.8	Very high	37 Å²	37	45.5 Å²	45.5	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-27.6	176.2	0	0	0	0	0	112.4	V158 A159 W160 S165 K166 F388	V158-A162 WeakPolarHBondContact O-CB 3.35Å; V158-A162 PolarHBondContact O-N 2.9Å; A159-A162 PolarHBondContact O-N 3.25Å; W160-A162 VanDerWaalsContact C-N 3.3Å; W160-A162 PolarHBondContact O-N 3.22Å; A162-S165 PolarHBondContact O-OG 2.74Å; A162-K166 WeakPolarHBondContact O-CE 3.44Å; A162-F388 HydrophobicContact CB-CE2 4.07Å; A162-F388 HydrophobicContact CB-CZ 3.96Å
163	E	94.6	Very high	93.9	Very high	103 Å²	103	44.7 Å²	44.7	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-75.3	-51.5	171.1	-66.3	171.1	171.2	0	0	110.5	A159 W160 L161 S165 K166	A159-E163 PolarHBondContact O-N 2.75Å; W160-E163 WeakPolarHBondContact O-CB 3.19Å; W160-E163 PolarHBondContact O-N 2.9Å; L161-E163 PolarHBondContact O-N 3.09Å; E163-S165 PolarHBondContact O-N 2.85Å; E163-K166 PolarHBondContact O-N 2.78Å
164	Q	94.4	Very high	94	Very high	32 Å²	32	42 Å²	42	15%	0.15	21%	0.214	C	C	.	.	H	α-helix	trans	-69.8	-27.6	-174.9	-60.1	-48.8	-50.1	0	0	114.6	W160 L161 K166 E167 F170	W160-Q164 HydrophobicContact CD2-CG 3.7Å; W160-Q164 HydrophobicContact CE3-CG 3.76Å; W160-Q164 HydrophobicContact CG-CG 4.5Å; W160-Q164 HydrophobicContact CH2-CB 4.4Å; W160-Q164 HydrophobicContact CH2-CG 3.55Å; W160-Q164 HydrophobicContact CZ2-CG 3.46Å; W160-Q164 VanDerWaalsContact CZ2-CG 3.46Å; W160-Q164 HydrophobicContact CZ3-CB 4.29Å; W160-Q164 HydrophobicContact CZ3-CG 3.69Å; W160-Q164 WeakPolarHBondContact O-CG 3.49Å; W160-Q164 PolarHBondContact O-N 2.84Å; L161-Q164 PolarHBondContact O-N 3.27Å; Q164-K166 PolarHBondContact O-N 3.49Å; Q164-E167 WeakPolarHBondContact O-CB 3.26Å; Q164-E167 PolarHBondContact O-N 3.39Å; Q164-F170 HydrophobicContact CB-CD2 3.98Å; Q164-F170 HydrophobicContact CB-CE2 4.08Å; Q164-F170 WeakPolarHBondContact O-CD2 3.37Å
165	S	93.6	Very high	94	Very high	34 Å²	34	41.9 Å²	41.9	24%	0.238	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-6.1	179.2	58.4	0	0	0	0	114.8	L161 A162 E163	L161-S165 VanDerWaalsContact O-CB 3.24Å; L161-S165 WeakPolarHBondContact O-CB 3.4Å; L161-S165 PolarHBondContact O-N 3.3Å; L161-S165 PolarHBondContact O-OG 3.18Å; A162-S165 PolarHBondContact O-OG 2.74Å; E163-S165 PolarHBondContact O-N 2.85Å
166	K	91.6	Very high	94.1	Very high	168 Å²	168	37.9 Å²	37.9	73%	0.73	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-14.4	174.7	-59.3	167.5	-170.1	161.4	0	112.8	A162 E163 Q164	A162-K166 WeakPolarHBondContact O-CE 3.44Å; E163-K166 PolarHBondContact O-N 2.78Å; Q164-K166 PolarHBondContact O-N 3.49Å
167	E	90.7	Very high	94.1	Very high	73 Å²	73	32.3 Å²	32.3	34%	0.341	17%	0.169	S	C	.	.	S	Bend	trans	-77.1	147.6	-179.4	-65.4	-62.1	152.6	0	0	111.4	Q164 H169 F170	Q164-E167 WeakPolarHBondContact O-CB 3.26Å; Q164-E167 PolarHBondContact O-N 3.39Å; E167-H169 VanDerWaalsContact C-N 3.31Å; E167-H169 PolarHBondContact O-N 3.48Å; E167-F170 WeakPolarHBondContact O-CB 3.49Å; E167-F170 PolarHBondContact O-N 2.88Å
168	E	88.1	Confident	94.1	Very high	103 Å²	103	32.3 Å²	32.3	48%	0.481	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-42.4	-176.7	-171.5	173.3	-177.5	0	0	112.4	F170 K250 K260	E168-F170 PolarHBondContact O-N 3.07Å; E168-K250 VanDerWaalsContact CD-NZ 3.29Å; E168-K250 IonicContact OE1-NZ 2.94Å; E168-K250 PolarHBondContact OE1-NZ 2.86Å; E168-K250 VanDerWaalsContact OE2-CE 3.28Å; E168-K250 WeakPolarHBondContact OE2-CE 3.37Å; E168-K250 IonicContact OE2-NZ 2.57Å; E168-K250 PolarHBondContact OE2-NZ 2.79Å; E168-K260 IonicContact OE2-NZ 3.53Å; E168-K260 PolarHBondContact OE2-NZ 3.23Å
169	H	90.4	Very high	93.9	Very high	27 Å²	27	31.6 Å²	31.6	13%	0.125	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	25.2	-175.2	-61.5	-27	0	0	0	113.8	E167 S171 R267 S406 E426	E167-H169 VanDerWaalsContact C-N 3.31Å; E167-H169 PolarHBondContact O-N 3.48Å; H169-S171 PolarHBondContact O-N 3.15Å; H169-R267 PolarHBondContact O-NH2 3.4Å; H169-R267 VanDerWaalsContact O-NH2 3.15Å; H169-S406 PolarHBondContact NE2-OG 3.16Å; H169-E426 IonicContact CE1-OE1 2.72Å; H169-E426 PolarHBondContact CE1-OE1 2.88Å; H169-E426 IonicContact ND1-OE1 3.36Å; H169-E426 IonicContact NE2-OE1 2.72Å
170	F	93.1	Very high	93.8	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.075	14%	0.144	C	C	.	.			trans	-63.3	124.6	174.9	-176.3	-107.9	0	0	0	111.6	L161 Q164 E167 E168 D174 I175 Q392 L396	L161-F170 HydrophobicContact CD2-CE2 3.88Å; L161-F170 HydrophobicContact CD2-CZ 4.05Å; Q164-F170 HydrophobicContact CB-CD2 3.98Å; Q164-F170 HydrophobicContact CB-CE2 4.08Å; Q164-F170 WeakPolarHBondContact O-CD2 3.37Å; E167-F170 WeakPolarHBondContact O-CB 3.49Å; E167-F170 PolarHBondContact O-N 2.88Å; E168-F170 PolarHBondContact O-N 3.07Å; F170-D174 VanDerWaalsContact CA-OD2 3.32Å; F170-D174 WeakPolarHBondContact CA-OD2 3.44Å; F170-D174 HydrophobicContact CD2-CB 3.68Å; F170-D174 WeakPolarHBondContact CD2-OD2 3.32Å; F170-D174 HydrophobicContact CE2-CB 3.5Å; F170-D174 HydrophobicContact CZ-CB 4.46Å; F170-I175 HydrophobicContact CZ-CD1 3.85Å; F170-I175 HydrophobicContact CZ-CG1 4.49Å; F170-Q392 HydrophobicContact CE1-CB 4.27Å; F170-L396 HydrophobicContact CD1-CD1 3.94Å; F170-L396 HydrophobicContact CE1-CD1 3.64Å; F170-L396 HydrophobicContact CZ-CD1 4.43Å
171	S	93.3	Very high	93.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.021	15%	0.145	C	C	.	.			trans	-149.4	-177.3	-170.2	69.4	0	0	0	0	113.4	H169 T173 D174 E401	H169-S171 PolarHBondContact O-N 3.15Å; S171-T173 PolarHBondContact O-N 3.19Å; S171-T173 VanDerWaalsContact O-N 3.16Å; S171-T173 WeakPolarHBondContact OG-CB 3.28Å; S171-T173 PolarHBondContact OG-N 3.39Å; S171-D174 PolarHBondContact N-OD2 3.37Å; S171-D174 WeakPolarHBondContact O-CB 3.36Å; S171-D174 PolarHBondContact O-N 3.07Å; S171-E401 WeakPolarHBondContact CB-O 3.32Å
172	L	93.4	Very high	93.6	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-23.9	176.2	-70.4	172.2	0	0	0	112.5	D174 I175 W176 L396 I397 W400 E401 W402	L172-D174 VanDerWaalsContact C-N 3.28Å; L172-D174 PolarHBondContact O-N 3.49Å; L172-I175 PolarHBondContact O-N 2.84Å; L172-W176 WeakPolarHBondContact O-CB 3.22Å; L172-W176 PolarHBondContact O-N 3.42Å; L172-L396 HydrophobicContact CD2-CB 3.7Å; L172-L396 HydrophobicContact CG-CB 3.91Å; L172-I397 HydrophobicContact CD2-CG1 3.95Å; L172-W400 HydrophobicContact CD1-CE3 4Å; L172-W400 HydrophobicContact CD1-CZ3 4.2Å; L172-E401 PolarHBondContact N-O 3.22Å; L172-W402 HydrophobicContact CB-CD2 3.71Å; L172-W402 HydrophobicContact CB-CE3 3.85Å; L172-W402 HydrophobicContact CB-CG 4.46Å; L172-W402 HydrophobicContact CB-CH2 3.67Å; L172-W402 HydrophobicContact CB-CZ2 3.5Å; L172-W402 HydrophobicContact CB-CZ3 3.84Å; L172-W402 HydrophobicContact CD1-CD2 4.43Å; L172-W402 HydrophobicContact CD1-CH2 4.48Å; L172-W402 HydrophobicContact CD1-CZ2 3.56Å; L172-W402 HydrophobicContact CG-CZ2 4.13Å
173	T	94.4	Very high	93.3	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-57.2	-40.4	172.7	-63.6	0	0	0	0	112.2	S171 W176 G177 V271 W402 G403	S171-T173 PolarHBondContact O-N 3.19Å; S171-T173 VanDerWaalsContact O-N 3.16Å; S171-T173 WeakPolarHBondContact OG-CB 3.28Å; S171-T173 PolarHBondContact OG-N 3.39Å; T173-W176 PolarHBondContact O-N 3.18Å; T173-G177 PolarHBondContact O-N 2.79Å; T173-V271 HydrophobicContact CG2-CB 4.29Å; T173-V271 HydrophobicContact CG2-CG2 3.64Å; T173-V271 VanDerWaalsContact CG2-N 3.27Å; T173-W402 WeakPolarHBondContact OG1-CA 3.24Å; T173-G403 PolarHBondContact OG1-N 3.35Å
174	D	95.7	Very high	93.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-70	-42.9	-179.6	-63.7	-68.5	0	0	0	111.7	W160 L161 F170 S171 L172 W176 G177 V178 R267	W160-D174 HydrophobicContact CH2-CB 4.38Å; W160-D174 HydrophobicContact CZ3-CB 4.23Å; L161-D174 HydrophobicContact CD2-CB 4.49Å; F170-D174 VanDerWaalsContact CA-OD2 3.32Å; F170-D174 WeakPolarHBondContact CA-OD2 3.44Å; F170-D174 HydrophobicContact CD2-CB 3.68Å; F170-D174 WeakPolarHBondContact CD2-OD2 3.32Å; F170-D174 HydrophobicContact CE2-CB 3.5Å; F170-D174 HydrophobicContact CZ-CB 4.46Å; S171-D174 PolarHBondContact N-OD2 3.37Å; S171-D174 WeakPolarHBondContact O-CB 3.36Å; S171-D174 PolarHBondContact O-N 3.07Å; L172-D174 VanDerWaalsContact C-N 3.28Å; L172-D174 PolarHBondContact O-N 3.49Å; D174-W176 VanDerWaalsContact C-N 3.35Å; D174-G177 PolarHBondContact O-N 3.35Å; D174-V178 PolarHBondContact O-N 2.85Å; D174-R267 WeakPolarHBondContact OD1-CG 3.46Å; D174-R267 IonicContact OD1-CZ 2.95Å; D174-R267 VanDerWaalsContact OD1-CZ 3.27Å; D174-R267 IonicContact OD1-NE 3.16Å; D174-R267 PolarHBondContact OD1-NE 2.95Å; D174-R267 IonicContact OD1-NH2 3.26Å; D174-R267 PolarHBondContact OD1-NH2 2.96Å; D174-R267 IonicContact OD2-CZ 3.89Å; D174-R267 IonicContact OD2-NE 2.75Å; D174-R267 IonicContact OD2-NH2 3.96Å; D174-R267 PolarHBondContact OD2-NH2 2.86Å
175	I	95	Very high	93.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-46.8	175.7	-54.3	-66.9	0	0	0	110	L161 F170 L172 V178 L179 L311 V393 L396	L161-I175 HydrophobicContact CD1-CD1 3.91Å; L161-I175 HydrophobicContact CD2-CD1 3.78Å; L161-I175 HydrophobicContact CG-CD1 4.47Å; F170-I175 HydrophobicContact CZ-CD1 3.85Å; F170-I175 HydrophobicContact CZ-CG1 4.49Å; L172-I175 PolarHBondContact O-N 2.84Å; I175-V178 WeakPolarHBondContact O-CG1 3.46Å; I175-L179 HydrophobicContact CG2-CD1 3.93Å; I175-L179 WeakPolarHBondContact O-CB 2.98Å; I175-L179 VanDerWaalsContact O-CG 3.28Å; I175-L179 WeakPolarHBondContact O-CG 3.48Å; I175-L179 PolarHBondContact O-N 2.79Å; I175-L311 HydrophobicContact CG2-CD1 4.15Å; I175-L311 HydrophobicContact CG2-CD2 3.6Å; I175-V393 HydrophobicContact CD1-CG2 3.8Å; I175-V393 HydrophobicContact CG1-CG2 4.01Å; I175-V393 HydrophobicContact CG2-CG2 3.87Å; I175-L396 HydrophobicContact CG1-CD1 4.33Å
176	W	94.2	Very high	93.1	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.015	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-44.3	179.3	-178.5	-111.5	0	0	0	112.2	W125 L172 T173 D174 L179 T180 G273 L276 N310 L314 W402 L539	W125-W176 HydrophobicContact CH2-CZ2 4.44Å; W125-W176 HydrophobicContact CZ2-CZ2 4.46Å; L172-W176 WeakPolarHBondContact O-CB 3.22Å; L172-W176 PolarHBondContact O-N 3.42Å; T173-W176 PolarHBondContact O-N 3.18Å; D174-W176 VanDerWaalsContact C-N 3.35Å; W176-L179 PolarHBondContact O-N 2.93Å; W176-T180 HydrophobicContact CD2-CG2 3.82Å; W176-T180 HydrophobicContact CE3-CG2 4.13Å; W176-T180 HydrophobicContact CG-CG2 4.42Å; W176-T180 HydrophobicContact CH2-CG2 4Å; W176-T180 HydrophobicContact CZ2-CG2 3.66Å; W176-T180 HydrophobicContact CZ3-CG2 4.21Å; W176-T180 WeakPolarHBondContact O-CB 3.48Å; W176-T180 WeakPolarHBondContact O-CG2 3.33Å; W176-T180 PolarHBondContact O-N 3.29Å; W176-T180 PolarHBondContact O-OG1 3.19Å; W176-G273 PolarHBondContact NE1-O 2.81Å; W176-L276 HydrophobicContact CD2-CD1 3.98Å; W176-L276 HydrophobicContact CE3-CD1 3.47Å; W176-L276 VanDerWaalsContact CE3-CD1 3.47Å; W176-L276 HydrophobicContact CH2-CD1 3.43Å; W176-L276 VanDerWaalsContact CH2-CD1 3.43Å; W176-L276 HydrophobicContact CH2-CG 4.08Å; W176-L276 HydrophobicContact CZ2-CD1 3.93Å; W176-L276 HydrophobicContact CZ2-CG 4.22Å; W176-L276 HydrophobicContact CZ3-CD1 3.18Å; W176-L276 HydrophobicContact CZ3-CG 4.28Å; W176-N310 HydrophobicContact CZ3-CB 4.19Å; W176-L314 HydrophobicContact CE3-CD1 3.76Å; W176-L314 HydrophobicContact CH2-CD1 4.06Å; W176-L314 HydrophobicContact CZ3-CD1 3.34Å; W176-W402 HydrophobicContact CB-CH2 4.36Å; W176-W402 HydrophobicContact CB-CZ3 3.87Å; W176-W402 HydrophobicContact CG-CZ3 4.26Å; W176-L539 HydrophobicContact CH2-CD1 4.38Å
177	G	95.3	Very high	93.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.4	-55	178.2	0	0	0	0	0	111.7	T173 D174 L179 T180 S181	T173-G177 PolarHBondContact O-N 2.79Å; D174-G177 PolarHBondContact O-N 3.35Å; G177-L179 PolarHBondContact O-N 2.85Å; G177-T180 PolarHBondContact O-N 2.87Å; G177-T180 PolarHBondContact O-OG1 3.08Å; G177-S181 WeakPolarHBondContact O-CB 3.42Å; G177-S181 PolarHBondContact O-N 3.12Å; G177-S181 PolarHBondContact O-OG 2.82Å
178	V	96.2	Very high	93.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.8	-38.9	-177.4	76.6	0	0	0	0	112.7	A157 W160 L161 D174 I175 A182 L188 I266	A157-V178 HydrophobicContact CB-CG2 3.8Å; W160-V178 HydrophobicContact CB-CG2 4.48Å; W160-V178 HydrophobicContact CD2-CG2 4.22Å; W160-V178 HydrophobicContact CE3-CB 3.72Å; W160-V178 HydrophobicContact CE3-CG1 4.35Å; W160-V178 HydrophobicContact CE3-CG2 3.74Å; W160-V178 HydrophobicContact CZ3-CB 3.83Å; W160-V178 HydrophobicContact CZ3-CG1 4.43Å; W160-V178 HydrophobicContact CZ3-CG2 4.36Å; L161-V178 HydrophobicContact CD1-CG1 3.84Å; L161-V178 HydrophobicContact CD2-CG1 3.78Å; L161-V178 HydrophobicContact CG-CG1 3.79Å; D174-V178 PolarHBondContact O-N 2.85Å; I175-V178 WeakPolarHBondContact O-CG1 3.46Å; V178-A182 WeakPolarHBondContact O-CB 3.19Å; V178-A182 PolarHBondContact O-N 2.76Å; V178-L188 HydrophobicContact CG2-CD2 3.79Å; V178-I266 HydrophobicContact CB-CG2 3.88Å; V178-I266 HydrophobicContact CG2-CG2 4.2Å
179	L	92.7	Very high	93.7	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.016	5%	0.05	C	C	.	.	H	α-helix	trans	-75	-32	-177.7	-71.5	-179.9	0	0	0	112.5	I175 W176 G177 G183 L311 L314	I175-L179 HydrophobicContact CG2-CD1 3.93Å; I175-L179 WeakPolarHBondContact O-CB 2.98Å; I175-L179 VanDerWaalsContact O-CG 3.28Å; I175-L179 WeakPolarHBondContact O-CG 3.48Å; I175-L179 PolarHBondContact O-N 2.79Å; W176-L179 PolarHBondContact O-N 2.93Å; G177-L179 PolarHBondContact O-N 2.85Å; L179-G183 VanDerWaalsContact O-CA 3.25Å; L179-G183 WeakPolarHBondContact O-CA 3.34Å; L179-G183 PolarHBondContact O-N 2.89Å; L179-L311 HydrophobicContact CD1-CD2 3.57Å; L179-L314 HydrophobicContact CB-CB 3.89Å; L179-L314 HydrophobicContact CB-CD1 3.88Å; L179-L314 HydrophobicContact CD1-CB 4.39Å
180	T	93.3	Very high	93.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-72.8	-43.6	171.4	53.3	0	0	0	0	111.1	W125 W176 G177 I184 M185 L314	W125-T180 HydrophobicContact CH2-CG2 4.08Å; W125-T180 HydrophobicContact CZ2-CG2 4.05Å; W176-T180 HydrophobicContact CD2-CG2 3.82Å; W176-T180 HydrophobicContact CE3-CG2 4.13Å; W176-T180 HydrophobicContact CG-CG2 4.42Å; W176-T180 HydrophobicContact CH2-CG2 4Å; W176-T180 HydrophobicContact CZ2-CG2 3.66Å; W176-T180 HydrophobicContact CZ3-CG2 4.21Å; W176-T180 WeakPolarHBondContact O-CB 3.48Å; W176-T180 WeakPolarHBondContact O-CG2 3.33Å; W176-T180 PolarHBondContact O-N 3.29Å; W176-T180 PolarHBondContact O-OG1 3.19Å; G177-T180 PolarHBondContact O-N 2.87Å; G177-T180 PolarHBondContact O-OG1 3.08Å; T180-I184 HydrophobicContact CG2-CD1 3.97Å; T180-I184 WeakPolarHBondContact O-CA 3.14Å; T180-I184 VanDerWaalsContact O-CB 3.23Å; T180-I184 WeakPolarHBondContact O-CB 3.18Å; T180-I184 PolarHBondContact O-N 3.06Å; T180-M185 PolarHBondContact O-N 3.47Å; T180-L314 HydrophobicContact CG2-CD1 3.93Å
181	S	95	Very high	94.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	7%	0.069	C	C	.	.	H	α-helix	trans	-60.5	-48.8	175.1	-60.5	0	0	0	0	112	G177 M185 K186 Q187 Q269	G177-S181 WeakPolarHBondContact O-CB 3.42Å; G177-S181 PolarHBondContact O-N 3.12Å; G177-S181 PolarHBondContact O-OG 2.82Å; S181-M185 CarbonylContact O-C 3.5Å; S181-M185 PolarHBondContact O-N 3.39Å; S181-K186 PolarHBondContact O-N 3.39Å; S181-Q187 CarbonylContact C-O 3.16Å; S181-Q187 VanDerWaalsContact CB-O 3.27Å; S181-Q187 WeakPolarHBondContact CB-O 3.27Å; S181-Q187 PolarHBondContact O-N 3.3Å; S181-Q269 PolarHBondContact OG-NE2 3.47Å
182	A	94.3	Very high	94.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-72.4	-47.1	179.9	0	0	0	0	0	113.2	V152 A157 V178 K186 L188 T318	V152-A182 HydrophobicContact CB-CB 3.81Å; V152-A182 HydrophobicContact CG1-CB 4.03Å; A157-A182 HydrophobicContact CB-CB 4.31Å; V178-A182 WeakPolarHBondContact O-CB 3.19Å; V178-A182 PolarHBondContact O-N 2.76Å; A182-K186 VanDerWaalsContact O-CA 3.29Å; A182-K186 WeakPolarHBondContact O-CA 3.43Å; A182-K186 PolarHBondContact O-N 3.5Å; A182-L188 HydrophobicContact CB-CD2 4.06Å; A182-T318 HydrophobicContact CB-CG2 3.9Å
183	G	89.9	Confident	94.5	Very high	6 Å²	6	17.7 Å²	17.7	6%	0.062	8%	0.082	C	C	.	.	H	α-helix	trans	-89	-21	-168.6	0	0	0	0	0	115.1	L179 S317	L179-G183 VanDerWaalsContact O-CA 3.25Å; L179-G183 WeakPolarHBondContact O-CA 3.34Å; L179-G183 PolarHBondContact O-N 2.89Å; G183-S317 WeakPolarHBondContact CA-OG 3.39Å; G183-S317 PolarHBondContact O-OG 2.49Å
184	I	92.3	Very high	94.6	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.036	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-57.5	178.6	-61.9	171.6	0	0	0	110.7	Q92 W125 T180 K186 L314 L539	Q92-I184 HydrophobicContact CB-CG2 3.84Å; Q92-I184 HydrophobicContact CG-CG2 3.55Å; W125-I184 HydrophobicContact CE3-CD1 4.41Å; W125-I184 HydrophobicContact CE3-CG2 4.4Å; W125-I184 HydrophobicContact CH2-CD1 4.12Å; W125-I184 HydrophobicContact CZ3-CD1 3.67Å; W125-I184 HydrophobicContact CZ3-CG2 4.45Å; T180-I184 HydrophobicContact CG2-CD1 3.97Å; T180-I184 WeakPolarHBondContact O-CA 3.14Å; T180-I184 VanDerWaalsContact O-CB 3.23Å; T180-I184 WeakPolarHBondContact O-CB 3.18Å; T180-I184 PolarHBondContact O-N 3.06Å; I184-K186 VanDerWaalsContact C-N 3.28Å; I184-K186 PolarHBondContact O-N 3.22Å; I184-L314 HydrophobicContact CD1-CD2 3.87Å; I184-L314 HydrophobicContact CG1-CD2 3.81Å; I184-L539 HydrophobicContact CD1-CB 4.36Å; I184-L539 HydrophobicContact CD1-CD1 3.93Å; I184-L539 HydrophobicContact CD1-CD2 4.11Å; I184-L539 HydrophobicContact CD1-CG 4.36Å
185	M	94	Very high	94.6	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.025	11%	0.109	C	C	.	.	S	Bend	trans	-82.7	-8.5	-177.1	-59	-49.4	-59.8	0	0	113.1	A95 I99 W125 F129 L147 T180 S181 Q187	A95-M185 HydrophobicContact CB-SD 4.06Å; I99-M185 HydrophobicContact CD1-CE 4.12Å; W125-M185 HydrophobicContact CB-CG 3.78Å; W125-M185 HydrophobicContact CB-SD 3.96Å; F129-M185 HydrophobicContact CB-CE 3.64Å; F129-M185 HydrophobicContact CD1-CE 4.23Å; F129-M185 HydrophobicContact CD2-CB 4.49Å; F129-M185 HydrophobicContact CD2-CE 4.04Å; F129-M185 HydrophobicContact CG-CE 3.72Å; L147-M185 HydrophobicContact CD2-CE 3.86Å; T180-M185 PolarHBondContact O-N 3.47Å; S181-M185 CarbonylContact O-C 3.5Å; S181-M185 PolarHBondContact O-N 3.39Å; M185-Q187 PolarHBondContact O-N 2.6Å
186	K	92.3	Very high	94.5	Very high	61 Å²	61	23 Å²	23	27%	0.265	11%	0.11	S	C	.	.			trans	56.4	34.7	176.5	-56.3	-178.7	-175.9	168.3	0	113.2	L147 G149 S181 A182 I184	L147-K186 PolarHBondContact O-NZ 3.12Å; G149-K186 WeakPolarHBondContact O-CD 3.42Å; G149-K186 PolarHBondContact O-NZ 2.77Å; S181-K186 PolarHBondContact O-N 3.39Å; A182-K186 VanDerWaalsContact O-CA 3.29Å; A182-K186 WeakPolarHBondContact O-CA 3.43Å; A182-K186 PolarHBondContact O-N 3.5Å; I184-K186 VanDerWaalsContact C-N 3.28Å; I184-K186 PolarHBondContact O-N 3.22Å
187	Q	93.2	Very high	94.4	Very high	32 Å²	32	23.9 Å²	23.9	15%	0.15	12%	0.118	C	C	.	.			trans	-152.8	143.1	-176.2	-175.5	-176.9	-32.4	0	0	111.1	F129 N132 S181 M185	F129-Q187 HydrophobicContact CD2-CB 4.4Å; N132-Q187 PolarHBondContact ND2-NE2 3.2Å; S181-Q187 CarbonylContact C-O 3.16Å; S181-Q187 VanDerWaalsContact CB-O 3.27Å; S181-Q187 WeakPolarHBondContact CB-O 3.27Å; S181-Q187 PolarHBondContact O-N 3.3Å; M185-Q187 PolarHBondContact O-N 2.6Å
188	L	94.6	Very high	94.1	Very high	38 Å²	38	28.7 Å²	28.7	20%	0.199	15%	0.152	C	C	.	.			trans	-111.4	103.1	169.4	-67.4	-177	0	0	0	109.5	V152 H156 V178 A182 K190 I266	V152-L188 HydrophobicContact CG1-CD1 3.76Å; V152-L188 HydrophobicContact CG1-CG 3.91Å; V152-L188 HydrophobicContact CG2-CG 4.21Å; H156-L188 HydrophobicContact CB-CD1 4.09Å; V178-L188 HydrophobicContact CG2-CD2 3.79Å; A182-L188 HydrophobicContact CB-CD2 4.06Å; L188-K190 PolarHBondContact O-N 3.37Å; L188-I266 HydrophobicContact CB-CD1 3.91Å; L188-I266 HydrophobicContact CD2-CD1 4.02Å; L188-I266 HydrophobicContact CD2-CG1 4.29Å; L188-I266 HydrophobicContact CG-CD1 4.48Å
189	D	94.5	Very high	93.8	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	16%	0.159	C	C	.	.			trans	-91.3	96.5	176.9	-171.2	-0.6	0	0	0	110.8	N132 R191 M265 I266	N132-D189 PolarHBondContact OD1-OD1 3Å; D189-R191 VanDerWaalsContact C-N 3.26Å; D189-R191 PolarHBondContact O-N 3.26Å; D189-R191 VanDerWaalsContact OD1-CB 3.28Å; D189-R191 WeakPolarHBondContact OD1-CB 3.3Å; D189-R191 VanDerWaalsContact OD1-CG 3.26Å; D189-R191 WeakPolarHBondContact OD1-CG 3.47Å; D189-R191 IonicContact OD1-CZ 3.74Å; D189-R191 PolarHBondContact OD1-N 2.93Å; D189-R191 VanDerWaalsContact OD1-N 3.1Å; D189-R191 IonicContact OD1-NE 2.93Å; D189-R191 PolarHBondContact OD1-NE 3.34Å; D189-R191 IonicContact OD1-NH2 3.57Å; D189-R191 IonicContact OD2-CZ 2.58Å; D189-R191 VanDerWaalsContact OD2-CZ 3.32Å; D189-R191 IonicContact OD2-NE 3.53Å; D189-R191 PolarHBondContact OD2-NE 3.32Å; D189-R191 IonicContact OD2-NH2 2.67Å; D189-R191 PolarHBondContact OD2-NH2 2.98Å; D189-M265 HydrophobicContact CB-CB 3.96Å; D189-M265 WeakPolarHBondContact O-CB 3.45Å; D189-I266 WeakPolarHBondContact O-CG1 3.35Å; D189-I266 PolarHBondContact O-N 3.15Å
190	K	95.6	Very high	93.7	Very high	109 Å²	109	36 Å²	36	47%	0.474	19%	0.188	S	C	.	.			trans	-84.9	5.7	179.9	-60.1	-170.5	-179.5	-163.7	0	113.7	L188 I266	L188-K190 PolarHBondContact O-N 3.37Å; K190-I266 HydrophobicContact CG-CD1 3.94Å
191	R	96.1	Very high	93.7	Very high	33 Å²	33	36.5 Å²	36.5	13%	0.125	19%	0.192	C	C	.	.			trans	-73.9	161	179.2	-59.9	175	-53.8	100.4	-0.7	110.2	Y131 N132 D189 E196 R199 D264 M265	Y131-R191 VanDerWaalsContact C-NH2 3.27Å; Y131-R191 PolarHBondContact O-NH2 3.33Å; Y131-R191 VanDerWaalsContact O-NH2 3.14Å; N132-R191 VanDerWaalsContact CA-NH2 3.29Å; N132-R191 PolarHBondContact OD1-NE 3.44Å; D189-R191 VanDerWaalsContact C-N 3.26Å; D189-R191 PolarHBondContact O-N 3.26Å; D189-R191 VanDerWaalsContact OD1-CB 3.28Å; D189-R191 WeakPolarHBondContact OD1-CB 3.3Å; D189-R191 VanDerWaalsContact OD1-CG 3.26Å; D189-R191 WeakPolarHBondContact OD1-CG 3.47Å; D189-R191 IonicContact OD1-CZ 3.74Å; D189-R191 PolarHBondContact OD1-N 2.93Å; D189-R191 VanDerWaalsContact OD1-N 3.1Å; D189-R191 IonicContact OD1-NE 2.93Å; D189-R191 PolarHBondContact OD1-NE 3.34Å; D189-R191 IonicContact OD1-NH2 3.57Å; D189-R191 IonicContact OD2-CZ 2.58Å; D189-R191 VanDerWaalsContact OD2-CZ 3.32Å; D189-R191 IonicContact OD2-NE 3.53Å; D189-R191 PolarHBondContact OD2-NE 3.32Å; D189-R191 IonicContact OD2-NH2 2.67Å; D189-R191 PolarHBondContact OD2-NH2 2.98Å; R191-E196 IonicContact CZ-OE1 3.53Å; R191-E196 IonicContact NH1-OE1 3.7Å; R191-E196 PolarHBondContact NH1-OE1 2.84Å; R191-E196 IonicContact NH2-OE1 2.68Å; R191-R199 VanDerWaalsContact NH1-NH2 3.12Å; R191-D264 CarbonylContact O-C 3.36Å; R191-D264 WeakPolarHBondContact O-CA 3.39Å; R191-M265 WeakPolarHBondContact O-CG 3.36Å; R191-M265 PolarHBondContact O-N 3.36Å
192	H	97.4	Very high	93.6	Very high	64 Å²	64	38.5 Å²	38.5	30%	0.296	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-92.4	147.9	170.4	-52.8	109.5	0	0	0	110.8	S194 E195 E262	H192-S194 VanDerWaalsContact C-N 3.25Å; H192-S194 PolarHBondContact O-N 2.87Å; H192-E195 HydrophobicContact CB-CG 4.16Å; H192-E195 IonicContact CE1-OE1 2.89Å; H192-E195 IonicContact CG-OE1 2.83Å; H192-E195 PolarHBondContact N-OE1 3.45Å; H192-E195 IonicContact ND1-OE1 3.92Å; H192-E195 PolarHBondContact ND1-OE1 2.94Å; H192-E195 WeakPolarHBondContact O-CB 3.27Å; H192-E195 PolarHBondContact O-N 3.49Å; H192-E262 VanDerWaalsContact CB-CD 3.48Å; H192-E262 HydrophobicContact CB-CG 4.2Å; H192-E262 WeakPolarHBondContact CB-OE1 3.48Å
193	L	97.8	Very high	93.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-66.2	-33.3	179.4	178.3	55.8	0	0	0	111.1	E195 E196 Y208 V228 P230 T244 E262 M265 L268	L193-E195 PolarHBondContact O-N 3.37Å; L193-E195 VanDerWaalsContact O-N 3.16Å; L193-E196 HydrophobicContact CD1-CG 4.05Å; L193-E196 VanDerWaalsContact O-CB 3.32Å; L193-E196 WeakPolarHBondContact O-CB 3.42Å; L193-E196 WeakPolarHBondContact O-CG 3.44Å; L193-E196 PolarHBondContact O-N 2.82Å; L193-Y208 HydrophobicContact CD1-CD2 4.19Å; L193-Y208 HydrophobicContact CD1-CE2 3.6Å; L193-Y208 HydrophobicContact CD2-CD2 3.72Å; L193-Y208 HydrophobicContact CD2-CE2 3.99Å; L193-Y208 HydrophobicContact CG-CE2 4.49Å; L193-V228 HydrophobicContact CD2-CB 4.3Å; L193-V228 HydrophobicContact CD2-CG1 3.63Å; L193-P230 HydrophobicContact CD1-CG 4.17Å; L193-T244 HydrophobicContact CB-CG2 4.15Å; L193-T244 HydrophobicContact CD2-CG2 4.24Å; L193-T244 HydrophobicContact CG-CG2 4.31Å; L193-E262 PolarHBondContact N-OE1 3.23Å; L193-E262 VanDerWaalsContact N-OE1 3.1Å; L193-M265 HydrophobicContact CB-SD 3.85Å; L193-M265 HydrophobicContact CD1-SD 4.32Å; L193-L268 HydrophobicContact CB-CD2 4.21Å; L193-L268 HydrophobicContact CD2-CD2 3.79Å
194	S	97.3	Very high	94.2	Very high	34 Å²	34	38.3 Å²	38.3	24%	0.238	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-60.9	-22.9	177.2	71.1	0	0	0	0	114.1	H192 E196 A197 P230 E262	H192-S194 VanDerWaalsContact C-N 3.25Å; H192-S194 PolarHBondContact O-N 2.87Å; S194-E196 PolarHBondContact O-N 2.88Å; S194-A197 WeakPolarHBondContact O-CB 3.47Å; S194-A197 PolarHBondContact O-N 3.31Å; S194-A197 VanDerWaalsContact O-N 3.1Å; S194-P230 WeakPolarHBondContact CA-O 3.3Å; S194-E262 VanDerWaalsContact CB-OE2 3.23Å; S194-E262 WeakPolarHBondContact CB-OE2 3.24Å; S194-E262 PolarHBondContact N-OE1 3.14Å; S194-E262 PolarHBondContact OG-OE1 2.85Å; S194-E262 PolarHBondContact OG-OE2 2.85Å
195	E	95.6	Very high	94.5	Very high	75 Å²	75	38 Å²	38	35%	0.35	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-63.9	-26.5	175.9	-66.6	171	-152.9	0	0	112.2	H192 L193 A197 S198	H192-E195 HydrophobicContact CB-CG 4.16Å; H192-E195 IonicContact CE1-OE1 2.89Å; H192-E195 IonicContact CG-OE1 2.83Å; H192-E195 PolarHBondContact N-OE1 3.45Å; H192-E195 IonicContact ND1-OE1 3.92Å; H192-E195 PolarHBondContact ND1-OE1 2.94Å; H192-E195 WeakPolarHBondContact O-CB 3.27Å; H192-E195 PolarHBondContact O-N 3.49Å; L193-E195 PolarHBondContact O-N 3.37Å; L193-E195 VanDerWaalsContact O-N 3.16Å; E195-A197 PolarHBondContact O-N 3.25Å; E195-S198 PolarHBondContact O-N 3.27Å; E195-S198 PolarHBondContact O-OG 3.08Å
196	E	93.8	Very high	94.7	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.028	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64	-26.7	175.5	-63	-59.9	140.8	0	0	112.7	R191 L193 S194 S198 R199 P230	R191-E196 IonicContact CZ-OE1 3.53Å; R191-E196 IonicContact NH1-OE1 3.7Å; R191-E196 PolarHBondContact NH1-OE1 2.84Å; R191-E196 IonicContact NH2-OE1 2.68Å; L193-E196 HydrophobicContact CD1-CG 4.05Å; L193-E196 VanDerWaalsContact O-CB 3.32Å; L193-E196 WeakPolarHBondContact O-CB 3.42Å; L193-E196 WeakPolarHBondContact O-CG 3.44Å; L193-E196 PolarHBondContact O-N 2.82Å; S194-E196 PolarHBondContact O-N 2.88Å; E196-S198 PolarHBondContact O-N 3.45Å; E196-R199 WeakPolarHBondContact O-CB 3.47Å; E196-R199 PolarHBondContact O-N 2.83Å; E196-R199 VanDerWaalsContact O-N 3.1Å; E196-R199 IonicContact OE1-CZ 3.21Å; E196-R199 IonicContact OE1-NE 3.04Å; E196-R199 IonicContact OE1-NH1 2.81Å; E196-R199 PolarHBondContact OE1-NH1 3.27Å; E196-R199 IonicContact OE1-NH2 3.32Å; E196-R199 PolarHBondContact OE1-NH2 3.15Å; E196-R199 WeakPolarHBondContact OE2-CD 3.49Å; E196-R199 IonicContact OE2-CZ 2.97Å; E196-R199 IonicContact OE2-NE 2.8Å; E196-R199 IonicContact OE2-NH1 3.61Å; E196-R199 PolarHBondContact OE2-NH1 3.35Å; E196-P230 HydrophobicContact CB-CB 3.81Å; E196-P230 HydrophobicContact CB-CG 3.64Å; E196-P230 HydrophobicContact CG-CG 4.48Å
197	A	92.3	Very high	95	Very high	23 Å²	23	34.9 Å²	34.9	19%	0.19	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-60.1	-32.6	-179.2	0	0	0	0	0	112.1	S194 E195 P230 H231	S194-A197 WeakPolarHBondContact O-CB 3.47Å; S194-A197 PolarHBondContact O-N 3.31Å; S194-A197 VanDerWaalsContact O-N 3.1Å; E195-A197 PolarHBondContact O-N 3.25Å; A197-P230 HydrophobicContact CB-CB 4.11Å; A197-H231 WeakPolarHBondContact CB-NE2 3.42Å
198	S	89.1	Confident	95.2	Very high	102 Å²	102	33.5 Å²	33.5	71%	0.713	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-83.5	-11.6	-178.6	72.1	0	0	0	0	114.1	E195 E196	E195-S198 PolarHBondContact O-N 3.27Å; E195-S198 PolarHBondContact O-OG 3.08Å; E196-S198 PolarHBondContact O-N 3.45Å
199	R	89.5	Confident	95.4	Very high	41 Å²	41	31.7 Å²	31.7	16%	0.155	17%	0.17	C	C	.	.	S	Bend	trans	-78.6	163.9	-175	-67	-176.8	-180	-173.1	-6	112	Y131 R191 E196	Y131-R199 PolarHBondContact O-NH1 3.48Å; R191-R199 VanDerWaalsContact NH1-NH2 3.12Å; E196-R199 WeakPolarHBondContact O-CB 3.47Å; E196-R199 PolarHBondContact O-N 2.83Å; E196-R199 VanDerWaalsContact O-N 3.1Å; E196-R199 IonicContact OE1-CZ 3.21Å; E196-R199 IonicContact OE1-NE 3.04Å; E196-R199 IonicContact OE1-NH1 2.81Å; E196-R199 PolarHBondContact OE1-NH1 3.27Å; E196-R199 IonicContact OE1-NH2 3.32Å; E196-R199 PolarHBondContact OE1-NH2 3.15Å; E196-R199 WeakPolarHBondContact OE2-CD 3.49Å; E196-R199 IonicContact OE2-CZ 2.97Å; E196-R199 IonicContact OE2-NE 2.8Å; E196-R199 IonicContact OE2-NH1 3.61Å; E196-R199 PolarHBondContact OE2-NH1 3.35Å
200	N	89.1	Confident	95.5	Very high	116 Å²	116	31.6 Å²	31.6	62%	0.62	17%	0.17	S	C	*	.			trans	-62.6	147.4	172.5	-68.5	-25	0	0	0	110.2	T202	N200-T202 HydrophobicContact CB-CG2 4.03Å; N200-T202 PolarHBondContact O-N 3.14Å
201	A	93.4	Very high	95.3	Very high	9 Å²	9	26.7 Å²	26.7	7%	0.074	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	32.7	177.2	0	0	0	0	0	113.1	Y56 R59 R60 I63 N203	Y56-A201 HydrophobicContact CD1-CB 4.15Å; Y56-A201 HydrophobicContact CD2-CB 4.42Å; Y56-A201 HydrophobicContact CE1-CB 3.93Å; Y56-A201 HydrophobicContact CE2-CB 4.21Å; Y56-A201 HydrophobicContact CG-CB 4.4Å; R59-A201 HydrophobicContact CB-CB 3.87Å; R60-A201 HydrophobicContact CB-CB 4.14Å; R60-A201 WeakPolarHBondContact CD-O 3.23Å; R60-A201 PolarHBondContact NH1-O 3.16Å; I63-A201 WeakPolarHBondContact CD1-O 3.48Å; A201-N203 VanDerWaalsContact C-N 3.33Å
202	T	93.7	Very high	95.1	Very high	44 Å²	44	25.4 Å²	25.4	27%	0.27	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.9	-178.9	45.1	0	0	0	0	113.4	R60 P134 S137 N200	R60-T202 PolarHBondContact NH1-O 3.37Å; P134-T202 PolarHBondContact O-OG1 2.84Å; S137-T202 PolarHBondContact OG-O 3.17Å; N200-T202 HydrophobicContact CB-CG2 4.03Å; N200-T202 PolarHBondContact O-N 3.14Å
203	N	97.8	Very high	94.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	14%	0.138	C	C	.	.	S	Bend	trans	-103.6	157.6	174	-56.8	-45.4	0	0	0	109.5	Y56 Y131 P134 W136 S137 A201	Y56-N203 PolarHBondContact OH-O 3.09Å; Y131-N203 HydrophobicContact CE1-CB 3.93Å; P134-N203 PolarHBondContact O-ND2 3.08Å; W136-N203 VanDerWaalsContact CD1-CG 3.45Å; W136-N203 HydrophobicContact CZ2-CB 4.4Å; W136-N203 VanDerWaalsContact NE1-CG 3.28Å; S137-N203 VanDerWaalsContact CB-OD1 3.24Å; S137-N203 WeakPolarHBondContact CB-OD1 3.35Å; S137-N203 PolarHBondContact N-OD1 2.94Å; S137-N203 PolarHBondContact OG-OD1 3.12Å; A201-N203 VanDerWaalsContact C-N 3.33Å
204	P	98.4	Very high	93.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-54.8	152.8	165	-23.1	34.9	0	0	0	110.6	L114 I117 Y131 P206	L114-P204 HydrophobicContact CB-CB 4.12Å; L114-P204 HydrophobicContact CB-CG 3.84Å; L114-P204 HydrophobicContact CD1-CG 4.43Å; I117-P204 HydrophobicContact CB-CB 4.32Å; I117-P204 HydrophobicContact CG2-CB 4.13Å; Y131-P204 PolarHBondContact OH-O 3.49Å; P204-P206 WeakPolarHBondContact O-CD 3.13Å
205	Y	98.6	Very high	92.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122.1	177.4	-172.2	-100.5	0	0	0	110.6	E53 Y56 I57 L115 Y116 I117 I207 S229 P230 H231	E53-Y205 HydrophobicContact CB-CE1 4.44Å; E53-Y205 HydrophobicContact CG-CD1 4.22Å; E53-Y205 HydrophobicContact CG-CE1 3.65Å; E53-Y205 HydrophobicContact CG-CE2 4.28Å; E53-Y205 VanDerWaalsContact OE2-CE1 3.28Å; E53-Y205 WeakPolarHBondContact OE2-CE1 3.22Å; E53-Y205 PolarHBondContact OE2-OH 3.41Å; Y56-Y205 AromaticContact CD1-CD2 3.5Å; Y56-Y205 HydrophobicContact CD1-CD2 3.5Å; Y56-Y205 VanDerWaalsContact CD1-CD2 3.5Å; Y56-Y205 HydrophobicContact CD1-CE2 4.41Å; Y56-Y205 HydrophobicContact CD1-CG 4.18Å; Y56-Y205 HydrophobicContact CD2-CD2 4.18Å; Y56-Y205 AromaticContact CE1-CD2 3.82Å; Y56-Y205 HydrophobicContact CE1-CD2 3.82Å; Y56-Y205 HydrophobicContact CE1-CG 4.37Å; Y56-Y205 HydrophobicContact CE2-CD2 4.46Å; Y56-Y205 AromaticContact CG-CD2 3.69Å; Y56-Y205 HydrophobicContact CG-CD2 3.69Å; Y56-Y205 HydrophobicContact CG-CE2 4.18Å; I57-Y205 HydrophobicContact CD1-CG 4.43Å; L115-Y205 PolarHBondContact O-N 2.86Å; Y116-Y205 WeakPolarHBondContact CA-O 3.28Å; Y116-Y205 AromaticContact CD1-CD1 3.74Å; Y116-Y205 HydrophobicContact CD1-CD1 3.74Å; Y116-Y205 HydrophobicContact CD1-CG 4.2Å; Y116-Y205 AromaticContact CE1-CD1 3.71Å; Y116-Y205 HydrophobicContact CE1-CD1 3.71Å; Y116-Y205 HydrophobicContact CE1-CG 4.21Å; I117-Y205 PolarHBondContact N-O 3.22Å; Y205-I207 HydrophobicContact CD1-CD1 4.48Å; Y205-I207 HydrophobicContact CD1-CG1 4.03Å; Y205-I207 HydrophobicContact CE1-CG1 4.2Å; Y205-S229 VanDerWaalsContact OH-CB 3.31Å; Y205-S229 WeakPolarHBondContact OH-CB 3.48Å; Y205-S229 PolarHBondContact OH-OG 2.98Å; Y205-S229 VanDerWaalsContact OH-OG 3.08Å; Y205-P230 HydrophobicContact CE2-CB 4.31Å; Y205-P230 HydrophobicContact CE2-CG 3.98Å; Y205-H231 AromaticContact CE2-CE1 3.7Å; Y205-H231 AromaticContact CE2-ND1 3.41Å; Y205-H231 WeakPolarHBondContact CE2-ND1 3.42Å; Y205-H231 AromaticContact CZ-ND1 3.57Å; Y205-H231 PolarHBondContact OH-ND1 3.16Å
206	P	98.4	Very high	91.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	136.7	-176	31.9	-31.9	0	0	0	112.3	I117 M127 Y131 P204 Y208 P230	I117-P206 HydrophobicContact CG2-CB 4.38Å; I117-P206 CarbonylContact O-C 3.46Å; I117-P206 WeakPolarHBondContact O-CA 3.04Å; M127-P206 HydrophobicContact CE-CB 3.98Å; Y131-P206 HydrophobicContact CD1-CB 4.38Å; Y131-P206 HydrophobicContact CD1-CG 3.98Å; Y131-P206 HydrophobicContact CE1-CB 3.83Å; Y131-P206 HydrophobicContact CE1-CG 3.53Å; Y131-P206 HydrophobicContact CE2-CB 4.06Å; P204-P206 WeakPolarHBondContact O-CD 3.13Å; P206-Y208 HydrophobicContact CB-CE2 3.86Å; P206-Y208 HydrophobicContact CG-CE2 4.43Å; P206-P230 HydrophobicContact CG-CG 3.77Å; P206-P230 WeakPolarHBondContact O-CD 3.47Å
207	I	98.6	Very high	89.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.3	172.2	-57.5	172.6	0	0	0	109.3	Y116 I117 G118 G119 M127 Y205 E227 F443 R448	Y116-I207 HydrophobicContact CD1-CD1 3.88Å; Y116-I207 HydrophobicContact CE1-CD1 4.36Å; I117-I207 PolarHBondContact O-N 3.34Å; G118-I207 VanDerWaalsContact CA-O 3.24Å; G118-I207 WeakPolarHBondContact CA-O 3.3Å; G119-I207 PolarHBondContact N-O 2.89Å; M127-I207 WeakPolarHBondContact CE-O 3.36Å; Y205-I207 HydrophobicContact CD1-CD1 4.48Å; Y205-I207 HydrophobicContact CD1-CG1 4.03Å; Y205-I207 HydrophobicContact CE1-CG1 4.2Å; I207-E227 HydrophobicContact CG2-CB 4.05Å; I207-F443 HydrophobicContact CD1-CE1 3.68Å; I207-F443 HydrophobicContact CD1-CZ 4.12Å; I207-R448 VanDerWaalsContact CD1-NE 3.34Å
208	Y	98.6	Very high	88	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	140.6	176.4	-59.5	-92.3	0	0	0	109.2	T124 M127 L193 P206 E227 V228 M265 L272	T124-Y208 HydrophobicContact CG2-CD1 3.89Å; M127-Y208 HydrophobicContact CB-CE1 3.59Å; M127-Y208 HydrophobicContact CE-CD1 3.93Å; M127-Y208 HydrophobicContact CE-CD2 4.34Å; M127-Y208 HydrophobicContact CE-CE1 3.75Å; M127-Y208 HydrophobicContact CE-CE2 4.14Å; M127-Y208 HydrophobicContact CE-CG 4.25Å; M127-Y208 HydrophobicContact SD-CE1 4.32Å; L193-Y208 HydrophobicContact CD1-CD2 4.19Å; L193-Y208 HydrophobicContact CD1-CE2 3.6Å; L193-Y208 HydrophobicContact CD2-CD2 3.72Å; L193-Y208 HydrophobicContact CD2-CE2 3.99Å; L193-Y208 HydrophobicContact CG-CE2 4.49Å; P206-Y208 HydrophobicContact CB-CE2 3.86Å; P206-Y208 HydrophobicContact CG-CE2 4.43Å; Y208-E227 CarbonylContact O-C 3.53Å; Y208-E227 WeakPolarHBondContact O-CA 3.4Å; Y208-V228 PolarHBondContact N-O 3.23Å; Y208-V228 PolarHBondContact O-N 2.92Å; Y208-M265 HydrophobicContact CE1-CE 4Å; Y208-M265 HydrophobicContact CE2-CE 4.39Å; Y208-L272 HydrophobicContact CD1-CD1 3.62Å; Y208-L272 HydrophobicContact CG-CD1 3.89Å
209	C	97.6	Very high	86.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.3	-176.4	-40	0	0	0	0	112.7	G119 V120 W225 F226 L272 A432	G119-C209 PolarHBondContact O-N 2.64Å; V120-C209 HydrophobicContact CG1-CB 3.99Å; C209-W225 VanDerWaalsContact CB-CE2 3.49Å; C209-W225 HydrophobicContact CB-CH2 4.12Å; C209-W225 HydrophobicContact CB-CZ2 3.23Å; C209-W225 VanDerWaalsContact SG-CZ2 3.54Å; C209-F226 CarbonylContact C-O 3.57Å; C209-F226 WeakPolarHBondContact CA-O 3.42Å; C209-L272 WeakPolarHBondContact O-CD2 3.43Å; C209-A432 HydrophobicContact CB-CB 3.92Å; C209-A432 WeakPolarHBondContact O-CB 3.42Å
210	A	95.9	Very high	84.6	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	175.6	173.2	0	0	0	0	0	110	F226 L272 L429 I430	A210-F226 HydrophobicContact CB-CB 4.29Å; A210-F226 PolarHBondContact N-O 2.9Å; A210-F226 PolarHBondContact O-N 3Å; A210-F226 VanDerWaalsContact O-O 3.12Å; A210-L272 HydrophobicContact CB-CD2 4.16Å; A210-L429 HydrophobicContact CB-CB 4.22Å; A210-I430 CarbonylContact C-O 3.53Å; A210-I430 VanDerWaalsContact CA-O 3.3Å; A210-I430 WeakPolarHBondContact CA-O 3.3Å; A210-I430 WeakPolarHBondContact CB-O 3.02Å
211	L	92.1	Very high	83.3	Confident	7 Å²	7	30.9 Å²	30.9	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.1	171.7	-73.8	157.3	0	0	0	109.9	K224 W225 L429 I430 D431 A432 L434 L435	L211-K224 WeakPolarHBondContact CA-O 3.45Å; L211-W225 HydrophobicContact CD2-CE3 4Å; L211-W225 HydrophobicContact CD2-CZ3 4.5Å; L211-L429 CarbonylContact O-C 3.54Å; L211-L429 VanDerWaalsContact O-CA 3.32Å; L211-L429 WeakPolarHBondContact O-CA 3.43Å; L211-I430 HydrophobicContact CB-CG1 4.02Å; L211-I430 PolarHBondContact N-O 3.03Å; L211-I430 PolarHBondContact O-N 2.57Å; L211-D431 WeakPolarHBondContact CD1-O 3.4Å; L211-A432 VanDerWaalsContact CD1-CA 3.47Å; L211-A432 HydrophobicContact CD1-CB 4.48Å; L211-A432 WeakPolarHBondContact CD1-O 3.47Å; L211-A432 HydrophobicContact CG-CB 4.27Å; L211-L434 HydrophobicContact CD1-CB 4.24Å; L211-L435 HydrophobicContact CD1-CB 3.37Å; L211-L435 HydrophobicContact CD2-CB 3.64Å; L211-L435 HydrophobicContact CD2-CD2 3.49Å; L211-L435 VanDerWaalsContact CD2-CD2 3.49Å; L211-L435 HydrophobicContact CD2-CG 4.19Å; L211-L435 HydrophobicContact CG-CB 4.14Å
212	E	91.4	Very high	82	Confident	5 Å²	5	37.4 Å²	37.4	2%	0.023	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.2	162.6	-161.7	-67.6	138	0	0	109.9	Y214 C215 F216 K224 F235 F427 H428	E212-Y214 PolarHBondContact OE1-N 2.94Å; E212-Y214 PolarHBondContact OE2-N 3.43Å; E212-Y214 VanDerWaalsContact OE2-N 3.11Å; E212-C215 WeakPolarHBondContact OE2-CA 3.09Å; E212-C215 WeakPolarHBondContact OE2-CB 2.99Å; E212-C215 PolarHBondContact OE2-N 3.06Å; E212-F216 HydrophobicContact CB-CD2 4.35Å; E212-F216 HydrophobicContact CB-CE2 4.37Å; E212-F216 WeakPolarHBondContact OE2-CD2 3.36Å; E212-K224 PolarHBondContact N-O 2.87Å; E212-K224 VanDerWaalsContact N-O 3.09Å; E212-F235 HydrophobicContact CB-CE1 3.78Å; E212-F235 HydrophobicContact CB-CZ 4.23Å; E212-F235 HydrophobicContact CG-CE1 4.29Å; E212-F235 HydrophobicContact CG-CZ 4.26Å; E212-F427 HydrophobicContact CG-CB 3.98Å; E212-F427 HydrophobicContact CG-CD2 4.27Å; E212-F427 HydrophobicContact CG-CG 4.41Å; E212-H428 WeakPolarHBondContact CA-O 3.35Å
213	K	82.4	Confident	81.1	Confident	38 Å²	38	35.5 Å²	35.5	17%	0.165	19%	0.189	C	C	.	.			trans	-77.2	-47.8	-169.8	-175.4	175.2	179.1	-174.2	0	114.8	H428 I430	K213-H428 HydrophobicContact CB-CB 4.24Å; K213-H428 PolarHBondContact N-O 3.26Å; K213-I430 HydrophobicContact CB-CD1 3.79Å; K213-I430 HydrophobicContact CB-CG1 4.18Å; K213-I430 HydrophobicContact CB-CG2 4.22Å; K213-I430 HydrophobicContact CD-CD1 4.05Å; K213-I430 HydrophobicContact CD-CG2 4.12Å; K213-I430 HydrophobicContact CG-CD1 3.79Å
214	Y	80.5	Confident	80.5	Confident	97 Å²	97	37.6 Å²	37.6	38%	0.38	20%	0.198	S	C	.	.	S	Bend	trans	-101.8	-37	-158.3	-67.7	-57.1	0	0	0	114.4	E212 F216 S217 H428	E212-Y214 PolarHBondContact OE1-N 2.94Å; E212-Y214 PolarHBondContact OE2-N 3.43Å; E212-Y214 VanDerWaalsContact OE2-N 3.11Å; Y214-F216 PolarHBondContact O-N 3.31Å; Y214-S217 PolarHBondContact O-OG 3.35Å; Y214-H428 HydrophobicContact CD2-CB 3.88Å; Y214-H428 AromaticContact CD2-CE1 3.94Å; Y214-H428 AromaticContact CD2-CG 3.6Å; Y214-H428 AromaticContact CD2-ND1 3.39Å; Y214-H428 WeakPolarHBondContact CD2-ND1 3.13Å; Y214-H428 HydrophobicContact CE2-CB 3.84Å; Y214-H428 AromaticContact CE2-CD2 3.61Å; Y214-H428 AromaticContact CE2-CE1 3.81Å; Y214-H428 AromaticContact CE2-CG 3.4Å; Y214-H428 VanDerWaalsContact CE2-CG 3.4Å; Y214-H428 AromaticContact CE2-ND1 3.55Å; Y214-H428 AromaticContact CE2-NE2 3.8Å
215	C	71.8	Confident	80.2	Confident	22 Å²	22	37.6 Å²	37.6	15%	0.149	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.1	-171.5	-169.7	0	0	0	0	112.6	E212 C420 L421	E212-C215 WeakPolarHBondContact OE2-CA 3.09Å; E212-C215 WeakPolarHBondContact OE2-CB 2.99Å; E212-C215 PolarHBondContact OE2-N 3.06Å; C215-C420 WeakPolarHBondContact CA-SG 3.47Å; C215-C420 HydrophobicContact CB-CB 3.84Å; C215-C420 WeakPolarHBondContact CB-SG 3.5Å; C215-C420 PolarHBondContact O-SG 3.31Å; C215-C420 WeakPolarHBondContact SG-CB 3.44Å; C215-C420 CovalentContact SG-SG 2Å; C215-C420 PolarHBondContact SG-SG 3.14Å; C215-L421 HydrophobicContact CB-CD2 4.25Å; C215-L421 HydrophobicContact CB-CG 4.46Å; C215-L421 VanDerWaalsContact SG-CG 3.57Å; C215-L421 PolarHBondContact SG-N 2.89Å
216	F	69.8	Low	80.1	Confident	22 Å²	22	37.6 Å²	37.6	10%	0.096	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	11	-173.1	-55.9	-78.3	0	0	0	115.1	E212 Y214 H218 G219 Q222 G223 K224 F235 L238 P418 L421	E212-F216 HydrophobicContact CB-CD2 4.35Å; E212-F216 HydrophobicContact CB-CE2 4.37Å; E212-F216 WeakPolarHBondContact OE2-CD2 3.36Å; Y214-F216 PolarHBondContact O-N 3.31Å; F216-H218 PolarHBondContact O-N 2.85Å; F216-G219 PolarHBondContact O-N 3.4Å; F216-G219 VanDerWaalsContact O-N 3.11Å; F216-Q222 CarbonylContact O-C 3.53Å; F216-Q222 VanDerWaalsContact O-CA 3.31Å; F216-Q222 WeakPolarHBondContact O-CA 3.46Å; F216-G223 PolarHBondContact O-N 3.27Å; F216-K224 HydrophobicContact CB-CG 4.36Å; F216-K224 HydrophobicContact CD1-CD 4.25Å; F216-K224 HydrophobicContact CD1-CG 3.4Å; F216-K224 VanDerWaalsContact CD1-CG 3.4Å; F216-K224 HydrophobicContact CD2-CB 3.63Å; F216-K224 HydrophobicContact CD2-CG 3.39Å; F216-K224 HydrophobicContact CE1-CB 4.42Å; F216-K224 HydrophobicContact CE1-CD 4.13Å; F216-K224 HydrophobicContact CE1-CG 3.29Å; F216-K224 HydrophobicContact CE2-CB 3.57Å; F216-K224 HydrophobicContact CE2-CG 3.32Å; F216-K224 HydrophobicContact CG-CB 4.11Å; F216-K224 HydrophobicContact CG-CG 3.43Å; F216-K224 VanDerWaalsContact CG-CG 3.43Å; F216-K224 HydrophobicContact CZ-CB 3.99Å; F216-K224 HydrophobicContact CZ-CD 4.41Å; F216-K224 HydrophobicContact CZ-CG 3.26Å; F216-F235 HydrophobicContact CE2-CE1 4.35Å; F216-L238 HydrophobicContact CZ-CD1 4.48Å; F216-P418 HydrophobicContact CE1-CB 4.22Å; F216-P418 HydrophobicContact CE1-CG 3.38Å; F216-P418 HydrophobicContact CZ-CB 4.47Å; F216-P418 HydrophobicContact CZ-CG 3.58Å; F216-L421 HydrophobicContact CE2-CD1 4.19Å; F216-L421 HydrophobicContact CZ-CD1 3.94Å; F216-L421 HydrophobicContact CZ-CG 4.45Å
217	S	63.2	Low	80	Confident	52 Å²	52	37.6 Å²	37.6	36%	0.364	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-17.7	-176.4	48.1	0	0	0	0	115.6	Y214	Y214-S217 PolarHBondContact O-OG 3.35Å
218	H	57.5	Low	80	Confident	181 Å²	181	37.7 Å²	37.7	84%	0.838	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	3.5	-177.1	-59.9	77.1	0	0	0	113.8	F216	F216-H218 PolarHBondContact O-N 2.85Å
219	G	57.4	Low	80	Confident	30 Å²	30	37.6 Å²	37.6	31%	0.309	20%	0.198	S	C	.	.	S	Bend	trans	-85.8	168.2	178.2	0	0	0	0	0	113.5	F216 L221 Q222	F216-G219 PolarHBondContact O-N 3.4Å; F216-G219 VanDerWaalsContact O-N 3.11Å; G219-L221 PolarHBondContact O-N 2.78Å; G219-L221 VanDerWaalsContact O-N 3.13Å; G219-Q222 WeakPolarHBondContact O-CG 3.48Å; G219-Q222 PolarHBondContact O-N 2.87Å
220	P	51.2	Low	80	Confident	104 Å²	104	37.8 Å²	37.8	68%	0.675	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.6	-179.3	22.7	-32.2	0	0	0	113.9	E476	P220-E476 HydrophobicContact CG-CG 4.25Å; P220-E476 VanDerWaalsContact CG-OE1 3.22Å; P220-E476 WeakPolarHBondContact CG-OE1 3.02Å
221	L	60.3	Low	80.1	Confident	31 Å²	31	39.5 Å²	39.5	16%	0.162	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	3.3	177.2	-62.2	169.3	0	0	0	113.7	G219 G223 L435 Y473 E476 V477	G219-L221 PolarHBondContact O-N 2.78Å; G219-L221 VanDerWaalsContact O-N 3.13Å; L221-G223 PolarHBondContact O-N 2.96Å; L221-L435 WeakPolarHBondContact O-CD1 3.31Å; L221-Y473 HydrophobicContact CD1-CD2 3.5Å; L221-Y473 VanDerWaalsContact CD1-CD2 3.5Å; L221-Y473 HydrophobicContact CD1-CE2 3.83Å; L221-Y473 HydrophobicContact CD1-CG 4.38Å; L221-Y473 HydrophobicContact CD2-CD2 4.01Å; L221-Y473 HydrophobicContact CG-CD2 4.25Å; L221-E476 HydrophobicContact CD1-CB 3.96Å; L221-E476 HydrophobicContact CD1-CG 3.66Å; L221-E476 HydrophobicContact CD2-CB 4.25Å; L221-E476 HydrophobicContact CD2-CG 4.34Å; L221-E476 HydrophobicContact CG-CB 4.27Å; L221-E476 HydrophobicContact CG-CG 3.88Å; L221-V477 HydrophobicContact CD1-CG1 3.97Å
222	Q	66.5	Low	80.3	Confident	146 Å²	146	39.6 Å²	39.6	68%	0.682	21%	0.207	S	C	*	.	S	Bend	trans	43.7	37.3	176.1	-59.5	-176.7	23.2	0	0	116	F216 G219	F216-Q222 CarbonylContact O-C 3.53Å; F216-Q222 VanDerWaalsContact O-CA 3.31Å; F216-Q222 WeakPolarHBondContact O-CA 3.46Å; G219-Q222 WeakPolarHBondContact O-CG 3.48Å; G219-Q222 PolarHBondContact O-N 2.87Å
223	G	74.8	Confident	80.6	Confident	5 Å²	5	39.3 Å²	39.3	5%	0.052	21%	0.206	C	C	.	.	S	Bend	trans	167.5	162.9	-175.4	0	0	0	0	0	111.8	F216 L221	F216-G223 PolarHBondContact O-N 3.27Å; L221-G223 PolarHBondContact O-N 2.96Å
224	K	85.4	Confident	81.3	Confident	46 Å²	46	37.5 Å²	37.5	20%	0.2	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.7	163.1	-75.6	-67	-176.4	178.6	0	110.7	L211 E212 F216 F235 E237	L211-K224 WeakPolarHBondContact CA-O 3.45Å; E212-K224 PolarHBondContact N-O 2.87Å; E212-K224 VanDerWaalsContact N-O 3.09Å; F216-K224 HydrophobicContact CB-CG 4.36Å; F216-K224 HydrophobicContact CD1-CD 4.25Å; F216-K224 HydrophobicContact CD1-CG 3.4Å; F216-K224 VanDerWaalsContact CD1-CG 3.4Å; F216-K224 HydrophobicContact CD2-CB 3.63Å; F216-K224 HydrophobicContact CD2-CG 3.39Å; F216-K224 HydrophobicContact CE1-CB 4.42Å; F216-K224 HydrophobicContact CE1-CD 4.13Å; F216-K224 HydrophobicContact CE1-CG 3.29Å; F216-K224 HydrophobicContact CE2-CB 3.57Å; F216-K224 HydrophobicContact CE2-CG 3.32Å; F216-K224 HydrophobicContact CG-CB 4.11Å; F216-K224 HydrophobicContact CG-CG 3.43Å; F216-K224 VanDerWaalsContact CG-CG 3.43Å; F216-K224 HydrophobicContact CZ-CB 3.99Å; F216-K224 HydrophobicContact CZ-CD 4.41Å; F216-K224 HydrophobicContact CZ-CG 3.26Å; K224-F235 HydrophobicContact CB-CD1 4.01Å; K224-F235 HydrophobicContact CB-CE1 4.23Å; K224-E237 HydrophobicContact CD-CB 4.04Å; K224-E237 HydrophobicContact CD-CG 4.11Å; K224-E237 WeakPolarHBondContact CD-OE1 3.29Å
225	W	92.5	Very high	81.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.8	179.6	-159.5	-98	0	0	0	110.8	V120 C209 L211 T236 E237 A432 I436 M438 P441 S442	V120-W225 HydrophobicContact CG1-CH2 3.88Å; V120-W225 HydrophobicContact CG1-CZ2 4.09Å; C209-W225 VanDerWaalsContact CB-CE2 3.49Å; C209-W225 HydrophobicContact CB-CH2 4.12Å; C209-W225 HydrophobicContact CB-CZ2 3.23Å; C209-W225 VanDerWaalsContact SG-CZ2 3.54Å; L211-W225 HydrophobicContact CD2-CE3 4Å; L211-W225 HydrophobicContact CD2-CZ3 4.5Å; W225-T236 PolarHBondContact O-N 3.43Å; W225-E237 WeakPolarHBondContact CB-OE1 3.44Å; W225-E237 PolarHBondContact N-OE1 2.97Å; W225-E237 PolarHBondContact N-OE2 2.96Å; W225-E237 VanDerWaalsContact N-OE2 3.11Å; W225-E237 VanDerWaalsContact O-OE2 3.14Å; W225-A432 HydrophobicContact CH2-CB 3.69Å; W225-A432 HydrophobicContact CZ2-CB 4.19Å; W225-A432 HydrophobicContact CZ3-CB 3.85Å; W225-I436 HydrophobicContact CZ3-CB 4.18Å; W225-M438 WeakPolarHBondContact CH2-O 3.28Å; W225-P441 HydrophobicContact CB-CB 4.21Å; W225-P441 HydrophobicContact CD2-CB 3.55Å; W225-P441 HydrophobicContact CD2-CG 3.63Å; W225-P441 HydrophobicContact CE3-CB 4.09Å; W225-P441 HydrophobicContact CE3-CG 3.64Å; W225-P441 HydrophobicContact CG-CB 3.6Å; W225-P441 HydrophobicContact CG-CG 4.19Å; W225-P441 HydrophobicContact CH2-CG 4.01Å; W225-P441 HydrophobicContact CZ2-CB 4.3Å; W225-P441 HydrophobicContact CZ2-CG 4.03Å; W225-P441 HydrophobicContact CZ3-CG 3.83Å; W225-S442 PolarHBondContact NE1-OG 3.44Å; W225-S442 VanDerWaalsContact NE1-OG 3.07Å
226	F	95.8	Very high	82.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126	174.5	-163.1	-88	0	0	0	108.4	C209 A210 V228 A233 G234 F235 L247 F408 F427 L429	C209-F226 CarbonylContact C-O 3.57Å; C209-F226 WeakPolarHBondContact CA-O 3.42Å; A210-F226 HydrophobicContact CB-CB 4.29Å; A210-F226 PolarHBondContact N-O 2.9Å; A210-F226 PolarHBondContact O-N 3Å; A210-F226 VanDerWaalsContact O-O 3.12Å; F226-V228 HydrophobicContact CD1-CG2 3.91Å; F226-V228 HydrophobicContact CE1-CG2 3.86Å; F226-A233 HydrophobicContact CE1-CB 4.07Å; F226-A233 HydrophobicContact CZ-CB 4.25Å; F226-G234 CarbonylContact C-O 3.59Å; F226-G234 WeakPolarHBondContact CA-O 3.46Å; F226-G234 WeakPolarHBondContact CD2-O 3.48Å; F226-F235 AromaticContact CD2-CD1 3.96Å; F226-F235 HydrophobicContact CD2-CD1 3.96Å; F226-F235 HydrophobicContact CD2-CD2 4.2Å; F226-F235 AromaticContact CD2-CE1 3.93Å; F226-F235 HydrophobicContact CD2-CE1 3.93Å; F226-F235 HydrophobicContact CD2-CE2 4.16Å; F226-F235 HydrophobicContact CD2-CG 4.11Å; F226-F235 HydrophobicContact CD2-CZ 4.03Å; F226-F235 HydrophobicContact CE2-CD2 4.17Å; F226-F235 HydrophobicContact CE2-CE2 4.08Å; F226-F235 HydrophobicContact CE2-CG 4.5Å; F226-F235 HydrophobicContact CE2-CZ 4.32Å; F226-L247 HydrophobicContact CE1-CD1 4.11Å; F226-L247 HydrophobicContact CE1-CD2 4.41Å; F226-L247 HydrophobicContact CZ-CD1 3.84Å; F226-F408 AromaticContact CE2-CE1 3.86Å; F226-F408 HydrophobicContact CE2-CE1 3.86Å; F226-F408 HydrophobicContact CE2-CZ 4.42Å; F226-F408 HydrophobicContact CZ-CE1 4.09Å; F226-F427 HydrophobicContact CD2-CE2 4.38Å; F226-F427 AromaticContact CE2-CE2 3.83Å; F226-F427 HydrophobicContact CE2-CE2 3.83Å; F226-F427 AromaticContact CE2-CZ 3.88Å; F226-F427 HydrophobicContact CE2-CZ 3.88Å; F226-F427 HydrophobicContact CZ-CZ 4.13Å; F226-L429 HydrophobicContact CB-CD2 3.92Å; F226-L429 HydrophobicContact CD1-CD1 3.95Å; F226-L429 HydrophobicContact CD1-CD2 4.04Å; F226-L429 HydrophobicContact CD2-CD2 3.91Å; F226-L429 HydrophobicContact CE1-CD1 3.89Å; F226-L429 HydrophobicContact CE2-CD2 4.44Å; F226-L429 HydrophobicContact CG-CD1 4.43Å; F226-L429 HydrophobicContact CG-CD2 3.68Å; F226-L429 HydrophobicContact CZ-CD1 4.34Å
227	E	96.6	Very high	83.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146	175.8	68	-178.1	-155.8	0	0	111	I207 Y208 A233 G234 T236 F241 S442 K447 R448	I207-E227 HydrophobicContact CG2-CB 4.05Å; Y208-E227 CarbonylContact O-C 3.53Å; Y208-E227 WeakPolarHBondContact O-CA 3.4Å; E227-A233 CarbonylContact O-C 3.52Å; E227-A233 VanDerWaalsContact O-CA 3.27Å; E227-A233 WeakPolarHBondContact O-CA 3.48Å; E227-G234 PolarHBondContact N-O 2.84Å; E227-G234 PolarHBondContact O-N 3.38Å; E227-T236 WeakPolarHBondContact CG-OG1 3.28Å; E227-T236 PolarHBondContact OE2-OG1 2.93Å; E227-F241 HydrophobicContact CG-CE1 3.82Å; E227-S442 VanDerWaalsContact OE2-CB 3.26Å; E227-S442 WeakPolarHBondContact OE2-CB 3.44Å; E227-S442 PolarHBondContact OE2-OG 3Å; E227-K447 IonicContact OE1-NZ 3.28Å; E227-K447 PolarHBondContact OE1-NZ 3.41Å; E227-K447 VanDerWaalsContact OE1-NZ 3.17Å; E227-R448 IonicContact OE1-CZ 2.77Å; E227-R448 IonicContact OE1-NH1 3.75Å; E227-R448 PolarHBondContact OE1-NH1 2.61Å; E227-R448 IonicContact OE1-NH2 2.98Å; E227-R448 PolarHBondContact OE1-NH2 3.19Å; E227-R448 IonicContact OE2-CZ 3.78Å; E227-R448 IonicContact OE2-NH1 3.04Å; E227-R448 PolarHBondContact OE2-NH1 3.26Å; E227-R448 IonicContact OE2-NH2 3.41Å
228	V	98.3	Very high	84.9	Confident	2 Å²	2	32 Å²	32	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.3	176.5	-162.7	0	0	0	0	107.7	L193 Y208 F226 A233 T244 L247 L268	L193-V228 HydrophobicContact CD2-CB 4.3Å; L193-V228 HydrophobicContact CD2-CG1 3.63Å; Y208-V228 PolarHBondContact N-O 3.23Å; Y208-V228 PolarHBondContact O-N 2.92Å; F226-V228 HydrophobicContact CD1-CG2 3.91Å; F226-V228 HydrophobicContact CE1-CG2 3.86Å; V228-A233 HydrophobicContact CB-CB 4.47Å; V228-A233 HydrophobicContact CG1-CB 3.93Å; V228-A233 HydrophobicContact CG2-CB 4.43Å; V228-T244 HydrophobicContact CG1-CG2 3.87Å; V228-L247 HydrophobicContact CG1-CD2 4.28Å; V228-L247 HydrophobicContact CG2-CD2 4.36Å; V228-L268 HydrophobicContact CG1-CD2 4.32Å; V228-L268 HydrophobicContact CG2-CD1 4.42Å
229	S	98.1	Very high	86.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.			trans	-123.7	175	177.6	73.4	0	0	0	0	110	Y205 H231 E232 T244	Y205-S229 VanDerWaalsContact OH-CB 3.31Å; Y205-S229 WeakPolarHBondContact OH-CB 3.48Å; Y205-S229 PolarHBondContact OH-OG 2.98Å; Y205-S229 VanDerWaalsContact OH-OG 3.08Å; S229-H231 PolarHBondContact O-N 2.87Å; S229-H231 PolarHBondContact OG-N 2.86Å; S229-E232 PolarHBondContact N-O 2.83Å; S229-E232 PolarHBondContact OG-N 3.22Å; S229-E232 VanDerWaalsContact OG-N 3.08Å; S229-E232 PolarHBondContact OG-O 2.93Å; S229-T244 WeakPolarHBondContact O-CB 3.17Å; S229-T244 WeakPolarHBondContact O-CG2 3.27Å; S229-T244 PolarHBondContact O-OG1 3.4Å
230	P	98.1	Very high	88.3	Confident	4 Å²	4	24.1 Å²	24.1	3%	0.026	13%	0.127	C	C	.	.	S	Bend	trans	-55.5	-29.4	171.6	-31	37.8	0	0	0	115.1	L193 S194 E196 A197 Y205 P206	L193-P230 HydrophobicContact CD1-CG 4.17Å; S194-P230 WeakPolarHBondContact CA-O 3.3Å; E196-P230 HydrophobicContact CB-CB 3.81Å; E196-P230 HydrophobicContact CB-CG 3.64Å; E196-P230 HydrophobicContact CG-CG 4.48Å; A197-P230 HydrophobicContact CB-CB 4.11Å; Y205-P230 HydrophobicContact CE2-CB 4.31Å; Y205-P230 HydrophobicContact CE2-CG 3.98Å; P206-P230 HydrophobicContact CG-CG 3.77Å; P206-P230 WeakPolarHBondContact O-CD 3.47Å
231	H	97.7	Very high	90.5	Very high	38 Å²	38	19.3 Å²	19.3	18%	0.176	10%	0.095	C	C	.	.	S	Bend	trans	-102.8	-41.2	-173.1	-61.5	95.2	0	0	0	113	G52 A197 Y205 S229 E243 T244	G52-H231 VanDerWaalsContact C-CE1 3.46Å; G52-H231 VanDerWaalsContact CA-CD2 3.47Å; G52-H231 WeakPolarHBondContact CA-CD2 3.46Å; G52-H231 PolarHBondContact O-CE1 2.82Å; G52-H231 PolarHBondContact O-NE2 3.17Å; A197-H231 WeakPolarHBondContact CB-NE2 3.42Å; Y205-H231 AromaticContact CE2-CE1 3.7Å; Y205-H231 AromaticContact CE2-ND1 3.41Å; Y205-H231 WeakPolarHBondContact CE2-ND1 3.42Å; Y205-H231 AromaticContact CZ-ND1 3.57Å; Y205-H231 PolarHBondContact OH-ND1 3.16Å; S229-H231 PolarHBondContact O-N 2.87Å; S229-H231 PolarHBondContact OG-N 2.86Å; H231-E243 WeakPolarHBondContact O-CA 3.39Å; H231-T244 PolarHBondContact O-N 3.21Å
232	E	97.3	Very high	92.2	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.037	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.7	-174.7	67	-179.3	-167.3	0	0	113.4	C50 S229 F241 V242 T244 K447	C50-E232 VanDerWaalsContact CB-OE2 3.31Å; C50-E232 WeakPolarHBondContact CB-OE2 3.5Å; S229-E232 PolarHBondContact N-O 2.83Å; S229-E232 PolarHBondContact OG-N 3.22Å; S229-E232 VanDerWaalsContact OG-N 3.08Å; S229-E232 PolarHBondContact OG-O 2.93Å; E232-F241 HydrophobicContact CB-CB 4.15Å; E232-F241 HydrophobicContact CB-CD1 4.36Å; E232-F241 HydrophobicContact CG-CB 4.44Å; E232-F241 HydrophobicContact CG-CD1 3.94Å; E232-F241 HydrophobicContact CG-CG 4.34Å; E232-V242 CarbonylContact C-O 3.59Å; E232-V242 VanDerWaalsContact CA-O 3.23Å; E232-V242 WeakPolarHBondContact CA-O 3.23Å; E232-T244 WeakPolarHBondContact CA-OG1 3.37Å; E232-T244 PolarHBondContact N-OG1 3.32Å; E232-T244 VanDerWaalsContact N-OG1 3.1Å; E232-T244 PolarHBondContact O-OG1 3.22Å; E232-K447 IonicContact OE1-NZ 2.74Å; E232-K447 PolarHBondContact OE1-NZ 2.99Å
233	A	97.8	Very high	93.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.6	174.5	0	0	0	0	0	109.9	F226 E227 V228 F241 V242 L247	F226-A233 HydrophobicContact CE1-CB 4.07Å; F226-A233 HydrophobicContact CZ-CB 4.25Å; E227-A233 CarbonylContact O-C 3.52Å; E227-A233 VanDerWaalsContact O-CA 3.27Å; E227-A233 WeakPolarHBondContact O-CA 3.48Å; V228-A233 HydrophobicContact CB-CB 4.47Å; V228-A233 HydrophobicContact CG1-CB 3.93Å; V228-A233 HydrophobicContact CG2-CB 4.43Å; A233-F241 WeakPolarHBondContact O-CA 3.39Å; A233-V242 PolarHBondContact N-O 3.2Å; A233-V242 PolarHBondContact O-N 2.97Å; A233-L247 HydrophobicContact CB-CB 4.27Å; A233-L247 HydrophobicContact CB-CD1 4.36Å; A233-L247 HydrophobicContact CB-CD2 4.03Å; A233-L247 HydrophobicContact CB-CG 4.46Å
234	G	96.4	Very high	94.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-176.1	-175.6	0	0	0	0	0	117	F226 E227 F240	F226-G234 CarbonylContact C-O 3.59Å; F226-G234 WeakPolarHBondContact CA-O 3.46Å; F226-G234 WeakPolarHBondContact CD2-O 3.48Å; E227-G234 PolarHBondContact N-O 2.84Å; E227-G234 PolarHBondContact O-N 3.38Å; G234-F240 CarbonylContact C-O 3.51Å; G234-F240 WeakPolarHBondContact CA-O 3.41Å
235	F	94.3	Very high	95.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.1	-178.4	-70.8	-78	0	0	0	111.2	E212 F216 K224 F226 E237 L238 N239 F240 F408 L409 L421 F427	E212-F235 HydrophobicContact CB-CE1 3.78Å; E212-F235 HydrophobicContact CB-CZ 4.23Å; E212-F235 HydrophobicContact CG-CE1 4.29Å; E212-F235 HydrophobicContact CG-CZ 4.26Å; F216-F235 HydrophobicContact CE2-CE1 4.35Å; K224-F235 HydrophobicContact CB-CD1 4.01Å; K224-F235 HydrophobicContact CB-CE1 4.23Å; F226-F235 AromaticContact CD2-CD1 3.96Å; F226-F235 HydrophobicContact CD2-CD1 3.96Å; F226-F235 HydrophobicContact CD2-CD2 4.2Å; F226-F235 AromaticContact CD2-CE1 3.93Å; F226-F235 HydrophobicContact CD2-CE1 3.93Å; F226-F235 HydrophobicContact CD2-CE2 4.16Å; F226-F235 HydrophobicContact CD2-CG 4.11Å; F226-F235 HydrophobicContact CD2-CZ 4.03Å; F226-F235 HydrophobicContact CE2-CD2 4.17Å; F226-F235 HydrophobicContact CE2-CE2 4.08Å; F226-F235 HydrophobicContact CE2-CG 4.5Å; F226-F235 HydrophobicContact CE2-CZ 4.32Å; F235-E237 VanDerWaalsContact C-N 3.34Å; F235-E237 PolarHBondContact O-N 3.21Å; F235-L238 HydrophobicContact CB-CB 3.86Å; F235-L238 HydrophobicContact CB-CD1 3.96Å; F235-L238 HydrophobicContact CB-CG 3.88Å; F235-L238 HydrophobicContact CD1-CD1 4.4Å; F235-L238 HydrophobicContact CD2-CD1 4.24Å; F235-L238 HydrophobicContact CG-CD1 3.96Å; F235-L238 HydrophobicContact CG-CG 4.39Å; F235-L238 PolarHBondContact O-N 2.91Å; F235-N239 PolarHBondContact O-N 2.86Å; F235-F240 PolarHBondContact N-O 2.87Å; F235-F240 PolarHBondContact O-N 3.21Å; F235-F408 HydrophobicContact CD2-CZ 4.03Å; F235-F408 HydrophobicContact CE2-CE1 4.42Å; F235-F408 HydrophobicContact CE2-CZ 4.3Å; F235-L409 HydrophobicContact CD2-CD1 3.83Å; F235-L409 HydrophobicContact CE2-CD1 3.83Å; F235-L421 HydrophobicContact CD2-CD1 4.24Å; F235-L421 HydrophobicContact CE1-CD1 4.19Å; F235-L421 HydrophobicContact CE2-CD1 3.63Å; F235-L421 HydrophobicContact CE2-CD2 4.42Å; F235-L421 HydrophobicContact CZ-CD1 3.6Å; F235-L421 HydrophobicContact CZ-CD2 4.01Å; F235-L421 HydrophobicContact CZ-CG 4.48Å; F235-F427 AromaticContact CE2-CD2 3.92Å; F235-F427 HydrophobicContact CE2-CD2 3.92Å; F235-F427 AromaticContact CE2-CE2 3.55Å; F235-F427 HydrophobicContact CE2-CE2 3.55Å; F235-F427 AromaticContact CZ-CD2 3.56Å; F235-F427 HydrophobicContact CZ-CD2 3.56Å; F235-F427 AromaticContact CZ-CE2 3.52Å; F235-F427 HydrophobicContact CZ-CE2 3.52Å
236	T	89	Confident	95.6	Very high	22 Å²	22	14.9 Å²	14.9	14%	0.135	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-40.5	-176.3	-55.5	0	0	0	0	112.1	W225 E227 N239	W225-T236 PolarHBondContact O-N 3.43Å; E227-T236 WeakPolarHBondContact CG-OG1 3.28Å; E227-T236 PolarHBondContact OE2-OG1 2.93Å; T236-N239 PolarHBondContact O-OD1 3.08Å
237	E	87.6	Confident	95.6	Very high	38 Å²	38	15.1 Å²	15.1	18%	0.178	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-25.3	-177.5	-52.1	95.4	135.9	0	0	113.2	K224 W225 F235 Y473 V477	K224-E237 HydrophobicContact CD-CB 4.04Å; K224-E237 HydrophobicContact CD-CG 4.11Å; K224-E237 WeakPolarHBondContact CD-OE1 3.29Å; W225-E237 WeakPolarHBondContact CB-OE1 3.44Å; W225-E237 PolarHBondContact N-OE1 2.97Å; W225-E237 PolarHBondContact N-OE2 2.96Å; W225-E237 VanDerWaalsContact N-OE2 3.11Å; W225-E237 VanDerWaalsContact O-OE2 3.14Å; F235-E237 VanDerWaalsContact C-N 3.34Å; F235-E237 PolarHBondContact O-N 3.21Å; E237-Y473 VanDerWaalsContact CD-OH 3.3Å; E237-Y473 WeakPolarHBondContact CG-OH 3.28Å; E237-Y473 PolarHBondContact OE1-OH 2.68Å; E237-Y473 VanDerWaalsContact OE1-OH 3.13Å; E237-V477 HydrophobicContact CG-CG1 4.28Å
238	L	90.3	Very high	95.5	Very high	18 Å²	18	15.7 Å²	15.7	9%	0.094	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.5	178.5	-48.4	-178.9	0	0	0	112.1	H45 F216 F235 F240 L421	H45-L238 PolarHBondContact CD2-O 3.29Å; F216-L238 HydrophobicContact CZ-CD1 4.48Å; F235-L238 HydrophobicContact CB-CB 3.86Å; F235-L238 HydrophobicContact CB-CD1 3.96Å; F235-L238 HydrophobicContact CB-CG 3.88Å; F235-L238 HydrophobicContact CD1-CD1 4.4Å; F235-L238 HydrophobicContact CD2-CD1 4.24Å; F235-L238 HydrophobicContact CG-CD1 3.96Å; F235-L238 HydrophobicContact CG-CG 4.39Å; F235-L238 PolarHBondContact O-N 2.91Å; L238-F240 HydrophobicContact CB-CD2 3.64Å; L238-F240 HydrophobicContact CB-CE2 4.25Å; L238-F240 VanDerWaalsContact O-CD2 3.27Å; L238-F240 WeakPolarHBondContact O-CD2 3.43Å; L238-F240 WeakPolarHBondContact O-CE2 3.35Å; L238-F240 PolarHBondContact O-N 2.85Å; L238-L421 HydrophobicContact CD1-CD1 3.84Å
239	N	92.3	Very high	95.5	Very high	43 Å²	43	15.6 Å²	15.6	23%	0.23	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	24.8	-174.9	-60.9	-58.8	0	0	0	114.2	H45 S46 F235 T236	H45-N239 CarbonylContact C-O 3.27Å; H45-N239 VanDerWaalsContact CA-O 3.25Å; H45-N239 WeakPolarHBondContact CA-O 3.5Å; H45-N239 PolarHBondContact CD2-O 2.87Å; S46-N239 PolarHBondContact N-O 3.1Å; S46-N239 WeakPolarHBondContact O-CB 3.38Å; F235-N239 PolarHBondContact O-N 2.86Å; T236-N239 PolarHBondContact O-OD1 3.08Å
240	F	94.7	Very high	95.4	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.009	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.3	177.1	-70.4	-70.4	0	0	0	111.4	I43 H44 H45 G234 F235 L238 F408 L409 F412 S416 V417	I43-F240 HydrophobicContact CG2-CD1 4.12Å; H44-F240 WeakPolarHBondContact O-CA 3.05Å; H45-F240 HydrophobicContact CB-CD1 3.77Å; H45-F240 HydrophobicContact CB-CE1 3.48Å; H45-F240 VanDerWaalsContact CB-CE1 3.48Å; H45-F240 HydrophobicContact CB-CZ 4.37Å; H45-F240 AromaticContact CD2-CD1 3.9Å; H45-F240 AromaticContact CD2-CE1 3.54Å; H45-F240 AromaticContact CD2-CZ 3.63Å; H45-F240 AromaticContact CG-CD1 3.97Å; H45-F240 AromaticContact CG-CE1 3.4Å; H45-F240 AromaticContact CG-CZ 3.8Å; H45-F240 AromaticContact NE2-CZ 3.92Å; G234-F240 CarbonylContact C-O 3.51Å; G234-F240 WeakPolarHBondContact CA-O 3.41Å; F235-F240 PolarHBondContact N-O 2.87Å; F235-F240 PolarHBondContact O-N 3.21Å; L238-F240 HydrophobicContact CB-CD2 3.64Å; L238-F240 HydrophobicContact CB-CE2 4.25Å; L238-F240 VanDerWaalsContact O-CD2 3.27Å; L238-F240 WeakPolarHBondContact O-CD2 3.43Å; L238-F240 WeakPolarHBondContact O-CE2 3.35Å; L238-F240 PolarHBondContact O-N 2.85Å; F240-F408 HydrophobicContact CB-CE2 4.13Å; F240-L409 HydrophobicContact CB-CD1 4.41Å; F240-L409 HydrophobicContact CB-CD2 3.97Å; F240-L409 HydrophobicContact CD1-CD2 4.25Å; F240-L409 HydrophobicContact CD2-CD2 4.39Å; F240-L409 HydrophobicContact CG-CD2 3.96Å; F240-F412 HydrophobicContact CD1-CE1 4.01Å; F240-F412 AromaticContact CE1-CE1 3.41Å; F240-F412 HydrophobicContact CE1-CE1 3.41Å; F240-F412 VanDerWaalsContact CE1-CE1 3.41Å; F240-F412 AromaticContact CE1-CZ 3.99Å; F240-F412 HydrophobicContact CE1-CZ 3.99Å; F240-F412 AromaticContact CZ-CE1 3.79Å; F240-F412 HydrophobicContact CZ-CE1 3.79Å; F240-F412 HydrophobicContact CZ-CZ 4.38Å; F240-S416 VanDerWaalsContact CE2-OG 3.3Å; F240-S416 WeakPolarHBondContact CE2-OG 3.48Å; F240-S416 WeakPolarHBondContact CZ-OG 3.23Å; F240-V417 HydrophobicContact CD2-CG2 3.85Å; F240-V417 HydrophobicContact CE2-CG2 3.31Å; F240-V417 HydrophobicContact CZ-CG2 3.78Å
241	F	96.3	Very high	95.3	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.7	-176.5	-61.4	-88.5	0	0	0	111.3	I43 H44 E227 E232 A233	I43-F241 CarbonylContact C-O 3.58Å; I43-F241 WeakPolarHBondContact CA-O 3.28Å; H44-F241 PolarHBondContact N-O 3.44Å; H44-F241 PolarHBondContact O-N 3.47Å; E227-F241 HydrophobicContact CG-CE1 3.82Å; E232-F241 HydrophobicContact CB-CB 4.15Å; E232-F241 HydrophobicContact CB-CD1 4.36Å; E232-F241 HydrophobicContact CG-CB 4.44Å; E232-F241 HydrophobicContact CG-CD1 3.94Å; E232-F241 HydrophobicContact CG-CG 4.34Å; A233-F241 WeakPolarHBondContact O-CA 3.39Å
242	V	97.1	Very high	95.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	161.6	165.5	-69	0	0	0	0	108.8	I43 E232 A233 T244 F251 F408	I43-V242 HydrophobicContact CG1-CG1 3.93Å; E232-V242 CarbonylContact C-O 3.59Å; E232-V242 VanDerWaalsContact CA-O 3.23Å; E232-V242 WeakPolarHBondContact CA-O 3.23Å; A233-V242 PolarHBondContact N-O 3.2Å; A233-V242 PolarHBondContact O-N 2.97Å; V242-T244 PolarHBondContact O-N 3.39Å; V242-F251 HydrophobicContact CG1-CZ 4.18Å; V242-F408 HydrophobicContact CG1-CB 3.76Å; V242-F408 HydrophobicContact CG1-CD1 4.23Å; V242-F408 HydrophobicContact CG1-CD2 3.49Å; V242-F408 VanDerWaalsContact CG1-CD2 3.49Å; V242-F408 HydrophobicContact CG1-CE2 4.07Å; V242-F408 HydrophobicContact CG1-CG 3.57Å; V242-F408 HydrophobicContact CG2-CD1 4.02Å; V242-F408 HydrophobicContact CG2-CE1 4.31Å; V242-F408 HydrophobicContact CG2-CG 4.2Å
243	E	97.1	Very high	94.9	Very high	97 Å²	97	24.1 Å²	24.1	45%	0.453	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	138.2	166.8	-65.8	-174.7	172.8	0	0	110.2	H231 S245 L246	H231-E243 WeakPolarHBondContact O-CA 3.39Å; E243-S245 PolarHBondContact O-N 2.96Å; E243-S245 VanDerWaalsContact O-N 3.13Å; E243-L246 HydrophobicContact CB-CD1 4.15Å; E243-L246 HydrophobicContact CB-CG 4.14Å; E243-L246 WeakPolarHBondContact O-CA 3.47Å; E243-L246 WeakPolarHBondContact O-CB 3.39Å; E243-L246 PolarHBondContact O-N 3.49Å
244	T	97.6	Very high	94.5	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.025	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-56.5	-34.8	-178.1	-60	0	0	0	0	112.5	L193 V228 S229 H231 E232 V242 L246 L247	L193-T244 HydrophobicContact CB-CG2 4.15Å; L193-T244 HydrophobicContact CD2-CG2 4.24Å; L193-T244 HydrophobicContact CG-CG2 4.31Å; V228-T244 HydrophobicContact CG1-CG2 3.87Å; S229-T244 WeakPolarHBondContact O-CB 3.17Å; S229-T244 WeakPolarHBondContact O-CG2 3.27Å; S229-T244 PolarHBondContact O-OG1 3.4Å; H231-T244 PolarHBondContact O-N 3.21Å; E232-T244 WeakPolarHBondContact CA-OG1 3.37Å; E232-T244 PolarHBondContact N-OG1 3.32Å; E232-T244 VanDerWaalsContact N-OG1 3.1Å; E232-T244 PolarHBondContact O-OG1 3.22Å; V242-T244 PolarHBondContact O-N 3.39Å; T244-L246 PolarHBondContact O-N 3.4Å; T244-L246 VanDerWaalsContact O-N 3.14Å; T244-L247 WeakPolarHBondContact O-CB 3.49Å; T244-L247 PolarHBondContact O-N 3.32Å; T244-L247 VanDerWaalsContact O-N 3.1Å
245	S	97.1	Very high	94.3	Very high	24 Å²	24	34.2 Å²	34.2	17%	0.168	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-66.4	-12	176.7	80.8	0	0	0	0	114.9	E243 E262	E243-S245 PolarHBondContact O-N 2.96Å; E243-S245 VanDerWaalsContact O-N 3.13Å; S245-E262 VanDerWaalsContact CA-OE2 3.28Å; S245-E262 WeakPolarHBondContact CA-OE2 3.33Å; S245-E262 WeakPolarHBondContact CB-OE2 3.41Å
246	L	97.4	Very high	94.4	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-101.8	-5.9	177.1	-58.5	179.3	0	0	0	112.7	E243 T244 G248 S249 F251 L256 K259	E243-L246 HydrophobicContact CB-CD1 4.15Å; E243-L246 HydrophobicContact CB-CG 4.14Å; E243-L246 WeakPolarHBondContact O-CA 3.47Å; E243-L246 WeakPolarHBondContact O-CB 3.39Å; E243-L246 PolarHBondContact O-N 3.49Å; T244-L246 PolarHBondContact O-N 3.4Å; T244-L246 VanDerWaalsContact O-N 3.14Å; L246-G248 PolarHBondContact O-N 3.04Å; L246-S249 WeakPolarHBondContact O-CB 3.32Å; L246-S249 PolarHBondContact O-N 2.81Å; L246-S249 PolarHBondContact O-OG 3.31Å; L246-F251 HydrophobicContact CB-CZ 4.16Å; L246-F251 HydrophobicContact CD1-CZ 4.29Å; L246-L256 HydrophobicContact CD2-CD2 4.05Å; L246-K259 HydrophobicContact CD2-CD 4.22Å; L246-K259 HydrophobicContact CD2-CG 4.28Å
247	L	96.6	Very high	94.7	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	123.3	175.7	-178.8	62.4	0	0	0	110.2	F226 V228 A233 T244 T405	F226-L247 HydrophobicContact CE1-CD1 4.11Å; F226-L247 HydrophobicContact CE1-CD2 4.41Å; F226-L247 HydrophobicContact CZ-CD1 3.84Å; V228-L247 HydrophobicContact CG1-CD2 4.28Å; V228-L247 HydrophobicContact CG2-CD2 4.36Å; A233-L247 HydrophobicContact CB-CB 4.27Å; A233-L247 HydrophobicContact CB-CD1 4.36Å; A233-L247 HydrophobicContact CB-CD2 4.03Å; A233-L247 HydrophobicContact CB-CG 4.46Å; T244-L247 WeakPolarHBondContact O-CB 3.49Å; T244-L247 PolarHBondContact O-N 3.32Å; T244-L247 VanDerWaalsContact O-N 3.1Å; L247-T405 HydrophobicContact CD1-CG2 4.08Å; L247-T405 HydrophobicContact CG-CG2 4.42Å
248	G	95.3	Very high	95.1	Very high	11 Å²	11	43.2 Å²	43.2	11%	0.113	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-6.8	-175.1	0	0	0	0	0	115	L246 K260 S406	L246-G248 PolarHBondContact O-N 3.04Å; G248-K260 WeakPolarHBondContact O-CG 3.44Å; G248-S406 WeakPolarHBondContact O-CB 3.44Å; G248-S406 PolarHBondContact O-OG 3.36Å
249	S	96.8	Very high	95.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	24%	0.236	C	C	.	.			trans	-71.3	158.1	169.7	-64.9	0	0	0	0	112.1	L246 F251 E258 K260 S406	L246-S249 WeakPolarHBondContact O-CB 3.32Å; L246-S249 PolarHBondContact O-N 2.81Å; L246-S249 PolarHBondContact O-OG 3.31Å; S249-F251 WeakPolarHBondContact O-CD2 3.44Å; S249-E258 VanDerWaalsContact CB-O 3.31Å; S249-E258 WeakPolarHBondContact CB-O 3.31Å; S249-K260 PolarHBondContact OG-N 2.94Å; S249-S406 WeakPolarHBondContact O-CB 3.31Å
250	K	96.2	Very high	95.5	Very high	54 Å²	54	48.8 Å²	48.8	24%	0.235	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.3	-179.1	-56.9	-167.9	179.7	-175.5	0	110.9	E168 I257 E258	E168-K250 VanDerWaalsContact CD-NZ 3.29Å; E168-K250 IonicContact OE1-NZ 2.94Å; E168-K250 PolarHBondContact OE1-NZ 2.86Å; E168-K250 VanDerWaalsContact OE2-CE 3.28Å; E168-K250 WeakPolarHBondContact OE2-CE 3.37Å; E168-K250 IonicContact OE2-NZ 2.57Å; E168-K250 PolarHBondContact OE2-NZ 2.79Å; K250-I257 PolarHBondContact O-N 3.2Å; K250-E258 HydrophobicContact CB-CB 4.03Å; K250-E258 WeakPolarHBondContact CD-OE2 3.3Å; K250-E258 HydrophobicContact CG-CB 4.32Å; K250-E258 PolarHBondContact N-O 2.81Å; K250-E258 IonicContact NZ-OE2 3.26Å; K250-E258 PolarHBondContact O-N 3.07Å
251	F	95.8	Very high	95.5	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	155.4	176.6	-68.7	-103.8	0	0	0	110.6	I43 V242 L246 S249 E255 L256 F408 Y410	I43-F251 HydrophobicContact CD1-CD1 4.32Å; I43-F251 HydrophobicContact CG1-CD1 4.36Å; I43-F251 HydrophobicContact CG1-CE1 4.3Å; V242-F251 HydrophobicContact CG1-CZ 4.18Å; L246-F251 HydrophobicContact CB-CZ 4.16Å; L246-F251 HydrophobicContact CD1-CZ 4.29Å; S249-F251 WeakPolarHBondContact O-CD2 3.44Å; F251-E255 CarbonylContact C-O 3.57Å; F251-E255 WeakPolarHBondContact CA-O 3.43Å; F251-L256 HydrophobicContact CD1-CB 4.25Å; F251-L256 HydrophobicContact CD2-CD1 4.38Å; F251-L256 HydrophobicContact CE1-CB 3.93Å; F251-L256 HydrophobicContact CE1-CD1 4.11Å; F251-L256 HydrophobicContact CE2-CD1 3.92Å; F251-L256 HydrophobicContact CZ-CB 4.41Å; F251-L256 HydrophobicContact CZ-CD1 3.78Å; F251-F408 WeakPolarHBondContact CB-O 3.39Å; F251-F408 HydrophobicContact CD2-CB 3.56Å; F251-F408 HydrophobicContact CE2-CB 3.78Å; F251-F408 HydrophobicContact CG-CB 3.98Å; F251-F408 HydrophobicContact CZ-CB 4.37Å; F251-Y410 WeakPolarHBondContact O-CD1 3.28Å
252	H	94.9	Very high	95.5	Very high	90 Å²	90	54.2 Å²	54.2	42%	0.417	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	122	169.1	-177	93.5	0	0	0	108.8	R254 E255 I257 Y410	H252-R254 VanDerWaalsContact C-N 3.28Å; H252-R254 PolarHBondContact O-N 2.94Å; H252-E255 PolarHBondContact N-O 3.08Å; H252-E255 PolarHBondContact O-N 2.92Å; H252-I257 HydrophobicContact CB-CD1 3.97Å; H252-I257 HydrophobicContact CB-CG1 3.58Å; H252-Y410 AromaticContact ND1-CD1 3.93Å; H252-Y410 AromaticContact ND1-CE1 3.65Å
253	N	92.1	Very high	95.4	Very high	78 Å²	78	55.5 Å²	55.5	42%	0.417	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	50.3	179.2	-171.7	38.6	0	0	0	112.5	E255 Y410 Q411	N253-E255 PolarHBondContact O-N 3.44Å; N253-Y410 PolarHBondContact N-O 3.35Å; N253-Q411 WeakPolarHBondContact CA-O 3.37Å; N253-Q411 HydrophobicContact CB-CB 4.46Å; N253-Q411 PolarHBondContact OD1-O 3.07Å
254	R	89.9	Confident	95.4	Very high	79 Å²	79	51.6 Å²	51.6	30%	0.298	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-6.7	-178.1	-41.9	171	77.1	-164.1	-2.7	117	E41 T42 I43 H252 F412	E41-R254 IonicContact OE1-CZ 3.52Å; E41-R254 VanDerWaalsContact OE1-CZ 3.28Å; E41-R254 IonicContact OE1-NH1 3.21Å; E41-R254 PolarHBondContact OE1-NH1 2.75Å; E41-R254 IonicContact OE1-NH2 3.96Å; E41-R254 PolarHBondContact OE1-NH2 2.8Å; E41-R254 IonicContact OE2-NH2 2.71Å; E41-R254 PolarHBondContact OE2-NH2 2.84Å; T42-R254 PolarHBondContact OG1-O 3.36Å; I43-R254 HydrophobicContact CD1-CB 4.1Å; I43-R254 HydrophobicContact CD1-CG 4.43Å; H252-R254 VanDerWaalsContact C-N 3.28Å; H252-R254 PolarHBondContact O-N 2.94Å; R254-F412 HydrophobicContact CG-CB 4.28Å; R254-F412 HydrophobicContact CG-CD1 4.39Å; R254-F412 HydrophobicContact CG-CD2 3.25Å; R254-F412 HydrophobicContact CG-CE2 3.57Å; R254-F412 HydrophobicContact CG-CG 3.72Å; R254-F412 HydrophobicContact CG-CZ 4.23Å
255	E	92.5	Very high	95.4	Very high	132 Å²	132	51.5 Å²	51.5	62%	0.617	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	134	178.8	-63.9	-176.2	175	0	0	110.5	F251 H252 N253 I257	F251-E255 CarbonylContact C-O 3.57Å; F251-E255 WeakPolarHBondContact CA-O 3.43Å; H252-E255 PolarHBondContact N-O 3.08Å; H252-E255 PolarHBondContact O-N 2.92Å; N253-E255 PolarHBondContact O-N 3.44Å; E255-I257 HydrophobicContact CB-CD1 4.17Å; E255-I257 PolarHBondContact O-N 3.25Å
256	L	95.8	Very high	95.4	Very high	63 Å²	63	50.3 Å²	50.3	33%	0.33	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	111	171.1	176.4	65.2	0	0	0	109	L246 F251 K259	L246-L256 HydrophobicContact CD2-CD2 4.05Å; F251-L256 HydrophobicContact CD1-CB 4.25Å; F251-L256 HydrophobicContact CD2-CD1 4.38Å; F251-L256 HydrophobicContact CE1-CB 3.93Å; F251-L256 HydrophobicContact CE1-CD1 4.11Å; F251-L256 HydrophobicContact CE2-CD1 3.92Å; F251-L256 HydrophobicContact CZ-CB 4.41Å; F251-L256 HydrophobicContact CZ-CD1 3.78Å; L256-K259 HydrophobicContact CD2-CB 4.3Å
257	I	96.3	Very high	95.3	Very high	106 Å²	106	51.3 Å²	51.3	54%	0.544	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-40.5	-177.9	-55.8	-54.2	0	0	0	111.1	K250 H252 E255	K250-I257 PolarHBondContact O-N 3.2Å; H252-I257 HydrophobicContact CB-CD1 3.97Å; H252-I257 HydrophobicContact CB-CG1 3.58Å; E255-I257 HydrophobicContact CB-CD1 4.17Å; E255-I257 PolarHBondContact O-N 3.25Å
258	E	95.6	Very high	95.3	Very high	80 Å²	80	51.3 Å²	51.3	37%	0.374	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	115.2	179.7	-170.8	-170.6	173.9	0	0	109.9	S249 K250 K260	S249-E258 VanDerWaalsContact CB-O 3.31Å; S249-E258 WeakPolarHBondContact CB-O 3.31Å; K250-E258 HydrophobicContact CB-CB 4.03Å; K250-E258 WeakPolarHBondContact CD-OE2 3.3Å; K250-E258 HydrophobicContact CG-CB 4.32Å; K250-E258 PolarHBondContact N-O 2.81Å; K250-E258 IonicContact NZ-OE2 3.26Å; K250-E258 PolarHBondContact O-N 3.07Å; E258-K260 VanDerWaalsContact CD-CE 3.4Å; E258-K260 VanDerWaalsContact CD-NZ 3.27Å; E258-K260 HydrophobicContact CG-CD 4.41Å; E258-K260 PolarHBondContact O-N 2.8Å; E258-K260 VanDerWaalsContact OE1-CE 3.25Å; E258-K260 WeakPolarHBondContact OE1-CE 3.5Å; E258-K260 IonicContact OE1-NZ 3.95Å; E258-K260 PolarHBondContact OE1-NZ 2.99Å; E258-K260 WeakPolarHBondContact OE2-CE 3.21Å; E258-K260 IonicContact OE2-NZ 3.57Å; E258-K260 PolarHBondContact OE2-NZ 2.84Å
259	K	95.9	Very high	95.3	Very high	137 Å²	137	51 Å²	51	60%	0.596	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-74	118.4	170	-173.1	171	-178.2	166.7	0	109.5	L246 L256	L246-K259 HydrophobicContact CD2-CD 4.22Å; L246-K259 HydrophobicContact CD2-CG 4.28Å; L256-K259 HydrophobicContact CD2-CB 4.3Å
260	K	94.9	Very high	95.3	Very high	41 Å²	41	51 Å²	51	18%	0.178	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-94.5	158.5	171	-64.5	-65.1	-164.3	179.6	0	110.1	E168 G248 S249 E258	E168-K260 IonicContact OE2-NZ 3.53Å; E168-K260 PolarHBondContact OE2-NZ 3.23Å; G248-K260 WeakPolarHBondContact O-CG 3.44Å; S249-K260 PolarHBondContact OG-N 2.94Å; E258-K260 VanDerWaalsContact CD-CE 3.4Å; E258-K260 VanDerWaalsContact CD-NZ 3.27Å; E258-K260 HydrophobicContact CG-CD 4.41Å; E258-K260 PolarHBondContact O-N 2.8Å; E258-K260 VanDerWaalsContact OE1-CE 3.25Å; E258-K260 WeakPolarHBondContact OE1-CE 3.5Å; E258-K260 IonicContact OE1-NZ 3.95Å; E258-K260 PolarHBondContact OE1-NZ 2.99Å; E258-K260 WeakPolarHBondContact OE2-CE 3.21Å; E258-K260 IonicContact OE2-NZ 3.57Å; E258-K260 PolarHBondContact OE2-NZ 2.84Å
261	P	94	Very high	95.2	Very high	93 Å²	93	48.6 Å²	48.6	60%	0.604	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-57	142.1	168.2	-22.2	33.9	0	0	0	111.2
262	E	96.2	Very high	95.2	Very high	25 Å²	25	48.3 Å²	48.3	12%	0.117	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-64.1	146.9	173	-175.3	179.1	160.3	0	0	109.9	H192 L193 S194 S245 D264	H192-E262 VanDerWaalsContact CB-CD 3.48Å; H192-E262 HydrophobicContact CB-CG 4.2Å; H192-E262 WeakPolarHBondContact CB-OE1 3.48Å; L193-E262 PolarHBondContact N-OE1 3.23Å; L193-E262 VanDerWaalsContact N-OE1 3.1Å; S194-E262 VanDerWaalsContact CB-OE2 3.23Å; S194-E262 WeakPolarHBondContact CB-OE2 3.24Å; S194-E262 PolarHBondContact N-OE1 3.14Å; S194-E262 PolarHBondContact OG-OE1 2.85Å; S194-E262 PolarHBondContact OG-OE2 2.85Å; S245-E262 VanDerWaalsContact CA-OE2 3.28Å; S245-E262 WeakPolarHBondContact CA-OE2 3.33Å; S245-E262 WeakPolarHBondContact CB-OE2 3.41Å; E262-D264 PolarHBondContact O-N 2.99Å
263	M	95.4	Very high	95.1	Very high	27 Å²	27	44.1 Å²	44.1	13%	0.133	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-63.3	129	170.8	-57.9	-172.8	-176.6	0	0	109.7	R267 V271 T405	M263-R267 HydrophobicContact CB-CB 4.27Å; M263-R267 HydrophobicContact CB-CG 4.25Å; M263-R267 HydrophobicContact CG-CG 4.22Å; M263-R267 HydrophobicContact SD-CG 4.11Å; M263-V271 HydrophobicContact SD-CG2 4.34Å; M263-T405 HydrophobicContact CE-CG2 3.72Å
264	D	96.6	Very high	95	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.08	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-68.8	166.5	166.4	70.3	17.5	0	0	0	111.2	W160 R191 E262 I266 R267 L268	W160-D264 WeakPolarHBondContact CZ2-OD1 3.41Å; W160-D264 PolarHBondContact NE1-OD2 3.28Å; R191-D264 CarbonylContact O-C 3.36Å; R191-D264 WeakPolarHBondContact O-CA 3.39Å; E262-D264 PolarHBondContact O-N 2.99Å; D264-I266 PolarHBondContact O-N 3.3Å; D264-I266 WeakPolarHBondContact OD1-CB 2.93Å; D264-I266 PolarHBondContact OD1-N 2.89Å; D264-I266 VanDerWaalsContact OD1-N 3.15Å; D264-R267 PolarHBondContact O-N 3.02Å; D264-R267 PolarHBondContact OD1-N 2.81Å; D264-L268 WeakPolarHBondContact O-CB 3.36Å; D264-L268 PolarHBondContact O-N 3.04Å
265	M	97.4	Very high	94.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-23.9	-178.9	-74	-55.8	-56.7	0	0	113	A128 D189 R191 L193 Y208 L268 Q269	A128-M265 HydrophobicContact CB-CE 3.54Å; D189-M265 HydrophobicContact CB-CB 3.96Å; D189-M265 WeakPolarHBondContact O-CB 3.45Å; R191-M265 WeakPolarHBondContact O-CG 3.36Å; R191-M265 PolarHBondContact O-N 3.36Å; L193-M265 HydrophobicContact CB-SD 3.85Å; L193-M265 HydrophobicContact CD1-SD 4.32Å; Y208-M265 HydrophobicContact CE1-CE 4Å; Y208-M265 HydrophobicContact CE2-CE 4.39Å; M265-L268 HydrophobicContact CE-CD2 4.33Å; M265-L268 HydrophobicContact SD-CD2 3.95Å; M265-Q269 VanDerWaalsContact O-CB 3.25Å; M265-Q269 WeakPolarHBondContact O-CB 3.33Å; M265-Q269 WeakPolarHBondContact O-CG 3.44Å; M265-Q269 PolarHBondContact O-N 3.32Å; M265-Q269 PolarHBondContact O-NE2 2.6Å
266	I	97.2	Very high	94.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.8	-50.3	175.2	-63.9	152.4	0	0	0	109.9	W160 V178 L188 D189 K190 D264 Q269 G270	W160-I266 HydrophobicContact CD2-CD1 4.43Å; W160-I266 HydrophobicContact CD2-CG2 4.32Å; W160-I266 HydrophobicContact CE3-CG2 4.35Å; W160-I266 HydrophobicContact CG-CD1 4.38Å; W160-I266 HydrophobicContact CH2-CB 4.28Å; W160-I266 HydrophobicContact CH2-CG2 3.69Å; W160-I266 HydrophobicContact CZ2-CB 3.77Å; W160-I266 HydrophobicContact CZ2-CG2 3.65Å; W160-I266 HydrophobicContact CZ3-CG2 4.06Å; V178-I266 HydrophobicContact CB-CG2 3.88Å; V178-I266 HydrophobicContact CG2-CG2 4.2Å; L188-I266 HydrophobicContact CB-CD1 3.91Å; L188-I266 HydrophobicContact CD2-CD1 4.02Å; L188-I266 HydrophobicContact CD2-CG1 4.29Å; L188-I266 HydrophobicContact CG-CD1 4.48Å; D189-I266 WeakPolarHBondContact O-CG1 3.35Å; D189-I266 PolarHBondContact O-N 3.15Å; K190-I266 HydrophobicContact CG-CD1 3.94Å; D264-I266 PolarHBondContact O-N 3.3Å; D264-I266 WeakPolarHBondContact OD1-CB 2.93Å; D264-I266 PolarHBondContact OD1-N 2.89Å; D264-I266 VanDerWaalsContact OD1-N 3.15Å; I266-Q269 PolarHBondContact O-N 3.01Å; I266-G270 PolarHBondContact O-N 2.77Å; I266-G270 VanDerWaalsContact O-N 3.07Å
267	R	96.4	Very high	93.7	Very high	30 Å²	30	28.2 Å²	28.2	11%	0.113	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-44.5	177.5	-178.2	169.9	-126.5	175.8	1.8	111.5	W160 H169 D174 M263 D264 Q269 G270 V271	W160-R267 HydrophobicContact CH2-CB 4.29Å; W160-R267 HydrophobicContact CZ2-CB 4.27Å; H169-R267 PolarHBondContact O-NH2 3.4Å; H169-R267 VanDerWaalsContact O-NH2 3.15Å; D174-R267 WeakPolarHBondContact OD1-CG 3.46Å; D174-R267 IonicContact OD1-CZ 2.95Å; D174-R267 VanDerWaalsContact OD1-CZ 3.27Å; D174-R267 IonicContact OD1-NE 3.16Å; D174-R267 PolarHBondContact OD1-NE 2.95Å; D174-R267 IonicContact OD1-NH2 3.26Å; D174-R267 PolarHBondContact OD1-NH2 2.96Å; D174-R267 IonicContact OD2-CZ 3.89Å; D174-R267 IonicContact OD2-NE 2.75Å; D174-R267 IonicContact OD2-NH2 3.96Å; D174-R267 PolarHBondContact OD2-NH2 2.86Å; M263-R267 HydrophobicContact CB-CB 4.27Å; M263-R267 HydrophobicContact CB-CG 4.25Å; M263-R267 HydrophobicContact CG-CG 4.22Å; M263-R267 HydrophobicContact SD-CG 4.11Å; D264-R267 PolarHBondContact O-N 3.02Å; D264-R267 PolarHBondContact OD1-N 2.81Å; R267-Q269 PolarHBondContact O-N 3.36Å; R267-G270 WeakPolarHBondContact O-CA 3.35Å; R267-G270 PolarHBondContact O-N 3.45Å; R267-G270 VanDerWaalsContact O-N 3.07Å; R267-V271 PolarHBondContact O-N 3.37Å; R267-V271 VanDerWaalsContact O-N 3.07Å
268	L	96.9	Very high	93	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-43.4	178.6	-176.7	59.1	0	0	0	111.5	L193 V228 D264 M265 G270 V271 L272	L193-L268 HydrophobicContact CB-CD2 4.21Å; L193-L268 HydrophobicContact CD2-CD2 3.79Å; V228-L268 HydrophobicContact CG1-CD2 4.32Å; V228-L268 HydrophobicContact CG2-CD1 4.42Å; D264-L268 WeakPolarHBondContact O-CB 3.36Å; D264-L268 PolarHBondContact O-N 3.04Å; M265-L268 HydrophobicContact CE-CD2 4.33Å; M265-L268 HydrophobicContact SD-CD2 3.95Å; L268-G270 VanDerWaalsContact C-N 3.26Å; L268-G270 PolarHBondContact O-N 3.41Å; L268-V271 WeakPolarHBondContact O-CB 3.22Å; L268-V271 PolarHBondContact O-N 3.41Å; L268-V271 VanDerWaalsContact O-N 3.11Å; L268-L272 HydrophobicContact CD1-CD1 4.08Å; L268-L272 HydrophobicContact CD1-CG 4.15Å; L268-L272 HydrophobicContact CD2-CD1 4.39Å; L268-L272 HydrophobicContact CG-CD1 3.7Å; L268-L272 HydrophobicContact CG-CG 4.27Å; L268-L272 WeakPolarHBondContact O-CB 3.44Å; L268-L272 WeakPolarHBondContact O-CD1 3.47Å; L268-L272 WeakPolarHBondContact O-CG 3.49Å; L268-L272 PolarHBondContact O-N 2.83Å
269	Q	95.3	Very high	91.7	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.023	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-36.4	172.6	-78.8	171.5	90.2	0	0	112.7	A128 S181 M265 I266 R267 V271 L272 G273	A128-Q269 HydrophobicContact CB-CG 3.69Å; S181-Q269 PolarHBondContact OG-NE2 3.47Å; M265-Q269 VanDerWaalsContact O-CB 3.25Å; M265-Q269 WeakPolarHBondContact O-CB 3.33Å; M265-Q269 WeakPolarHBondContact O-CG 3.44Å; M265-Q269 PolarHBondContact O-N 3.32Å; M265-Q269 PolarHBondContact O-NE2 2.6Å; I266-Q269 PolarHBondContact O-N 3.01Å; R267-Q269 PolarHBondContact O-N 3.36Å; Q269-V271 VanDerWaalsContact C-N 3.35Å; Q269-L272 PolarHBondContact O-N 3.14Å; Q269-G273 PolarHBondContact O-N 3.11Å
270	G	95.4	Very high	90.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-49.1	171.8	0	0	0	0	0	111.5	I266 R267 L268 C274	I266-G270 PolarHBondContact O-N 2.77Å; I266-G270 VanDerWaalsContact O-N 3.07Å; R267-G270 WeakPolarHBondContact O-CA 3.35Å; R267-G270 PolarHBondContact O-N 3.45Å; R267-G270 VanDerWaalsContact O-N 3.07Å; L268-G270 VanDerWaalsContact C-N 3.26Å; L268-G270 PolarHBondContact O-N 3.41Å; G270-C274 VanDerWaalsContact O-CB 3.23Å; G270-C274 WeakPolarHBondContact O-CB 3.46Å; G270-C274 PolarHBondContact O-N 3.12Å
271	V	95.3	Very high	89.5	Confident	5 Å²	5	23.5 Å²	23.5	3%	0.03	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-49.6	178.2	173.8	0	0	0	0	110.7	T173 M263 R267 L268 Q269 G273 C274 L429	T173-V271 HydrophobicContact CG2-CB 4.29Å; T173-V271 HydrophobicContact CG2-CG2 3.64Å; T173-V271 VanDerWaalsContact CG2-N 3.27Å; M263-V271 HydrophobicContact SD-CG2 4.34Å; R267-V271 PolarHBondContact O-N 3.37Å; R267-V271 VanDerWaalsContact O-N 3.07Å; L268-V271 WeakPolarHBondContact O-CB 3.22Å; L268-V271 PolarHBondContact O-N 3.41Å; L268-V271 VanDerWaalsContact O-N 3.11Å; Q269-V271 VanDerWaalsContact C-N 3.35Å; V271-G273 VanDerWaalsContact C-N 3.28Å; V271-G273 PolarHBondContact O-N 3.18Å; V271-C274 PolarHBondContact O-SG 2.88Å; V271-L429 HydrophobicContact CG1-CB 3.46Å; V271-L429 VanDerWaalsContact CG1-CB 3.46Å; V271-L429 HydrophobicContact CG1-CD1 4.44Å
272	L	95.9	Very high	88.4	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.2	-22.8	-174.4	-63.3	166.1	0	0	0	113.8	S121 T124 Y208 C209 A210 L268 Q269 D431	S121-L272 WeakPolarHBondContact CA-O 3.4Å; S121-L272 PolarHBondContact N-O 2.94Å; T124-L272 HydrophobicContact CG2-CB 4.02Å; T124-L272 HydrophobicContact CG2-CD1 4.11Å; Y208-L272 HydrophobicContact CD1-CD1 3.62Å; Y208-L272 HydrophobicContact CG-CD1 3.89Å; C209-L272 WeakPolarHBondContact O-CD2 3.43Å; A210-L272 HydrophobicContact CB-CD2 4.16Å; L268-L272 HydrophobicContact CD1-CD1 4.08Å; L268-L272 HydrophobicContact CD1-CG 4.15Å; L268-L272 HydrophobicContact CD2-CD1 4.39Å; L268-L272 HydrophobicContact CG-CD1 3.7Å; L268-L272 HydrophobicContact CG-CG 4.27Å; L268-L272 WeakPolarHBondContact O-CB 3.44Å; L268-L272 WeakPolarHBondContact O-CD1 3.47Å; L268-L272 WeakPolarHBondContact O-CG 3.49Å; L268-L272 PolarHBondContact O-N 2.83Å; Q269-L272 PolarHBondContact O-N 3.14Å; L272-D431 VanDerWaalsContact O-CG 3.26Å
273	G	92.5	Very high	87.1	Confident	2 Å²	2	25.5 Å²	25.5	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	14.2	-175.4	0	0	0	0	0	115.1	W176 Q269 V271 A275	W176-G273 PolarHBondContact NE1-O 2.81Å; Q269-G273 PolarHBondContact O-N 3.11Å; V271-G273 VanDerWaalsContact C-N 3.28Å; V271-G273 PolarHBondContact O-N 3.18Å; G273-A275 PolarHBondContact O-N 3.02Å
274	C	89.1	Confident	85.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.			trans	-80.2	40.4	-176.4	65.4	0	0	0	0	114.8	G270 V271 L276 A277 W402 I430	G270-C274 VanDerWaalsContact O-CB 3.23Å; G270-C274 WeakPolarHBondContact O-CB 3.46Å; G270-C274 PolarHBondContact O-N 3.12Å; V271-C274 PolarHBondContact O-SG 2.88Å; C274-L276 PolarHBondContact O-N 2.93Å; C274-A277 HydrophobicContact CB-CB 4.38Å; C274-A277 WeakPolarHBondContact O-CB 3.36Å; C274-A277 PolarHBondContact O-N 2.95Å; C274-W402 HydrophobicContact CB-CE3 3.65Å; C274-W402 HydrophobicContact CB-CZ3 3.94Å; C274-I430 VanDerWaalsContact SG-CA 3.59Å
275	A	87.1	Confident	84.6	Confident	14 Å²	14	30.2 Å²	30.2	12%	0.116	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-52	-29.8	175.9	0	0	0	0	0	113.3	G273 A277 H278 V281 D431 F537	G273-A275 PolarHBondContact O-N 3.02Å; A275-A277 PolarHBondContact O-N 3.09Å; A275-A277 VanDerWaalsContact O-N 3.11Å; A275-H278 WeakPolarHBondContact O-CB 3.45Å; A275-H278 PolarHBondContact O-N 3.43Å; A275-V281 VanDerWaalsContact O-CG2 3.28Å; A275-V281 WeakPolarHBondContact O-CG2 3.28Å; A275-D431 HydrophobicContact CB-CB 4.29Å; A275-D431 WeakPolarHBondContact CB-OD2 3.35Å; A275-D431 PolarHBondContact N-OD2 2.87Å; A275-F537 HydrophobicContact CB-CZ 4.18Å
276	L	83.9	Confident	83.8	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-57.2	-20.6	172.9	-76.5	-176.6	0	0	0	114.6	W176 C274 H278 V281 N310 W402 F537	W176-L276 HydrophobicContact CD2-CD1 3.98Å; W176-L276 HydrophobicContact CE3-CD1 3.47Å; W176-L276 VanDerWaalsContact CE3-CD1 3.47Å; W176-L276 HydrophobicContact CH2-CD1 3.43Å; W176-L276 VanDerWaalsContact CH2-CD1 3.43Å; W176-L276 HydrophobicContact CH2-CG 4.08Å; W176-L276 HydrophobicContact CZ2-CD1 3.93Å; W176-L276 HydrophobicContact CZ2-CG 4.22Å; W176-L276 HydrophobicContact CZ3-CD1 3.18Å; W176-L276 HydrophobicContact CZ3-CG 4.28Å; C274-L276 PolarHBondContact O-N 2.93Å; L276-H278 PolarHBondContact O-N 3.17Å; L276-V281 HydrophobicContact CD2-CG1 3.94Å; L276-N310 HydrophobicContact CD1-CB 4.1Å; L276-W402 HydrophobicContact CB-CH2 4.08Å; L276-W402 HydrophobicContact CB-CZ2 4.45Å; L276-F537 HydrophobicContact CD2-CD1 3.74Å; L276-F537 HydrophobicContact CD2-CE1 3.43Å; L276-F537 VanDerWaalsContact CD2-CE1 3.43Å; L276-F537 HydrophobicContact CD2-CZ 4.05Å; L276-F537 HydrophobicContact CG-CD1 4.3Å; L276-F537 HydrophobicContact CG-CE1 3.7Å; L276-F537 HydrophobicContact CG-CZ 4.46Å
277	A	81.1	Confident	83.1	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.008	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-69.6	-16.5	175.6	0	0	0	0	0	113.1	C274 A275 W402	C274-A277 HydrophobicContact CB-CB 4.38Å; C274-A277 WeakPolarHBondContact O-CB 3.36Å; C274-A277 PolarHBondContact O-N 2.95Å; A275-A277 PolarHBondContact O-N 3.09Å; A275-A277 VanDerWaalsContact O-N 3.11Å; A277-W402 HydrophobicContact CB-CB 3.77Å; A277-W402 HydrophobicContact CB-CD2 3.5Å; A277-W402 VanDerWaalsContact CB-CD2 3.5Å; A277-W402 HydrophobicContact CB-CE3 4.03Å; A277-W402 HydrophobicContact CB-CG 3.38Å
278	H	80.1	Confident	82.6	Confident	55 Å²	55	37.4 Å²	37.4	26%	0.255	19%	0.19	S	C	.	.	S	Bend	trans	-93.5	140.3	-176.6	-159.2	-97.2	0	0	0	112.4	A275 L276 E280 V281 L434	A275-H278 WeakPolarHBondContact O-CB 3.45Å; A275-H278 PolarHBondContact O-N 3.43Å; L276-H278 PolarHBondContact O-N 3.17Å; H278-E280 VanDerWaalsContact C-N 3.35Å; H278-E280 IonicContact CE1-OE2 2.85Å; H278-E280 PolarHBondContact ND1-N 3.14Å; H278-E280 PolarHBondContact O-N 3.12Å; H278-V281 HydrophobicContact CB-CG2 4.44Å; H278-V281 WeakPolarHBondContact O-CB 3.09Å; H278-V281 PolarHBondContact O-N 3.19Å; H278-L434 HydrophobicContact CB-CD1 3.66Å; H278-L434 HydrophobicContact CB-CD2 3.56Å; H278-L434 HydrophobicContact CB-CG 4.26Å
279	E	69.8	Low	82	Confident	82 Å²	82	38 Å²	38	38%	0.383	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-72.4	-30.2	-169.4	-44.7	-169.8	151	0	0	112.1	V281 I282 M299 R303	E279-V281 PolarHBondContact O-N 2.86Å; E279-I282 HydrophobicContact CB-CD1 4.31Å; E279-I282 VanDerWaalsContact O-CB 3.31Å; E279-I282 WeakPolarHBondContact O-CB 3.4Å; E279-I282 WeakPolarHBondContact O-CD1 3.44Å; E279-I282 WeakPolarHBondContact O-CG1 3.16Å; E279-I282 PolarHBondContact O-N 2.77Å; E279-I282 VanDerWaalsContact O-N 3.14Å; E279-M299 HydrophobicContact CB-CE 3.96Å; E279-M299 WeakPolarHBondContact O-CE 3.48Å; E279-R303 VanDerWaalsContact CD-CZ 3.44Å; E279-R303 IonicContact OE1-CZ 2.61Å; E279-R303 IonicContact OE1-NH1 2.82Å; E279-R303 PolarHBondContact OE1-NH1 2.91Å; E279-R303 IonicContact OE1-NH2 2.73Å; E279-R303 PolarHBondContact OE1-NH2 3.21Å; E279-R303 IonicContact OE2-NH2 3.93Å; E279-R303 PolarHBondContact OE2-NH2 3.18Å
280	E	69.3	Low	81.5	Confident	106 Å²	106	38.4 Å²	38.4	50%	0.495	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-66.8	-21.5	179.1	-64.3	-163	131.3	0	0	113.7	H278 I282 R283	H278-E280 VanDerWaalsContact C-N 3.35Å; H278-E280 IonicContact CE1-OE2 2.85Å; H278-E280 PolarHBondContact ND1-N 3.14Å; H278-E280 PolarHBondContact O-N 3.12Å; E280-I282 PolarHBondContact O-N 3.37Å; E280-R283 WeakPolarHBondContact O-CB 3.47Å; E280-R283 WeakPolarHBondContact O-CG 3.37Å; E280-R283 PolarHBondContact O-N 3.38Å; E280-R283 IonicContact OE1-CZ 3.47Å; E280-R283 IonicContact OE1-NH1 2.84Å; E280-R283 IonicContact OE1-NH2 3.47Å; E280-R283 PolarHBondContact OE1-NH2 3.34Å
281	V	74.4	Confident	80.4	Confident	21 Å²	21	42.8 Å²	42.8	13%	0.127	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-67.1	-16.5	176.6	171.6	0	0	0	0	112.3	A275 L276 H278 E279 R283 F537	A275-V281 VanDerWaalsContact O-CG2 3.28Å; A275-V281 WeakPolarHBondContact O-CG2 3.28Å; L276-V281 HydrophobicContact CD2-CG1 3.94Å; H278-V281 HydrophobicContact CB-CG2 4.44Å; H278-V281 WeakPolarHBondContact O-CB 3.09Å; H278-V281 PolarHBondContact O-N 3.19Å; E279-V281 PolarHBondContact O-N 2.86Å; V281-R283 VanDerWaalsContact C-N 3.26Å; V281-R283 PolarHBondContact O-N 3.16Å; V281-F537 HydrophobicContact CB-CE2 4.33Å; V281-F537 HydrophobicContact CB-CZ 4.47Å; V281-F537 HydrophobicContact CG1-CD2 3.95Å; V281-F537 HydrophobicContact CG1-CE1 4.17Å; V281-F537 HydrophobicContact CG1-CE2 3.24Å; V281-F537 HydrophobicContact CG1-CZ 3.37Å; V281-F537 HydrophobicContact CG2-CE2 4.23Å; V281-F537 HydrophobicContact CG2-CZ 4.26Å
282	I	70.3	Confident	79.3	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-75.9	-17.1	178.7	-57.1	154.4	0	0	0	111.3	E279 E280 D284 V285 I286 M299 L302 R303	E279-I282 HydrophobicContact CB-CD1 4.31Å; E279-I282 VanDerWaalsContact O-CB 3.31Å; E279-I282 WeakPolarHBondContact O-CB 3.4Å; E279-I282 WeakPolarHBondContact O-CD1 3.44Å; E279-I282 WeakPolarHBondContact O-CG1 3.16Å; E279-I282 PolarHBondContact O-N 2.77Å; E279-I282 VanDerWaalsContact O-N 3.14Å; E280-I282 PolarHBondContact O-N 3.37Å; I282-D284 PolarHBondContact O-N 3.35Å; I282-D284 VanDerWaalsContact O-N 3.16Å; I282-V285 HydrophobicContact CB-CG2 4.49Å; I282-V285 HydrophobicContact CG2-CG2 3.75Å; I282-V285 WeakPolarHBondContact O-CG2 3.44Å; I282-V285 PolarHBondContact O-N 3.5Å; I282-I286 PolarHBondContact O-N 3.42Å; I282-M299 HydrophobicContact CB-CE 4.14Å; I282-M299 HydrophobicContact CD1-CE 3.51Å; I282-M299 HydrophobicContact CD1-SD 4.43Å; I282-M299 HydrophobicContact CG1-CE 4.46Å; I282-M299 HydrophobicContact CG2-CE 4.46Å; I282-M299 HydrophobicContact CG2-SD 4.33Å; I282-L302 HydrophobicContact CG2-CB 3.31Å; I282-L302 HydrophobicContact CG2-CD1 4.03Å; I282-L302 HydrophobicContact CG2-CG 4.32Å; I282-R303 HydrophobicContact CD1-CB 4.4Å; I282-R303 HydrophobicContact CD1-CG 3.14Å; I282-R303 HydrophobicContact CG1-CG 3.92Å
283	R	69.4	Low	78.3	Confident	159 Å²	159	48.1 Å²	48.1	60%	0.6	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-57.1	-35.6	-177.2	-70.8	-176.5	-177.1	168.6	13.7	112.9	E280 V281 V285 I286	E280-R283 WeakPolarHBondContact O-CB 3.47Å; E280-R283 WeakPolarHBondContact O-CG 3.37Å; E280-R283 PolarHBondContact O-N 3.38Å; E280-R283 IonicContact OE1-CZ 3.47Å; E280-R283 IonicContact OE1-NH1 2.84Å; E280-R283 IonicContact OE1-NH2 3.47Å; E280-R283 PolarHBondContact OE1-NH2 3.34Å; V281-R283 VanDerWaalsContact C-N 3.26Å; V281-R283 PolarHBondContact O-N 3.16Å; R283-V285 PolarHBondContact O-N 3.04Å; R283-I286 HydrophobicContact CB-CD1 4.33Å; R283-I286 HydrophobicContact CG-CD1 4.35Å; R283-I286 PolarHBondContact O-N 3.09Å
284	D	66.6	Low	77.5	Confident	134 Å²	134	51.4 Å²	51.4	72%	0.717	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-71.7	-8.5	-179.8	-68	-17.5	0	0	0	113.8	I282	I282-D284 PolarHBondContact O-N 3.35Å; I282-D284 VanDerWaalsContact O-N 3.16Å
285	V	72.5	Confident	77.1	Confident	6 Å²	6	53.9 Å²	53.9	4%	0.036	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-114.5	2.3	-178.9	-47.6	0	0	0	0	113.8	I282 R283 P287 L302 N306 R309	I282-V285 HydrophobicContact CB-CG2 4.49Å; I282-V285 HydrophobicContact CG2-CG2 3.75Å; I282-V285 WeakPolarHBondContact O-CG2 3.44Å; I282-V285 PolarHBondContact O-N 3.5Å; R283-V285 PolarHBondContact O-N 3.04Å; V285-P287 WeakPolarHBondContact O-CD 3.45Å; V285-L302 HydrophobicContact CG2-CB 4.42Å; V285-N306 HydrophobicContact CG1-CB 4.32Å; V285-N306 WeakPolarHBondContact CG1-OD1 3.29Å; V285-N306 HydrophobicContact CG2-CB 4Å; V285-R309 VanDerWaalsContact CG1-CZ 3.44Å
286	I	80.7	Confident	76.8	Confident	55 Å²	55	59.6 Å²	59.6	28%	0.282	31%	0.31	S	S	.	.			trans	-63.7	118.8	177	-64.2	166.1	0	0	0	108.5	I282 R283 L290 I294 L302	I282-I286 PolarHBondContact O-N 3.42Å; R283-I286 HydrophobicContact CB-CD1 4.33Å; R283-I286 HydrophobicContact CG-CD1 4.35Å; R283-I286 PolarHBondContact O-N 3.09Å; I286-L290 HydrophobicContact CG2-CB 4.3Å; I286-L290 HydrophobicContact CG2-CD2 4.29Å; I286-I294 HydrophobicContact CD1-CD1 3.4Å; I286-I294 HydrophobicContact CG1-CD1 3.95Å; I286-I294 HydrophobicContact CG2-CD1 4.14Å; I286-L302 HydrophobicContact CG1-CD1 3.88Å
287	P	83.9	Confident	76.7	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.013	31%	0.314	C	S	.	.			trans	-66.1	143.4	178.2	-23.4	36	0	0	0	111.5	V285 W289 L290 L302 V339	V285-P287 WeakPolarHBondContact O-CD 3.45Å; P287-W289 VanDerWaalsContact CB-CD1 3.43Å; P287-W289 HydrophobicContact CB-CD2 4.33Å; P287-W289 HydrophobicContact CB-CG 4.14Å; P287-W289 HydrophobicContact CB-CZ2 4.32Å; P287-W289 HydrophobicContact CG-CZ2 4.27Å; P287-W289 PolarHBondContact O-N 3.33Å; P287-L290 WeakPolarHBondContact O-CB 3.3Å; P287-L290 PolarHBondContact O-N 3.38Å; P287-L302 HydrophobicContact CG-CD2 4.38Å; P287-V339 HydrophobicContact CG-CG1 3.58Å
288	P	84.6	Confident	76.7	Confident	126 Å²	126	60.2 Å²	60.2	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.7	-178.4	-25.8	34.2	0	0	0	115.1
289	W	85.2	Confident	76.9	Confident	18 Å²	18	58.9 Å²	58.9	7%	0.068	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.5	178.8	64.3	-101.5	0	0	0	113.1	P287 N291 V339 N342 E343 L347	P287-W289 VanDerWaalsContact CB-CD1 3.43Å; P287-W289 HydrophobicContact CB-CD2 4.33Å; P287-W289 HydrophobicContact CB-CG 4.14Å; P287-W289 HydrophobicContact CB-CZ2 4.32Å; P287-W289 HydrophobicContact CG-CZ2 4.27Å; P287-W289 PolarHBondContact O-N 3.33Å; W289-N291 VanDerWaalsContact C-N 3.27Å; W289-N291 PolarHBondContact O-N 3.03Å; W289-N291 PolarHBondContact O-OD1 3.31Å; W289-V339 WeakPolarHBondContact CZ2-O 3.35Å; W289-V339 PolarHBondContact NE1-O 2.85Å; W289-N342 HydrophobicContact CB-CB 3.9Å; W289-N342 WeakPolarHBondContact CB-OD1 3.33Å; W289-N342 HydrophobicContact CG-CB 4.29Å; W289-E343 HydrophobicContact CZ3-CB 4.43Å; W289-L347 HydrophobicContact CE3-CD1 4.25Å; W289-L347 HydrophobicContact CH2-CD1 4.36Å; W289-L347 HydrophobicContact CZ3-CD1 3.48Å; W289-L347 VanDerWaalsContact CZ3-CD1 3.48Å; W289-L347 HydrophobicContact CZ3-CG 4.29Å
290	L	83.4	Confident	77.7	Confident	14 Å²	14	58.5 Å²	58.5	7%	0.073	31%	0.306	C	S	.	.			trans	-79.2	78.5	179.2	-171.5	65.2	0	0	0	109.3	I286 P287 V292 I294 L302 L347 F359	I286-L290 HydrophobicContact CG2-CB 4.3Å; I286-L290 HydrophobicContact CG2-CD2 4.29Å; P287-L290 WeakPolarHBondContact O-CB 3.3Å; P287-L290 PolarHBondContact O-N 3.38Å; L290-V292 HydrophobicContact CD1-CG2 3.74Å; L290-V292 HydrophobicContact CG-CG2 4.48Å; L290-I294 HydrophobicContact CD2-CG1 4.43Å; L290-L302 HydrophobicContact CD2-CD1 3.91Å; L290-L347 HydrophobicContact CD1-CD1 3.6Å; L290-F359 HydrophobicContact CD1-CE1 4.35Å; L290-F359 HydrophobicContact CD1-CZ 3.7Å
291	N	73.9	Confident	78.6	Confident	92 Å²	92	53.6 Å²	53.6	49%	0.492	28%	0.283	S	S	.	.			trans	-94.2	3.7	-176.1	67.1	-22.2	0	0	0	113.8	W289 E348	W289-N291 VanDerWaalsContact C-N 3.27Å; W289-N291 PolarHBondContact O-N 3.03Å; W289-N291 PolarHBondContact O-OD1 3.31Å; N291-E348 PolarHBondContact ND2-OE1 3Å
292	V	70.6	Confident	79.3	Confident	16 Å²	16	52.6 Å²	52.6	10%	0.097	28%	0.277	C	S	.	.	S	Bend	trans	-88.3	156.7	176.3	-63.4	0	0	0	0	111.1	L290 I294 L347	L290-V292 HydrophobicContact CD1-CG2 3.74Å; L290-V292 HydrophobicContact CG-CG2 4.48Å; V292-I294 PolarHBondContact O-N 3.16Å; V292-L347 HydrophobicContact CG1-CB 3.98Å; V292-L347 HydrophobicContact CG1-CD1 4.47Å; V292-L347 HydrophobicContact CG2-CD1 3.93Å
293	P	76.5	Confident	80.2	Confident	102 Å²	102	53.7 Å²	53.7	66%	0.662	28%	0.281	S	S	*	.			trans	-53.5	131.4	171.1	-25.1	34.5	0	0	0	110.9	D295	P293-D295 PolarHBondContact O-N 2.98Å
294	I	75.7	Confident	81.2	Confident	70 Å²	70	46.2 Å²	46.2	36%	0.359	25%	0.254	S	S	.	.			trans	-82.8	109.6	-179.8	-64.6	176.8	0	0	0	107.9	I286 L290 V292 S298 M299	I286-I294 HydrophobicContact CD1-CD1 3.4Å; I286-I294 HydrophobicContact CG1-CD1 3.95Å; I286-I294 HydrophobicContact CG2-CD1 4.14Å; L290-I294 HydrophobicContact CD2-CG1 4.43Å; V292-I294 PolarHBondContact O-N 3.16Å; I294-S298 WeakPolarHBondContact CA-OG 3.37Å; I294-M299 HydrophobicContact CG2-CG 3.33Å; I294-M299 HydrophobicContact CG2-SD 3.3Å; I294-M299 WeakPolarHBondContact CG2-SD 3.31Å
295	D	79.6	Confident	82.5	Confident	52 Å²	52	40.2 Å²	40.2	28%	0.278	22%	0.221	S	C	.	.			trans	-95.7	175	173.6	60.5	27.9	0	0	0	111.8	P293 V297 S298 M299	P293-D295 PolarHBondContact O-N 2.98Å; D295-V297 PolarHBondContact O-N 3.18Å; D295-V297 VanDerWaalsContact O-N 3.15Å; D295-V297 PolarHBondContact OD1-N 2.95Å; D295-S298 PolarHBondContact N-OG 2.74Å; D295-S298 PolarHBondContact O-N 2.87Å; D295-S298 PolarHBondContact O-OG 3.2Å; D295-S298 WeakPolarHBondContact OD1-CB 3.36Å; D295-S298 PolarHBondContact OD1-N 3.49Å; D295-S298 PolarHBondContact OD1-OG 3.08Å; D295-M299 WeakPolarHBondContact O-CG 3.42Å; D295-M299 PolarHBondContact O-N 3.41Å
296	D	81.6	Confident	83.3	Confident	135 Å²	135	40.1 Å²	40.1	72%	0.722	22%	0.22	S	C	*	.	H	α-helix	trans	-57	-33.2	-176.5	-62.7	-20.4	0	0	0	113.4	M299 E300	D296-M299 WeakPolarHBondContact O-CB 3.38Å; D296-E300 PolarHBondContact O-N 3.21Å
297	V	81.6	Confident	83.8	Confident	16 Å²	16	37.6 Å²	37.6	10%	0.097	21%	0.207	C	C	.	.	H	α-helix	trans	-83.5	-38.4	-174.9	-179.6	0	0	0	0	111.8	D295 M299 E300 Y301 K356 F359 Q360	D295-V297 PolarHBondContact O-N 3.18Å; D295-V297 VanDerWaalsContact O-N 3.15Å; D295-V297 PolarHBondContact OD1-N 2.95Å; V297-M299 PolarHBondContact O-N 2.76Å; V297-E300 WeakPolarHBondContact O-CB 3.32Å; V297-E300 PolarHBondContact O-N 3.26Å; V297-Y301 PolarHBondContact O-N 3.26Å; V297-K356 HydrophobicContact CB-CG 3.99Å; V297-K356 HydrophobicContact CG1-CG 4.01Å; V297-K356 WeakPolarHBondContact CG1-O 3.23Å; V297-K356 HydrophobicContact CG2-CD 4.15Å; V297-K356 HydrophobicContact CG2-CG 3.59Å; V297-F359 HydrophobicContact CG1-CB 3.78Å; V297-Q360 HydrophobicContact CG1-CG 3.58Å
298	S	81.9	Confident	84.3	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-34.7	168.1	62	0	0	0	0	111.4	I294 D295 Y301 L302	I294-S298 WeakPolarHBondContact CA-OG 3.37Å; D295-S298 PolarHBondContact N-OG 2.74Å; D295-S298 PolarHBondContact O-N 2.87Å; D295-S298 PolarHBondContact O-OG 3.2Å; D295-S298 WeakPolarHBondContact OD1-CB 3.36Å; D295-S298 PolarHBondContact OD1-N 3.49Å; D295-S298 PolarHBondContact OD1-OG 3.08Å; S298-Y301 PolarHBondContact O-N 3.45Å; S298-L302 WeakPolarHBondContact O-CG 3.11Å; S298-L302 PolarHBondContact O-N 2.67Å; S298-L302 VanDerWaalsContact O-N 3.08Å
299	M	83.4	Confident	84.6	Confident	27 Å²	27	34.6 Å²	34.6	13%	0.133	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-43.5	170.6	-74.9	-64.1	-80.5	0	0	112.5	E279 I282 I294 D295 D296 V297 Y301 L302 R303	E279-M299 HydrophobicContact CB-CE 3.96Å; E279-M299 WeakPolarHBondContact O-CE 3.48Å; I282-M299 HydrophobicContact CB-CE 4.14Å; I282-M299 HydrophobicContact CD1-CE 3.51Å; I282-M299 HydrophobicContact CD1-SD 4.43Å; I282-M299 HydrophobicContact CG1-CE 4.46Å; I282-M299 HydrophobicContact CG2-CE 4.46Å; I282-M299 HydrophobicContact CG2-SD 4.33Å; I294-M299 HydrophobicContact CG2-CG 3.33Å; I294-M299 HydrophobicContact CG2-SD 3.3Å; I294-M299 WeakPolarHBondContact CG2-SD 3.31Å; D295-M299 WeakPolarHBondContact O-CG 3.42Å; D295-M299 PolarHBondContact O-N 3.41Å; D296-M299 WeakPolarHBondContact O-CB 3.38Å; V297-M299 PolarHBondContact O-N 2.76Å; M299-Y301 VanDerWaalsContact C-N 3.34Å; M299-Y301 PolarHBondContact O-N 3.47Å; M299-L302 PolarHBondContact O-N 2.86Å; M299-R303 VanDerWaalsContact O-CG 3.29Å; M299-R303 WeakPolarHBondContact O-CG 3.46Å; M299-R303 PolarHBondContact O-N 3Å
300	E	86.6	Confident	84.9	Confident	74 Å²	74	34 Å²	34	35%	0.346	18%	0.178	S	C	.	.	H	α-helix	trans	-58	-46.3	175.1	-171.3	-171.7	155.9	0	0	111.5	D296 V297 L302 R303 V304	D296-E300 PolarHBondContact O-N 3.21Å; V297-E300 WeakPolarHBondContact O-CB 3.32Å; V297-E300 PolarHBondContact O-N 3.26Å; E300-L302 PolarHBondContact O-N 3.45Å; E300-R303 WeakPolarHBondContact O-CB 3.44Å; E300-R303 PolarHBondContact O-N 2.95Å; E300-R303 VanDerWaalsContact O-N 3.15Å; E300-V304 WeakPolarHBondContact O-CG2 3.28Å; E300-V304 PolarHBondContact O-N 2.8Å
301	Y	88.7	Confident	85.3	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-47	175.5	169.2	-115	0	0	0	112.7	V297 S298 M299 R303 V304 Y305 V339 F359 R362 S363 L366	V297-Y301 PolarHBondContact O-N 3.26Å; S298-Y301 PolarHBondContact O-N 3.45Å; M299-Y301 VanDerWaalsContact C-N 3.34Å; M299-Y301 PolarHBondContact O-N 3.47Å; Y301-R303 VanDerWaalsContact C-N 3.32Å; Y301-R303 PolarHBondContact O-N 3.32Å; Y301-V304 PolarHBondContact O-N 2.92Å; Y301-Y305 PolarHBondContact O-N 2.97Å; Y301-Y305 VanDerWaalsContact O-N 3.12Å; Y301-V339 HydrophobicContact CE1-CG2 4.49Å; Y301-V339 HydrophobicContact CE2-CG2 4.45Å; Y301-V339 WeakPolarHBondContact OH-CA 3.42Å; Y301-V339 VanDerWaalsContact OH-CG2 3.24Å; Y301-V339 WeakPolarHBondContact OH-CG2 3.37Å; Y301-F359 AromaticContact CD1-CD1 3.64Å; Y301-F359 HydrophobicContact CD1-CD1 3.64Å; Y301-F359 AromaticContact CD1-CE1 3.86Å; Y301-F359 HydrophobicContact CD1-CE1 3.86Å; Y301-F359 HydrophobicContact CE1-CD1 4.31Å; Y301-F359 HydrophobicContact CE1-CE1 4.27Å; Y301-F359 AromaticContact CG-CD1 3.91Å; Y301-F359 HydrophobicContact CG-CD1 3.91Å; Y301-R362 HydrophobicContact CD2-CB 3.65Å; Y301-R362 HydrophobicContact CE2-CB 3.43Å; Y301-R362 VanDerWaalsContact CE2-CB 3.43Å; Y301-R362 HydrophobicContact CE2-CG 4.45Å; Y301-R362 HydrophobicContact CG-CB 4.44Å; Y301-S363 VanDerWaalsContact CA-OG 3.23Å; Y301-S363 WeakPolarHBondContact CA-OG 3.04Å; Y301-S363 WeakPolarHBondContact CB-OG 3.18Å; Y301-L366 HydrophobicContact CD2-CD1 3.79Å; Y301-L366 HydrophobicContact CE2-CD1 3.35Å; Y301-L366 HydrophobicContact CE2-CG 3.96Å
302	L	88.6	Confident	86.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.4	-30.6	178.1	-65.3	175.8	0	0	0	112.5	I282 V285 I286 P287 L290 S298 M299 E300 N306	I282-L302 HydrophobicContact CG2-CB 3.31Å; I282-L302 HydrophobicContact CG2-CD1 4.03Å; I282-L302 HydrophobicContact CG2-CG 4.32Å; V285-L302 HydrophobicContact CG2-CB 4.42Å; I286-L302 HydrophobicContact CG1-CD1 3.88Å; P287-L302 HydrophobicContact CG-CD2 4.38Å; L290-L302 HydrophobicContact CD2-CD1 3.91Å; S298-L302 WeakPolarHBondContact O-CG 3.11Å; S298-L302 PolarHBondContact O-N 2.67Å; S298-L302 VanDerWaalsContact O-N 3.08Å; M299-L302 PolarHBondContact O-N 2.86Å; E300-L302 PolarHBondContact O-N 3.45Å; L302-N306 VanDerWaalsContact O-CB 3.24Å; L302-N306 WeakPolarHBondContact O-CB 3.43Å; L302-N306 PolarHBondContact O-N 3.28Å
303	R	88.8	Confident	87.3	Confident	25 Å²	25	31.2 Å²	31.2	9%	0.094	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-50.8	171.2	-75.5	167.6	-149.7	-164.4	6.2	111.3	E279 I282 M299 E300 Y301 Y305 N306 V307 W400	E279-R303 VanDerWaalsContact CD-CZ 3.44Å; E279-R303 IonicContact OE1-CZ 2.61Å; E279-R303 IonicContact OE1-NH1 2.82Å; E279-R303 PolarHBondContact OE1-NH1 2.91Å; E279-R303 IonicContact OE1-NH2 2.73Å; E279-R303 PolarHBondContact OE1-NH2 3.21Å; E279-R303 IonicContact OE2-NH2 3.93Å; E279-R303 PolarHBondContact OE2-NH2 3.18Å; I282-R303 HydrophobicContact CD1-CB 4.4Å; I282-R303 HydrophobicContact CD1-CG 3.14Å; I282-R303 HydrophobicContact CG1-CG 3.92Å; M299-R303 VanDerWaalsContact O-CG 3.29Å; M299-R303 WeakPolarHBondContact O-CG 3.46Å; M299-R303 PolarHBondContact O-N 3Å; E300-R303 WeakPolarHBondContact O-CB 3.44Å; E300-R303 PolarHBondContact O-N 2.95Å; E300-R303 VanDerWaalsContact O-N 3.15Å; Y301-R303 VanDerWaalsContact C-N 3.32Å; Y301-R303 PolarHBondContact O-N 3.32Å; R303-Y305 VanDerWaalsContact C-N 3.32Å; R303-Y305 PolarHBondContact O-N 3.42Å; R303-N306 PolarHBondContact O-N 2.97Å; R303-V307 WeakPolarHBondContact O-CG2 3.27Å; R303-V307 PolarHBondContact O-N 3.19Å; R303-W400 HydrophobicContact CB-CE3 4.35Å; R303-W400 HydrophobicContact CB-CH2 3.78Å; R303-W400 HydrophobicContact CB-CZ2 4.27Å; R303-W400 HydrophobicContact CB-CZ3 3.81Å; R303-W400 HydrophobicContact CG-CH2 3.86Å; R303-W400 HydrophobicContact CG-CZ2 3.88Å; R303-W400 HydrophobicContact CG-CZ3 4.32Å
304	V	91.6	Very high	88	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-54.8	-52.3	179.4	172.7	0	0	0	0	109.4	E300 Y301 N306 V307 L308 L366 M367 I397	E300-V304 WeakPolarHBondContact O-CG2 3.28Å; E300-V304 PolarHBondContact O-N 2.8Å; Y301-V304 PolarHBondContact O-N 2.92Å; V304-N306 PolarHBondContact O-N 3.38Å; V304-V307 PolarHBondContact O-N 3.43Å; V304-L308 HydrophobicContact CG1-CD1 3.85Å; V304-L308 HydrophobicContact CG1-CG 4.47Å; V304-L308 WeakPolarHBondContact O-CB 3.45Å; V304-L308 VanDerWaalsContact O-CG 3.26Å; V304-L308 WeakPolarHBondContact O-CG 3.12Å; V304-L308 PolarHBondContact O-N 2.93Å; V304-L366 HydrophobicContact CB-CD1 4.46Å; V304-L366 HydrophobicContact CG1-CB 4.13Å; V304-L366 HydrophobicContact CG1-CD1 4.01Å; V304-M367 HydrophobicContact CG1-CG 4.17Å; V304-M367 HydrophobicContact CG1-SD 3.59Å; V304-M367 VanDerWaalsContact CG1-SD 3.59Å; V304-I397 HydrophobicContact CB-CG2 4.21Å; V304-I397 HydrophobicContact CG1-CG2 4.25Å; V304-I397 HydrophobicContact CG2-CG2 3.72Å
305	Y	92.4	Very high	88.9	Confident	7 Å²	7	23.7 Å²	23.7	3%	0.027	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-48.3	177.7	174.4	-119.9	0	0	0	112.7	Y301 R303 V307 L308 R309 L335 V339	Y301-Y305 PolarHBondContact O-N 2.97Å; Y301-Y305 VanDerWaalsContact O-N 3.12Å; R303-Y305 VanDerWaalsContact C-N 3.32Å; R303-Y305 PolarHBondContact O-N 3.42Å; Y305-V307 PolarHBondContact O-N 3.24Å; Y305-L308 PolarHBondContact O-N 3.02Å; Y305-R309 HydrophobicContact CE2-CB 4.48Å; Y305-R309 VanDerWaalsContact O-CB 3.25Å; Y305-R309 WeakPolarHBondContact O-CB 3.43Å; Y305-R309 PolarHBondContact O-N 3.17Å; Y305-L335 HydrophobicContact CD2-CB 4.24Å; Y305-L335 HydrophobicContact CE2-CB 4.01Å; Y305-V339 HydrophobicContact CD1-CB 4.38Å; Y305-V339 HydrophobicContact CD1-CG1 3.9Å; Y305-V339 HydrophobicContact CD1-CG2 4.09Å; Y305-V339 HydrophobicContact CD2-CB 4.36Å; Y305-V339 HydrophobicContact CD2-CG2 3.56Å; Y305-V339 HydrophobicContact CE1-CB 4.36Å; Y305-V339 HydrophobicContact CE1-CG1 3.98Å; Y305-V339 HydrophobicContact CE1-CG2 4.46Å; Y305-V339 HydrophobicContact CE2-CB 4.32Å; Y305-V339 HydrophobicContact CE2-CG2 3.95Å; Y305-V339 HydrophobicContact CG-CB 4.37Å; Y305-V339 HydrophobicContact CG-CG1 4.27Å; Y305-V339 HydrophobicContact CG-CG2 3.62Å
306	N	90.4	Very high	89.5	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-45	-177.3	-170.4	30.3	0	0	0	111.8	V285 L302 R303 V304 R309 N310	V285-N306 HydrophobicContact CG1-CB 4.32Å; V285-N306 WeakPolarHBondContact CG1-OD1 3.29Å; V285-N306 HydrophobicContact CG2-CB 4Å; L302-N306 VanDerWaalsContact O-CB 3.24Å; L302-N306 WeakPolarHBondContact O-CB 3.43Å; L302-N306 PolarHBondContact O-N 3.28Å; R303-N306 PolarHBondContact O-N 2.97Å; V304-N306 PolarHBondContact O-N 3.38Å; N306-R309 PolarHBondContact OD1-NH2 3.35Å; N306-N310 PolarHBondContact O-N 2.86Å; N306-N310 PolarHBondContact O-ND2 2.79Å; N306-N310 PolarHBondContact OD1-ND2 2.95Å
307	V	91.3	Very high	90	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-51.1	178.3	171.5	0	0	0	0	110.4	R303 V304 Y305 R309 N310 L311 I397 W400 W402	R303-V307 WeakPolarHBondContact O-CG2 3.27Å; R303-V307 PolarHBondContact O-N 3.19Å; V304-V307 PolarHBondContact O-N 3.43Å; Y305-V307 PolarHBondContact O-N 3.24Å; V307-R309 VanDerWaalsContact C-N 3.29Å; V307-R309 PolarHBondContact O-N 3.39Å; V307-N310 PolarHBondContact O-N 3.46Å; V307-L311 HydrophobicContact CG1-CD1 3.58Å; V307-L311 HydrophobicContact CG1-CG 3.97Å; V307-L311 WeakPolarHBondContact O-CB 3.47Å; V307-L311 VanDerWaalsContact O-CG 3.24Å; V307-L311 WeakPolarHBondContact O-CG 3.42Å; V307-L311 PolarHBondContact O-N 3.41Å; V307-I397 HydrophobicContact CB-CD1 4.46Å; V307-I397 HydrophobicContact CG1-CD1 3.88Å; V307-I397 HydrophobicContact CG1-CG1 3.92Å; V307-W400 HydrophobicContact CG2-CH2 3.63Å; V307-W400 HydrophobicContact CG2-CZ3 3.54Å; V307-W402 HydrophobicContact CG2-CZ2 4.41Å
308	L	93.4	Very high	90.4	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-55.2	-46.4	178.4	-71.5	175.3	0	0	0	111.7	V304 Y305 N310 L311 I312 L335 L366 M367 V370 L394 I397	V304-L308 HydrophobicContact CG1-CD1 3.85Å; V304-L308 HydrophobicContact CG1-CG 4.47Å; V304-L308 WeakPolarHBondContact O-CB 3.45Å; V304-L308 VanDerWaalsContact O-CG 3.26Å; V304-L308 WeakPolarHBondContact O-CG 3.12Å; V304-L308 PolarHBondContact O-N 2.93Å; Y305-L308 PolarHBondContact O-N 3.02Å; L308-N310 PolarHBondContact O-N 2.89Å; L308-L311 PolarHBondContact O-N 3.11Å; L308-I312 WeakPolarHBondContact O-CB 3.44Å; L308-I312 WeakPolarHBondContact O-CD1 3.35Å; L308-I312 WeakPolarHBondContact O-CG1 3.49Å; L308-I312 PolarHBondContact O-N 3.44Å; L308-L335 HydrophobicContact CB-CD1 3.95Å; L308-L335 HydrophobicContact CD1-CD1 4.28Å; L308-L366 HydrophobicContact CD1-CB 4.15Å; L308-M367 HydrophobicContact CD1-SD 4.07Å; L308-V370 HydrophobicContact CD1-CG2 3.97Å; L308-V370 HydrophobicContact CD2-CG2 4.02Å; L308-L394 HydrophobicContact CD2-CD2 4.09Å; L308-I397 HydrophobicContact CD2-CD1 3.56Å; L308-I397 HydrophobicContact CG-CD1 3.94Å
309	R	92.4	Very high	90.9	Very high	57 Å²	57	18.1 Å²	18.1	22%	0.215	9%	0.093	C	C	.	.	H	α-helix	trans	-57.7	-51.1	177.8	-176	-169.9	69.4	-175.8	1.9	111.8	V285 Y305 N306 V307 I312 T313	V285-R309 VanDerWaalsContact CG1-CZ 3.44Å; Y305-R309 HydrophobicContact CE2-CB 4.48Å; Y305-R309 VanDerWaalsContact O-CB 3.25Å; Y305-R309 WeakPolarHBondContact O-CB 3.43Å; Y305-R309 PolarHBondContact O-N 3.17Å; N306-R309 PolarHBondContact OD1-NH2 3.35Å; V307-R309 VanDerWaalsContact C-N 3.29Å; V307-R309 PolarHBondContact O-N 3.39Å; R309-I312 PolarHBondContact O-N 3.22Å; R309-T313 PolarHBondContact O-N 3.11Å; R309-T313 VanDerWaalsContact O-N 3.07Å; R309-T313 PolarHBondContact O-OG1 3.3Å
310	N	90.9	Very high	91.2	Very high	7 Å²	7	23 Å²	23	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-40.6	-179.4	-79.3	-81.8	0	0	0	111.9	W176 L276 N306 V307 L308 T313 L314	W176-N310 HydrophobicContact CZ3-CB 4.19Å; L276-N310 HydrophobicContact CD1-CB 4.1Å; N306-N310 PolarHBondContact O-N 2.86Å; N306-N310 PolarHBondContact O-ND2 2.79Å; N306-N310 PolarHBondContact OD1-ND2 2.95Å; V307-N310 PolarHBondContact O-N 3.46Å; L308-N310 PolarHBondContact O-N 2.89Å; N310-T313 PolarHBondContact O-N 2.67Å; N310-L314 WeakPolarHBondContact O-CG 3.46Å; N310-L314 PolarHBondContact O-N 2.82Å
311	L	91.8	Very high	91.5	Very high	16 Å²	16	23.2 Å²	23.2	8%	0.084	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-40.5	178.3	-67	-178.1	0	0	0	112.1	I175 L179 V307 L308 T313 L314 T315 V393	I175-L311 HydrophobicContact CG2-CD1 4.15Å; I175-L311 HydrophobicContact CG2-CD2 3.6Å; L179-L311 HydrophobicContact CD1-CD2 3.57Å; V307-L311 HydrophobicContact CG1-CD1 3.58Å; V307-L311 HydrophobicContact CG1-CG 3.97Å; V307-L311 WeakPolarHBondContact O-CB 3.47Å; V307-L311 VanDerWaalsContact O-CG 3.24Å; V307-L311 WeakPolarHBondContact O-CG 3.42Å; V307-L311 PolarHBondContact O-N 3.41Å; L308-L311 PolarHBondContact O-N 3.11Å; L311-T313 VanDerWaalsContact C-N 3.35Å; L311-L314 PolarHBondContact O-N 2.88Å; L311-T315 VanDerWaalsContact O-CB 3.27Å; L311-T315 WeakPolarHBondContact O-CB 3.3Å; L311-T315 PolarHBondContact O-N 3.12Å; L311-T315 PolarHBondContact O-OG1 3.46Å; L311-V393 HydrophobicContact CD1-CG1 3.46Å; L311-V393 VanDerWaalsContact CD1-CG1 3.46Å; L311-V393 HydrophobicContact CD1-CG2 4.34Å
312	I	94.4	Very high	91.8	Very high	11 Å²	11	27.7 Å²	27.7	6%	0.056	15%	0.149	C	C	.	.	H	α-helix	trans	-59.7	-49.1	173.3	-70.2	161.7	0	0	0	109.7	L308 R309 L314 T315 S316 L328 L331 Q332 L335	L308-I312 WeakPolarHBondContact O-CB 3.44Å; L308-I312 WeakPolarHBondContact O-CD1 3.35Å; L308-I312 WeakPolarHBondContact O-CG1 3.49Å; L308-I312 PolarHBondContact O-N 3.44Å; R309-I312 PolarHBondContact O-N 3.22Å; I312-L314 PolarHBondContact O-N 3.23Å; I312-T315 PolarHBondContact O-N 3.32Å; I312-S316 PolarHBondContact O-N 3.08Å; I312-S316 PolarHBondContact O-OG 2.93Å; I312-S316 VanDerWaalsContact O-OG 3.08Å; I312-L328 HydrophobicContact CG2-CB 4.28Å; I312-L328 HydrophobicContact CG2-CD2 4.23Å; I312-L331 HydrophobicContact CD1-CD2 3.5Å; I312-L331 HydrophobicContact CD1-CG 3.74Å; I312-L331 HydrophobicContact CG1-CD2 3.85Å; I312-Q332 HydrophobicContact CG2-CB 4.25Å; I312-L335 HydrophobicContact CD1-CD1 3.48Å; I312-L335 VanDerWaalsContact CD1-CD1 3.48Å
313	T	92.4	Very high	92.1	Very high	35 Å²	35	31.7 Å²	31.7	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-42.1	-178.7	-59	0	0	0	0	112.9	R309 N310 L311 S317 L539	R309-T313 PolarHBondContact O-N 3.11Å; R309-T313 VanDerWaalsContact O-N 3.07Å; R309-T313 PolarHBondContact O-OG1 3.3Å; N310-T313 PolarHBondContact O-N 2.67Å; L311-T313 VanDerWaalsContact C-N 3.35Å; T313-S317 PolarHBondContact O-N 3.33Å; T313-L539 WeakPolarHBondContact CG2-O 3.49Å
314	L	91.4	Very high	92.4	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-71.6	-35	175.3	-66	175.2	0	0	0	112.7	W176 L179 T180 I184 N310 L311 I312 S316 S317	W176-L314 HydrophobicContact CE3-CD1 3.76Å; W176-L314 HydrophobicContact CH2-CD1 4.06Å; W176-L314 HydrophobicContact CZ3-CD1 3.34Å; L179-L314 HydrophobicContact CB-CB 3.89Å; L179-L314 HydrophobicContact CB-CD1 3.88Å; L179-L314 HydrophobicContact CD1-CB 4.39Å; T180-L314 HydrophobicContact CG2-CD1 3.93Å; I184-L314 HydrophobicContact CD1-CD2 3.87Å; I184-L314 HydrophobicContact CG1-CD2 3.81Å; N310-L314 WeakPolarHBondContact O-CG 3.46Å; N310-L314 PolarHBondContact O-N 2.82Å; L311-L314 PolarHBondContact O-N 2.88Å; I312-L314 PolarHBondContact O-N 3.23Å; L314-S316 VanDerWaalsContact C-N 3.35Å; L314-S317 PolarHBondContact O-N 3.48Å; L314-S317 PolarHBondContact O-OG 2.9Å
315	T	93.1	Very high	92.6	Very high	13 Å²	13	32.9 Å²	32.9	8%	0.08	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-45	174.7	-58.7	0	0	0	0	110.1	L154 L311 I312 S317 T318 I319 L328 L389	L154-T315 HydrophobicContact CD1-CG2 4.06Å; L154-T315 HydrophobicContact CD2-CG2 4.06Å; L311-T315 VanDerWaalsContact O-CB 3.27Å; L311-T315 WeakPolarHBondContact O-CB 3.3Å; L311-T315 PolarHBondContact O-N 3.12Å; L311-T315 PolarHBondContact O-OG1 3.46Å; I312-T315 PolarHBondContact O-N 3.32Å; T315-S317 PolarHBondContact O-N 2.86Å; T315-T318 PolarHBondContact O-N 3.45Å; T315-T318 PolarHBondContact O-OG1 3.43Å; T315-I319 HydrophobicContact CG2-CD1 4.01Å; T315-L328 HydrophobicContact CG2-CD1 4.23Å; T315-L389 HydrophobicContact CG2-CD1 4.43Å
316	S	93.4	Very high	92.8	Very high	25 Å²	25	34.8 Å²	34.8	18%	0.175	20%	0.196	C	C	.	.	H	α-helix	trans	-56.1	-32.9	175.2	-62.1	0	0	0	0	112.6	I312 L314 T318 I319 L325 L328	I312-S316 PolarHBondContact O-N 3.08Å; I312-S316 PolarHBondContact O-OG 2.93Å; I312-S316 VanDerWaalsContact O-OG 3.08Å; L314-S316 VanDerWaalsContact C-N 3.35Å; S316-T318 PolarHBondContact O-N 2.92Å; S316-I319 PolarHBondContact O-N 3.28Å; S316-L325 VanDerWaalsContact O-CD2 3.28Å; S316-L325 WeakPolarHBondContact O-CD2 3.45Å; S316-L328 WeakPolarHBondContact OG-CD1 3.35Å
317	S	90.7	Very high	93.1	Very high	36 Å²	36	36.6 Å²	36.6	25%	0.252	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.8	-179.7	80.9	0	0	0	0	114.6	G183 T313 L314 T315	G183-S317 WeakPolarHBondContact CA-OG 3.39Å; G183-S317 PolarHBondContact O-OG 2.49Å; T313-S317 PolarHBondContact O-N 3.33Å; L314-S317 PolarHBondContact O-N 3.48Å; L314-S317 PolarHBondContact O-OG 2.9Å; T315-S317 PolarHBondContact O-N 2.86Å
318	T	91.1	Very high	93.3	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	9.5	175.7	64.1	0	0	0	0	113.1	V152 L154 A182 T315 S316	V152-T318 WeakPolarHBondContact O-CB 3.3Å; L154-T318 WeakPolarHBondContact CD1-OG1 3.31Å; L154-T318 PolarHBondContact N-O 3.37Å; A182-T318 HydrophobicContact CB-CG2 3.9Å; T315-T318 PolarHBondContact O-N 3.45Å; T315-T318 PolarHBondContact O-OG1 3.43Å; S316-T318 PolarHBondContact O-N 2.92Å
319	I	92.3	Very high	93.5	Very high	22 Å²	22	42.4 Å²	42.4	11%	0.113	23%	0.231	C	C	.	.			trans	-123.5	134.5	-175.2	-65.2	166.1	0	0	0	109.8	L154 T315 S316 D321 A324 L325 L328 F382	L154-I319 HydrophobicContact CB-CG1 4.21Å; L154-I319 HydrophobicContact CD2-CD1 3.99Å; L154-I319 HydrophobicContact CD2-CG1 4.04Å; T315-I319 HydrophobicContact CG2-CD1 4.01Å; S316-I319 PolarHBondContact O-N 3.28Å; I319-D321 HydrophobicContact CG2-CB 4.29Å; I319-A324 HydrophobicContact CG2-CB 3.78Å; I319-L325 HydrophobicContact CB-CD2 4.08Å; I319-L325 HydrophobicContact CG2-CD2 4.12Å; I319-L325 HydrophobicContact CG2-CG 4.03Å; I319-L328 HydrophobicContact CD1-CD1 3.42Å; I319-L328 VanDerWaalsContact CD1-CD1 3.42Å; I319-F382 HydrophobicContact CD1-CD2 4.04Å; I319-F382 HydrophobicContact CD1-CE2 3.5Å; I319-F382 HydrophobicContact CD1-CZ 4.43Å
320	Q	89.9	Confident	93.7	Very high	130 Å²	130	44.4 Å²	44.4	61%	0.607	24%	0.242	S	C	*	.			trans	-103.3	-21.2	173.3	-55.8	-172	11.6	0	0	113.6	E153 P322	E153-Q320 PolarHBondContact OE1-NE2 2.73Å; Q320-P322 VanDerWaalsContact O-CD 3.28Å; Q320-P322 WeakPolarHBondContact O-CD 3.35Å
321	D	92.7	Very high	94	Very high	79 Å²	79	44.2 Å²	44.2	42%	0.422	24%	0.241	S	C	.	.			trans	-67.1	117.8	-177.6	174.4	50.5	0	0	0	111.7	I319 T323 A324 L325	I319-D321 HydrophobicContact CG2-CB 4.29Å; D321-T323 PolarHBondContact O-N 3.46Å; D321-T323 WeakPolarHBondContact OD2-CB 3.5Å; D321-T323 PolarHBondContact OD2-N 3.26Å; D321-A324 HydrophobicContact CB-CB 4.07Å; D321-A324 PolarHBondContact O-N 2.88Å; D321-A324 VanDerWaalsContact OD2-CB 3.32Å; D321-A324 WeakPolarHBondContact OD2-CB 3.24Å; D321-A324 PolarHBondContact OD2-N 3.11Å; D321-L325 WeakPolarHBondContact O-CG 3.32Å; D321-L325 PolarHBondContact O-N 2.77Å
322	P	94.4	Very high	94.2	Very high	96 Å²	96	46.9 Å²	46.9	62%	0.623	25%	0.253	S	S	*	.	H	α-helix	trans	-62	-29.3	-178.1	-24.2	34.8	0	0	0	113.9	Q320 S326	Q320-P322 VanDerWaalsContact O-CD 3.28Å; Q320-P322 WeakPolarHBondContact O-CD 3.35Å; P322-S326 WeakPolarHBondContact O-CB 3.48Å; P322-S326 PolarHBondContact O-N 2.94Å
323	T	94.6	Very high	94.3	Very high	85 Å²	85	52.9 Å²	52.9	52%	0.521	28%	0.278	S	S	.	.	H	α-helix	trans	-69.8	-50	179.5	-48.7	0	0	0	0	110.1	D321 L325 S326 E327	D321-T323 PolarHBondContact O-N 3.46Å; D321-T323 WeakPolarHBondContact OD2-CB 3.5Å; D321-T323 PolarHBondContact OD2-N 3.26Å; T323-L325 VanDerWaalsContact C-N 3.33Å; T323-L325 PolarHBondContact O-N 3.33Å; T323-S326 WeakPolarHBondContact O-CB 3.41Å; T323-S326 PolarHBondContact O-N 2.85Å; T323-E327 PolarHBondContact O-N 3.22Å
324	A	95.2	Very high	94.4	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-41.4	174.4	0	0	0	0	0	112.7	I319 D321 E327 L328 F382	I319-A324 HydrophobicContact CG2-CB 3.78Å; D321-A324 HydrophobicContact CB-CB 4.07Å; D321-A324 PolarHBondContact O-N 2.88Å; D321-A324 VanDerWaalsContact OD2-CB 3.32Å; D321-A324 WeakPolarHBondContact OD2-CB 3.24Å; D321-A324 PolarHBondContact OD2-N 3.11Å; A324-E327 PolarHBondContact O-N 3.28Å; A324-L328 PolarHBondContact O-N 3.13Å; A324-F382 HydrophobicContact CB-CB 4.34Å; A324-F382 HydrophobicContact CB-CD1 3.66Å; A324-F382 HydrophobicContact CB-CD2 3.74Å; A324-F382 HydrophobicContact CB-CE1 3.81Å; A324-F382 HydrophobicContact CB-CE2 3.91Å; A324-F382 HydrophobicContact CB-CG 3.63Å; A324-F382 HydrophobicContact CB-CZ 3.94Å
325	L	95.8	Very high	94.6	Very high	50 Å²	50	54.6 Å²	54.6	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-44.9	174.3	-70.8	173.9	0	0	0	111.7	S316 I319 D321 T323 E327 L328 E329	S316-L325 VanDerWaalsContact O-CD2 3.28Å; S316-L325 WeakPolarHBondContact O-CD2 3.45Å; I319-L325 HydrophobicContact CB-CD2 4.08Å; I319-L325 HydrophobicContact CG2-CD2 4.12Å; I319-L325 HydrophobicContact CG2-CG 4.03Å; D321-L325 WeakPolarHBondContact O-CG 3.32Å; D321-L325 PolarHBondContact O-N 2.77Å; T323-L325 VanDerWaalsContact C-N 3.33Å; T323-L325 PolarHBondContact O-N 3.33Å; L325-E327 VanDerWaalsContact C-N 3.29Å; L325-E327 PolarHBondContact O-N 3.1Å; L325-L328 PolarHBondContact O-N 2.58Å; L325-E329 WeakPolarHBondContact O-CG 3.27Å; L325-E329 PolarHBondContact O-N 3.22Å
326	S	96.6	Very high	94.6	Very high	47 Å²	47	58 Å²	58	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-36.7	176.3	-171.6	0	0	0	0	112.4	P322 T323 E329 K330	P322-S326 WeakPolarHBondContact O-CB 3.48Å; P322-S326 PolarHBondContact O-N 2.94Å; T323-S326 WeakPolarHBondContact O-CB 3.41Å; T323-S326 PolarHBondContact O-N 2.85Å; S326-E329 PolarHBondContact O-N 2.59Å; S326-K330 VanDerWaalsContact O-CG 3.31Å; S326-K330 WeakPolarHBondContact O-CG 3.3Å; S326-K330 PolarHBondContact O-N 3.21Å; S326-K330 VanDerWaalsContact O-N 3.08Å
327	E	97.2	Very high	94.6	Very high	43 Å²	43	60.9 Å²	60.9	20%	0.201	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-39.5	174.7	-69.4	-53.8	132.2	0	0	112.6	T323 A324 L325 K330 L331 W373 L377 F382	T323-E327 PolarHBondContact O-N 3.22Å; A324-E327 PolarHBondContact O-N 3.28Å; L325-E327 VanDerWaalsContact C-N 3.29Å; L325-E327 PolarHBondContact O-N 3.1Å; E327-K330 WeakPolarHBondContact O-CB 3.41Å; E327-K330 PolarHBondContact O-N 2.87Å; E327-K330 IonicContact OE1-NZ 2.76Å; E327-K330 PolarHBondContact OE1-NZ 3.14Å; E327-K330 IonicContact OE2-NZ 2.65Å; E327-L331 PolarHBondContact O-N 3.15Å; E327-L331 VanDerWaalsContact O-N 3.08Å; E327-W373 HydrophobicContact CB-CZ2 4.07Å; E327-W373 PolarHBondContact O-NE1 3.07Å; E327-L377 HydrophobicContact CB-CD2 3.76Å; E327-L377 HydrophobicContact CG-CD2 3.74Å; E327-F382 HydrophobicContact CB-CE1 4.21Å
328	L	96.3	Very high	94.6	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-68.1	-38.1	175.5	-72.3	168.1	0	0	0	112.4	I312 T315 S316 I319 A324 L325 K330 L331 Q332 W373 F382	I312-L328 HydrophobicContact CG2-CB 4.28Å; I312-L328 HydrophobicContact CG2-CD2 4.23Å; T315-L328 HydrophobicContact CG2-CD1 4.23Å; S316-L328 WeakPolarHBondContact OG-CD1 3.35Å; I319-L328 HydrophobicContact CD1-CD1 3.42Å; I319-L328 VanDerWaalsContact CD1-CD1 3.42Å; A324-L328 PolarHBondContact O-N 3.13Å; L325-L328 PolarHBondContact O-N 2.58Å; L328-K330 VanDerWaalsContact C-N 3.31Å; L328-K330 PolarHBondContact O-N 3.01Å; L328-L331 PolarHBondContact O-N 2.81Å; L328-Q332 WeakPolarHBondContact O-CB 3.13Å; L328-Q332 PolarHBondContact O-N 3.33Å; L328-W373 HydrophobicContact CD2-CH2 3.52Å; L328-W373 HydrophobicContact CD2-CZ2 3.89Å; L328-W373 HydrophobicContact CD2-CZ3 4.49Å; L328-W373 HydrophobicContact CG-CH2 4.35Å; L328-W373 HydrophobicContact CG-CZ2 4.34Å; L328-F382 HydrophobicContact CD1-CE2 4.22Å; L328-F382 HydrophobicContact CD1-CZ 4.11Å; L328-F382 HydrophobicContact CD2-CZ 4.26Å; L328-F382 HydrophobicContact CG-CZ 3.92Å
329	E	96.4	Very high	94.6	Very high	126 Å²	126	62.7 Å²	62.7	59%	0.589	32%	0.318	S	S	*	.	H	α-helix	trans	-60.6	-40.6	172.9	-73.5	177.7	173.8	0	0	111.7	L325 S326 Q332 K333	L325-E329 WeakPolarHBondContact O-CG 3.27Å; L325-E329 PolarHBondContact O-N 3.22Å; S326-E329 PolarHBondContact O-N 2.59Å; E329-Q332 PolarHBondContact O-N 3.07Å; E329-K333 WeakPolarHBondContact O-CB 3.2Å; E329-K333 PolarHBondContact O-N 3.11Å
330	K	96.9	Very high	94.4	Very high	100 Å²	100	64.9 Å²	64.9	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-46.4	174.1	-69.9	169.2	-166.7	171.4	0	111.3	S326 E327 L328 K333 I334	S326-K330 VanDerWaalsContact O-CG 3.31Å; S326-K330 WeakPolarHBondContact O-CG 3.3Å; S326-K330 PolarHBondContact O-N 3.21Å; S326-K330 VanDerWaalsContact O-N 3.08Å; E327-K330 WeakPolarHBondContact O-CB 3.41Å; E327-K330 PolarHBondContact O-N 2.87Å; E327-K330 IonicContact OE1-NZ 2.76Å; E327-K330 PolarHBondContact OE1-NZ 3.14Å; E327-K330 IonicContact OE2-NZ 2.65Å; L328-K330 VanDerWaalsContact C-N 3.31Å; L328-K330 PolarHBondContact O-N 3.01Å; K330-K333 PolarHBondContact O-N 3.37Å; K330-I334 WeakPolarHBondContact O-CG1 3.2Å; K330-I334 PolarHBondContact O-N 3.49Å
331	L	97.4	Very high	94.2	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-46.6	176.3	176.8	63.8	0	0	0	111.5	I312 E327 L328 K333 I334 L335 V370 W373	I312-L331 HydrophobicContact CD1-CD2 3.5Å; I312-L331 HydrophobicContact CD1-CG 3.74Å; I312-L331 HydrophobicContact CG1-CD2 3.85Å; E327-L331 PolarHBondContact O-N 3.15Å; E327-L331 VanDerWaalsContact O-N 3.08Å; L328-L331 PolarHBondContact O-N 2.81Å; L331-K333 PolarHBondContact O-N 3.33Å; L331-I334 WeakPolarHBondContact O-CB 3.41Å; L331-I334 PolarHBondContact O-N 3.12Å; L331-I334 VanDerWaalsContact O-N 3.11Å; L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 HydrophobicContact CD1-CG 4.19Å; L331-L335 HydrophobicContact CG-CD1 4.31Å; L331-L335 WeakPolarHBondContact O-CG 3.13Å; L331-L335 PolarHBondContact O-N 3.43Å; L331-V370 HydrophobicContact CD1-CG2 4.16Å; L331-V370 HydrophobicContact CD2-CG2 4.48Å; L331-W373 HydrophobicContact CB-CD2 3.92Å; L331-W373 HydrophobicContact CB-CG 4.08Å; L331-W373 HydrophobicContact CB-CZ2 4.26Å; L331-W373 HydrophobicContact CD1-CB 3.96Å; L331-W373 HydrophobicContact CD1-CD2 4.11Å; L331-W373 HydrophobicContact CD1-CE3 4.36Å; L331-W373 HydrophobicContact CD1-CG 3.93Å; L331-W373 HydrophobicContact CD2-CD2 3.85Å; L331-W373 HydrophobicContact CD2-CE3 3.57Å; L331-W373 HydrophobicContact CD2-CH2 4.1Å; L331-W373 HydrophobicContact CD2-CZ2 4.36Å; L331-W373 HydrophobicContact CD2-CZ3 3.68Å; L331-W373 HydrophobicContact CG-CD2 4.17Å; L331-W373 HydrophobicContact CG-CE3 4.35Å; L331-W373 HydrophobicContact CG-CG 4.39Å
332	Q	95.9	Very high	93.7	Very high	72 Å²	72	65.3 Å²	65.3	34%	0.336	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-41.2	178.7	-171.9	175.2	8.6	0	0	111.3	I312 L328 E329 H336	I312-Q332 HydrophobicContact CG2-CB 4.25Å; L328-Q332 WeakPolarHBondContact O-CB 3.13Å; L328-Q332 PolarHBondContact O-N 3.33Å; E329-Q332 PolarHBondContact O-N 3.07Å; Q332-H336 VanDerWaalsContact O-CB 3.28Å; Q332-H336 WeakPolarHBondContact O-CB 3.32Å; Q332-H336 PolarHBondContact O-N 2.52Å
333	K	96.1	Very high	93.1	Very high	137 Å²	137	63 Å²	63	60%	0.596	31%	0.311	S	S	*	.	H	α-helix	trans	-64.2	-44.9	174.8	-175.6	178.3	177.6	-176.7	0	112.3	E329 K330 L331 L335 H336 D337	E329-K333 WeakPolarHBondContact O-CB 3.2Å; E329-K333 PolarHBondContact O-N 3.11Å; K330-K333 PolarHBondContact O-N 3.37Å; L331-K333 PolarHBondContact O-N 3.33Å; K333-L335 PolarHBondContact O-N 3.35Å; K333-H336 PolarHBondContact O-N 2.99Å; K333-D337 WeakPolarHBondContact CE-OD2 3.42Å; K333-D337 WeakPolarHBondContact O-CB 3.16Å; K333-D337 VanDerWaalsContact O-CG 3.27Å; K333-D337 PolarHBondContact O-N 2.86Å
334	I	96	Very high	92.6	Very high	71 Å²	71	60 Å²	60	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-55.2	-53	177.2	-69.9	163.7	0	0	0	110.3	K330 L331 H336 D337 E338 A369	K330-I334 WeakPolarHBondContact O-CG1 3.2Å; K330-I334 PolarHBondContact O-N 3.49Å; L331-I334 WeakPolarHBondContact O-CB 3.41Å; L331-I334 PolarHBondContact O-N 3.12Å; L331-I334 VanDerWaalsContact O-N 3.11Å; I334-H336 VanDerWaalsContact C-N 3.34Å; I334-H336 PolarHBondContact O-N 3.19Å; I334-D337 PolarHBondContact O-N 2.94Å; I334-E338 WeakPolarHBondContact O-CG 3.49Å; I334-E338 PolarHBondContact O-N 3.01Å; I334-A369 HydrophobicContact CG2-CB 4.15Å
335	L	95.3	Very high	92.2	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-38.4	-179	-60.5	178.7	0	0	0	112.2	Y305 L308 I312 L331 K333 V339 L366 A369 V370	Y305-L335 HydrophobicContact CD2-CB 4.24Å; Y305-L335 HydrophobicContact CE2-CB 4.01Å; L308-L335 HydrophobicContact CB-CD1 3.95Å; L308-L335 HydrophobicContact CD1-CD1 4.28Å; I312-L335 HydrophobicContact CD1-CD1 3.48Å; I312-L335 VanDerWaalsContact CD1-CD1 3.48Å; L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 HydrophobicContact CD1-CG 4.19Å; L331-L335 HydrophobicContact CG-CD1 4.31Å; L331-L335 WeakPolarHBondContact O-CG 3.13Å; L331-L335 PolarHBondContact O-N 3.43Å; K333-L335 PolarHBondContact O-N 3.35Å; L335-V339 WeakPolarHBondContact O-CG2 3.34Å; L335-V339 PolarHBondContact O-N 2.94Å; L335-L366 HydrophobicContact CB-CD2 4.35Å; L335-L366 HydrophobicContact CD2-CB 4.29Å; L335-L366 HydrophobicContact CD2-CD2 3.66Å; L335-A369 HydrophobicContact CD2-CB 4.21Å; L335-V370 HydrophobicContact CD1-CG2 4.3Å; L335-V370 HydrophobicContact CD2-CG2 4.24Å
336	H	93.4	Very high	91.7	Very high	83 Å²	83	66.3 Å²	66.3	38%	0.384	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-47.4	176	176.7	-80.6	0	0	0	111.6	Q332 K333 I334 E338 V339 H340	Q332-H336 VanDerWaalsContact O-CB 3.28Å; Q332-H336 WeakPolarHBondContact O-CB 3.32Å; Q332-H336 PolarHBondContact O-N 2.52Å; K333-H336 PolarHBondContact O-N 2.99Å; I334-H336 VanDerWaalsContact C-N 3.34Å; I334-H336 PolarHBondContact O-N 3.19Å; H336-E338 VanDerWaalsContact C-N 3.31Å; H336-E338 PolarHBondContact O-N 3.38Å; H336-V339 PolarHBondContact O-N 3.27Å; H336-H340 AromaticContact CD2-CD2 3.37Å; H336-H340 PolarHBondContact CD2-CD2 3.34Å; H336-H340 AromaticContact CD2-NE2 3.82Å; H336-H340 AromaticContact CE1-CD2 3.78Å; H336-H340 AromaticContact CE1-CG 3.84Å; H336-H340 AromaticContact CG-CD2 3.82Å; H336-H340 AromaticContact NE2-CD2 3.38Å; H336-H340 PolarHBondContact NE2-CD2 3.49Å; H336-H340 AromaticContact NE2-CG 3.73Å; H336-H340 AromaticContact NE2-NE2 3.83Å; H336-H340 WeakPolarHBondContact O-CB 3.07Å; H336-H340 PolarHBondContact O-CD2 2.98Å; H336-H340 PolarHBondContact O-N 3.39Å
337	D	93.2	Very high	91.2	Very high	87 Å²	87	64 Å²	64	47%	0.465	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-35.9	-178.9	-69.2	-12.6	0	0	0	111.3	K333 I334 V339 H341	K333-D337 WeakPolarHBondContact CE-OD2 3.42Å; K333-D337 WeakPolarHBondContact O-CB 3.16Å; K333-D337 VanDerWaalsContact O-CG 3.27Å; K333-D337 PolarHBondContact O-N 2.86Å; I334-D337 PolarHBondContact O-N 2.94Å; D337-V339 VanDerWaalsContact C-N 3.34Å; D337-V339 PolarHBondContact O-N 3.38Å; D337-H341 PolarHBondContact O-N 3.03Å
338	E	90.3	Very high	90.6	Very high	77 Å²	77	67.8 Å²	67.8	36%	0.36	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-36.4	173.4	-76.2	-174.2	-176.6	0	0	113.1	I334 H336 L366	I334-E338 WeakPolarHBondContact O-CG 3.49Å; I334-E338 PolarHBondContact O-N 3.01Å; H336-E338 VanDerWaalsContact C-N 3.31Å; H336-E338 PolarHBondContact O-N 3.38Å; E338-L366 HydrophobicContact CB-CD2 4.16Å; E338-L366 VanDerWaalsContact OE2-CD2 3.29Å; E338-L366 WeakPolarHBondContact OE2-CD2 3.33Å
339	V	90.2	Very high	90.2	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-90.2	-29.1	-176.6	174.2	0	0	0	0	112.6	P287 W289 Y301 Y305 L335 H336 D337 L366	P287-V339 HydrophobicContact CG-CG1 3.58Å; W289-V339 WeakPolarHBondContact CZ2-O 3.35Å; W289-V339 PolarHBondContact NE1-O 2.85Å; Y301-V339 HydrophobicContact CE1-CG2 4.49Å; Y301-V339 HydrophobicContact CE2-CG2 4.45Å; Y301-V339 WeakPolarHBondContact OH-CA 3.42Å; Y301-V339 VanDerWaalsContact OH-CG2 3.24Å; Y301-V339 WeakPolarHBondContact OH-CG2 3.37Å; Y305-V339 HydrophobicContact CD1-CB 4.38Å; Y305-V339 HydrophobicContact CD1-CG1 3.9Å; Y305-V339 HydrophobicContact CD1-CG2 4.09Å; Y305-V339 HydrophobicContact CD2-CB 4.36Å; Y305-V339 HydrophobicContact CD2-CG2 3.56Å; Y305-V339 HydrophobicContact CE1-CB 4.36Å; Y305-V339 HydrophobicContact CE1-CG1 3.98Å; Y305-V339 HydrophobicContact CE1-CG2 4.46Å; Y305-V339 HydrophobicContact CE2-CB 4.32Å; Y305-V339 HydrophobicContact CE2-CG2 3.95Å; Y305-V339 HydrophobicContact CG-CB 4.37Å; Y305-V339 HydrophobicContact CG-CG1 4.27Å; Y305-V339 HydrophobicContact CG-CG2 3.62Å; L335-V339 WeakPolarHBondContact O-CG2 3.34Å; L335-V339 PolarHBondContact O-N 2.94Å; H336-V339 PolarHBondContact O-N 3.27Å; D337-V339 VanDerWaalsContact C-N 3.34Å; D337-V339 PolarHBondContact O-N 3.38Å; V339-L366 HydrophobicContact CG2-CD1 4.34Å; V339-L366 HydrophobicContact CG2-CD2 3.99Å
340	H	88.7	Confident	89.9	Confident	67 Å²	67	67.4 Å²	67.4	31%	0.31	34%	0.341	S	S	.	.	H	α-helix	trans	-98.4	10.6	-175.7	-72.7	-84.9	0	0	0	114	H336 N342	H336-H340 AromaticContact CD2-CD2 3.37Å; H336-H340 PolarHBondContact CD2-CD2 3.34Å; H336-H340 AromaticContact CD2-NE2 3.82Å; H336-H340 AromaticContact CE1-CD2 3.78Å; H336-H340 AromaticContact CE1-CG 3.84Å; H336-H340 AromaticContact CG-CD2 3.82Å; H336-H340 AromaticContact NE2-CD2 3.38Å; H336-H340 PolarHBondContact NE2-CD2 3.49Å; H336-H340 AromaticContact NE2-CG 3.73Å; H336-H340 AromaticContact NE2-NE2 3.83Å; H336-H340 WeakPolarHBondContact O-CB 3.07Å; H336-H340 PolarHBondContact O-CD2 2.98Å; H336-H340 PolarHBondContact O-N 3.39Å; H340-N342 PolarHBondContact O-N 3.28Å
341	H	86.1	Confident	89.5	Confident	119 Å²	119	66.3 Å²	66.3	55%	0.551	34%	0.34	S	S	*	.	S	Bend	trans	-72.4	118.1	168.9	-169.5	59.4	0	0	0	110.8	D337 E343	D337-H341 PolarHBondContact O-N 3.03Å; H341-E343 VanDerWaalsContact CD2-CG 3.48Å; H341-E343 WeakPolarHBondContact CD2-CG 3.41Å; H341-E343 IonicContact CD2-OE1 3.4Å; H341-E343 PolarHBondContact O-N 3.01Å
342	N	82.5	Confident	89	Confident	100 Å²	100	70.9 Å²	70.9	54%	0.535	37%	0.369	S	S	.	.			trans	-72.4	112.4	-177.2	-178.4	-7.9	0	0	0	111.4	W289 H340 S344	W289-N342 HydrophobicContact CB-CB 3.9Å; W289-N342 WeakPolarHBondContact CB-OD1 3.33Å; W289-N342 HydrophobicContact CG-CB 4.29Å; H340-N342 PolarHBondContact O-N 3.28Å; N342-S344 WeakPolarHBondContact OD1-CB 3.42Å; N342-S344 PolarHBondContact OD1-N 3.48Å; N342-S344 VanDerWaalsContact OD1-N 3.11Å; N342-S344 PolarHBondContact OD1-OG 3.46Å
343	E	81.7	Confident	88.7	Confident	46 Å²	46	72.4 Å²	72.4	22%	0.215	38%	0.377	C	S	.	.			trans	-127.7	26.3	179.4	-66.9	173.2	118.8	0	0	112.5	W289 H341 V345 L346 L347 R362	W289-E343 HydrophobicContact CZ3-CB 4.43Å; H341-E343 VanDerWaalsContact CD2-CG 3.48Å; H341-E343 WeakPolarHBondContact CD2-CG 3.41Å; H341-E343 IonicContact CD2-OE1 3.4Å; H341-E343 PolarHBondContact O-N 3.01Å; E343-V345 PolarHBondContact O-N 3Å; E343-L346 HydrophobicContact CB-CB 4.3Å; E343-L346 WeakPolarHBondContact O-CB 3.35Å; E343-L346 PolarHBondContact O-N 3.15Å; E343-L347 PolarHBondContact O-N 3.41Å; E343-R362 IonicContact OE1-NH2 2.9Å; E343-R362 PolarHBondContact OE1-NH2 3.43Å; E343-R362 IonicContact OE2-CZ 2.67Å; E343-R362 IonicContact OE2-NH1 3.72Å; E343-R362 PolarHBondContact OE2-NH1 3.31Å; E343-R362 IonicContact OE2-NH2 3.93Å; E343-R362 PolarHBondContact OE2-NH2 2.95Å
344	S	83.7	Confident	88.4	Confident	22 Å²	22	70.4 Å²	70.4	15%	0.154	37%	0.369	C	S	.	.	H	α-helix	trans	-47.1	-46.3	176.8	46.6	0	0	0	0	112.6	N342 L346 L347 E348	N342-S344 WeakPolarHBondContact OD1-CB 3.42Å; N342-S344 PolarHBondContact OD1-N 3.48Å; N342-S344 VanDerWaalsContact OD1-N 3.11Å; N342-S344 PolarHBondContact OD1-OG 3.46Å; S344-L346 VanDerWaalsContact C-N 3.35Å; S344-L346 PolarHBondContact O-N 3.24Å; S344-L347 PolarHBondContact O-N 2.87Å; S344-E348 WeakPolarHBondContact O-CG 3.38Å; S344-E348 PolarHBondContact O-N 3.29Å
345	V	85.8	Confident	88	Confident	114 Å²	114	68.6 Å²	68.6	69%	0.691	36%	0.358	S	S	*	.	H	α-helix	trans	-60.4	-40.5	178.3	-179.7	0	0	0	0	112.6	E343 S349	E343-V345 PolarHBondContact O-N 3Å; V345-S349 PolarHBondContact O-N 3.04Å
346	L	86.4	Confident	87.6	Confident	71 Å²	71	72.2 Å²	72.2	37%	0.372	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-48.8	177	174.8	63.9	0	0	0	109.9	E343 S344 E348 S349 L350 L358	E343-L346 HydrophobicContact CB-CB 4.3Å; E343-L346 WeakPolarHBondContact O-CB 3.35Å; E343-L346 PolarHBondContact O-N 3.15Å; S344-L346 VanDerWaalsContact C-N 3.35Å; S344-L346 PolarHBondContact O-N 3.24Å; L346-E348 VanDerWaalsContact C-N 3.28Å; L346-E348 PolarHBondContact O-N 2.83Å; L346-S349 PolarHBondContact O-N 2.79Å; L346-S349 PolarHBondContact O-OG 2.6Å; L346-L350 HydrophobicContact CD1-CD1 4.43Å; L346-L350 HydrophobicContact CD1-CD2 4.47Å; L346-L350 HydrophobicContact CD1-CG 4.41Å; L346-L350 HydrophobicContact CG-CD1 4.29Å; L346-L350 WeakPolarHBondContact O-CG 3.22Å; L346-L350 PolarHBondContact O-N 3.02Å; L346-L358 HydrophobicContact CD2-CD2 4.34Å
347	L	86	Confident	87.5	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.8	-35.1	-178.9	-70	-173.1	0	0	0	113.8	W289 L290 V292 E343 S344 S349 R355 L358 F359	W289-L347 HydrophobicContact CE3-CD1 4.25Å; W289-L347 HydrophobicContact CH2-CD1 4.36Å; W289-L347 HydrophobicContact CZ3-CD1 3.48Å; W289-L347 VanDerWaalsContact CZ3-CD1 3.48Å; W289-L347 HydrophobicContact CZ3-CG 4.29Å; L290-L347 HydrophobicContact CD1-CD1 3.6Å; V292-L347 HydrophobicContact CG1-CB 3.98Å; V292-L347 HydrophobicContact CG1-CD1 4.47Å; V292-L347 HydrophobicContact CG2-CD1 3.93Å; E343-L347 PolarHBondContact O-N 3.41Å; S344-L347 PolarHBondContact O-N 2.87Å; L347-S349 VanDerWaalsContact C-N 3.28Å; L347-R355 HydrophobicContact CD2-CG 4.26Å; L347-R355 PolarHBondContact O-NH2 2.72Å; L347-R355 VanDerWaalsContact O-NH2 3.09Å; L347-L358 HydrophobicContact CD2-CD2 3.83Å; L347-F359 HydrophobicContact CD1-CZ 4.07Å; L347-F359 HydrophobicContact CD2-CE2 4.22Å; L347-F359 HydrophobicContact CD2-CZ 4.08Å
348	E	84.9	Confident	87.4	Confident	121 Å²	121	68.7 Å²	68.7	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-68.3	-28.2	175.9	-75.5	174.1	-167.6	0	0	112.4	N291 S344 L346	N291-E348 PolarHBondContact ND2-OE1 3Å; S344-E348 WeakPolarHBondContact O-CG 3.38Å; S344-E348 PolarHBondContact O-N 3.29Å; L346-E348 VanDerWaalsContact C-N 3.28Å; L346-E348 PolarHBondContact O-N 2.83Å
349	S	88.2	Confident	87.4	Confident	86 Å²	86	65 Å²	65	60%	0.601	34%	0.34	S	S	*	.	H	α-helix	trans	-83	-18.5	-179.7	71.9	0	0	0	0	114.4	V345 L346 L347	V345-S349 PolarHBondContact O-N 3.04Å; L346-S349 PolarHBondContact O-N 2.79Å; L346-S349 PolarHBondContact O-OG 2.6Å; L347-S349 VanDerWaalsContact C-N 3.28Å
350	L	88.9	Confident	87.4	Confident	37 Å²	37	68.5 Å²	68.5	19%	0.194	36%	0.357	C	S	.	.	S	Bend	trans	-87.4	144	-177.2	-63.8	176.9	0	0	0	112.1	L346 E354 R355 L358	L346-L350 HydrophobicContact CD1-CD1 4.43Å; L346-L350 HydrophobicContact CD1-CD2 4.47Å; L346-L350 HydrophobicContact CD1-CG 4.41Å; L346-L350 HydrophobicContact CG-CD1 4.29Å; L346-L350 WeakPolarHBondContact O-CG 3.22Å; L346-L350 PolarHBondContact O-N 3.02Å; L350-E354 HydrophobicContact CB-CB 4.04Å; L350-E354 HydrophobicContact CD2-CB 4.05Å; L350-E354 HydrophobicContact CG-CB 4.45Å; L350-R355 HydrophobicContact CB-CB 4.48Å; L350-L358 HydrophobicContact CD1-CB 4.5Å; L350-L358 HydrophobicContact CD1-CD2 3.58Å
351	D	89.3	Confident	87.6	Confident	78 Å²	78	71.7 Å²	71.7	42%	0.417	37%	0.372	S	S	.	.			trans	-71.1	167	167.5	81.2	37.7	0	0	0	111.7	E353 E354 R355	D351-E353 VanDerWaalsContact C-N 3.3Å; D351-E353 PolarHBondContact O-N 3.41Å; D351-E353 WeakPolarHBondContact OD1-CA 3.39Å; D351-E353 PolarHBondContact OD1-N 3.21Å; D351-E354 PolarHBondContact N-OE2 2.84Å; D351-E354 PolarHBondContact O-N 3.03Å; D351-E354 PolarHBondContact OD1-N 2.89Å; D351-R355 WeakPolarHBondContact O-CB 3.46Å; D351-R355 PolarHBondContact O-N 3.4Å
352	P	86.7	Confident	87.8	Confident	98 Å²	98	67.6 Å²	67.6	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-58.7	-35.2	-177.7	-26.8	36.2	0	0	0	114.8	K356	P352-K356 WeakPolarHBondContact O-CB 3.43Å; P352-K356 PolarHBondContact O-N 3.38Å
353	E	88.5	Confident	88.3	Confident	104 Å²	104	63 Å²	63	49%	0.486	33%	0.327	S	S	.	.	H	α-helix	trans	-77.7	-39.6	-178.3	-174	59.9	-153.5	0	0	110.7	D351 R355 K356 N357	D351-E353 VanDerWaalsContact C-N 3.3Å; D351-E353 PolarHBondContact O-N 3.41Å; D351-E353 WeakPolarHBondContact OD1-CA 3.39Å; D351-E353 PolarHBondContact OD1-N 3.21Å; E353-R355 VanDerWaalsContact C-N 3.33Å; E353-R355 PolarHBondContact O-N 3.29Å; E353-K356 WeakPolarHBondContact O-CB 3.14Å; E353-K356 PolarHBondContact O-N 2.96Å; E353-N357 PolarHBondContact O-N 3.45Å; E353-N357 PolarHBondContact O-ND2 3.14Å
354	E	90.4	Very high	88.8	Confident	95 Å²	95	65.7 Å²	65.7	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-42.8	171.8	-68.7	177.9	142.4	0	0	111.5	L350 D351 N357 L358	L350-E354 HydrophobicContact CB-CB 4.04Å; L350-E354 HydrophobicContact CD2-CB 4.05Å; L350-E354 HydrophobicContact CG-CB 4.45Å; D351-E354 PolarHBondContact N-OE2 2.84Å; D351-E354 PolarHBondContact O-N 3.03Å; D351-E354 PolarHBondContact OD1-N 2.89Å; E354-N357 PolarHBondContact O-N 2.88Å; E354-L358 WeakPolarHBondContact O-CB 3.31Å; E354-L358 PolarHBondContact O-N 3.18Å
355	R	88.1	Confident	89.4	Confident	34 Å²	34	66 Å²	66	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-44.2	175.9	-174.9	-177.2	-55.9	160.7	7.1	111.9	L347 L350 D351 E353 L358 F359	L347-R355 HydrophobicContact CD2-CG 4.26Å; L347-R355 PolarHBondContact O-NH2 2.72Å; L347-R355 VanDerWaalsContact O-NH2 3.09Å; L350-R355 HydrophobicContact CB-CB 4.48Å; D351-R355 WeakPolarHBondContact O-CB 3.46Å; D351-R355 PolarHBondContact O-N 3.4Å; E353-R355 VanDerWaalsContact C-N 3.33Å; E353-R355 PolarHBondContact O-N 3.29Å; R355-L358 WeakPolarHBondContact O-CB 3.17Å; R355-L358 PolarHBondContact O-N 3.03Å; R355-F359 HydrophobicContact CG-CD2 3.81Å; R355-F359 HydrophobicContact CG-CE2 3.55Å; R355-F359 VanDerWaalsContact O-CD2 3.31Å; R355-F359 WeakPolarHBondContact O-CD2 3.35Å; R355-F359 PolarHBondContact O-N 2.86Å
356	K	87.7	Confident	89.8	Confident	78 Å²	78	60.6 Å²	60.6	34%	0.339	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-50.2	175.8	-173.4	-176.1	175.2	-176.2	0	111.3	V297 P352 E353 L358 F359 Q360	V297-K356 HydrophobicContact CB-CG 3.99Å; V297-K356 HydrophobicContact CG1-CG 4.01Å; V297-K356 WeakPolarHBondContact CG1-O 3.23Å; V297-K356 HydrophobicContact CG2-CD 4.15Å; V297-K356 HydrophobicContact CG2-CG 3.59Å; P352-K356 WeakPolarHBondContact O-CB 3.43Å; P352-K356 PolarHBondContact O-N 3.38Å; E353-K356 WeakPolarHBondContact O-CB 3.14Å; E353-K356 PolarHBondContact O-N 2.96Å; K356-L358 VanDerWaalsContact C-N 3.29Å; K356-L358 PolarHBondContact O-N 2.59Å; K356-F359 PolarHBondContact O-N 3Å; K356-Q360 WeakPolarHBondContact O-CG 3.49Å; K356-Q360 PolarHBondContact O-N 3.08Å
357	N	90.1	Very high	90.2	Very high	63 Å²	63	57.7 Å²	57.7	34%	0.337	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-39.9	177.5	-76	-56.1	0	0	0	112	E353 E354 Q360 Q361	E353-N357 PolarHBondContact O-N 3.45Å; E353-N357 PolarHBondContact O-ND2 3.14Å; E354-N357 PolarHBondContact O-N 2.88Å; N357-Q360 PolarHBondContact O-N 2.85Å; N357-Q361 VanDerWaalsContact O-CG 3.3Å; N357-Q361 WeakPolarHBondContact O-CG 3.46Å; N357-Q361 PolarHBondContact O-N 2.92Å
358	L	90.9	Very high	90.6	Very high	33 Å²	33	65.6 Å²	65.6	17%	0.173	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-48.5	176.1	177.1	63.4	0	0	0	111.9	L346 L347 L350 E354 R355 K356 Q360 Q361 R362	L346-L358 HydrophobicContact CD2-CD2 4.34Å; L347-L358 HydrophobicContact CD2-CD2 3.83Å; L350-L358 HydrophobicContact CD1-CB 4.5Å; L350-L358 HydrophobicContact CD1-CD2 3.58Å; E354-L358 WeakPolarHBondContact O-CB 3.31Å; E354-L358 PolarHBondContact O-N 3.18Å; R355-L358 WeakPolarHBondContact O-CB 3.17Å; R355-L358 PolarHBondContact O-N 3.03Å; K356-L358 VanDerWaalsContact C-N 3.29Å; K356-L358 PolarHBondContact O-N 2.59Å; L358-Q360 PolarHBondContact O-N 3.25Å; L358-Q361 PolarHBondContact O-N 3.43Å; L358-R362 HydrophobicContact CD1-CG 4.48Å; L358-R362 VanDerWaalsContact O-CG 3.31Å; L358-R362 WeakPolarHBondContact O-CG 3.44Å; L358-R362 PolarHBondContact O-N 3.31Å
359	F	90.8	Very high	91.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-38.5	178.6	-78.6	-61.6	0	0	0	112.6	L290 V297 Y301 L347 R355 K356 Q361 R362 S363	L290-F359 HydrophobicContact CD1-CE1 4.35Å; L290-F359 HydrophobicContact CD1-CZ 3.7Å; V297-F359 HydrophobicContact CG1-CB 3.78Å; Y301-F359 AromaticContact CD1-CD1 3.64Å; Y301-F359 HydrophobicContact CD1-CD1 3.64Å; Y301-F359 AromaticContact CD1-CE1 3.86Å; Y301-F359 HydrophobicContact CD1-CE1 3.86Å; Y301-F359 HydrophobicContact CE1-CD1 4.31Å; Y301-F359 HydrophobicContact CE1-CE1 4.27Å; Y301-F359 AromaticContact CG-CD1 3.91Å; Y301-F359 HydrophobicContact CG-CD1 3.91Å; L347-F359 HydrophobicContact CD1-CZ 4.07Å; L347-F359 HydrophobicContact CD2-CE2 4.22Å; L347-F359 HydrophobicContact CD2-CZ 4.08Å; R355-F359 HydrophobicContact CG-CD2 3.81Å; R355-F359 HydrophobicContact CG-CE2 3.55Å; R355-F359 VanDerWaalsContact O-CD2 3.31Å; R355-F359 WeakPolarHBondContact O-CD2 3.35Å; R355-F359 PolarHBondContact O-N 2.86Å; K356-F359 PolarHBondContact O-N 3Å; F359-Q361 VanDerWaalsContact C-N 3.35Å; F359-Q361 PolarHBondContact O-N 2.99Å; F359-R362 PolarHBondContact O-N 3.36Å; F359-S363 PolarHBondContact O-N 2.69Å; F359-S363 PolarHBondContact O-OG 3.01Å; F359-S363 VanDerWaalsContact O-OG 3.13Å
360	Q	90.4	Very high	91.6	Very high	73 Å²	73	56.9 Å²	56.9	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-44.9	172.5	-71.4	177.4	-19.3	0	0	112	V297 K356 N357 L358 R362 S363 L364	V297-Q360 HydrophobicContact CG1-CG 3.58Å; K356-Q360 WeakPolarHBondContact O-CG 3.49Å; K356-Q360 PolarHBondContact O-N 3.08Å; N357-Q360 PolarHBondContact O-N 2.85Å; L358-Q360 PolarHBondContact O-N 3.25Å; Q360-R362 VanDerWaalsContact C-N 3.3Å; Q360-R362 PolarHBondContact O-N 3.17Å; Q360-S363 PolarHBondContact O-N 3.01Å; Q360-L364 WeakPolarHBondContact O-CG 3.48Å; Q360-L364 PolarHBondContact O-N 3.44Å; Q360-L364 VanDerWaalsContact O-N 3.12Å
361	Q	92	Very high	91.9	Very high	134 Å²	134	59.5 Å²	59.5	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-62.7	-37.4	176	-73.2	175.7	13.7	0	0	112	N357 L358 F359 L364 G365	N357-Q361 VanDerWaalsContact O-CG 3.3Å; N357-Q361 WeakPolarHBondContact O-CG 3.46Å; N357-Q361 PolarHBondContact O-N 2.92Å; L358-Q361 PolarHBondContact O-N 3.43Å; F359-Q361 VanDerWaalsContact C-N 3.35Å; F359-Q361 PolarHBondContact O-N 2.99Å; Q361-L364 PolarHBondContact O-N 2.9Å; Q361-G365 PolarHBondContact O-N 3.4Å
362	R	91.8	Very high	92.2	Very high	33 Å²	33	60.2 Å²	60.2	13%	0.125	30%	0.297	C	S	.	.	H	α-helix	trans	-68.9	-41	176.6	-70.1	175.4	-172.1	-137.5	-6.4	112.7	Y301 E343 L358 F359 Q360 L364 G365 L366	Y301-R362 HydrophobicContact CD2-CB 3.65Å; Y301-R362 HydrophobicContact CE2-CB 3.43Å; Y301-R362 VanDerWaalsContact CE2-CB 3.43Å; Y301-R362 HydrophobicContact CE2-CG 4.45Å; Y301-R362 HydrophobicContact CG-CB 4.44Å; E343-R362 IonicContact OE1-NH2 2.9Å; E343-R362 PolarHBondContact OE1-NH2 3.43Å; E343-R362 IonicContact OE2-CZ 2.67Å; E343-R362 IonicContact OE2-NH1 3.72Å; E343-R362 PolarHBondContact OE2-NH1 3.31Å; E343-R362 IonicContact OE2-NH2 3.93Å; E343-R362 PolarHBondContact OE2-NH2 2.95Å; L358-R362 HydrophobicContact CD1-CG 4.48Å; L358-R362 VanDerWaalsContact O-CG 3.31Å; L358-R362 WeakPolarHBondContact O-CG 3.44Å; L358-R362 PolarHBondContact O-N 3.31Å; F359-R362 PolarHBondContact O-N 3.36Å; Q360-R362 VanDerWaalsContact C-N 3.3Å; Q360-R362 PolarHBondContact O-N 3.17Å; R362-L364 VanDerWaalsContact C-N 3.3Å; R362-L364 PolarHBondContact O-N 3.15Å; R362-G365 WeakPolarHBondContact O-CA 3.43Å; R362-G365 PolarHBondContact O-N 3.27Å; R362-L366 PolarHBondContact O-N 3.28Å
363	S	92.4	Very high	92.7	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-54.6	-50.5	172.5	-62.3	0	0	0	0	110.1	Y301 F359 Q360 G365 L366 M367	Y301-S363 VanDerWaalsContact CA-OG 3.23Å; Y301-S363 WeakPolarHBondContact CA-OG 3.04Å; Y301-S363 WeakPolarHBondContact CB-OG 3.18Å; F359-S363 PolarHBondContact O-N 2.69Å; F359-S363 PolarHBondContact O-OG 3.01Å; F359-S363 VanDerWaalsContact O-OG 3.13Å; Q360-S363 PolarHBondContact O-N 3.01Å; S363-G365 VanDerWaalsContact C-N 3.29Å; S363-G365 PolarHBondContact O-N 2.91Å; S363-L366 PolarHBondContact O-N 3.46Å; S363-M367 VanDerWaalsContact O-CG 3.25Å; S363-M367 WeakPolarHBondContact O-CG 3.46Å; S363-M367 PolarHBondContact O-N 2.9Å
364	L	92.9	Very high	93.1	Very high	104 Å²	104	51.8 Å²	51.8	55%	0.545	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-33.5	175.6	-65.2	174.7	0	0	0	112.9	Q360 Q361 R362 M367 R368	Q360-L364 WeakPolarHBondContact O-CG 3.48Å; Q360-L364 PolarHBondContact O-N 3.44Å; Q360-L364 VanDerWaalsContact O-N 3.12Å; Q361-L364 PolarHBondContact O-N 2.9Å; R362-L364 VanDerWaalsContact C-N 3.3Å; R362-L364 PolarHBondContact O-N 3.15Å; L364-M367 PolarHBondContact O-N 3.12Å; L364-R368 VanDerWaalsContact O-CB 3.32Å; L364-R368 WeakPolarHBondContact O-CB 3.42Å; L364-R368 PolarHBondContact O-N 3.12Å
365	G	94.7	Very high	93.3	Very high	29 Å²	29	54 Å²	54	30%	0.299	26%	0.262	S	S	.	.	H	α-helix	trans	-58.9	-50.8	174.4	0	0	0	0	0	112.5	Q361 R362 S363 M367 R368 A369	Q361-G365 PolarHBondContact O-N 3.4Å; R362-G365 WeakPolarHBondContact O-CA 3.43Å; R362-G365 PolarHBondContact O-N 3.27Å; S363-G365 VanDerWaalsContact C-N 3.29Å; S363-G365 PolarHBondContact O-N 2.91Å; G365-M367 VanDerWaalsContact C-N 3.31Å; G365-M367 PolarHBondContact O-N 3.47Å; G365-R368 PolarHBondContact O-N 3.01Å; G365-A369 PolarHBondContact O-N 2.74Å
366	L	95.1	Very high	93.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.5	-44.9	176.7	-69.9	171.9	0	0	0	111.4	Y301 V304 L308 L335 E338 V339 R362 S363 R368 A369 V370	Y301-L366 HydrophobicContact CD2-CD1 3.79Å; Y301-L366 HydrophobicContact CE2-CD1 3.35Å; Y301-L366 HydrophobicContact CE2-CG 3.96Å; V304-L366 HydrophobicContact CB-CD1 4.46Å; V304-L366 HydrophobicContact CG1-CB 4.13Å; V304-L366 HydrophobicContact CG1-CD1 4.01Å; L308-L366 HydrophobicContact CD1-CB 4.15Å; L335-L366 HydrophobicContact CB-CD2 4.35Å; L335-L366 HydrophobicContact CD2-CB 4.29Å; L335-L366 HydrophobicContact CD2-CD2 3.66Å; E338-L366 HydrophobicContact CB-CD2 4.16Å; E338-L366 VanDerWaalsContact OE2-CD2 3.29Å; E338-L366 WeakPolarHBondContact OE2-CD2 3.33Å; V339-L366 HydrophobicContact CG2-CD1 4.34Å; V339-L366 HydrophobicContact CG2-CD2 3.99Å; R362-L366 PolarHBondContact O-N 3.28Å; S363-L366 PolarHBondContact O-N 3.46Å; L366-R368 VanDerWaalsContact C-N 3.35Å; L366-R368 PolarHBondContact O-N 3.23Å; L366-A369 WeakPolarHBondContact O-CB 3.41Å; L366-A369 PolarHBondContact O-N 3.11Å; L366-V370 WeakPolarHBondContact O-CG2 3.29Å; L366-V370 PolarHBondContact O-N 3.4Å
367	M	94.3	Very high	94.1	Very high	10 Å²	10	53 Å²	53	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-44.2	179.2	-57.2	-62.6	-90.4	0	0	110.9	V304 L308 S363 L364 G365 A369 V370 E371 L394 I397 L398	V304-M367 HydrophobicContact CG1-CG 4.17Å; V304-M367 HydrophobicContact CG1-SD 3.59Å; V304-M367 VanDerWaalsContact CG1-SD 3.59Å; L308-M367 HydrophobicContact CD1-SD 4.07Å; S363-M367 VanDerWaalsContact O-CG 3.25Å; S363-M367 WeakPolarHBondContact O-CG 3.46Å; S363-M367 PolarHBondContact O-N 2.9Å; L364-M367 PolarHBondContact O-N 3.12Å; G365-M367 VanDerWaalsContact C-N 3.31Å; G365-M367 PolarHBondContact O-N 3.47Å; M367-A369 VanDerWaalsContact C-N 3.32Å; M367-A369 PolarHBondContact O-N 3.49Å; M367-V370 WeakPolarHBondContact O-CB 3.35Å; M367-V370 PolarHBondContact O-N 2.87Å; M367-E371 PolarHBondContact O-N 3.47Å; M367-L394 HydrophobicContact CB-CD2 4.4Å; M367-L394 VanDerWaalsContact CE-CA 3.44Å; M367-L394 HydrophobicContact CE-CB 3.57Å; M367-L394 HydrophobicContact CE-CD2 3.38Å; M367-L394 HydrophobicContact CE-CG 3.98Å; M367-L394 WeakPolarHBondContact CE-O 3.31Å; M367-L394 HydrophobicContact SD-CD2 3.54Å; M367-L394 VanDerWaalsContact SD-CD2 3.54Å; M367-I397 HydrophobicContact CE-CB 3.84Å; M367-I397 HydrophobicContact CE-CD1 4.27Å; M367-I397 HydrophobicContact CE-CG2 4Å; M367-I397 HydrophobicContact SD-CD1 4.35Å; M367-I397 HydrophobicContact SD-CG2 4.26Å; M367-L398 HydrophobicContact CE-CG 4.24Å
368	R	95.5	Very high	94.3	Very high	166 Å²	166	58.3 Å²	58.3	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-64.7	-36	177.1	-172.5	176.7	-175	169.4	2.4	112.2	L364 G365 L366 V370 E371 I372	L364-R368 VanDerWaalsContact O-CB 3.32Å; L364-R368 WeakPolarHBondContact O-CB 3.42Å; L364-R368 PolarHBondContact O-N 3.12Å; G365-R368 PolarHBondContact O-N 3.01Å; L366-R368 VanDerWaalsContact C-N 3.35Å; L366-R368 PolarHBondContact O-N 3.23Å; R368-V370 VanDerWaalsContact C-N 3.31Å; R368-V370 PolarHBondContact O-N 2.96Å; R368-E371 PolarHBondContact O-N 2.97Å; R368-I372 HydrophobicContact CG-CD1 3.8Å; R368-I372 HydrophobicContact CG-CG1 4.25Å; R368-I372 WeakPolarHBondContact O-CB 3.29Å; R368-I372 VanDerWaalsContact O-CG1 3.29Å; R368-I372 WeakPolarHBondContact O-CG1 3.45Å; R368-I372 PolarHBondContact O-N 3.19Å
369	A	96.3	Very high	94.5	Very high	14 Å²	14	63.6 Å²	63.6	12%	0.116	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-43.1	174.9	0	0	0	0	0	111	I334 L335 G365 L366 M367 W373	I334-A369 HydrophobicContact CG2-CB 4.15Å; L335-A369 HydrophobicContact CD2-CB 4.21Å; G365-A369 PolarHBondContact O-N 2.74Å; L366-A369 WeakPolarHBondContact O-CB 3.41Å; L366-A369 PolarHBondContact O-N 3.11Å; M367-A369 VanDerWaalsContact C-N 3.32Å; M367-A369 PolarHBondContact O-N 3.49Å; A369-W373 VanDerWaalsContact O-CB 3.25Å; A369-W373 WeakPolarHBondContact O-CB 3.16Å; A369-W373 PolarHBondContact O-N 3.2Å
370	V	96.6	Very high	94.6	Very high	10 Å²	10	65.5 Å²	65.5	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-44.8	174.2	179.9	0	0	0	0	111.4	L308 L331 L335 L366 M367 R368 W373 G374 T390 L394	L308-V370 HydrophobicContact CD1-CG2 3.97Å; L308-V370 HydrophobicContact CD2-CG2 4.02Å; L331-V370 HydrophobicContact CD1-CG2 4.16Å; L331-V370 HydrophobicContact CD2-CG2 4.48Å; L335-V370 HydrophobicContact CD1-CG2 4.3Å; L335-V370 HydrophobicContact CD2-CG2 4.24Å; L366-V370 WeakPolarHBondContact O-CG2 3.29Å; L366-V370 PolarHBondContact O-N 3.4Å; M367-V370 WeakPolarHBondContact O-CB 3.35Å; M367-V370 PolarHBondContact O-N 2.87Å; R368-V370 VanDerWaalsContact C-N 3.31Å; R368-V370 PolarHBondContact O-N 2.96Å; V370-W373 PolarHBondContact O-N 3.24Å; V370-G374 PolarHBondContact O-N 3.46Å; V370-T390 HydrophobicContact CG1-CG2 4.1Å; V370-L394 HydrophobicContact CB-CD2 4.4Å; V370-L394 HydrophobicContact CG1-CD2 4.34Å
371	E	95.6	Very high	94.7	Very high	91 Å²	91	65 Å²	65	43%	0.425	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-47.3	178.4	-68.7	-177.3	148.5	0	0	112.7	M367 R368 G374 Q375 T390 L394	M367-E371 PolarHBondContact O-N 3.47Å; R368-E371 PolarHBondContact O-N 2.97Å; E371-G374 PolarHBondContact O-N 3.5Å; E371-Q375 VanDerWaalsContact O-CG 3.29Å; E371-Q375 WeakPolarHBondContact O-CG 3.24Å; E371-Q375 PolarHBondContact O-N 2.95Å; E371-T390 HydrophobicContact CG-CG2 4.22Å; E371-L394 HydrophobicContact CG-CD1 3.37Å
372	I	96.3	Very high	94.8	Very high	93 Å²	93	60.3 Å²	60.3	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-45.9	179.2	-70.2	170.9	0	0	0	109.9	R368 Q375 S376	R368-I372 HydrophobicContact CG-CD1 3.8Å; R368-I372 HydrophobicContact CG-CG1 4.25Å; R368-I372 WeakPolarHBondContact O-CB 3.29Å; R368-I372 VanDerWaalsContact O-CG1 3.29Å; R368-I372 WeakPolarHBondContact O-CG1 3.45Å; R368-I372 PolarHBondContact O-N 3.19Å; I372-Q375 PolarHBondContact O-N 3.34Å; I372-S376 PolarHBondContact O-N 3Å
373	W	97.3	Very high	95	Very high	15 Å²	15	61 Å²	61	6%	0.057	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-50.5	175.9	168.1	81.7	0	0	0	111.1	E327 L328 L331 A369 V370 Q375 S376 L377 F382 V386	E327-W373 HydrophobicContact CB-CZ2 4.07Å; E327-W373 PolarHBondContact O-NE1 3.07Å; L328-W373 HydrophobicContact CD2-CH2 3.52Å; L328-W373 HydrophobicContact CD2-CZ2 3.89Å; L328-W373 HydrophobicContact CD2-CZ3 4.49Å; L328-W373 HydrophobicContact CG-CH2 4.35Å; L328-W373 HydrophobicContact CG-CZ2 4.34Å; L331-W373 HydrophobicContact CB-CD2 3.92Å; L331-W373 HydrophobicContact CB-CG 4.08Å; L331-W373 HydrophobicContact CB-CZ2 4.26Å; L331-W373 HydrophobicContact CD1-CB 3.96Å; L331-W373 HydrophobicContact CD1-CD2 4.11Å; L331-W373 HydrophobicContact CD1-CE3 4.36Å; L331-W373 HydrophobicContact CD1-CG 3.93Å; L331-W373 HydrophobicContact CD2-CD2 3.85Å; L331-W373 HydrophobicContact CD2-CE3 3.57Å; L331-W373 HydrophobicContact CD2-CH2 4.1Å; L331-W373 HydrophobicContact CD2-CZ2 4.36Å; L331-W373 HydrophobicContact CD2-CZ3 3.68Å; L331-W373 HydrophobicContact CG-CD2 4.17Å; L331-W373 HydrophobicContact CG-CE3 4.35Å; L331-W373 HydrophobicContact CG-CG 4.39Å; A369-W373 VanDerWaalsContact O-CB 3.25Å; A369-W373 WeakPolarHBondContact O-CB 3.16Å; A369-W373 PolarHBondContact O-N 3.2Å; V370-W373 PolarHBondContact O-N 3.24Å; W373-Q375 VanDerWaalsContact C-N 3.27Å; W373-Q375 PolarHBondContact O-N 2.96Å; W373-S376 WeakPolarHBondContact O-CB 3.42Å; W373-S376 PolarHBondContact O-N 2.93Å; W373-S376 PolarHBondContact O-OG 3.38Å; W373-L377 HydrophobicContact CH2-CD1 4.05Å; W373-L377 HydrophobicContact CZ2-CD1 4.17Å; W373-L377 HydrophobicContact CZ2-CD2 3.92Å; W373-L377 HydrophobicContact CZ2-CG 4.48Å; W373-L377 HydrophobicContact CZ3-CD1 4.32Å; W373-L377 PolarHBondContact O-N 2.92Å; W373-F382 HydrophobicContact CH2-CZ 4.15Å; W373-F382 HydrophobicContact CZ2-CE1 4.43Å; W373-F382 HydrophobicContact CZ2-CZ 4.35Å; W373-V386 HydrophobicContact CE3-CG1 4.22Å; W373-V386 HydrophobicContact CH2-CG1 3.92Å; W373-V386 HydrophobicContact CH2-CG2 4.01Å; W373-V386 HydrophobicContact CZ3-CG1 3.39Å; W373-V386 HydrophobicContact CZ3-CG2 4.31Å
374	G	95.7	Very high	95.1	Very high	10 Å²	10	65.6 Å²	65.6	10%	0.103	36%	0.359	C	S	.	.	H	α-helix	trans	-61	-34.3	-179.6	0	0	0	0	0	113.3	V370 E371	V370-G374 PolarHBondContact O-N 3.46Å; E371-G374 PolarHBondContact O-N 3.5Å
375	Q	95.1	Very high	95.2	Very high	142 Å²	142	61.1 Å²	61.1	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-69.9	-32.2	174.3	-71.6	172.2	17.1	0	0	112.9	E371 I372 W373 L377 K383	E371-Q375 VanDerWaalsContact O-CG 3.29Å; E371-Q375 WeakPolarHBondContact O-CG 3.24Å; E371-Q375 PolarHBondContact O-N 2.95Å; I372-Q375 PolarHBondContact O-N 3.34Å; W373-Q375 VanDerWaalsContact C-N 3.27Å; W373-Q375 PolarHBondContact O-N 2.96Å; Q375-L377 VanDerWaalsContact C-N 3.31Å; Q375-L377 PolarHBondContact O-N 2.97Å; Q375-K383 PolarHBondContact O-NZ 3.46Å
376	S	95.8	Very high	95.2	Very high	83 Å²	83	60 Å²	60	58%	0.58	32%	0.323	S	S	*	.	H	α-helix	trans	-76	-14.9	-178.2	76.4	0	0	0	0	114.4	I372 W373	I372-S376 PolarHBondContact O-N 3Å; W373-S376 WeakPolarHBondContact O-CB 3.42Å; W373-S376 PolarHBondContact O-N 2.93Å; W373-S376 PolarHBondContact O-OG 3.38Å
377	L	96.6	Very high	95.2	Very high	9 Å²	9	62.3 Å²	62.3	5%	0.047	34%	0.34	C	S	.	.	S	Bend	trans	-59.8	149.1	178.1	-64.7	176.6	0	0	0	112	E327 W373 Q375 F382 K383 V386	E327-L377 HydrophobicContact CB-CD2 3.76Å; E327-L377 HydrophobicContact CG-CD2 3.74Å; W373-L377 HydrophobicContact CH2-CD1 4.05Å; W373-L377 HydrophobicContact CZ2-CD1 4.17Å; W373-L377 HydrophobicContact CZ2-CD2 3.92Å; W373-L377 HydrophobicContact CZ2-CG 4.48Å; W373-L377 HydrophobicContact CZ3-CD1 4.32Å; W373-L377 PolarHBondContact O-N 2.92Å; Q375-L377 VanDerWaalsContact C-N 3.31Å; Q375-L377 PolarHBondContact O-N 2.97Å; L377-F382 HydrophobicContact CD1-CD1 4.14Å; L377-F382 HydrophobicContact CD1-CE1 3.82Å; L377-F382 HydrophobicContact CD2-CE1 4.01Å; L377-K383 HydrophobicContact CB-CB 4.02Å; L377-K383 HydrophobicContact CB-CD 4.18Å; L377-K383 HydrophobicContact CB-CG 3.99Å; L377-K383 HydrophobicContact CD1-CB 4.47Å; L377-K383 WeakPolarHBondContact O-CD 3.34Å; L377-K383 VanDerWaalsContact O-CE 3.3Å; L377-K383 WeakPolarHBondContact O-CE 3.33Å; L377-K383 PolarHBondContact O-NZ 2.95Å; L377-V386 HydrophobicContact CD1-CB 3.96Å; L377-V386 HydrophobicContact CD1-CG1 3.79Å; L377-V386 HydrophobicContact CD1-CG2 4.04Å
378	E	95	Very high	95.2	Very high	173 Å²	173	64.1 Å²	64.1	81%	0.808	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-64.1	145.7	171.8	-64.4	-172.1	171.1	0	0	111.2	G380 K383	E378-G380 PolarHBondContact O-N 3.41Å; E378-K383 VanDerWaalsContact O-CB 3.27Å; E378-K383 WeakPolarHBondContact O-CB 3.31Å; E378-K383 WeakPolarHBondContact O-CD 3.24Å
379	D	94.6	Very high	95.1	Very high	144 Å²	144	57 Å²	57	77%	0.77	32%	0.321	S	S	*	.	S	Bend	trans	-66	128.7	-179.1	-69.1	-25	0	0	0	111.2	K383	D379-K383 WeakPolarHBondContact OD1-CD 3.38Å; D379-K383 IonicContact OD1-NZ 3.5Å; D379-K383 PolarHBondContact OD1-NZ 2.72Å
380	G	93.4	Very high	94.9	Very high	40 Å²	40	57.3 Å²	57.3	41%	0.412	32%	0.322	S	S	.	.	S	Bend	trans	169.8	-172.6	-177.7	0	0	0	0	0	113.4	E378 T384	E378-G380 PolarHBondContact O-N 3.41Å; G380-T384 PolarHBondContact O-N 2.95Å; G380-T384 VanDerWaalsContact O-N 3.09Å; G380-T384 PolarHBondContact O-OG1 3.22Å
381	A	92	Very high	94.7	Very high	63 Å²	63	63.9 Å²	63.9	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-45.3	179	0	0	0	0	0	111.6	K383 T384 S385	A381-K383 PolarHBondContact O-N 3.03Å; A381-T384 WeakPolarHBondContact O-CB 3Å; A381-T384 PolarHBondContact O-N 2.78Å; A381-T384 VanDerWaalsContact O-N 3.09Å; A381-S385 PolarHBondContact O-N 3.48Å; A381-S385 PolarHBondContact O-OG 3.44Å
382	F	94.1	Very high	94.6	Very high	35 Å²	35	62.1 Å²	62.1	15%	0.154	34%	0.341	C	S	.	.	H	α-helix	trans	-58.4	-50.3	179	178.7	-120.1	0	0	0	112.6	L154 I319 A324 E327 L328 W373 L377 T384 S385 V386	L154-F382 HydrophobicContact CD2-CD2 4.44Å; I319-F382 HydrophobicContact CD1-CD2 4.04Å; I319-F382 HydrophobicContact CD1-CE2 3.5Å; I319-F382 HydrophobicContact CD1-CZ 4.43Å; A324-F382 HydrophobicContact CB-CB 4.34Å; A324-F382 HydrophobicContact CB-CD1 3.66Å; A324-F382 HydrophobicContact CB-CD2 3.74Å; A324-F382 HydrophobicContact CB-CE1 3.81Å; A324-F382 HydrophobicContact CB-CE2 3.91Å; A324-F382 HydrophobicContact CB-CG 3.63Å; A324-F382 HydrophobicContact CB-CZ 3.94Å; E327-F382 HydrophobicContact CB-CE1 4.21Å; L328-F382 HydrophobicContact CD1-CE2 4.22Å; L328-F382 HydrophobicContact CD1-CZ 4.11Å; L328-F382 HydrophobicContact CD2-CZ 4.26Å; L328-F382 HydrophobicContact CG-CZ 3.92Å; W373-F382 HydrophobicContact CH2-CZ 4.15Å; W373-F382 HydrophobicContact CZ2-CE1 4.43Å; W373-F382 HydrophobicContact CZ2-CZ 4.35Å; L377-F382 HydrophobicContact CD1-CD1 4.14Å; L377-F382 HydrophobicContact CD1-CE1 3.82Å; L377-F382 HydrophobicContact CD2-CE1 4.01Å; F382-T384 VanDerWaalsContact C-N 3.26Å; F382-T384 PolarHBondContact O-N 3.39Å; F382-S385 PolarHBondContact O-N 3.28Å; F382-V386 HydrophobicContact CD2-CG2 4Å; F382-V386 HydrophobicContact CE1-CG2 4.1Å; F382-V386 HydrophobicContact CE2-CG2 3.5Å; F382-V386 VanDerWaalsContact CE2-CG2 3.5Å; F382-V386 HydrophobicContact CG-CG2 4.47Å; F382-V386 HydrophobicContact CZ-CG2 3.56Å; F382-V386 WeakPolarHBondContact O-CB 3.28Å; F382-V386 WeakPolarHBondContact O-CG2 3.45Å; F382-V386 PolarHBondContact O-N 3.12Å
383	K	95.6	Very high	94.4	Very high	47 Å²	47	58.3 Å²	58.3	20%	0.204	32%	0.322	C	S	.	.	H	α-helix	trans	-59.3	-36.5	174.9	-178.4	-179.5	-167.2	168.2	0	112.6	Q375 L377 E378 D379 A381 S387	Q375-K383 PolarHBondContact O-NZ 3.46Å; L377-K383 HydrophobicContact CB-CB 4.02Å; L377-K383 HydrophobicContact CB-CD 4.18Å; L377-K383 HydrophobicContact CB-CG 3.99Å; L377-K383 HydrophobicContact CD1-CB 4.47Å; L377-K383 WeakPolarHBondContact O-CD 3.34Å; L377-K383 VanDerWaalsContact O-CE 3.3Å; L377-K383 WeakPolarHBondContact O-CE 3.33Å; L377-K383 PolarHBondContact O-NZ 2.95Å; E378-K383 VanDerWaalsContact O-CB 3.27Å; E378-K383 WeakPolarHBondContact O-CB 3.31Å; E378-K383 WeakPolarHBondContact O-CD 3.24Å; D379-K383 WeakPolarHBondContact OD1-CD 3.38Å; D379-K383 IonicContact OD1-NZ 3.5Å; D379-K383 PolarHBondContact OD1-NZ 2.72Å; A381-K383 PolarHBondContact O-N 3.03Å; K383-S387 WeakPolarHBondContact O-CB 3.45Å; K383-S387 PolarHBondContact O-N 3.17Å
384	T	95.1	Very high	94.2	Very high	100 Å²	100	58.1 Å²	58.1	61%	0.613	32%	0.322	S	S	*	.	H	α-helix	trans	-63.6	-48.9	177.3	-57.5	0	0	0	0	111	G380 A381 F382 S387 F388	G380-T384 PolarHBondContact O-N 2.95Å; G380-T384 VanDerWaalsContact O-N 3.09Å; G380-T384 PolarHBondContact O-OG1 3.22Å; A381-T384 WeakPolarHBondContact O-CB 3Å; A381-T384 PolarHBondContact O-N 2.78Å; A381-T384 VanDerWaalsContact O-N 3.09Å; F382-T384 VanDerWaalsContact C-N 3.26Å; F382-T384 PolarHBondContact O-N 3.39Å; T384-S387 PolarHBondContact O-N 3.41Å; T384-F388 PolarHBondContact O-N 2.83Å
385	S	94.7	Very high	94	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-48.1	175.7	-66.7	0	0	0	0	111.9	A381 F382 S387 F388 L389	A381-S385 PolarHBondContact O-N 3.48Å; A381-S385 PolarHBondContact O-OG 3.44Å; F382-S385 PolarHBondContact O-N 3.28Å; S385-S387 PolarHBondContact O-N 2.89Å; S385-F388 PolarHBondContact O-N 3.26Å; S385-L389 WeakPolarHBondContact O-CG 3.41Å; S385-L389 PolarHBondContact O-N 2.58Å
386	V	94.4	Very high	93.9	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-42.7	177	167.7	0	0	0	0	111.9	W373 L377 F382 F388 L389 T390	W373-V386 HydrophobicContact CE3-CG1 4.22Å; W373-V386 HydrophobicContact CH2-CG1 3.92Å; W373-V386 HydrophobicContact CH2-CG2 4.01Å; W373-V386 HydrophobicContact CZ3-CG1 3.39Å; W373-V386 HydrophobicContact CZ3-CG2 4.31Å; L377-V386 HydrophobicContact CD1-CB 3.96Å; L377-V386 HydrophobicContact CD1-CG1 3.79Å; L377-V386 HydrophobicContact CD1-CG2 4.04Å; F382-V386 HydrophobicContact CD2-CG2 4Å; F382-V386 HydrophobicContact CE1-CG2 4.1Å; F382-V386 HydrophobicContact CE2-CG2 3.5Å; F382-V386 VanDerWaalsContact CE2-CG2 3.5Å; F382-V386 HydrophobicContact CG-CG2 4.47Å; F382-V386 HydrophobicContact CZ-CG2 3.56Å; F382-V386 WeakPolarHBondContact O-CB 3.28Å; F382-V386 WeakPolarHBondContact O-CG2 3.45Å; F382-V386 PolarHBondContact O-N 3.12Å; V386-F388 VanDerWaalsContact C-N 3.32Å; V386-F388 PolarHBondContact O-N 3.39Å; V386-L389 PolarHBondContact O-N 3.33Å; V386-T390 VanDerWaalsContact O-CB 3.28Å; V386-T390 WeakPolarHBondContact O-CB 3.28Å; V386-T390 PolarHBondContact O-N 3.33Å; V386-T390 PolarHBondContact O-OG1 3.1Å
387	S	94.7	Very high	93.7	Very high	49 Å²	49	51.6 Å²	51.6	34%	0.343	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-41.9	178.2	-174.6	0	0	0	0	111.3	K383 T384 S385 K391	K383-S387 WeakPolarHBondContact O-CB 3.45Å; K383-S387 PolarHBondContact O-N 3.17Å; T384-S387 PolarHBondContact O-N 3.41Å; S385-S387 PolarHBondContact O-N 2.89Å; S387-K391 WeakPolarHBondContact O-CB 3.37Å; S387-K391 VanDerWaalsContact O-CG 3.25Å; S387-K391 WeakPolarHBondContact O-CG 3.45Å; S387-K391 PolarHBondContact O-N 3.45Å
388	F	94.6	Very high	93.2	Very high	47 Å²	47	55.4 Å²	55.4	21%	0.206	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-53.3	173.5	175.1	-91	0	0	0	111.3	V158 L161 A162 T384 S385 V386 T390 K391 Q392	V158-F388 HydrophobicContact CG1-CB 4.43Å; V158-F388 HydrophobicContact CG1-CD1 3.7Å; V158-F388 HydrophobicContact CG1-CE1 4.23Å; V158-F388 HydrophobicContact CG1-CG 4.14Å; L161-F388 HydrophobicContact CB-CE1 3.71Å; L161-F388 HydrophobicContact CB-CZ 4.18Å; A162-F388 HydrophobicContact CB-CE2 4.07Å; A162-F388 HydrophobicContact CB-CZ 3.96Å; T384-F388 PolarHBondContact O-N 2.83Å; S385-F388 PolarHBondContact O-N 3.26Å; V386-F388 VanDerWaalsContact C-N 3.32Å; V386-F388 PolarHBondContact O-N 3.39Å; F388-T390 VanDerWaalsContact C-N 3.34Å; F388-T390 PolarHBondContact O-N 2.96Å; F388-K391 PolarHBondContact O-N 2.96Å; F388-Q392 HydrophobicContact CD1-CG 4.33Å; F388-Q392 HydrophobicContact CD2-CG 4.47Å; F388-Q392 HydrophobicContact CE1-CG 3.85Å; F388-Q392 HydrophobicContact CE2-CG 4.02Å; F388-Q392 HydrophobicContact CZ-CG 3.67Å; F388-Q392 WeakPolarHBondContact O-CG 3.13Å; F388-Q392 PolarHBondContact O-N 2.54Å; F388-Q392 VanDerWaalsContact O-N 3.12Å
389	L	93.3	Very high	92.9	Very high	16 Å²	16	53.5 Å²	53.5	8%	0.084	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-47	-178.8	-72.9	173	0	0	0	111.7	L154 V158 L161 T315 S385 V386 K391 Q392 V393	L154-L389 HydrophobicContact CD1-CD1 4.13Å; V158-L389 HydrophobicContact CG2-CD1 4.23Å; V158-L389 HydrophobicContact CG2-CD2 4.23Å; V158-L389 HydrophobicContact CG2-CG 4.1Å; L161-L389 HydrophobicContact CD1-CD2 3.54Å; T315-L389 HydrophobicContact CG2-CD1 4.43Å; S385-L389 WeakPolarHBondContact O-CG 3.41Å; S385-L389 PolarHBondContact O-N 2.58Å; V386-L389 PolarHBondContact O-N 3.33Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.15Å; L389-Q392 PolarHBondContact O-N 3.16Å; L389-Q392 VanDerWaalsContact O-N 3.16Å; L389-V393 VanDerWaalsContact O-CB 3.24Å; L389-V393 WeakPolarHBondContact O-CB 3.2Å; L389-V393 VanDerWaalsContact O-CG2 3.23Å; L389-V393 WeakPolarHBondContact O-CG2 3.29Å; L389-V393 PolarHBondContact O-N 3.4Å
390	T	92.9	Very high	92.7	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.135	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-44.8	179.6	-55.9	0	0	0	0	111.1	V370 E371 V386 F388 Q392 L394	V370-T390 HydrophobicContact CG1-CG2 4.1Å; E371-T390 HydrophobicContact CG-CG2 4.22Å; V386-T390 VanDerWaalsContact O-CB 3.28Å; V386-T390 WeakPolarHBondContact O-CB 3.28Å; V386-T390 PolarHBondContact O-N 3.33Å; V386-T390 PolarHBondContact O-OG1 3.1Å; F388-T390 VanDerWaalsContact C-N 3.34Å; F388-T390 PolarHBondContact O-N 2.96Å; T390-Q392 VanDerWaalsContact C-N 3.29Å; T390-Q392 PolarHBondContact O-N 3.23Å; T390-L394 HydrophobicContact CG2-CD1 3.39Å; T390-L394 HydrophobicContact CG2-CG 3.82Å; T390-L394 WeakPolarHBondContact O-CB 3.21Å; T390-L394 VanDerWaalsContact O-CG 3.27Å; T390-L394 WeakPolarHBondContact O-CG 3.48Å; T390-L394 PolarHBondContact O-N 3.21Å; T390-L394 VanDerWaalsContact O-N 3.12Å
391	K	92.8	Very high	92.4	Very high	148 Å²	148	48.2 Å²	48.2	64%	0.643	25%	0.254	S	S	*	.	H	α-helix	trans	-63.1	-33	178.2	-76	173.5	-178.4	174.8	0	113.5	S387 F388 L389 P395	S387-K391 WeakPolarHBondContact O-CB 3.37Å; S387-K391 VanDerWaalsContact O-CG 3.25Å; S387-K391 WeakPolarHBondContact O-CG 3.45Å; S387-K391 PolarHBondContact O-N 3.45Å; F388-K391 PolarHBondContact O-N 2.96Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.15Å; K391-P395 VanDerWaalsContact O-CD 3.25Å; K391-P395 WeakPolarHBondContact O-CD 3.5Å; K391-P395 WeakPolarHBondContact O-CG 3.43Å
392	Q	92.1	Very high	92.4	Very high	53 Å²	53	45.7 Å²	45.7	25%	0.248	23%	0.232	C	C	.	.	H	α-helix	trans	-83.9	-48.8	179.2	-62.1	-58.2	-19.1	0	0	111.9	F170 F388 L389 T390 L396	F170-Q392 HydrophobicContact CE1-CB 4.27Å; F388-Q392 HydrophobicContact CD1-CG 4.33Å; F388-Q392 HydrophobicContact CD2-CG 4.47Å; F388-Q392 HydrophobicContact CE1-CG 3.85Å; F388-Q392 HydrophobicContact CE2-CG 4.02Å; F388-Q392 HydrophobicContact CZ-CG 3.67Å; F388-Q392 WeakPolarHBondContact O-CG 3.13Å; F388-Q392 PolarHBondContact O-N 2.54Å; F388-Q392 VanDerWaalsContact O-N 3.12Å; L389-Q392 PolarHBondContact O-N 3.16Å; L389-Q392 VanDerWaalsContact O-N 3.16Å; T390-Q392 VanDerWaalsContact C-N 3.29Å; T390-Q392 PolarHBondContact O-N 3.23Å; Q392-L396 WeakPolarHBondContact O-CD1 3.24Å; Q392-L396 VanDerWaalsContact O-CG 3.23Å; Q392-L396 WeakPolarHBondContact O-CG 3.47Å
393	V	92	Very high	92.3	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-43.9	-171.4	170.7	0	0	0	0	111.8	I175 L311 L389 L396 I397	I175-V393 HydrophobicContact CD1-CG2 3.8Å; I175-V393 HydrophobicContact CG1-CG2 4.01Å; I175-V393 HydrophobicContact CG2-CG2 3.87Å; L311-V393 HydrophobicContact CD1-CG1 3.46Å; L311-V393 VanDerWaalsContact CD1-CG1 3.46Å; L311-V393 HydrophobicContact CD1-CG2 4.34Å; L389-V393 VanDerWaalsContact O-CB 3.24Å; L389-V393 WeakPolarHBondContact O-CB 3.2Å; L389-V393 VanDerWaalsContact O-CG2 3.23Å; L389-V393 WeakPolarHBondContact O-CG2 3.29Å; L389-V393 PolarHBondContact O-N 3.4Å; V393-L396 WeakPolarHBondContact O-CB 3.22Å; V393-L396 PolarHBondContact O-N 2.83Å; V393-L396 VanDerWaalsContact O-N 3.1Å; V393-I397 HydrophobicContact CG1-CD1 3.61Å; V393-I397 HydrophobicContact CG1-CG1 3.99Å; V393-I397 WeakPolarHBondContact O-CG1 3.28Å; V393-I397 PolarHBondContact O-N 3.35Å
394	L	92.9	Very high	92.2	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-46.9	-171	-66	-173.7	0	0	0	113.2	L308 M367 V370 E371 T390 L396 I397 L398	L308-L394 HydrophobicContact CD2-CD2 4.09Å; M367-L394 HydrophobicContact CB-CD2 4.4Å; M367-L394 VanDerWaalsContact CE-CA 3.44Å; M367-L394 HydrophobicContact CE-CB 3.57Å; M367-L394 HydrophobicContact CE-CD2 3.38Å; M367-L394 HydrophobicContact CE-CG 3.98Å; M367-L394 WeakPolarHBondContact CE-O 3.31Å; M367-L394 HydrophobicContact SD-CD2 3.54Å; M367-L394 VanDerWaalsContact SD-CD2 3.54Å; V370-L394 HydrophobicContact CB-CD2 4.4Å; V370-L394 HydrophobicContact CG1-CD2 4.34Å; E371-L394 HydrophobicContact CG-CD1 3.37Å; T390-L394 HydrophobicContact CG2-CD1 3.39Å; T390-L394 HydrophobicContact CG2-CG 3.82Å; T390-L394 WeakPolarHBondContact O-CB 3.21Å; T390-L394 VanDerWaalsContact O-CG 3.27Å; T390-L394 WeakPolarHBondContact O-CG 3.48Å; T390-L394 PolarHBondContact O-N 3.21Å; T390-L394 VanDerWaalsContact O-N 3.12Å; L394-L396 VanDerWaalsContact C-N 3.28Å; L394-L396 PolarHBondContact O-N 3.38Å; L394-I397 PolarHBondContact O-N 3.25Å; L394-L398 PolarHBondContact O-N 2.99Å
395	P	92.4	Very high	92.1	Very high	76 Å²	76	37.4 Å²	37.4	49%	0.494	19%	0.188	S	C	.	.	H	α-helix	trans	-61.3	-36.3	173.7	-23.8	35.1	0	0	0	113.2	K391 L398 K399	K391-P395 VanDerWaalsContact O-CD 3.25Å; K391-P395 WeakPolarHBondContact O-CD 3.5Å; K391-P395 WeakPolarHBondContact O-CG 3.43Å; P395-L398 PolarHBondContact O-N 3.1Å; P395-K399 PolarHBondContact O-N 3.4Å
396	L	92.8	Very high	92.2	Very high	18 Å²	18	37.2 Å²	37.2	9%	0.094	19%	0.186	C	C	.	.	H	α-helix	trans	-69.4	-35.3	-179.3	-68.9	177.5	0	0	0	112.6	F170 L172 I175 Q392 V393 L394 L398 K399 W400	F170-L396 HydrophobicContact CD1-CD1 3.94Å; F170-L396 HydrophobicContact CE1-CD1 3.64Å; F170-L396 HydrophobicContact CZ-CD1 4.43Å; L172-L396 HydrophobicContact CD2-CB 3.7Å; L172-L396 HydrophobicContact CG-CB 3.91Å; I175-L396 HydrophobicContact CG1-CD1 4.33Å; Q392-L396 WeakPolarHBondContact O-CD1 3.24Å; Q392-L396 VanDerWaalsContact O-CG 3.23Å; Q392-L396 WeakPolarHBondContact O-CG 3.47Å; V393-L396 WeakPolarHBondContact O-CB 3.22Å; V393-L396 PolarHBondContact O-N 2.83Å; V393-L396 VanDerWaalsContact O-N 3.1Å; L394-L396 VanDerWaalsContact C-N 3.28Å; L394-L396 PolarHBondContact O-N 3.38Å; L396-L398 VanDerWaalsContact C-N 3.31Å; L396-L398 PolarHBondContact O-N 3.28Å; L396-K399 PolarHBondContact O-N 3.44Å; L396-W400 PolarHBondContact O-N 2.93Å
397	I	90.8	Very high	92.2	Very high	5 Å²	5	37 Å²	37	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-43.6	172.5	-69.5	175.6	0	0	0	110.7	L172 V304 V307 L308 M367 V393 L394 W400	L172-I397 HydrophobicContact CD2-CG1 3.95Å; V304-I397 HydrophobicContact CB-CG2 4.21Å; V304-I397 HydrophobicContact CG1-CG2 4.25Å; V304-I397 HydrophobicContact CG2-CG2 3.72Å; V307-I397 HydrophobicContact CB-CD1 4.46Å; V307-I397 HydrophobicContact CG1-CD1 3.88Å; V307-I397 HydrophobicContact CG1-CG1 3.92Å; L308-I397 HydrophobicContact CD2-CD1 3.56Å; L308-I397 HydrophobicContact CG-CD1 3.94Å; M367-I397 HydrophobicContact CE-CB 3.84Å; M367-I397 HydrophobicContact CE-CD1 4.27Å; M367-I397 HydrophobicContact CE-CG2 4Å; M367-I397 HydrophobicContact SD-CD1 4.35Å; M367-I397 HydrophobicContact SD-CG2 4.26Å; V393-I397 HydrophobicContact CG1-CD1 3.61Å; V393-I397 HydrophobicContact CG1-CG1 3.99Å; V393-I397 WeakPolarHBondContact O-CG1 3.28Å; V393-I397 PolarHBondContact O-N 3.35Å; L394-I397 PolarHBondContact O-N 3.25Å; I397-W400 PolarHBondContact O-N 3.2Å
398	L	86	Confident	92.3	Very high	88 Å²	88	34.8 Å²	34.8	46%	0.461	17%	0.169	S	C	.	.	H	α-helix	trans	-69.6	-35.1	177.9	-64.8	178.4	0	0	0	112.5	M367 L394 P395 L396 W400	M367-L398 HydrophobicContact CE-CG 4.24Å; L394-L398 PolarHBondContact O-N 2.99Å; P395-L398 PolarHBondContact O-N 3.1Å; L396-L398 VanDerWaalsContact C-N 3.31Å; L396-L398 PolarHBondContact O-N 3.28Å; L398-W400 VanDerWaalsContact C-N 3.3Å
399	K	89.6	Confident	92.3	Very high	133 Å²	133	32.5 Å²	32.5	58%	0.578	16%	0.159	S	C	*	.	H	α-helix	trans	-68.6	-31.7	175.4	-162.2	-177.8	-172	-162.7	0	111.9	P395 L396 E401	P395-K399 PolarHBondContact O-N 3.4Å; L396-K399 PolarHBondContact O-N 3.44Å; K399-E401 VanDerWaalsContact C-N 3.29Å; K399-E401 HydrophobicContact CD-CB 4.22Å; K399-E401 VanDerWaalsContact CD-OE2 3.28Å; K399-E401 WeakPolarHBondContact CD-OE2 3.37Å; K399-E401 WeakPolarHBondContact CE-OE2 3.41Å; K399-E401 HydrophobicContact CG-CB 4.21Å; K399-E401 IonicContact NZ-OE2 2.88Å; K399-E401 PolarHBondContact NZ-OE2 3.1Å; K399-E401 PolarHBondContact O-N 2.67Å
400	W	89.5	Confident	92.5	Very high	40 Å²	40	33.6 Å²	33.6	15%	0.152	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	42.9	-178.4	-162.1	-105.6	0	0	0	114	L172 R303 V307 L396 I397 L398 W402	L172-W400 HydrophobicContact CD1-CE3 4Å; L172-W400 HydrophobicContact CD1-CZ3 4.2Å; R303-W400 HydrophobicContact CB-CE3 4.35Å; R303-W400 HydrophobicContact CB-CH2 3.78Å; R303-W400 HydrophobicContact CB-CZ2 4.27Å; R303-W400 HydrophobicContact CB-CZ3 3.81Å; R303-W400 HydrophobicContact CG-CH2 3.86Å; R303-W400 HydrophobicContact CG-CZ2 3.88Å; R303-W400 HydrophobicContact CG-CZ3 4.32Å; V307-W400 HydrophobicContact CG2-CH2 3.63Å; V307-W400 HydrophobicContact CG2-CZ3 3.54Å; L396-W400 PolarHBondContact O-N 2.93Å; I397-W400 PolarHBondContact O-N 3.2Å; L398-W400 VanDerWaalsContact C-N 3.3Å; W400-W402 AromaticContact CD2-NE1 3.82Å; W400-W402 AromaticContact CE2-NE1 3.71Å; W400-W402 HydrophobicContact CH2-CZ2 4.3Å; W400-W402 AromaticContact CZ2-NE1 3.83Å; W400-W402 HydrophobicContact CZ3-CZ2 4.5Å
401	E	88.3	Confident	92.5	Very high	33 Å²	33	35.4 Å²	35.4	15%	0.154	17%	0.17	C	C	.	.			trans	-102.7	137.2	-179	-170.6	174.3	-170.5	0	0	111.5	S171 L172 K399 T404	S171-E401 WeakPolarHBondContact CB-O 3.32Å; L172-E401 PolarHBondContact N-O 3.22Å; K399-E401 VanDerWaalsContact C-N 3.29Å; K399-E401 HydrophobicContact CD-CB 4.22Å; K399-E401 VanDerWaalsContact CD-OE2 3.28Å; K399-E401 WeakPolarHBondContact CD-OE2 3.37Å; K399-E401 WeakPolarHBondContact CE-OE2 3.41Å; K399-E401 HydrophobicContact CG-CB 4.21Å; K399-E401 IonicContact NZ-OE2 2.88Å; K399-E401 PolarHBondContact NZ-OE2 3.1Å; K399-E401 PolarHBondContact O-N 2.67Å; E401-T404 WeakPolarHBondContact CG-OG1 3.48Å; E401-T404 WeakPolarHBondContact OE1-CB 3.44Å; E401-T404 WeakPolarHBondContact OE1-CG2 3.48Å; E401-T404 PolarHBondContact OE1-OG1 3.06Å
402	W	91.5	Very high	92.4	Very high	11 Å²	11	29 Å²	29	4%	0.042	14%	0.142	C	C	.	.			trans	-145.5	136.6	-175.8	-64	84.3	0	0	0	110	L172 T173 W176 C274 L276 A277 V307 W400 T404 H428	L172-W402 HydrophobicContact CB-CD2 3.71Å; L172-W402 HydrophobicContact CB-CE3 3.85Å; L172-W402 HydrophobicContact CB-CG 4.46Å; L172-W402 HydrophobicContact CB-CH2 3.67Å; L172-W402 HydrophobicContact CB-CZ2 3.5Å; L172-W402 HydrophobicContact CB-CZ3 3.84Å; L172-W402 HydrophobicContact CD1-CD2 4.43Å; L172-W402 HydrophobicContact CD1-CH2 4.48Å; L172-W402 HydrophobicContact CD1-CZ2 3.56Å; L172-W402 HydrophobicContact CG-CZ2 4.13Å; T173-W402 WeakPolarHBondContact OG1-CA 3.24Å; W176-W402 HydrophobicContact CB-CH2 4.36Å; W176-W402 HydrophobicContact CB-CZ3 3.87Å; W176-W402 HydrophobicContact CG-CZ3 4.26Å; C274-W402 HydrophobicContact CB-CE3 3.65Å; C274-W402 HydrophobicContact CB-CZ3 3.94Å; L276-W402 HydrophobicContact CB-CH2 4.08Å; L276-W402 HydrophobicContact CB-CZ2 4.45Å; A277-W402 HydrophobicContact CB-CB 3.77Å; A277-W402 HydrophobicContact CB-CD2 3.5Å; A277-W402 VanDerWaalsContact CB-CD2 3.5Å; A277-W402 HydrophobicContact CB-CE3 4.03Å; A277-W402 HydrophobicContact CB-CG 3.38Å; V307-W402 HydrophobicContact CG2-CZ2 4.41Å; W400-W402 AromaticContact CD2-NE1 3.82Å; W400-W402 AromaticContact CE2-NE1 3.71Å; W400-W402 HydrophobicContact CH2-CZ2 4.3Å; W400-W402 AromaticContact CZ2-NE1 3.83Å; W400-W402 HydrophobicContact CZ3-CZ2 4.5Å; W402-T404 PolarHBondContact O-N 2.91Å; W402-T404 VanDerWaalsContact O-N 3.15Å; W402-H428 PolarHBondContact O-CD2 3.22Å
403	G	92.1	Very high	92.2	Very high	1 Å²	1	33 Å²	33	1%	0.01	16%	0.16	C	C	.	.			trans	68	15.1	166.1	0	0	0	0	0	115.2	T173 T405 L429	T173-G403 PolarHBondContact OG1-N 3.35Å; G403-T405 PolarHBondContact O-N 3.42Å; G403-T405 PolarHBondContact O-OG1 3.47Å; G403-L429 VanDerWaalsContact CA-O 3.31Å; G403-L429 WeakPolarHBondContact CA-O 3.44Å; G403-L429 PolarHBondContact O-N 3.42Å
404	T	93.3	Very high	92	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	122.7	178.7	-55.1	0	0	0	0	109.8	E401 W402 E426	E401-T404 WeakPolarHBondContact CG-OG1 3.48Å; E401-T404 WeakPolarHBondContact OE1-CB 3.44Å; E401-T404 WeakPolarHBondContact OE1-CG2 3.48Å; E401-T404 PolarHBondContact OE1-OG1 3.06Å; W402-T404 PolarHBondContact O-N 2.91Å; W402-T404 VanDerWaalsContact O-N 3.15Å; T404-E426 HydrophobicContact CG2-CB 4.23Å; T404-E426 HydrophobicContact CG2-CG 4.15Å
405	T	94.4	Very high	91.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.3	-176.6	-54.2	0	0	0	0	108.5	L247 M263 G403 N407 E426 F427	L247-T405 HydrophobicContact CD1-CG2 4.08Å; L247-T405 HydrophobicContact CG-CG2 4.42Å; M263-T405 HydrophobicContact CE-CG2 3.72Å; G403-T405 PolarHBondContact O-N 3.42Å; G403-T405 PolarHBondContact O-OG1 3.47Å; T405-N407 PolarHBondContact O-N 2.91Å; T405-E426 WeakPolarHBondContact O-CA 3.34Å; T405-F427 VanDerWaalsContact CB-CE1 3.46Å; T405-F427 HydrophobicContact CG2-CD1 4.34Å; T405-F427 HydrophobicContact CG2-CE1 3.58Å; T405-F427 PolarHBondContact N-O 2.89Å; T405-F427 WeakPolarHBondContact O-CD1 3.25Å; T405-F427 PolarHBondContact O-N 3.34Å
406	S	95.6	Very high	91.4	Very high	5 Å²	5	41 Å²	41	4%	0.035	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	133.1	175.4	-50.6	0	0	0	0	110.4	H169 G248 S249	H169-S406 PolarHBondContact NE2-OG 3.16Å; G248-S406 WeakPolarHBondContact O-CB 3.44Å; G248-S406 PolarHBondContact O-OG 3.36Å; S249-S406 WeakPolarHBondContact O-CB 3.31Å
407	N	95.6	Very high	91.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.2	C	C	.	.			trans	-88.2	111.8	-175.2	174.9	15.7	0	0	0	110.6	T405 L409 Y410 L421 K424 E425 F427	T405-N407 PolarHBondContact O-N 2.91Å; N407-L409 PolarHBondContact O-N 2.84Å; N407-L409 WeakPolarHBondContact OD1-CB 3.35Å; N407-L409 PolarHBondContact OD1-N 3.45Å; N407-Y410 WeakPolarHBondContact O-CB 3.36Å; N407-Y410 PolarHBondContact O-N 3.06Å; N407-L421 PolarHBondContact ND2-O 2.99Å; N407-K424 PolarHBondContact ND2-O 3.19Å; N407-E425 WeakPolarHBondContact CB-O 3.41Å; N407-E425 PolarHBondContact N-O 3.4Å; N407-F427 HydrophobicContact CB-CG 4.35Å
408	F	96.1	Very high	91.1	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.5	179.2	65.2	-93.4	0	0	0	113.8	I43 F226 F235 F240 V242 F251 F427	I43-F408 HydrophobicContact CD1-CD2 4.19Å; I43-F408 WeakPolarHBondContact CD1-O 3.26Å; I43-F408 HydrophobicContact CG1-CD2 4.26Å; I43-F408 HydrophobicContact CG2-CD2 4.18Å; I43-F408 HydrophobicContact CG2-CE2 4.25Å; F226-F408 AromaticContact CE2-CE1 3.86Å; F226-F408 HydrophobicContact CE2-CE1 3.86Å; F226-F408 HydrophobicContact CE2-CZ 4.42Å; F226-F408 HydrophobicContact CZ-CE1 4.09Å; F235-F408 HydrophobicContact CD2-CZ 4.03Å; F235-F408 HydrophobicContact CE2-CE1 4.42Å; F235-F408 HydrophobicContact CE2-CZ 4.3Å; F240-F408 HydrophobicContact CB-CE2 4.13Å; V242-F408 HydrophobicContact CG1-CB 3.76Å; V242-F408 HydrophobicContact CG1-CD1 4.23Å; V242-F408 HydrophobicContact CG1-CD2 3.49Å; V242-F408 VanDerWaalsContact CG1-CD2 3.49Å; V242-F408 HydrophobicContact CG1-CE2 4.07Å; V242-F408 HydrophobicContact CG1-CG 3.57Å; V242-F408 HydrophobicContact CG2-CD1 4.02Å; V242-F408 HydrophobicContact CG2-CE1 4.31Å; V242-F408 HydrophobicContact CG2-CG 4.2Å; F251-F408 WeakPolarHBondContact CB-O 3.39Å; F251-F408 HydrophobicContact CD2-CB 3.56Å; F251-F408 HydrophobicContact CE2-CB 3.78Å; F251-F408 HydrophobicContact CG-CB 3.98Å; F251-F408 HydrophobicContact CZ-CB 4.37Å; F408-F427 HydrophobicContact CD1-CE2 4.49Å; F408-F427 HydrophobicContact CD1-CZ 4.3Å; F408-F427 HydrophobicContact CE1-CE2 4.2Å; F408-F427 HydrophobicContact CE1-CZ 4.23Å
409	L	95.3	Very high	91.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	7.4	176.7	-59.2	171.4	0	0	0	113	I43 F235 F240 N407 Q411 F412 V417 L421	I43-L409 HydrophobicContact CG2-CD2 4.3Å; F235-L409 HydrophobicContact CD2-CD1 3.83Å; F235-L409 HydrophobicContact CE2-CD1 3.83Å; F240-L409 HydrophobicContact CB-CD1 4.41Å; F240-L409 HydrophobicContact CB-CD2 3.97Å; F240-L409 HydrophobicContact CD1-CD2 4.25Å; F240-L409 HydrophobicContact CD2-CD2 4.39Å; F240-L409 HydrophobicContact CG-CD2 3.96Å; N407-L409 PolarHBondContact O-N 2.84Å; N407-L409 WeakPolarHBondContact OD1-CB 3.35Å; N407-L409 PolarHBondContact OD1-N 3.45Å; L409-Q411 PolarHBondContact O-N 3.07Å; L409-F412 HydrophobicContact CD2-CD1 3.73Å; L409-F412 HydrophobicContact CD2-CE1 4.27Å; L409-F412 VanDerWaalsContact O-CB 3.31Å; L409-F412 WeakPolarHBondContact O-CB 2.85Å; L409-F412 PolarHBondContact O-N 2.92Å; L409-F412 VanDerWaalsContact O-N 3.08Å; L409-V417 HydrophobicContact CB-CG1 4.22Å; L409-V417 HydrophobicContact CD1-CG1 4.12Å; L409-V417 HydrophobicContact CD1-CG2 4.49Å; L409-V417 HydrophobicContact CD2-CG2 4.43Å; L409-L421 CarbonylContact C-O 3.52Å; L409-L421 HydrophobicContact CB-CB 4.4Å; L409-L421 HydrophobicContact CD1-CB 4.43Å; L409-L421 HydrophobicContact CD1-CD1 3.9Å
410	Y	95.9	Very high	91.2	Very high	38 Å²	38	38.8 Å²	38.8	15%	0.149	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	128.5	-179.2	179.1	-123.9	0	0	0	112.2	F251 H252 N253 N407 F412 T423 K424 E425	F251-Y410 WeakPolarHBondContact O-CD1 3.28Å; H252-Y410 AromaticContact ND1-CD1 3.93Å; H252-Y410 AromaticContact ND1-CE1 3.65Å; N253-Y410 PolarHBondContact N-O 3.35Å; N407-Y410 WeakPolarHBondContact O-CB 3.36Å; N407-Y410 PolarHBondContact O-N 3.06Å; Y410-F412 PolarHBondContact O-N 3.48Å; Y410-F412 VanDerWaalsContact O-N 3.12Å; Y410-T423 WeakPolarHBondContact CE2-O 3.2Å; Y410-K424 VanDerWaalsContact CD2-O 3.28Å; Y410-K424 WeakPolarHBondContact CD2-O 3.31Å; Y410-E425 HydrophobicContact CD1-CG 3.85Å; Y410-E425 HydrophobicContact CD2-CG 3.97Å; Y410-E425 HydrophobicContact CE1-CG 3.41Å; Y410-E425 VanDerWaalsContact CE1-CG 3.41Å; Y410-E425 HydrophobicContact CE2-CG 3.56Å; Y410-E425 HydrophobicContact CG-CG 4.09Å; Y410-E425 WeakPolarHBondContact OH-CG 3.48Å; Y410-E425 PolarHBondContact OH-OE1 3.49Å
411	Q	94.3	Very high	91.3	Very high	61 Å²	61	37 Å²	37	29%	0.285	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	18.9	-177.1	-61.2	-70.7	-19.6	0	0	114.1	N253 L409 Q413 Q422	N253-Q411 WeakPolarHBondContact CA-O 3.37Å; N253-Q411 HydrophobicContact CB-CB 4.46Å; N253-Q411 PolarHBondContact OD1-O 3.07Å; L409-Q411 PolarHBondContact O-N 3.07Å; Q411-Q413 PolarHBondContact O-N 3.46Å; Q411-Q422 WeakPolarHBondContact CA-O 3.28Å; Q411-Q422 PolarHBondContact N-O 3.46Å
412	F	90.9	Very high	91.5	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.057	19%	0.191	C	C	.	.			trans	-83.3	103	174	176.8	-148.3	0	0	0	110.6	F240 R254 L409 Y410 N414 V417 Q422	F240-F412 HydrophobicContact CD1-CE1 4.01Å; F240-F412 AromaticContact CE1-CE1 3.41Å; F240-F412 HydrophobicContact CE1-CE1 3.41Å; F240-F412 VanDerWaalsContact CE1-CE1 3.41Å; F240-F412 AromaticContact CE1-CZ 3.99Å; F240-F412 HydrophobicContact CE1-CZ 3.99Å; F240-F412 AromaticContact CZ-CE1 3.79Å; F240-F412 HydrophobicContact CZ-CE1 3.79Å; F240-F412 HydrophobicContact CZ-CZ 4.38Å; R254-F412 HydrophobicContact CG-CB 4.28Å; R254-F412 HydrophobicContact CG-CD1 4.39Å; R254-F412 HydrophobicContact CG-CD2 3.25Å; R254-F412 HydrophobicContact CG-CE2 3.57Å; R254-F412 HydrophobicContact CG-CG 3.72Å; R254-F412 HydrophobicContact CG-CZ 4.23Å; L409-F412 HydrophobicContact CD2-CD1 3.73Å; L409-F412 HydrophobicContact CD2-CE1 4.27Å; L409-F412 VanDerWaalsContact O-CB 3.31Å; L409-F412 WeakPolarHBondContact O-CB 2.85Å; L409-F412 PolarHBondContact O-N 2.92Å; L409-F412 VanDerWaalsContact O-N 3.08Å; Y410-F412 PolarHBondContact O-N 3.48Å; Y410-F412 VanDerWaalsContact O-N 3.12Å; F412-N414 HydrophobicContact CD1-CB 4.3Å; F412-N414 HydrophobicContact CD2-CB 4.34Å; F412-N414 HydrophobicContact CE1-CB 3.93Å; F412-N414 HydrophobicContact CE2-CB 3.94Å; F412-N414 HydrophobicContact CZ-CB 3.75Å; F412-N414 WeakPolarHBondContact CZ-ND2 3.28Å; F412-N414 PolarHBondContact O-N 2.97Å; F412-V417 HydrophobicContact CD1-CG2 4.07Å; F412-V417 HydrophobicContact CE1-CG2 4.21Å; F412-Q422 WeakPolarHBondContact O-CG 3.32Å; F412-Q422 PolarHBondContact O-OE1 3.12Å
413	Q	87.4	Confident	91.5	Very high	137 Å²	137	39.8 Å²	39.8	64%	0.64	22%	0.215	S	C	*	.			trans	-71.8	97.7	179	-62.5	-65.6	-42.6	0	0	110.7	Q411	Q411-Q413 PolarHBondContact O-N 3.46Å
414	N	87.3	Confident	91.6	Very high	43 Å²	43	44.6 Å²	44.6	23%	0.23	24%	0.235	C	C	.	.			trans	-149.4	127.2	176.8	-171.2	-40.5	0	0	0	111	F412 S416 V417 Q422	F412-N414 HydrophobicContact CD1-CB 4.3Å; F412-N414 HydrophobicContact CD2-CB 4.34Å; F412-N414 HydrophobicContact CE1-CB 3.93Å; F412-N414 HydrophobicContact CE2-CB 3.94Å; F412-N414 HydrophobicContact CZ-CB 3.75Å; F412-N414 WeakPolarHBondContact CZ-ND2 3.28Å; F412-N414 PolarHBondContact O-N 2.97Å; N414-S416 PolarHBondContact O-N 2.93Å; N414-S416 VanDerWaalsContact O-N 3.11Å; N414-S416 PolarHBondContact OD1-N 2.8Å; N414-S416 PolarHBondContact OD1-OG 3.41Å; N414-V417 HydrophobicContact CB-CB 4.41Å; N414-V417 HydrophobicContact CB-CG2 3.94Å; N414-V417 PolarHBondContact O-N 2.84Å; N414-Q422 PolarHBondContact O-NE2 3.25Å
415	D	86.4	Confident	91.7	Very high	175 Å²	175	49.8 Å²	49.8	94%	0.936	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.9	-177.2	-63.1	-22.1	0	0	0	114
416	S	86.2	Confident	91.7	Very high	51 Å²	51	53.1 Å²	53.1	36%	0.357	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.1	176	68.6	0	0	0	0	113.6	F240 N414	F240-S416 VanDerWaalsContact CE2-OG 3.3Å; F240-S416 WeakPolarHBondContact CE2-OG 3.48Å; F240-S416 WeakPolarHBondContact CZ-OG 3.23Å; N414-S416 PolarHBondContact O-N 2.93Å; N414-S416 VanDerWaalsContact O-N 3.11Å; N414-S416 PolarHBondContact OD1-N 2.8Å; N414-S416 PolarHBondContact OD1-OG 3.41Å
417	V	88.3	Confident	91.6	Very high	4 Å²	4	53 Å²	53	2%	0.024	27%	0.274	C	S	.	.	S	Bend	trans	-92.8	125.6	176.5	-178.4	0	0	0	0	108.7	F240 L409 F412 N414 L421 Q422	F240-V417 HydrophobicContact CD2-CG2 3.85Å; F240-V417 HydrophobicContact CE2-CG2 3.31Å; F240-V417 HydrophobicContact CZ-CG2 3.78Å; L409-V417 HydrophobicContact CB-CG1 4.22Å; L409-V417 HydrophobicContact CD1-CG1 4.12Å; L409-V417 HydrophobicContact CD1-CG2 4.49Å; L409-V417 HydrophobicContact CD2-CG2 4.43Å; F412-V417 HydrophobicContact CD1-CG2 4.07Å; F412-V417 HydrophobicContact CE1-CG2 4.21Å; N414-V417 HydrophobicContact CB-CB 4.41Å; N414-V417 HydrophobicContact CB-CG2 3.94Å; N414-V417 PolarHBondContact O-N 2.84Å; V417-L421 HydrophobicContact CG1-CB 3.74Å; V417-Q422 HydrophobicContact CB-CG 4.04Å; V417-Q422 HydrophobicContact CG1-CG 3.64Å; V417-Q422 PolarHBondContact O-NE2 3.43Å
418	P	88.7	Confident	91.4	Very high	36 Å²	36	54.6 Å²	54.6	23%	0.234	28%	0.281	C	S	.	.			trans	-64.9	147.7	177.1	-16.8	26.2	0	0	0	113.2	F216 C420 L421 Q422	F216-P418 HydrophobicContact CE1-CB 4.22Å; F216-P418 HydrophobicContact CE1-CG 3.38Å; F216-P418 HydrophobicContact CZ-CB 4.47Å; F216-P418 HydrophobicContact CZ-CG 3.58Å; P418-C420 PolarHBondContact O-N 2.62Å; P418-L421 PolarHBondContact O-N 2.7Å; P418-Q422 PolarHBondContact O-N 3.45Å; P418-Q422 VanDerWaalsContact O-N 3.15Å
419	D	88.9	Confident	91.3	Very high	124 Å²	124	54.6 Å²	54.6	66%	0.663	28%	0.281	S	S	*	.	H	α-helix	trans	-50	-38.6	-179	-68.2	-12.9	0	0	0	113.8	L421 Q422 T423	D419-L421 VanDerWaalsContact C-N 3.31Å; D419-L421 PolarHBondContact O-N 3.44Å; D419-Q422 PolarHBondContact O-N 3.46Å; D419-Q422 VanDerWaalsContact O-N 3.12Å; D419-T423 WeakPolarHBondContact O-CB 3.38Å; D419-T423 WeakPolarHBondContact O-CG2 3.48Å; D419-T423 PolarHBondContact O-N 3.37Å; D419-T423 PolarHBondContact O-OG1 3.49Å
420	C	88.6	Confident	91.1	Very high	32 Å²	32	55 Å²	55	22%	0.216	28%	0.284	C	S	.	.	H	α-helix	trans	-68.8	-25.5	179.8	40.7	0	0	0	0	114	C215 P418 K424	C215-C420 WeakPolarHBondContact CA-SG 3.47Å; C215-C420 HydrophobicContact CB-CB 3.84Å; C215-C420 WeakPolarHBondContact CB-SG 3.5Å; C215-C420 PolarHBondContact O-SG 3.31Å; C215-C420 WeakPolarHBondContact SG-CB 3.44Å; C215-C420 CovalentContact SG-SG 2Å; C215-C420 PolarHBondContact SG-SG 3.14Å; P418-C420 PolarHBondContact O-N 2.62Å; C420-K424 WeakPolarHBondContact O-CB 3.38Å; C420-K424 WeakPolarHBondContact O-CG 3.46Å
421	L	91.4	Very high	91	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-84.6	-22.1	169.1	-65.2	-177.2	0	0	0	112	C215 F216 F235 L238 N407 L409 V417 P418 D419 F427	C215-L421 HydrophobicContact CB-CD2 4.25Å; C215-L421 HydrophobicContact CB-CG 4.46Å; C215-L421 VanDerWaalsContact SG-CG 3.57Å; C215-L421 PolarHBondContact SG-N 2.89Å; F216-L421 HydrophobicContact CE2-CD1 4.19Å; F216-L421 HydrophobicContact CZ-CD1 3.94Å; F216-L421 HydrophobicContact CZ-CG 4.45Å; F235-L421 HydrophobicContact CD2-CD1 4.24Å; F235-L421 HydrophobicContact CE1-CD1 4.19Å; F235-L421 HydrophobicContact CE2-CD1 3.63Å; F235-L421 HydrophobicContact CE2-CD2 4.42Å; F235-L421 HydrophobicContact CZ-CD1 3.6Å; F235-L421 HydrophobicContact CZ-CD2 4.01Å; F235-L421 HydrophobicContact CZ-CG 4.48Å; L238-L421 HydrophobicContact CD1-CD1 3.84Å; N407-L421 PolarHBondContact ND2-O 2.99Å; L409-L421 CarbonylContact C-O 3.52Å; L409-L421 HydrophobicContact CB-CB 4.4Å; L409-L421 HydrophobicContact CD1-CB 4.43Å; L409-L421 HydrophobicContact CD1-CD1 3.9Å; V417-L421 HydrophobicContact CG1-CB 3.74Å; P418-L421 PolarHBondContact O-N 2.7Å; D419-L421 VanDerWaalsContact C-N 3.31Å; D419-L421 PolarHBondContact O-N 3.44Å; L421-F427 HydrophobicContact CD2-CB 4.28Å; L421-F427 HydrophobicContact CD2-CD2 4.08Å
422	Q	92.9	Very high	91	Very high	15 Å²	15	50.3 Å²	50.3	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-79.8	-31.9	175.2	-59.2	-169.3	37.7	0	0	112.5	Q411 F412 N414 V417 P418 D419	Q411-Q422 WeakPolarHBondContact CA-O 3.28Å; Q411-Q422 PolarHBondContact N-O 3.46Å; F412-Q422 WeakPolarHBondContact O-CG 3.32Å; F412-Q422 PolarHBondContact O-OE1 3.12Å; N414-Q422 PolarHBondContact O-NE2 3.25Å; V417-Q422 HydrophobicContact CB-CG 4.04Å; V417-Q422 HydrophobicContact CG1-CG 3.64Å; V417-Q422 PolarHBondContact O-NE2 3.43Å; P418-Q422 PolarHBondContact O-N 3.45Å; P418-Q422 VanDerWaalsContact O-N 3.15Å; D419-Q422 PolarHBondContact O-N 3.46Å; D419-Q422 VanDerWaalsContact O-N 3.12Å
423	T	92.5	Very high	91.1	Very high	88 Å²	88	50.6 Å²	50.6	54%	0.54	27%	0.27	S	S	.	.	H	α-helix	trans	-98.8	-17.5	-168.2	53.8	0	0	0	0	115	Y410 D419	Y410-T423 WeakPolarHBondContact CE2-O 3.2Å; D419-T423 WeakPolarHBondContact O-CB 3.38Å; D419-T423 WeakPolarHBondContact O-CG2 3.48Å; D419-T423 PolarHBondContact O-N 3.37Å; D419-T423 PolarHBondContact O-OG1 3.49Å
424	K	93.9	Very high	91.1	Very high	102 Å²	102	46.8 Å²	46.8	44%	0.443	25%	0.253	S	S	.	.			trans	-104	135.1	-177.7	-62.6	-177.3	178.9	-177.4	0	111.3	N407 Y410 C420 E426	N407-K424 PolarHBondContact ND2-O 3.19Å; Y410-K424 VanDerWaalsContact CD2-O 3.28Å; Y410-K424 WeakPolarHBondContact CD2-O 3.31Å; C420-K424 WeakPolarHBondContact O-CB 3.38Å; C420-K424 WeakPolarHBondContact O-CG 3.46Å; K424-E426 WeakPolarHBondContact CB-O 3.4Å; K424-E426 PolarHBondContact O-N 3.13Å
425	E	94.8	Very high	91.2	Very high	115 Å²	115	46.3 Å²	46.3	54%	0.537	25%	0.251	S	S	.	.	S	Bend	trans	-68.1	-19.1	175.2	-69.8	-173.1	-171.5	0	0	112.8	N407 Y410	N407-E425 WeakPolarHBondContact CB-O 3.41Å; N407-E425 PolarHBondContact N-O 3.4Å; Y410-E425 HydrophobicContact CD1-CG 3.85Å; Y410-E425 HydrophobicContact CD2-CG 3.97Å; Y410-E425 HydrophobicContact CE1-CG 3.41Å; Y410-E425 VanDerWaalsContact CE1-CG 3.41Å; Y410-E425 HydrophobicContact CE2-CG 3.56Å; Y410-E425 HydrophobicContact CG-CG 4.09Å; Y410-E425 WeakPolarHBondContact OH-CG 3.48Å; Y410-E425 PolarHBondContact OH-OE1 3.49Å
426	E	94.5	Very high	91.5	Very high	70 Å²	70	38.1 Å²	38.1	33%	0.327	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.4	-173.7	-66.3	163.7	-179.2	0	0	110.9	H169 T404 T405 K424	H169-E426 IonicContact CE1-OE1 2.72Å; H169-E426 PolarHBondContact CE1-OE1 2.88Å; H169-E426 IonicContact ND1-OE1 3.36Å; H169-E426 IonicContact NE2-OE1 2.72Å; T404-E426 HydrophobicContact CG2-CB 4.23Å; T404-E426 HydrophobicContact CG2-CG 4.15Å; T405-E426 WeakPolarHBondContact O-CA 3.34Å; K424-E426 WeakPolarHBondContact CB-O 3.4Å; K424-E426 PolarHBondContact O-N 3.13Å
427	F	93.1	Very high	91.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	170.3	166.9	63.7	2.9	0	0	0	110.5	E212 F226 F235 T405 N407 F408 L421 L429	E212-F427 HydrophobicContact CG-CB 3.98Å; E212-F427 HydrophobicContact CG-CD2 4.27Å; E212-F427 HydrophobicContact CG-CG 4.41Å; F226-F427 HydrophobicContact CD2-CE2 4.38Å; F226-F427 AromaticContact CE2-CE2 3.83Å; F226-F427 HydrophobicContact CE2-CE2 3.83Å; F226-F427 AromaticContact CE2-CZ 3.88Å; F226-F427 HydrophobicContact CE2-CZ 3.88Å; F226-F427 HydrophobicContact CZ-CZ 4.13Å; F235-F427 AromaticContact CE2-CD2 3.92Å; F235-F427 HydrophobicContact CE2-CD2 3.92Å; F235-F427 AromaticContact CE2-CE2 3.55Å; F235-F427 HydrophobicContact CE2-CE2 3.55Å; F235-F427 AromaticContact CZ-CD2 3.56Å; F235-F427 HydrophobicContact CZ-CD2 3.56Å; F235-F427 AromaticContact CZ-CE2 3.52Å; F235-F427 HydrophobicContact CZ-CE2 3.52Å; T405-F427 VanDerWaalsContact CB-CE1 3.46Å; T405-F427 HydrophobicContact CG2-CD1 4.34Å; T405-F427 HydrophobicContact CG2-CE1 3.58Å; T405-F427 PolarHBondContact N-O 2.89Å; T405-F427 WeakPolarHBondContact O-CD1 3.25Å; T405-F427 PolarHBondContact O-N 3.34Å; N407-F427 HydrophobicContact CB-CG 4.35Å; F408-F427 HydrophobicContact CD1-CE2 4.49Å; F408-F427 HydrophobicContact CD1-CZ 4.3Å; F408-F427 HydrophobicContact CE1-CE2 4.2Å; F408-F427 HydrophobicContact CE1-CZ 4.23Å; L421-F427 HydrophobicContact CD2-CB 4.28Å; L421-F427 HydrophobicContact CD2-CD2 4.08Å; F427-L429 HydrophobicContact CD1-CG 4.47Å; F427-L429 HydrophobicContact CE1-CD1 4.27Å; F427-L429 HydrophobicContact CE1-CG 4.2Å; F427-L429 HydrophobicContact CZ-CD1 4.37Å; F427-L429 HydrophobicContact CZ-CD2 4.38Å; F427-L429 HydrophobicContact CZ-CG 4.45Å
428	H	91.9	Very high	92.3	Very high	36 Å²	36	36.6 Å²	36.6	17%	0.167	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	109.4	-174.2	-61.6	69.9	0	0	0	109.7	E212 K213 Y214 W402	E212-H428 WeakPolarHBondContact CA-O 3.35Å; K213-H428 HydrophobicContact CB-CB 4.24Å; K213-H428 PolarHBondContact N-O 3.26Å; Y214-H428 HydrophobicContact CD2-CB 3.88Å; Y214-H428 AromaticContact CD2-CE1 3.94Å; Y214-H428 AromaticContact CD2-CG 3.6Å; Y214-H428 AromaticContact CD2-ND1 3.39Å; Y214-H428 WeakPolarHBondContact CD2-ND1 3.13Å; Y214-H428 HydrophobicContact CE2-CB 3.84Å; Y214-H428 AromaticContact CE2-CD2 3.61Å; Y214-H428 AromaticContact CE2-CE1 3.81Å; Y214-H428 AromaticContact CE2-CG 3.4Å; Y214-H428 VanDerWaalsContact CE2-CG 3.4Å; Y214-H428 AromaticContact CE2-ND1 3.55Å; Y214-H428 AromaticContact CE2-NE2 3.8Å; W402-H428 PolarHBondContact O-CD2 3.22Å
429	L	93.9	Very high	92.6	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.7	177.1	-63.1	-179.1	0	0	0	109.7	A210 L211 F226 V271 G403 F427	A210-L429 HydrophobicContact CB-CB 4.22Å; L211-L429 CarbonylContact O-C 3.54Å; L211-L429 VanDerWaalsContact O-CA 3.32Å; L211-L429 WeakPolarHBondContact O-CA 3.43Å; F226-L429 HydrophobicContact CB-CD2 3.92Å; F226-L429 HydrophobicContact CD1-CD1 3.95Å; F226-L429 HydrophobicContact CD1-CD2 4.04Å; F226-L429 HydrophobicContact CD2-CD2 3.91Å; F226-L429 HydrophobicContact CE1-CD1 3.89Å; F226-L429 HydrophobicContact CE2-CD2 4.44Å; F226-L429 HydrophobicContact CG-CD1 4.43Å; F226-L429 HydrophobicContact CG-CD2 3.68Å; F226-L429 HydrophobicContact CZ-CD1 4.34Å; V271-L429 HydrophobicContact CG1-CB 3.46Å; V271-L429 VanDerWaalsContact CG1-CB 3.46Å; V271-L429 HydrophobicContact CG1-CD1 4.44Å; G403-L429 VanDerWaalsContact CA-O 3.31Å; G403-L429 WeakPolarHBondContact CA-O 3.44Å; G403-L429 PolarHBondContact O-N 3.42Å; F427-L429 HydrophobicContact CD1-CG 4.47Å; F427-L429 HydrophobicContact CE1-CD1 4.27Å; F427-L429 HydrophobicContact CE1-CG 4.2Å; F427-L429 HydrophobicContact CZ-CD1 4.37Å; F427-L429 HydrophobicContact CZ-CD2 4.38Å; F427-L429 HydrophobicContact CZ-CG 4.45Å
430	I	91.6	Very high	93	Very high	9 Å²	9	29 Å²	29	5%	0.046	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	171.8	179	64.1	173.3	0	0	0	111.8	A210 L211 K213 C274 A432 L434	A210-I430 CarbonylContact C-O 3.53Å; A210-I430 VanDerWaalsContact CA-O 3.3Å; A210-I430 WeakPolarHBondContact CA-O 3.3Å; A210-I430 WeakPolarHBondContact CB-O 3.02Å; L211-I430 HydrophobicContact CB-CG1 4.02Å; L211-I430 PolarHBondContact N-O 3.03Å; L211-I430 PolarHBondContact O-N 2.57Å; K213-I430 HydrophobicContact CB-CD1 3.79Å; K213-I430 HydrophobicContact CB-CG1 4.18Å; K213-I430 HydrophobicContact CB-CG2 4.22Å; K213-I430 HydrophobicContact CD-CD1 4.05Å; K213-I430 HydrophobicContact CD-CG2 4.12Å; K213-I430 HydrophobicContact CG-CD1 3.79Å; C274-I430 VanDerWaalsContact SG-CA 3.59Å; I430-A432 PolarHBondContact O-N 2.79Å; I430-L434 HydrophobicContact CB-CD1 4.46Å; I430-L434 HydrophobicContact CD1-CD1 3.66Å; I430-L434 HydrophobicContact CG1-CD1 4.18Å
431	D	94	Very high	93.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	119	-179.8	-169.6	-28.3	0	0	0	112.2	S121 L211 L272 A275 G433 L434	S121-D431 WeakPolarHBondContact CA-OD1 3.49Å; S121-D431 WeakPolarHBondContact CB-OD1 3.23Å; S121-D431 WeakPolarHBondContact CB-OD2 3.49Å; S121-D431 PolarHBondContact N-OD1 3.49Å; S121-D431 PolarHBondContact OG-OD2 3.23Å; L211-D431 WeakPolarHBondContact CD1-O 3.4Å; L272-D431 VanDerWaalsContact O-CG 3.26Å; A275-D431 HydrophobicContact CB-CB 4.29Å; A275-D431 WeakPolarHBondContact CB-OD2 3.35Å; A275-D431 PolarHBondContact N-OD2 2.87Å; D431-G433 PolarHBondContact O-N 2.96Å; D431-G433 VanDerWaalsContact O-N 3.12Å; D431-G433 WeakPolarHBondContact OD1-CA 3.27Å; D431-G433 PolarHBondContact OD1-N 3.5Å; D431-L434 HydrophobicContact CB-CD1 4.27Å; D431-L434 HydrophobicContact CB-CG 4.38Å; D431-L434 WeakPolarHBondContact O-CB 3.16Å; D431-L434 WeakPolarHBondContact O-CD1 3.25Å; D431-L434 WeakPolarHBondContact O-CG 3.33Å; D431-L434 PolarHBondContact O-N 3.35Å
432	A	93.9	Very high	93.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61	-20.4	178.5	0	0	0	0	0	114.3	V120 C209 L211 W225 I430 L434 L435 I436	V120-A432 HydrophobicContact CB-CB 4.01Å; V120-A432 HydrophobicContact CG1-CB 3.75Å; C209-A432 HydrophobicContact CB-CB 3.92Å; C209-A432 WeakPolarHBondContact O-CB 3.42Å; L211-A432 VanDerWaalsContact CD1-CA 3.47Å; L211-A432 HydrophobicContact CD1-CB 4.48Å; L211-A432 WeakPolarHBondContact CD1-O 3.47Å; L211-A432 HydrophobicContact CG-CB 4.27Å; W225-A432 HydrophobicContact CH2-CB 3.69Å; W225-A432 HydrophobicContact CZ2-CB 4.19Å; W225-A432 HydrophobicContact CZ3-CB 3.85Å; I430-A432 PolarHBondContact O-N 2.79Å; A432-L434 PolarHBondContact O-N 3.43Å; A432-L435 PolarHBondContact O-N 2.89Å; A432-I436 PolarHBondContact O-N 3.21Å; A432-I436 VanDerWaalsContact O-O 3.13Å
433	G	91.8	Very high	93.7	Very high	19 Å²	19	27.2 Å²	27.2	20%	0.196	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-57.1	-18.8	174.5	0	0	0	0	0	115	D431 N437	D431-G433 PolarHBondContact O-N 2.96Å; D431-G433 VanDerWaalsContact O-N 3.12Å; D431-G433 WeakPolarHBondContact OD1-CA 3.27Å; D431-G433 PolarHBondContact OD1-N 3.5Å; G433-N437 WeakPolarHBondContact CA-OD1 3.35Å
434	L	88.3	Confident	93.8	Very high	56 Å²	56	23.4 Å²	23.4	29%	0.293	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-79.1	-19.6	-178.9	-61.8	168.5	0	0	0	113.8	L211 H278 I430 D431 A432	L211-L434 HydrophobicContact CD1-CB 4.24Å; H278-L434 HydrophobicContact CB-CD1 3.66Å; H278-L434 HydrophobicContact CB-CD2 3.56Å; H278-L434 HydrophobicContact CB-CG 4.26Å; I430-L434 HydrophobicContact CB-CD1 4.46Å; I430-L434 HydrophobicContact CD1-CD1 3.66Å; I430-L434 HydrophobicContact CG1-CD1 4.18Å; D431-L434 HydrophobicContact CB-CD1 4.27Å; D431-L434 HydrophobicContact CB-CG 4.38Å; D431-L434 WeakPolarHBondContact O-CB 3.16Å; D431-L434 WeakPolarHBondContact O-CD1 3.25Å; D431-L434 WeakPolarHBondContact O-CG 3.33Å; D431-L434 PolarHBondContact O-N 3.35Å; A432-L434 PolarHBondContact O-N 3.43Å
435	L	89.2	Confident	93.7	Very high	34 Å²	34	19 Å²	19	18%	0.178	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-62	175.5	179.7	59.7	0	0	0	111.8	L211 L221 A432	L211-L435 HydrophobicContact CD1-CB 3.37Å; L211-L435 HydrophobicContact CD2-CB 3.64Å; L211-L435 HydrophobicContact CD2-CD2 3.49Å; L211-L435 VanDerWaalsContact CD2-CD2 3.49Å; L211-L435 HydrophobicContact CD2-CG 4.19Å; L211-L435 HydrophobicContact CG-CB 4.14Å; L221-L435 WeakPolarHBondContact O-CD1 3.31Å; A432-L435 PolarHBondContact O-N 2.89Å
436	I	92.4	Very high	93.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.105	C	C	.	.			trans	-131.6	111.5	175.3	-66.7	159.1	0	0	0	106	W225 A432 M438 Y440 P441 T466 L469 A470 Y473	W225-I436 HydrophobicContact CZ3-CB 4.18Å; A432-I436 PolarHBondContact O-N 3.21Å; A432-I436 VanDerWaalsContact O-O 3.13Å; I436-M438 WeakPolarHBondContact CG2-O 3.26Å; I436-M438 PolarHBondContact O-N 3.01Å; I436-Y440 HydrophobicContact CG2-CD2 4.19Å; I436-P441 HydrophobicContact CD1-CG 3.87Å; I436-T466 HydrophobicContact CG2-CG2 3.98Å; I436-L469 HydrophobicContact CG1-CB 4.05Å; I436-A470 HydrophobicContact CG2-CB 4.22Å; I436-Y473 HydrophobicContact CD1-CD1 4.16Å; I436-Y473 HydrophobicContact CD1-CD2 3.82Å; I436-Y473 HydrophobicContact CD1-CG 3.56Å
437	N	95.2	Very high	93.6	Very high	24 Å²	24	18 Å²	18	13%	0.128	10%	0.095	C	C	.	.	S	Bend	trans	-75.1	35.1	-175.2	-160.1	37.1	0	0	0	115.1	S88 G89 G433 S459 T466	S88-N437 WeakPolarHBondContact CA-O 3.42Å; S88-N437 WeakPolarHBondContact CB-O 3.25Å; G89-N437 WeakPolarHBondContact CA-OD1 3.24Å; G89-N437 PolarHBondContact N-ND2 3Å; G89-N437 PolarHBondContact N-O 3.04Å; G89-N437 PolarHBondContact N-OD1 3.09Å; G89-N437 VanDerWaalsContact N-OD1 3.12Å; G89-N437 PolarHBondContact O-ND2 3.27Å; G433-N437 WeakPolarHBondContact CA-OD1 3.35Å; N437-S459 VanDerWaalsContact ND2-CB 3.28Å; N437-S459 WeakPolarHBondContact ND2-CB 3.49Å; N437-S459 PolarHBondContact ND2-OG 2.92Å; N437-T466 HydrophobicContact CB-CG2 4.26Å
438	M	95.8	Very high	93.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-156.6	154.7	170.3	-90.6	-163.8	-86.5	0	0	110.6	S88 W225 I436 Y440 A455 E457 T466 Y512	S88-M438 VanDerWaalsContact CA-CG 3.49Å; W225-M438 WeakPolarHBondContact CH2-O 3.28Å; I436-M438 WeakPolarHBondContact CG2-O 3.26Å; I436-M438 PolarHBondContact O-N 3.01Å; M438-Y440 HydrophobicContact CB-CD2 3.66Å; M438-Y440 HydrophobicContact CB-CE2 3.75Å; M438-Y440 HydrophobicContact CB-CG 4.47Å; M438-Y440 HydrophobicContact CE-CD2 4.4Å; M438-Y440 HydrophobicContact CE-CE2 3.34Å; M438-Y440 VanDerWaalsContact CE-OH 3.32Å; M438-Y440 WeakPolarHBondContact CE-OH 3.47Å; M438-Y440 HydrophobicContact CG-CE2 4.34Å; M438-Y440 PolarHBondContact O-N 2.86Å; M438-Y440 HydrophobicContact SD-CE2 3.78Å; M438-A455 HydrophobicContact CE-CB 4.43Å; M438-A455 HydrophobicContact SD-CB 3.72Å; M438-E457 WeakPolarHBondContact CE-OE2 3.32Å; M438-T466 HydrophobicContact CB-CG2 3.74Å; M438-T466 HydrophobicContact CE-CG2 3.61Å; M438-T466 HydrophobicContact CG-CG2 3.97Å; M438-Y512 HydrophobicContact CE-CD2 4.02Å; M438-Y512 HydrophobicContact CE-CE2 3.46Å; M438-Y512 VanDerWaalsContact CE-CE2 3.46Å
439	A	95.9	Very high	93.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-73.6	28.6	-178.3	0	0	0	0	0	115.3	V120 S442 F443	V120-A439 HydrophobicContact CG1-CB 4.39Å; A439-S442 PolarHBondContact O-N 3.48Å; A439-F443 HydrophobicContact CB-CD2 4.49Å; A439-F443 HydrophobicContact CB-CE2 4.07Å; A439-F443 WeakPolarHBondContact O-CD2 3.48Å
440	Y	96.4	Very high	94	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-54.5	-48.5	178.8	-70.8	-64.9	0	0	0	112.9	I436 M438 S442 F443 L444 I453 T466 L467 A470 F481 I510	I436-Y440 HydrophobicContact CG2-CD2 4.19Å; M438-Y440 HydrophobicContact CB-CD2 3.66Å; M438-Y440 HydrophobicContact CB-CE2 3.75Å; M438-Y440 HydrophobicContact CB-CG 4.47Å; M438-Y440 HydrophobicContact CE-CD2 4.4Å; M438-Y440 HydrophobicContact CE-CE2 3.34Å; M438-Y440 VanDerWaalsContact CE-OH 3.32Å; M438-Y440 WeakPolarHBondContact CE-OH 3.47Å; M438-Y440 HydrophobicContact CG-CE2 4.34Å; M438-Y440 PolarHBondContact O-N 2.86Å; M438-Y440 HydrophobicContact SD-CE2 3.78Å; Y440-S442 PolarHBondContact O-N 3.47Å; Y440-S442 VanDerWaalsContact O-N 3.09Å; Y440-F443 PolarHBondContact O-N 2.94Å; Y440-L444 WeakPolarHBondContact O-CG 3.2Å; Y440-L444 PolarHBondContact O-N 3.12Å; Y440-I453 HydrophobicContact CD1-CD1 4.16Å; Y440-I453 HydrophobicContact CD1-CG2 4.47Å; Y440-I453 HydrophobicContact CE1-CD1 4.46Å; Y440-I453 HydrophobicContact CE1-CG2 4.05Å; Y440-T466 HydrophobicContact CE2-CG2 4.35Å; Y440-L467 HydrophobicContact CE2-CD1 4.35Å; Y440-L467 WeakPolarHBondContact OH-CD1 3.48Å; Y440-A470 HydrophobicContact CD2-CB 3.36Å; Y440-A470 HydrophobicContact CE2-CB 3.94Å; Y440-A470 HydrophobicContact CG-CB 3.81Å; Y440-F481 HydrophobicContact CD1-CE2 4.37Å; Y440-I510 HydrophobicContact CE1-CD1 3.86Å; Y440-I510 HydrophobicContact CE1-CG1 4.38Å; Y440-I510 HydrophobicContact CE1-CG2 4.24Å
441	P	95.2	Very high	94.3	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.032	10%	0.099	C	C	.	.	H	α-helix	trans	-54.5	-35.2	-174.6	-31.5	40.8	0	0	0	114.9	W225 I436 F443 Y473	W225-P441 HydrophobicContact CB-CB 4.21Å; W225-P441 HydrophobicContact CD2-CB 3.55Å; W225-P441 HydrophobicContact CD2-CG 3.63Å; W225-P441 HydrophobicContact CE3-CB 4.09Å; W225-P441 HydrophobicContact CE3-CG 3.64Å; W225-P441 HydrophobicContact CG-CB 3.6Å; W225-P441 HydrophobicContact CG-CG 4.19Å; W225-P441 HydrophobicContact CH2-CG 4.01Å; W225-P441 HydrophobicContact CZ2-CB 4.3Å; W225-P441 HydrophobicContact CZ2-CG 4.03Å; W225-P441 HydrophobicContact CZ3-CG 3.83Å; I436-P441 HydrophobicContact CD1-CG 3.87Å; P441-F443 VanDerWaalsContact C-N 3.26Å; P441-F443 PolarHBondContact O-N 3Å; P441-Y473 HydrophobicContact CB-CD1 4.44Å; P441-Y473 HydrophobicContact CB-CE1 3.63Å; P441-Y473 HydrophobicContact CG-CD1 4.1Å; P441-Y473 HydrophobicContact CG-CE1 3.76Å; P441-Y473 HydrophobicContact CG-CE2 4.49Å
442	S	95.8	Very high	94.5	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-70.1	-18.3	176.6	-69.6	0	0	0	0	113.9	W225 E227 A439 Y440 R448	W225-S442 PolarHBondContact NE1-OG 3.44Å; W225-S442 VanDerWaalsContact NE1-OG 3.07Å; E227-S442 VanDerWaalsContact OE2-CB 3.26Å; E227-S442 WeakPolarHBondContact OE2-CB 3.44Å; E227-S442 PolarHBondContact OE2-OG 3Å; A439-S442 PolarHBondContact O-N 3.48Å; Y440-S442 PolarHBondContact O-N 3.47Å; Y440-S442 VanDerWaalsContact O-N 3.09Å; S442-R448 WeakPolarHBondContact O-CD 3.48Å; S442-R448 PolarHBondContact O-NH1 2.73Å
443	F	97	Very high	94.8	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-108.2	1.3	-175.9	-64.4	-48.9	0	0	0	114.3	A84 A86 Y116 I207 A439 Y440 P441 I450 I453	A84-F443 HydrophobicContact CB-CD1 3.78Å; A84-F443 HydrophobicContact CB-CD2 4.13Å; A84-F443 HydrophobicContact CB-CE1 3.81Å; A84-F443 HydrophobicContact CB-CE2 4.14Å; A84-F443 HydrophobicContact CB-CG 3.96Å; A84-F443 HydrophobicContact CB-CZ 4Å; A86-F443 HydrophobicContact CB-CD2 3.99Å; A86-F443 HydrophobicContact CB-CE2 4.02Å; Y116-F443 HydrophobicContact CD1-CE1 4.34Å; Y116-F443 AromaticContact CG-CE1 3.95Å; Y116-F443 HydrophobicContact CG-CE1 3.95Å; I207-F443 HydrophobicContact CD1-CE1 3.68Å; I207-F443 HydrophobicContact CD1-CZ 4.12Å; A439-F443 HydrophobicContact CB-CD2 4.49Å; A439-F443 HydrophobicContact CB-CE2 4.07Å; A439-F443 WeakPolarHBondContact O-CD2 3.48Å; Y440-F443 PolarHBondContact O-N 2.94Å; P441-F443 VanDerWaalsContact C-N 3.26Å; P441-F443 PolarHBondContact O-N 3Å; F443-I450 HydrophobicContact CB-CG1 3.97Å; F443-I450 HydrophobicContact CD1-CD1 4.25Å; F443-I450 HydrophobicContact CD1-CG1 4.01Å; F443-I450 HydrophobicContact CG-CG1 4.36Å; F443-I450 WeakPolarHBondContact O-CG1 3.45Å; F443-I453 HydrophobicContact CB-CD1 4.07Å
444	L	95.1	Very high	95.1	Very high	9 Å²	9	17.7 Å²	17.7	5%	0.047	9%	0.09	C	C	.	.	S	Bend	trans	-93.9	134.8	-177.7	-64.4	176.4	0	0	0	113.1	Y440 Y473 A474 K479 F481 P508	Y440-L444 WeakPolarHBondContact O-CG 3.2Å; Y440-L444 PolarHBondContact O-N 3.12Å; L444-Y473 HydrophobicContact CD1-CD1 4.49Å; L444-A474 HydrophobicContact CD1-CB 3.81Å; L444-K479 HydrophobicContact CB-CB 3.99Å; L444-K479 HydrophobicContact CB-CG 4.34Å; L444-F481 HydrophobicContact CD1-CD2 3.95Å; L444-F481 HydrophobicContact CD1-CE2 4.4Å; L444-F481 HydrophobicContact CD2-CD2 3.66Å; L444-F481 HydrophobicContact CD2-CE2 4.18Å; L444-F481 HydrophobicContact CG-CD2 4.46Å; L444-P508 HydrophobicContact CD2-CG 4.1Å
445	G	92.3	Very high	95.6	Very high	9 Å²	9	15 Å²	15	9%	0.093	8%	0.076	C	C	.	.	S	Bend	trans	86.8	-163.8	175.4	0	0	0	0	0	114.7	D449	G445-D449 PolarHBondContact O-N 3.05Å
446	E	92.1	Very high	96	Very high	134 Å²	134	13.5 Å²	13.5	63%	0.626	7%	0.069	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-20.4	-162.7	-59	-175.1	165.2	0	0	114.5	R448 D449 K506	E446-R448 VanDerWaalsContact C-N 3.29Å; E446-R448 PolarHBondContact O-N 2.78Å; E446-D449 PolarHBondContact O-N 2.89Å; E446-K506 IonicContact OE1-NZ 2.66Å; E446-K506 PolarHBondContact OE1-NZ 2.96Å
447	K	93.8	Very high	96.3	Very high	29 Å²	29	13.8 Å²	13.8	13%	0.126	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-46.5	-177	-177.5	176.5	179.9	-172.9	0	111.4	S47 L49 E227 E232	S47-K447 WeakPolarHBondContact O-CB 3.26Å; L49-K447 HydrophobicContact CD2-CD 4.46Å; L49-K447 HydrophobicContact CD2-CG 3.8Å; L49-K447 WeakPolarHBondContact CD2-O 3.2Å; L49-K447 WeakPolarHBondContact CG-O 3.36Å; E227-K447 IonicContact OE1-NZ 3.28Å; E227-K447 PolarHBondContact OE1-NZ 3.41Å; E227-K447 VanDerWaalsContact OE1-NZ 3.17Å; E232-K447 IonicContact OE1-NZ 2.74Å; E232-K447 PolarHBondContact OE1-NZ 2.99Å
448	R	95.6	Very high	96.3	Very high	6 Å²	6	12.8 Å²	12.8	2%	0.023	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-11.9	178	-68.2	-179.9	-177.7	107.6	4	113.7	L49 E53 H82 Y116 I207 E227 S442 E446 I450	L49-R448 HydrophobicContact CD2-CG 3.95Å; E53-R448 IonicContact OE1-CZ 3.04Å; E53-R448 IonicContact OE1-NE 3.71Å; E53-R448 PolarHBondContact OE1-NE 3.41Å; E53-R448 IonicContact OE1-NH2 3.17Å; E53-R448 PolarHBondContact OE1-NH2 2.78Å; E53-R448 IonicContact OE2-NH2 2.76Å; E53-R448 PolarHBondContact OE2-NH2 3.47Å; H82-R448 PolarHBondContact ND1-O 3.12Å; Y116-R448 HydrophobicContact CE1-CG 4.42Å; Y116-R448 HydrophobicContact CE2-CB 4.4Å; Y116-R448 HydrophobicContact CE2-CG 4.5Å; I207-R448 VanDerWaalsContact CD1-NE 3.34Å; E227-R448 IonicContact OE1-CZ 2.77Å; E227-R448 IonicContact OE1-NH1 3.75Å; E227-R448 PolarHBondContact OE1-NH1 2.61Å; E227-R448 IonicContact OE1-NH2 2.98Å; E227-R448 PolarHBondContact OE1-NH2 3.19Å; E227-R448 IonicContact OE2-CZ 3.78Å; E227-R448 IonicContact OE2-NH1 3.04Å; E227-R448 PolarHBondContact OE2-NH1 3.26Å; E227-R448 IonicContact OE2-NH2 3.41Å; S442-R448 WeakPolarHBondContact O-CD 3.48Å; S442-R448 PolarHBondContact O-NH1 2.73Å; E446-R448 VanDerWaalsContact C-N 3.29Å; E446-R448 PolarHBondContact O-N 2.78Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 HydrophobicContact CB-CD1 3.88Å; R448-I450 HydrophobicContact CB-CG1 4.01Å; R448-I450 PolarHBondContact O-N 2.68Å
449	D	95.3	Very high	96.2	Very high	48 Å²	48	13.4 Å²	13.4	26%	0.257	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	54.2	176.9	-177.4	37	0	0	0	112.4	H82 G445 E446 R575 K578	H82-D449 WeakPolarHBondContact CB-O 3.35Å; H82-D449 PolarHBondContact ND1-O 3.21Å; G445-D449 PolarHBondContact O-N 3.05Å; E446-D449 PolarHBondContact O-N 2.89Å; D449-R575 PolarHBondContact O-NH2 3.09Å; D449-R575 IonicContact OD1-NH2 3.17Å; D449-R575 IonicContact OD2-CZ 3.45Å; D449-R575 IonicContact OD2-NH1 3.51Å; D449-R575 PolarHBondContact OD2-NH1 3.28Å; D449-R575 IonicContact OD2-NH2 3.46Å; D449-R575 PolarHBondContact OD2-NH2 3.03Å; D449-K578 IonicContact OD1-NZ 3.14Å; D449-K578 PolarHBondContact OD1-NZ 3.17Å
450	I	97.8	Very high	95.6	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.026	9%	0.093	C	C	.	.			trans	-72.2	130.5	-176.6	-58.7	-56.6	0	0	0	110.3	H82 A84 Y116 F443 R448 L452 I453 P508	H82-I450 HydrophobicContact CB-CD1 4.02Å; A84-I450 HydrophobicContact CB-CD1 4.06Å; A84-I450 HydrophobicContact CB-CG1 4.35Å; A84-I450 HydrophobicContact CB-CG2 4.01Å; Y116-I450 HydrophobicContact CD2-CD1 3.71Å; Y116-I450 HydrophobicContact CE2-CD1 3.9Å; F443-I450 HydrophobicContact CB-CG1 3.97Å; F443-I450 HydrophobicContact CD1-CD1 4.25Å; F443-I450 HydrophobicContact CD1-CG1 4.01Å; F443-I450 HydrophobicContact CG-CG1 4.36Å; F443-I450 WeakPolarHBondContact O-CG1 3.45Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 HydrophobicContact CB-CD1 3.88Å; R448-I450 HydrophobicContact CB-CG1 4.01Å; R448-I450 PolarHBondContact O-N 2.68Å; I450-L452 WeakPolarHBondContact CG2-O 3.37Å; I450-I453 HydrophobicContact CG2-CD1 4.43Å; I450-I453 HydrophobicContact CG2-CG1 3.63Å; I450-P508 HydrophobicContact CG2-CB 4.45Å
451	D	98	Very high	94.9	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	12%	0.115	C	C	.	.	S	Bend	trans	-92.7	-33.7	176.3	-57.1	-75.3	0	0	0	112.3	P81 H82 T509 A571 R574 R575 K578	P81-D451 WeakPolarHBondContact CA-OD2 3.09Å; P81-D451 HydrophobicContact CB-CB 4.41Å; H82-D451 PolarHBondContact N-OD2 3.38Å; H82-D451 PolarHBondContact O-N 3.41Å; D451-T509 PolarHBondContact O-N 3.37Å; D451-A571 HydrophobicContact CB-CB 4.05Å; D451-R574 PolarHBondContact O-NH2 2.84Å; D451-R575 VanDerWaalsContact CG-NE 3.32Å; D451-R575 IonicContact OD1-CZ 2.68Å; D451-R575 IonicContact OD1-NE 2.78Å; D451-R575 PolarHBondContact OD1-NE 2.95Å; D451-R575 IonicContact OD1-NH2 3.47Å; D451-R575 IonicContact OD2-CZ 2.9Å; D451-R575 IonicContact OD2-NE 3.66Å; D451-R575 PolarHBondContact OD2-NE 3.3Å; D451-R575 IonicContact OD2-NH2 3.15Å; D451-R575 PolarHBondContact OD2-NH2 3.09Å; D451-K578 IonicContact OD1-NZ 2.74Å; D451-K578 PolarHBondContact OD1-NZ 3.47Å; D451-K578 VanDerWaalsContact OD1-NZ 3.15Å
452	L	98.7	Very high	94.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126	-175.4	-177.1	63.4	0	0	0	110.6	H82 I83 A84 I450 T509 I511 E567 M568 A571	H82-L452 PolarHBondContact O-N 3.37Å; I83-L452 WeakPolarHBondContact CA-O 3.38Å; I83-L452 HydrophobicContact CG1-CB 4.25Å; I83-L452 HydrophobicContact CG1-CD2 4.44Å; I83-L452 HydrophobicContact CG2-CB 4.3Å; I83-L452 HydrophobicContact CG2-CD2 4.2Å; I83-L452 HydrophobicContact CG2-CG 4.33Å; A84-L452 PolarHBondContact N-O 3.34Å; I450-L452 WeakPolarHBondContact CG2-O 3.37Å; L452-T509 CarbonylContact C-O 3.54Å; L452-T509 WeakPolarHBondContact CA-O 3.19Å; L452-T509 HydrophobicContact CD1-CG2 3.82Å; L452-I511 HydrophobicContact CD1-CD1 3.99Å; L452-I511 HydrophobicContact CD1-CG1 3.87Å; L452-I511 HydrophobicContact CD2-CD1 4.35Å; L452-E567 HydrophobicContact CD1-CB 3.99Å; L452-E567 HydrophobicContact CD2-CB 4.31Å; L452-M568 HydrophobicContact CD2-CG 3.85Å; L452-A571 HydrophobicContact CB-CB 4.43Å
453	I	98.9	Very high	94.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.1	172	-60.4	172.5	0	0	0	108.3	A84 A86 Y440 F443 I450 A455 P508 T509 I510 I511	A84-I453 CarbonylContact O-C 3.44Å; A84-I453 WeakPolarHBondContact O-CA 3.39Å; A86-I453 HydrophobicContact CB-CG2 3.73Å; Y440-I453 HydrophobicContact CD1-CD1 4.16Å; Y440-I453 HydrophobicContact CD1-CG2 4.47Å; Y440-I453 HydrophobicContact CE1-CD1 4.46Å; Y440-I453 HydrophobicContact CE1-CG2 4.05Å; F443-I453 HydrophobicContact CB-CD1 4.07Å; I450-I453 HydrophobicContact CG2-CD1 4.43Å; I450-I453 HydrophobicContact CG2-CG1 3.63Å; I453-A455 HydrophobicContact CG2-CB 4.47Å; I453-P508 HydrophobicContact CD1-CB 3.87Å; I453-P508 HydrophobicContact CD1-CG 3.76Å; I453-P508 HydrophobicContact CG1-CB 4.01Å; I453-P508 HydrophobicContact CG1-CG 4.46Å; I453-T509 PolarHBondContact N-O 3.49Å; I453-I510 HydrophobicContact CB-CG1 4.3Å; I453-I510 HydrophobicContact CD1-CG1 4.47Å; I453-I510 CarbonylContact O-C 3.54Å; I453-I510 WeakPolarHBondContact O-CA 2.95Å; I453-I511 PolarHBondContact O-N 2.74Å
454	I	98.8	Very high	94.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.2	167.4	-55.4	179.2	0	0	0	107.1	I83 A84 L85 A86 L114 P456 I511 M513 V564 M568	I83-I454 HydrophobicContact CG2-CD1 4.26Å; I83-I454 HydrophobicContact CG2-CG1 4.43Å; A84-I454 PolarHBondContact O-N 3.16Å; L85-I454 CarbonylContact C-O 3.57Å; L85-I454 VanDerWaalsContact CA-O 3.3Å; L85-I454 WeakPolarHBondContact CA-O 3.29Å; A86-I454 PolarHBondContact N-O 3.33Å; L114-I454 HydrophobicContact CD2-CD1 4.19Å; I454-P456 WeakPolarHBondContact O-CD 3.29Å; I454-I511 HydrophobicContact CG1-CD1 4.43Å; I454-M513 HydrophobicContact CG2-CE 4.41Å; I454-V564 HydrophobicContact CD1-CG1 3.85Å; I454-M568 HydrophobicContact CD1-CE 4.2Å
455	A	98.6	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	85.8	-171.2	0	0	0	0	0	111.2	A86 M438 I453 E457 I510 I511 Y512 M513	A86-A455 WeakPolarHBondContact O-CA 3.41Å; M438-A455 HydrophobicContact CE-CB 4.43Å; M438-A455 HydrophobicContact SD-CB 3.72Å; I453-A455 HydrophobicContact CG2-CB 4.47Å; A455-E457 PolarHBondContact O-N 3.48Å; A455-I510 HydrophobicContact CB-CG2 4.22Å; A455-I511 WeakPolarHBondContact CB-O 3.4Å; A455-I511 PolarHBondContact N-O 2.86Å; A455-Y512 HydrophobicContact CB-CD2 4.19Å; A455-M513 PolarHBondContact O-N 3.43Å
456	P	98.1	Very high	94.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	117.5	167	-17.7	32	0	0	0	110.1	L85 S88 F101 I454	L85-P456 HydrophobicContact CD1-CG 4.2Å; L85-P456 HydrophobicContact CD2-CG 4.2Å; L85-P456 HydrophobicContact CG-CG 4.2Å; S88-P456 PolarHBondContact N-O 2.82Å; S88-P456 PolarHBondContact OG-O 2.88Å; F101-P456 HydrophobicContact CD1-CB 4.3Å; F101-P456 HydrophobicContact CD1-CG 4.31Å; F101-P456 HydrophobicContact CD2-CB 3.73Å; F101-P456 HydrophobicContact CD2-CG 4.4Å; F101-P456 HydrophobicContact CE1-CB 4.4Å; F101-P456 HydrophobicContact CE2-CB 3.83Å; F101-P456 HydrophobicContact CG-CB 4Å; F101-P456 HydrophobicContact CG-CG 4.18Å; F101-P456 HydrophobicContact CZ-CB 4.17Å; I454-P456 WeakPolarHBondContact O-CD 3.29Å
457	E	97.1	Very high	94.5	Very high	8 Å²	8	21 Å²	21	4%	0.037	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.4	-173	174	66.4	-84.3	0	0	111.3	S88 M438 A455 S459 M463 T466 Y512 M513 L515	S88-E457 VanDerWaalsContact CB-OE1 3.3Å; S88-E457 WeakPolarHBondContact CB-OE1 3.31Å; S88-E457 PolarHBondContact OG-OE1 3.3Å; M438-E457 WeakPolarHBondContact CE-OE2 3.32Å; A455-E457 PolarHBondContact O-N 3.48Å; E457-S459 WeakPolarHBondContact OE1-CA 3.25Å; E457-S459 WeakPolarHBondContact OE1-CB 3.5Å; E457-S459 PolarHBondContact OE1-N 2.73Å; E457-S459 PolarHBondContact OE1-OG 3.41Å; E457-M463 HydrophobicContact CB-CE 4.45Å; E457-M463 HydrophobicContact CG-CE 3.44Å; E457-M463 VanDerWaalsContact CG-CE 3.44Å; E457-T466 PolarHBondContact OE2-OG1 3.5Å; E457-Y512 HydrophobicContact CB-CD2 4.47Å; E457-Y512 HydrophobicContact CB-CE1 4.28Å; E457-Y512 HydrophobicContact CB-CE2 3.92Å; E457-Y512 HydrophobicContact CG-CE1 4.16Å; E457-Y512 HydrophobicContact CG-CE2 3.98Å; E457-Y512 VanDerWaalsContact CG-OH 3.26Å; E457-Y512 WeakPolarHBondContact CG-OH 3.41Å; E457-Y512 WeakPolarHBondContact OE2-CE2 3.48Å; E457-Y512 PolarHBondContact OE2-OH 3.03Å; E457-M513 PolarHBondContact N-O 3.41Å; E457-L515 WeakPolarHBondContact O-CB 3.47Å; E457-L515 PolarHBondContact O-N 3.26Å
458	S	96.4	Very high	94.5	Very high	3 Å²	3	21 Å²	21	2%	0.021	13%	0.132	C	C	.	.			trans	-128.9	13.3	-176.8	-64.2	0	0	0	0	112	S88 R93 S97	S88-S458 WeakPolarHBondContact OG-CA 3.39Å; S88-S458 PolarHBondContact OG-N 3.08Å; R93-S458 VanDerWaalsContact CZ-O 3.23Å; R93-S458 PolarHBondContact NE-O 2.94Å; R93-S458 PolarHBondContact NH2-O 3.48Å; S97-S458 PolarHBondContact OG-OG 2.72Å
459	S	93.4	Very high	94.4	Very high	13 Å²	13	24 Å²	24	9%	0.091	15%	0.148	C	C	.	.			trans	-56.6	150	178.6	-62.2	0	0	0	0	113	S88 G89 R93 N437 E457 T466 M531	S88-S459 PolarHBondContact OG-N 3.36Å; G89-S459 WeakPolarHBondContact O-CA 3.41Å; R93-S459 VanDerWaalsContact NH2-C 3.33Å; N437-S459 VanDerWaalsContact ND2-CB 3.28Å; N437-S459 WeakPolarHBondContact ND2-CB 3.49Å; N437-S459 PolarHBondContact ND2-OG 2.92Å; E457-S459 WeakPolarHBondContact OE1-CA 3.25Å; E457-S459 WeakPolarHBondContact OE1-CB 3.5Å; E457-S459 PolarHBondContact OE1-N 2.73Å; E457-S459 PolarHBondContact OE1-OG 3.41Å; S459-T466 PolarHBondContact OG-OG1 3.3Å; S459-M531 WeakPolarHBondContact O-CE 3.34Å
460	A	82.8	Confident	94.4	Very high	60 Å²	60	21.7 Å²	21.7	50%	0.496	14%	0.136	S	C	.	.	S	Bend	trans	-81	-18	174.6	0	0	0	0	0	113.6	R93	R93-A460 VanDerWaalsContact NH2-N 3.11Å
461	G	82.3	Confident	94.2	Very high	45 Å²	45	24.4 Å²	24.4	46%	0.464	15%	0.146	S	C	.	.	S	Bend	trans	-74.6	-168.9	-174.6	0	0	0	0	0	114
462	T	89.2	Confident	94	Very high	92 Å²	92	28 Å²	28	56%	0.564	17%	0.165	S	C	*	.			trans	-68.9	136.6	178.4	-56.5	0	0	0	0	109.5	F464 E465	T462-F464 PolarHBondContact O-N 3.38Å; T462-E465 PolarHBondContact N-OE2 2.72Å; T462-E465 WeakPolarHBondContact O-CB 3.42Å; T462-E465 PolarHBondContact O-N 3.41Å
463	M	94.8	Very high	93.7	Very high	30 Å²	30	28.3 Å²	28.3	15%	0.148	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	133.3	177.3	-167.9	72.5	-91	0	0	110.7	E457 E465 S492 P495 Y512 P514	E457-M463 HydrophobicContact CB-CE 4.45Å; E457-M463 HydrophobicContact CG-CE 3.44Å; E457-M463 VanDerWaalsContact CG-CE 3.44Å; M463-E465 PolarHBondContact O-N 3.06Å; M463-S492 WeakPolarHBondContact CB-O 3.39Å; M463-P495 HydrophobicContact CG-CB 3.98Å; M463-P495 HydrophobicContact CG-CG 4.02Å; M463-P495 HydrophobicContact SD-CB 4.13Å; M463-P495 HydrophobicContact SD-CG 3.74Å; M463-Y512 HydrophobicContact CE-CE1 3.29Å; M463-Y512 VanDerWaalsContact CE-CZ 3.43Å; M463-Y512 WeakPolarHBondContact CE-OH 3.46Å; M463-P514 HydrophobicContact CE-CB 4.23Å; M463-P514 HydrophobicContact CE-CG 4.03Å; M463-P514 HydrophobicContact SD-CB 3.72Å; M463-P514 HydrophobicContact SD-CG 3.83Å
464	F	95.1	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	-6.1	-173.7	-45.3	-67.5	0	0	0	116.8	T462 T466 L467 I468 I488 L489 P495 Y499 Y512	T462-F464 PolarHBondContact O-N 3.38Å; F464-T466 VanDerWaalsContact C-N 3.32Å; F464-T466 PolarHBondContact O-N 3.36Å; F464-L467 WeakPolarHBondContact O-CB 3.23Å; F464-L467 PolarHBondContact O-N 3.38Å; F464-I468 WeakPolarHBondContact O-CG1 3.32Å; F464-I468 PolarHBondContact O-N 3.24Å; F464-I488 HydrophobicContact CB-CD1 4.09Å; F464-I488 HydrophobicContact CD1-CD1 3.79Å; F464-I488 HydrophobicContact CD2-CD1 4.34Å; F464-I488 HydrophobicContact CD2-CG1 4.29Å; F464-I488 HydrophobicContact CE1-CD1 4.28Å; F464-I488 HydrophobicContact CE2-CB 4.4Å; F464-I488 WeakPolarHBondContact CE2-O 3.35Å; F464-I488 HydrophobicContact CG-CD1 3.82Å; F464-I488 HydrophobicContact CG-CG1 4.25Å; F464-I488 HydrophobicContact CZ-CB 4.49Å; F464-L489 HydrophobicContact CB-CD2 4.05Å; F464-L489 HydrophobicContact CD2-CD2 4.41Å; F464-P495 HydrophobicContact CZ-CB 4.44Å; F464-Y499 AromaticContact CE1-CD2 3.98Å; F464-Y499 HydrophobicContact CE1-CD2 3.98Å; F464-Y499 HydrophobicContact CE1-CE1 4.43Å; F464-Y499 AromaticContact CE1-CE2 3.82Å; F464-Y499 HydrophobicContact CE1-CE2 3.82Å; F464-Y499 HydrophobicContact CE1-CG 4.35Å; F464-Y499 HydrophobicContact CZ-CD2 4.28Å; F464-Y499 HydrophobicContact CZ-CE1 4.02Å; F464-Y499 AromaticContact CZ-CE2 3.67Å; F464-Y499 HydrophobicContact CZ-CE2 3.67Å; F464-Y499 AromaticContact CZ-CZ 3.51Å; F464-Y512 HydrophobicContact CD1-CD1 4.1Å; F464-Y512 AromaticContact CD1-CE1 3.5Å; F464-Y512 HydrophobicContact CD1-CE1 3.5Å; F464-Y512 VanDerWaalsContact CD1-CE1 3.5Å; F464-Y512 AromaticContact CE1-CD1 3.9Å; F464-Y512 HydrophobicContact CE1-CD1 3.9Å; F464-Y512 AromaticContact CE1-CE1 3.59Å; F464-Y512 HydrophobicContact CE1-CE1 3.59Å; F464-Y512 PolarHBondContact N-OH 3.15Å
465	E	92.2	Very high	93.3	Very high	88 Å²	88	31.6 Å²	31.6	41%	0.411	19%	0.193	S	C	.	.	H	α-helix	trans	-54.4	-48.9	176.9	-179.4	172.7	-162	0	0	111.5	T462 M463 L467 I468 L469	T462-E465 PolarHBondContact N-OE2 2.72Å; T462-E465 WeakPolarHBondContact O-CB 3.42Å; T462-E465 PolarHBondContact O-N 3.41Å; M463-E465 PolarHBondContact O-N 3.06Å; E465-L467 PolarHBondContact O-N 2.88Å; E465-I468 PolarHBondContact O-N 3.31Å; E465-I468 VanDerWaalsContact O-N 3.16Å; E465-L469 HydrophobicContact CG-CD1 3.89Å; E465-L469 HydrophobicContact CG-CG 4.42Å; E465-L469 WeakPolarHBondContact O-CB 3.47Å; E465-L469 WeakPolarHBondContact O-CG 3.42Å; E465-L469 PolarHBondContact O-N 2.85Å
466	T	92.8	Very high	92.9	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.049	22%	0.216	C	C	.	.	H	α-helix	trans	-55.8	-38.6	176.5	-48.8	0	0	0	0	112.5	I436 N437 M438 Y440 E457 S459 F464 A470	I436-T466 HydrophobicContact CG2-CG2 3.98Å; N437-T466 HydrophobicContact CB-CG2 4.26Å; M438-T466 HydrophobicContact CB-CG2 3.74Å; M438-T466 HydrophobicContact CE-CG2 3.61Å; M438-T466 HydrophobicContact CG-CG2 3.97Å; Y440-T466 HydrophobicContact CE2-CG2 4.35Å; E457-T466 PolarHBondContact OE2-OG1 3.5Å; S459-T466 PolarHBondContact OG-OG1 3.3Å; F464-T466 VanDerWaalsContact C-N 3.32Å; F464-T466 PolarHBondContact O-N 3.36Å; T466-A470 VanDerWaalsContact O-CB 3.32Å; T466-A470 WeakPolarHBondContact O-CB 3.43Å; T466-A470 PolarHBondContact O-N 2.97Å
467	L	94.8	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.6	-40.2	-178.9	-170.1	75	0	0	0	111.4	Y440 F464 E465 A470 R471 F481 I484 I488 F501 I510 Y512	Y440-L467 HydrophobicContact CE2-CD1 4.35Å; Y440-L467 WeakPolarHBondContact OH-CD1 3.48Å; F464-L467 WeakPolarHBondContact O-CB 3.23Å; F464-L467 PolarHBondContact O-N 3.38Å; E465-L467 PolarHBondContact O-N 2.88Å; L467-A470 PolarHBondContact O-N 3.21Å; L467-R471 PolarHBondContact O-N 2.88Å; L467-F481 HydrophobicContact CD1-CZ 4.06Å; L467-I484 HydrophobicContact CD1-CD1 4.1Å; L467-I484 HydrophobicContact CD2-CD1 3.47Å; L467-I484 VanDerWaalsContact CD2-CD1 3.47Å; L467-I484 HydrophobicContact CD2-CG1 4.15Å; L467-I484 HydrophobicContact CD2-CG2 4.45Å; L467-I484 HydrophobicContact CG-CD1 3.4Å; L467-I484 VanDerWaalsContact CG-CD1 3.4Å; L467-I488 HydrophobicContact CD2-CD1 4.17Å; L467-F501 HydrophobicContact CD2-CD2 3.95Å; L467-F501 HydrophobicContact CD2-CE1 4.05Å; L467-F501 HydrophobicContact CD2-CE2 3.39Å; L467-F501 HydrophobicContact CD2-CG 4.49Å; L467-F501 HydrophobicContact CD2-CZ 3.45Å; L467-F501 VanDerWaalsContact CD2-CZ 3.45Å; L467-I510 HydrophobicContact CD1-CD1 4.1Å; L467-I510 HydrophobicContact CD1-CG2 4.43Å; L467-Y512 HydrophobicContact CB-CE2 4.34Å; L467-Y512 HydrophobicContact CD1-CD2 4.43Å
468	I	94	Very high	92.3	Very high	28 Å²	28	44.7 Å²	44.7	14%	0.144	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-42.4	174.9	-62	-56.3	0	0	0	111	F464 E465 A470 R471 N472 I484 L489	F464-I468 WeakPolarHBondContact O-CG1 3.32Å; F464-I468 PolarHBondContact O-N 3.24Å; E465-I468 PolarHBondContact O-N 3.31Å; E465-I468 VanDerWaalsContact O-N 3.16Å; I468-A470 VanDerWaalsContact C-N 3.34Å; I468-A470 PolarHBondContact O-N 2.74Å; I468-R471 WeakPolarHBondContact O-CB 3.38Å; I468-R471 PolarHBondContact O-N 3.15Å; I468-N472 PolarHBondContact O-N 3.38Å; I468-N472 PolarHBondContact O-ND2 3.1Å; I468-N472 PolarHBondContact O-OD1 3.05Å; I468-I484 HydrophobicContact CD1-CG2 4.17Å; I468-L489 HydrophobicContact CG1-CD2 4.4Å
469	L	93.1	Very high	92.2	Very high	69 Å²	69	48.3 Å²	48.3	36%	0.361	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-43.4	174.8	-69.9	170	0	0	0	111	I436 E465 R471 N472 Y473	I436-L469 HydrophobicContact CG1-CB 4.05Å; E465-L469 HydrophobicContact CG-CD1 3.89Å; E465-L469 HydrophobicContact CG-CG 4.42Å; E465-L469 WeakPolarHBondContact O-CB 3.47Å; E465-L469 WeakPolarHBondContact O-CG 3.42Å; E465-L469 PolarHBondContact O-N 2.85Å; L469-R471 PolarHBondContact O-N 2.88Å; L469-N472 PolarHBondContact O-N 2.94Å; L469-Y473 VanDerWaalsContact O-CB 3.31Å; L469-Y473 WeakPolarHBondContact O-CB 3.46Å; L469-Y473 PolarHBondContact O-N 3.33Å
470	A	94.9	Very high	92.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-41.2	175.4	0	0	0	0	0	112.8	I436 Y440 T466 L467 I468 Y473 A474 F481	I436-A470 HydrophobicContact CG2-CB 4.22Å; Y440-A470 HydrophobicContact CD2-CB 3.36Å; Y440-A470 HydrophobicContact CE2-CB 3.94Å; Y440-A470 HydrophobicContact CG-CB 3.81Å; T466-A470 VanDerWaalsContact O-CB 3.32Å; T466-A470 WeakPolarHBondContact O-CB 3.43Å; T466-A470 PolarHBondContact O-N 2.97Å; L467-A470 PolarHBondContact O-N 3.21Å; I468-A470 VanDerWaalsContact C-N 3.34Å; I468-A470 PolarHBondContact O-N 2.74Å; A470-Y473 PolarHBondContact O-N 3.46Å; A470-A474 VanDerWaalsContact O-CB 3.3Å; A470-A474 WeakPolarHBondContact O-CB 3.47Å; A470-A474 PolarHBondContact O-N 3.4Å; A470-F481 HydrophobicContact CB-CE2 3.89Å; A470-F481 HydrophobicContact CB-CZ 3.85Å
471	R	95.2	Very high	93	Very high	61 Å²	61	47.3 Å²	47.3	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-48.5	173.6	-179.7	-171.6	69.4	-170.8	-0.3	111.5	L467 I468 L469 A474 A475 F481 I484 D486	L467-R471 PolarHBondContact O-N 2.88Å; I468-R471 WeakPolarHBondContact O-CB 3.38Å; I468-R471 PolarHBondContact O-N 3.15Å; L469-R471 PolarHBondContact O-N 2.88Å; R471-A474 PolarHBondContact O-N 2.9Å; R471-A475 PolarHBondContact O-N 2.93Å; R471-F481 HydrophobicContact CB-CD1 3.84Å; R471-F481 HydrophobicContact CB-CE1 3.74Å; R471-F481 HydrophobicContact CG-CD1 4.1Å; R471-F481 HydrophobicContact CG-CE1 4.41Å; R471-I484 HydrophobicContact CB-CD1 4.29Å; R471-I484 PolarHBondContact NH1-O 3.1Å; R471-D486 IonicContact CZ-OD1 3.56Å; R471-D486 IonicContact NH1-OD1 2.73Å; R471-D486 PolarHBondContact NH1-OD1 3.46Å; R471-D486 IonicContact NH2-OD1 3.45Å; R471-D486 PolarHBondContact NH2-OD1 3.38Å
472	N	92.8	Very high	93.7	Very high	79 Å²	79	45.2 Å²	45.2	42%	0.422	24%	0.241	S	C	.	.	H	α-helix	trans	-67	-42.3	-177.7	-64.2	-10.4	0	0	0	111	I468 L469 A475 E476	I468-N472 PolarHBondContact O-N 3.38Å; I468-N472 PolarHBondContact O-ND2 3.1Å; I468-N472 PolarHBondContact O-OD1 3.05Å; L469-N472 PolarHBondContact O-N 2.94Å; N472-A475 PolarHBondContact O-N 3.43Å; N472-E476 PolarHBondContact O-N 3.08Å
473	Y	92.9	Very high	93.9	Very high	6 Å²	6	47.8 Å²	47.8	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-49.4	172.4	171.9	-86.5	0	0	0	111.7	L221 E237 I436 P441 L444 L469 A470 A475 E476 V477	L221-Y473 HydrophobicContact CD1-CD2 3.5Å; L221-Y473 VanDerWaalsContact CD1-CD2 3.5Å; L221-Y473 HydrophobicContact CD1-CE2 3.83Å; L221-Y473 HydrophobicContact CD1-CG 4.38Å; L221-Y473 HydrophobicContact CD2-CD2 4.01Å; L221-Y473 HydrophobicContact CG-CD2 4.25Å; E237-Y473 VanDerWaalsContact CD-OH 3.3Å; E237-Y473 WeakPolarHBondContact CG-OH 3.28Å; E237-Y473 PolarHBondContact OE1-OH 2.68Å; E237-Y473 VanDerWaalsContact OE1-OH 3.13Å; I436-Y473 HydrophobicContact CD1-CD1 4.16Å; I436-Y473 HydrophobicContact CD1-CD2 3.82Å; I436-Y473 HydrophobicContact CD1-CG 3.56Å; P441-Y473 HydrophobicContact CB-CD1 4.44Å; P441-Y473 HydrophobicContact CB-CE1 3.63Å; P441-Y473 HydrophobicContact CG-CD1 4.1Å; P441-Y473 HydrophobicContact CG-CE1 3.76Å; P441-Y473 HydrophobicContact CG-CE2 4.49Å; L444-Y473 HydrophobicContact CD1-CD1 4.49Å; L469-Y473 VanDerWaalsContact O-CB 3.31Å; L469-Y473 WeakPolarHBondContact O-CB 3.46Å; L469-Y473 PolarHBondContact O-N 3.33Å; A470-Y473 PolarHBondContact O-N 3.46Å; Y473-A475 VanDerWaalsContact C-N 3.28Å; Y473-A475 PolarHBondContact O-N 3.3Å; Y473-E476 PolarHBondContact O-N 2.83Å; Y473-E476 VanDerWaalsContact O-N 3.11Å; Y473-V477 HydrophobicContact CD1-CG2 3.92Å; Y473-V477 HydrophobicContact CE1-CG1 4.35Å; Y473-V477 HydrophobicContact CE1-CG2 3.55Å; Y473-V477 HydrophobicContact CE2-CG1 4.07Å; Y473-V477 VanDerWaalsContact O-CG2 3.23Å; Y473-V477 WeakPolarHBondContact O-CG2 3.26Å; Y473-V477 PolarHBondContact O-N 3.38Å
474	A	94.7	Very high	93.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-40.6	180	0	0	0	0	0	111.9	L444 A470 R471 N478 K479 F481	L444-A474 HydrophobicContact CD1-CB 3.81Å; A470-A474 VanDerWaalsContact O-CB 3.3Å; A470-A474 WeakPolarHBondContact O-CB 3.47Å; A470-A474 PolarHBondContact O-N 3.4Å; R471-A474 PolarHBondContact O-N 2.9Å; A474-N478 PolarHBondContact O-N 3.28Å; A474-K479 HydrophobicContact CB-CB 4.36Å; A474-K479 PolarHBondContact O-N 2.93Å; A474-F481 HydrophobicContact CB-CB 3.57Å; A474-F481 HydrophobicContact CB-CD2 3.91Å; A474-F481 HydrophobicContact CB-CG 3.92Å
475	A	93.7	Very high	93.5	Very high	70 Å²	70	51.4 Å²	51.4	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-62.2	-46.1	174.5	0	0	0	0	0	112	R471 N472 Y473 V477 N478	R471-A475 PolarHBondContact O-N 2.93Å; N472-A475 PolarHBondContact O-N 3.43Å; Y473-A475 VanDerWaalsContact C-N 3.28Å; Y473-A475 PolarHBondContact O-N 3.3Å; A475-V477 PolarHBondContact O-N 3.45Å; A475-N478 PolarHBondContact O-N 3.37Å
476	E	91.1	Very high	93.3	Very high	103 Å²	103	51.2 Å²	51.2	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-40.9	179.5	-174.4	65.1	-159.3	0	0	112.3	P220 L221 N472 Y473 N478	P220-E476 HydrophobicContact CG-CG 4.25Å; P220-E476 VanDerWaalsContact CG-OE1 3.22Å; P220-E476 WeakPolarHBondContact CG-OE1 3.02Å; L221-E476 HydrophobicContact CD1-CB 3.96Å; L221-E476 HydrophobicContact CD1-CG 3.66Å; L221-E476 HydrophobicContact CD2-CB 4.25Å; L221-E476 HydrophobicContact CD2-CG 4.34Å; L221-E476 HydrophobicContact CG-CB 4.27Å; L221-E476 HydrophobicContact CG-CG 3.88Å; N472-E476 PolarHBondContact O-N 3.08Å; Y473-E476 PolarHBondContact O-N 2.83Å; Y473-E476 VanDerWaalsContact O-N 3.11Å; E476-N478 VanDerWaalsContact C-N 3.31Å; E476-N478 PolarHBondContact O-N 3.06Å
477	V	89.8	Confident	93.2	Very high	34 Å²	34	57.1 Å²	57.1	21%	0.206	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.9	179.2	-58.4	0	0	0	0	113.8	L221 E237 Y473 A475 K479	L221-V477 HydrophobicContact CD1-CG1 3.97Å; E237-V477 HydrophobicContact CG-CG1 4.28Å; Y473-V477 HydrophobicContact CD1-CG2 3.92Å; Y473-V477 HydrophobicContact CE1-CG1 4.35Å; Y473-V477 HydrophobicContact CE1-CG2 3.55Å; Y473-V477 HydrophobicContact CE2-CG1 4.07Å; Y473-V477 VanDerWaalsContact O-CG2 3.23Å; Y473-V477 WeakPolarHBondContact O-CG2 3.26Å; Y473-V477 PolarHBondContact O-N 3.38Å; A475-V477 PolarHBondContact O-N 3.45Å; V477-K479 VanDerWaalsContact C-N 3.33Å; V477-K479 HydrophobicContact CB-CG 4.37Å; V477-K479 HydrophobicContact CG2-CB 4.07Å; V477-K479 HydrophobicContact CG2-CG 3.46Å; V477-K479 VanDerWaalsContact CG2-CG 3.46Å; V477-K479 PolarHBondContact O-N 3.42Å
478	N	92.4	Very high	93.1	Very high	149 Å²	149	58.1 Å²	58.1	80%	0.797	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	44.5	-179.9	-60.6	-74.5	0	0	0	113.9	A474 A475 E476	A474-N478 PolarHBondContact O-N 3.28Å; A475-N478 PolarHBondContact O-N 3.37Å; E476-N478 VanDerWaalsContact C-N 3.31Å; E476-N478 PolarHBondContact O-N 3.06Å
479	K	94.6	Very high	93	Very high	79 Å²	79	60.3 Å²	60.3	34%	0.343	31%	0.311	S	S	.	.			trans	-106.1	144.5	176.9	-64	-69.9	-178.3	169.6	0	111.1	L444 A474 V477 F481	L444-K479 HydrophobicContact CB-CB 3.99Å; L444-K479 HydrophobicContact CB-CG 4.34Å; A474-K479 HydrophobicContact CB-CB 4.36Å; A474-K479 PolarHBondContact O-N 2.93Å; V477-K479 VanDerWaalsContact C-N 3.33Å; V477-K479 HydrophobicContact CB-CG 4.37Å; V477-K479 HydrophobicContact CG2-CB 4.07Å; V477-K479 HydrophobicContact CG2-CG 3.46Å; V477-K479 VanDerWaalsContact CG2-CG 3.46Å; V477-K479 PolarHBondContact O-N 3.42Å; K479-F481 PolarHBondContact O-N 3.44Å
480	P	95.6	Very high	92.9	Very high	36 Å²	36	64.8 Å²	64.8	23%	0.234	33%	0.33	C	S	.	.			trans	-68.2	134.2	179.2	30.2	-35.3	0	0	0	110.4	K506 E507	P480-K506 HydrophobicContact CB-CB 4.17Å; P480-K506 HydrophobicContact CG-CB 4.13Å; P480-K506 WeakPolarHBondContact CG-O 3.5Å; P480-E507 HydrophobicContact CB-CB 4.41Å; P480-E507 HydrophobicContact CB-CG 3.85Å
481	F	97.4	Very high	92.8	Very high	16 Å²	16	67.7 Å²	67.7	7%	0.07	34%	0.343	C	S	.	.			trans	-148.3	138.9	179.9	-162.3	-92.2	0	0	0	109.8	Y440 L444 L467 A470 R471 A474 K479 I484 I510	Y440-F481 HydrophobicContact CD1-CE2 4.37Å; L444-F481 HydrophobicContact CD1-CD2 3.95Å; L444-F481 HydrophobicContact CD1-CE2 4.4Å; L444-F481 HydrophobicContact CD2-CD2 3.66Å; L444-F481 HydrophobicContact CD2-CE2 4.18Å; L444-F481 HydrophobicContact CG-CD2 4.46Å; L467-F481 HydrophobicContact CD1-CZ 4.06Å; A470-F481 HydrophobicContact CB-CE2 3.89Å; A470-F481 HydrophobicContact CB-CZ 3.85Å; R471-F481 HydrophobicContact CB-CD1 3.84Å; R471-F481 HydrophobicContact CB-CE1 3.74Å; R471-F481 HydrophobicContact CG-CD1 4.1Å; R471-F481 HydrophobicContact CG-CE1 4.41Å; A474-F481 HydrophobicContact CB-CB 3.57Å; A474-F481 HydrophobicContact CB-CD2 3.91Å; A474-F481 HydrophobicContact CB-CG 3.92Å; K479-F481 PolarHBondContact O-N 3.44Å; F481-I484 HydrophobicContact CD1-CD1 4.4Å; F481-I484 HydrophobicContact CE1-CD1 3.58Å; F481-I484 HydrophobicContact CE1-CG1 4.49Å; F481-I484 HydrophobicContact CZ-CD1 4.46Å; F481-I510 HydrophobicContact CE1-CD1 4.19Å; F481-I510 HydrophobicContact CE2-CD1 3.81Å; F481-I510 HydrophobicContact CZ-CD1 3.56Å
482	P	96.6	Very high	92.7	Very high	1 Å²	1	66 Å²	66	1%	0.006	34%	0.34	C	S	.	.			trans	-61.5	147	-177.7	25.5	-35	0	0	0	111.9	I484 F501 I510	P482-I484 PolarHBondContact O-N 3.36Å; P482-F501 HydrophobicContact CB-CB 4.22Å; P482-F501 HydrophobicContact CG-CB 4.17Å; P482-I510 HydrophobicContact CG-CD1 3.55Å; P482-I510 HydrophobicContact CG-CG1 3.93Å
483	Q	93.8	Very high	92.8	Very high	147 Å²	147	67.7 Å²	67.7	69%	0.687	35%	0.35	S	S	*	.			trans	-63.8	135.3	173.4	-69	-67.9	-38.3	0	0	110.7
484	I	92.6	Very high	93	Very high	11 Å²	11	72.1 Å²	72.1	6%	0.056	37%	0.366	C	S	.	.			trans	-123.1	120.1	177.2	-64	165.1	0	0	0	108.5	L467 I468 R471 F481 P482 I488 F501	L467-I484 HydrophobicContact CD1-CD1 4.1Å; L467-I484 HydrophobicContact CD2-CD1 3.47Å; L467-I484 VanDerWaalsContact CD2-CD1 3.47Å; L467-I484 HydrophobicContact CD2-CG1 4.15Å; L467-I484 HydrophobicContact CD2-CG2 4.45Å; L467-I484 HydrophobicContact CG-CD1 3.4Å; L467-I484 VanDerWaalsContact CG-CD1 3.4Å; I468-I484 HydrophobicContact CD1-CG2 4.17Å; R471-I484 HydrophobicContact CB-CD1 4.29Å; R471-I484 PolarHBondContact NH1-O 3.1Å; F481-I484 HydrophobicContact CD1-CD1 4.4Å; F481-I484 HydrophobicContact CE1-CD1 3.58Å; F481-I484 HydrophobicContact CE1-CG1 4.49Å; F481-I484 HydrophobicContact CZ-CD1 4.46Å; P482-I484 PolarHBondContact O-N 3.36Å; I484-I488 HydrophobicContact CG2-CD1 3.43Å; I484-I488 VanDerWaalsContact CG2-CD1 3.43Å; I484-I488 HydrophobicContact CG2-CG1 4.15Å; I484-F501 HydrophobicContact CG1-CD1 3.99Å; I484-F501 HydrophobicContact CG1-CE1 4.34Å; I484-F501 HydrophobicContact CG1-CG 4.47Å; I484-F501 HydrophobicContact CG2-CE1 4.23Å
485	D	88.4	Confident	93.2	Very high	95 Å²	95	72.1 Å²	72.1	51%	0.508	37%	0.367	S	S	.	.			trans	-76.5	120.9	171	-172.1	-21.3	0	0	0	109.1	K487 I488	D485-K487 PolarHBondContact O-N 2.95Å; D485-K487 WeakPolarHBondContact OD1-CB 3.25Å; D485-K487 VanDerWaalsContact OD1-CG 3.27Å; D485-K487 WeakPolarHBondContact OD1-CG 3.28Å; D485-K487 PolarHBondContact OD1-N 3.48Å; D485-K487 IonicContact OD2-NZ 3.76Å; D485-I488 WeakPolarHBondContact O-CG1 3.44Å; D485-I488 WeakPolarHBondContact O-CG2 3.42Å; D485-I488 PolarHBondContact O-N 3.39Å; D485-I488 VanDerWaalsContact O-N 3.13Å
486	D	88.6	Confident	93.4	Very high	83 Å²	83	72.6 Å²	72.6	44%	0.444	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-62	-11.9	-178.9	-68.9	-22.9	0	0	0	113.1	R471 I488 L489	R471-D486 IonicContact CZ-OD1 3.56Å; R471-D486 IonicContact NH1-OD1 2.73Å; R471-D486 PolarHBondContact NH1-OD1 3.46Å; R471-D486 IonicContact NH2-OD1 3.45Å; R471-D486 PolarHBondContact NH2-OD1 3.38Å; D486-I488 PolarHBondContact O-N 3.19Å; D486-I488 VanDerWaalsContact O-N 3.13Å; D486-L489 HydrophobicContact CB-CD1 4.28Å; D486-L489 VanDerWaalsContact O-CB 3.24Å; D486-L489 WeakPolarHBondContact O-CB 3.39Å; D486-L489 VanDerWaalsContact O-CG 3.22Å; D486-L489 WeakPolarHBondContact O-CG 3.27Å; D486-L489 PolarHBondContact O-N 2.83Å
487	K	90.4	Very high	93.7	Very high	132 Å²	132	68.8 Å²	68.8	57%	0.574	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-57.5	-22.6	170.2	-71.2	174.7	-167.9	160.9	0	113.8	D485 L489 E490	D485-K487 PolarHBondContact O-N 2.95Å; D485-K487 WeakPolarHBondContact OD1-CB 3.25Å; D485-K487 VanDerWaalsContact OD1-CG 3.27Å; D485-K487 WeakPolarHBondContact OD1-CG 3.28Å; D485-K487 PolarHBondContact OD1-N 3.48Å; D485-K487 IonicContact OD2-NZ 3.76Å; K487-L489 PolarHBondContact O-N 3.02Å; K487-L489 VanDerWaalsContact O-N 3.13Å; K487-E490 VanDerWaalsContact O-CB 3.29Å; K487-E490 WeakPolarHBondContact O-CB 3.32Å; K487-E490 WeakPolarHBondContact O-CG 3.24Å; K487-E490 PolarHBondContact O-N 3.38Å
488	I	92.2	Very high	94.1	Very high	22 Å²	22	67.9 Å²	67.9	11%	0.113	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-59	-24.6	174.2	66.5	171.5	0	0	0	112.3	F464 L467 I484 D485 D486 E490 E491 F501	F464-I488 HydrophobicContact CB-CD1 4.09Å; F464-I488 HydrophobicContact CD1-CD1 3.79Å; F464-I488 HydrophobicContact CD2-CD1 4.34Å; F464-I488 HydrophobicContact CD2-CG1 4.29Å; F464-I488 HydrophobicContact CE1-CD1 4.28Å; F464-I488 HydrophobicContact CE2-CB 4.4Å; F464-I488 WeakPolarHBondContact CE2-O 3.35Å; F464-I488 HydrophobicContact CG-CD1 3.82Å; F464-I488 HydrophobicContact CG-CG1 4.25Å; F464-I488 HydrophobicContact CZ-CB 4.49Å; L467-I488 HydrophobicContact CD2-CD1 4.17Å; I484-I488 HydrophobicContact CG2-CD1 3.43Å; I484-I488 VanDerWaalsContact CG2-CD1 3.43Å; I484-I488 HydrophobicContact CG2-CG1 4.15Å; D485-I488 WeakPolarHBondContact O-CG1 3.44Å; D485-I488 WeakPolarHBondContact O-CG2 3.42Å; D485-I488 PolarHBondContact O-N 3.39Å; D485-I488 VanDerWaalsContact O-N 3.13Å; D486-I488 PolarHBondContact O-N 3.19Å; D486-I488 VanDerWaalsContact O-N 3.13Å; I488-E490 PolarHBondContact O-N 2.92Å; I488-E491 PolarHBondContact O-N 3.37Å; I488-F501 HydrophobicContact CD1-CE1 3.93Å; I488-F501 HydrophobicContact CD1-CZ 3.86Å; I488-F501 HydrophobicContact CG2-CE1 4.23Å
489	L	91.3	Very high	94.3	Very high	74 Å²	74	61.7 Å²	61.7	39%	0.387	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-65.3	-20.9	178.5	-59.1	176.3	0	0	0	112.2	F464 I468 D486 K487 E491 S492	F464-L489 HydrophobicContact CB-CD2 4.05Å; F464-L489 HydrophobicContact CD2-CD2 4.41Å; I468-L489 HydrophobicContact CG1-CD2 4.4Å; D486-L489 HydrophobicContact CB-CD1 4.28Å; D486-L489 VanDerWaalsContact O-CB 3.24Å; D486-L489 WeakPolarHBondContact O-CB 3.39Å; D486-L489 VanDerWaalsContact O-CG 3.22Å; D486-L489 WeakPolarHBondContact O-CG 3.27Å; D486-L489 PolarHBondContact O-N 2.83Å; K487-L489 PolarHBondContact O-N 3.02Å; K487-L489 VanDerWaalsContact O-N 3.13Å; L489-E491 PolarHBondContact O-N 3.02Å; L489-S492 VanDerWaalsContact O-CB 3.24Å; L489-S492 WeakPolarHBondContact O-CB 3.29Å; L489-S492 PolarHBondContact O-N 2.9Å; L489-S492 PolarHBondContact O-OG 3.3Å
490	E	92	Very high	94.5	Very high	163 Å²	163	60.1 Å²	60.1	76%	0.762	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-65	-25.5	172.4	-60.7	177.6	-172	0	0	112	K487 I488	K487-E490 VanDerWaalsContact O-CB 3.29Å; K487-E490 WeakPolarHBondContact O-CB 3.32Å; K487-E490 WeakPolarHBondContact O-CG 3.24Å; K487-E490 PolarHBondContact O-N 3.38Å; I488-E490 PolarHBondContact O-N 2.92Å
491	E	93.3	Very high	94.6	Very high	60 Å²	60	59.2 Å²	59.2	28%	0.28	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-93.3	3.4	179	-58.4	-175.1	-151.7	0	0	112.9	I488 L489 N493 W494 P495 K496 Y499	I488-E491 PolarHBondContact O-N 3.37Å; L489-E491 PolarHBondContact O-N 3.02Å; E491-N493 PolarHBondContact O-N 2.96Å; E491-W494 CarbonylContact O-C 3.59Å; E491-W494 VanDerWaalsContact O-C 3.27Å; E491-W494 PolarHBondContact O-N 2.93Å; E491-P495 VanDerWaalsContact O-CA 3.31Å; E491-P495 WeakPolarHBondContact O-CA 3.12Å; E491-K496 IonicContact OE1-NZ 3Å; E491-K496 PolarHBondContact OE1-NZ 3.49Å; E491-K496 VanDerWaalsContact OE2-CE 3.31Å; E491-K496 WeakPolarHBondContact OE2-CE 3.4Å; E491-K496 IonicContact OE2-NZ 2.62Å; E491-K496 PolarHBondContact OE2-NZ 3.19Å; E491-Y499 PolarHBondContact OE2-OH 3.48Å; E491-Y499 VanDerWaalsContact OE2-OH 3.13Å
492	S	92.7	Very high	94.6	Very high	25 Å²	25	64.2 Å²	64.2	18%	0.175	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.6	-171.3	54	0	0	0	0	114.8	M463 L489	M463-S492 WeakPolarHBondContact CB-O 3.39Å; L489-S492 VanDerWaalsContact O-CB 3.24Å; L489-S492 WeakPolarHBondContact O-CB 3.29Å; L489-S492 PolarHBondContact O-N 2.9Å; L489-S492 PolarHBondContact O-OG 3.3Å
493	N	95.3	Very high	94.5	Very high	116 Å²	116	64.4 Å²	64.4	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-20.9	-176.8	-66.2	-46.4	0	0	0	113.7	E491 A524	E491-N493 PolarHBondContact O-N 2.96Å; N493-A524 HydrophobicContact CB-CB 4.01Å; N493-A524 WeakPolarHBondContact O-CA 3.2Å; N493-A524 WeakPolarHBondContact O-CB 3.47Å
494	W	97.1	Very high	94.4	Very high	98 Å²	98	64.1 Å²	64.1	37%	0.371	31%	0.31	S	S	.	.	S	Bend	trans	-149.8	73.5	-179.3	-168.8	42.3	0	0	0	109.5	E491 Q518 C521 K522 D523 A524	E491-W494 CarbonylContact O-C 3.59Å; E491-W494 VanDerWaalsContact O-C 3.27Å; E491-W494 PolarHBondContact O-N 2.93Å; W494-Q518 HydrophobicContact CD2-CG 3.64Å; W494-Q518 HydrophobicContact CE3-CG 4.14Å; W494-Q518 HydrophobicContact CG-CG 3.95Å; W494-Q518 HydrophobicContact CH2-CG 4.41Å; W494-Q518 HydrophobicContact CZ2-CB 4.34Å; W494-Q518 HydrophobicContact CZ2-CG 3.94Å; W494-Q518 HydrophobicContact CZ3-CG 4.5Å; W494-Q518 PolarHBondContact O-NE2 2.92Å; W494-C521 PolarHBondContact NE1-O 3.36Å; W494-K522 WeakPolarHBondContact CZ2-O 3.44Å; W494-D523 VanDerWaalsContact CD1-C 3.47Å; W494-A524 HydrophobicContact CB-CB 4.05Å
495	P	97.4	Very high	94.1	Very high	1 Å²	1	72 Å²	72	1%	0.006	35%	0.347	C	S	.	.			trans	-76.5	155.8	-169	32.7	-38.1	0	0	0	112.1	M463 F464 E491 Y499 P514 F516 N517 Q518	M463-P495 HydrophobicContact CG-CB 3.98Å; M463-P495 HydrophobicContact CG-CG 4.02Å; M463-P495 HydrophobicContact SD-CB 4.13Å; M463-P495 HydrophobicContact SD-CG 3.74Å; F464-P495 HydrophobicContact CZ-CB 4.44Å; E491-P495 VanDerWaalsContact O-CA 3.31Å; E491-P495 WeakPolarHBondContact O-CA 3.12Å; P495-Y499 VanDerWaalsContact CA-OH 3.29Å; P495-Y499 WeakPolarHBondContact CA-OH 3.46Å; P495-Y499 HydrophobicContact CB-CE2 4.14Å; P495-Y499 WeakPolarHBondContact CB-OH 3.37Å; P495-P514 HydrophobicContact CB-CB 4.35Å; P495-P514 HydrophobicContact CB-CG 4.05Å; P495-P514 HydrophobicContact CG-CB 3.91Å; P495-P514 HydrophobicContact CG-CG 4.17Å; P495-F516 WeakPolarHBondContact CG-O 3.44Å; P495-N517 CarbonylContact O-C 3.58Å; P495-N517 VanDerWaalsContact O-CA 3.29Å; P495-N517 WeakPolarHBondContact O-CA 3.42Å; P495-N517 VanDerWaalsContact O-CB 3.31Å; P495-N517 WeakPolarHBondContact O-CB 3.25Å; P495-Q518 WeakPolarHBondContact O-CG 3.23Å; P495-Q518 PolarHBondContact O-N 2.89Å
496	K	97.8	Very high	94.2	Very high	80 Å²	80	73.3 Å²	73.3	35%	0.348	35%	0.348	S	S	.	.			trans	-58.7	159.6	161.8	-60	174.6	-177.9	114.8	0	110.9	E491 C498 Y499 P514	E491-K496 IonicContact OE1-NZ 3Å; E491-K496 PolarHBondContact OE1-NZ 3.49Å; E491-K496 VanDerWaalsContact OE2-CE 3.31Å; E491-K496 WeakPolarHBondContact OE2-CE 3.4Å; E491-K496 IonicContact OE2-NZ 2.62Å; E491-K496 PolarHBondContact OE2-NZ 3.19Å; K496-C498 VanDerWaalsContact C-N 3.29Å; K496-C498 PolarHBondContact O-N 2.95Å; K496-Y499 HydrophobicContact CB-CE1 4.19Å; K496-Y499 HydrophobicContact CB-CE2 3.91Å; K496-Y499 HydrophobicContact CD-CE1 4.06Å; K496-Y499 HydrophobicContact CG-CE1 4.32Å; K496-Y499 PolarHBondContact N-OH 3.41Å; K496-Y499 WeakPolarHBondContact O-CE2 3.4Å; K496-P514 WeakPolarHBondContact O-CG 3.36Å
497	D	97.4	Very high	94.5	Very high	23 Å²	23	71.2 Å²	71.2	12%	0.123	34%	0.336	C	S	.	.	S	Bend	trans	-72.1	-20.9	177	59.4	-34.6	0	0	0	113.7	N517 Q519 N560	D497-N517 HydrophobicContact CB-CB 4.21Å; D497-Q519 HydrophobicContact CB-CB 4.44Å; D497-Q519 HydrophobicContact CB-CG 3.7Å; D497-Q519 VanDerWaalsContact CG-CG 3.48Å; D497-Q519 WeakPolarHBondContact OD2-CG 3.24Å; D497-N560 PolarHBondContact OD2-ND2 3.49Å; D497-N560 PolarHBondContact OD2-OD1 3.1Å
498	C	98.3	Very high	94.9	Very high	14 Å²	14	65 Å²	65	10%	0.095	31%	0.309	C	S	.	.			trans	-152.5	141.1	177.3	-175.1	0	0	0	0	113.1	K496 I511 Y512 N560 I563	K496-C498 VanDerWaalsContact C-N 3.29Å; K496-C498 PolarHBondContact O-N 2.95Å; C498-I511 WeakPolarHBondContact SG-CG2 3.38Å; C498-Y512 WeakPolarHBondContact CA-O 3.41Å; C498-N560 HydrophobicContact CB-CB 4.23Å; C498-N560 VanDerWaalsContact CB-CG 3.47Å; C498-N560 WeakPolarHBondContact CB-OD1 3.38Å; C498-I563 HydrophobicContact CB-CD1 4.21Å
499	Y	98.4	Very high	95.2	Very high	19 Å²	19	64 Å²	64	8%	0.075	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.9	170.9	-58.3	-97.5	0	0	0	109.9	F464 E491 P495 K496 F501 I511 Y512 P514	F464-Y499 AromaticContact CE1-CD2 3.98Å; F464-Y499 HydrophobicContact CE1-CD2 3.98Å; F464-Y499 HydrophobicContact CE1-CE1 4.43Å; F464-Y499 AromaticContact CE1-CE2 3.82Å; F464-Y499 HydrophobicContact CE1-CE2 3.82Å; F464-Y499 HydrophobicContact CE1-CG 4.35Å; F464-Y499 HydrophobicContact CZ-CD2 4.28Å; F464-Y499 HydrophobicContact CZ-CE1 4.02Å; F464-Y499 AromaticContact CZ-CE2 3.67Å; F464-Y499 HydrophobicContact CZ-CE2 3.67Å; F464-Y499 AromaticContact CZ-CZ 3.51Å; E491-Y499 PolarHBondContact OE2-OH 3.48Å; E491-Y499 VanDerWaalsContact OE2-OH 3.13Å; P495-Y499 VanDerWaalsContact CA-OH 3.29Å; P495-Y499 WeakPolarHBondContact CA-OH 3.46Å; P495-Y499 HydrophobicContact CB-CE2 4.14Å; P495-Y499 WeakPolarHBondContact CB-OH 3.37Å; K496-Y499 HydrophobicContact CB-CE1 4.19Å; K496-Y499 HydrophobicContact CB-CE2 3.91Å; K496-Y499 HydrophobicContact CD-CE1 4.06Å; K496-Y499 HydrophobicContact CG-CE1 4.32Å; K496-Y499 PolarHBondContact N-OH 3.41Å; K496-Y499 WeakPolarHBondContact O-CE2 3.4Å; Y499-F501 HydrophobicContact CG-CZ 4.42Å; Y499-I511 CarbonylContact O-C 3.55Å; Y499-I511 WeakPolarHBondContact O-CA 3.48Å; Y499-Y512 HydrophobicContact CD2-CD1 4.16Å; Y499-Y512 PolarHBondContact N-O 3.27Å; Y499-Y512 PolarHBondContact O-N 3.24Å; Y499-P514 HydrophobicContact CD2-CG 4.36Å; Y499-P514 HydrophobicContact CE2-CG 4.01Å
500	V	98.3	Very high	95.5	Very high	47 Å²	47	60.5 Å²	60.5	29%	0.285	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.1	173.8	-179.9	0	0	0	0	108.6	T509 I510 I563 E567	V500-T509 HydrophobicContact CG1-CG2 3.82Å; V500-I510 WeakPolarHBondContact CA-O 3.49Å; V500-I563 HydrophobicContact CG2-CG2 3.55Å; V500-E567 HydrophobicContact CG1-CG 3.91Å; V500-E567 HydrophobicContact CG2-CG 4.14Å
501	F	97.9	Very high	95.8	Very high	17 Å²	17	52.8 Å²	52.8	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	100.8	173.1	-55.1	-79.2	0	0	0	107.9	L467 P482 I484 I488 Y499 G503 T509 I510 Y512	L467-F501 HydrophobicContact CD2-CD2 3.95Å; L467-F501 HydrophobicContact CD2-CE1 4.05Å; L467-F501 HydrophobicContact CD2-CE2 3.39Å; L467-F501 HydrophobicContact CD2-CG 4.49Å; L467-F501 HydrophobicContact CD2-CZ 3.45Å; L467-F501 VanDerWaalsContact CD2-CZ 3.45Å; P482-F501 HydrophobicContact CB-CB 4.22Å; P482-F501 HydrophobicContact CG-CB 4.17Å; I484-F501 HydrophobicContact CG1-CD1 3.99Å; I484-F501 HydrophobicContact CG1-CE1 4.34Å; I484-F501 HydrophobicContact CG1-CG 4.47Å; I484-F501 HydrophobicContact CG2-CE1 4.23Å; I488-F501 HydrophobicContact CD1-CE1 3.93Å; I488-F501 HydrophobicContact CD1-CZ 3.86Å; I488-F501 HydrophobicContact CG2-CE1 4.23Å; Y499-F501 HydrophobicContact CG-CZ 4.42Å; F501-G503 PolarHBondContact O-N 3.44Å; F501-T509 WeakPolarHBondContact O-CA 3.28Å; F501-I510 HydrophobicContact CB-CB 4.31Å; F501-I510 HydrophobicContact CD2-CB 4.32Å; F501-I510 HydrophobicContact CD2-CG2 4.39Å; F501-I510 PolarHBondContact N-O 3.45Å; F501-I510 PolarHBondContact O-N 3.43Å; F501-Y512 HydrophobicContact CE2-CG 4.3Å
502	E	96.9	Very high	96.1	Very high	121 Å²	121	49.9 Å²	49.9	57%	0.565	24%	0.236	S	C	*	.			trans	-72.1	121.1	-174.3	-174.4	168.2	-167.7	0	0	111.2
503	G	95.1	Very high	96.4	Very high	4 Å²	4	48.8 Å²	48.8	4%	0.041	23%	0.228	C	C	.	.			trans	-85.7	142.1	175.3	0	0	0	0	0	112.3	F501 P508 T509 R574	F501-G503 PolarHBondContact O-N 3.44Å; G503-P508 WeakPolarHBondContact CA-O 3.49Å; G503-T509 PolarHBondContact N-OG1 3.29Å; G503-T509 VanDerWaalsContact N-OG1 3.12Å; G503-R574 PolarHBondContact O-NH1 3.49Å
504	K	90.6	Very high	96.5	Very high	141 Å²	141	43.3 Å²	43.3	61%	0.613	20%	0.199	S	C	*	.			trans	-105.2	148	175.9	-61	174.7	-174.7	171.6	0	111.3	K506 E507	K504-K506 PolarHBondContact O-N 2.81Å; K504-E507 PolarHBondContact N-OE2 3.5Å; K504-E507 VanDerWaalsContact O-CB 3.26Å; K504-E507 WeakPolarHBondContact O-CB 3.42Å; K504-E507 VanDerWaalsContact O-CG 3.28Å; K504-E507 WeakPolarHBondContact O-CG 3.43Å; K504-E507 PolarHBondContact O-N 3.17Å
505	E	87.1	Confident	96.6	Very high	178 Å²	178	38.9 Å²	38.9	83%	0.832	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	-100.3	174.4	-58.9	-179.1	-177.8	0	0	113.9	K578	E505-K578 WeakPolarHBondContact O-CE 3.32Å
506	K	90.4	Very high	96.6	Very high	122 Å²	122	39.2 Å²	39.2	53%	0.53	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-4.9	179.5	-62.2	-173.5	178.5	-175	0	113.6	E446 P480 K504	E446-K506 IonicContact OE1-NZ 2.66Å; E446-K506 PolarHBondContact OE1-NZ 2.96Å; P480-K506 HydrophobicContact CB-CB 4.17Å; P480-K506 HydrophobicContact CG-CB 4.13Å; P480-K506 WeakPolarHBondContact CG-O 3.5Å; K504-K506 PolarHBondContact O-N 2.81Å
507	E	95.6	Very high	96.6	Very high	39 Å²	39	35.4 Å²	35.4	18%	0.182	17%	0.167	C	C	.	.	S	Bend	trans	-77.4	134.7	178.3	-54.9	165.4	177.9	0	0	110.4	P480 K504	P480-E507 HydrophobicContact CB-CB 4.41Å; P480-E507 HydrophobicContact CB-CG 3.85Å; K504-E507 PolarHBondContact N-OE2 3.5Å; K504-E507 VanDerWaalsContact O-CB 3.26Å; K504-E507 WeakPolarHBondContact O-CB 3.42Å; K504-E507 VanDerWaalsContact O-CG 3.28Å; K504-E507 WeakPolarHBondContact O-CG 3.43Å; K504-E507 PolarHBondContact O-N 3.17Å
508	P	97.3	Very high	96.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.013	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-67.9	147.3	170.1	28.6	-33.2	0	0	0	110.3	L444 I450 I453 G503	L444-P508 HydrophobicContact CD2-CG 4.1Å; I450-P508 HydrophobicContact CG2-CB 4.45Å; I453-P508 HydrophobicContact CD1-CB 3.87Å; I453-P508 HydrophobicContact CD1-CG 3.76Å; I453-P508 HydrophobicContact CG1-CB 4.01Å; I453-P508 HydrophobicContact CG1-CG 4.46Å; G503-P508 WeakPolarHBondContact CA-O 3.49Å
509	T	98.4	Very high	96.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	138.5	160.9	-71	0	0	0	0	108.6	D451 L452 I453 V500 F501 G503 R574	D451-T509 PolarHBondContact O-N 3.37Å; L452-T509 CarbonylContact C-O 3.54Å; L452-T509 WeakPolarHBondContact CA-O 3.19Å; L452-T509 HydrophobicContact CD1-CG2 3.82Å; I453-T509 PolarHBondContact N-O 3.49Å; V500-T509 HydrophobicContact CG1-CG2 3.82Å; F501-T509 WeakPolarHBondContact O-CA 3.28Å; G503-T509 PolarHBondContact N-OG1 3.29Å; G503-T509 VanDerWaalsContact N-OG1 3.12Å; T509-R574 VanDerWaalsContact OG1-CZ 3.3Å; T509-R574 PolarHBondContact OG1-NH1 3.27Å; T509-R574 PolarHBondContact OG1-NH2 3.41Å
510	I	98.8	Very high	96.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.6	177.6	-57.7	171.4	0	0	0	109.2	Y440 I453 A455 L467 F481 P482 V500 F501	Y440-I510 HydrophobicContact CE1-CD1 3.86Å; Y440-I510 HydrophobicContact CE1-CG1 4.38Å; Y440-I510 HydrophobicContact CE1-CG2 4.24Å; I453-I510 HydrophobicContact CB-CG1 4.3Å; I453-I510 HydrophobicContact CD1-CG1 4.47Å; I453-I510 CarbonylContact O-C 3.54Å; I453-I510 WeakPolarHBondContact O-CA 2.95Å; A455-I510 HydrophobicContact CB-CG2 4.22Å; L467-I510 HydrophobicContact CD1-CD1 4.1Å; L467-I510 HydrophobicContact CD1-CG2 4.43Å; F481-I510 HydrophobicContact CE1-CD1 4.19Å; F481-I510 HydrophobicContact CE2-CD1 3.81Å; F481-I510 HydrophobicContact CZ-CD1 3.56Å; P482-I510 HydrophobicContact CG-CD1 3.55Å; P482-I510 HydrophobicContact CG-CG1 3.93Å; V500-I510 WeakPolarHBondContact CA-O 3.49Å; F501-I510 HydrophobicContact CB-CB 4.31Å; F501-I510 HydrophobicContact CD2-CB 4.32Å; F501-I510 HydrophobicContact CD2-CG2 4.39Å; F501-I510 PolarHBondContact N-O 3.45Å; F501-I510 PolarHBondContact O-N 3.43Å
511	I	98.8	Very high	96.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.8	165	-53.2	178.7	0	0	0	107.3	L452 I453 I454 A455 C498 Y499 M513 V564 E567	L452-I511 HydrophobicContact CD1-CD1 3.99Å; L452-I511 HydrophobicContact CD1-CG1 3.87Å; L452-I511 HydrophobicContact CD2-CD1 4.35Å; I453-I511 PolarHBondContact O-N 2.74Å; I454-I511 HydrophobicContact CG1-CD1 4.43Å; A455-I511 WeakPolarHBondContact CB-O 3.4Å; A455-I511 PolarHBondContact N-O 2.86Å; C498-I511 WeakPolarHBondContact SG-CG2 3.38Å; Y499-I511 CarbonylContact O-C 3.55Å; Y499-I511 WeakPolarHBondContact O-CA 3.48Å; I511-M513 HydrophobicContact CG2-CE 3.49Å; I511-M513 VanDerWaalsContact CG2-CE 3.49Å; I511-M513 HydrophobicContact CG2-CG 4.2Å; I511-V564 HydrophobicContact CD1-CB 4.28Å; I511-V564 HydrophobicContact CD1-CG1 4.47Å; I511-V564 HydrophobicContact CD1-CG2 3.88Å; I511-V564 HydrophobicContact CG2-CG2 4.46Å; I511-E567 HydrophobicContact CD1-CB 3.82Å; I511-E567 HydrophobicContact CD1-CG 4.01Å; I511-E567 HydrophobicContact CG1-CB 4.3Å; I511-E567 HydrophobicContact CG1-CG 4.18Å
512	Y	98.5	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.2	-175.2	-174.3	-98.4	0	0	0	110.2	M438 A455 E457 M463 F464 L467 C498 Y499 F501 P514	M438-Y512 HydrophobicContact CE-CD2 4.02Å; M438-Y512 HydrophobicContact CE-CE2 3.46Å; M438-Y512 VanDerWaalsContact CE-CE2 3.46Å; A455-Y512 HydrophobicContact CB-CD2 4.19Å; E457-Y512 HydrophobicContact CB-CD2 4.47Å; E457-Y512 HydrophobicContact CB-CE1 4.28Å; E457-Y512 HydrophobicContact CB-CE2 3.92Å; E457-Y512 HydrophobicContact CG-CE1 4.16Å; E457-Y512 HydrophobicContact CG-CE2 3.98Å; E457-Y512 VanDerWaalsContact CG-OH 3.26Å; E457-Y512 WeakPolarHBondContact CG-OH 3.41Å; E457-Y512 WeakPolarHBondContact OE2-CE2 3.48Å; E457-Y512 PolarHBondContact OE2-OH 3.03Å; M463-Y512 HydrophobicContact CE-CE1 3.29Å; M463-Y512 VanDerWaalsContact CE-CZ 3.43Å; M463-Y512 WeakPolarHBondContact CE-OH 3.46Å; F464-Y512 HydrophobicContact CD1-CD1 4.1Å; F464-Y512 AromaticContact CD1-CE1 3.5Å; F464-Y512 HydrophobicContact CD1-CE1 3.5Å; F464-Y512 VanDerWaalsContact CD1-CE1 3.5Å; F464-Y512 AromaticContact CE1-CD1 3.9Å; F464-Y512 HydrophobicContact CE1-CD1 3.9Å; F464-Y512 AromaticContact CE1-CE1 3.59Å; F464-Y512 HydrophobicContact CE1-CE1 3.59Å; F464-Y512 PolarHBondContact N-OH 3.15Å; L467-Y512 HydrophobicContact CB-CE2 4.34Å; L467-Y512 HydrophobicContact CD1-CD2 4.43Å; C498-Y512 WeakPolarHBondContact CA-O 3.41Å; Y499-Y512 HydrophobicContact CD2-CD1 4.16Å; Y499-Y512 PolarHBondContact N-O 3.27Å; Y499-Y512 PolarHBondContact O-N 3.24Å; F501-Y512 HydrophobicContact CE2-CG 4.3Å; Y512-P514 HydrophobicContact CD1-CG 4.13Å; Y512-P514 HydrophobicContact CE1-CG 4.05Å
513	M	98.4	Very high	96.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	94	-169.3	-63.6	-174.3	179.5	0	0	111.7	F101 I454 A455 E457 I511 L515 M557 N560 V564	F101-M513 HydrophobicContact CD1-SD 4.46Å; F101-M513 HydrophobicContact CE1-CB 4.26Å; F101-M513 HydrophobicContact CE1-SD 3.75Å; F101-M513 HydrophobicContact CZ-CB 4.22Å; I454-M513 HydrophobicContact CG2-CE 4.41Å; A455-M513 PolarHBondContact O-N 3.43Å; E457-M513 PolarHBondContact N-O 3.41Å; I511-M513 HydrophobicContact CG2-CE 3.49Å; I511-M513 VanDerWaalsContact CG2-CE 3.49Å; I511-M513 HydrophobicContact CG2-CG 4.2Å; M513-L515 PolarHBondContact O-N 3.32Å; M513-M557 HydrophobicContact CE-CE 4.04Å; M513-M557 HydrophobicContact CE-SD 4.12Å; M513-M557 HydrophobicContact SD-SD 4.12Å; M513-N560 HydrophobicContact CE-CB 4.02Å; M513-V564 HydrophobicContact CE-CG2 3.33Å
514	P	98.2	Very high	96.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.013	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	132.2	174.1	-24.4	36.3	0	0	0	112.7	M463 P495 K496 Y499 Y512 N517 N556	M463-P514 HydrophobicContact CE-CB 4.23Å; M463-P514 HydrophobicContact CE-CG 4.03Å; M463-P514 HydrophobicContact SD-CB 3.72Å; M463-P514 HydrophobicContact SD-CG 3.83Å; P495-P514 HydrophobicContact CB-CB 4.35Å; P495-P514 HydrophobicContact CB-CG 4.05Å; P495-P514 HydrophobicContact CG-CB 3.91Å; P495-P514 HydrophobicContact CG-CG 4.17Å; K496-P514 WeakPolarHBondContact O-CG 3.36Å; Y499-P514 HydrophobicContact CD2-CG 4.36Å; Y499-P514 HydrophobicContact CE2-CG 4.01Å; Y512-P514 HydrophobicContact CD1-CG 4.13Å; Y512-P514 HydrophobicContact CE1-CG 4.05Å; P514-N517 HydrophobicContact CB-CB 4.46Å; P514-N517 PolarHBondContact O-ND2 3.42Å; P514-N556 PolarHBondContact O-ND2 2.98Å
515	L	98.4	Very high	97	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	21%	0.208	C	C	.	.	S	Bend	trans	-61.2	-51.1	178.2	178.3	62.7	0	0	0	112.4	R93 E457 M513 N520 L549 T552 A553 N556	R93-L515 HydrophobicContact CG-CD2 3.75Å; E457-L515 WeakPolarHBondContact O-CB 3.47Å; E457-L515 PolarHBondContact O-N 3.26Å; M513-L515 PolarHBondContact O-N 3.32Å; L515-N520 PolarHBondContact O-ND2 3.29Å; L515-L549 HydrophobicContact CD2-CD2 3.97Å; L515-T552 HydrophobicContact CD1-CG2 4.13Å; L515-A553 HydrophobicContact CD1-CB 4.32Å; L515-N556 PolarHBondContact O-ND2 3.03Å
516	F	98.1	Very high	97.6	Very high	7 Å²	7	36 Å²	36	3%	0.031	18%	0.176	C	C	.	.	S	Bend	trans	-103.5	125.5	175.1	-59.4	-52.5	0	0	0	109.7	P495 N520 V527 R530 M531 F534 F548 L549 T552	P495-F516 WeakPolarHBondContact CG-O 3.44Å; F516-N520 WeakPolarHBondContact CA-OD1 3.5Å; F516-V527 HydrophobicContact CB-CG1 4.36Å; F516-R530 HydrophobicContact CD1-CB 3.99Å; F516-R530 HydrophobicContact CD1-CG 4.26Å; F516-R530 HydrophobicContact CD2-CB 3.76Å; F516-R530 HydrophobicContact CE1-CB 4.06Å; F516-R530 HydrophobicContact CE1-CG 4.38Å; F516-R530 HydrophobicContact CE2-CB 3.81Å; F516-R530 HydrophobicContact CG-CB 3.85Å; F516-R530 HydrophobicContact CG-CG 4.5Å; F516-R530 HydrophobicContact CZ-CB 3.97Å; F516-M531 HydrophobicContact CD2-CG 4.23Å; F516-M531 HydrophobicContact CD2-SD 3.62Å; F516-M531 HydrophobicContact CE2-SD 4.05Å; F516-F534 HydrophobicContact CE1-CD2 4.43Å; F516-F534 HydrophobicContact CE2-CB 4.42Å; F516-F534 HydrophobicContact CE2-CD2 4.14Å; F516-F534 HydrophobicContact CZ-CB 4.39Å; F516-F534 AromaticContact CZ-CD2 3.53Å; F516-F534 HydrophobicContact CZ-CD2 3.53Å; F516-F534 HydrophobicContact CZ-CE2 4.12Å; F516-F534 HydrophobicContact CZ-CG 4.11Å; F516-F548 AromaticContact CE1-CE1 4Å; F516-F548 HydrophobicContact CE1-CE1 4Å; F516-L549 HydrophobicContact CE1-CD2 4.32Å; F516-L549 HydrophobicContact CZ-CD2 3.81Å; F516-T552 HydrophobicContact CD1-CG2 4.49Å; F516-T552 HydrophobicContact CE1-CG2 4.4Å
517	N	98	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.			trans	-157.1	178.1	-165.3	62.8	58.3	0	0	0	111.9	P495 D497 P514 Q519 N520 C521 N556	P495-N517 CarbonylContact O-C 3.58Å; P495-N517 VanDerWaalsContact O-CA 3.29Å; P495-N517 WeakPolarHBondContact O-CA 3.42Å; P495-N517 VanDerWaalsContact O-CB 3.31Å; P495-N517 WeakPolarHBondContact O-CB 3.25Å; D497-N517 HydrophobicContact CB-CB 4.21Å; P514-N517 HydrophobicContact CB-CB 4.46Å; P514-N517 PolarHBondContact O-ND2 3.42Å; N517-Q519 PolarHBondContact O-N 3.04Å; N517-Q519 VanDerWaalsContact O-N 3.08Å; N517-Q519 WeakPolarHBondContact OD1-CA 3.25Å; N517-Q519 VanDerWaalsContact OD1-CB 3.3Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.42Å; N517-Q519 PolarHBondContact OD1-N 3.3Å; N517-N520 PolarHBondContact N-OD1 3.47Å; N517-N520 PolarHBondContact ND2-ND2 3.33Å; N517-N520 PolarHBondContact O-N 3.07Å; N517-N520 VanDerWaalsContact O-N 3.09Å; N517-N520 PolarHBondContact O-OD1 2.92Å; N517-N520 PolarHBondContact OD1-N 3.29Å; N517-C521 WeakPolarHBondContact O-CB 3.43Å; N517-C521 PolarHBondContact O-N 2.95Å; N517-N556 PolarHBondContact ND2-ND2 3.32Å; N517-N556 PolarHBondContact ND2-OD1 3.24Å
518	Q	97.9	Very high	97.9	Very high	68 Å²	68	35 Å²	35	32%	0.318	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.9	-179.3	-73.7	171.5	21.4	0	0	115.4	W494 P495	W494-Q518 HydrophobicContact CD2-CG 3.64Å; W494-Q518 HydrophobicContact CE3-CG 4.14Å; W494-Q518 HydrophobicContact CG-CG 3.95Å; W494-Q518 HydrophobicContact CH2-CG 4.41Å; W494-Q518 HydrophobicContact CZ2-CB 4.34Å; W494-Q518 HydrophobicContact CZ2-CG 3.94Å; W494-Q518 HydrophobicContact CZ3-CG 4.5Å; W494-Q518 PolarHBondContact O-NE2 2.92Å; P495-Q518 WeakPolarHBondContact O-CG 3.23Å; P495-Q518 PolarHBondContact O-N 2.89Å
519	Q	97.8	Very high	97.8	Very high	119 Å²	119	39.5 Å²	39.5	56%	0.556	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-23.4	179.5	-55.8	-57.8	-34.1	0	0	112.9	D497 N517	D497-Q519 HydrophobicContact CB-CB 4.44Å; D497-Q519 HydrophobicContact CB-CG 3.7Å; D497-Q519 VanDerWaalsContact CG-CG 3.48Å; D497-Q519 WeakPolarHBondContact OD2-CG 3.24Å; N517-Q519 PolarHBondContact O-N 3.04Å; N517-Q519 VanDerWaalsContact O-N 3.08Å; N517-Q519 WeakPolarHBondContact OD1-CA 3.25Å; N517-Q519 VanDerWaalsContact OD1-CB 3.3Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.42Å; N517-Q519 PolarHBondContact OD1-N 3.3Å
520	N	97.9	Very high	97.7	Very high	45 Å²	45	41.9 Å²	41.9	24%	0.241	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-3.7	-175.6	65.1	36.5	0	0	0	114.3	L515 F516 N517 T552 N556	L515-N520 PolarHBondContact O-ND2 3.29Å; F516-N520 WeakPolarHBondContact CA-OD1 3.5Å; N517-N520 PolarHBondContact N-OD1 3.47Å; N517-N520 PolarHBondContact ND2-ND2 3.33Å; N517-N520 PolarHBondContact O-N 3.07Å; N517-N520 VanDerWaalsContact O-N 3.09Å; N517-N520 PolarHBondContact O-OD1 2.92Å; N517-N520 PolarHBondContact OD1-N 3.29Å; N520-T552 WeakPolarHBondContact ND2-CG2 3.47Å; N520-N556 PolarHBondContact ND2-OD1 2.97Å; N520-N556 VanDerWaalsContact ND2-OD1 3.08Å
521	C	98.1	Very high	97.5	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.027	21%	0.211	C	C	.	.			trans	-130.4	132.1	174.1	-63.4	0	0	0	0	110	W494 N517 D523 E526 V527	W494-C521 PolarHBondContact NE1-O 3.36Å; N517-C521 WeakPolarHBondContact O-CB 3.43Å; N517-C521 PolarHBondContact O-N 2.95Å; C521-D523 VanDerWaalsContact C-N 3.33Å; C521-D523 PolarHBondContact O-N 3.44Å; C521-E526 HydrophobicContact CB-CB 4.15Å; C521-E526 HydrophobicContact CB-CG 4.08Å; C521-V527 HydrophobicContact CB-CG2 3.58Å
522	K	97.5	Very high	97.3	Very high	135 Å²	135	49.3 Å²	49.3	59%	0.587	23%	0.232	S	C	*	.	S	Bend	trans	-68.3	-28.7	-175.2	77.5	-159.8	175.9	-163.4	0	114	W494 E526	W494-K522 WeakPolarHBondContact CZ2-O 3.44Å; K522-E526 WeakPolarHBondContact CB-OE2 3.23Å; K522-E526 HydrophobicContact CD-CB 4.49Å; K522-E526 VanDerWaalsContact CD-OE2 3.3Å; K522-E526 WeakPolarHBondContact CD-OE2 3.27Å; K522-E526 HydrophobicContact CG-CB 4.16Å; K522-E526 WeakPolarHBondContact CG-OE2 3.24Å; K522-E526 PolarHBondContact N-OE2 3.41Å
523	D	98.1	Very high	97.1	Very high	59 Å²	59	52.3 Å²	52.3	32%	0.316	25%	0.246	S	C	.	.	S	Bend	trans	-161.4	177	-176	56.8	34.7	0	0	0	111.1	W494 C521 E525 E526 V527	W494-D523 VanDerWaalsContact CD1-C 3.47Å; C521-D523 VanDerWaalsContact C-N 3.33Å; C521-D523 PolarHBondContact O-N 3.44Å; D523-E525 PolarHBondContact O-N 3.39Å; D523-E525 WeakPolarHBondContact OD1-CA 3.45Å; D523-E525 WeakPolarHBondContact OD1-CB 3.41Å; D523-E525 PolarHBondContact OD1-N 2.91Å; D523-E526 PolarHBondContact O-N 2.96Å; D523-E526 PolarHBondContact OD1-N 3.48Å; D523-V527 PolarHBondContact O-N 3.46Å
524	A	97.3	Very high	96.9	Very high	43 Å²	43	52.3 Å²	52.3	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-28.3	176.9	0	0	0	0	0	113.6	N493 W494 R528	N493-A524 HydrophobicContact CB-CB 4.01Å; N493-A524 WeakPolarHBondContact O-CA 3.2Å; N493-A524 WeakPolarHBondContact O-CB 3.47Å; W494-A524 HydrophobicContact CB-CB 4.05Å; A524-R528 PolarHBondContact O-N 2.86Å; A524-R528 VanDerWaalsContact O-N 3.16Å
525	E	97.6	Very high	96.6	Very high	71 Å²	71	53.5 Å²	53.5	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-71	-44.1	-180	-177.9	55	-149.4	0	0	110.4	D523 V527 R528 E529	D523-E525 PolarHBondContact O-N 3.39Å; D523-E525 WeakPolarHBondContact OD1-CA 3.45Å; D523-E525 WeakPolarHBondContact OD1-CB 3.41Å; D523-E525 PolarHBondContact OD1-N 2.91Å; E525-V527 VanDerWaalsContact C-N 3.33Å; E525-V527 PolarHBondContact O-N 3.27Å; E525-R528 WeakPolarHBondContact O-CB 3.49Å; E525-R528 PolarHBondContact O-N 3.28Å; E525-R528 VanDerWaalsContact O-N 3.14Å; E525-R528 IonicContact OE1-CZ 3.3Å; E525-R528 IonicContact OE1-NE 3.57Å; E525-R528 PolarHBondContact OE1-NE 3.34Å; E525-R528 IonicContact OE1-NH2 2.78Å; E525-R528 PolarHBondContact OE1-NH2 3.46Å; E525-R528 IonicContact OE2-CZ 3.27Å; E525-R528 IonicContact OE2-NE 3.95Å; E525-R528 PolarHBondContact OE2-NE 2.95Å; E525-R528 IonicContact OE2-NH2 3.18Å; E525-R528 PolarHBondContact OE2-NH2 2.94Å; E525-E529 WeakPolarHBondContact O-CG 3.37Å; E525-E529 PolarHBondContact O-N 3.41Å
526	E	97.8	Very high	96.1	Very high	34 Å²	34	54.2 Å²	54.2	16%	0.159	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-39.5	175.4	-174	168.9	-166.6	0	0	111.7	C521 K522 D523 R528 E529 R530	C521-E526 HydrophobicContact CB-CB 4.15Å; C521-E526 HydrophobicContact CB-CG 4.08Å; K522-E526 WeakPolarHBondContact CB-OE2 3.23Å; K522-E526 HydrophobicContact CD-CB 4.49Å; K522-E526 VanDerWaalsContact CD-OE2 3.3Å; K522-E526 WeakPolarHBondContact CD-OE2 3.27Å; K522-E526 HydrophobicContact CG-CB 4.16Å; K522-E526 WeakPolarHBondContact CG-OE2 3.24Å; K522-E526 PolarHBondContact N-OE2 3.41Å; D523-E526 PolarHBondContact O-N 2.96Å; D523-E526 PolarHBondContact OD1-N 3.48Å; E526-R528 VanDerWaalsContact C-N 3.3Å; E526-R528 PolarHBondContact O-N 3.07Å; E526-E529 PolarHBondContact O-N 3.32Å; E526-R530 HydrophobicContact CG-CG 4.29Å; E526-R530 WeakPolarHBondContact O-CB 3.29Å; E526-R530 VanDerWaalsContact O-CG 3.24Å; E526-R530 WeakPolarHBondContact O-CG 3.47Å; E526-R530 PolarHBondContact O-N 3.33Å; E526-R530 IonicContact OE1-NE 2.68Å; E526-R530 IonicContact OE1-NH2 3.71Å
527	V	97.4	Very high	95.6	Very high	16 Å²	16	55.9 Å²	55.9	10%	0.097	27%	0.268	C	S	.	.	H	α-helix	trans	-56.2	-47.4	173	174.4	0	0	0	0	110.6	F516 C521 D523 E525 E529 R530 M531	F516-V527 HydrophobicContact CB-CG1 4.36Å; C521-V527 HydrophobicContact CB-CG2 3.58Å; D523-V527 PolarHBondContact O-N 3.46Å; E525-V527 VanDerWaalsContact C-N 3.33Å; E525-V527 PolarHBondContact O-N 3.27Å; V527-E529 PolarHBondContact O-N 3.04Å; V527-R530 PolarHBondContact O-N 3.01Å; V527-M531 HydrophobicContact CG1-CG 4.43Å; V527-M531 WeakPolarHBondContact O-CB 3.44Å; V527-M531 VanDerWaalsContact O-CG 3.3Å; V527-M531 WeakPolarHBondContact O-CG 3.27Å; V527-M531 PolarHBondContact O-N 3.07Å
528	R	95.5	Very high	95	Very high	122 Å²	122	62.9 Å²	62.9	46%	0.46	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-40.3	179	-174.2	177.4	69.1	122.3	-4.3	112.5	A524 E525 E526 K532	A524-R528 PolarHBondContact O-N 2.86Å; A524-R528 VanDerWaalsContact O-N 3.16Å; E525-R528 WeakPolarHBondContact O-CB 3.49Å; E525-R528 PolarHBondContact O-N 3.28Å; E525-R528 VanDerWaalsContact O-N 3.14Å; E525-R528 IonicContact OE1-CZ 3.3Å; E525-R528 IonicContact OE1-NE 3.57Å; E525-R528 PolarHBondContact OE1-NE 3.34Å; E525-R528 IonicContact OE1-NH2 2.78Å; E525-R528 PolarHBondContact OE1-NH2 3.46Å; E525-R528 IonicContact OE2-CZ 3.27Å; E525-R528 IonicContact OE2-NE 3.95Å; E525-R528 PolarHBondContact OE2-NE 2.95Å; E525-R528 IonicContact OE2-NH2 3.18Å; E525-R528 PolarHBondContact OE2-NH2 2.94Å; E526-R528 VanDerWaalsContact C-N 3.3Å; E526-R528 PolarHBondContact O-N 3.07Å; R528-K532 WeakPolarHBondContact O-CG 3.04Å; R528-K532 PolarHBondContact O-N 3.12Å; R528-K532 VanDerWaalsContact O-N 3.11Å
529	E	96.1	Very high	94.4	Very high	98 Å²	98	60.4 Å²	60.4	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-44.7	175.2	-72.4	179.1	159.5	0	0	111.4	E525 E526 V527 K532 E533	E525-E529 WeakPolarHBondContact O-CG 3.37Å; E525-E529 PolarHBondContact O-N 3.41Å; E526-E529 PolarHBondContact O-N 3.32Å; V527-E529 PolarHBondContact O-N 3.04Å; E529-K532 WeakPolarHBondContact O-CB 3.34Å; E529-K532 PolarHBondContact O-N 2.78Å; E529-E533 WeakPolarHBondContact O-CB 3.43Å; E529-E533 PolarHBondContact O-N 2.84Å
530	R	96.3	Very high	94.1	Very high	51 Å²	51	57 Å²	57	19%	0.192	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-45.3	175.8	-67.7	-62	-178.2	177.9	7	112.1	F516 E526 V527 K532 E533 F534 F548	F516-R530 HydrophobicContact CD1-CB 3.99Å; F516-R530 HydrophobicContact CD1-CG 4.26Å; F516-R530 HydrophobicContact CD2-CB 3.76Å; F516-R530 HydrophobicContact CE1-CB 4.06Å; F516-R530 HydrophobicContact CE1-CG 4.38Å; F516-R530 HydrophobicContact CE2-CB 3.81Å; F516-R530 HydrophobicContact CG-CB 3.85Å; F516-R530 HydrophobicContact CG-CG 4.5Å; F516-R530 HydrophobicContact CZ-CB 3.97Å; E526-R530 HydrophobicContact CG-CG 4.29Å; E526-R530 WeakPolarHBondContact O-CB 3.29Å; E526-R530 VanDerWaalsContact O-CG 3.24Å; E526-R530 WeakPolarHBondContact O-CG 3.47Å; E526-R530 PolarHBondContact O-N 3.33Å; E526-R530 IonicContact OE1-NE 2.68Å; E526-R530 IonicContact OE1-NH2 3.71Å; V527-R530 PolarHBondContact O-N 3.01Å; R530-K532 VanDerWaalsContact C-N 3.25Å; R530-K532 PolarHBondContact O-N 3.35Å; R530-E533 IonicContact CZ-OE2 3.27Å; R530-E533 IonicContact NH1-OE2 3.92Å; R530-E533 PolarHBondContact NH1-OE2 3.12Å; R530-E533 PolarHBondContact O-N 3.36Å; R530-E533 VanDerWaalsContact O-N 3.12Å; R530-F534 WeakPolarHBondContact O-CD2 3.45Å; R530-F534 PolarHBondContact O-N 3.38Å; R530-F548 VanDerWaalsContact NH1-CZ 3.32Å
531	M	94.7	Very high	93.9	Very high	51 Å²	51	55.5 Å²	55.5	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-37.8	175.8	-73.1	-57	-70	0	0	112.3	S459 F516 V527 A535	S459-M531 WeakPolarHBondContact O-CE 3.34Å; F516-M531 HydrophobicContact CD2-CG 4.23Å; F516-M531 HydrophobicContact CD2-SD 3.62Å; F516-M531 HydrophobicContact CE2-SD 4.05Å; V527-M531 HydrophobicContact CG1-CG 4.43Å; V527-M531 WeakPolarHBondContact O-CB 3.44Å; V527-M531 VanDerWaalsContact O-CG 3.3Å; V527-M531 WeakPolarHBondContact O-CG 3.27Å; V527-M531 PolarHBondContact O-N 3.07Å; M531-A535 WeakPolarHBondContact O-CA 3.46Å; M531-A535 PolarHBondContact O-N 3.33Å; M531-A535 VanDerWaalsContact O-N 3.17Å
532	K	93.1	Very high	93.6	Very high	104 Å²	104	58 Å²	58	45%	0.452	28%	0.281	S	S	.	.	H	α-helix	trans	-72.3	-39.2	173.4	-71.2	171.7	-178.8	175	0	112.9	R528 E529 R530 F534 A535 R538	R528-K532 WeakPolarHBondContact O-CG 3.04Å; R528-K532 PolarHBondContact O-N 3.12Å; R528-K532 VanDerWaalsContact O-N 3.11Å; E529-K532 WeakPolarHBondContact O-CB 3.34Å; E529-K532 PolarHBondContact O-N 2.78Å; R530-K532 VanDerWaalsContact C-N 3.25Å; R530-K532 PolarHBondContact O-N 3.35Å; K532-F534 VanDerWaalsContact C-N 3.32Å; K532-A535 PolarHBondContact O-N 3.01Å; K532-R538 WeakPolarHBondContact O-CD 3.48Å; K532-R538 PolarHBondContact O-NH1 3.48Å
533	E	94.8	Very high	93.4	Very high	64 Å²	64	57.3 Å²	57.3	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-62.3	-41.8	179.8	-177	-177.6	-174.2	0	0	111.6	E529 R530 K545	E529-E533 WeakPolarHBondContact O-CB 3.43Å; E529-E533 PolarHBondContact O-N 2.84Å; R530-E533 IonicContact CZ-OE2 3.27Å; R530-E533 IonicContact NH1-OE2 3.92Å; R530-E533 PolarHBondContact NH1-OE2 3.12Å; R530-E533 PolarHBondContact O-N 3.36Å; R530-E533 VanDerWaalsContact O-N 3.12Å; E533-K545 PolarHBondContact O-NZ 3.16Å
534	F	95.4	Very high	93.3	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	25.3	-177.7	-63.6	-79	0	0	0	112.6	R93 F516 R530 K532 F541 K545 F548 L549	R93-F534 WeakPolarHBondContact CD-O 3.25Å; R93-F534 HydrophobicContact CG-CB 4.16Å; R93-F534 PolarHBondContact NH1-O 3.01Å; F516-F534 HydrophobicContact CE1-CD2 4.43Å; F516-F534 HydrophobicContact CE2-CB 4.42Å; F516-F534 HydrophobicContact CE2-CD2 4.14Å; F516-F534 HydrophobicContact CZ-CB 4.39Å; F516-F534 AromaticContact CZ-CD2 3.53Å; F516-F534 HydrophobicContact CZ-CD2 3.53Å; F516-F534 HydrophobicContact CZ-CE2 4.12Å; F516-F534 HydrophobicContact CZ-CG 4.11Å; R530-F534 WeakPolarHBondContact O-CD2 3.45Å; R530-F534 PolarHBondContact O-N 3.38Å; K532-F534 VanDerWaalsContact C-N 3.32Å; F534-F541 HydrophobicContact CB-CZ 4.04Å; F534-F541 HydrophobicContact CD1-CD2 4.33Å; F534-F541 HydrophobicContact CD1-CE1 4.36Å; F534-F541 AromaticContact CD1-CE2 3.91Å; F534-F541 HydrophobicContact CD1-CE2 3.91Å; F534-F541 AromaticContact CD1-CZ 3.93Å; F534-F541 HydrophobicContact CD1-CZ 3.93Å; F534-K545 HydrophobicContact CE1-CB 3.77Å; F534-K545 HydrophobicContact CE1-CD 4.15Å; F534-K545 HydrophobicContact CE1-CG 3.84Å; F534-K545 HydrophobicContact CZ-CG 4.27Å; F534-F548 HydrophobicContact CE1-CD1 4.13Å; F534-F548 AromaticContact CE2-CD1 3.62Å; F534-F548 HydrophobicContact CE2-CD1 3.62Å; F534-F548 AromaticContact CE2-CE1 3.59Å; F534-F548 HydrophobicContact CE2-CE1 3.59Å; F534-F548 HydrophobicContact CZ-CB 4.43Å; F534-F548 AromaticContact CZ-CD1 3.23Å; F534-F548 HydrophobicContact CZ-CD1 3.23Å; F534-F548 AromaticContact CZ-CE1 3.74Å; F534-F548 HydrophobicContact CZ-CE1 3.74Å; F534-F548 HydrophobicContact CZ-CG 4.08Å; F534-L549 HydrophobicContact CD1-CD1 3.5Å; F534-L549 VanDerWaalsContact CD1-CD1 3.5Å; F534-L549 HydrophobicContact CD1-CD2 3.85Å; F534-L549 HydrophobicContact CD1-CG 3.62Å; F534-L549 HydrophobicContact CD2-CD2 4.4Å; F534-L549 HydrophobicContact CE1-CD1 3.86Å; F534-L549 HydrophobicContact CE1-CD2 4.06Å; F534-L549 HydrophobicContact CE1-CG 3.57Å; F534-L549 HydrophobicContact CG-CD1 4.32Å; F534-L549 HydrophobicContact CG-CD2 4.03Å; F534-L549 HydrophobicContact CG-CG 4.32Å; F534-L549 HydrophobicContact CZ-CD2 4.47Å; F534-L549 HydrophobicContact CZ-CG 4.28Å
535	A	91.8	Very high	93.3	Very high	26 Å²	26	62.6 Å²	62.6	22%	0.215	29%	0.294	C	S	.	.			trans	-55.3	149.9	-178.1	0	0	0	0	0	112.8	M531 K532 F537 R538	M531-A535 WeakPolarHBondContact O-CA 3.46Å; M531-A535 PolarHBondContact O-N 3.33Å; M531-A535 VanDerWaalsContact O-N 3.17Å; K532-A535 PolarHBondContact O-N 3.01Å; A535-F537 VanDerWaalsContact C-N 3.29Å; A535-F537 PolarHBondContact O-N 3.28Å; A535-R538 HydrophobicContact CB-CB 4.43Å; A535-R538 HydrophobicContact CB-CG 4.11Å; A535-R538 PolarHBondContact O-N 3.27Å
536	T	87.9	Confident	93.2	Very high	20 Å²	20	59.7 Å²	59.7	12%	0.123	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-32.5	-167.5	-69.3	0	0	0	0	114.4	G90 R93 L539	G90-T536 PolarHBondContact O-OG1 3.49Å; G90-T536 VanDerWaalsContact O-OG1 3.08Å; R93-T536 PolarHBondContact NH1-OG1 3.32Å; R93-T536 PolarHBondContact NH2-OG1 2.9Å; T536-L539 VanDerWaalsContact O-CD1 3.28Å; T536-L539 WeakPolarHBondContact O-CD1 3.05Å; T536-L539 VanDerWaalsContact O-CG 3.29Å; T536-L539 WeakPolarHBondContact O-CG 3.29Å
537	F	86.1	Confident	93.2	Very high	42 Å²	42	61.1 Å²	61.1	18%	0.184	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	15.7	178.2	-58.8	-71.6	0	0	0	113.6	A275 L276 V281 A535 L539	A275-F537 HydrophobicContact CB-CZ 4.18Å; L276-F537 HydrophobicContact CD2-CD1 3.74Å; L276-F537 HydrophobicContact CD2-CE1 3.43Å; L276-F537 VanDerWaalsContact CD2-CE1 3.43Å; L276-F537 HydrophobicContact CD2-CZ 4.05Å; L276-F537 HydrophobicContact CG-CD1 4.3Å; L276-F537 HydrophobicContact CG-CE1 3.7Å; L276-F537 HydrophobicContact CG-CZ 4.46Å; V281-F537 HydrophobicContact CB-CE2 4.33Å; V281-F537 HydrophobicContact CB-CZ 4.47Å; V281-F537 HydrophobicContact CG1-CD2 3.95Å; V281-F537 HydrophobicContact CG1-CE1 4.17Å; V281-F537 HydrophobicContact CG1-CE2 3.24Å; V281-F537 HydrophobicContact CG1-CZ 3.37Å; V281-F537 HydrophobicContact CG2-CE2 4.23Å; V281-F537 HydrophobicContact CG2-CZ 4.26Å; A535-F537 VanDerWaalsContact C-N 3.29Å; A535-F537 PolarHBondContact O-N 3.28Å; F537-L539 PolarHBondContact O-N 3.49Å
538	R	86.3	Confident	93.2	Very high	148 Å²	148	63.4 Å²	63.4	56%	0.558	30%	0.298	S	S	*	.	S	Bend	trans	-91.4	58.5	169	-76.5	-169.7	174.8	-171.4	-5.9	111	K532 A535 F541	K532-R538 WeakPolarHBondContact O-CD 3.48Å; K532-R538 PolarHBondContact O-NH1 3.48Å; A535-R538 HydrophobicContact CB-CB 4.43Å; A535-R538 HydrophobicContact CB-CG 4.11Å; A535-R538 PolarHBondContact O-N 3.27Å; R538-F541 WeakPolarHBondContact O-CD1 3.4Å; R538-F541 WeakPolarHBondContact O-CE1 3.33Å
539	L	85.6	Confident	93.4	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.079	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-102.5	161	-174.3	-55.2	166.2	0	0	0	110.2	Q92 W176 I184 T313 T536 F537	Q92-L539 HydrophobicContact CB-CD2 3.25Å; Q92-L539 HydrophobicContact CG-CD2 4.4Å; W176-L539 HydrophobicContact CH2-CD1 4.38Å; I184-L539 HydrophobicContact CD1-CB 4.36Å; I184-L539 HydrophobicContact CD1-CD1 3.93Å; I184-L539 HydrophobicContact CD1-CD2 4.11Å; I184-L539 HydrophobicContact CD1-CG 4.36Å; T313-L539 WeakPolarHBondContact CG2-O 3.49Å; T536-L539 VanDerWaalsContact O-CD1 3.28Å; T536-L539 WeakPolarHBondContact O-CD1 3.05Å; T536-L539 VanDerWaalsContact O-CG 3.29Å; T536-L539 WeakPolarHBondContact O-CG 3.29Å; F537-L539 PolarHBondContact O-N 3.49Å
540	P	90.5	Very high	93.5	Very high	49 Å²	49	53 Å²	53	32%	0.318	26%	0.255	S	S	.	.	S	Bend	cis	-72	159.5	-23.6	36.7	-39.6	0	0	0	110.9	Q92	Q92-P540 VanDerWaalsContact OE1-CA 3.28Å
541	F	93.6	Very high	93.6	Very high	13 Å²	13	55.1 Å²	55.1	6%	0.057	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-76.1	144.2	170.7	-65.6	-20.6	0	0	0	111.9	Q92 R93 F534 R538 K545 I546 L549	Q92-F541 HydrophobicContact CB-CD2 4.14Å; Q92-F541 HydrophobicContact CB-CE2 4.04Å; Q92-F541 HydrophobicContact CG-CD2 3.68Å; Q92-F541 HydrophobicContact CG-CE2 4.06Å; Q92-F541 HydrophobicContact CG-CG 4.26Å; R93-F541 HydrophobicContact CB-CE2 4.08Å; R93-F541 HydrophobicContact CB-CZ 4.19Å; F534-F541 HydrophobicContact CB-CZ 4.04Å; F534-F541 HydrophobicContact CD1-CD2 4.33Å; F534-F541 HydrophobicContact CD1-CE1 4.36Å; F534-F541 AromaticContact CD1-CE2 3.91Å; F534-F541 HydrophobicContact CD1-CE2 3.91Å; F534-F541 AromaticContact CD1-CZ 3.93Å; F534-F541 HydrophobicContact CD1-CZ 3.93Å; R538-F541 WeakPolarHBondContact O-CD1 3.4Å; R538-F541 WeakPolarHBondContact O-CE1 3.33Å; F541-K545 HydrophobicContact CB-CB 3.78Å; F541-K545 HydrophobicContact CB-CD 4.41Å; F541-K545 HydrophobicContact CD1-CD 4.11Å; F541-K545 HydrophobicContact CG-CB 4.18Å; F541-K545 HydrophobicContact CG-CD 4.38Å; F541-I546 HydrophobicContact CB-CG1 3.95Å; F541-L549 HydrophobicContact CD2-CD1 3.71Å; F541-L549 HydrophobicContact CE2-CD1 3.41Å; F541-L549 VanDerWaalsContact CE2-CD1 3.41Å; F541-L549 HydrophobicContact CZ-CD1 4.45Å
542	S	92.7	Very high	93.7	Very high	57 Å²	57	53.4 Å²	53.4	40%	0.399	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-64.8	162.1	167.3	62.1	0	0	0	0	111	E544 K545 I546	S542-E544 PolarHBondContact O-N 3.18Å; S542-K545 WeakPolarHBondContact O-CB 3.44Å; S542-K545 PolarHBondContact O-N 3.44Å; S542-K545 PolarHBondContact OG-N 3.22Å; S542-I546 WeakPolarHBondContact O-CG1 3.39Å; S542-I546 PolarHBondContact O-N 3.26Å
543	E	93.3	Very high	94	Very high	120 Å²	120	48.4 Å²	48.4	56%	0.561	24%	0.238	S	C	*	.	H	α-helix	trans	-56.2	-39.8	175.6	-170.9	179.5	176.1	0	0	112.1	K545 I546 N547	E543-K545 VanDerWaalsContact C-N 3.34Å; E543-K545 PolarHBondContact O-N 2.83Å; E543-I546 PolarHBondContact O-N 2.85Å; E543-N547 WeakPolarHBondContact O-CB 3.15Å; E543-N547 VanDerWaalsContact O-CG 3.29Å; E543-N547 PolarHBondContact O-N 2.7Å; E543-N547 PolarHBondContact O-ND2 3.05Å
544	E	95.9	Very high	94.2	Very high	161 Å²	161	46.3 Å²	46.3	75%	0.752	23%	0.227	S	C	*	.	H	α-helix	trans	-58.6	-44.2	175.2	-63.9	175.4	170.1	0	0	112.2	S542 N547 F548	S542-E544 PolarHBondContact O-N 3.18Å; E544-N547 PolarHBondContact O-N 2.85Å; E544-F548 WeakPolarHBondContact O-CB 3.49Å; E544-F548 PolarHBondContact O-N 3.2Å
545	K	96.3	Very high	94.4	Very high	52 Å²	52	49.3 Å²	49.3	23%	0.226	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-39.5	177.6	-81.3	-170.2	175.2	-167.1	0	112.2	E533 F534 F541 S542 E543 F548 L549	E533-K545 PolarHBondContact O-NZ 3.16Å; F534-K545 HydrophobicContact CE1-CB 3.77Å; F534-K545 HydrophobicContact CE1-CD 4.15Å; F534-K545 HydrophobicContact CE1-CG 3.84Å; F534-K545 HydrophobicContact CZ-CG 4.27Å; F541-K545 HydrophobicContact CB-CB 3.78Å; F541-K545 HydrophobicContact CB-CD 4.41Å; F541-K545 HydrophobicContact CD1-CD 4.11Å; F541-K545 HydrophobicContact CG-CB 4.18Å; F541-K545 HydrophobicContact CG-CD 4.38Å; S542-K545 WeakPolarHBondContact O-CB 3.44Å; S542-K545 PolarHBondContact O-N 3.44Å; S542-K545 PolarHBondContact OG-N 3.22Å; E543-K545 VanDerWaalsContact C-N 3.34Å; E543-K545 PolarHBondContact O-N 2.83Å; K545-F548 PolarHBondContact O-N 3.24Å; K545-L549 PolarHBondContact O-N 2.72Å; K545-L549 VanDerWaalsContact O-N 3.07Å
546	I	96.6	Very high	94.7	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.046	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-50.9	174.8	-67.8	169.3	0	0	0	109.6	V96 F541 S542 E543 F548 L549 L550	V96-I546 HydrophobicContact CG1-CG2 4.03Å; V96-I546 WeakPolarHBondContact CG1-O 3.27Å; V96-I546 HydrophobicContact CG2-CG1 4.39Å; V96-I546 HydrophobicContact CG2-CG2 4.34Å; F541-I546 HydrophobicContact CB-CG1 3.95Å; S542-I546 WeakPolarHBondContact O-CG1 3.39Å; S542-I546 PolarHBondContact O-N 3.26Å; E543-I546 PolarHBondContact O-N 2.85Å; I546-F548 VanDerWaalsContact C-N 3.34Å; I546-F548 PolarHBondContact O-N 3.18Å; I546-L549 PolarHBondContact O-N 3.02Å; I546-L550 HydrophobicContact CG2-CD1 3.86Å; I546-L550 HydrophobicContact CG2-CG 4.37Å; I546-L550 WeakPolarHBondContact O-CG 3.28Å; I546-L550 PolarHBondContact O-N 2.92Å
547	N	97.6	Very high	95.2	Very high	64 Å²	64	47.2 Å²	47.2	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-60.7	-42.6	179.2	-72.4	-24.3	0	0	0	111.8	E543 E544 L549 L550 E551	E543-N547 WeakPolarHBondContact O-CB 3.15Å; E543-N547 VanDerWaalsContact O-CG 3.29Å; E543-N547 PolarHBondContact O-N 2.7Å; E543-N547 PolarHBondContact O-ND2 3.05Å; E544-N547 PolarHBondContact O-N 2.85Å; N547-L549 PolarHBondContact O-N 3.32Å; N547-L550 PolarHBondContact O-N 3.2Å; N547-E551 WeakPolarHBondContact O-CG 3.45Å; N547-E551 PolarHBondContact O-N 3.31Å
548	F	98.1	Very high	95.8	Very high	65 Å²	65	51 Å²	51	29%	0.285	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-47.7	175.9	177.2	-91.2	0	0	0	112.2	F516 R530 F534 E544 K545 I546 T552	F516-F548 AromaticContact CE1-CE1 4Å; F516-F548 HydrophobicContact CE1-CE1 4Å; R530-F548 VanDerWaalsContact NH1-CZ 3.32Å; F534-F548 HydrophobicContact CE1-CD1 4.13Å; F534-F548 AromaticContact CE2-CD1 3.62Å; F534-F548 HydrophobicContact CE2-CD1 3.62Å; F534-F548 AromaticContact CE2-CE1 3.59Å; F534-F548 HydrophobicContact CE2-CE1 3.59Å; F534-F548 HydrophobicContact CZ-CB 4.43Å; F534-F548 AromaticContact CZ-CD1 3.23Å; F534-F548 HydrophobicContact CZ-CD1 3.23Å; F534-F548 AromaticContact CZ-CE1 3.74Å; F534-F548 HydrophobicContact CZ-CE1 3.74Å; F534-F548 HydrophobicContact CZ-CG 4.08Å; E544-F548 WeakPolarHBondContact O-CB 3.49Å; E544-F548 PolarHBondContact O-N 3.2Å; K545-F548 PolarHBondContact O-N 3.24Å; I546-F548 VanDerWaalsContact C-N 3.34Å; I546-F548 PolarHBondContact O-N 3.18Å; F548-T552 VanDerWaalsContact O-CB 3.31Å; F548-T552 WeakPolarHBondContact O-CB 3.37Å; F548-T552 PolarHBondContact O-N 3.25Å; F548-T552 PolarHBondContact O-OG1 2.86Å
549	L	97.9	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-41.9	178.7	-77.5	177.3	0	0	0	112.6	R93 V96 L515 F516 F534 F541 K545 I546 N547 T552 A553	R93-L549 HydrophobicContact CB-CD1 4.41Å; R93-L549 HydrophobicContact CG-CD1 4.29Å; R93-L549 HydrophobicContact CG-CD2 4.23Å; V96-L549 HydrophobicContact CB-CB 4.33Å; V96-L549 HydrophobicContact CB-CD1 4.32Å; V96-L549 HydrophobicContact CG1-CB 3.7Å; V96-L549 HydrophobicContact CG1-CD1 4.45Å; L515-L549 HydrophobicContact CD2-CD2 3.97Å; F516-L549 HydrophobicContact CE1-CD2 4.32Å; F516-L549 HydrophobicContact CZ-CD2 3.81Å; F534-L549 HydrophobicContact CD1-CD1 3.5Å; F534-L549 VanDerWaalsContact CD1-CD1 3.5Å; F534-L549 HydrophobicContact CD1-CD2 3.85Å; F534-L549 HydrophobicContact CD1-CG 3.62Å; F534-L549 HydrophobicContact CD2-CD2 4.4Å; F534-L549 HydrophobicContact CE1-CD1 3.86Å; F534-L549 HydrophobicContact CE1-CD2 4.06Å; F534-L549 HydrophobicContact CE1-CG 3.57Å; F534-L549 HydrophobicContact CG-CD1 4.32Å; F534-L549 HydrophobicContact CG-CD2 4.03Å; F534-L549 HydrophobicContact CG-CG 4.32Å; F534-L549 HydrophobicContact CZ-CD2 4.47Å; F534-L549 HydrophobicContact CZ-CG 4.28Å; F541-L549 HydrophobicContact CD2-CD1 3.71Å; F541-L549 HydrophobicContact CE2-CD1 3.41Å; F541-L549 VanDerWaalsContact CE2-CD1 3.41Å; F541-L549 HydrophobicContact CZ-CD1 4.45Å; K545-L549 PolarHBondContact O-N 2.72Å; K545-L549 VanDerWaalsContact O-N 3.07Å; I546-L549 PolarHBondContact O-N 3.02Å; N547-L549 PolarHBondContact O-N 3.32Å; L549-T552 PolarHBondContact O-N 3.18Å; L549-A553 WeakPolarHBondContact O-CB 3.25Å; L549-A553 PolarHBondContact O-N 3.4Å
550	L	98.1	Very high	97	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-52.7	176	-76.8	171.5	0	0	0	110.7	V96 I99 V144 L147 I546 N547 T552 A553 K554	V96-L550 HydrophobicContact CG1-CD2 3.82Å; V96-L550 HydrophobicContact CG1-CG 3.58Å; V96-L550 WeakPolarHBondContact O-CD2 3.07Å; I99-L550 HydrophobicContact CB-CD2 4.28Å; I99-L550 HydrophobicContact CG2-CD2 4.11Å; V144-L550 HydrophobicContact CG1-CD1 4.2Å; L147-L550 HydrophobicContact CD1-CD1 4.17Å; L147-L550 HydrophobicContact CD1-CD2 3.99Å; I546-L550 HydrophobicContact CG2-CD1 3.86Å; I546-L550 HydrophobicContact CG2-CG 4.37Å; I546-L550 WeakPolarHBondContact O-CG 3.28Å; I546-L550 PolarHBondContact O-N 2.92Å; N547-L550 PolarHBondContact O-N 3.2Å; L550-T552 VanDerWaalsContact C-N 3.34Å; L550-T552 PolarHBondContact O-N 2.68Å; L550-A553 PolarHBondContact O-N 3.46Å; L550-K554 WeakPolarHBondContact O-CB 3.45Å; L550-K554 VanDerWaalsContact O-CG 3.24Å; L550-K554 WeakPolarHBondContact O-CG 3.45Å; L550-K554 PolarHBondContact O-N 3.11Å
551	E	98.5	Very high	97.3	Very high	96 Å²	96	47.7 Å²	47.7	45%	0.449	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-34.6	-178.2	-67.1	-51.6	125.2	0	0	112.6	N547 K554 T555	N547-E551 WeakPolarHBondContact O-CG 3.45Å; N547-E551 PolarHBondContact O-N 3.31Å; E551-K554 WeakPolarHBondContact OE1-CD 3.29Å; E551-K554 IonicContact OE1-NZ 3.11Å; E551-K554 PolarHBondContact OE1-NZ 3.34Å; E551-T555 VanDerWaalsContact O-CB 3.27Å; E551-T555 WeakPolarHBondContact O-CB 3.28Å; E551-T555 PolarHBondContact O-N 2.87Å; E551-T555 PolarHBondContact O-OG1 3.08Å
552	T	98.7	Very high	97.6	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-49.7	173.6	-59.9	0	0	0	0	110.8	L515 F516 N520 F548 L549 L550 T555 N556	L515-T552 HydrophobicContact CD1-CG2 4.13Å; F516-T552 HydrophobicContact CD1-CG2 4.49Å; F516-T552 HydrophobicContact CE1-CG2 4.4Å; N520-T552 WeakPolarHBondContact ND2-CG2 3.47Å; F548-T552 VanDerWaalsContact O-CB 3.31Å; F548-T552 WeakPolarHBondContact O-CB 3.37Å; F548-T552 PolarHBondContact O-N 3.25Å; F548-T552 PolarHBondContact O-OG1 2.86Å; L549-T552 PolarHBondContact O-N 3.18Å; L550-T552 VanDerWaalsContact C-N 3.34Å; L550-T552 PolarHBondContact O-N 2.68Å; T552-T555 PolarHBondContact O-N 2.96Å; T552-N556 VanDerWaalsContact O-CG 3.27Å; T552-N556 PolarHBondContact O-N 3.29Å; T552-N556 PolarHBondContact O-OD1 3.29Å
553	A	98.6	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-42.5	179.4	0	0	0	0	0	112.5	S97 F101 L515 L549 L550 T555 N556 M557	S97-A553 VanDerWaalsContact O-CB 3.22Å; S97-A553 WeakPolarHBondContact O-CB 3.31Å; F101-A553 HydrophobicContact CD2-CB 3.69Å; F101-A553 HydrophobicContact CE2-CB 3.92Å; F101-A553 HydrophobicContact CG-CB 4.34Å; L515-A553 HydrophobicContact CD1-CB 4.32Å; L549-A553 WeakPolarHBondContact O-CB 3.25Å; L549-A553 PolarHBondContact O-N 3.4Å; L550-A553 PolarHBondContact O-N 3.46Å; A553-T555 VanDerWaalsContact C-N 3.34Å; A553-T555 PolarHBondContact O-N 3.08Å; A553-N556 PolarHBondContact O-N 2.88Å; A553-M557 PolarHBondContact O-N 3.31Å; A553-M557 VanDerWaalsContact O-N 3.11Å
554	K	98.8	Very high	98.1	Very high	19 Å²	19	46.4 Å²	46.4	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-57.7	-48	174	-71.6	172.7	-169.5	176.2	0	111.1	G100 Y103 Q104 L550 E551 M557 K558	G100-K554 VanDerWaalsContact O-CG 3.32Å; G100-K554 WeakPolarHBondContact O-CG 3.18Å; Y103-K554 HydrophobicContact CD1-CD 3.66Å; Y103-K554 VanDerWaalsContact CD1-CE 3.45Å; Y103-K554 HydrophobicContact CD1-CG 3.85Å; Y103-K554 HydrophobicContact CE1-CD 4.03Å; Y103-K554 HydrophobicContact CG-CD 4.37Å; Y103-K554 HydrophobicContact CG-CG 4.46Å; Q104-K554 HydrophobicContact CB-CB 4.33Å; Q104-K554 HydrophobicContact CB-CG 4.49Å; Q104-K554 VanDerWaalsContact CG-O 3.3Å; Q104-K554 WeakPolarHBondContact CG-O 3.47Å; L550-K554 WeakPolarHBondContact O-CB 3.45Å; L550-K554 VanDerWaalsContact O-CG 3.24Å; L550-K554 WeakPolarHBondContact O-CG 3.45Å; L550-K554 PolarHBondContact O-N 3.11Å; E551-K554 WeakPolarHBondContact OE1-CD 3.29Å; E551-K554 IonicContact OE1-NZ 3.11Å; E551-K554 PolarHBondContact OE1-NZ 3.34Å; K554-M557 PolarHBondContact O-N 2.88Å; K554-K558 WeakPolarHBondContact O-CB 3.26Å; K554-K558 PolarHBondContact O-N 3.45Å
555	T	98.8	Very high	98.2	Very high	64 Å²	64	39.2 Å²	39.2	39%	0.393	19%	0.19	S	C	.	.	H	α-helix	trans	-64.1	-43.7	-179.4	-59.3	0	0	0	0	111.8	E551 T552 A553 M557 K558 N559	E551-T555 VanDerWaalsContact O-CB 3.27Å; E551-T555 WeakPolarHBondContact O-CB 3.28Å; E551-T555 PolarHBondContact O-N 2.87Å; E551-T555 PolarHBondContact O-OG1 3.08Å; T552-T555 PolarHBondContact O-N 2.96Å; A553-T555 VanDerWaalsContact C-N 3.34Å; A553-T555 PolarHBondContact O-N 3.08Å; T555-M557 PolarHBondContact O-N 3.2Å; T555-K558 PolarHBondContact O-N 3.04Å; T555-N559 WeakPolarHBondContact O-CB 3.48Å; T555-N559 PolarHBondContact O-N 3.28Å; T555-N559 PolarHBondContact O-OD1 2.92Å
556	N	98.6	Very high	98.4	Very high	2 Å²	2	42 Å²	42	1%	0.011	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-48.2	177.2	-74.1	-7.9	0	0	0	111.8	F101 P514 L515 N517 N520 T552 A553 N559 N560	F101-N556 HydrophobicContact CE1-CB 4.26Å; F101-N556 HydrophobicContact CZ-CB 4.02Å; P514-N556 PolarHBondContact O-ND2 2.98Å; L515-N556 PolarHBondContact O-ND2 3.03Å; N517-N556 PolarHBondContact ND2-ND2 3.32Å; N517-N556 PolarHBondContact ND2-OD1 3.24Å; N520-N556 PolarHBondContact ND2-OD1 2.97Å; N520-N556 VanDerWaalsContact ND2-OD1 3.08Å; T552-N556 VanDerWaalsContact O-CG 3.27Å; T552-N556 PolarHBondContact O-N 3.29Å; T552-N556 PolarHBondContact O-OD1 3.29Å; A553-N556 PolarHBondContact O-N 2.88Å; N556-N559 PolarHBondContact O-N 2.96Å; N556-N560 PolarHBondContact O-N 3.33Å; N556-N560 PolarHBondContact O-ND2 2.89Å
557	M	98.6	Very high	98.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-43.5	177.6	-173.2	55.7	-102.5	0	0	111.3	F101 Q104 L105 M110 M513 A553 K554 T555 N559 N560 K561 V564	F101-M557 HydrophobicContact CD1-CB 3.69Å; F101-M557 HydrophobicContact CD1-CG 4.19Å; F101-M557 HydrophobicContact CD1-SD 4.2Å; F101-M557 HydrophobicContact CE1-CB 4Å; Q104-M557 HydrophobicContact CB-CB 3.83Å; Q104-M557 HydrophobicContact CB-CG 3.93Å; Q104-M557 HydrophobicContact CG-CB 3.91Å; Q104-M557 HydrophobicContact CG-CG 4.03Å; L105-M557 HydrophobicContact CD2-CE 4.07Å; L105-M557 HydrophobicContact CD2-CG 4.05Å; L105-M557 HydrophobicContact CD2-SD 3.57Å; L105-M557 VanDerWaalsContact CD2-SD 3.57Å; L105-M557 HydrophobicContact CG-CG 4.04Å; L105-M557 HydrophobicContact CG-SD 3.97Å; M110-M557 HydrophobicContact CE-CE 3.59Å; M513-M557 HydrophobicContact CE-CE 4.04Å; M513-M557 HydrophobicContact CE-SD 4.12Å; M513-M557 HydrophobicContact SD-SD 4.12Å; A553-M557 PolarHBondContact O-N 3.31Å; A553-M557 VanDerWaalsContact O-N 3.11Å; K554-M557 PolarHBondContact O-N 2.88Å; T555-M557 PolarHBondContact O-N 3.2Å; M557-N559 PolarHBondContact O-N 3.17Å; M557-N560 CarbonylContact O-C 3.49Å; M557-N560 PolarHBondContact O-N 2.86Å; M557-N560 VanDerWaalsContact O-N 3.15Å; M557-K561 PolarHBondContact O-N 3.37Å; M557-K561 VanDerWaalsContact O-N 3.08Å; M557-V564 HydrophobicContact CE-CB 4.18Å; M557-V564 HydrophobicContact CE-CG2 3.55Å
558	K	98.6	Very high	98.5	Very high	122 Å²	122	38.6 Å²	38.6	53%	0.53	18%	0.181	S	C	.	.	H	α-helix	trans	-60	-46.4	179.2	-172.4	174	-177.8	176.7	0	112.1	Q104 K554 T555 N560 K561	Q104-K558 HydrophobicContact CG-CB 3.88Å; K554-K558 WeakPolarHBondContact O-CB 3.26Å; K554-K558 PolarHBondContact O-N 3.45Å; T555-K558 PolarHBondContact O-N 3.04Å; K558-N560 PolarHBondContact O-N 3.44Å; K558-K561 WeakPolarHBondContact O-CB 3.42Å; K558-K561 PolarHBondContact O-N 3.01Å
559	N	98.3	Very high	98.5	Very high	85 Å²	85	40.2 Å²	40.2	46%	0.455	19%	0.185	S	C	.	.	H	α-helix	trans	-60.3	-32.5	178.5	-70.7	-8.9	0	0	0	112	T555 N556 M557	T555-N559 WeakPolarHBondContact O-CB 3.48Å; T555-N559 PolarHBondContact O-N 3.28Å; T555-N559 PolarHBondContact O-OD1 2.92Å; N556-N559 PolarHBondContact O-N 2.96Å; M557-N559 PolarHBondContact O-N 3.17Å
560	N	98.4	Very high	98.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	7	-174.4	-69	-69.7	0	0	0	114.5	D497 C498 M513 N556 M557 K558 E562 I563 V564	D497-N560 PolarHBondContact OD2-ND2 3.49Å; D497-N560 PolarHBondContact OD2-OD1 3.1Å; C498-N560 HydrophobicContact CB-CB 4.23Å; C498-N560 VanDerWaalsContact CB-CG 3.47Å; C498-N560 WeakPolarHBondContact CB-OD1 3.38Å; M513-N560 HydrophobicContact CE-CB 4.02Å; N556-N560 PolarHBondContact O-N 3.33Å; N556-N560 PolarHBondContact O-ND2 2.89Å; M557-N560 CarbonylContact O-C 3.49Å; M557-N560 PolarHBondContact O-N 2.86Å; M557-N560 VanDerWaalsContact O-N 3.15Å; K558-N560 PolarHBondContact O-N 3.44Å; N560-E562 VanDerWaalsContact C-N 3.33Å; N560-E562 PolarHBondContact O-N 2.74Å; N560-I563 WeakPolarHBondContact O-CB 3.47Å; N560-I563 PolarHBondContact O-N 2.82Å; N560-I563 VanDerWaalsContact O-N 3.11Å; N560-V564 PolarHBondContact O-N 3.09Å; N560-V564 VanDerWaalsContact O-N 3.12Å
561	K	98.3	Very high	98.4	Very high	54 Å²	54	43.3 Å²	43.3	24%	0.235	20%	0.199	C	C	.	.	H	α-helix	trans	-49	-50.2	179.2	172.6	-174.7	-178.1	172.9	0	113.2	E108 M110 M557 K558 I563 V564 L565	E108-K561 HydrophobicContact CB-CD 4.33Å; E108-K561 HydrophobicContact CG-CD 4.11Å; E108-K561 VanDerWaalsContact OE2-CD 3.28Å; E108-K561 WeakPolarHBondContact OE2-CD 3.5Å; E108-K561 VanDerWaalsContact OE2-CE 3.29Å; E108-K561 WeakPolarHBondContact OE2-CE 3.25Å; E108-K561 IonicContact OE2-NZ 2.64Å; E108-K561 PolarHBondContact OE2-NZ 3.36Å; M110-K561 HydrophobicContact CE-CB 4.23Å; M110-K561 HydrophobicContact CE-CG 3.94Å; M110-K561 HydrophobicContact SD-CG 4.12Å; M557-K561 PolarHBondContact O-N 3.37Å; M557-K561 VanDerWaalsContact O-N 3.08Å; K558-K561 WeakPolarHBondContact O-CB 3.42Å; K558-K561 PolarHBondContact O-N 3.01Å; K561-I563 VanDerWaalsContact C-N 3.26Å; K561-I563 PolarHBondContact O-N 3.46Å; K561-V564 PolarHBondContact O-N 3.15Å; K561-V564 VanDerWaalsContact O-N 3.12Å; K561-L565 HydrophobicContact CD-CD1 4.42Å; K561-L565 HydrophobicContact CG-CD1 3.92Å; K561-L565 HydrophobicContact CG-CG 4.33Å; K561-L565 WeakPolarHBondContact O-CG 3.39Å; K561-L565 PolarHBondContact O-N 3.02Å
562	E	98.5	Very high	98.3	Very high	119 Å²	119	39.2 Å²	39.2	56%	0.556	18%	0.18	S	C	*	.	H	α-helix	trans	-66.1	-31.3	-175	-66.6	-55.8	142.5	0	0	112.4	N560 R566	N560-E562 VanDerWaalsContact C-N 3.33Å; N560-E562 PolarHBondContact O-N 2.74Å; E562-R566 VanDerWaalsContact O-CB 3.28Å; E562-R566 WeakPolarHBondContact O-CB 3.31Å; E562-R566 PolarHBondContact O-N 2.95Å
563	I	98.7	Very high	98.1	Very high	44 Å²	44	42.7 Å²	42.7	23%	0.226	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-47	173	-65.4	175.2	0	0	0	109.5	C498 V500 N560 K561 R566 E567	C498-I563 HydrophobicContact CB-CD1 4.21Å; V500-I563 HydrophobicContact CG2-CG2 3.55Å; N560-I563 WeakPolarHBondContact O-CB 3.47Å; N560-I563 PolarHBondContact O-N 2.82Å; N560-I563 VanDerWaalsContact O-N 3.11Å; K561-I563 VanDerWaalsContact C-N 3.26Å; K561-I563 PolarHBondContact O-N 3.46Å; I563-R566 WeakPolarHBondContact O-CB 3.13Å; I563-R566 PolarHBondContact O-N 2.87Å; I563-E567 WeakPolarHBondContact O-CG 3.27Å; I563-E567 PolarHBondContact O-N 2.9Å
564	V	98.7	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-49.3	178.3	175.9	0	0	0	0	111.5	M110 I454 I511 M513 M557 N560 K561 R566 E567 M568	M110-V564 HydrophobicContact CE-CG1 4.41Å; M110-V564 HydrophobicContact SD-CB 4.3Å; M110-V564 HydrophobicContact SD-CG1 3.95Å; I454-V564 HydrophobicContact CD1-CG1 3.85Å; I511-V564 HydrophobicContact CD1-CB 4.28Å; I511-V564 HydrophobicContact CD1-CG1 4.47Å; I511-V564 HydrophobicContact CD1-CG2 3.88Å; I511-V564 HydrophobicContact CG2-CG2 4.46Å; M513-V564 HydrophobicContact CE-CG2 3.33Å; M557-V564 HydrophobicContact CE-CB 4.18Å; M557-V564 HydrophobicContact CE-CG2 3.55Å; N560-V564 PolarHBondContact O-N 3.09Å; N560-V564 VanDerWaalsContact O-N 3.12Å; K561-V564 PolarHBondContact O-N 3.15Å; K561-V564 VanDerWaalsContact O-N 3.12Å; V564-R566 VanDerWaalsContact C-N 3.29Å; V564-R566 PolarHBondContact O-N 3.27Å; V564-E567 PolarHBondContact O-N 3.46Å; V564-M568 HydrophobicContact CG1-CE 3.47Å; V564-M568 VanDerWaalsContact CG1-CE 3.47Å; V564-M568 HydrophobicContact CG1-CG 4.45Å; V564-M568 HydrophobicContact CG1-SD 4.07Å; V564-M568 VanDerWaalsContact O-CG 3.31Å; V564-M568 WeakPolarHBondContact O-CG 3.34Å; V564-M568 PolarHBondContact O-N 2.73Å
565	L	98.7	Very high	97.4	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-39	176.4	-69.5	175.1	0	0	0	112.4	L71 I73 M110 K561 M568 R569	L71-L565 HydrophobicContact CB-CD2 4.37Å; L71-L565 HydrophobicContact CD1-CD2 4.05Å; L71-L565 HydrophobicContact CD2-CD2 4.23Å; L71-L565 HydrophobicContact CG-CD2 4.47Å; I73-L565 HydrophobicContact CD1-CD2 4.21Å; M110-L565 HydrophobicContact CG-CD2 4.12Å; M110-L565 HydrophobicContact SD-CD2 3.7Å; M110-L565 HydrophobicContact SD-CG 3.82Å; K561-L565 HydrophobicContact CD-CD1 4.42Å; K561-L565 HydrophobicContact CG-CD1 3.92Å; K561-L565 HydrophobicContact CG-CG 4.33Å; K561-L565 WeakPolarHBondContact O-CG 3.39Å; K561-L565 PolarHBondContact O-N 3.02Å; L565-M568 HydrophobicContact CD2-SD 4.35Å; L565-M568 PolarHBondContact O-N 3.02Å; L565-R569 WeakPolarHBondContact O-CG 3.47Å; L565-R569 PolarHBondContact O-N 3.46Å
566	R	98.6	Very high	96.9	Very high	112 Å²	112	46.9 Å²	46.9	42%	0.423	21%	0.211	S	C	.	.	H	α-helix	trans	-62.3	-45.9	176.3	-177.3	-173.5	71.3	-157.2	-2.3	111.7	E562 I563 V564 R569 K570	E562-R566 VanDerWaalsContact O-CB 3.28Å; E562-R566 WeakPolarHBondContact O-CB 3.31Å; E562-R566 PolarHBondContact O-N 2.95Å; I563-R566 WeakPolarHBondContact O-CB 3.13Å; I563-R566 PolarHBondContact O-N 2.87Å; V564-R566 VanDerWaalsContact C-N 3.29Å; V564-R566 PolarHBondContact O-N 3.27Å; R566-R569 PolarHBondContact O-N 2.96Å; R566-K570 PolarHBondContact O-N 3.18Å; R566-K570 VanDerWaalsContact O-N 3.1Å
567	E	98.6	Very high	96.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-73.6	-30	-179.1	-60.5	-48	128.9	0	0	112.4	L452 V500 I511 I563 V564 K570 A571	L452-E567 HydrophobicContact CD1-CB 3.99Å; L452-E567 HydrophobicContact CD2-CB 4.31Å; V500-E567 HydrophobicContact CG1-CG 3.91Å; V500-E567 HydrophobicContact CG2-CG 4.14Å; I511-E567 HydrophobicContact CD1-CB 3.82Å; I511-E567 HydrophobicContact CD1-CG 4.01Å; I511-E567 HydrophobicContact CG1-CB 4.3Å; I511-E567 HydrophobicContact CG1-CG 4.18Å; I563-E567 WeakPolarHBondContact O-CG 3.27Å; I563-E567 PolarHBondContact O-N 2.9Å; V564-E567 PolarHBondContact O-N 3.46Å; E567-K570 PolarHBondContact O-N 3.35Å; E567-K570 IonicContact OE1-NZ 2.91Å; E567-K570 PolarHBondContact OE1-NZ 3.35Å; E567-K570 WeakPolarHBondContact OE2-CD 3.32Å; E567-K570 IonicContact OE2-NZ 3.2Å; E567-K570 PolarHBondContact OE2-NZ 3.01Å; E567-A571 PolarHBondContact O-N 2.99Å
568	M	98.5	Very high	95.5	Very high	0 Å²	0	59 Å²	59	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-47.5	168.2	-71	173.9	172.7	0	0	111.7	I73 I83 M110 T113 L452 I454 V564 L565 K570 A571 V572	I73-M568 HydrophobicContact CD1-CB 3.68Å; I73-M568 HydrophobicContact CD1-SD 4.36Å; I83-M568 HydrophobicContact CD1-CE 4.21Å; I83-M568 HydrophobicContact CD1-CG 3.88Å; I83-M568 HydrophobicContact CD1-SD 4.49Å; M110-M568 HydrophobicContact CB-CE 4.46Å; T113-M568 HydrophobicContact CG2-CE 4.36Å; T113-M568 HydrophobicContact CG2-SD 4.34Å; T113-M568 WeakPolarHBondContact OG1-CE 3.38Å; L452-M568 HydrophobicContact CD2-CG 3.85Å; I454-M568 HydrophobicContact CD1-CE 4.2Å; V564-M568 HydrophobicContact CG1-CE 3.47Å; V564-M568 VanDerWaalsContact CG1-CE 3.47Å; V564-M568 HydrophobicContact CG1-CG 4.45Å; V564-M568 HydrophobicContact CG1-SD 4.07Å; V564-M568 VanDerWaalsContact O-CG 3.31Å; V564-M568 WeakPolarHBondContact O-CG 3.34Å; V564-M568 PolarHBondContact O-N 2.73Å; L565-M568 HydrophobicContact CD2-SD 4.35Å; L565-M568 PolarHBondContact O-N 3.02Å; M568-K570 VanDerWaalsContact C-N 3.29Å; M568-K570 PolarHBondContact O-N 3.06Å; M568-A571 WeakPolarHBondContact O-CB 3.46Å; M568-A571 PolarHBondContact O-N 3.38Å; M568-A571 VanDerWaalsContact O-N 3.08Å; M568-V572 PolarHBondContact O-N 3.25Å; M568-V572 VanDerWaalsContact O-N 3.13Å
569	R	98.1	Very high	94.5	Very high	100 Å²	100	58.4 Å²	58.4	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-58.2	-42	174.9	-70.3	174.5	-170.4	127.8	2.1	111.7	I73 L565 R566 A571 V572 L573	I73-R569 HydrophobicContact CB-CG 4.38Å; I73-R569 HydrophobicContact CD1-CG 4.05Å; I73-R569 HydrophobicContact CG1-CG 3.79Å; I73-R569 HydrophobicContact CG2-CG 3.97Å; L565-R569 WeakPolarHBondContact O-CG 3.47Å; L565-R569 PolarHBondContact O-N 3.46Å; R566-R569 PolarHBondContact O-N 2.96Å; R569-A571 VanDerWaalsContact C-N 3.34Å; R569-V572 PolarHBondContact O-N 3.42Å; R569-L573 WeakPolarHBondContact O-CG 3.39Å; R569-L573 PolarHBondContact O-N 3.03Å; R569-L573 VanDerWaalsContact O-N 3.1Å
570	K	97.2	Very high	93.3	Very high	66 Å²	66	59 Å²	59	29%	0.287	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-35.4	175.4	-74.1	170.8	170	-176.7	0	112.6	R566 E567 M568 L573 R574	R566-K570 PolarHBondContact O-N 3.18Å; R566-K570 VanDerWaalsContact O-N 3.1Å; E567-K570 PolarHBondContact O-N 3.35Å; E567-K570 IonicContact OE1-NZ 2.91Å; E567-K570 PolarHBondContact OE1-NZ 3.35Å; E567-K570 WeakPolarHBondContact OE2-CD 3.32Å; E567-K570 IonicContact OE2-NZ 3.2Å; E567-K570 PolarHBondContact OE2-NZ 3.01Å; M568-K570 VanDerWaalsContact C-N 3.29Å; M568-K570 PolarHBondContact O-N 3.06Å; K570-L573 PolarHBondContact O-N 3.08Å; K570-R574 WeakPolarHBondContact O-CG 3.46Å; K570-R574 PolarHBondContact O-N 3.48Å
571	A	96.8	Very high	91.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-45.2	175.4	0	0	0	0	0	111.7	P81 D451 L452 E567 M568 R569 L573 R574 R575	P81-A571 HydrophobicContact CB-CB 3.65Å; P81-A571 HydrophobicContact CG-CB 4.3Å; D451-A571 HydrophobicContact CB-CB 4.05Å; L452-A571 HydrophobicContact CB-CB 4.43Å; E567-A571 PolarHBondContact O-N 2.99Å; M568-A571 WeakPolarHBondContact O-CB 3.46Å; M568-A571 PolarHBondContact O-N 3.38Å; M568-A571 VanDerWaalsContact O-N 3.08Å; R569-A571 VanDerWaalsContact C-N 3.34Å; A571-L573 PolarHBondContact O-N 3.01Å; A571-R574 WeakPolarHBondContact O-CB 3.28Å; A571-R574 PolarHBondContact O-N 3.38Å; A571-R574 VanDerWaalsContact O-N 3.16Å; A571-R575 PolarHBondContact O-N 3.32Å
572	V	96.3	Very high	90.8	Very high	9 Å²	9	65.1 Å²	65.1	6%	0.055	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-47.3	172.9	177.8	0	0	0	0	111.4	I73 L79 P81 M568 R569 R574 R575 M576	I73-V572 HydrophobicContact CG2-CG2 3.77Å; L79-V572 HydrophobicContact CB-CG1 4.22Å; P81-V572 HydrophobicContact CG-CG2 3.84Å; M568-V572 PolarHBondContact O-N 3.25Å; M568-V572 VanDerWaalsContact O-N 3.13Å; R569-V572 PolarHBondContact O-N 3.42Å; V572-R574 VanDerWaalsContact C-N 3.26Å; V572-R574 PolarHBondContact O-N 3.39Å; V572-R575 WeakPolarHBondContact O-CB 3.3Å; V572-R575 PolarHBondContact O-N 3.38Å; V572-M576 PolarHBondContact O-N 3.46Å
573	L	93.9	Very high	90.4	Very high	88 Å²	88	62.3 Å²	62.3	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-32.5	178.1	-69.2	173.4	0	0	0	112.7	R569 K570 A571 R577	R569-L573 WeakPolarHBondContact O-CG 3.39Å; R569-L573 PolarHBondContact O-N 3.03Å; R569-L573 VanDerWaalsContact O-N 3.1Å; K570-L573 PolarHBondContact O-N 3.08Å; A571-L573 PolarHBondContact O-N 3.01Å; L573-R577 WeakPolarHBondContact O-CG 3.41Å; L573-R577 PolarHBondContact O-N 3.35Å; L573-R577 VanDerWaalsContact O-N 3.17Å
574	R	91	Very high	89.9	Confident	35 Å²	35	63.3 Å²	63.3	13%	0.132	33%	0.327	C	S	.	.	H	α-helix	trans	-69.3	-42.9	175.3	-77.1	-177.7	-65.4	166.2	4.5	111.7	D451 G503 T509 K570 A571 V572 M576 R577 K578	D451-R574 PolarHBondContact O-NH2 2.84Å; G503-R574 PolarHBondContact O-NH1 3.49Å; T509-R574 VanDerWaalsContact OG1-CZ 3.3Å; T509-R574 PolarHBondContact OG1-NH1 3.27Å; T509-R574 PolarHBondContact OG1-NH2 3.41Å; K570-R574 WeakPolarHBondContact O-CG 3.46Å; K570-R574 PolarHBondContact O-N 3.48Å; A571-R574 WeakPolarHBondContact O-CB 3.28Å; A571-R574 PolarHBondContact O-N 3.38Å; A571-R574 VanDerWaalsContact O-N 3.16Å; V572-R574 VanDerWaalsContact C-N 3.26Å; V572-R574 PolarHBondContact O-N 3.39Å; R574-M576 VanDerWaalsContact C-N 3.29Å; R574-M576 PolarHBondContact O-N 3.07Å; R574-R577 PolarHBondContact O-N 2.68Å; R574-R577 VanDerWaalsContact O-N 3.17Å; R574-K578 WeakPolarHBondContact O-CG 3.45Å; R574-K578 PolarHBondContact O-N 2.82Å
575	R	91.6	Very high	89.4	Confident	34 Å²	34	67 Å²	67	13%	0.128	35%	0.346	C	S	.	.	H	α-helix	trans	-56.1	-44.6	172	-74.8	-77.2	178.9	179.8	-6.2	111.7	L79 D449 D451 A571 V572 R577 K578 M579	L79-R575 HydrophobicContact CD2-CB 4.17Å; D449-R575 PolarHBondContact O-NH2 3.09Å; D449-R575 IonicContact OD1-NH2 3.17Å; D449-R575 IonicContact OD2-CZ 3.45Å; D449-R575 IonicContact OD2-NH1 3.51Å; D449-R575 PolarHBondContact OD2-NH1 3.28Å; D449-R575 IonicContact OD2-NH2 3.46Å; D449-R575 PolarHBondContact OD2-NH2 3.03Å; D451-R575 VanDerWaalsContact CG-NE 3.32Å; D451-R575 IonicContact OD1-CZ 2.68Å; D451-R575 IonicContact OD1-NE 2.78Å; D451-R575 PolarHBondContact OD1-NE 2.95Å; D451-R575 IonicContact OD1-NH2 3.47Å; D451-R575 IonicContact OD2-CZ 2.9Å; D451-R575 IonicContact OD2-NE 3.66Å; D451-R575 PolarHBondContact OD2-NE 3.3Å; D451-R575 IonicContact OD2-NH2 3.15Å; D451-R575 PolarHBondContact OD2-NH2 3.09Å; A571-R575 PolarHBondContact O-N 3.32Å; V572-R575 WeakPolarHBondContact O-CB 3.3Å; V572-R575 PolarHBondContact O-N 3.38Å; R575-R577 VanDerWaalsContact C-N 3.31Å; R575-R577 PolarHBondContact O-N 3.23Å; R575-K578 PolarHBondContact O-N 3.32Å; R575-K578 VanDerWaalsContact O-N 3.16Å; R575-M579 PolarHBondContact O-N 3.22Å; R575-M579 VanDerWaalsContact O-N 3.11Å
576	M	89.3	Confident	88.8	Confident	101 Å²	101	70.6 Å²	70.6	50%	0.498	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-41.5	177.2	-172	-174.8	179.1	0	0	112.6	L79 V572 R574 M579 S580	L79-M576 VanDerWaalsContact CD2-CA 3.4Å; L79-M576 HydrophobicContact CD2-CB 3.71Å; L79-M576 HydrophobicContact CD2-CG 4.32Å; V572-M576 PolarHBondContact O-N 3.46Å; R574-M576 VanDerWaalsContact C-N 3.29Å; R574-M576 PolarHBondContact O-N 3.07Å; M576-M579 PolarHBondContact O-N 2.8Å; M576-S580 PolarHBondContact O-N 2.76Å; M576-S580 PolarHBondContact O-OG 3.37Å
577	R	87.1	Confident	88.1	Confident	180 Å²	180	67.9 Å²	67.9	68%	0.679	36%	0.361	S	S	*	.	H	α-helix	trans	-67.8	-41.2	176.4	-69.1	172.5	-170.9	172.2	3.1	112	L573 R574 R575 M579 S580 G581	L573-R577 WeakPolarHBondContact O-CG 3.41Å; L573-R577 PolarHBondContact O-N 3.35Å; L573-R577 VanDerWaalsContact O-N 3.17Å; R574-R577 PolarHBondContact O-N 2.68Å; R574-R577 VanDerWaalsContact O-N 3.17Å; R575-R577 VanDerWaalsContact C-N 3.31Å; R575-R577 PolarHBondContact O-N 3.23Å; R577-M579 PolarHBondContact O-N 2.99Å; R577-S580 PolarHBondContact O-N 2.65Å; R577-G581 PolarHBondContact O-N 2.86Å
578	K	81.3	Confident	87.4	Confident	79 Å²	79	72.7 Å²	72.7	34%	0.343	39%	0.387	S	S	.	.	H	α-helix	trans	-60.3	-30.2	176.5	-73.4	178.2	177.9	175.7	0	112.6	D449 D451 E505 R574 R575	D449-K578 IonicContact OD1-NZ 3.14Å; D449-K578 PolarHBondContact OD1-NZ 3.17Å; D451-K578 IonicContact OD1-NZ 2.74Å; D451-K578 PolarHBondContact OD1-NZ 3.47Å; D451-K578 VanDerWaalsContact OD1-NZ 3.15Å; E505-K578 WeakPolarHBondContact O-CE 3.32Å; R574-K578 WeakPolarHBondContact O-CG 3.45Å; R574-K578 PolarHBondContact O-N 2.82Å; R575-K578 PolarHBondContact O-N 3.32Å; R575-K578 VanDerWaalsContact O-N 3.16Å
579	M	77	Confident	86.5	Confident	108 Å²	108	78.3 Å²	78.3	53%	0.532	42%	0.417	S	S	.	.	H	α-helix	trans	-84.5	-22.9	177.4	-67.8	179.7	73.4	0	0	114.2	D78 L79 R575 M576 R577	D78-M579 HydrophobicContact CB-CE 3.52Å; D78-M579 HydrophobicContact CB-SD 3.72Å; L79-M579 HydrophobicContact CD2-SD 3.78Å; R575-M579 PolarHBondContact O-N 3.22Å; R575-M579 VanDerWaalsContact O-N 3.11Å; M576-M579 PolarHBondContact O-N 2.8Å; R577-M579 PolarHBondContact O-N 2.99Å
580	S	71.9	Confident	85.6	Confident	98 Å²	98	76.5 Å²	76.5	69%	0.685	42%	0.42	S	S	*	.	H	α-helix	trans	-94.2	-12.5	-173.1	-56	0	0	0	0	113.6	M576 R577	M576-S580 PolarHBondContact O-N 2.76Å; M576-S580 PolarHBondContact O-OG 3.37Å; R577-S580 PolarHBondContact O-N 2.65Å
581	G	53.6	Low	84.5	Confident	120 Å²	120	77.5 Å²	77.5	100%	1.237	43%	0.432	S	S	*	.			trans	-116.2	0	174.7	0	0	0	0	0	110	R577	R577-G581 PolarHBondContact O-N 2.86Å

Retrieved 581 of 581 residues in 546.2 ms (Link to these results)

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