A0A5K4F059_SCHMA Loading...

Aminopeptidase P homologue (M24 family)

AlphaFold DB , UniProt , Accession A0A5K4F059, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 345 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	36	Very low	35.6	Very low	247 Å²	247	172.4 Å²	172.4	100%	1.217	88%	0.878	S	S	*	*				0	80.8	0	-86.5	-173.3	-92.5	0	0	109.3
2	I	31.8	Very low	35.3	Very low	177 Å²	177	177.7 Å²	177.7	91%	0.908	88%	0.879	S	S	*	*			trans	-103.9	109	-179.8	-64.8	169.7	0	0	0	106.8
3	S	33.7	Very low	34.9	Very low	116 Å²	116	172.5 Å²	172.5	81%	0.811	87%	0.872	S	S	*	*			trans	-174.3	107.8	167.8	157.1	0	0	0	0	109.7
4	A	37.3	Very low	34.7	Very low	81 Å²	81	167.9 Å²	167.9	67%	0.669	86%	0.863	S	S	*	*			trans	155.3	84.5	132.1	0	0	0	0	0	111.3
5	F	36.1	Very low	34.7	Very low	221 Å²	221	162.1 Å²	162.1	97%	0.969	85%	0.85	S	S	*	*			trans	-104.2	101.3	149.5	-98.2	-85.7	0	0	0	107.7
6	K	43.4	Very low	34.6	Very low	195 Å²	195	160.3 Å²	160.3	85%	0.848	84%	0.84	S	S	*	*			trans	-78.1	131.4	174.6	-85.9	178.6	174.3	176.6	0	109.8
7	K	34.2	Very low	34.5	Very low	211 Å²	211	156.8 Å²	156.8	92%	0.917	83%	0.833	S	S	*	*			trans	-26.9	130.1	164	-67.4	168.9	173.7	177.2	0	114.9
8	L	35.8	Very low	34.4	Very low	167 Å²	167	153.7 Å²	153.7	87%	0.874	83%	0.826	S	S	*	*			trans	-113.3	146.2	155.2	-82.6	163.9	0	0	0	109.4
9	P	36.1	Very low	34.3	Very low	109 Å²	109	150.8 Å²	150.8	71%	0.708	81%	0.814	S	S	*	*			trans	-85.9	146.6	-167.1	28.4	-21.6	0	0	0	113.2	I11	P9-I11 PolarHBondContact O-N 3.26Å
10	K	32.1	Very low	34.1	Very low	213 Å²	213	153.5 Å²	153.5	93%	0.926	81%	0.812	S	S	*	*			trans	-64	110.2	172.7	-75.9	176.1	173	178.6	0	110.5
11	I	35	Very low	34	Very low	159 Å²	159	157.1 Å²	157.1	82%	0.815	81%	0.814	S	S	*	*			trans	-94.9	127.7	165.3	-62.3	176.8	0	0	0	108.5	P9	P9-I11 PolarHBondContact O-N 3.26Å
12	R	32.5	Very low	33.9	Very low	236 Å²	236	149.2 Å²	149.2	89%	0.891	78%	0.783	S	S	*	*			trans	-61.5	129.1	-173.9	-72.6	174.4	168.1	176.9	-4.6	112.1
13	S	30.3	Very low	33.8	Very low	111 Å²	111	144.2 Å²	144.2	78%	0.776	76%	0.763	S	S	*	*			trans	-88.9	102.1	168.8	66.3	0	0	0	0	110.7
14	S	31.6	Very low	33.9	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	76%	0.755	S	S	*	*			trans	-148.9	18	165.7	64.7	0	0	0	0	115.1
15	A	35.2	Very low	33.9	Very low	81 Å²	81	142.5 Å²	142.5	67%	0.669	74%	0.742	S	S	*	*	S	Bend	trans	-129.7	10.1	177.5	0	0	0	0	0	114.6
16	L	31.9	Very low	33.8	Very low	133 Å²	133	136.6 Å²	136.6	70%	0.696	72%	0.72	S	S	*	*	S	Bend	trans	-105.4	4.1	-176.1	-84.5	157	0	0	0	114.4
17	S	33.5	Very low	33.2	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	70%	0.704	S	S	*	*	S	Bend	trans	-94.9	-13.7	-177.4	57.1	0	0	0	0	114.9
18	S	33.4	Very low	33.3	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	69%	0.692	S	S	*	*	S	Bend	trans	-95.1	-14.4	-179.1	56.5	0	0	0	0	114.9
19	V	32.7	Very low	33.2	Very low	98 Å²	98	123.9 Å²	123.9	59%	0.594	67%	0.666	S	S	*	*	S	Bend	trans	-96.6	-8.9	-178.8	-177.1	0	0	0	0	112.9
20	R	29	Very low	33	Very low	205 Å²	205	125.4 Å²	125.4	77%	0.774	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-6.2	-177.8	-83.7	-175.4	173.6	-173.3	-1.3	115.6
21	R	31.9	Very low	33.1	Very low	230 Å²	230	119.1 Å²	119.1	87%	0.868	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-8.7	-178.4	-77	-173.8	178	-179.9	-0.1	115
22	S	34.4	Very low	33.5	Very low	81 Å²	81	116.8 Å²	116.8	57%	0.566	65%	0.645	S	S	*	*	S	Bend	trans	-101.6	1	176.9	64.5	0	0	0	0	114.5
23	C	30	Very low	34.3	Very low	72 Å²	72	107.9 Å²	107.9	49%	0.486	62%	0.619	S	S	.	*			trans	-96.1	2.4	-174.5	-77.2	0	0	0	0	115.3
24	T	36.2	Very low	36.5	Very low	105 Å²	105	106.7 Å²	106.7	64%	0.644	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-19.6	-178.2	45.4	0	0	0	0	114.1	S27	T24-S27 PolarHBondContact O-OG 3.09Å; T24-S27 VanDerWaalsContact O-OG 3.1Å
25	S	37.2	Very low	39.4	Very low	56 Å²	56	101.8 Å²	101.8	39%	0.392	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	-34.8	171.5	61.9	0	0	0	0	112.2	S27 Y28	S25-S27 VanDerWaalsContact C-N 3.3Å; S25-S27 PolarHBondContact O-N 2.79Å; S25-Y28 PolarHBondContact O-N 2.83Å
26	L	33.1	Very low	42.3	Very low	97 Å²	97	100.5 Å²	100.5	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-68.3	-22.5	179.1	-84.2	154.4	0	0	0	114.3	Y28 L29	L26-Y28 VanDerWaalsContact C-N 3.3Å; L26-Y28 PolarHBondContact O-N 3.34Å; L26-L29 HydrophobicContact CD2-CD1 4.11Å; L26-L29 PolarHBondContact O-N 3.45Å
27	S	32.3	Very low	45.3	Very low	73 Å²	73	98.3 Å²	98.3	51%	0.51	55%	0.55	S	S	.	.	H	α-helix	trans	-70.6	-24	176	51.3	0	0	0	0	113.6	T24 S25	T24-S27 PolarHBondContact O-OG 3.09Å; T24-S27 VanDerWaalsContact O-OG 3.1Å; S25-S27 VanDerWaalsContact C-N 3.3Å; S25-S27 PolarHBondContact O-N 2.79Å
28	Y	34.7	Very low	48.3	Very low	170 Å²	170	98.8 Å²	98.8	67%	0.667	54%	0.543	S	S	*	.	H	α-helix	trans	-77.2	-29.1	173.8	-83	-84.3	0	0	0	112.4	S25 L26 N30	S25-Y28 PolarHBondContact O-N 2.83Å; L26-Y28 VanDerWaalsContact C-N 3.3Å; L26-Y28 PolarHBondContact O-N 3.34Å; Y28-N30 VanDerWaalsContact C-N 3.35Å; Y28-N30 PolarHBondContact O-N 3.38Å
29	L	35.1	Very low	51.3	Low	62 Å²	62	95 Å²	95	33%	0.325	51%	0.514	S	S	.	.	H	α-helix	trans	-71.5	-27.2	178.4	-74.1	163	0	0	0	113	L26 L143	L26-L29 HydrophobicContact CD2-CD1 4.11Å; L26-L29 PolarHBondContact O-N 3.45Å; L29-L143 HydrophobicContact CD2-CD2 4.27Å
30	N	30.5	Very low	54.4	Low	141 Å²	141	90.4 Å²	90.4	75%	0.754	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.8	-176.9	-83.8	-24.5	0	0	0	115.1	Y28	Y28-N30 VanDerWaalsContact C-N 3.35Å; Y28-N30 PolarHBondContact O-N 3.38Å
31	A	35.1	Very low	57.6	Low	82 Å²	82	83.1 Å²	83.1	68%	0.678	47%	0.467	S	S	*	.	S	Bend	trans	-88.4	-16.6	-178.1	0	0	0	0	0	113.7
32	N	42.6	Very low	60.8	Low	110 Å²	110	75.2 Å²	75.2	59%	0.588	44%	0.442	S	S	*	.	S	Bend	trans	-114.8	111.1	173.6	-74.2	-32.9	0	0	0	107.8	S34	N32-S34 PolarHBondContact O-N 3.26Å
33	S	50.6	Low	63.8	Low	48 Å²	48	71.6 Å²	71.6	34%	0.336	42%	0.416	S	S	.	.			trans	-40.5	97.7	174.9	140.6	0	0	0	0	111.2	V35 Y233 Q237 N319	S33-V35 PolarHBondContact O-N 3.42Å; S33-Y233 PolarHBondContact OG-OH 3.4Å; S33-Q237 PolarHBondContact OG-NE2 3.11Å; S33-N319 WeakPolarHBondContact CB-ND2 3.5Å; S33-N319 PolarHBondContact OG-ND2 3.46Å
34	S	76.2	Confident	67	Low	86 Å²	86	69 Å²	69	60%	0.601	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-70.2	116.8	176.9	57.7	0	0	0	0	107.4	N32	N32-S34 PolarHBondContact O-N 3.26Å
35	V	92.9	Very high	70	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.024	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-49.3	130.7	170.9	-177.2	0	0	0	0	107.9	S33 L37 E39 L40 Y233	S33-V35 PolarHBondContact O-N 3.42Å; V35-L37 PolarHBondContact O-N 3.14Å; V35-E39 HydrophobicContact CG1-CB 4.02Å; V35-E39 HydrophobicContact CG1-CG 3.68Å; V35-L40 HydrophobicContact CB-CD1 4.33Å; V35-L40 HydrophobicContact CB-CD2 3.81Å; V35-L40 HydrophobicContact CB-CG 3.96Å; V35-L40 HydrophobicContact CG1-CD2 3.57Å; V35-L40 HydrophobicContact CG1-CG 3.75Å; V35-L40 HydrophobicContact CG2-CD2 4.39Å; V35-Y233 HydrophobicContact CB-CE1 4.31Å; V35-Y233 HydrophobicContact CG1-CD1 4.31Å; V35-Y233 HydrophobicContact CG1-CE1 3.78Å; V35-Y233 HydrophobicContact CG2-CE1 4.08Å
36	P	95	Very high	72.8	Confident	54 Å²	54	70.6 Å²	70.6	35%	0.351	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-53.7	136.6	-179.2	-27.4	34.4	0	0	0	111.3	I38 E39 L40 Y233	P36-I38 HydrophobicContact CB-CG2 4.1Å; P36-I38 PolarHBondContact O-N 2.74Å; P36-E39 HydrophobicContact CB-CB 4.14Å; P36-E39 WeakPolarHBondContact O-CA 3.39Å; P36-E39 VanDerWaalsContact O-CB 3.28Å; P36-E39 WeakPolarHBondContact O-CB 3.5Å; P36-E39 PolarHBondContact O-N 3.26Å; P36-L40 PolarHBondContact O-N 3.37Å; P36-Y233 HydrophobicContact CG-CD2 3.95Å; P36-Y233 HydrophobicContact CG-CE2 4.09Å
37	L	95	Very high	75.9	Confident	87 Å²	87	66 Å²	66	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-56.6	-36.9	-178.5	-70.7	178.1	0	0	0	112.5	V35 E39 L40 S41 A151	V35-L37 PolarHBondContact O-N 3.14Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-E39 PolarHBondContact O-N 3.43Å; L37-L40 HydrophobicContact CD2-CD1 4.47Å; L37-L40 PolarHBondContact O-N 3.43Å; L37-S41 WeakPolarHBondContact O-CB 3.26Å; L37-S41 PolarHBondContact O-N 3.36Å; L37-A151 WeakPolarHBondContact CD2-O 3.39Å
38	I	96.2	Very high	79	Confident	112 Å²	112	63.3 Å²	63.3	57%	0.574	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-37.2	175.5	-170.2	60.6	0	0	0	112.4	P36 S41 N42	P36-I38 HydrophobicContact CB-CG2 4.1Å; P36-I38 PolarHBondContact O-N 2.74Å; I38-S41 PolarHBondContact O-N 2.91Å; I38-N42 WeakPolarHBondContact O-CB 3.19Å; I38-N42 PolarHBondContact O-N 3.15Å; I38-N42 PolarHBondContact O-ND2 3.08Å; I38-N42 PolarHBondContact O-OD1 3.29Å
39	E	97.4	Very high	81.9	Confident	22 Å²	22	58.6 Å²	58.6	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-67.9	-44.5	176.9	173.6	72.3	-174.6	0	0	110.3	V35 P36 L37 N42 R43 S231 Y233	V35-E39 HydrophobicContact CG1-CB 4.02Å; V35-E39 HydrophobicContact CG1-CG 3.68Å; P36-E39 HydrophobicContact CB-CB 4.14Å; P36-E39 WeakPolarHBondContact O-CA 3.39Å; P36-E39 VanDerWaalsContact O-CB 3.28Å; P36-E39 WeakPolarHBondContact O-CB 3.5Å; P36-E39 PolarHBondContact O-N 3.26Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-E39 PolarHBondContact O-N 3.43Å; E39-N42 PolarHBondContact O-N 2.93Å; E39-R43 VanDerWaalsContact O-CG 3.22Å; E39-R43 WeakPolarHBondContact O-CG 3.25Å; E39-R43 PolarHBondContact O-N 3.37Å; E39-R43 VanDerWaalsContact O-N 3.08Å; E39-R43 IonicContact OE1-CZ 3.97Å; E39-R43 IonicContact OE1-NE 3.29Å; E39-R43 PolarHBondContact OE1-NE 2.78Å; E39-R43 IonicContact OE1-NH2 3.94Å; E39-R43 PolarHBondContact OE1-NH2 3.3Å; E39-S231 WeakPolarHBondContact OE1-CB 3.41Å; E39-S231 PolarHBondContact OE1-OG 3.26Å; E39-S231 PolarHBondContact OE2-OG 3.19Å; E39-S231 VanDerWaalsContact OE2-OG 3.1Å; E39-Y233 HydrophobicContact CG-CD1 3.98Å; E39-Y233 HydrophobicContact CG-CG 4.31Å
40	L	97.5	Very high	84.8	Confident	1 Å²	1	59 Å²	59	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-44	175.1	-65.3	178.7	0	0	0	111.8	V35 P36 L37 R43 R44 T95	V35-L40 HydrophobicContact CB-CD1 4.33Å; V35-L40 HydrophobicContact CB-CD2 3.81Å; V35-L40 HydrophobicContact CB-CG 3.96Å; V35-L40 HydrophobicContact CG1-CD2 3.57Å; V35-L40 HydrophobicContact CG1-CG 3.75Å; V35-L40 HydrophobicContact CG2-CD2 4.39Å; P36-L40 PolarHBondContact O-N 3.37Å; L37-L40 HydrophobicContact CD2-CD1 4.47Å; L37-L40 PolarHBondContact O-N 3.43Å; L40-R43 PolarHBondContact O-N 3.04Å; L40-R44 WeakPolarHBondContact O-CG 3.4Å; L40-R44 PolarHBondContact O-N 2.99Å; L40-R44 VanDerWaalsContact O-N 3.14Å; L40-T95 WeakPolarHBondContact CD1-O 3.15Å
41	S	96.8	Very high	87.9	Confident	52 Å²	52	52.2 Å²	52.2	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-49.9	176.2	-169.2	0	0	0	0	111.5	L37 I38 R43 R44 E45	L37-S41 WeakPolarHBondContact O-CB 3.26Å; L37-S41 PolarHBondContact O-N 3.36Å; I38-S41 PolarHBondContact O-N 2.91Å; S41-R43 VanDerWaalsContact C-N 3.32Å; S41-R43 PolarHBondContact O-N 2.76Å; S41-R44 PolarHBondContact O-N 3.47Å; S41-R44 VanDerWaalsContact O-N 3.17Å; S41-E45 PolarHBondContact O-N 3.34Å
42	N	97.8	Very high	90.7	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-41.5	179.9	-69.4	-9.6	0	0	0	112.1	I38 E39 R44 E45 I46	I38-N42 WeakPolarHBondContact O-CB 3.19Å; I38-N42 PolarHBondContact O-N 3.15Å; I38-N42 PolarHBondContact O-ND2 3.08Å; I38-N42 PolarHBondContact O-OD1 3.29Å; E39-N42 PolarHBondContact O-N 2.93Å; N42-R44 VanDerWaalsContact C-N 3.34Å; N42-R44 PolarHBondContact O-N 3.01Å; N42-E45 PolarHBondContact O-N 2.85Å; N42-I46 WeakPolarHBondContact O-CD1 3.47Å; N42-I46 WeakPolarHBondContact O-CG1 3.45Å; N42-I46 PolarHBondContact O-N 3.13Å
43	R	98.2	Very high	93.1	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-45.4	177.1	-69.1	167.8	-173.7	-170.2	-2.8	111.6	E39 L40 S41 F47 Y93 F94 E234 Y321	E39-R43 VanDerWaalsContact O-CG 3.22Å; E39-R43 WeakPolarHBondContact O-CG 3.25Å; E39-R43 PolarHBondContact O-N 3.37Å; E39-R43 VanDerWaalsContact O-N 3.08Å; E39-R43 IonicContact OE1-CZ 3.97Å; E39-R43 IonicContact OE1-NE 3.29Å; E39-R43 PolarHBondContact OE1-NE 2.78Å; E39-R43 IonicContact OE1-NH2 3.94Å; E39-R43 PolarHBondContact OE1-NH2 3.3Å; L40-R43 PolarHBondContact O-N 3.04Å; S41-R43 VanDerWaalsContact C-N 3.32Å; S41-R43 PolarHBondContact O-N 2.76Å; R43-F47 VanDerWaalsContact O-CB 3.29Å; R43-F47 WeakPolarHBondContact O-CB 3.42Å; R43-F47 PolarHBondContact O-N 2.88Å; R43-Y93 HydrophobicContact CB-CD1 4.31Å; R43-Y93 HydrophobicContact CB-CE1 3.73Å; R43-Y93 WeakPolarHBondContact CD-O 3.39Å; R43-Y93 HydrophobicContact CG-CD1 4.36Å; R43-Y93 HydrophobicContact CG-CE1 3.63Å; R43-Y93 HydrophobicContact CG-CE2 4.28Å; R43-Y93 PolarHBondContact NH1-O 3.32Å; R43-F94 HydrophobicContact CB-CD1 4.19Å; R43-F94 HydrophobicContact CB-CE1 4.38Å; R43-E234 IonicContact NH2-OE1 2.7Å; R43-Y321 PolarHBondContact NH2-OH 3.48Å
44	R	97.8	Very high	95.1	Very high	18 Å²	18	46.8 Å²	46.8	7%	0.068	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-43.4	178.2	-71.7	-164.3	-61.1	-96.9	3.4	111.5	L40 S41 N42 F47 V48 F94 F106 T152 G153	L40-R44 WeakPolarHBondContact O-CG 3.4Å; L40-R44 PolarHBondContact O-N 2.99Å; L40-R44 VanDerWaalsContact O-N 3.14Å; S41-R44 PolarHBondContact O-N 3.47Å; S41-R44 VanDerWaalsContact O-N 3.17Å; N42-R44 VanDerWaalsContact C-N 3.34Å; N42-R44 PolarHBondContact O-N 3.01Å; R44-F47 WeakPolarHBondContact O-CB 3.34Å; R44-F47 PolarHBondContact O-N 3.09Å; R44-V48 WeakPolarHBondContact O-CG2 3.46Å; R44-V48 PolarHBondContact O-N 3.39Å; R44-F94 HydrophobicContact CG-CB 4.31Å; R44-F94 HydrophobicContact CG-CD1 3.87Å; R44-F94 HydrophobicContact CG-CG 4.49Å; R44-F94 PolarHBondContact NH1-O 3.1Å; R44-F106 HydrophobicContact CB-CE1 3.83Å; R44-F106 HydrophobicContact CB-CZ 4.34Å; R44-F106 HydrophobicContact CG-CE1 3.74Å; R44-F106 HydrophobicContact CG-CZ 3.81Å; R44-T152 PolarHBondContact NH1-O 3.18Å; R44-T152 PolarHBondContact NH2-O 3.23Å; R44-G153 VanDerWaalsContact NH2-C 3.31Å; R44-G153 PolarHBondContact NH2-O 2.71Å
45	E	97.2	Very high	95.8	Very high	107 Å²	107	42.7 Å²	42.7	50%	0.5	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-50.1	177.6	-171.9	-177.6	175.5	0	0	112.3	S41 N42 F47 V48 N49	S41-E45 PolarHBondContact O-N 3.34Å; N42-E45 PolarHBondContact O-N 2.85Å; E45-F47 PolarHBondContact O-N 2.95Å; E45-V48 VanDerWaalsContact O-CG2 3.24Å; E45-V48 WeakPolarHBondContact O-CG2 3.32Å; E45-V48 PolarHBondContact O-N 3.28Å; E45-N49 WeakPolarHBondContact O-CB 3.45Å; E45-N49 VanDerWaalsContact O-CG 3.25Å; E45-N49 PolarHBondContact O-N 3.37Å; E45-N49 PolarHBondContact O-ND2 3.36Å
46	I	97.5	Very high	95.5	Very high	87 Å²	87	45.7 Å²	45.7	45%	0.446	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-39.2	177.4	-63.7	164.6	0	0	0	110.3	N42 K50 I226	N42-I46 WeakPolarHBondContact O-CD1 3.47Å; N42-I46 WeakPolarHBondContact O-CG1 3.45Å; N42-I46 PolarHBondContact O-N 3.13Å; I46-K50 PolarHBondContact O-N 3.17Å; I46-K50 VanDerWaalsContact O-N 3.17Å; I46-I226 HydrophobicContact CG2-CB 4.47Å; I46-I226 HydrophobicContact CG2-CG2 3.56Å
47	F	98.1	Very high	95.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-52.6	177.7	177.7	-113	0	0	0	112.3	R43 R44 E45 N49 K50 V51 V67 F94 F106 P219 L222 I223 I226	R43-F47 VanDerWaalsContact O-CB 3.29Å; R43-F47 WeakPolarHBondContact O-CB 3.42Å; R43-F47 PolarHBondContact O-N 2.88Å; R44-F47 WeakPolarHBondContact O-CB 3.34Å; R44-F47 PolarHBondContact O-N 3.09Å; E45-F47 PolarHBondContact O-N 2.95Å; F47-N49 VanDerWaalsContact C-N 3.26Å; F47-N49 PolarHBondContact O-N 2.98Å; F47-K50 WeakPolarHBondContact O-CB 3.22Å; F47-K50 PolarHBondContact O-N 2.97Å; F47-K50 VanDerWaalsContact O-N 3.07Å; F47-V51 HydrophobicContact CD1-CG2 4.41Å; F47-V51 HydrophobicContact CD2-CG2 4.33Å; F47-V51 HydrophobicContact CE1-CG2 3.94Å; F47-V51 HydrophobicContact CE2-CG2 3.84Å; F47-V51 HydrophobicContact CZ-CG2 3.63Å; F47-V51 WeakPolarHBondContact O-CG2 3.2Å; F47-V51 PolarHBondContact O-N 3.08Å; F47-V67 HydrophobicContact CE1-CB 4.34Å; F47-V67 HydrophobicContact CE1-CG1 3.85Å; F47-V67 HydrophobicContact CE1-CG2 4.15Å; F47-V67 HydrophobicContact CZ-CG1 3.78Å; F47-V67 HydrophobicContact CZ-CG2 4.34Å; F47-F94 HydrophobicContact CB-CE1 3.66Å; F47-F94 HydrophobicContact CB-CZ 3.85Å; F47-F94 HydrophobicContact CD1-CE1 4.28Å; F47-F94 AromaticContact CD1-CZ 3.98Å; F47-F94 HydrophobicContact CD1-CZ 3.98Å; F47-F94 AromaticContact CD2-CZ 3.87Å; F47-F94 HydrophobicContact CD2-CZ 3.87Å; F47-F94 HydrophobicContact CE2-CZ 4.46Å; F47-F94 AromaticContact CG-CE1 3.91Å; F47-F94 HydrophobicContact CG-CE1 3.91Å; F47-F94 AromaticContact CG-CZ 3.6Å; F47-F94 HydrophobicContact CG-CZ 3.6Å; F47-F106 HydrophobicContact CD1-CD1 4.39Å; F47-F106 HydrophobicContact CD1-CD2 4.31Å; F47-F106 HydrophobicContact CD1-CE1 4.09Å; F47-F106 HydrophobicContact CD1-CE2 4.01Å; F47-F106 HydrophobicContact CD1-CG 4.49Å; F47-F106 AromaticContact CD1-CZ 3.88Å; F47-F106 HydrophobicContact CD1-CZ 3.88Å; F47-F106 AromaticContact CE1-CD2 3.95Å; F47-F106 HydrophobicContact CE1-CD2 3.95Å; F47-F106 AromaticContact CE1-CE2 3.94Å; F47-F106 HydrophobicContact CE1-CE2 3.94Å; F47-F106 HydrophobicContact CE1-CG 4.33Å; F47-F106 HydrophobicContact CE1-CZ 4.29Å; F47-P219 HydrophobicContact CE2-CB 4.5Å; F47-P219 HydrophobicContact CZ-CB 4.16Å; F47-L222 HydrophobicContact CD2-CB 4.38Å; F47-L222 HydrophobicContact CE2-CB 4Å; F47-I223 HydrophobicContact CD2-CG1 4Å; F47-I223 HydrophobicContact CE2-CD1 4.35Å; F47-I223 HydrophobicContact CE2-CG1 3.48Å; F47-I223 VanDerWaalsContact CE2-CG1 3.48Å; F47-I223 HydrophobicContact CZ-CG1 4.12Å; F47-I226 HydrophobicContact CB-CD1 3.85Å; F47-I226 HydrophobicContact CD2-CD1 4.25Å; F47-I226 HydrophobicContact CG-CD1 4.44Å
48	V	96.4	Very high	95.1	Very high	17 Å²	17	47 Å²	47	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-33.8	-179.6	-62.5	0	0	0	0	112	R44 E45 K50 V51 N52 F106 W122	R44-V48 WeakPolarHBondContact O-CG2 3.46Å; R44-V48 PolarHBondContact O-N 3.39Å; E45-V48 VanDerWaalsContact O-CG2 3.24Å; E45-V48 WeakPolarHBondContact O-CG2 3.32Å; E45-V48 PolarHBondContact O-N 3.28Å; V48-K50 VanDerWaalsContact C-N 3.33Å; V48-K50 PolarHBondContact O-N 3.42Å; V48-V51 PolarHBondContact O-N 3.24Å; V48-N52 WeakPolarHBondContact O-CB 3.46Å; V48-N52 PolarHBondContact O-N 2.98Å; V48-F106 HydrophobicContact CG1-CD1 3.55Å; V48-F106 HydrophobicContact CG1-CE1 4.06Å; V48-F106 HydrophobicContact CG1-CG 4.36Å; V48-W122 HydrophobicContact CB-CB 4.42Å; V48-W122 HydrophobicContact CB-CD2 4.04Å; V48-W122 HydrophobicContact CB-CG 3.85Å; V48-W122 HydrophobicContact CG1-CB 4.1Å; V48-W122 HydrophobicContact CG1-CD2 3.87Å; V48-W122 HydrophobicContact CG1-CE3 4.21Å; V48-W122 HydrophobicContact CG1-CG 3.84Å; V48-W122 HydrophobicContact CG2-CG 4.44Å
49	N	95.8	Very high	94.6	Very high	71 Å²	71	48.9 Å²	48.9	38%	0.38	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-41.1	173.6	-73.6	-20.3	0	0	0	112	E45 F47 N52 I53	E45-N49 WeakPolarHBondContact O-CB 3.45Å; E45-N49 VanDerWaalsContact O-CG 3.25Å; E45-N49 PolarHBondContact O-N 3.37Å; E45-N49 PolarHBondContact O-ND2 3.36Å; F47-N49 VanDerWaalsContact C-N 3.26Å; F47-N49 PolarHBondContact O-N 2.98Å; N49-N52 PolarHBondContact O-N 3.4Å; N49-I53 WeakPolarHBondContact O-CG1 3.38Å; N49-I53 PolarHBondContact O-N 3.38Å; N49-I53 VanDerWaalsContact O-N 3.16Å
50	K	96.5	Very high	93.9	Very high	69 Å²	69	52 Å²	52	30%	0.3	27%	0.271	S	S	.	.	H	α-helix	trans	-65.9	-42.6	174	-77.2	179.9	175.8	-75.9	0	112.3	I46 F47 V48 N52 I53 C54 L222 S225 I226	I46-K50 PolarHBondContact O-N 3.17Å; I46-K50 VanDerWaalsContact O-N 3.17Å; F47-K50 WeakPolarHBondContact O-CB 3.22Å; F47-K50 PolarHBondContact O-N 2.97Å; F47-K50 VanDerWaalsContact O-N 3.07Å; V48-K50 VanDerWaalsContact C-N 3.33Å; V48-K50 PolarHBondContact O-N 3.42Å; K50-N52 VanDerWaalsContact C-N 3.31Å; K50-N52 PolarHBondContact O-N 2.73Å; K50-I53 PolarHBondContact O-N 3.35Å; K50-C54 PolarHBondContact O-N 3.25Å; K50-C54 VanDerWaalsContact O-N 3.15Å; K50-C54 PolarHBondContact O-SG 3.31Å; K50-L222 HydrophobicContact CB-CD2 4.19Å; K50-S225 WeakPolarHBondContact CD-OG 3.45Å; K50-S225 WeakPolarHBondContact CE-OG 3.21Å; K50-S225 PolarHBondContact NZ-OG 3.39Å; K50-I226 HydrophobicContact CD-CG2 3.53Å
51	V	95.4	Very high	93.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-41.1	176.3	180	0	0	0	0	110.7	F47 V48 I53 C54 A55 V67 W122 W180 L222	F47-V51 HydrophobicContact CD1-CG2 4.41Å; F47-V51 HydrophobicContact CD2-CG2 4.33Å; F47-V51 HydrophobicContact CE1-CG2 3.94Å; F47-V51 HydrophobicContact CE2-CG2 3.84Å; F47-V51 HydrophobicContact CZ-CG2 3.63Å; F47-V51 WeakPolarHBondContact O-CG2 3.2Å; F47-V51 PolarHBondContact O-N 3.08Å; V48-V51 PolarHBondContact O-N 3.24Å; V51-I53 PolarHBondContact O-N 3.25Å; V51-C54 PolarHBondContact O-N 3.09Å; V51-A55 VanDerWaalsContact O-CB 3.29Å; V51-A55 WeakPolarHBondContact O-CB 3.41Å; V51-A55 PolarHBondContact O-N 3.05Å; V51-V67 HydrophobicContact CG1-CG2 4.42Å; V51-V67 HydrophobicContact CG2-CG2 4.45Å; V51-W122 HydrophobicContact CB-CH2 4.27Å; V51-W122 HydrophobicContact CB-CZ2 4.08Å; V51-W122 HydrophobicContact CG1-CH2 3.52Å; V51-W122 HydrophobicContact CG1-CZ2 3.6Å; V51-W180 HydrophobicContact CG1-CD2 4.35Å; V51-W180 HydrophobicContact CG1-CH2 4.45Å; V51-W180 HydrophobicContact CG1-CZ2 3.68Å; V51-L222 HydrophobicContact CB-CD1 4.49Å; V51-L222 HydrophobicContact CG2-CD1 3.8Å
52	N	92.7	Very high	92.8	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.032	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-45.4	175.5	-85.5	-15.2	0	0	0	112.4	V48 N49 K50 C54 A55 K56 L120 W122	V48-N52 WeakPolarHBondContact O-CB 3.46Å; V48-N52 PolarHBondContact O-N 2.98Å; N49-N52 PolarHBondContact O-N 3.4Å; K50-N52 VanDerWaalsContact C-N 3.31Å; K50-N52 PolarHBondContact O-N 2.73Å; N52-C54 VanDerWaalsContact C-N 3.35Å; N52-C54 PolarHBondContact O-N 3.21Å; N52-A55 PolarHBondContact O-N 3.04Å; N52-K56 WeakPolarHBondContact O-CG 3.38Å; N52-K56 PolarHBondContact O-N 3.46Å; N52-L120 WeakPolarHBondContact OD1-CB 3.41Å; N52-W122 VanDerWaalsContact CG-NE1 3.35Å; N52-W122 PolarHBondContact ND2-NE1 3.13Å; N52-W122 PolarHBondContact OD1-NE1 2.82Å
53	I	93.3	Very high	92.3	Very high	99 Å²	99	51.2 Å²	51.2	51%	0.508	26%	0.26	S	S	.	.	H	α-helix	trans	-59.4	-47.8	176.9	-67.7	164.8	0	0	0	110.4	N49 K50 V51 K56 Q57	N49-I53 WeakPolarHBondContact O-CG1 3.38Å; N49-I53 PolarHBondContact O-N 3.38Å; N49-I53 VanDerWaalsContact O-N 3.16Å; K50-I53 PolarHBondContact O-N 3.35Å; V51-I53 PolarHBondContact O-N 3.25Å; I53-K56 PolarHBondContact O-N 3.28Å; I53-Q57 WeakPolarHBondContact O-CG 3.3Å; I53-Q57 PolarHBondContact O-N 2.86Å
54	C	93.3	Very high	92	Very high	21 Å²	21	51.2 Å²	51.2	14%	0.142	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-41.9	178.7	-64.7	0	0	0	0	112	K50 V51 N52 K56 Q57 M58 W180 Y221	K50-C54 PolarHBondContact O-N 3.25Å; K50-C54 VanDerWaalsContact O-N 3.15Å; K50-C54 PolarHBondContact O-SG 3.31Å; V51-C54 PolarHBondContact O-N 3.09Å; N52-C54 VanDerWaalsContact C-N 3.35Å; N52-C54 PolarHBondContact O-N 3.21Å; C54-K56 VanDerWaalsContact C-N 3.26Å; C54-K56 PolarHBondContact O-N 3.44Å; C54-Q57 WeakPolarHBondContact O-CB 3.38Å; C54-Q57 PolarHBondContact O-N 2.76Å; C54-M58 PolarHBondContact O-N 3.21Å; C54-W180 HydrophobicContact CB-CH2 3.7Å; C54-W180 HydrophobicContact CB-CZ2 4.4Å; C54-Y221 PolarHBondContact SG-OH 2.8Å
55	A	90.4	Very high	91.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-32.6	177	0	0	0	0	0	112.5	V51 N52 Q57 R114 L120	V51-A55 VanDerWaalsContact O-CB 3.29Å; V51-A55 WeakPolarHBondContact O-CB 3.41Å; V51-A55 PolarHBondContact O-N 3.05Å; N52-A55 PolarHBondContact O-N 3.04Å; A55-Q57 VanDerWaalsContact C-N 3.26Å; A55-Q57 PolarHBondContact O-N 3.14Å; A55-R114 PolarHBondContact O-NH1 3.09Å; A55-R114 PolarHBondContact O-NH2 3.1Å; A55-L120 HydrophobicContact CB-CD1 4.4Å
56	K	88	Confident	91.8	Very high	67 Å²	67	45.3 Å²	45.3	29%	0.291	23%	0.233	S	C	.	.	H	α-helix	trans	-68.7	-25.4	174	-74.9	176	176.5	-179.9	0	112.5	N52 I53 C54 Q117 S118 D119	N52-K56 WeakPolarHBondContact O-CG 3.38Å; N52-K56 PolarHBondContact O-N 3.46Å; I53-K56 PolarHBondContact O-N 3.28Å; C54-K56 VanDerWaalsContact C-N 3.26Å; C54-K56 PolarHBondContact O-N 3.44Å; K56-Q117 PolarHBondContact NZ-O 2.99Å; K56-S118 VanDerWaalsContact CE-O 3.25Å; K56-S118 WeakPolarHBondContact CE-O 3.43Å; K56-D119 IonicContact NZ-OD1 2.78Å; K56-D119 PolarHBondContact NZ-OD1 3.44Å
57	Q	90.2	Very high	91.8	Very high	149 Å²	149	41.1 Å²	41.1	70%	0.696	21%	0.212	S	C	*	.	H	α-helix	trans	-92.2	-8.9	-179.1	-65.2	173.2	-9.4	0	0	113.9	I53 C54 A55	I53-Q57 WeakPolarHBondContact O-CG 3.3Å; I53-Q57 PolarHBondContact O-N 2.86Å; C54-Q57 WeakPolarHBondContact O-CB 3.38Å; C54-Q57 PolarHBondContact O-N 2.76Å; A55-Q57 VanDerWaalsContact C-N 3.26Å; A55-Q57 PolarHBondContact O-N 3.14Å
58	M	89.9	Confident	91.8	Very high	19 Å²	19	41.2 Å²	41.2	9%	0.094	21%	0.212	C	C	.	.			trans	-66.3	135.4	178.5	-72	179.7	176.4	0	0	112.1	C54 N60 K61 P62 W180 E217	C54-M58 PolarHBondContact O-N 3.21Å; M58-N60 VanDerWaalsContact C-N 3.35Å; M58-N60 PolarHBondContact O-N 2.92Å; M58-K61 WeakPolarHBondContact O-CG 3.32Å; M58-K61 PolarHBondContact O-N 3.09Å; M58-P62 HydrophobicContact SD-CG 4.18Å; M58-W180 HydrophobicContact CE-CH2 3.3Å; M58-W180 HydrophobicContact CE-CZ2 3.06Å; M58-W180 HydrophobicContact CE-CZ3 4.27Å; M58-W180 HydrophobicContact SD-CZ2 4.44Å; M58-E217 HydrophobicContact CE-CG 3.59Å
59	V	85.9	Confident	91.9	Very high	152 Å²	152	40.7 Å²	40.7	92%	0.921	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-42.1	-179.9	178.1	0	0	0	0	112	K61	V59-K61 VanDerWaalsContact C-N 3.34Å
60	N	82.4	Confident	91.9	Very high	87 Å²	87	37.8 Å²	37.8	47%	0.465	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.2	-177.3	63.6	-19.9	0	0	0	114	M58 P62 S215	M58-N60 VanDerWaalsContact C-N 3.35Å; M58-N60 PolarHBondContact O-N 2.92Å; N60-P62 WeakPolarHBondContact OD1-CD 3.44Å; N60-S215 PolarHBondContact ND2-OG 3.31Å
61	K	85	Confident	91.9	Very high	82 Å²	82	34.5 Å²	34.5	36%	0.357	18%	0.18	S	C	.	.			trans	32.8	64.5	-179.6	-64.2	-174.7	176.6	-178.1	0	113.9	M58 V59 S63 D116	M58-K61 WeakPolarHBondContact O-CG 3.32Å; M58-K61 PolarHBondContact O-N 3.09Å; V59-K61 VanDerWaalsContact C-N 3.34Å; K61-S63 PolarHBondContact O-N 2.92Å; K61-D116 IonicContact NZ-OD1 2.74Å; K61-D116 PolarHBondContact NZ-OD1 2.85Å; K61-D116 IonicContact NZ-OD2 2.86Å; K61-D116 PolarHBondContact NZ-OD2 2.84Å
62	P	88.1	Confident	92	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.184	C	C	.	.			trans	-56.2	138.6	-179.7	-21.7	36	0	0	0	110.4	M58 N60 H65 S176 C178	M58-P62 HydrophobicContact SD-CG 4.18Å; N60-P62 WeakPolarHBondContact OD1-CD 3.44Å; P62-H65 PolarHBondContact O-NE2 2.82Å; P62-H65 VanDerWaalsContact O-NE2 3.1Å; P62-S176 WeakPolarHBondContact CA-OG 3.37Å; P62-C178 HydrophobicContact CB-CB 3.69Å; P62-C178 HydrophobicContact CG-CB 3.59Å
63	S	86.3	Confident	92.1	Very high	18 Å²	18	36.5 Å²	36.5	13%	0.126	19%	0.19	C	C	.	.	S	Bend	trans	-86.1	-16	-179.5	50.4	0	0	0	0	113.1	K61 Q175 S176	K61-S63 PolarHBondContact O-N 2.92Å; S63-Q175 WeakPolarHBondContact OG-CB 3.32Å; S63-Q175 WeakPolarHBondContact OG-CG 3.35Å; S63-S176 PolarHBondContact N-O 2.96Å; S63-S176 PolarHBondContact N-OG 3.47Å
64	Y	91.4	Very high	92.1	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129	178.5	-173.9	-124.1	0	0	0	110.9	I66 T108 K110 Q170 S176 I177 C178	Y64-I66 HydrophobicContact CD1-CD1 4.43Å; Y64-I66 HydrophobicContact CD1-CG1 4.23Å; Y64-I66 HydrophobicContact CE1-CD1 3.66Å; Y64-I66 HydrophobicContact CE1-CG1 3.62Å; Y64-T108 WeakPolarHBondContact CD2-OG1 3.18Å; Y64-T108 WeakPolarHBondContact CE2-O 3.27Å; Y64-K110 HydrophobicContact CD2-CG 3.75Å; Y64-K110 HydrophobicContact CE2-CG 3.78Å; Y64-K110 HydrophobicContact CG-CG 4.31Å; Y64-Q170 HydrophobicContact CE1-CB 4.15Å; Y64-Q170 HydrophobicContact CE1-CG 4.29Å; Y64-Q170 PolarHBondContact OH-OE1 3.29Å; Y64-S176 PolarHBondContact N-O 3.01Å; Y64-S176 VanDerWaalsContact N-O 3.11Å; Y64-I177 HydrophobicContact CD1-CB 4.42Å; Y64-I177 HydrophobicContact CD1-CD1 4.05Å; Y64-I177 HydrophobicContact CD1-CG1 3.95Å; Y64-I177 HydrophobicContact CD1-CG2 3.86Å; Y64-I177 CarbonylContact O-C 3.5Å; Y64-I177 VanDerWaalsContact O-CA 3.27Å; Y64-I177 WeakPolarHBondContact O-CA 3.5Å; Y64-C178 PolarHBondContact O-N 2.95Å
65	H	94.5	Very high	92.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139	178.8	-65.1	-96.2	0	0	0	111.3	P62 C107 T108 W122 C178 W180	P62-H65 PolarHBondContact O-NE2 2.82Å; P62-H65 VanDerWaalsContact O-NE2 3.1Å; H65-C107 WeakPolarHBondContact O-CA 3.4Å; H65-T108 HydrophobicContact CB-CG2 3.91Å; H65-T108 PolarHBondContact N-OG1 2.77Å; H65-T108 PolarHBondContact O-N 2.84Å; H65-T108 VanDerWaalsContact O-N 3.09Å; H65-W122 HydrophobicContact CB-CH2 3.69Å; H65-W122 HydrophobicContact CB-CZ2 4.42Å; H65-W122 HydrophobicContact CB-CZ3 4.25Å; H65-C178 WeakPolarHBondContact CA-O 3.44Å; H65-C178 WeakPolarHBondContact ND1-CB 3.49Å; H65-W180 AromaticContact CG-NE1 3.98Å; H65-W180 AromaticContact ND1-NE1 3.22Å; H65-W180 PolarHBondContact ND1-NE1 3.22Å
66	I	96.5	Very high	92.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.1	172.3	-51.8	176.1	0	0	0	107.7	Y64 V68 L105 F106 Q170 I177 C178 V179 W180 F205	Y64-I66 HydrophobicContact CD1-CD1 4.43Å; Y64-I66 HydrophobicContact CD1-CG1 4.23Å; Y64-I66 HydrophobicContact CE1-CD1 3.66Å; Y64-I66 HydrophobicContact CE1-CG1 3.62Å; I66-V68 HydrophobicContact CG2-CG2 4.05Å; I66-L105 HydrophobicContact CG2-CD1 4.44Å; I66-L105 HydrophobicContact CG2-CD2 4.31Å; I66-F106 CarbonylContact C-O 3.59Å; I66-F106 WeakPolarHBondContact CA-O 3.28Å; I66-Q170 HydrophobicContact CD1-CB 4.31Å; I66-Q170 HydrophobicContact CD1-CG 4.3Å; I66-I177 HydrophobicContact CD1-CG2 4.25Å; I66-I177 HydrophobicContact CG1-CG2 4.4Å; I66-C178 PolarHBondContact N-O 2.79Å; I66-V179 CarbonylContact O-C 3.52Å; I66-V179 VanDerWaalsContact O-CA 3.31Å; I66-V179 WeakPolarHBondContact O-CA 3.35Å; I66-W180 PolarHBondContact O-N 2.79Å; I66-F205 HydrophobicContact CD1-CE1 4.28Å; I66-F205 HydrophobicContact CD1-CZ 4.03Å
67	V	98	Very high	92.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.1	167.3	-174	0	0	0	0	108.9	F47 V51 I69 L105 F106 W122 W180 P219	F47-V67 HydrophobicContact CE1-CB 4.34Å; F47-V67 HydrophobicContact CE1-CG1 3.85Å; F47-V67 HydrophobicContact CE1-CG2 4.15Å; F47-V67 HydrophobicContact CZ-CG1 3.78Å; F47-V67 HydrophobicContact CZ-CG2 4.34Å; V51-V67 HydrophobicContact CG1-CG2 4.42Å; V51-V67 HydrophobicContact CG2-CG2 4.45Å; V67-I69 HydrophobicContact CG1-CD1 3.84Å; V67-I69 HydrophobicContact CG1-CG1 4.14Å; V67-L105 VanDerWaalsContact O-CA 3.24Å; V67-L105 WeakPolarHBondContact O-CA 3.42Å; V67-F106 HydrophobicContact CB-CB 4.02Å; V67-F106 HydrophobicContact CB-CD2 4.05Å; V67-F106 HydrophobicContact CB-CG 4.45Å; V67-F106 HydrophobicContact CG1-CD2 4.29Å; V67-F106 HydrophobicContact CG2-CB 4.2Å; V67-F106 PolarHBondContact N-O 2.88Å; V67-F106 PolarHBondContact O-N 3.36Å; V67-F106 VanDerWaalsContact O-N 3.08Å; V67-W122 HydrophobicContact CG2-CH2 4.14Å; V67-W122 HydrophobicContact CG2-CZ3 3.98Å; V67-W180 HydrophobicContact CB-CB 4.18Å; V67-W180 HydrophobicContact CG1-CB 4.06Å; V67-W180 HydrophobicContact CG2-CB 3.92Å; V67-W180 HydrophobicContact CG2-CG 3.96Å; V67-P219 HydrophobicContact CG1-CB 4.13Å; V67-P219 HydrophobicContact CG1-CG 4.39Å
68	V	98	Very high	92.7	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113	-178.6	-174.5	0	0	0	0	109.7	I66 I103 L105 V179 W180 Y181 V198 I202	I66-V68 HydrophobicContact CG2-CG2 4.05Å; V68-I103 HydrophobicContact CG1-CG2 4.15Å; V68-L105 HydrophobicContact CB-CD2 4.13Å; V68-L105 HydrophobicContact CG1-CD2 4.02Å; V68-L105 HydrophobicContact CG2-CD2 3.87Å; V68-V179 HydrophobicContact CG2-CG1 4.02Å; V68-W180 PolarHBondContact N-O 3.08Å; V68-Y181 HydrophobicContact CB-CD2 3.72Å; V68-Y181 HydrophobicContact CB-CE2 4.39Å; V68-Y181 HydrophobicContact CB-CG 4.14Å; V68-Y181 HydrophobicContact CG1-CD2 3.87Å; V68-Y181 HydrophobicContact CG1-CE2 4.04Å; V68-Y181 HydrophobicContact CG1-CG 4.5Å; V68-V198 HydrophobicContact CG1-CG1 3.73Å; V68-I202 HydrophobicContact CG1-CD1 4.32Å; V68-I202 HydrophobicContact CG1-CG1 4.37Å; V68-I202 HydrophobicContact CG2-CD1 3.8Å; V68-I202 HydrophobicContact CG2-CG1 4.4Å
69	I	97.6	Very high	92.8	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	100.1	175.7	-50.4	-59.6	0	0	0	108.6	V67 N90 F91 L104 F106 P219 I223	V67-I69 HydrophobicContact CG1-CD1 3.84Å; V67-I69 HydrophobicContact CG1-CG1 4.14Å; I69-N90 HydrophobicContact CG2-CB 4.28Å; I69-F91 HydrophobicContact CG2-CB 4.07Å; I69-F91 HydrophobicContact CG2-CD2 4.46Å; I69-F91 WeakPolarHBondContact O-CD2 3.35Å; I69-L104 HydrophobicContact CB-CB 4.3Å; I69-L104 PolarHBondContact N-O 2.84Å; I69-L104 PolarHBondContact O-N 2.96Å; I69-F106 HydrophobicContact CG1-CE2 4.2Å; I69-P219 HydrophobicContact CD1-CG 4.39Å; I69-I223 HydrophobicContact CD1-CD1 3.61Å
70	P	97.4	Very high	93	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.071	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	147.8	-180	32.8	-34.9	0	0	0	112.3	Y181 L194 N195 V198	P70-Y181 HydrophobicContact CG-CE2 4.01Å; P70-L194 HydrophobicContact CG-CD2 3.93Å; P70-N195 HydrophobicContact CB-CB 3.91Å; P70-V198 HydrophobicContact CB-CB 4.2Å; P70-V198 HydrophobicContact CB-CG1 4.18Å; P70-V198 HydrophobicContact CB-CG2 3.96Å
71	A	96.9	Very high	93.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-77.8	160.6	163.6	0	0	0	0	0	111.3	F91 G102 N195	A71-F91 HydrophobicContact CB-CD1 3.8Å; A71-F91 HydrophobicContact CB-CD2 3.94Å; A71-F91 HydrophobicContact CB-CE1 3.82Å; A71-F91 HydrophobicContact CB-CE2 3.98Å; A71-F91 HydrophobicContact CB-CG 3.85Å; A71-F91 HydrophobicContact CB-CZ 3.91Å; A71-G102 WeakPolarHBondContact CB-O 3.41Å; A71-G102 PolarHBondContact N-O 2.91Å; A71-N195 PolarHBondContact O-ND2 3.42Å; A71-N195 VanDerWaalsContact O-ND2 3.11Å
72	S	96	Very high	93.8	Very high	13 Å²	13	48.9 Å²	48.9	9%	0.091	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-60.2	145.2	171.5	-70.8	0	0	0	0	112.4	H86 D88 P100 N101	S72-H86 VanDerWaalsContact CB-O 3.25Å; S72-H86 WeakPolarHBondContact CB-O 3.47Å; S72-H86 PolarHBondContact OG-O 3.48Å; S72-D88 PolarHBondContact OG-N 3.42Å; S72-P100 WeakPolarHBondContact O-CA 3.45Å; S72-N101 PolarHBondContact O-N 2.75Å
73	E	94.6	Very high	94.2	Very high	34 Å²	34	54.7 Å²	54.7	16%	0.159	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-80	154.5	161.9	-66	179.2	169.9	0	0	110.9	Q75 N195 K196 F197	E73-Q75 PolarHBondContact O-N 2.67Å; E73-Q75 PolarHBondContact O-NE2 3.02Å; E73-N195 HydrophobicContact CG-CB 4.22Å; E73-N195 PolarHBondContact OE1-OD1 3.39Å; E73-K196 WeakPolarHBondContact OE1-CB 3.47Å; E73-K196 PolarHBondContact OE1-N 3.19Å; E73-F197 PolarHBondContact OE1-N 3.38Å
74	I	93.3	Very high	94.5	Very high	51 Å²	51	59.6 Å²	59.6	26%	0.262	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-64	125.1	167.4	-59.6	176.8	0	0	0	108.9	Y76 P82 P100	I74-Y76 HydrophobicContact CB-CE2 4.11Å; I74-Y76 HydrophobicContact CG2-CD2 4.27Å; I74-Y76 HydrophobicContact CG2-CE2 3.72Å; I74-P82 HydrophobicContact CG2-CB 3.75Å; I74-P100 HydrophobicContact CD1-CB 4.35Å; I74-P100 HydrophobicContact CD1-CG 4.08Å; I74-P100 HydrophobicContact CG1-CB 3.73Å; I74-P100 HydrophobicContact CG1-CG 3.99Å
75	Q	93.9	Very high	94.6	Very high	107 Å²	107	61.9 Å²	61.9	50%	0.5	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-96.1	145.6	173.3	-58.1	-54.9	-56.6	0	0	110.5	E73 P82 Y83	E73-Q75 PolarHBondContact O-N 2.67Å; E73-Q75 PolarHBondContact O-NE2 3.02Å; Q75-P82 WeakPolarHBondContact O-CA 3.39Å; Q75-Y83 HydrophobicContact CB-CD2 4.09Å; Q75-Y83 PolarHBondContact O-N 2.9Å
76	Y	93.4	Very high	94.5	Very high	127 Å²	127	66.3 Å²	66.3	50%	0.498	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128	-174.6	-71.6	-95.4	0	0	0	111	I74 A78 V81 P82	I74-Y76 HydrophobicContact CB-CE2 4.11Å; I74-Y76 HydrophobicContact CG2-CD2 4.27Å; I74-Y76 HydrophobicContact CG2-CE2 3.72Å; Y76-A78 WeakPolarHBondContact CB-O 3.48Å; Y76-V81 CarbonylContact C-O 3.56Å; Y76-P82 HydrophobicContact CD1-CB 4.32Å; Y76-P82 HydrophobicContact CE1-CB 4.26Å
77	M	94.1	Very high	94.4	Very high	116 Å²	116	66.6 Å²	66.6	57%	0.571	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	-38.9	173.7	-178.6	179.9	66.5	0	0	111.2	V81 Y83	M77-V81 HydrophobicContact CE-CB 4.37Å; M77-V81 HydrophobicContact CE-CG1 3.69Å; M77-V81 PolarHBondContact N-O 2.93Å; M77-Y83 HydrophobicContact CB-CD1 4.09Å; M77-Y83 HydrophobicContact CB-CD2 4.08Å; M77-Y83 HydrophobicContact CB-CE1 3.73Å; M77-Y83 HydrophobicContact CB-CE2 3.73Å; M77-Y83 HydrophobicContact CB-CG 4.25Å; M77-Y83 HydrophobicContact CG-CE1 3.85Å; M77-Y83 HydrophobicContact CG-CE2 4.4Å; M77-Y83 HydrophobicContact SD-CE1 4.21Å
78	A	94.4	Very high	94.3	Very high	50 Å²	50	67.8 Å²	67.8	41%	0.413	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	171.9	172.2	0	0	0	0	0	108.7	Y76 H80 V81	Y76-A78 WeakPolarHBondContact CB-O 3.48Å; A78-H80 PolarHBondContact O-N 3.24Å; A78-V81 HydrophobicContact CB-CB 4.16Å; A78-V81 HydrophobicContact CB-CG2 4.21Å; A78-V81 PolarHBondContact N-O 3.46Å; A78-V81 PolarHBondContact O-N 3Å
79	Y	90.9	Very high	94.2	Very high	197 Å²	197	70.6 Å²	70.6	77%	0.773	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-38.5	-168.4	-169.7	-109.8	0	0	0	115.6
80	H	89.4	Confident	94.2	Very high	147 Å²	147	71.2 Å²	71.2	68%	0.681	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	18.7	176.1	-65.1	-43.1	0	0	0	114	A78	A78-H80 PolarHBondContact O-N 3.24Å
81	V	92.3	Very high	94.2	Very high	72 Å²	72	70.8 Å²	70.8	44%	0.436	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	104.4	-179	-172.2	0	0	0	0	109	Y76 M77 A78	Y76-V81 CarbonylContact C-O 3.56Å; M77-V81 HydrophobicContact CE-CB 4.37Å; M77-V81 HydrophobicContact CE-CG1 3.69Å; M77-V81 PolarHBondContact N-O 2.93Å; A78-V81 HydrophobicContact CB-CB 4.16Å; A78-V81 HydrophobicContact CB-CG2 4.21Å; A78-V81 PolarHBondContact N-O 3.46Å; A78-V81 PolarHBondContact O-N 3Å
82	P	93.7	Very high	94.2	Very high	69 Å²	69	72.3 Å²	72.3	45%	0.448	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	149	-179.9	30.4	-34.6	0	0	0	111.3	I74 Q75 Y76	I74-P82 HydrophobicContact CG2-CB 3.75Å; Q75-P82 WeakPolarHBondContact O-CA 3.39Å; Y76-P82 HydrophobicContact CD1-CB 4.32Å; Y76-P82 HydrophobicContact CE1-CB 4.26Å
83	Y	95.3	Very high	94.3	Very high	123 Å²	123	72.5 Å²	72.5	48%	0.482	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-68.6	157.3	159.1	-76	-72	0	0	0	109.9	Q75 M77 F85	Q75-Y83 HydrophobicContact CB-CD2 4.09Å; Q75-Y83 PolarHBondContact O-N 2.9Å; M77-Y83 HydrophobicContact CB-CD1 4.09Å; M77-Y83 HydrophobicContact CB-CD2 4.08Å; M77-Y83 HydrophobicContact CB-CE1 3.73Å; M77-Y83 HydrophobicContact CB-CE2 3.73Å; M77-Y83 HydrophobicContact CB-CG 4.25Å; M77-Y83 HydrophobicContact CG-CE1 3.85Å; M77-Y83 HydrophobicContact CG-CE2 4.4Å; M77-Y83 HydrophobicContact SD-CE1 4.21Å; Y83-F85 PolarHBondContact O-N 3.32Å
84	P	92.3	Very high	94.4	Very high	122 Å²	122	70.9 Å²	70.9	79%	0.792	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-51.3	127.3	163.5	-25.1	34.9	0	0	0	110.3
85	F	93.2	Very high	94.6	Very high	52 Å²	52	68.4 Å²	68.4	23%	0.228	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-62.2	138.6	-176.3	179.3	-108.7	0	0	0	111.5	Y83 Q87 N98 P100	Y83-F85 PolarHBondContact O-N 3.32Å; F85-Q87 HydrophobicContact CE1-CB 3.93Å; F85-Q87 HydrophobicContact CZ-CB 4.25Å; F85-N98 WeakPolarHBondContact CE1-OD1 3.46Å; F85-P100 HydrophobicContact CD2-CB 4.18Å; F85-P100 HydrophobicContact CE2-CB 3.64Å; F85-P100 HydrophobicContact CZ-CB 4.02Å
86	H	92.9	Very high	94.7	Very high	94 Å²	94	64.3 Å²	64.3	44%	0.435	33%	0.326	S	S	.	.			trans	-132.4	116.2	173.7	-172.5	-54.7	0	0	0	108.8	S72 R317	S72-H86 VanDerWaalsContact CB-O 3.25Å; S72-H86 WeakPolarHBondContact CB-O 3.47Å; S72-H86 PolarHBondContact OG-O 3.48Å; H86-R317 PolarHBondContact CD2-NH1 3.3Å; H86-R317 PolarHBondContact CD2-NH2 3.1Å; H86-R317 PolarHBondContact CE1-NH1 2.86Å; H86-R317 PolarHBondContact NE2-NH1 2.95Å
87	Q	95.4	Very high	94.8	Very high	7 Å²	7	59 Å²	59	3%	0.033	31%	0.306	C	S	.	.			trans	-69.7	152.8	178.6	-172.8	58.2	-80.4	0	0	112.4	F85 F91 F92 L97 N98 E99	F85-Q87 HydrophobicContact CE1-CB 3.93Å; F85-Q87 HydrophobicContact CZ-CB 4.25Å; Q87-F91 VanDerWaalsContact CD-CD1 3.47Å; Q87-F91 HydrophobicContact CG-CD1 3.96Å; Q87-F91 VanDerWaalsContact NE2-CD1 3.31Å; Q87-F92 HydrophobicContact CB-CB 4.35Å; Q87-F92 HydrophobicContact CG-CB 3.77Å; Q87-F92 HydrophobicContact CG-CD2 4.36Å; Q87-L97 WeakPolarHBondContact CG-O 3.3Å; Q87-L97 PolarHBondContact NE2-O 3.13Å; Q87-N98 WeakPolarHBondContact CB-OD1 3.48Å; Q87-E99 PolarHBondContact NE2-O 2.92Å
88	D	95.8	Very high	94.7	Very high	25 Å²	25	57 Å²	57	13%	0.134	30%	0.298	C	S	.	.			trans	-62.5	128.4	166.4	173.9	-101.8	0	0	0	110.7	S72 N90 F91 F92 L194	S72-D88 PolarHBondContact OG-N 3.42Å; D88-N90 VanDerWaalsContact C-N 3.27Å; D88-N90 PolarHBondContact O-N 2.98Å; D88-N90 WeakPolarHBondContact OD1-CA 3.46Å; D88-N90 VanDerWaalsContact OD1-CB 3.26Å; D88-N90 WeakPolarHBondContact OD1-CB 3.29Å; D88-N90 PolarHBondContact OD1-N 3.02Å; D88-F91 HydrophobicContact CB-CB 4.13Å; D88-F91 PolarHBondContact O-N 3.27Å; D88-F91 PolarHBondContact OD1-N 2.9Å; D88-F92 WeakPolarHBondContact O-CB 3.47Å; D88-F92 PolarHBondContact O-N 3.01Å; D88-L194 HydrophobicContact CB-CD1 4.19Å; D88-L194 HydrophobicContact CB-CD2 3.55Å; D88-L194 HydrophobicContact CB-CG 4.43Å; D88-L194 VanDerWaalsContact CG-CD2 3.41Å; D88-L194 WeakPolarHBondContact OD2-CD2 3.49Å
89	P	95.8	Very high	94.6	Very high	59 Å²	59	57.5 Å²	57.5	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-59.7	-33.1	-178.3	-26.1	35.2	0	0	0	114.2	Y93	P89-Y93 WeakPolarHBondContact O-CB 3.45Å; P89-Y93 PolarHBondContact O-N 3.33Å
90	N	97	Very high	94.7	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.102	26%	0.258	C	S	.	.	H	α-helix	trans	-74.1	-45.2	-179.1	-67.8	-19.4	0	0	0	110.7	I69 D88 F92 Y93 F94 I223 R227	I69-N90 HydrophobicContact CG2-CB 4.28Å; D88-N90 VanDerWaalsContact C-N 3.27Å; D88-N90 PolarHBondContact O-N 2.98Å; D88-N90 WeakPolarHBondContact OD1-CA 3.46Å; D88-N90 VanDerWaalsContact OD1-CB 3.26Å; D88-N90 WeakPolarHBondContact OD1-CB 3.29Å; D88-N90 PolarHBondContact OD1-N 3.02Å; N90-F92 PolarHBondContact O-N 3.42Å; N90-Y93 WeakPolarHBondContact O-CB 3.48Å; N90-Y93 PolarHBondContact O-N 3.29Å; N90-F94 WeakPolarHBondContact O-CD2 3.23Å; N90-F94 PolarHBondContact O-N 3.28Å; N90-I223 HydrophobicContact CB-CD1 4.35Å; N90-I223 HydrophobicContact CB-CG2 4.17Å; N90-I223 VanDerWaalsContact OD1-CG2 3.31Å; N90-I223 WeakPolarHBondContact OD1-CG2 3.35Å; N90-R227 WeakPolarHBondContact OD1-CD 3.4Å; N90-R227 PolarHBondContact OD1-NH1 3.32Å
91	F	97.5	Very high	94.9	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-47.4	172.9	-176.6	-90.2	0	0	0	111.5	I69 A71 Q87 D88 Y93 F94 T95 L97 L104 L126	I69-F91 HydrophobicContact CG2-CB 4.07Å; I69-F91 HydrophobicContact CG2-CD2 4.46Å; I69-F91 WeakPolarHBondContact O-CD2 3.35Å; A71-F91 HydrophobicContact CB-CD1 3.8Å; A71-F91 HydrophobicContact CB-CD2 3.94Å; A71-F91 HydrophobicContact CB-CE1 3.82Å; A71-F91 HydrophobicContact CB-CE2 3.98Å; A71-F91 HydrophobicContact CB-CG 3.85Å; A71-F91 HydrophobicContact CB-CZ 3.91Å; Q87-F91 VanDerWaalsContact CD-CD1 3.47Å; Q87-F91 HydrophobicContact CG-CD1 3.96Å; Q87-F91 VanDerWaalsContact NE2-CD1 3.31Å; D88-F91 HydrophobicContact CB-CB 4.13Å; D88-F91 PolarHBondContact O-N 3.27Å; D88-F91 PolarHBondContact OD1-N 2.9Å; F91-Y93 VanDerWaalsContact C-N 3.29Å; F91-Y93 PolarHBondContact O-N 3.39Å; F91-F94 PolarHBondContact O-N 2.93Å; F91-T95 HydrophobicContact CD1-CG2 4.45Å; F91-T95 WeakPolarHBondContact CD1-OG1 3.29Å; F91-T95 HydrophobicContact CD2-CG2 4.38Å; F91-T95 HydrophobicContact CE1-CG2 4.17Å; F91-T95 WeakPolarHBondContact CE1-OG1 3.48Å; F91-T95 HydrophobicContact CE2-CG2 4.08Å; F91-T95 HydrophobicContact CZ-CG2 3.98Å; F91-T95 WeakPolarHBondContact O-CB 3.37Å; F91-T95 WeakPolarHBondContact O-CG2 3.44Å; F91-T95 PolarHBondContact O-N 3.46Å; F91-T95 VanDerWaalsContact O-N 3.08Å; F91-T95 PolarHBondContact O-OG1 3.46Å; F91-L97 HydrophobicContact CE1-CB 3.99Å; F91-L104 HydrophobicContact CD2-CB 4.17Å; F91-L104 HydrophobicContact CE2-CB 3.99Å; F91-L126 HydrophobicContact CE2-CD1 4.03Å; F91-L126 HydrophobicContact CZ-CD1 3.88Å
92	F	96.8	Very high	95.1	Very high	33 Å²	33	40.2 Å²	40.2	15%	0.145	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-37.2	177.6	-171.7	-101.7	0	0	0	111.9	Q87 D88 N90 F94 T95 G96 N98 N319	Q87-F92 HydrophobicContact CB-CB 4.35Å; Q87-F92 HydrophobicContact CG-CB 3.77Å; Q87-F92 HydrophobicContact CG-CD2 4.36Å; D88-F92 WeakPolarHBondContact O-CB 3.47Å; D88-F92 PolarHBondContact O-N 3.01Å; N90-F92 PolarHBondContact O-N 3.42Å; F92-F94 VanDerWaalsContact C-N 3.31Å; F92-F94 PolarHBondContact O-N 2.87Å; F92-T95 PolarHBondContact O-N 3.44Å; F92-G96 VanDerWaalsContact CE2-O 3.25Å; F92-G96 WeakPolarHBondContact CE2-O 3.25Å; F92-G96 VanDerWaalsContact O-CA 3.31Å; F92-G96 WeakPolarHBondContact O-CA 3.48Å; F92-G96 PolarHBondContact O-N 2.62Å; F92-N98 HydrophobicContact CE2-CB 4.43Å; F92-N319 WeakPolarHBondContact CE1-O 3.32Å
93	Y	97.9	Very high	95.3	Very high	16 Å²	16	36.9 Å²	36.9	6%	0.063	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-40.3	-179.7	-175.9	-103.3	0	0	0	112.6	R43 P89 N90 F91 I226 R227 E234	R43-Y93 HydrophobicContact CB-CD1 4.31Å; R43-Y93 HydrophobicContact CB-CE1 3.73Å; R43-Y93 WeakPolarHBondContact CD-O 3.39Å; R43-Y93 HydrophobicContact CG-CD1 4.36Å; R43-Y93 HydrophobicContact CG-CE1 3.63Å; R43-Y93 HydrophobicContact CG-CE2 4.28Å; R43-Y93 PolarHBondContact NH1-O 3.32Å; P89-Y93 WeakPolarHBondContact O-CB 3.45Å; P89-Y93 PolarHBondContact O-N 3.33Å; N90-Y93 WeakPolarHBondContact O-CB 3.48Å; N90-Y93 PolarHBondContact O-N 3.29Å; F91-Y93 VanDerWaalsContact C-N 3.29Å; F91-Y93 PolarHBondContact O-N 3.39Å; Y93-I226 HydrophobicContact CD1-CD1 4.4Å; Y93-I226 HydrophobicContact CE1-CD1 3.62Å; Y93-I226 HydrophobicContact CE1-CG1 3.92Å; Y93-R227 HydrophobicContact CD1-CG 4.06Å; Y93-R227 HydrophobicContact CD2-CG 3.86Å; Y93-R227 HydrophobicContact CE1-CG 4Å; Y93-R227 HydrophobicContact CE2-CG 3.79Å; Y93-R227 HydrophobicContact CG-CG 3.98Å; Y93-E234 WeakPolarHBondContact CE2-OE1 3.41Å
94	F	98.1	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-89.6	-21.8	-178	-66.8	-60.3	0	0	0	115	R43 R44 F47 N90 F91 F92 L104 F106 I223 I226	R43-F94 HydrophobicContact CB-CD1 4.19Å; R43-F94 HydrophobicContact CB-CE1 4.38Å; R44-F94 HydrophobicContact CG-CB 4.31Å; R44-F94 HydrophobicContact CG-CD1 3.87Å; R44-F94 HydrophobicContact CG-CG 4.49Å; R44-F94 PolarHBondContact NH1-O 3.1Å; F47-F94 HydrophobicContact CB-CE1 3.66Å; F47-F94 HydrophobicContact CB-CZ 3.85Å; F47-F94 HydrophobicContact CD1-CE1 4.28Å; F47-F94 AromaticContact CD1-CZ 3.98Å; F47-F94 HydrophobicContact CD1-CZ 3.98Å; F47-F94 AromaticContact CD2-CZ 3.87Å; F47-F94 HydrophobicContact CD2-CZ 3.87Å; F47-F94 HydrophobicContact CE2-CZ 4.46Å; F47-F94 AromaticContact CG-CE1 3.91Å; F47-F94 HydrophobicContact CG-CE1 3.91Å; F47-F94 AromaticContact CG-CZ 3.6Å; F47-F94 HydrophobicContact CG-CZ 3.6Å; N90-F94 WeakPolarHBondContact O-CD2 3.23Å; N90-F94 PolarHBondContact O-N 3.28Å; F91-F94 PolarHBondContact O-N 2.93Å; F92-F94 VanDerWaalsContact C-N 3.31Å; F92-F94 PolarHBondContact O-N 2.87Å; F94-L104 HydrophobicContact CB-CD2 3.46Å; F94-L104 VanDerWaalsContact CB-CD2 3.46Å; F94-L104 HydrophobicContact CD2-CD2 4.48Å; F94-L104 HydrophobicContact CG-CD2 4.22Å; F94-F106 HydrophobicContact CB-CZ 4.5Å; F94-F106 HydrophobicContact CD1-CZ 4.16Å; F94-F106 HydrophobicContact CD2-CZ 4.5Å; F94-F106 HydrophobicContact CG-CZ 4.15Å; F94-I223 HydrophobicContact CE2-CD1 4.15Å; F94-I223 HydrophobicContact CE2-CG1 3.99Å; F94-I223 HydrophobicContact CE2-CG2 3.91Å; F94-I223 HydrophobicContact CZ-CG1 4.13Å; F94-I223 HydrophobicContact CZ-CG2 4.07Å; F94-I226 HydrophobicContact CE1-CD1 3.73Å; F94-I226 HydrophobicContact CZ-CD1 3.72Å
95	T	97.2	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-114.4	-28.4	-174.2	65.5	0	0	0	0	113.7	L40 F91 F92 L97 L104 L126 T152	L40-T95 WeakPolarHBondContact CD1-O 3.15Å; F91-T95 HydrophobicContact CD1-CG2 4.45Å; F91-T95 WeakPolarHBondContact CD1-OG1 3.29Å; F91-T95 HydrophobicContact CD2-CG2 4.38Å; F91-T95 HydrophobicContact CE1-CG2 4.17Å; F91-T95 WeakPolarHBondContact CE1-OG1 3.48Å; F91-T95 HydrophobicContact CE2-CG2 4.08Å; F91-T95 HydrophobicContact CZ-CG2 3.98Å; F91-T95 WeakPolarHBondContact O-CB 3.37Å; F91-T95 WeakPolarHBondContact O-CG2 3.44Å; F91-T95 PolarHBondContact O-N 3.46Å; F91-T95 VanDerWaalsContact O-N 3.08Å; F91-T95 PolarHBondContact O-OG1 3.46Å; F92-T95 PolarHBondContact O-N 3.44Å; T95-L97 PolarHBondContact O-N 3.5Å; T95-L97 PolarHBondContact OG1-N 2.81Å; T95-L97 VanDerWaalsContact OG1-N 3.08Å; T95-L104 HydrophobicContact CG2-CB 4.19Å; T95-L104 HydrophobicContact CG2-CD1 4.49Å; T95-L104 HydrophobicContact CG2-CD2 3.85Å; T95-L104 HydrophobicContact CG2-CG 4.41Å; T95-L126 HydrophobicContact CG2-CD1 4.15Å; T95-T152 WeakPolarHBondContact O-CG2 3.34Å
96	G	95.5	Very high	96	Very high	21 Å²	21	22.8 Å²	22.8	22%	0.216	12%	0.123	C	C	.	.			trans	65.7	6.7	-166.5	0	0	0	0	0	114.3	F92	F92-G96 VanDerWaalsContact CE2-O 3.25Å; F92-G96 WeakPolarHBondContact CE2-O 3.25Å; F92-G96 VanDerWaalsContact O-CA 3.31Å; F92-G96 WeakPolarHBondContact O-CA 3.48Å; F92-G96 PolarHBondContact O-N 2.62Å
97	L	94.5	Very high	96.1	Very high	14 Å²	14	18.4 Å²	18.4	7%	0.073	10%	0.103	C	C	.	.			trans	-89.8	130.9	-175.7	-68.9	-175.3	0	0	0	112.5	Q87 F91 T95 L126 L143 A151 T152	Q87-L97 WeakPolarHBondContact CG-O 3.3Å; Q87-L97 PolarHBondContact NE2-O 3.13Å; F91-L97 HydrophobicContact CE1-CB 3.99Å; T95-L97 PolarHBondContact O-N 3.5Å; T95-L97 PolarHBondContact OG1-N 2.81Å; T95-L97 VanDerWaalsContact OG1-N 3.08Å; L97-L126 HydrophobicContact CD1-CD2 3.67Å; L97-L143 HydrophobicContact CD1-CD1 4.33Å; L97-L143 HydrophobicContact CD2-CD1 3.56Å; L97-A151 HydrophobicContact CD2-CB 4.25Å; L97-T152 HydrophobicContact CD1-CG2 3.43Å; L97-T152 VanDerWaalsContact CD1-CG2 3.43Å; L97-T152 HydrophobicContact CD2-CG2 3.75Å; L97-T152 HydrophobicContact CG-CG2 3.37Å
98	N	92.7	Very high	96.1	Very high	76 Å²	76	18.2 Å²	18.2	41%	0.406	10%	0.103	S	C	.	.			trans	-108.2	44.6	176.2	-163.5	46.3	0	0	0	112	F85 Q87 F92	F85-N98 WeakPolarHBondContact CE1-OD1 3.46Å; Q87-N98 WeakPolarHBondContact CB-OD1 3.48Å; F92-N98 HydrophobicContact CE2-CB 4.43Å
99	E	91.7	Very high	95.6	Very high	59 Å²	59	20.5 Å²	20.5	28%	0.276	12%	0.115	S	C	.	.			trans	-108.9	144.2	174.3	-71	-69.2	155.6	0	0	110.6	Q87 R131 L143	Q87-E99 PolarHBondContact NE2-O 2.92Å; E99-R131 IonicContact OE2-CZ 3.91Å; E99-R131 IonicContact OE2-NH1 3.21Å; E99-R131 PolarHBondContact OE2-NH1 3.32Å; E99-R131 IonicContact OE2-NH2 3.47Å; E99-R131 PolarHBondContact OE2-NH2 3.01Å; E99-L143 HydrophobicContact CG-CD1 4.28Å
100	P	93.8	Very high	94.6	Very high	11 Å²	11	21.6 Å²	21.6	7%	0.071	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	166	178	32.3	-36.2	0	0	0	112.1	S72 I74 F85 G102	S72-P100 WeakPolarHBondContact O-CA 3.45Å; I74-P100 HydrophobicContact CD1-CB 4.35Å; I74-P100 HydrophobicContact CD1-CG 4.08Å; I74-P100 HydrophobicContact CG1-CB 3.73Å; I74-P100 HydrophobicContact CG1-CG 3.99Å; F85-P100 HydrophobicContact CD2-CB 4.18Å; F85-P100 HydrophobicContact CE2-CB 3.64Å; F85-P100 HydrophobicContact CZ-CB 4.02Å; P100-G102 PolarHBondContact O-N 3.09Å
101	N	94.3	Very high	93.2	Very high	39 Å²	39	23.2 Å²	23.2	21%	0.209	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	2.6	166.3	-52.5	-39.6	0	0	0	116.8	S72 E129 L160	S72-N101 PolarHBondContact O-N 2.75Å; N101-E129 PolarHBondContact ND2-OE2 3.16Å; N101-L160 HydrophobicContact CB-CD2 3.77Å; N101-L160 VanDerWaalsContact O-CD1 3.32Å; N101-L160 WeakPolarHBondContact O-CD1 3.45Å; N101-L160 VanDerWaalsContact O-CD2 3.31Å; N101-L160 WeakPolarHBondContact O-CD2 3.33Å
102	G	95.8	Very high	91.3	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.031	17%	0.166	C	C	.	.			trans	-65.1	160	174	0	0	0	0	0	113.8	A71 P100 F127	A71-G102 WeakPolarHBondContact CB-O 3.41Å; A71-G102 PolarHBondContact N-O 2.91Å; P100-G102 PolarHBondContact O-N 3.09Å; G102-F127 CarbonylContact C-O 3.56Å; G102-F127 WeakPolarHBondContact CA-O 3.47Å
103	I	98.3	Very high	89.4	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	120.7	175.1	-44.9	169.3	0	0	0	108.2	V68 L105 L126 F127 L160 F163 F197 V198	V68-I103 HydrophobicContact CG1-CG2 4.15Å; I103-L105 HydrophobicContact CG2-CD2 3.86Å; I103-L105 HydrophobicContact CG2-CG 4.47Å; I103-L126 CarbonylContact O-C 3.55Å; I103-L126 WeakPolarHBondContact O-CA 3.49Å; I103-F127 HydrophobicContact CB-CB 4.1Å; I103-F127 HydrophobicContact CB-CD2 4.38Å; I103-F127 HydrophobicContact CD1-CB 4.47Å; I103-F127 HydrophobicContact CG1-CB 4.43Å; I103-F127 PolarHBondContact N-O 2.99Å; I103-F127 PolarHBondContact O-N 2.84Å; I103-L160 HydrophobicContact CD1-CD1 3.55Å; I103-L160 HydrophobicContact CG1-CD1 3.88Å; I103-F163 HydrophobicContact CD1-CB 4.17Å; I103-F163 HydrophobicContact CD1-CD1 3.36Å; I103-F163 HydrophobicContact CD1-CD2 3.71Å; I103-F163 HydrophobicContact CD1-CE1 3.49Å; I103-F163 VanDerWaalsContact CD1-CE1 3.49Å; I103-F163 HydrophobicContact CD1-CE2 3.84Å; I103-F163 HydrophobicContact CD1-CG 3.47Å; I103-F163 VanDerWaalsContact CD1-CG 3.47Å; I103-F163 HydrophobicContact CD1-CZ 3.72Å; I103-F163 HydrophobicContact CG2-CE2 4.03Å; I103-F163 HydrophobicContact CG2-CZ 4.17Å; I103-F197 HydrophobicContact CD1-CE1 4.31Å; I103-V198 HydrophobicContact CD1-CG2 3.57Å; I103-V198 HydrophobicContact CG1-CG2 3.64Å
104	L	98.5	Very high	87.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.6	170.1	175.4	67.5	0	0	0	108.4	I69 F91 F94 T95 F106 L126 V154	I69-L104 HydrophobicContact CB-CB 4.3Å; I69-L104 PolarHBondContact N-O 2.84Å; I69-L104 PolarHBondContact O-N 2.96Å; F91-L104 HydrophobicContact CD2-CB 4.17Å; F91-L104 HydrophobicContact CE2-CB 3.99Å; F94-L104 HydrophobicContact CB-CD2 3.46Å; F94-L104 VanDerWaalsContact CB-CD2 3.46Å; F94-L104 HydrophobicContact CD2-CD2 4.48Å; F94-L104 HydrophobicContact CG-CD2 4.22Å; T95-L104 HydrophobicContact CG2-CB 4.19Å; T95-L104 HydrophobicContact CG2-CD1 4.49Å; T95-L104 HydrophobicContact CG2-CD2 3.85Å; T95-L104 HydrophobicContact CG2-CG 4.41Å; L104-F106 HydrophobicContact CD2-CE2 3.56Å; L104-F106 HydrophobicContact CD2-CZ 3.76Å; L104-F106 HydrophobicContact CG-CD2 4.44Å; L104-F106 HydrophobicContact CG-CE2 3.93Å; L104-F106 HydrophobicContact CG-CZ 4.42Å; L104-L126 HydrophobicContact CB-CD1 4.32Å; L104-V154 HydrophobicContact CD1-CG1 4.03Å
105	L	98.5	Very high	86	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.4	169	-53.1	-175.7	0	0	0	110.8	I66 V67 V68 I103 T124 H125 F127 F163 F166	I66-L105 HydrophobicContact CG2-CD1 4.44Å; I66-L105 HydrophobicContact CG2-CD2 4.31Å; V67-L105 VanDerWaalsContact O-CA 3.24Å; V67-L105 WeakPolarHBondContact O-CA 3.42Å; V68-L105 HydrophobicContact CB-CD2 4.13Å; V68-L105 HydrophobicContact CG1-CD2 4.02Å; V68-L105 HydrophobicContact CG2-CD2 3.87Å; I103-L105 HydrophobicContact CG2-CD2 3.86Å; I103-L105 HydrophobicContact CG2-CG 4.47Å; L105-T124 VanDerWaalsContact O-CA 3.3Å; L105-T124 WeakPolarHBondContact O-CA 3.45Å; L105-H125 HydrophobicContact CB-CB 4.21Å; L105-H125 PolarHBondContact N-O 2.85Å; L105-H125 PolarHBondContact O-N 3.16Å; L105-F127 HydrophobicContact CD1-CD2 4.44Å; L105-F127 HydrophobicContact CD1-CE2 3.66Å; L105-F127 HydrophobicContact CD1-CZ 4.47Å; L105-F127 HydrophobicContact CG-CD2 4.39Å; L105-F127 HydrophobicContact CG-CE2 4.03Å; L105-F163 HydrophobicContact CD1-CE2 4.04Å; L105-F163 HydrophobicContact CD2-CE2 4.16Å; L105-F163 HydrophobicContact CG-CE2 4.41Å; L105-F166 HydrophobicContact CD1-CD1 3.9Å; L105-F166 HydrophobicContact CD1-CE1 3.5Å; L105-F166 HydrophobicContact CD1-CZ 4.3Å
106	F	98.2	Very high	84.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.4	157.8	-57.1	-104.1	0	0	0	107	R44 F47 V48 I66 V67 I69 F94 L104 W122 S123 T124	R44-F106 HydrophobicContact CB-CE1 3.83Å; R44-F106 HydrophobicContact CB-CZ 4.34Å; R44-F106 HydrophobicContact CG-CE1 3.74Å; R44-F106 HydrophobicContact CG-CZ 3.81Å; F47-F106 HydrophobicContact CD1-CD1 4.39Å; F47-F106 HydrophobicContact CD1-CD2 4.31Å; F47-F106 HydrophobicContact CD1-CE1 4.09Å; F47-F106 HydrophobicContact CD1-CE2 4.01Å; F47-F106 HydrophobicContact CD1-CG 4.49Å; F47-F106 AromaticContact CD1-CZ 3.88Å; F47-F106 HydrophobicContact CD1-CZ 3.88Å; F47-F106 AromaticContact CE1-CD2 3.95Å; F47-F106 HydrophobicContact CE1-CD2 3.95Å; F47-F106 AromaticContact CE1-CE2 3.94Å; F47-F106 HydrophobicContact CE1-CE2 3.94Å; F47-F106 HydrophobicContact CE1-CG 4.33Å; F47-F106 HydrophobicContact CE1-CZ 4.29Å; V48-F106 HydrophobicContact CG1-CD1 3.55Å; V48-F106 HydrophobicContact CG1-CE1 4.06Å; V48-F106 HydrophobicContact CG1-CG 4.36Å; I66-F106 CarbonylContact C-O 3.59Å; I66-F106 WeakPolarHBondContact CA-O 3.28Å; V67-F106 HydrophobicContact CB-CB 4.02Å; V67-F106 HydrophobicContact CB-CD2 4.05Å; V67-F106 HydrophobicContact CB-CG 4.45Å; V67-F106 HydrophobicContact CG1-CD2 4.29Å; V67-F106 HydrophobicContact CG2-CB 4.2Å; V67-F106 PolarHBondContact N-O 2.88Å; V67-F106 PolarHBondContact O-N 3.36Å; V67-F106 VanDerWaalsContact O-N 3.08Å; I69-F106 HydrophobicContact CG1-CE2 4.2Å; F94-F106 HydrophobicContact CB-CZ 4.5Å; F94-F106 HydrophobicContact CD1-CZ 4.16Å; F94-F106 HydrophobicContact CD2-CZ 4.5Å; F94-F106 HydrophobicContact CG-CZ 4.15Å; L104-F106 HydrophobicContact CD2-CE2 3.56Å; L104-F106 HydrophobicContact CD2-CZ 3.76Å; L104-F106 HydrophobicContact CG-CD2 4.44Å; L104-F106 HydrophobicContact CG-CE2 3.93Å; L104-F106 HydrophobicContact CG-CZ 4.42Å; F106-W122 HydrophobicContact CB-CE3 3.65Å; F106-W122 HydrophobicContact CB-CZ3 3.79Å; F106-S123 WeakPolarHBondContact CA-O 3.12Å; F106-T124 HydrophobicContact CD1-CG2 3.64Å; F106-T124 HydrophobicContact CE1-CG2 3.79Å; F106-T124 HydrophobicContact CG-CG2 4.41Å
107	C	96	Very high	82.7	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.8	-179.9	-65.2	0	0	0	0	109.2	H65 W122 S123	H65-C107 WeakPolarHBondContact O-CA 3.4Å; C107-W122 CarbonylContact O-C 3.48Å; C107-W122 WeakPolarHBondContact O-CA 3.37Å; C107-S123 PolarHBondContact N-O 3.42Å; C107-S123 PolarHBondContact O-N 3.14Å; C107-S123 PolarHBondContact O-OG 2.95Å
108	T	93.8	Very high	81.5	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	164.9	169.6	60.4	0	0	0	0	110.3	Y64 H65 L120 N121 W122	Y64-T108 WeakPolarHBondContact CD2-OG1 3.18Å; Y64-T108 WeakPolarHBondContact CE2-O 3.27Å; H65-T108 HydrophobicContact CB-CG2 3.91Å; H65-T108 PolarHBondContact N-OG1 2.77Å; H65-T108 PolarHBondContact O-N 2.84Å; H65-T108 VanDerWaalsContact O-N 3.09Å; T108-L120 HydrophobicContact CG2-CB 3.7Å; T108-L120 HydrophobicContact CG2-CD1 3.81Å; T108-L120 HydrophobicContact CG2-CG 4.27Å; T108-N121 CarbonylContact C-O 3.6Å; T108-N121 WeakPolarHBondContact CA-O 3.45Å; T108-W122 HydrophobicContact CG2-CD2 3.6Å; T108-W122 VanDerWaalsContact CG2-CE2 3.45Å; T108-W122 HydrophobicContact CG2-CE3 3.72Å; T108-W122 HydrophobicContact CG2-CG 4.32Å; T108-W122 HydrophobicContact CG2-CH2 3.64Å; T108-W122 HydrophobicContact CG2-CZ2 3.48Å; T108-W122 VanDerWaalsContact CG2-CZ2 3.48Å; T108-W122 HydrophobicContact CG2-CZ3 3.75Å
109	D	86.3	Confident	80.6	Confident	73 Å²	73	60 Å²	60	39%	0.39	30%	0.303	S	S	.	.			trans	-64.3	152.6	162.6	-72.9	-24.9	0	0	0	110.4	T111 N121	D109-T111 HydrophobicContact CB-CG2 4.28Å; D109-T111 PolarHBondContact O-N 2.99Å; D109-N121 PolarHBondContact N-O 2.89Å; D109-N121 WeakPolarHBondContact OD2-CB 3.38Å; D109-N121 PolarHBondContact OD2-ND2 3.42Å
110	K	75.3	Confident	80.1	Confident	81 Å²	81	58 Å²	58	35%	0.352	29%	0.293	S	S	.	.			trans	-81.5	97	171.1	-66.3	-179.6	-175	177.3	0	107.8	Y64	Y64-K110 HydrophobicContact CD2-CG 3.75Å; Y64-K110 HydrophobicContact CE2-CG 3.78Å; Y64-K110 HydrophobicContact CG-CG 4.31Å
111	T	66.5	Low	79.9	Confident	54 Å²	54	62.3 Å²	62.3	33%	0.331	32%	0.316	S	S	.	.			trans	-103.4	130.4	176.2	64.7	0	0	0	0	110.8	D109 E113 Q175	D109-T111 HydrophobicContact CB-CG2 4.28Å; D109-T111 PolarHBondContact O-N 2.99Å; T111-E113 VanDerWaalsContact C-N 3.33Å; T111-Q175 PolarHBondContact O-NE2 2.9Å
112	E	58.2	Low	80	Confident	188 Å²	188	62 Å²	62	88%	0.879	31%	0.312	S	S	*	.	S	Bend	trans	-71.3	-31	178.7	-67.3	-169.6	164.9	0	0	112.1
113	E	57.6	Low	80	Confident	177 Å²	177	63.1 Å²	63.1	83%	0.827	32%	0.319	S	S	*	.			trans	-121.1	127.9	177.3	-68.8	-177.3	164.3	0	0	109.8	T111	T111-E113 VanDerWaalsContact C-N 3.33Å
114	R	59.6	Low	80	Confident	43 Å²	43	63.5 Å²	63.5	16%	0.162	32%	0.322	C	S	.	.			trans	-102.4	108.4	172.1	-168.5	-171.6	-169.3	-153.5	11.5	107.2	A55 D116	A55-R114 PolarHBondContact O-NH1 3.09Å; A55-R114 PolarHBondContact O-NH2 3.1Å; R114-D116 PolarHBondContact O-N 2.76Å
115	D	63.3	Low	79.9	Confident	107 Å²	107	64.6 Å²	64.6	57%	0.572	33%	0.327	S	S	*	.			trans	-71.8	124.5	161.6	-171.4	-5.9	0	0	0	107.5	Q117 S118	D115-Q117 PolarHBondContact O-N 2.97Å; D115-S118 PolarHBondContact O-N 3.29Å; D115-S118 PolarHBondContact O-OG 3.27Å
116	D	61.3	Low	79.9	Confident	89 Å²	89	64.6 Å²	64.6	48%	0.476	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-20.1	-171.9	-91.7	-18.1	0	0	0	113.2	K61 R114	K61-D116 IonicContact NZ-OD1 2.74Å; K61-D116 PolarHBondContact NZ-OD1 2.85Å; K61-D116 IonicContact NZ-OD2 2.86Å; K61-D116 PolarHBondContact NZ-OD2 2.84Å; R114-D116 PolarHBondContact O-N 2.76Å
117	Q	62.5	Low	79.9	Confident	167 Å²	167	64.6 Å²	64.6	78%	0.78	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-22.9	-179.3	-66.5	179.3	10.9	0	0	113.8	K56 D115	K56-Q117 PolarHBondContact NZ-O 2.99Å; D115-Q117 PolarHBondContact O-N 2.97Å
118	S	68.7	Low	79.9	Confident	54 Å²	54	65 Å²	65	38%	0.378	33%	0.329	S	S	.	.	S	Bend	trans	-70.9	141.6	-175.3	64.4	0	0	0	0	112.7	K56 D115	K56-S118 VanDerWaalsContact CE-O 3.25Å; K56-S118 WeakPolarHBondContact CE-O 3.43Å; D115-S118 PolarHBondContact O-N 3.29Å; D115-S118 PolarHBondContact O-OG 3.27Å
119	D	75.3	Confident	79.8	Confident	109 Å²	109	67.7 Å²	67.7	58%	0.583	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-77.5	142	170.6	-73.6	-28.8	0	0	0	109.9	K56	K56-D119 IonicContact NZ-OD1 2.78Å; K56-D119 PolarHBondContact NZ-OD1 3.44Å
120	L	81.4	Confident	80	Confident	16 Å²	16	67.5 Å²	67.5	8%	0.084	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-71.9	136.8	175.5	-58	167	0	0	0	108.4	N52 A55 T108	N52-L120 WeakPolarHBondContact OD1-CB 3.41Å; A55-L120 HydrophobicContact CB-CD1 4.4Å; T108-L120 HydrophobicContact CG2-CB 3.7Å; T108-L120 HydrophobicContact CG2-CD1 3.81Å; T108-L120 HydrophobicContact CG2-CG 4.27Å
121	N	89.7	Confident	80.5	Confident	102 Å²	102	65.3 Å²	65.3	55%	0.545	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-79.4	129.1	171	-171.4	29	0	0	0	109.1	T108 D109	T108-N121 CarbonylContact C-O 3.6Å; T108-N121 WeakPolarHBondContact CA-O 3.45Å; D109-N121 PolarHBondContact N-O 2.89Å; D109-N121 WeakPolarHBondContact OD2-CB 3.38Å; D109-N121 PolarHBondContact OD2-ND2 3.42Å
122	W	94.6	Very high	81.5	Confident	34 Å²	34	67.6 Å²	67.6	13%	0.129	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.2	-175.4	-69	84.4	0	0	0	111.2	V48 V51 N52 H65 V67 F106 C107 T108	V48-W122 HydrophobicContact CB-CB 4.42Å; V48-W122 HydrophobicContact CB-CD2 4.04Å; V48-W122 HydrophobicContact CB-CG 3.85Å; V48-W122 HydrophobicContact CG1-CB 4.1Å; V48-W122 HydrophobicContact CG1-CD2 3.87Å; V48-W122 HydrophobicContact CG1-CE3 4.21Å; V48-W122 HydrophobicContact CG1-CG 3.84Å; V48-W122 HydrophobicContact CG2-CG 4.44Å; V51-W122 HydrophobicContact CB-CH2 4.27Å; V51-W122 HydrophobicContact CB-CZ2 4.08Å; V51-W122 HydrophobicContact CG1-CH2 3.52Å; V51-W122 HydrophobicContact CG1-CZ2 3.6Å; N52-W122 VanDerWaalsContact CG-NE1 3.35Å; N52-W122 PolarHBondContact ND2-NE1 3.13Å; N52-W122 PolarHBondContact OD1-NE1 2.82Å; H65-W122 HydrophobicContact CB-CH2 3.69Å; H65-W122 HydrophobicContact CB-CZ2 4.42Å; H65-W122 HydrophobicContact CB-CZ3 4.25Å; V67-W122 HydrophobicContact CG2-CH2 4.14Å; V67-W122 HydrophobicContact CG2-CZ3 3.98Å; F106-W122 HydrophobicContact CB-CE3 3.65Å; F106-W122 HydrophobicContact CB-CZ3 3.79Å; C107-W122 CarbonylContact O-C 3.48Å; C107-W122 WeakPolarHBondContact O-CA 3.37Å; T108-W122 HydrophobicContact CG2-CD2 3.6Å; T108-W122 VanDerWaalsContact CG2-CE2 3.45Å; T108-W122 HydrophobicContact CG2-CE3 3.72Å; T108-W122 HydrophobicContact CG2-CG 4.32Å; T108-W122 HydrophobicContact CG2-CH2 3.64Å; T108-W122 HydrophobicContact CG2-CZ2 3.48Å; T108-W122 VanDerWaalsContact CG2-CZ2 3.48Å; T108-W122 HydrophobicContact CG2-CZ3 3.75Å
123	S	96	Very high	82.8	Confident	25 Å²	25	67.1 Å²	67.1	18%	0.175	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.9	169.1	60.4	0	0	0	0	110.6	F106 C107 H125	F106-S123 WeakPolarHBondContact CA-O 3.12Å; C107-S123 PolarHBondContact N-O 3.42Å; C107-S123 PolarHBondContact O-N 3.14Å; C107-S123 PolarHBondContact O-OG 2.95Å; S123-H125 PolarHBondContact OG-NE2 2.83Å
124	T	98	Very high	84.3	Confident	9 Å²	9	64.8 Å²	64.8	6%	0.055	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.8	-179.5	55.9	0	0	0	0	111.1	L105 F106 V154 D155 N156	L105-T124 VanDerWaalsContact O-CA 3.3Å; L105-T124 WeakPolarHBondContact O-CA 3.45Å; F106-T124 HydrophobicContact CD1-CG2 3.64Å; F106-T124 HydrophobicContact CE1-CG2 3.79Å; F106-T124 HydrophobicContact CG-CG2 4.41Å; T124-V154 WeakPolarHBondContact OG1-CA 3.37Å; T124-D155 WeakPolarHBondContact CB-OD2 3.41Å; T124-D155 PolarHBondContact N-OD2 3.37Å; T124-D155 PolarHBondContact OG1-N 3.36Å; T124-D155 PolarHBondContact OG1-OD2 3.42Å; T124-N156 PolarHBondContact O-N 2.93Å; T124-N156 PolarHBondContact O-ND2 2.86Å
125	H	98.2	Very high	85.5	Confident	22 Å²	22	63.9 Å²	63.9	10%	0.102	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120	177.4	-64.6	-110.1	0	0	0	109.2	L105 S123 F127 N156 H158 F166	L105-H125 HydrophobicContact CB-CB 4.21Å; L105-H125 PolarHBondContact N-O 2.85Å; L105-H125 PolarHBondContact O-N 3.16Å; S123-H125 PolarHBondContact OG-NE2 2.83Å; H125-F127 HydrophobicContact CB-CE2 3.93Å; H125-N156 CarbonylContact C-O 3.58Å; H125-N156 WeakPolarHBondContact CA-O 3.1Å; H125-H158 AromaticContact CE1-NE2 4Å; H125-H158 AromaticContact CG-NE2 3.9Å; H125-H158 AromaticContact ND1-CD2 3.85Å; H125-H158 AromaticContact ND1-CE1 3.91Å; H125-H158 AromaticContact ND1-NE2 3.05Å; H125-H158 PolarHBondContact ND1-NE2 3.03Å; H125-F166 AromaticContact CE1-CE2 3.7Å; H125-F166 AromaticContact ND1-CE2 3.5Å; H125-F166 AromaticContact ND1-CZ 3.9Å
126	L	98.2	Very high	86.8	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.9	177.6	-177.8	68.9	0	0	0	110	F91 T95 L97 I103 L104 V128 A148 T152 V154 N156 S157 H158	F91-L126 HydrophobicContact CE2-CD1 4.03Å; F91-L126 HydrophobicContact CZ-CD1 3.88Å; T95-L126 HydrophobicContact CG2-CD1 4.15Å; L97-L126 HydrophobicContact CD1-CD2 3.67Å; I103-L126 CarbonylContact O-C 3.55Å; I103-L126 WeakPolarHBondContact O-CA 3.49Å; L104-L126 HydrophobicContact CB-CD1 4.32Å; L126-V128 HydrophobicContact CD1-CG1 4.41Å; L126-V128 HydrophobicContact CD2-CG1 3.88Å; L126-V128 HydrophobicContact CG-CG1 3.81Å; L126-A148 HydrophobicContact CD2-CB 4.13Å; L126-T152 HydrophobicContact CD2-CG2 3.99Å; L126-V154 HydrophobicContact CB-CB 4.37Å; L126-V154 HydrophobicContact CB-CG1 4.3Å; L126-V154 HydrophobicContact CB-CG2 3.74Å; L126-V154 HydrophobicContact CD2-CG2 4.17Å; L126-N156 PolarHBondContact N-O 3.18Å; L126-S157 CarbonylContact O-C 3.55Å; L126-S157 VanDerWaalsContact O-CA 3.28Å; L126-S157 WeakPolarHBondContact O-CA 3.27Å; L126-H158 PolarHBondContact O-N 3.3Å
127	F	98.2	Very high	88.2	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.2	171.9	-63.5	-95.8	0	0	0	108.7	G102 I103 L105 H125 H158 L160 F163 F166	G102-F127 CarbonylContact C-O 3.56Å; G102-F127 WeakPolarHBondContact CA-O 3.47Å; I103-F127 HydrophobicContact CB-CB 4.1Å; I103-F127 HydrophobicContact CB-CD2 4.38Å; I103-F127 HydrophobicContact CD1-CB 4.47Å; I103-F127 HydrophobicContact CG1-CB 4.43Å; I103-F127 PolarHBondContact N-O 2.99Å; I103-F127 PolarHBondContact O-N 2.84Å; L105-F127 HydrophobicContact CD1-CD2 4.44Å; L105-F127 HydrophobicContact CD1-CE2 3.66Å; L105-F127 HydrophobicContact CD1-CZ 4.47Å; L105-F127 HydrophobicContact CG-CD2 4.39Å; L105-F127 HydrophobicContact CG-CE2 4.03Å; H125-F127 HydrophobicContact CB-CE2 3.93Å; F127-H158 VanDerWaalsContact CA-O 3.3Å; F127-H158 WeakPolarHBondContact CA-O 3.39Å; F127-H158 HydrophobicContact CD1-CB 3.52Å; F127-H158 HydrophobicContact CE1-CB 3.49Å; F127-H158 VanDerWaalsContact CE1-CB 3.49Å; F127-H158 AromaticContact CE1-CG 3.84Å; F127-H158 HydrophobicContact CG-CB 4.23Å; F127-H158 HydrophobicContact CZ-CB 4.18Å; F127-H158 AromaticContact CZ-CD2 3.98Å; F127-L160 HydrophobicContact CB-CD1 4.13Å; F127-F163 HydrophobicContact CD1-CB 3.77Å; F127-F163 HydrophobicContact CD1-CD2 4.13Å; F127-F163 HydrophobicContact CD1-CG 4.44Å; F127-F163 AromaticContact CD2-CD2 3.85Å; F127-F163 HydrophobicContact CD2-CD2 3.85Å; F127-F163 HydrophobicContact CD2-CE2 4.46Å; F127-F163 HydrophobicContact CE1-CB 4.12Å; F127-F163 HydrophobicContact CE1-CD2 4.17Å; F127-F163 AromaticContact CE2-CD2 3.9Å; F127-F163 HydrophobicContact CE2-CD2 3.9Å; F127-F163 HydrophobicContact CE2-CE2 4.45Å; F127-F163 HydrophobicContact CG-CB 4.2Å; F127-F163 AromaticContact CG-CD2 3.99Å; F127-F163 HydrophobicContact CG-CD2 3.99Å; F127-F163 HydrophobicContact CZ-CD2 4.07Å; F127-F166 HydrophobicContact CE1-CB 4Å; F127-F166 HydrophobicContact CE1-CG 4.35Å; F127-F166 HydrophobicContact CE2-CD1 4.47Å; F127-F166 HydrophobicContact CE2-CG 4.48Å; F127-F166 HydrophobicContact CZ-CB 3.72Å; F127-F166 AromaticContact CZ-CD1 3.97Å; F127-F166 HydrophobicContact CZ-CD1 3.97Å; F127-F166 AromaticContact CZ-CD2 3.89Å; F127-F166 HydrophobicContact CZ-CD2 3.89Å; F127-F166 AromaticContact CZ-CG 3.58Å; F127-F166 HydrophobicContact CZ-CG 3.58Å
128	V	95.7	Very high	89.3	Confident	11 Å²	11	65.4 Å²	65.4	7%	0.067	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.9	179.2	-63.6	0	0	0	0	111.4	L126 T130 L145 A148 H158 P159 L160	L126-V128 HydrophobicContact CD1-CG1 4.41Å; L126-V128 HydrophobicContact CD2-CG1 3.88Å; L126-V128 HydrophobicContact CG-CG1 3.81Å; V128-T130 PolarHBondContact O-N 3.08Å; V128-L145 HydrophobicContact CG2-CD2 3.62Å; V128-A148 HydrophobicContact CG1-CB 4.15Å; V128-A148 HydrophobicContact CG2-CB 4.21Å; V128-H158 PolarHBondContact N-O 2.86Å; V128-P159 CarbonylContact O-C 3.58Å; V128-L160 WeakPolarHBondContact O-CB 3.41Å; V128-L160 PolarHBondContact O-N 2.88Å
129	E	92.3	Very high	90	Very high	60 Å²	60	67.7 Å²	67.7	28%	0.28	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-67.3	121.7	174.5	-169.5	-178.8	164.5	0	0	110	N101 R131 L160	N101-E129 PolarHBondContact ND2-OE2 3.16Å; E129-R131 IonicContact OE1-NE 2.71Å; E129-R131 IonicContact OE2-NH2 3.86Å; E129-L160 HydrophobicContact CB-CD2 4.35Å
130	T	88.8	Confident	90.6	Very high	69 Å²	69	63.7 Å²	63.7	42%	0.423	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-97.8	116.3	173.6	55.6	0	0	0	0	109.2	V128 L145 P159	V128-T130 PolarHBondContact O-N 3.08Å; T130-L145 HydrophobicContact CG2-CD2 3.93Å; T130-L145 HydrophobicContact CG2-CG 4.42Å; T130-P159 HydrophobicContact CG2-CB 4.15Å
131	R	86.1	Confident	90.8	Very high	35 Å²	35	66.5 Å²	66.5	13%	0.132	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-91.8	146.1	179.8	-63.2	178.8	-168.6	122.3	13.2	111	E99 E129 A135 E136 G140 P141 S142	E99-R131 IonicContact OE2-CZ 3.91Å; E99-R131 IonicContact OE2-NH1 3.21Å; E99-R131 PolarHBondContact OE2-NH1 3.32Å; E99-R131 IonicContact OE2-NH2 3.47Å; E99-R131 PolarHBondContact OE2-NH2 3.01Å; E129-R131 IonicContact OE1-NE 2.71Å; E129-R131 IonicContact OE2-NH2 3.86Å; R131-A135 HydrophobicContact CB-CB 4.02Å; R131-A135 HydrophobicContact CG-CB 4.3Å; R131-E136 HydrophobicContact CB-CG 3.84Å; R131-G140 PolarHBondContact NH1-O 2.95Å; R131-P141 PolarHBondContact NH1-O 3.39Å; R131-P141 VanDerWaalsContact NH1-O 3.07Å; R131-S142 WeakPolarHBondContact CB-OG 3.22Å; R131-S142 PolarHBondContact N-OG 3.17Å
132	N	87.2	Confident	90.7	Very high	103 Å²	103	62.3 Å²	62.3	55%	0.551	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-86.7	165.6	165.4	67.9	32.2	0	0	0	109.8	H134 A135 E136	N132-H134 PolarHBondContact O-N 3.35Å; N132-H134 WeakPolarHBondContact OD1-CA 3.41Å; N132-H134 WeakPolarHBondContact OD1-CB 3.44Å; N132-H134 PolarHBondContact OD1-N 2.89Å; N132-H134 VanDerWaalsContact OD1-N 3.08Å; N132-A135 PolarHBondContact O-N 3.48Å; N132-A135 PolarHBondContact OD1-N 3.14Å; N132-E136 PolarHBondContact O-N 3.14Å
133	K	87.2	Confident	90.3	Very high	178 Å²	178	62.1 Å²	62.1	77%	0.774	32%	0.316	S	S	*	.	H	α-helix	trans	-54.2	-31	-179.1	-66.1	-171.7	-177.8	-176.9	0	113.8	I137	K133-I137 WeakPolarHBondContact O-CG1 3.46Å; K133-I137 PolarHBondContact O-N 3.46Å
134	H	87.3	Confident	90.1	Very high	127 Å²	127	64.4 Å²	64.4	59%	0.588	33%	0.329	S	S	*	.	H	α-helix	trans	-69.6	-44.7	177.9	-175.5	78.6	0	0	0	111.4	N132 E136 I137 W138	N132-H134 PolarHBondContact O-N 3.35Å; N132-H134 WeakPolarHBondContact OD1-CA 3.41Å; N132-H134 WeakPolarHBondContact OD1-CB 3.44Å; N132-H134 PolarHBondContact OD1-N 2.89Å; N132-H134 VanDerWaalsContact OD1-N 3.08Å; H134-E136 VanDerWaalsContact C-N 3.33Å; H134-E136 PolarHBondContact O-N 3.17Å; H134-I137 PolarHBondContact O-N 2.92Å; H134-W138 AromaticContact CE1-NE1 3.86Å; H134-W138 AromaticContact NE2-NE1 3.69Å
135	A	86.4	Confident	89.9	Confident	25 Å²	25	66.7 Å²	66.7	21%	0.207	34%	0.34	C	S	.	.	H	α-helix	trans	-65.8	-34.6	176.6	0	0	0	0	0	112.4	R131 N132 I137 W138 N139	R131-A135 HydrophobicContact CB-CB 4.02Å; R131-A135 HydrophobicContact CG-CB 4.3Å; N132-A135 PolarHBondContact O-N 3.48Å; N132-A135 PolarHBondContact OD1-N 3.14Å; A135-I137 VanDerWaalsContact C-N 3.29Å; A135-I137 PolarHBondContact O-N 3.42Å; A135-W138 PolarHBondContact O-N 3.38Å; A135-N139 WeakPolarHBondContact O-CB 3.43Å; A135-N139 PolarHBondContact O-N 3.21Å
136	E	90.5	Very high	89.6	Confident	66 Å²	66	69.3 Å²	69.3	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-28.8	177.8	-65.2	-173.8	148.1	0	0	113.5	R131 N132 H134 W138 G140 S142	R131-E136 HydrophobicContact CB-CG 3.84Å; N132-E136 PolarHBondContact O-N 3.14Å; H134-E136 VanDerWaalsContact C-N 3.33Å; H134-E136 PolarHBondContact O-N 3.17Å; E136-W138 PolarHBondContact O-N 3.17Å; E136-G140 WeakPolarHBondContact CA-O 3.25Å; E136-G140 CarbonylContact O-C 3.52Å; E136-G140 WeakPolarHBondContact O-CA 3.24Å; E136-G140 PolarHBondContact O-N 3.06Å; E136-S142 PolarHBondContact OE1-N 2.8Å
137	I	90	Very high	89.3	Confident	133 Å²	133	71.5 Å²	71.5	68%	0.682	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-37	174.3	-69.3	165	0	0	0	110.9	K133 H134 A135	K133-I137 WeakPolarHBondContact O-CG1 3.46Å; K133-I137 PolarHBondContact O-N 3.46Å; H134-I137 PolarHBondContact O-N 2.92Å; A135-I137 VanDerWaalsContact C-N 3.29Å; A135-I137 PolarHBondContact O-N 3.42Å
138	W	85.7	Confident	89	Confident	196 Å²	196	71.5 Å²	71.5	74%	0.742	37%	0.372	S	S	*	.	H	α-helix	trans	-90.3	-41.2	-176.7	-66.6	101.9	0	0	0	112.9	H134 A135 E136	H134-W138 AromaticContact CE1-NE1 3.86Å; H134-W138 AromaticContact NE2-NE1 3.69Å; A135-W138 PolarHBondContact O-N 3.38Å; E136-W138 PolarHBondContact O-N 3.17Å
139	N	84.3	Confident	88.9	Confident	101 Å²	101	72.7 Å²	72.7	54%	0.54	38%	0.381	S	S	.	.	H	α-helix	trans	-111	0	-167.2	-60.8	-33.2	0	0	0	113.5	A135	A135-N139 WeakPolarHBondContact O-CB 3.43Å; A135-N139 PolarHBondContact O-N 3.21Å
140	G	86.8	Confident	88.9	Confident	26 Å²	26	75.9 Å²	75.9	27%	0.268	40%	0.399	S	S	.	.			trans	78.1	168.7	-170.6	0	0	0	0	0	113.1	R131 E136	R131-G140 PolarHBondContact NH1-O 2.95Å; E136-G140 WeakPolarHBondContact CA-O 3.25Å; E136-G140 CarbonylContact O-C 3.52Å; E136-G140 WeakPolarHBondContact O-CA 3.24Å; E136-G140 PolarHBondContact O-N 3.06Å
141	P	86.9	Confident	89.1	Confident	74 Å²	74	74 Å²	74	48%	0.481	39%	0.39	S	S	.	.			trans	-60.9	148.7	-178.7	27.5	-34.7	0	0	0	111.3	R131	R131-P141 PolarHBondContact NH1-O 3.39Å; R131-P141 VanDerWaalsContact NH1-O 3.07Å
142	S	86.2	Confident	89.6	Confident	15 Å²	15	72.3 Å²	72.3	11%	0.105	38%	0.384	C	S	.	.			trans	-105.3	152.3	166	56.5	0	0	0	0	110.2	R131 E136 T144	R131-S142 WeakPolarHBondContact CB-OG 3.22Å; R131-S142 PolarHBondContact N-OG 3.17Å; E136-S142 PolarHBondContact OE1-N 2.8Å; S142-T144 PolarHBondContact O-N 3.47Å
143	L	86.9	Confident	90	Very high	29 Å²	29	69 Å²	69	15%	0.152	37%	0.374	C	S	.	.			trans	-58.2	134.8	168.6	-66.8	170.1	0	0	0	110.3	L29 L97 E99 E147 A148	L29-L143 HydrophobicContact CD2-CD2 4.27Å; L97-L143 HydrophobicContact CD1-CD1 4.33Å; L97-L143 HydrophobicContact CD2-CD1 3.56Å; E99-L143 HydrophobicContact CG-CD1 4.28Å; L143-E147 HydrophobicContact CB-CB 4.39Å; L143-E147 HydrophobicContact CD2-CB 3.9Å; L143-A148 HydrophobicContact CB-CB 4.38Å
144	T	90.8	Very high	90.4	Very high	74 Å²	74	61 Å²	61	45%	0.454	34%	0.34	S	S	.	.			trans	-66.9	161.1	161.6	63	0	0	0	0	109.9	S142 S146 E147 A148	S142-T144 PolarHBondContact O-N 3.47Å; T144-S146 VanDerWaalsContact C-N 3.25Å; T144-S146 PolarHBondContact O-N 3.07Å; T144-E147 WeakPolarHBondContact CB-OE2 3.42Å; T144-E147 WeakPolarHBondContact CG2-OE2 3.39Å; T144-E147 PolarHBondContact N-OE2 2.97Å; T144-E147 PolarHBondContact O-N 3.47Å; T144-E147 VanDerWaalsContact O-N 3.17Å; T144-E147 WeakPolarHBondContact OG1-CB 3.22Å; T144-E147 WeakPolarHBondContact OG1-CG 3.29Å; T144-E147 PolarHBondContact OG1-N 2.76Å; T144-E147 PolarHBondContact OG1-OE2 3.48Å; T144-A148 WeakPolarHBondContact O-CB 3.34Å; T144-A148 PolarHBondContact O-N 2.83Å
145	L	93.7	Very high	90.8	Very high	56 Å²	56	59.8 Å²	59.8	29%	0.293	34%	0.338	S	S	.	.	H	α-helix	trans	-57.6	-41	177.3	-57.9	-178.1	0	0	0	111.9	V128 T130 A148 S149 H158 P159	V128-L145 HydrophobicContact CG2-CD2 3.62Å; T130-L145 HydrophobicContact CG2-CD2 3.93Å; T130-L145 HydrophobicContact CG2-CG 4.42Å; L145-A148 PolarHBondContact O-N 3.5Å; L145-S149 PolarHBondContact O-N 3.45Å; L145-S149 PolarHBondContact O-OG 2.78Å; L145-H158 VanDerWaalsContact CD2-C 3.47Å; L145-P159 HydrophobicContact CD1-CG 3.99Å; L145-P159 HydrophobicContact CD2-CG 4.45Å
146	S	91.9	Very high	91.3	Very high	78 Å²	78	61.6 Å²	61.6	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-65.9	-41.4	177.9	-179.7	0	0	0	0	112	T144 A148 S149 L150	T144-S146 VanDerWaalsContact C-N 3.25Å; T144-S146 PolarHBondContact O-N 3.07Å; S146-A148 VanDerWaalsContact C-N 3.34Å; S146-S149 PolarHBondContact O-N 3.25Å; S146-L150 WeakPolarHBondContact O-CB 3.41Å; S146-L150 VanDerWaalsContact O-CG 3.28Å; S146-L150 WeakPolarHBondContact O-CG 3.42Å; S146-L150 PolarHBondContact O-N 3.07Å
147	E	92.1	Very high	91.6	Very high	45 Å²	45	59.4 Å²	59.4	21%	0.21	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-39.1	174.8	-71.7	164.1	148.2	0	0	111.4	L143 T144 L150 A151	L143-E147 HydrophobicContact CB-CB 4.39Å; L143-E147 HydrophobicContact CD2-CB 3.9Å; T144-E147 WeakPolarHBondContact CB-OE2 3.42Å; T144-E147 WeakPolarHBondContact CG2-OE2 3.39Å; T144-E147 PolarHBondContact N-OE2 2.97Å; T144-E147 PolarHBondContact O-N 3.47Å; T144-E147 VanDerWaalsContact O-N 3.17Å; T144-E147 WeakPolarHBondContact OG1-CB 3.22Å; T144-E147 WeakPolarHBondContact OG1-CG 3.29Å; T144-E147 PolarHBondContact OG1-N 2.76Å; T144-E147 PolarHBondContact OG1-OE2 3.48Å; E147-L150 PolarHBondContact O-N 3.04Å; E147-A151 WeakPolarHBondContact O-CB 3.37Å; E147-A151 PolarHBondContact O-N 3.39Å
148	A	93	Very high	92	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-45	175.1	0	0	0	0	0	111.5	L126 V128 L143 T144 L145 S146 A151 T152	L126-A148 HydrophobicContact CD2-CB 4.13Å; V128-A148 HydrophobicContact CG1-CB 4.15Å; V128-A148 HydrophobicContact CG2-CB 4.21Å; L143-A148 HydrophobicContact CB-CB 4.38Å; T144-A148 WeakPolarHBondContact O-CB 3.34Å; T144-A148 PolarHBondContact O-N 2.83Å; L145-A148 PolarHBondContact O-N 3.5Å; S146-A148 VanDerWaalsContact C-N 3.34Å; A148-A151 PolarHBondContact O-N 2.76Å; A148-T152 WeakPolarHBondContact O-CB 3.17Å; A148-T152 VanDerWaalsContact O-CG2 3.3Å; A148-T152 WeakPolarHBondContact O-CG2 3.37Å; A148-T152 PolarHBondContact O-N 2.86Å; A148-T152 PolarHBondContact O-OG1 2.9Å
149	S	92.8	Very high	92.5	Very high	37 Å²	37	46.5 Å²	46.5	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-47.3	175.5	-50.3	0	0	0	0	111.6	L145 S146 A151 T152 G153 S157	L145-S149 PolarHBondContact O-N 3.45Å; L145-S149 PolarHBondContact O-OG 2.78Å; S146-S149 PolarHBondContact O-N 3.25Å; S149-A151 PolarHBondContact O-N 3Å; S149-T152 PolarHBondContact O-N 3.11Å; S149-G153 WeakPolarHBondContact O-CA 3.21Å; S149-G153 PolarHBondContact O-N 2.8Å; S149-S157 WeakPolarHBondContact OG-CB 3.24Å; S149-S157 PolarHBondContact OG-OG 2.92Å
150	L	93.2	Very high	93.1	Very high	126 Å²	126	42.9 Å²	42.9	66%	0.66	26%	0.263	S	S	*	.	H	α-helix	trans	-64.8	-38.1	-179.4	-72.6	170.6	0	0	0	112.9	S146 E147	S146-L150 WeakPolarHBondContact O-CB 3.41Å; S146-L150 VanDerWaalsContact O-CG 3.28Å; S146-L150 WeakPolarHBondContact O-CG 3.42Å; S146-L150 PolarHBondContact O-N 3.07Å; E147-L150 PolarHBondContact O-N 3.04Å
151	A	92.9	Very high	93.5	Very high	29 Å²	29	46 Å²	46	24%	0.24	28%	0.282	C	S	.	.	H	α-helix	trans	-74.1	-26.4	-178.2	0	0	0	0	0	113.2	L37 L97 E147 A148 S149	L37-A151 WeakPolarHBondContact CD2-O 3.39Å; L97-A151 HydrophobicContact CD2-CB 4.25Å; E147-A151 WeakPolarHBondContact O-CB 3.37Å; E147-A151 PolarHBondContact O-N 3.39Å; A148-A151 PolarHBondContact O-N 2.76Å; S149-A151 PolarHBondContact O-N 3Å
152	T	95.5	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-111.9	-23.6	-171.5	62.6	0	0	0	0	114.4	R44 T95 L97 L126 A148 S149 V154	R44-T152 PolarHBondContact NH1-O 3.18Å; R44-T152 PolarHBondContact NH2-O 3.23Å; T95-T152 WeakPolarHBondContact O-CG2 3.34Å; L97-T152 HydrophobicContact CD1-CG2 3.43Å; L97-T152 VanDerWaalsContact CD1-CG2 3.43Å; L97-T152 HydrophobicContact CD2-CG2 3.75Å; L97-T152 HydrophobicContact CG-CG2 3.37Å; L126-T152 HydrophobicContact CD2-CG2 3.99Å; A148-T152 WeakPolarHBondContact O-CB 3.17Å; A148-T152 VanDerWaalsContact O-CG2 3.3Å; A148-T152 WeakPolarHBondContact O-CG2 3.37Å; A148-T152 PolarHBondContact O-N 2.86Å; A148-T152 PolarHBondContact O-OG1 2.9Å; S149-T152 PolarHBondContact O-N 3.11Å; T152-V154 VanDerWaalsContact C-N 3.26Å; T152-V154 PolarHBondContact O-N 3.23Å; T152-V154 WeakPolarHBondContact OG1-CG1 3.35Å; T152-V154 VanDerWaalsContact OG1-CG2 3.28Å; T152-V154 WeakPolarHBondContact OG1-CG2 3.4Å; T152-V154 PolarHBondContact OG1-N 3.22Å
153	G	95.6	Very high	94.6	Very high	34 Å²	34	45.9 Å²	45.9	35%	0.351	27%	0.273	S	S	.	.			trans	65.6	26	-173.9	0	0	0	0	0	113.6	R44 S149	R44-G153 VanDerWaalsContact NH2-C 3.31Å; R44-G153 PolarHBondContact NH2-O 2.71Å; S149-G153 WeakPolarHBondContact O-CA 3.21Å; S149-G153 PolarHBondContact O-N 2.8Å
154	V	96.3	Very high	95	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	27%	0.274	C	S	.	.			trans	-74.3	155.2	171.8	-62.8	0	0	0	0	111	L104 T124 L126 T152 S157	L104-V154 HydrophobicContact CD1-CG1 4.03Å; T124-V154 WeakPolarHBondContact OG1-CA 3.37Å; L126-V154 HydrophobicContact CB-CB 4.37Å; L126-V154 HydrophobicContact CB-CG1 4.3Å; L126-V154 HydrophobicContact CB-CG2 3.74Å; L126-V154 HydrophobicContact CD2-CG2 4.17Å; T152-V154 VanDerWaalsContact C-N 3.26Å; T152-V154 PolarHBondContact O-N 3.23Å; T152-V154 WeakPolarHBondContact OG1-CG1 3.35Å; T152-V154 VanDerWaalsContact OG1-CG2 3.28Å; T152-V154 WeakPolarHBondContact OG1-CG2 3.4Å; T152-V154 PolarHBondContact OG1-N 3.22Å; V154-S157 WeakPolarHBondContact CG2-OG 3.39Å
155	D	96	Very high	95.3	Very high	101 Å²	101	49.5 Å²	49.5	54%	0.54	28%	0.284	S	S	.	.	S	Bend	trans	-71.2	-40.8	-175.1	-51.4	-61.8	0	0	0	111.7	T124	T124-D155 WeakPolarHBondContact CB-OD2 3.41Å; T124-D155 PolarHBondContact N-OD2 3.37Å; T124-D155 PolarHBondContact OG1-N 3.36Å; T124-D155 PolarHBondContact OG1-OD2 3.42Å
156	N	97	Very high	95.5	Very high	64 Å²	64	48.3 Å²	48.3	34%	0.342	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.7	-177.1	-54.6	-86.7	0	0	0	111.4	T124 H125 L126 H158	T124-N156 PolarHBondContact O-N 2.93Å; T124-N156 PolarHBondContact O-ND2 2.86Å; H125-N156 CarbonylContact C-O 3.58Å; H125-N156 WeakPolarHBondContact CA-O 3.1Å; L126-N156 PolarHBondContact N-O 3.18Å; N156-H158 VanDerWaalsContact CB-NE2 3.28Å; N156-H158 WeakPolarHBondContact CB-NE2 3.35Å
157	S	97	Very high	95.7	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.4	173.1	-61.5	0	0	0	0	111.3	L126 S149 V154	L126-S157 CarbonylContact O-C 3.55Å; L126-S157 VanDerWaalsContact O-CA 3.28Å; L126-S157 WeakPolarHBondContact O-CA 3.27Å; S149-S157 WeakPolarHBondContact OG-CB 3.24Å; S149-S157 PolarHBondContact OG-OG 2.92Å; V154-S157 WeakPolarHBondContact CG2-OG 3.39Å
158	H	97.7	Very high	95.8	Very high	37 Å²	37	45.8 Å²	45.8	17%	0.171	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.3	-170.8	-55.6	-84.3	0	0	0	110.6	H125 L126 F127 V128 L145 N156	H125-H158 AromaticContact CE1-NE2 4Å; H125-H158 AromaticContact CG-NE2 3.9Å; H125-H158 AromaticContact ND1-CD2 3.85Å; H125-H158 AromaticContact ND1-CE1 3.91Å; H125-H158 AromaticContact ND1-NE2 3.05Å; H125-H158 PolarHBondContact ND1-NE2 3.03Å; L126-H158 PolarHBondContact O-N 3.3Å; F127-H158 VanDerWaalsContact CA-O 3.3Å; F127-H158 WeakPolarHBondContact CA-O 3.39Å; F127-H158 HydrophobicContact CD1-CB 3.52Å; F127-H158 HydrophobicContact CE1-CB 3.49Å; F127-H158 VanDerWaalsContact CE1-CB 3.49Å; F127-H158 AromaticContact CE1-CG 3.84Å; F127-H158 HydrophobicContact CG-CB 4.23Å; F127-H158 HydrophobicContact CZ-CB 4.18Å; F127-H158 AromaticContact CZ-CD2 3.98Å; V128-H158 PolarHBondContact N-O 2.86Å; L145-H158 VanDerWaalsContact CD2-C 3.47Å; N156-H158 VanDerWaalsContact CB-NE2 3.28Å; N156-H158 WeakPolarHBondContact CB-NE2 3.35Å
159	P	96.7	Very high	95.7	Very high	20 Å²	20	51.2 Å²	51.2	13%	0.13	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	140.3	165.8	-17.5	30.1	0	0	0	110.8	V128 T130 L145 S161 E162	V128-P159 CarbonylContact O-C 3.58Å; T130-P159 HydrophobicContact CG2-CB 4.15Å; L145-P159 HydrophobicContact CD1-CG 3.99Å; L145-P159 HydrophobicContact CD2-CG 4.45Å; P159-S161 PolarHBondContact O-N 3.4Å; P159-S161 VanDerWaalsContact O-N 3.11Å; P159-E162 HydrophobicContact CB-CG 4.25Å; P159-E162 HydrophobicContact CG-CG 4.18Å; P159-E162 WeakPolarHBondContact O-CB 3.22Å; P159-E162 PolarHBondContact O-N 2.6Å
160	L	96.4	Very high	95.6	Very high	25 Å²	25	50.1 Å²	50.1	13%	0.131	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-55.7	-31.9	176.5	-176.5	62.4	0	0	0	112.7	N101 I103 F127 V128 E129 E162 F163 F197	N101-L160 HydrophobicContact CB-CD2 3.77Å; N101-L160 VanDerWaalsContact O-CD1 3.32Å; N101-L160 WeakPolarHBondContact O-CD1 3.45Å; N101-L160 VanDerWaalsContact O-CD2 3.31Å; N101-L160 WeakPolarHBondContact O-CD2 3.33Å; I103-L160 HydrophobicContact CD1-CD1 3.55Å; I103-L160 HydrophobicContact CG1-CD1 3.88Å; F127-L160 HydrophobicContact CB-CD1 4.13Å; V128-L160 WeakPolarHBondContact O-CB 3.41Å; V128-L160 PolarHBondContact O-N 2.88Å; E129-L160 HydrophobicContact CB-CD2 4.35Å; L160-E162 PolarHBondContact O-N 2.92Å; L160-F163 VanDerWaalsContact O-CB 3.29Å; L160-F163 WeakPolarHBondContact O-CB 3.32Å; L160-F163 PolarHBondContact O-N 3.18Å; L160-F163 VanDerWaalsContact O-N 3.14Å; L160-F197 HydrophobicContact CD1-CE1 4.04Å; L160-F197 HydrophobicContact CG-CE1 4.35Å
161	S	95.4	Very high	95.3	Very high	93 Å²	93	44.5 Å²	44.5	65%	0.65	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-61.6	-20	175.2	53.4	0	0	0	0	114.1	P159	P159-S161 PolarHBondContact O-N 3.4Å; P159-S161 VanDerWaalsContact O-N 3.11Å
162	E	97.4	Very high	95	Very high	85 Å²	85	49.8 Å²	49.8	40%	0.397	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-89.2	-7.9	179.2	-62.6	-170.4	169.8	0	0	113.1	P159 L160 S164 K165 F166	P159-E162 HydrophobicContact CB-CG 4.25Å; P159-E162 HydrophobicContact CG-CG 4.18Å; P159-E162 WeakPolarHBondContact O-CB 3.22Å; P159-E162 PolarHBondContact O-N 2.6Å; L160-E162 PolarHBondContact O-N 2.92Å; E162-S164 VanDerWaalsContact C-N 3.32Å; E162-S164 PolarHBondContact O-N 3.17Å; E162-K165 PolarHBondContact O-N 2.9Å; E162-K165 VanDerWaalsContact O-N 3.1Å; E162-F166 PolarHBondContact O-N 3.01Å
163	F	98	Very high	94.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.4	-43	-176.5	-178.7	-121.9	0	0	0	113.3	I103 L105 F127 L160 F166 L167 F197 K201 I202	I103-F163 HydrophobicContact CD1-CB 4.17Å; I103-F163 HydrophobicContact CD1-CD1 3.36Å; I103-F163 HydrophobicContact CD1-CD2 3.71Å; I103-F163 HydrophobicContact CD1-CE1 3.49Å; I103-F163 VanDerWaalsContact CD1-CE1 3.49Å; I103-F163 HydrophobicContact CD1-CE2 3.84Å; I103-F163 HydrophobicContact CD1-CG 3.47Å; I103-F163 VanDerWaalsContact CD1-CG 3.47Å; I103-F163 HydrophobicContact CD1-CZ 3.72Å; I103-F163 HydrophobicContact CG2-CE2 4.03Å; I103-F163 HydrophobicContact CG2-CZ 4.17Å; L105-F163 HydrophobicContact CD1-CE2 4.04Å; L105-F163 HydrophobicContact CD2-CE2 4.16Å; L105-F163 HydrophobicContact CG-CE2 4.41Å; F127-F163 HydrophobicContact CD1-CB 3.77Å; F127-F163 HydrophobicContact CD1-CD2 4.13Å; F127-F163 HydrophobicContact CD1-CG 4.44Å; F127-F163 AromaticContact CD2-CD2 3.85Å; F127-F163 HydrophobicContact CD2-CD2 3.85Å; F127-F163 HydrophobicContact CD2-CE2 4.46Å; F127-F163 HydrophobicContact CE1-CB 4.12Å; F127-F163 HydrophobicContact CE1-CD2 4.17Å; F127-F163 AromaticContact CE2-CD2 3.9Å; F127-F163 HydrophobicContact CE2-CD2 3.9Å; F127-F163 HydrophobicContact CE2-CE2 4.45Å; F127-F163 HydrophobicContact CG-CB 4.2Å; F127-F163 AromaticContact CG-CD2 3.99Å; F127-F163 HydrophobicContact CG-CD2 3.99Å; F127-F163 HydrophobicContact CZ-CD2 4.07Å; L160-F163 VanDerWaalsContact O-CB 3.29Å; L160-F163 WeakPolarHBondContact O-CB 3.32Å; L160-F163 PolarHBondContact O-N 3.18Å; L160-F163 VanDerWaalsContact O-N 3.14Å; F163-F166 WeakPolarHBondContact O-CB 2.98Å; F163-F166 PolarHBondContact O-N 3.17Å; F163-L167 HydrophobicContact CD1-CD1 4.28Å; F163-L167 HydrophobicContact CE1-CD1 3.72Å; F163-L167 HydrophobicContact CE2-CD1 4.11Å; F163-L167 HydrophobicContact CE2-CD2 4.35Å; F163-L167 HydrophobicContact CE2-CG 4.14Å; F163-L167 HydrophobicContact CZ-CD1 3.63Å; F163-L167 HydrophobicContact CZ-CD2 4.44Å; F163-L167 HydrophobicContact CZ-CG 4.16Å; F163-L167 PolarHBondContact O-N 3.08Å; F163-L167 VanDerWaalsContact O-N 3.08Å; F163-F197 AromaticContact CD1-CE1 3.92Å; F163-F197 HydrophobicContact CD1-CE1 3.92Å; F163-F197 HydrophobicContact CD1-CZ 4.43Å; F163-K201 HydrophobicContact CD1-CB 4.06Å; F163-K201 HydrophobicContact CD1-CG 4.21Å; F163-K201 HydrophobicContact CE1-CB 3.72Å; F163-K201 HydrophobicContact CE1-CG 4.34Å; F163-I202 HydrophobicContact CZ-CD1 4.03Å
164	S	96.2	Very high	93.6	Very high	27 Å²	27	54.9 Å²	54.9	19%	0.189	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-45.6	177.2	-59.3	0	0	0	0	111.9	E162 F166 L167 D168 K201	E162-S164 VanDerWaalsContact C-N 3.32Å; E162-S164 PolarHBondContact O-N 3.17Å; S164-F166 VanDerWaalsContact C-N 3.28Å; S164-F166 PolarHBondContact O-N 3.12Å; S164-L167 PolarHBondContact O-N 2.91Å; S164-D168 PolarHBondContact O-N 2.92Å; S164-K201 WeakPolarHBondContact OG-CD 3.33Å; S164-K201 WeakPolarHBondContact OG-CE 3.44Å; S164-K201 PolarHBondContact OG-NZ 3.33Å
165	K	96.8	Very high	92.9	Very high	152 Å²	152	55.4 Å²	55.4	66%	0.661	30%	0.297	S	S	*	.	H	α-helix	trans	-62.9	-37.9	178.5	-63.4	-177.4	-179.2	176.6	0	111.7	E162 D168 H169	E162-K165 PolarHBondContact O-N 2.9Å; E162-K165 VanDerWaalsContact O-N 3.1Å; K165-D168 PolarHBondContact O-N 3.07Å; K165-H169 PolarHBondContact O-N 3.39Å
166	F	97.2	Very high	92.6	Very high	31 Å²	31	52.4 Å²	52.4	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-50	175	-178.9	-88.8	0	0	0	110.8	L105 H125 F127 E162 F163 S164 H169 Q170	L105-F166 HydrophobicContact CD1-CD1 3.9Å; L105-F166 HydrophobicContact CD1-CE1 3.5Å; L105-F166 HydrophobicContact CD1-CZ 4.3Å; H125-F166 AromaticContact CE1-CE2 3.7Å; H125-F166 AromaticContact ND1-CE2 3.5Å; H125-F166 AromaticContact ND1-CZ 3.9Å; F127-F166 HydrophobicContact CE1-CB 4Å; F127-F166 HydrophobicContact CE1-CG 4.35Å; F127-F166 HydrophobicContact CE2-CD1 4.47Å; F127-F166 HydrophobicContact CE2-CG 4.48Å; F127-F166 HydrophobicContact CZ-CB 3.72Å; F127-F166 AromaticContact CZ-CD1 3.97Å; F127-F166 HydrophobicContact CZ-CD1 3.97Å; F127-F166 AromaticContact CZ-CD2 3.89Å; F127-F166 HydrophobicContact CZ-CD2 3.89Å; F127-F166 AromaticContact CZ-CG 3.58Å; F127-F166 HydrophobicContact CZ-CG 3.58Å; E162-F166 PolarHBondContact O-N 3.01Å; F163-F166 WeakPolarHBondContact O-CB 2.98Å; F163-F166 PolarHBondContact O-N 3.17Å; S164-F166 VanDerWaalsContact C-N 3.28Å; S164-F166 PolarHBondContact O-N 3.12Å; F166-H169 PolarHBondContact O-N 3.42Å; F166-Q170 HydrophobicContact CD1-CG 4.11Å; F166-Q170 HydrophobicContact CE1-CG 3.83Å; F166-Q170 HydrophobicContact CZ-CG 4.41Å; F166-Q170 WeakPolarHBondContact O-CG 3.45Å; F166-Q170 PolarHBondContact O-N 3.08Å; F166-Q170 VanDerWaalsContact O-N 3.11Å
167	L	96.1	Very high	92.4	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-43.6	177.5	-69.3	178	0	0	0	112.5	F163 S164 H169 Q170 A171 K201 I202 F205	F163-L167 HydrophobicContact CD1-CD1 4.28Å; F163-L167 HydrophobicContact CE1-CD1 3.72Å; F163-L167 HydrophobicContact CE2-CD1 4.11Å; F163-L167 HydrophobicContact CE2-CD2 4.35Å; F163-L167 HydrophobicContact CE2-CG 4.14Å; F163-L167 HydrophobicContact CZ-CD1 3.63Å; F163-L167 HydrophobicContact CZ-CD2 4.44Å; F163-L167 HydrophobicContact CZ-CG 4.16Å; F163-L167 PolarHBondContact O-N 3.08Å; F163-L167 VanDerWaalsContact O-N 3.08Å; S164-L167 PolarHBondContact O-N 2.91Å; L167-H169 VanDerWaalsContact C-N 3.25Å; L167-H169 PolarHBondContact O-N 2.75Å; L167-Q170 CarbonylContact O-C 3.59Å; L167-Q170 WeakPolarHBondContact O-CA 3.34Å; L167-Q170 WeakPolarHBondContact O-CB 3.25Å; L167-Q170 PolarHBondContact O-N 3.1Å; L167-A171 PolarHBondContact O-N 2.95Å; L167-K201 HydrophobicContact CD1-CB 4.23Å; L167-I202 HydrophobicContact CD1-CD1 3.88Å; L167-I202 HydrophobicContact CD2-CD1 4.23Å; L167-F205 HydrophobicContact CB-CB 4.24Å; L167-F205 HydrophobicContact CB-CD2 3.8Å; L167-F205 HydrophobicContact CB-CE2 4.43Å; L167-F205 HydrophobicContact CB-CG 4.17Å; L167-F205 HydrophobicContact CD1-CB 4.09Å; L167-F205 HydrophobicContact CD1-CG 4.48Å; L167-F205 HydrophobicContact CD2-CD1 4.48Å; L167-F205 HydrophobicContact CD2-CD2 4.37Å; L167-F205 HydrophobicContact CD2-CG 4.3Å; L167-F205 WeakPolarHBondContact O-CD2 3.49Å; L167-F205 WeakPolarHBondContact O-CE2 3.38Å
168	D	93.8	Very high	92.3	Very high	68 Å²	68	48.4 Å²	48.4	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-56.6	-42.6	177.1	-64.3	-28.5	0	0	0	110.6	S164 K165 Q170 A171 L172 Q208	S164-D168 PolarHBondContact O-N 2.92Å; K165-D168 PolarHBondContact O-N 3.07Å; D168-Q170 VanDerWaalsContact C-N 3.31Å; D168-Q170 PolarHBondContact O-N 3.18Å; D168-A171 WeakPolarHBondContact O-CB 3.23Å; D168-A171 PolarHBondContact O-N 3.31Å; D168-L172 PolarHBondContact O-N 2.83Å; D168-Q208 PolarHBondContact OD1-NE2 3.31Å; D168-Q208 PolarHBondContact OD1-OE1 3.08Å
169	H	92.8	Very high	92.1	Very high	114 Å²	114	46.7 Å²	46.7	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-32.7	174.7	-179.1	-95.8	0	0	0	113	K165 F166 L167	K165-H169 PolarHBondContact O-N 3.39Å; F166-H169 PolarHBondContact O-N 3.42Å; L167-H169 VanDerWaalsContact C-N 3.25Å; L167-H169 PolarHBondContact O-N 2.75Å
170	Q	90.6	Very high	92.1	Very high	13 Å²	13	45.8 Å²	45.8	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-69.3	-34	173.2	-55.3	-41.2	-27.5	0	0	112.5	Y64 I66 F166 L167 D168 L172 S173 F205	Y64-Q170 HydrophobicContact CE1-CB 4.15Å; Y64-Q170 HydrophobicContact CE1-CG 4.29Å; Y64-Q170 PolarHBondContact OH-OE1 3.29Å; I66-Q170 HydrophobicContact CD1-CB 4.31Å; I66-Q170 HydrophobicContact CD1-CG 4.3Å; F166-Q170 HydrophobicContact CD1-CG 4.11Å; F166-Q170 HydrophobicContact CE1-CG 3.83Å; F166-Q170 HydrophobicContact CZ-CG 4.41Å; F166-Q170 WeakPolarHBondContact O-CG 3.45Å; F166-Q170 PolarHBondContact O-N 3.08Å; F166-Q170 VanDerWaalsContact O-N 3.11Å; L167-Q170 CarbonylContact O-C 3.59Å; L167-Q170 WeakPolarHBondContact O-CA 3.34Å; L167-Q170 WeakPolarHBondContact O-CB 3.25Å; L167-Q170 PolarHBondContact O-N 3.1Å; D168-Q170 VanDerWaalsContact C-N 3.31Å; D168-Q170 PolarHBondContact O-N 3.18Å; Q170-L172 PolarHBondContact O-N 3.48Å; Q170-S173 VanDerWaalsContact O-CB 3.3Å; Q170-S173 WeakPolarHBondContact O-CB 3.28Å; Q170-S173 PolarHBondContact O-N 3.08Å; Q170-S173 VanDerWaalsContact O-N 3.11Å; Q170-F205 HydrophobicContact CB-CE2 3.98Å; Q170-F205 HydrophobicContact CB-CZ 4.24Å
171	A	87.1	Confident	92.1	Very high	9 Å²	9	44.6 Å²	44.6	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-25	-178.4	0	0	0	0	0	113	L167 D168 S173 F205 Q208 I209	L167-A171 PolarHBondContact O-N 2.95Å; D168-A171 WeakPolarHBondContact O-CB 3.23Å; D168-A171 PolarHBondContact O-N 3.31Å; A171-S173 PolarHBondContact O-N 2.78Å; A171-F205 HydrophobicContact CB-CD2 3.98Å; A171-F205 HydrophobicContact CB-CE2 3.77Å; A171-Q208 HydrophobicContact CB-CB 4.16Å; A171-I209 HydrophobicContact CB-CD1 4.29Å; A171-I209 HydrophobicContact CB-CG1 3.98Å
172	L	85.9	Confident	91.8	Very high	140 Å²	140	40.8 Å²	40.8	73%	0.733	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16	174.2	-62	177.2	0	0	0	113.2	D168 Q170 T174	D168-L172 PolarHBondContact O-N 2.83Å; Q170-L172 PolarHBondContact O-N 3.48Å; L172-T174 PolarHBondContact O-N 3.36Å
173	S	80.3	Confident	91.3	Very high	14 Å²	14	37.3 Å²	37.3	10%	0.098	20%	0.199	C	C	.	.			trans	-63.4	134.4	175.1	-170.3	0	0	0	0	110.7	Q170 A171 Q175 R213	Q170-S173 VanDerWaalsContact O-CB 3.3Å; Q170-S173 WeakPolarHBondContact O-CB 3.28Å; Q170-S173 PolarHBondContact O-N 3.08Å; Q170-S173 VanDerWaalsContact O-N 3.11Å; A171-S173 PolarHBondContact O-N 2.78Å; S173-Q175 PolarHBondContact O-N 3.04Å; S173-Q175 WeakPolarHBondContact OG-CB 3.45Å; S173-Q175 PolarHBondContact OG-N 3.06Å; S173-Q175 PolarHBondContact OG-OE1 3Å; S173-R213 PolarHBondContact O-NH1 2.9Å
174	T	80.1	Confident	90.5	Very high	126 Å²	126	39.6 Å²	39.6	77%	0.773	21%	0.211	S	C	*	.			trans	-76.2	-11.8	173.3	52.8	0	0	0	0	112.6	L172 R213	L172-T174 PolarHBondContact O-N 3.36Å; T174-R213 WeakPolarHBondContact O-CD 3.42Å
175	Q	82.5	Confident	89.5	Confident	21 Å²	21	40.5 Å²	40.5	10%	0.098	22%	0.217	C	C	.	.	S	Bend	trans	-67.1	161.7	-177.4	-69.6	170.3	-19	0	0	113.2	S63 T111 S173 R213	S63-Q175 WeakPolarHBondContact OG-CB 3.32Å; S63-Q175 WeakPolarHBondContact OG-CG 3.35Å; T111-Q175 PolarHBondContact O-NE2 2.9Å; S173-Q175 PolarHBondContact O-N 3.04Å; S173-Q175 WeakPolarHBondContact OG-CB 3.45Å; S173-Q175 PolarHBondContact OG-N 3.06Å; S173-Q175 PolarHBondContact OG-OE1 3Å; Q175-R213 PolarHBondContact O-NH1 2.71Å
176	S	90	Very high	88	Confident	38 Å²	38	35.5 Å²	35.5	27%	0.266	20%	0.201	S	C	.	.			trans	-76.3	132.1	164	49.5	0	0	0	0	109.5	P62 S63 Y64 R213	P62-S176 WeakPolarHBondContact CA-OG 3.37Å; S63-S176 PolarHBondContact N-O 2.96Å; S63-S176 PolarHBondContact N-OG 3.47Å; Y64-S176 PolarHBondContact N-O 3.01Å; Y64-S176 VanDerWaalsContact N-O 3.11Å; S176-R213 CarbonylContact C-O 3.58Å; S176-R213 VanDerWaalsContact CA-O 3.31Å; S176-R213 WeakPolarHBondContact CA-O 3.39Å
177	I	92.9	Very high	86.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.7	-172.7	-50.9	-175.5	0	0	0	108.8	Y64 I66 V179 F205 I209 R213 I214 S215	Y64-I177 HydrophobicContact CD1-CB 4.42Å; Y64-I177 HydrophobicContact CD1-CD1 4.05Å; Y64-I177 HydrophobicContact CD1-CG1 3.95Å; Y64-I177 HydrophobicContact CD1-CG2 3.86Å; Y64-I177 CarbonylContact O-C 3.5Å; Y64-I177 VanDerWaalsContact O-CA 3.27Å; Y64-I177 WeakPolarHBondContact O-CA 3.5Å; I66-I177 HydrophobicContact CD1-CG2 4.25Å; I66-I177 HydrophobicContact CG1-CG2 4.4Å; I177-V179 HydrophobicContact CG2-CG2 4.2Å; I177-F205 HydrophobicContact CD1-CZ 4.32Å; I177-I209 HydrophobicContact CD1-CD1 3.84Å; I177-R213 PolarHBondContact N-O 2.94Å; I177-I214 CarbonylContact O-C 3.51Å; I177-I214 VanDerWaalsContact O-CA 3.31Å; I177-I214 WeakPolarHBondContact O-CA 3.42Å; I177-S215 PolarHBondContact O-N 3.29Å
178	C	94	Very high	84.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.8	167.4	167.3	0	0	0	0	110.7	P62 Y64 H65 I66 S215	P62-C178 HydrophobicContact CB-CB 3.69Å; P62-C178 HydrophobicContact CG-CB 3.59Å; Y64-C178 PolarHBondContact O-N 2.95Å; H65-C178 WeakPolarHBondContact CA-O 3.44Å; H65-C178 WeakPolarHBondContact ND1-CB 3.49Å; I66-C178 PolarHBondContact N-O 2.79Å; C178-S215 WeakPolarHBondContact CA-O 3.22Å; C178-S215 WeakPolarHBondContact CB-OG 3.19Å
179	V	95.1	Very high	83.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.8	176.6	-176.8	0	0	0	0	108.9	I66 V68 I177 Y181 I202 F205 I214 S215 F216 E217	I66-V179 CarbonylContact O-C 3.52Å; I66-V179 VanDerWaalsContact O-CA 3.31Å; I66-V179 WeakPolarHBondContact O-CA 3.35Å; V68-V179 HydrophobicContact CG2-CG1 4.02Å; I177-V179 HydrophobicContact CG2-CG2 4.2Å; V179-Y181 PolarHBondContact O-N 2.86Å; V179-I202 HydrophobicContact CG1-CG2 4.12Å; V179-F205 HydrophobicContact CG2-CD1 4.46Å; V179-F205 HydrophobicContact CG2-CE1 3.8Å; V179-I214 HydrophobicContact CG2-CD1 4.1Å; V179-I214 HydrophobicContact CG2-CG1 4.39Å; V179-S215 PolarHBondContact N-O 3.33Å; V179-F216 HydrophobicContact CB-CD1 3.81Å; V179-F216 HydrophobicContact CB-CE1 3.73Å; V179-F216 HydrophobicContact CG1-CD1 4.2Å; V179-F216 HydrophobicContact CG1-CE1 4.04Å; V179-F216 HydrophobicContact CG2-CE1 4.2Å; V179-F216 VanDerWaalsContact O-CA 3.29Å; V179-F216 WeakPolarHBondContact O-CA 3.44Å; V179-E217 PolarHBondContact O-N 2.85Å
180	W	96.3	Very high	82	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	100.8	171.7	-56.5	78.9	0	0	0	108.8	V51 C54 M58 H65 I66 V67 V68 E217 P219 L222	V51-W180 HydrophobicContact CG1-CD2 4.35Å; V51-W180 HydrophobicContact CG1-CH2 4.45Å; V51-W180 HydrophobicContact CG1-CZ2 3.68Å; C54-W180 HydrophobicContact CB-CH2 3.7Å; C54-W180 HydrophobicContact CB-CZ2 4.4Å; M58-W180 HydrophobicContact CE-CH2 3.3Å; M58-W180 HydrophobicContact CE-CZ2 3.06Å; M58-W180 HydrophobicContact CE-CZ3 4.27Å; M58-W180 HydrophobicContact SD-CZ2 4.44Å; H65-W180 AromaticContact CG-NE1 3.98Å; H65-W180 AromaticContact ND1-NE1 3.22Å; H65-W180 PolarHBondContact ND1-NE1 3.22Å; I66-W180 PolarHBondContact O-N 2.79Å; V67-W180 HydrophobicContact CB-CB 4.18Å; V67-W180 HydrophobicContact CG1-CB 4.06Å; V67-W180 HydrophobicContact CG2-CB 3.92Å; V67-W180 HydrophobicContact CG2-CG 3.96Å; V68-W180 PolarHBondContact N-O 3.08Å; W180-E217 CarbonylContact C-O 3.54Å; W180-E217 WeakPolarHBondContact CA-O 3.36Å; W180-E217 HydrophobicContact CD2-CB 3.66Å; W180-E217 HydrophobicContact CD2-CG 4.46Å; W180-E217 HydrophobicContact CE3-CB 3.35Å; W180-E217 HydrophobicContact CE3-CG 4.29Å; W180-E217 HydrophobicContact CG-CB 4.24Å; W180-E217 HydrophobicContact CH2-CB 4.34Å; W180-E217 HydrophobicContact CH2-CG 4.48Å; W180-E217 HydrophobicContact CZ3-CB 3.71Å; W180-E217 HydrophobicContact CZ3-CG 4.29Å; W180-P219 HydrophobicContact CB-CB 4.14Å; W180-P219 HydrophobicContact CB-CG 4.26Å; W180-L222 HydrophobicContact CH2-CD1 4.41Å; W180-L222 HydrophobicContact CZ3-CD1 4.08Å
181	Y	95.1	Very high	81.2	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	29%	0.294	C	S	.	.			trans	-151.9	110.8	-179.3	-174.2	-129.1	0	0	0	111.1	V68 P70 V179 P183 L184 V198 L199 I202 E217	V68-Y181 HydrophobicContact CB-CD2 3.72Å; V68-Y181 HydrophobicContact CB-CE2 4.39Å; V68-Y181 HydrophobicContact CB-CG 4.14Å; V68-Y181 HydrophobicContact CG1-CD2 3.87Å; V68-Y181 HydrophobicContact CG1-CE2 4.04Å; V68-Y181 HydrophobicContact CG1-CG 4.5Å; P70-Y181 HydrophobicContact CG-CE2 4.01Å; V179-Y181 PolarHBondContact O-N 2.86Å; Y181-P183 HydrophobicContact CD1-CB 4.24Å; Y181-P183 HydrophobicContact CD1-CG 4.3Å; Y181-P183 HydrophobicContact CD2-CG 4.43Å; Y181-P183 HydrophobicContact CE1-CB 3.78Å; Y181-P183 HydrophobicContact CE1-CG 3.75Å; Y181-P183 HydrophobicContact CE2-CG 3.89Å; Y181-L184 HydrophobicContact CD1-CD1 4.12Å; Y181-L184 HydrophobicContact CD1-CG 4.02Å; Y181-L184 PolarHBondContact O-N 3.17Å; Y181-L184 VanDerWaalsContact O-N 3.08Å; Y181-V198 HydrophobicContact CE2-CG1 4.23Å; Y181-L199 HydrophobicContact CE1-CD1 4.03Å; Y181-L199 PolarHBondContact OH-N 3.3Å; Y181-I202 HydrophobicContact CD1-CB 4.23Å; Y181-I202 HydrophobicContact CD1-CG1 4.24Å; Y181-I202 HydrophobicContact CD1-CG2 4.02Å; Y181-I202 HydrophobicContact CE1-CB 4.31Å; Y181-I202 HydrophobicContact CE1-CG1 4.26Å; Y181-E217 PolarHBondContact N-O 2.91Å
182	S	90	Very high	80.8	Confident	13 Å²	13	64.7 Å²	64.7	9%	0.091	33%	0.33	C	S	.	.	H	α-helix	trans	-52.7	-43.7	-169.8	-27	0	0	0	0	113.4	L184 S185 N218 D220	S182-L184 PolarHBondContact O-N 3.39Å; S182-L184 VanDerWaalsContact O-N 3.12Å; S182-S185 PolarHBondContact O-N 3.41Å; S182-S185 PolarHBondContact O-OG 3.22Å; S182-N218 WeakPolarHBondContact CB-OD1 3.37Å; S182-N218 PolarHBondContact OG-OD1 2.79Å; S182-D220 WeakPolarHBondContact CB-OD2 3.28Å; S182-D220 PolarHBondContact OG-OD1 3.28Å; S182-D220 PolarHBondContact OG-OD2 3.32Å; S182-D220 VanDerWaalsContact OG-OD2 3.06Å
183	P	85.9	Confident	80.7	Confident	11 Å²	11	59.1 Å²	59.1	7%	0.071	30%	0.302	C	S	.	.	H	α-helix	trans	-57	-29.5	179.8	-31.1	39.8	0	0	0	116.3	Y181 F189 V190 L199	Y181-P183 HydrophobicContact CD1-CB 4.24Å; Y181-P183 HydrophobicContact CD1-CG 4.3Å; Y181-P183 HydrophobicContact CD2-CG 4.43Å; Y181-P183 HydrophobicContact CE1-CB 3.78Å; Y181-P183 HydrophobicContact CE1-CG 3.75Å; Y181-P183 HydrophobicContact CE2-CG 3.89Å; P183-F189 HydrophobicContact CB-CB 4.14Å; P183-F189 HydrophobicContact CG-CB 4.36Å; P183-V190 WeakPolarHBondContact O-CG2 3.39Å; P183-L199 HydrophobicContact CB-CD1 3.96Å
184	L	82	Confident	81.1	Confident	48 Å²	48	61.4 Å²	61.4	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-95.8	-3.5	-179.3	-63	179.2	0	0	0	113.1	Y181 S182 L199 I202 V203 F216	Y181-L184 HydrophobicContact CD1-CD1 4.12Å; Y181-L184 HydrophobicContact CD1-CG 4.02Å; Y181-L184 PolarHBondContact O-N 3.17Å; Y181-L184 VanDerWaalsContact O-N 3.08Å; S182-L184 PolarHBondContact O-N 3.39Å; S182-L184 VanDerWaalsContact O-N 3.12Å; L184-L199 HydrophobicContact CD2-CD1 3.78Å; L184-L199 HydrophobicContact CG-CD1 4.21Å; L184-I202 HydrophobicContact CD1-CB 4.32Å; L184-I202 HydrophobicContact CD1-CG2 3.51Å; L184-V203 HydrophobicContact CD1-CG2 4.26Å; L184-V203 HydrophobicContact CD2-CG2 3.83Å; L184-F216 HydrophobicContact CB-CB 4.44Å; L184-F216 HydrophobicContact CB-CD1 3.73Å; L184-F216 HydrophobicContact CB-CE1 4.21Å; L184-F216 HydrophobicContact CB-CG 4.05Å; L184-F216 HydrophobicContact CD1-CD1 3.83Å; L184-F216 HydrophobicContact CD1-CE1 3.42Å; L184-F216 VanDerWaalsContact CD1-CE1 3.42Å; L184-F216 HydrophobicContact CD1-CZ 3.98Å; L184-F216 HydrophobicContact CG-CD1 4.44Å; L184-F216 HydrophobicContact CG-CE1 4.46Å
185	S	74.9	Confident	81.7	Confident	47 Å²	47	55.5 Å²	55.5	33%	0.329	28%	0.276	S	S	.	.	H	α-helix	trans	-88.9	-19.9	175.7	73.4	0	0	0	0	113.2	S182 N218	S182-S185 PolarHBondContact O-N 3.41Å; S182-S185 PolarHBondContact O-OG 3.22Å; S185-N218 VanDerWaalsContact OG-CB 3.3Å; S185-N218 WeakPolarHBondContact OG-CB 3.26Å
186	S	66.1	Low	82.2	Confident	46 Å²	46	61 Å²	61	32%	0.322	30%	0.3	S	S	.	.	S	Bend	trans	-148.2	137.1	-178.4	167.3	0	0	0	0	112.1	N188 F189	S186-N188 VanDerWaalsContact C-N 3.27Å; S186-N188 PolarHBondContact O-N 2.94Å; S186-F189 PolarHBondContact O-N 2.96Å
187	K	62.8	Low	82.4	Confident	181 Å²	181	62.8 Å²	62.8	79%	0.787	30%	0.303	S	S	*	.	H	α-helix	trans	-56.9	-35.6	-176	-70.4	-174.7	177.6	-179.1	0	113.7	F189 V190	K187-F189 PolarHBondContact O-N 3Å; K187-V190 PolarHBondContact O-N 3.31Å
188	N	60.4	Low	82.6	Confident	129 Å²	129	62.8 Å²	62.8	69%	0.69	30%	0.303	S	S	*	.	H	α-helix	trans	-62.8	-31.2	-173.6	-68	-11.4	0	0	0	113.1	S186	S186-N188 VanDerWaalsContact C-N 3.27Å; S186-N188 PolarHBondContact O-N 2.94Å
189	F	60.7	Low	82.6	Confident	93 Å²	93	63.8 Å²	63.8	41%	0.408	31%	0.308	S	S	.	.	H	α-helix	trans	-83.9	-20.6	-176.4	-70	-75.8	0	0	0	113.2	P183 S186 K187 E191 R192	P183-F189 HydrophobicContact CB-CB 4.14Å; P183-F189 HydrophobicContact CG-CB 4.36Å; S186-F189 PolarHBondContact O-N 2.96Å; K187-F189 PolarHBondContact O-N 3Å; F189-E191 VanDerWaalsContact C-N 3.28Å; F189-E191 PolarHBondContact O-N 2.87Å; F189-R192 CarbonylContact O-C 3.51Å; F189-R192 PolarHBondContact O-N 3.39Å
190	V	69.9	Low	82.6	Confident	68 Å²	68	69.7 Å²	69.7	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-66.1	-33.8	175.8	-176.1	0	0	0	0	111.1	P183 K187 R192 L199	P183-V190 WeakPolarHBondContact O-CG2 3.39Å; K187-V190 PolarHBondContact O-N 3.31Å; V190-R192 VanDerWaalsContact C-N 3.34Å; V190-R192 PolarHBondContact O-N 2.85Å; V190-L199 HydrophobicContact CG1-CD2 4.33Å
191	E	73.6	Confident	82.6	Confident	164 Å²	164	71.6 Å²	71.6	77%	0.766	34%	0.342	S	S	*	.	S	Bend	trans	-72.8	-27	-178.1	-65.6	-173.6	175.6	0	0	113	F189	F189-E191 VanDerWaalsContact C-N 3.28Å; F189-E191 PolarHBondContact O-N 2.87Å
192	R	79.1	Confident	82.6	Confident	216 Å²	216	71.6 Å²	71.6	82%	0.815	34%	0.342	S	S	*	.	S	Bend	trans	-138.8	66.9	-178.3	-62.4	-175.3	-175.7	-177.1	1.3	110.5	F189 V190	F189-R192 CarbonylContact O-C 3.51Å; F189-R192 PolarHBondContact O-N 3.39Å; V190-R192 VanDerWaalsContact C-N 3.34Å; V190-R192 PolarHBondContact O-N 2.85Å
193	P	83.9	Confident	82.7	Confident	23 Å²	23	72.7 Å²	72.7	15%	0.149	35%	0.348	C	S	.	.			trans	-65.7	140.7	-179.7	29.5	-35.3	0	0	0	109.8	N195 K196 L199	P193-N195 PolarHBondContact O-N 3.41Å; P193-K196 HydrophobicContact CG-CB 4.46Å; P193-K196 HydrophobicContact CG-CG 3.75Å; P193-L199 HydrophobicContact CB-CB 3.98Å; P193-L199 HydrophobicContact CB-CD2 3.74Å; P193-L199 HydrophobicContact CB-CG 4.43Å; P193-L199 HydrophobicContact CG-CB 4.46Å; P193-L199 HydrophobicContact CG-CD2 3.76Å
194	L	87.1	Confident	83.1	Confident	63 Å²	63	75.2 Å²	75.2	33%	0.33	36%	0.359	S	S	.	.	S	Bend	trans	-54.7	-39	170.6	173	63	0	0	0	111.7	P70 D88	P70-L194 HydrophobicContact CG-CD2 3.93Å; D88-L194 HydrophobicContact CB-CD1 4.19Å; D88-L194 HydrophobicContact CB-CD2 3.55Å; D88-L194 HydrophobicContact CB-CG 4.43Å; D88-L194 VanDerWaalsContact CG-CD2 3.41Å; D88-L194 WeakPolarHBondContact OD2-CD2 3.49Å
195	N	93.9	Very high	83.7	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	35%	0.348	C	S	.	.			trans	-139	111.8	177.8	-168.7	-54.2	0	0	0	110.3	P70 A71 E73 P193 F197 V198 L199	P70-N195 HydrophobicContact CB-CB 3.91Å; A71-N195 PolarHBondContact O-ND2 3.42Å; A71-N195 VanDerWaalsContact O-ND2 3.11Å; E73-N195 HydrophobicContact CG-CB 4.22Å; E73-N195 PolarHBondContact OE1-OD1 3.39Å; P193-N195 PolarHBondContact O-N 3.41Å; N195-F197 WeakPolarHBondContact OD1-CB 3.2Å; N195-F197 PolarHBondContact OD1-N 3.23Å; N195-F197 VanDerWaalsContact OD1-N 3.17Å; N195-V198 HydrophobicContact CB-CB 4.13Å; N195-V198 HydrophobicContact CB-CG2 4.04Å; N195-V198 PolarHBondContact O-N 2.81Å; N195-V198 WeakPolarHBondContact OD1-CG2 3.28Å; N195-V198 PolarHBondContact OD1-N 3.38Å; N195-L199 PolarHBondContact O-N 2.7Å
196	K	92.6	Very high	84.5	Confident	138 Å²	138	71.9 Å²	71.9	60%	0.6	34%	0.339	S	S	*	.	H	α-helix	trans	-69.3	-38.1	-176.3	-65.6	170.5	-174.4	171.3	0	111.2	E73 P193 K200	E73-K196 WeakPolarHBondContact OE1-CB 3.47Å; E73-K196 PolarHBondContact OE1-N 3.19Å; P193-K196 HydrophobicContact CG-CB 4.46Å; P193-K196 HydrophobicContact CG-CG 3.75Å; K196-K200 WeakPolarHBondContact O-CB 3.43Å; K196-K200 PolarHBondContact O-N 3.19Å
197	F	94.8	Very high	85.8	Confident	75 Å²	75	78.9 Å²	78.9	33%	0.329	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-48.9	176	171.2	-100.3	0	0	0	110.6	E73 I103 L160 F163 N195 K200 K201	E73-F197 PolarHBondContact OE1-N 3.38Å; I103-F197 HydrophobicContact CD1-CE1 4.31Å; L160-F197 HydrophobicContact CD1-CE1 4.04Å; L160-F197 HydrophobicContact CG-CE1 4.35Å; F163-F197 AromaticContact CD1-CE1 3.92Å; F163-F197 HydrophobicContact CD1-CE1 3.92Å; F163-F197 HydrophobicContact CD1-CZ 4.43Å; N195-F197 WeakPolarHBondContact OD1-CB 3.2Å; N195-F197 PolarHBondContact OD1-N 3.23Å; N195-F197 VanDerWaalsContact OD1-N 3.17Å; F197-K200 PolarHBondContact O-N 3.08Å; F197-K201 HydrophobicContact CD2-CG 4.28Å; F197-K201 HydrophobicContact CE1-CG 4.16Å; F197-K201 HydrophobicContact CE2-CD 4.36Å; F197-K201 HydrophobicContact CE2-CG 3.88Å; F197-K201 HydrophobicContact CZ-CG 3.81Å; F197-K201 WeakPolarHBondContact O-CG 3.37Å; F197-K201 PolarHBondContact O-N 2.79Å
198	V	95.9	Very high	87.1	Confident	0 Å²	0	75 Å²	75	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-47.9	179.9	179.7	0	0	0	0	111.2	V68 P70 I103 Y181 N195 K200 K201 I202	V68-V198 HydrophobicContact CG1-CG1 3.73Å; P70-V198 HydrophobicContact CB-CB 4.2Å; P70-V198 HydrophobicContact CB-CG1 4.18Å; P70-V198 HydrophobicContact CB-CG2 3.96Å; I103-V198 HydrophobicContact CD1-CG2 3.57Å; I103-V198 HydrophobicContact CG1-CG2 3.64Å; Y181-V198 HydrophobicContact CE2-CG1 4.23Å; N195-V198 HydrophobicContact CB-CB 4.13Å; N195-V198 HydrophobicContact CB-CG2 4.04Å; N195-V198 PolarHBondContact O-N 2.81Å; N195-V198 WeakPolarHBondContact OD1-CG2 3.28Å; N195-V198 PolarHBondContact OD1-N 3.38Å; V198-K200 VanDerWaalsContact C-N 3.31Å; V198-K200 PolarHBondContact O-N 3.07Å; V198-K201 PolarHBondContact O-N 2.93Å; V198-K201 VanDerWaalsContact O-N 3.13Å; V198-I202 HydrophobicContact CG1-CG1 4.16Å; V198-I202 WeakPolarHBondContact O-CG1 3.25Å; V198-I202 PolarHBondContact O-N 3.48Å
199	L	94.5	Very high	88.4	Confident	20 Å²	20	69 Å²	69	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-53.9	-49.8	176.1	175.3	64.9	0	0	0	111.2	Y181 P183 L184 V190 P193 N195 K201 I202 V203	Y181-L199 HydrophobicContact CE1-CD1 4.03Å; Y181-L199 PolarHBondContact OH-N 3.3Å; P183-L199 HydrophobicContact CB-CD1 3.96Å; L184-L199 HydrophobicContact CD2-CD1 3.78Å; L184-L199 HydrophobicContact CG-CD1 4.21Å; V190-L199 HydrophobicContact CG1-CD2 4.33Å; P193-L199 HydrophobicContact CB-CB 3.98Å; P193-L199 HydrophobicContact CB-CD2 3.74Å; P193-L199 HydrophobicContact CB-CG 4.43Å; P193-L199 HydrophobicContact CG-CB 4.46Å; P193-L199 HydrophobicContact CG-CD2 3.76Å; N195-L199 PolarHBondContact O-N 2.7Å; L199-K201 VanDerWaalsContact C-N 3.3Å; L199-K201 PolarHBondContact O-N 2.87Å; L199-I202 PolarHBondContact O-N 3.02Å; L199-V203 HydrophobicContact CD1-CG2 4.04Å; L199-V203 HydrophobicContact CG-CG2 4.45Å; L199-V203 VanDerWaalsContact O-CG2 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.48Å; L199-V203 PolarHBondContact O-N 2.93Å
200	K	94.8	Very high	89.5	Confident	125 Å²	125	69.1 Å²	69.1	54%	0.543	32%	0.316	S	S	.	.	H	α-helix	trans	-56.4	-45.9	179	177.6	177.2	173.6	177.7	0	111.3	K196 F197 V198 V203 E204	K196-K200 WeakPolarHBondContact O-CB 3.43Å; K196-K200 PolarHBondContact O-N 3.19Å; F197-K200 PolarHBondContact O-N 3.08Å; V198-K200 VanDerWaalsContact C-N 3.31Å; V198-K200 PolarHBondContact O-N 3.07Å; K200-V203 PolarHBondContact O-N 3.18Å; K200-E204 WeakPolarHBondContact CE-OE1 3.46Å; K200-E204 WeakPolarHBondContact CG-OE1 3.31Å; K200-E204 IonicContact NZ-OE1 3.71Å; K200-E204 WeakPolarHBondContact O-CB 3.42Å; K200-E204 WeakPolarHBondContact O-CG 3.28Å; K200-E204 PolarHBondContact O-N 3.06Å
201	K	96.2	Very high	89.9	Confident	42 Å²	42	72.4 Å²	72.4	18%	0.183	33%	0.331	C	S	.	.	H	α-helix	trans	-68.4	-38.3	-178.7	-68.3	-47.5	-175.5	172.5	0	113.7	F163 S164 L167 F197 V198 L199 E204 F205	F163-K201 HydrophobicContact CD1-CB 4.06Å; F163-K201 HydrophobicContact CD1-CG 4.21Å; F163-K201 HydrophobicContact CE1-CB 3.72Å; F163-K201 HydrophobicContact CE1-CG 4.34Å; S164-K201 WeakPolarHBondContact OG-CD 3.33Å; S164-K201 WeakPolarHBondContact OG-CE 3.44Å; S164-K201 PolarHBondContact OG-NZ 3.33Å; L167-K201 HydrophobicContact CD1-CB 4.23Å; F197-K201 HydrophobicContact CD2-CG 4.28Å; F197-K201 HydrophobicContact CE1-CG 4.16Å; F197-K201 HydrophobicContact CE2-CD 4.36Å; F197-K201 HydrophobicContact CE2-CG 3.88Å; F197-K201 HydrophobicContact CZ-CG 3.81Å; F197-K201 WeakPolarHBondContact O-CG 3.37Å; F197-K201 PolarHBondContact O-N 2.79Å; V198-K201 PolarHBondContact O-N 2.93Å; V198-K201 VanDerWaalsContact O-N 3.13Å; L199-K201 VanDerWaalsContact C-N 3.3Å; L199-K201 PolarHBondContact O-N 2.87Å; K201-E204 WeakPolarHBondContact CD-OE2 3.37Å; K201-E204 IonicContact NZ-OE2 3.96Å; K201-E204 PolarHBondContact NZ-OE2 2.95Å; K201-E204 PolarHBondContact O-N 3.37Å; K201-F205 WeakPolarHBondContact O-CB 3.3Å; K201-F205 PolarHBondContact O-N 3.49Å
202	I	95.2	Very high	90.4	Very high	1 Å²	1	74 Å²	74	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-68.5	-36.8	175	-59.9	-59	0	0	0	111.4	V68 F163 L167 V179 Y181 L184 V198 L199 F205 S206 F216	V68-I202 HydrophobicContact CG1-CD1 4.32Å; V68-I202 HydrophobicContact CG1-CG1 4.37Å; V68-I202 HydrophobicContact CG2-CD1 3.8Å; V68-I202 HydrophobicContact CG2-CG1 4.4Å; F163-I202 HydrophobicContact CZ-CD1 4.03Å; L167-I202 HydrophobicContact CD1-CD1 3.88Å; L167-I202 HydrophobicContact CD2-CD1 4.23Å; V179-I202 HydrophobicContact CG1-CG2 4.12Å; Y181-I202 HydrophobicContact CD1-CB 4.23Å; Y181-I202 HydrophobicContact CD1-CG1 4.24Å; Y181-I202 HydrophobicContact CD1-CG2 4.02Å; Y181-I202 HydrophobicContact CE1-CB 4.31Å; Y181-I202 HydrophobicContact CE1-CG1 4.26Å; L184-I202 HydrophobicContact CD1-CB 4.32Å; L184-I202 HydrophobicContact CD1-CG2 3.51Å; V198-I202 HydrophobicContact CG1-CG1 4.16Å; V198-I202 WeakPolarHBondContact O-CG1 3.25Å; V198-I202 PolarHBondContact O-N 3.48Å; L199-I202 PolarHBondContact O-N 3.02Å; I202-F205 PolarHBondContact O-N 3.4Å; I202-S206 WeakPolarHBondContact O-CB 3.35Å; I202-S206 PolarHBondContact O-N 3.43Å; I202-F216 HydrophobicContact CG2-CE1 4.09Å
203	V	93.2	Very high	90.9	Very high	35 Å²	35	67 Å²	67	21%	0.212	31%	0.309	C	S	.	.	H	α-helix	trans	-67.5	-38.7	173.9	171.6	0	0	0	0	111.9	L184 L199 K200 S206 R207	L184-V203 HydrophobicContact CD1-CG2 4.26Å; L184-V203 HydrophobicContact CD2-CG2 3.83Å; L199-V203 HydrophobicContact CD1-CG2 4.04Å; L199-V203 HydrophobicContact CG-CG2 4.45Å; L199-V203 VanDerWaalsContact O-CG2 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.48Å; L199-V203 PolarHBondContact O-N 2.93Å; K200-V203 PolarHBondContact O-N 3.18Å; V203-S206 PolarHBondContact O-OG 3.28Å; V203-R207 WeakPolarHBondContact O-CG 3.41Å; V203-R207 PolarHBondContact O-N 3.1Å
204	E	94.4	Very high	91.2	Very high	65 Å²	65	66.8 Å²	66.8	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-47.4	173.3	-76	171.1	-177.4	0	0	110.9	K200 K201 S206 R207 Q208	K200-E204 WeakPolarHBondContact CE-OE1 3.46Å; K200-E204 WeakPolarHBondContact CG-OE1 3.31Å; K200-E204 IonicContact NZ-OE1 3.71Å; K200-E204 WeakPolarHBondContact O-CB 3.42Å; K200-E204 WeakPolarHBondContact O-CG 3.28Å; K200-E204 PolarHBondContact O-N 3.06Å; K201-E204 WeakPolarHBondContact CD-OE2 3.37Å; K201-E204 IonicContact NZ-OE2 3.96Å; K201-E204 PolarHBondContact NZ-OE2 2.95Å; K201-E204 PolarHBondContact O-N 3.37Å; E204-S206 VanDerWaalsContact C-N 3.34Å; E204-S206 PolarHBondContact O-N 3.12Å; E204-R207 PolarHBondContact O-N 3.27Å; E204-Q208 PolarHBondContact O-N 2.89Å
205	F	94.4	Very high	91.5	Very high	3 Å²	3	64.9 Å²	64.9	1%	0.013	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-44.3	175.7	168.6	-110.4	0	0	0	112.3	I66 L167 Q170 A171 I177 V179 K201 I202 R207 Q208 I209 I214	I66-F205 HydrophobicContact CD1-CE1 4.28Å; I66-F205 HydrophobicContact CD1-CZ 4.03Å; L167-F205 HydrophobicContact CB-CB 4.24Å; L167-F205 HydrophobicContact CB-CD2 3.8Å; L167-F205 HydrophobicContact CB-CE2 4.43Å; L167-F205 HydrophobicContact CB-CG 4.17Å; L167-F205 HydrophobicContact CD1-CB 4.09Å; L167-F205 HydrophobicContact CD1-CG 4.48Å; L167-F205 HydrophobicContact CD2-CD1 4.48Å; L167-F205 HydrophobicContact CD2-CD2 4.37Å; L167-F205 HydrophobicContact CD2-CG 4.3Å; L167-F205 WeakPolarHBondContact O-CD2 3.49Å; L167-F205 WeakPolarHBondContact O-CE2 3.38Å; Q170-F205 HydrophobicContact CB-CE2 3.98Å; Q170-F205 HydrophobicContact CB-CZ 4.24Å; A171-F205 HydrophobicContact CB-CD2 3.98Å; A171-F205 HydrophobicContact CB-CE2 3.77Å; I177-F205 HydrophobicContact CD1-CZ 4.32Å; V179-F205 HydrophobicContact CG2-CD1 4.46Å; V179-F205 HydrophobicContact CG2-CE1 3.8Å; K201-F205 WeakPolarHBondContact O-CB 3.3Å; K201-F205 PolarHBondContact O-N 3.49Å; I202-F205 PolarHBondContact O-N 3.4Å; F205-R207 VanDerWaalsContact C-N 3.27Å; F205-R207 PolarHBondContact O-N 3.47Å; F205-Q208 WeakPolarHBondContact O-CB 3.16Å; F205-Q208 PolarHBondContact O-N 2.87Å; F205-Q208 VanDerWaalsContact O-N 3.11Å; F205-I209 HydrophobicContact CD1-CD1 4.22Å; F205-I209 HydrophobicContact CD2-CD1 4.06Å; F205-I209 HydrophobicContact CE1-CD1 3.65Å; F205-I209 HydrophobicContact CE2-CD1 3.48Å; F205-I209 VanDerWaalsContact CE2-CD1 3.48Å; F205-I209 HydrophobicContact CG-CD1 4.42Å; F205-I209 HydrophobicContact CZ-CD1 3.25Å; F205-I214 HydrophobicContact CD1-CD1 4.44Å; F205-I214 HydrophobicContact CE1-CD1 4.19Å
206	S	92	Very high	91.5	Very high	21 Å²	21	67.6 Å²	67.6	15%	0.147	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-37.1	-178.7	78.6	0	0	0	0	112.6	I202 V203 E204 Q208 I209	I202-S206 WeakPolarHBondContact O-CB 3.35Å; I202-S206 PolarHBondContact O-N 3.43Å; V203-S206 PolarHBondContact O-OG 3.28Å; E204-S206 VanDerWaalsContact C-N 3.34Å; E204-S206 PolarHBondContact O-N 3.12Å; S206-Q208 VanDerWaalsContact C-N 3.27Å; S206-Q208 PolarHBondContact O-N 3.36Å; S206-I209 PolarHBondContact O-N 2.65Å; S206-I209 VanDerWaalsContact O-O 3.09Å
207	R	91.7	Very high	91.5	Very high	193 Å²	193	64.4 Å²	64.4	73%	0.728	30%	0.298	S	S	*	.	H	α-helix	trans	-70.4	-21.2	178.8	-70.2	171	178.7	167.9	0.5	113.6	V203 E204 F205 I209	V203-R207 WeakPolarHBondContact O-CG 3.41Å; V203-R207 PolarHBondContact O-N 3.1Å; E204-R207 PolarHBondContact O-N 3.27Å; F205-R207 VanDerWaalsContact C-N 3.27Å; F205-R207 PolarHBondContact O-N 3.47Å; R207-I209 VanDerWaalsContact C-N 3.27Å
208	Q	90.5	Very high	91.5	Very high	99 Å²	99	62.8 Å²	62.8	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-77.7	-18.7	175.3	-62.5	177.2	15.6	0	0	111.9	D168 A171 E204 F205 S206	D168-Q208 PolarHBondContact OD1-NE2 3.31Å; D168-Q208 PolarHBondContact OD1-OE1 3.08Å; A171-Q208 HydrophobicContact CB-CB 4.16Å; E204-Q208 PolarHBondContact O-N 2.89Å; F205-Q208 WeakPolarHBondContact O-CB 3.16Å; F205-Q208 PolarHBondContact O-N 2.87Å; F205-Q208 VanDerWaalsContact O-N 3.11Å; S206-Q208 VanDerWaalsContact C-N 3.27Å; S206-Q208 PolarHBondContact O-N 3.36Å
209	I	88	Confident	91.5	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	29%	0.293	C	S	.	.	S	Bend	trans	-100.5	141.8	-178.3	-63.1	161.7	0	0	0	108.7	A171 I177 F205 S206 R207 D211 R213 I214	A171-I209 HydrophobicContact CB-CD1 4.29Å; A171-I209 HydrophobicContact CB-CG1 3.98Å; I177-I209 HydrophobicContact CD1-CD1 3.84Å; F205-I209 HydrophobicContact CD1-CD1 4.22Å; F205-I209 HydrophobicContact CD2-CD1 4.06Å; F205-I209 HydrophobicContact CE1-CD1 3.65Å; F205-I209 HydrophobicContact CE2-CD1 3.48Å; F205-I209 VanDerWaalsContact CE2-CD1 3.48Å; F205-I209 HydrophobicContact CG-CD1 4.42Å; F205-I209 HydrophobicContact CZ-CD1 3.25Å; S206-I209 PolarHBondContact O-N 2.65Å; S206-I209 VanDerWaalsContact O-O 3.09Å; R207-I209 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 3.06Å; I209-R213 HydrophobicContact CG2-CB 3.89Å; I209-I214 HydrophobicContact CB-CB 4.32Å; I209-I214 HydrophobicContact CB-CG2 4.44Å; I209-I214 HydrophobicContact CD1-CD1 3.93Å; I209-I214 HydrophobicContact CG2-CB 3.78Å; I209-I214 HydrophobicContact CG2-CG2 4.15Å
210	N	83.5	Confident	91.5	Very high	95 Å²	95	63.2 Å²	63.2	51%	0.508	30%	0.295	S	S	.	.			trans	-61.3	130	173.5	-175.5	-41.8	0	0	0	109.3	K212 R213 I214	N210-K212 PolarHBondContact O-N 2.86Å; N210-K212 PolarHBondContact OD1-N 3.02Å; N210-R213 HydrophobicContact CB-CG 4.46Å; N210-R213 WeakPolarHBondContact O-CA 3.49Å; N210-R213 PolarHBondContact O-N 2.68Å; N210-I214 PolarHBondContact O-N 2.91Å
211	D	78.6	Confident	91.5	Very high	136 Å²	136	62.7 Å²	62.7	73%	0.727	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-28.2	-178.6	-70.1	-19.4	0	0	0	113.6	I209 R213	I209-D211 PolarHBondContact O-N 3.06Å; D211-R213 VanDerWaalsContact C-N 3.29Å; D211-R213 PolarHBondContact O-N 2.96Å
212	K	83.4	Confident	91.6	Very high	198 Å²	198	61.1 Å²	61.1	86%	0.861	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.9	176.1	-64.7	-174.4	178.8	-177.8	0	114.4	N210	N210-K212 PolarHBondContact O-N 2.86Å; N210-K212 PolarHBondContact OD1-N 3.02Å
213	R	89.6	Confident	91.8	Very high	69 Å²	69	61.1 Å²	61.1	26%	0.26	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-10.2	-178.6	-65.9	-165.5	-59.6	108.9	-6.8	113.3	S173 T174 Q175 S176 I177 I209 N210 D211	S173-R213 PolarHBondContact O-NH1 2.9Å; T174-R213 WeakPolarHBondContact O-CD 3.42Å; Q175-R213 PolarHBondContact O-NH1 2.71Å; S176-R213 CarbonylContact C-O 3.58Å; S176-R213 VanDerWaalsContact CA-O 3.31Å; S176-R213 WeakPolarHBondContact CA-O 3.39Å; I177-R213 PolarHBondContact N-O 2.94Å; I209-R213 HydrophobicContact CG2-CB 3.89Å; N210-R213 HydrophobicContact CB-CG 4.46Å; N210-R213 WeakPolarHBondContact O-CA 3.49Å; N210-R213 PolarHBondContact O-N 2.68Å; D211-R213 VanDerWaalsContact C-N 3.29Å; D211-R213 PolarHBondContact O-N 2.96Å
214	I	92	Very high	92	Very high	19 Å²	19	63.4 Å²	63.4	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.6	-179.5	-168.3	167.8	0	0	0	111.2	I177 V179 F205 I209 N210 F216	I177-I214 CarbonylContact O-C 3.51Å; I177-I214 VanDerWaalsContact O-CA 3.31Å; I177-I214 WeakPolarHBondContact O-CA 3.42Å; V179-I214 HydrophobicContact CG2-CD1 4.1Å; V179-I214 HydrophobicContact CG2-CG1 4.39Å; F205-I214 HydrophobicContact CD1-CD1 4.44Å; F205-I214 HydrophobicContact CE1-CD1 4.19Å; I209-I214 HydrophobicContact CB-CB 4.32Å; I209-I214 HydrophobicContact CB-CG2 4.44Å; I209-I214 HydrophobicContact CD1-CD1 3.93Å; I209-I214 HydrophobicContact CG2-CB 3.78Å; I209-I214 HydrophobicContact CG2-CG2 4.15Å; N210-I214 PolarHBondContact O-N 2.91Å; I214-F216 HydrophobicContact CD1-CE1 4.34Å; I214-F216 HydrophobicContact CD1-CE2 4.02Å; I214-F216 HydrophobicContact CD1-CZ 3.57Å; I214-F216 HydrophobicContact CG1-CE2 4Å; I214-F216 HydrophobicContact CG1-CZ 3.98Å; I214-F216 HydrophobicContact CG2-CE2 4.49Å
215	S	92.5	Very high	92.1	Very high	23 Å²	23	62.1 Å²	62.1	16%	0.161	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	157.9	169	64.3	0	0	0	0	111.1	N60 I177 C178 V179	N60-S215 PolarHBondContact ND2-OG 3.31Å; I177-S215 PolarHBondContact O-N 3.29Å; C178-S215 WeakPolarHBondContact CA-O 3.22Å; C178-S215 WeakPolarHBondContact CB-OG 3.19Å; V179-S215 PolarHBondContact N-O 3.33Å
216	F	93.1	Very high	92.3	Very high	57 Å²	57	62.6 Å²	62.6	25%	0.25	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.8	-180	-67.9	-82.8	0	0	0	111.1	V179 L184 I202 I214	V179-F216 HydrophobicContact CB-CD1 3.81Å; V179-F216 HydrophobicContact CB-CE1 3.73Å; V179-F216 HydrophobicContact CG1-CD1 4.2Å; V179-F216 HydrophobicContact CG1-CE1 4.04Å; V179-F216 HydrophobicContact CG2-CE1 4.2Å; V179-F216 VanDerWaalsContact O-CA 3.29Å; V179-F216 WeakPolarHBondContact O-CA 3.44Å; L184-F216 HydrophobicContact CB-CB 4.44Å; L184-F216 HydrophobicContact CB-CD1 3.73Å; L184-F216 HydrophobicContact CB-CE1 4.21Å; L184-F216 HydrophobicContact CB-CG 4.05Å; L184-F216 HydrophobicContact CD1-CD1 3.83Å; L184-F216 HydrophobicContact CD1-CE1 3.42Å; L184-F216 VanDerWaalsContact CD1-CE1 3.42Å; L184-F216 HydrophobicContact CD1-CZ 3.98Å; L184-F216 HydrophobicContact CG-CD1 4.44Å; L184-F216 HydrophobicContact CG-CE1 4.46Å; I202-F216 HydrophobicContact CG2-CE1 4.09Å; I214-F216 HydrophobicContact CD1-CE1 4.34Å; I214-F216 HydrophobicContact CD1-CE2 4.02Å; I214-F216 HydrophobicContact CD1-CZ 3.57Å; I214-F216 HydrophobicContact CG1-CE2 4Å; I214-F216 HydrophobicContact CG1-CZ 3.98Å; I214-F216 HydrophobicContact CG2-CE2 4.49Å
217	E	94.2	Very high	92.6	Very high	71 Å²	71	65.4 Å²	65.4	33%	0.332	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.4	178.7	-71.8	-67.4	170.4	0	0	111.7	M58 V179 W180 Y181	M58-E217 HydrophobicContact CE-CG 3.59Å; V179-E217 PolarHBondContact O-N 2.85Å; W180-E217 CarbonylContact C-O 3.54Å; W180-E217 WeakPolarHBondContact CA-O 3.36Å; W180-E217 HydrophobicContact CD2-CB 3.66Å; W180-E217 HydrophobicContact CD2-CG 4.46Å; W180-E217 HydrophobicContact CE3-CB 3.35Å; W180-E217 HydrophobicContact CE3-CG 4.29Å; W180-E217 HydrophobicContact CG-CB 4.24Å; W180-E217 HydrophobicContact CH2-CB 4.34Å; W180-E217 HydrophobicContact CH2-CG 4.48Å; W180-E217 HydrophobicContact CZ3-CB 3.71Å; W180-E217 HydrophobicContact CZ3-CG 4.29Å; Y181-E217 PolarHBondContact N-O 2.91Å
218	N	93.8	Very high	92.9	Very high	41 Å²	41	62 Å²	62	22%	0.219	30%	0.299	C	S	.	.			trans	-95.2	116	175	-168.7	-7.6	0	0	0	110.9	S182 S185 D220 Y221	S182-N218 WeakPolarHBondContact CB-OD1 3.37Å; S182-N218 PolarHBondContact OG-OD1 2.79Å; S185-N218 VanDerWaalsContact OG-CB 3.3Å; S185-N218 WeakPolarHBondContact OG-CB 3.26Å; N218-D220 VanDerWaalsContact OD1-CB 3.25Å; N218-D220 WeakPolarHBondContact OD1-CB 3.32Å; N218-D220 PolarHBondContact OD1-N 2.97Å; N218-D220 PolarHBondContact OD1-OD2 2.76Å; N218-Y221 WeakPolarHBondContact O-CD1 3.46Å; N218-Y221 WeakPolarHBondContact O-CE1 3.35Å
219	P	95.9	Very high	93.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.307	C	S	.	.			trans	-78.4	-15.5	174.3	31.9	-34.1	0	0	0	113.9	F47 V67 I69 W180 Y221 L222 I223	F47-P219 HydrophobicContact CE2-CB 4.5Å; F47-P219 HydrophobicContact CZ-CB 4.16Å; V67-P219 HydrophobicContact CG1-CB 4.13Å; V67-P219 HydrophobicContact CG1-CG 4.39Å; I69-P219 HydrophobicContact CD1-CG 4.39Å; W180-P219 HydrophobicContact CB-CB 4.14Å; W180-P219 HydrophobicContact CB-CG 4.26Å; P219-Y221 VanDerWaalsContact C-N 3.34Å; P219-Y221 PolarHBondContact O-N 3.01Å; P219-L222 WeakPolarHBondContact O-CB 3.49Å; P219-L222 PolarHBondContact O-N 2.9Å; P219-I223 HydrophobicContact CB-CD1 4.13Å; P219-I223 HydrophobicContact CG-CD1 4.38Å; P219-I223 WeakPolarHBondContact O-CG1 3.47Å; P219-I223 PolarHBondContact O-N 2.94Å; P219-I223 VanDerWaalsContact O-N 3.15Å
220	D	94.5	Very high	93.8	Very high	30 Å²	30	67.1 Å²	67.1	16%	0.16	32%	0.324	C	S	.	.	H	α-helix	trans	-57.5	-42.8	-166.1	-67.3	-18	0	0	0	112.9	S182 N218 L222 I223 D224	S182-D220 WeakPolarHBondContact CB-OD2 3.28Å; S182-D220 PolarHBondContact OG-OD1 3.28Å; S182-D220 PolarHBondContact OG-OD2 3.32Å; S182-D220 VanDerWaalsContact OG-OD2 3.06Å; N218-D220 VanDerWaalsContact OD1-CB 3.25Å; N218-D220 WeakPolarHBondContact OD1-CB 3.32Å; N218-D220 PolarHBondContact OD1-N 2.97Å; N218-D220 PolarHBondContact OD1-OD2 2.76Å; D220-L222 PolarHBondContact O-N 3.07Å; D220-I223 CarbonylContact O-C 3.38Å; D220-I223 PolarHBondContact O-N 2.94Å; D220-I223 VanDerWaalsContact O-N 3.1Å; D220-D224 WeakPolarHBondContact O-CB 3.47Å; D220-D224 VanDerWaalsContact O-CG 3.25Å; D220-D224 PolarHBondContact O-N 2.91Å
221	Y	95.5	Very high	94.5	Very high	114 Å²	114	64.1 Å²	64.1	45%	0.447	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-30.1	-179.3	76.2	-85.3	0	0	0	112.7	C54 N218 P219 S225	C54-Y221 PolarHBondContact SG-OH 2.8Å; N218-Y221 WeakPolarHBondContact O-CD1 3.46Å; N218-Y221 WeakPolarHBondContact O-CE1 3.35Å; P219-Y221 VanDerWaalsContact C-N 3.34Å; P219-Y221 PolarHBondContact O-N 3.01Å; Y221-S225 WeakPolarHBondContact O-CB 3.37Å; Y221-S225 PolarHBondContact O-N 3.37Å; Y221-S225 VanDerWaalsContact O-N 3.08Å
222	L	98	Very high	95.4	Very high	9 Å²	9	64.7 Å²	64.7	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-73.3	-43.4	175	-60.9	-180	0	0	0	110.6	F47 K50 V51 W180 P219 D220 S225 I226	F47-L222 HydrophobicContact CD2-CB 4.38Å; F47-L222 HydrophobicContact CE2-CB 4Å; K50-L222 HydrophobicContact CB-CD2 4.19Å; V51-L222 HydrophobicContact CB-CD1 4.49Å; V51-L222 HydrophobicContact CG2-CD1 3.8Å; W180-L222 HydrophobicContact CH2-CD1 4.41Å; W180-L222 HydrophobicContact CZ3-CD1 4.08Å; P219-L222 WeakPolarHBondContact O-CB 3.49Å; P219-L222 PolarHBondContact O-N 2.9Å; D220-L222 PolarHBondContact O-N 3.07Å; L222-S225 PolarHBondContact O-N 2.88Å; L222-S225 PolarHBondContact O-OG 3.08Å; L222-I226 PolarHBondContact O-N 2.83Å
223	I	98.1	Very high	96.1	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-42.8	177	-55	167.5	0	0	0	110.5	F47 I69 N90 F94 P219 D220 S225 I226 R227	F47-I223 HydrophobicContact CD2-CG1 4Å; F47-I223 HydrophobicContact CE2-CD1 4.35Å; F47-I223 HydrophobicContact CE2-CG1 3.48Å; F47-I223 VanDerWaalsContact CE2-CG1 3.48Å; F47-I223 HydrophobicContact CZ-CG1 4.12Å; I69-I223 HydrophobicContact CD1-CD1 3.61Å; N90-I223 HydrophobicContact CB-CD1 4.35Å; N90-I223 HydrophobicContact CB-CG2 4.17Å; N90-I223 VanDerWaalsContact OD1-CG2 3.31Å; N90-I223 WeakPolarHBondContact OD1-CG2 3.35Å; F94-I223 HydrophobicContact CE2-CD1 4.15Å; F94-I223 HydrophobicContact CE2-CG1 3.99Å; F94-I223 HydrophobicContact CE2-CG2 3.91Å; F94-I223 HydrophobicContact CZ-CG1 4.13Å; F94-I223 HydrophobicContact CZ-CG2 4.07Å; P219-I223 HydrophobicContact CB-CD1 4.13Å; P219-I223 HydrophobicContact CG-CD1 4.38Å; P219-I223 WeakPolarHBondContact O-CG1 3.47Å; P219-I223 PolarHBondContact O-N 2.94Å; P219-I223 VanDerWaalsContact O-N 3.15Å; D220-I223 CarbonylContact O-C 3.38Å; D220-I223 PolarHBondContact O-N 2.94Å; D220-I223 VanDerWaalsContact O-N 3.1Å; I223-S225 VanDerWaalsContact C-N 3.3Å; I223-S225 PolarHBondContact O-N 3.45Å; I223-I226 WeakPolarHBondContact O-CG1 3.28Å; I223-I226 PolarHBondContact O-N 2.72Å; I223-R227 HydrophobicContact CG2-CG 4.28Å; I223-R227 WeakPolarHBondContact O-CB 3.16Å; I223-R227 WeakPolarHBondContact O-CG 3.37Å; I223-R227 PolarHBondContact O-N 3.49Å
224	D	97.6	Very high	96.5	Very high	83 Å²	83	54 Å²	54	44%	0.444	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-39.4	176.8	-71.6	-19.5	0	0	0	110.9	D220 I226 R227 L228	D220-D224 WeakPolarHBondContact O-CB 3.47Å; D220-D224 VanDerWaalsContact O-CG 3.25Å; D220-D224 PolarHBondContact O-N 2.91Å; D224-I226 VanDerWaalsContact C-N 3.29Å; D224-I226 PolarHBondContact O-N 3.37Å; D224-R227 PolarHBondContact O-N 2.87Å; D224-L228 WeakPolarHBondContact O-CB 3.19Å; D224-L228 PolarHBondContact O-N 3.25Å
225	S	98.1	Very high	96.8	Very high	39 Å²	39	56.2 Å²	56.2	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-34.1	178.5	81.1	0	0	0	0	113.3	K50 Y221 L222 I223	K50-S225 WeakPolarHBondContact CD-OG 3.45Å; K50-S225 WeakPolarHBondContact CE-OG 3.21Å; K50-S225 PolarHBondContact NZ-OG 3.39Å; Y221-S225 WeakPolarHBondContact O-CB 3.37Å; Y221-S225 PolarHBondContact O-N 3.37Å; Y221-S225 VanDerWaalsContact O-N 3.08Å; L222-S225 PolarHBondContact O-N 2.88Å; L222-S225 PolarHBondContact O-OG 3.08Å; I223-S225 VanDerWaalsContact C-N 3.3Å; I223-S225 PolarHBondContact O-N 3.45Å
226	I	98.2	Very high	97	Very high	12 Å²	12	61.7 Å²	61.7	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-81.5	-38.5	176.3	63.2	177.7	0	0	0	111.1	I46 F47 K50 Y93 F94 L222 I223 D224 L228 I229	I46-I226 HydrophobicContact CG2-CB 4.47Å; I46-I226 HydrophobicContact CG2-CG2 3.56Å; F47-I226 HydrophobicContact CB-CD1 3.85Å; F47-I226 HydrophobicContact CD2-CD1 4.25Å; F47-I226 HydrophobicContact CG-CD1 4.44Å; K50-I226 HydrophobicContact CD-CG2 3.53Å; Y93-I226 HydrophobicContact CD1-CD1 4.4Å; Y93-I226 HydrophobicContact CE1-CD1 3.62Å; Y93-I226 HydrophobicContact CE1-CG1 3.92Å; F94-I226 HydrophobicContact CE1-CD1 3.73Å; F94-I226 HydrophobicContact CZ-CD1 3.72Å; L222-I226 PolarHBondContact O-N 2.83Å; I223-I226 WeakPolarHBondContact O-CG1 3.28Å; I223-I226 PolarHBondContact O-N 2.72Å; D224-I226 VanDerWaalsContact C-N 3.29Å; D224-I226 PolarHBondContact O-N 3.37Å; I226-L228 PolarHBondContact O-N 3.26Å; I226-I229 PolarHBondContact O-N 2.86Å
227	R	98.3	Very high	97.2	Very high	80 Å²	80	59.6 Å²	59.6	30%	0.302	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-21.7	175.5	-72.9	176.7	66.1	-151.8	-7.7	112.2	N90 Y93 I223 D224 K230	N90-R227 WeakPolarHBondContact OD1-CD 3.4Å; N90-R227 PolarHBondContact OD1-NH1 3.32Å; Y93-R227 HydrophobicContact CD1-CG 4.06Å; Y93-R227 HydrophobicContact CD2-CG 3.86Å; Y93-R227 HydrophobicContact CE1-CG 4Å; Y93-R227 HydrophobicContact CE2-CG 3.79Å; Y93-R227 HydrophobicContact CG-CG 3.98Å; I223-R227 HydrophobicContact CG2-CG 4.28Å; I223-R227 WeakPolarHBondContact O-CB 3.16Å; I223-R227 WeakPolarHBondContact O-CG 3.37Å; I223-R227 PolarHBondContact O-N 3.49Å; D224-R227 PolarHBondContact O-N 2.87Å; R227-K230 WeakPolarHBondContact O-CD 3.25Å; R227-K230 WeakPolarHBondContact O-CE 3.48Å; R227-K230 PolarHBondContact O-NZ 2.9Å
228	L	98.3	Very high	97.4	Very high	121 Å²	121	58.4 Å²	58.4	63%	0.634	29%	0.287	S	S	*	.	H	α-helix	trans	-62.1	-43.4	177.2	-176.2	62.1	0	0	0	111.3	D224 I226 K230	D224-L228 WeakPolarHBondContact O-CB 3.19Å; D224-L228 PolarHBondContact O-N 3.25Å; I226-L228 PolarHBondContact O-N 3.26Å; L228-K230 VanDerWaalsContact O-CD 3.28Å; L228-K230 WeakPolarHBondContact O-CD 3.4Å; L228-K230 PolarHBondContact O-NZ 2.74Å
229	I	98.1	Very high	97.6	Very high	125 Å²	125	62.9 Å²	62.9	64%	0.641	31%	0.305	S	S	*	.	S	Bend	trans	-95.2	110.1	-177.2	-50.5	-56.4	0	0	0	109.7	I226	I226-I229 PolarHBondContact O-N 2.86Å
230	K	98.2	Very high	97.6	Very high	88 Å²	88	65.3 Å²	65.3	38%	0.383	32%	0.32	S	S	.	.			trans	-82.1	134.3	-172.6	-81.7	54.9	171.2	175.7	0	111.2	R227 L228 E234 I235 L238	R227-K230 WeakPolarHBondContact O-CD 3.25Å; R227-K230 WeakPolarHBondContact O-CE 3.48Å; R227-K230 PolarHBondContact O-NZ 2.9Å; L228-K230 VanDerWaalsContact O-CD 3.28Å; L228-K230 WeakPolarHBondContact O-CD 3.4Å; L228-K230 PolarHBondContact O-NZ 2.74Å; K230-E234 WeakPolarHBondContact CA-OE2 3.16Å; K230-E234 HydrophobicContact CB-CB 4Å; K230-E234 HydrophobicContact CG-CB 4.02Å; K230-I235 HydrophobicContact CB-CG1 3.89Å; K230-L238 HydrophobicContact CG-CD1 3.93Å
231	S	98.1	Very high	97.8	Very high	32 Å²	32	63.9 Å²	63.9	22%	0.224	31%	0.312	C	S	.	.			trans	-72.2	167.7	169	92.4	0	0	0	0	112	E39 Y233 E234 I235	E39-S231 WeakPolarHBondContact OE1-CB 3.41Å; E39-S231 PolarHBondContact OE1-OG 3.26Å; E39-S231 PolarHBondContact OE2-OG 3.19Å; E39-S231 VanDerWaalsContact OE2-OG 3.1Å; S231-Y233 PolarHBondContact O-N 3.17Å; S231-Y233 PolarHBondContact OG-N 3.35Å; S231-E234 PolarHBondContact N-OE2 3.36Å; S231-E234 PolarHBondContact O-N 3.04Å; S231-E234 VanDerWaalsContact O-N 3.12Å; S231-E234 WeakPolarHBondContact OG-CG 3.4Å; S231-E234 PolarHBondContact OG-N 3.38Å; S231-I235 WeakPolarHBondContact O-CG1 3.46Å; S231-I235 PolarHBondContact O-N 2.91Å
232	N	98	Very high	97.9	Very high	147 Å²	147	61.4 Å²	61.4	79%	0.786	31%	0.308	S	S	*	.	H	α-helix	trans	-58.8	-34.4	174	-73.9	-31.4	0	0	0	112.6	K236	N232-K236 PolarHBondContact O-N 3.37Å
233	Y	97.1	Very high	97.9	Very high	37 Å²	37	66.1 Å²	66.1	15%	0.145	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-49.5	174.2	169.5	-97.4	0	0	0	110.1	S33 V35 P36 E39 S231 I235 K236 Q237 Y321	S33-Y233 PolarHBondContact OG-OH 3.4Å; V35-Y233 HydrophobicContact CB-CE1 4.31Å; V35-Y233 HydrophobicContact CG1-CD1 4.31Å; V35-Y233 HydrophobicContact CG1-CE1 3.78Å; V35-Y233 HydrophobicContact CG2-CE1 4.08Å; P36-Y233 HydrophobicContact CG-CD2 3.95Å; P36-Y233 HydrophobicContact CG-CE2 4.09Å; E39-Y233 HydrophobicContact CG-CD1 3.98Å; E39-Y233 HydrophobicContact CG-CG 4.31Å; S231-Y233 PolarHBondContact O-N 3.17Å; S231-Y233 PolarHBondContact OG-N 3.35Å; Y233-I235 PolarHBondContact O-N 3.14Å; Y233-K236 WeakPolarHBondContact O-CB 3.46Å; Y233-K236 PolarHBondContact O-N 3.47Å; Y233-K236 VanDerWaalsContact O-N 3.08Å; Y233-Q237 HydrophobicContact CD1-CG 4.34Å; Y233-Q237 HydrophobicContact CE1-CG 3.87Å; Y233-Q237 HydrophobicContact CE2-CG 4.21Å; Y233-Q237 WeakPolarHBondContact O-CG 3.19Å; Y233-Q237 PolarHBondContact O-N 2.83Å; Y233-Q237 VanDerWaalsContact O-N 3.14Å; Y233-Q237 PolarHBondContact OH-NE2 2.71Å; Y233-Y321 HydrophobicContact CE1-CE2 4.42Å
234	E	97.8	Very high	97.9	Very high	6 Å²	6	66.4 Å²	66.4	3%	0.028	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-42	-178.3	-52.9	-166.4	88.1	0	0	112.5	R43 Y93 K230 S231 K236 Q237 L238 Y321	R43-E234 IonicContact NH2-OE1 2.7Å; Y93-E234 WeakPolarHBondContact CE2-OE1 3.41Å; K230-E234 WeakPolarHBondContact CA-OE2 3.16Å; K230-E234 HydrophobicContact CB-CB 4Å; K230-E234 HydrophobicContact CG-CB 4.02Å; S231-E234 PolarHBondContact N-OE2 3.36Å; S231-E234 PolarHBondContact O-N 3.04Å; S231-E234 VanDerWaalsContact O-N 3.12Å; S231-E234 WeakPolarHBondContact OG-CG 3.4Å; S231-E234 PolarHBondContact OG-N 3.38Å; E234-K236 PolarHBondContact O-N 2.95Å; E234-Q237 PolarHBondContact O-N 3.3Å; E234-Q237 VanDerWaalsContact O-N 3.14Å; E234-L238 PolarHBondContact O-N 3.41Å; E234-Y321 HydrophobicContact CB-CD1 4.46Å; E234-Y321 HydrophobicContact CB-CE1 3.63Å; E234-Y321 HydrophobicContact CG-CE1 3.91Å; E234-Y321 WeakPolarHBondContact CG-OH 3.31Å; E234-Y321 VanDerWaalsContact OE1-CE1 3.26Å; E234-Y321 WeakPolarHBondContact OE1-CE1 3.47Å; E234-Y321 PolarHBondContact OE1-OH 2.99Å
235	I	98.4	Very high	97.9	Very high	65 Å²	65	62.5 Å²	62.5	33%	0.333	31%	0.314	S	S	.	.	H	α-helix	trans	-58	-39	175	-68.6	168.2	0	0	0	110.6	K230 S231 Y233 K239	K230-I235 HydrophobicContact CB-CG1 3.89Å; S231-I235 WeakPolarHBondContact O-CG1 3.46Å; S231-I235 PolarHBondContact O-N 2.91Å; Y233-I235 PolarHBondContact O-N 3.14Å; I235-K239 HydrophobicContact CG2-CD 4.16Å; I235-K239 HydrophobicContact CG2-CG 4.46Å; I235-K239 WeakPolarHBondContact O-CB 3.33Å; I235-K239 VanDerWaalsContact O-CG 3.29Å; I235-K239 WeakPolarHBondContact O-CG 3.41Å; I235-K239 PolarHBondContact O-N 3.25Å
236	K	97.6	Very high	97.9	Very high	139 Å²	139	63.1 Å²	63.1	60%	0.604	32%	0.316	S	S	*	.	H	α-helix	trans	-66	-41.1	177.2	-171.1	-177.3	-177.7	-175.4	0	112.1	N232 Y233 E234 K239 T240	N232-K236 PolarHBondContact O-N 3.37Å; Y233-K236 WeakPolarHBondContact O-CB 3.46Å; Y233-K236 PolarHBondContact O-N 3.47Å; Y233-K236 VanDerWaalsContact O-N 3.08Å; E234-K236 PolarHBondContact O-N 2.95Å; K236-K239 PolarHBondContact O-N 3.28Å; K236-T240 PolarHBondContact O-N 3.05Å; K236-T240 VanDerWaalsContact O-N 3.08Å; K236-T240 PolarHBondContact O-OG1 2.8Å
237	Q	96.9	Very high	98	Very high	12 Å²	12	65.7 Å²	65.7	6%	0.056	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-44.6	177	-53.3	-53.1	80.9	0	0	111.1	S33 Y233 E234 K239 T240 S241 N319 Y321	S33-Q237 PolarHBondContact OG-NE2 3.11Å; Y233-Q237 HydrophobicContact CD1-CG 4.34Å; Y233-Q237 HydrophobicContact CE1-CG 3.87Å; Y233-Q237 HydrophobicContact CE2-CG 4.21Å; Y233-Q237 WeakPolarHBondContact O-CG 3.19Å; Y233-Q237 PolarHBondContact O-N 2.83Å; Y233-Q237 VanDerWaalsContact O-N 3.14Å; Y233-Q237 PolarHBondContact OH-NE2 2.71Å; E234-Q237 PolarHBondContact O-N 3.3Å; E234-Q237 VanDerWaalsContact O-N 3.14Å; Q237-K239 PolarHBondContact O-N 3.11Å; Q237-T240 WeakPolarHBondContact O-CB 3.48Å; Q237-T240 PolarHBondContact O-N 2.81Å; Q237-T240 VanDerWaalsContact O-N 3.16Å; Q237-S241 PolarHBondContact O-N 2.89Å; Q237-N319 PolarHBondContact NE2-ND2 3.05Å; Q237-Y321 HydrophobicContact CB-CD2 3.3Å; Q237-Y321 HydrophobicContact CB-CE2 3.89Å; Q237-Y321 HydrophobicContact CB-CG 3.72Å; Q237-Y321 HydrophobicContact CG-CD2 3.79Å; Q237-Y321 HydrophobicContact CG-CE2 3.88Å
238	L	97.8	Very high	98	Very high	47 Å²	47	61.9 Å²	61.9	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-46.9	174.7	-78.1	166.9	0	0	0	111.9	K230 E234 T240 S241 V242 Y321	K230-L238 HydrophobicContact CG-CD1 3.93Å; E234-L238 PolarHBondContact O-N 3.41Å; L238-T240 VanDerWaalsContact C-N 3.26Å; L238-T240 PolarHBondContact O-N 2.81Å; L238-S241 WeakPolarHBondContact O-CB 3.22Å; L238-S241 PolarHBondContact O-N 3.48Å; L238-S241 VanDerWaalsContact O-N 3.17Å; L238-V242 WeakPolarHBondContact O-CG2 3.29Å; L238-V242 PolarHBondContact O-N 2.88Å; L238-Y321 HydrophobicContact CD1-CD1 4.42Å; L238-Y321 HydrophobicContact CD2-CD1 4.21Å; L238-Y321 HydrophobicContact CG-CD1 3.89Å; L238-Y321 HydrophobicContact CG-CG 4.32Å
239	K	98.1	Very high	98	Very high	134 Å²	134	56.4 Å²	56.4	58%	0.583	29%	0.285	S	S	*	.	H	α-helix	trans	-56.9	-41.4	175.8	-78.7	176.9	178.6	-178.7	0	111.8	I235 K236 Q237 V242 I243	I235-K239 HydrophobicContact CG2-CD 4.16Å; I235-K239 HydrophobicContact CG2-CG 4.46Å; I235-K239 WeakPolarHBondContact O-CB 3.33Å; I235-K239 VanDerWaalsContact O-CG 3.29Å; I235-K239 WeakPolarHBondContact O-CG 3.41Å; I235-K239 PolarHBondContact O-N 3.25Å; K236-K239 PolarHBondContact O-N 3.28Å; Q237-K239 PolarHBondContact O-N 3.11Å; K239-V242 PolarHBondContact O-N 2.89Å; K239-I243 WeakPolarHBondContact O-CD1 3.32Å; K239-I243 VanDerWaalsContact O-CG1 3.25Å; K239-I243 WeakPolarHBondContact O-CG1 3.31Å; K239-I243 PolarHBondContact O-N 2.72Å
240	T	97	Very high	98	Very high	51 Å²	51	55 Å²	55	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-46.1	177.7	-53.9	0	0	0	0	111.1	K236 Q237 L238 V242 I243 A244 F318	K236-T240 PolarHBondContact O-N 3.05Å; K236-T240 VanDerWaalsContact O-N 3.08Å; K236-T240 PolarHBondContact O-OG1 2.8Å; Q237-T240 WeakPolarHBondContact O-CB 3.48Å; Q237-T240 PolarHBondContact O-N 2.81Å; Q237-T240 VanDerWaalsContact O-N 3.16Å; L238-T240 VanDerWaalsContact C-N 3.26Å; L238-T240 PolarHBondContact O-N 2.81Å; T240-V242 PolarHBondContact O-N 2.91Å; T240-I243 PolarHBondContact O-N 2.65Å; T240-A244 PolarHBondContact O-N 3.3Å; T240-A244 VanDerWaalsContact O-N 3.08Å; T240-F318 HydrophobicContact CG2-CD1 3.62Å; T240-F318 HydrophobicContact CG2-CD2 4.18Å; T240-F318 HydrophobicContact CG2-CE1 3.52Å; T240-F318 HydrophobicContact CG2-CE2 4.12Å; T240-F318 HydrophobicContact CG2-CG 3.94Å; T240-F318 HydrophobicContact CG2-CZ 3.79Å
241	S	97.5	Very high	98	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-45.8	174.8	-168.3	0	0	0	0	112.3	Q237 L238 A244 A245 C316 Y321 S323	Q237-S241 PolarHBondContact O-N 2.89Å; L238-S241 WeakPolarHBondContact O-CB 3.22Å; L238-S241 PolarHBondContact O-N 3.48Å; L238-S241 VanDerWaalsContact O-N 3.17Å; S241-A244 PolarHBondContact O-N 2.94Å; S241-A245 PolarHBondContact O-N 3.15Å; S241-C316 WeakPolarHBondContact O-CB 3.34Å; S241-C316 WeakPolarHBondContact OG-CB 3.44Å; S241-C316 PolarHBondContact OG-O 2.99Å; S241-Y321 PolarHBondContact OG-O 2.78Å; S241-S323 PolarHBondContact O-OG 2.84Å; S241-S323 WeakPolarHBondContact OG-CB 3.3Å; S241-S323 PolarHBondContact OG-N 2.93Å; S241-S323 VanDerWaalsContact OG-N 3.13Å; S241-S323 PolarHBondContact OG-OG 2.86Å; S241-S323 VanDerWaalsContact OG-OG 3.14Å
242	V	98.5	Very high	98	Very high	62 Å²	62	49.9 Å²	49.9	38%	0.376	25%	0.25	S	C	.	.	H	α-helix	trans	-62.4	-46	179.4	169.4	0	0	0	0	111.3	L238 K239 T240 A244 A245 V246 I325	L238-V242 WeakPolarHBondContact O-CG2 3.29Å; L238-V242 PolarHBondContact O-N 2.88Å; K239-V242 PolarHBondContact O-N 2.89Å; T240-V242 PolarHBondContact O-N 2.91Å; V242-A244 VanDerWaalsContact C-N 3.32Å; V242-A244 PolarHBondContact O-N 3.33Å; V242-A245 PolarHBondContact O-N 3.1Å; V242-V246 HydrophobicContact CG1-CG2 4.18Å; V242-V246 WeakPolarHBondContact O-CB 3.43Å; V242-V246 VanDerWaalsContact O-CG2 3.3Å; V242-V246 WeakPolarHBondContact O-CG2 3.3Å; V242-V246 PolarHBondContact O-N 3.29Å; V242-I325 HydrophobicContact CG1-CD1 4.42Å
243	I	98.4	Very high	98.1	Very high	108 Å²	108	46.3 Å²	46.3	55%	0.554	23%	0.229	S	C	*	.	H	α-helix	trans	-60	-45.1	178.9	-70.5	164.2	0	0	0	110.4	K239 T240 A245 V246 E247	K239-I243 WeakPolarHBondContact O-CD1 3.32Å; K239-I243 VanDerWaalsContact O-CG1 3.25Å; K239-I243 WeakPolarHBondContact O-CG1 3.31Å; K239-I243 PolarHBondContact O-N 2.72Å; T240-I243 PolarHBondContact O-N 2.65Å; I243-A245 PolarHBondContact O-N 2.75Å; I243-V246 PolarHBondContact O-N 3.31Å; I243-E247 WeakPolarHBondContact O-CG 3.42Å; I243-E247 PolarHBondContact O-N 3.01Å
244	A	97.5	Very high	98.1	Very high	7 Å²	7	52 Å²	52	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-42.5	177.9	0	0	0	0	0	112.2	T240 S241 V242 S248 R276 C278 C316	T240-A244 PolarHBondContact O-N 3.3Å; T240-A244 VanDerWaalsContact O-N 3.08Å; S241-A244 PolarHBondContact O-N 2.94Å; V242-A244 VanDerWaalsContact C-N 3.32Å; V242-A244 PolarHBondContact O-N 3.33Å; A244-S248 WeakPolarHBondContact O-CB 3.28Å; A244-S248 PolarHBondContact O-N 3.17Å; A244-S248 PolarHBondContact O-OG 2.71Å; A244-R276 HydrophobicContact CB-CB 4.06Å; A244-C278 HydrophobicContact CB-CB 4.35Å; A244-C278 WeakPolarHBondContact CB-SG 3.49Å; A244-C316 HydrophobicContact CB-CB 4.36Å
245	A	98.3	Very high	98.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-45.2	177.9	0	0	0	0	0	112	S241 V242 I243 E247 S248 L249 M273 C316 S323 I325	S241-A245 PolarHBondContact O-N 3.15Å; V242-A245 PolarHBondContact O-N 3.1Å; I243-A245 PolarHBondContact O-N 2.75Å; A245-E247 PolarHBondContact O-N 2.93Å; A245-S248 WeakPolarHBondContact O-CB 3.26Å; A245-S248 PolarHBondContact O-N 3.27Å; A245-L249 WeakPolarHBondContact O-CG 3.44Å; A245-L249 PolarHBondContact O-N 3.2Å; A245-M273 HydrophobicContact CB-CE 4.44Å; A245-C316 HydrophobicContact CB-CB 4.11Å; A245-C316 PolarHBondContact N-SG 3.42Å; A245-C316 VanDerWaalsContact N-SG 3.38Å; A245-S323 WeakPolarHBondContact CB-OG 3.31Å; A245-I325 HydrophobicContact CB-CD1 3.72Å; A245-I325 HydrophobicContact CB-CG1 4.48Å
246	V	98.6	Very high	98.1	Very high	52 Å²	52	52.2 Å²	52.2	32%	0.315	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-49.1	177.2	167.8	0	0	0	0	111.3	V242 I243 S248 L249 K250 I325	V242-V246 HydrophobicContact CG1-CG2 4.18Å; V242-V246 WeakPolarHBondContact O-CB 3.43Å; V242-V246 VanDerWaalsContact O-CG2 3.3Å; V242-V246 WeakPolarHBondContact O-CG2 3.3Å; V242-V246 PolarHBondContact O-N 3.29Å; I243-V246 PolarHBondContact O-N 3.31Å; V246-S248 VanDerWaalsContact C-N 3.27Å; V246-S248 PolarHBondContact O-N 3.34Å; V246-L249 PolarHBondContact O-N 3.29Å; V246-K250 HydrophobicContact CG1-CD 3.96Å; V246-K250 WeakPolarHBondContact O-CG 3.46Å; V246-K250 PolarHBondContact O-N 3.08Å; V246-I325 HydrophobicContact CG2-CD1 3.7Å
247	E	98.6	Very high	98.1	Very high	67 Å²	67	51.9 Å²	51.9	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-68.1	-29.1	179.6	-67.4	-54.1	136.8	0	0	112.4	I243 A245 K250 S251 R276	I243-E247 WeakPolarHBondContact O-CG 3.42Å; I243-E247 PolarHBondContact O-N 3.01Å; A245-E247 PolarHBondContact O-N 2.93Å; E247-K250 IonicContact OE1-NZ 2.86Å; E247-K250 PolarHBondContact OE1-NZ 3.32Å; E247-K250 IonicContact OE2-NZ 3.37Å; E247-K250 PolarHBondContact OE2-NZ 3.29Å; E247-S251 WeakPolarHBondContact O-CB 3.31Å; E247-S251 PolarHBondContact O-N 3.26Å; E247-S251 VanDerWaalsContact O-N 3.08Å; E247-S251 PolarHBondContact O-OG 3.14Å; E247-R276 VanDerWaalsContact CB-NE 3.32Å; E247-R276 PolarHBondContact O-NH2 3.45Å
248	S	98.5	Very high	98.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-44.8	173.5	-57.8	0	0	0	0	111.8	A244 A245 V246 S251 A252 Q272 M273	A244-S248 WeakPolarHBondContact O-CB 3.28Å; A244-S248 PolarHBondContact O-N 3.17Å; A244-S248 PolarHBondContact O-OG 2.71Å; A245-S248 WeakPolarHBondContact O-CB 3.26Å; A245-S248 PolarHBondContact O-N 3.27Å; V246-S248 VanDerWaalsContact C-N 3.27Å; V246-S248 PolarHBondContact O-N 3.34Å; S248-S251 WeakPolarHBondContact O-CB 3.48Å; S248-S251 PolarHBondContact O-N 3.08Å; S248-A252 WeakPolarHBondContact O-CB 3.34Å; S248-A252 PolarHBondContact O-N 3.1Å; S248-Q272 VanDerWaalsContact OG-C 3.31Å; S248-M273 PolarHBondContact OG-N 3.13Å
249	L	98.5	Very high	98.2	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-40.6	176.2	-71.5	174	0	0	0	112.2	A245 V246 S251 A252 M253 V312 A314 I325 R327	A245-L249 WeakPolarHBondContact O-CG 3.44Å; A245-L249 PolarHBondContact O-N 3.2Å; V246-L249 PolarHBondContact O-N 3.29Å; L249-S251 VanDerWaalsContact C-N 3.31Å; L249-S251 PolarHBondContact O-N 3.36Å; L249-A252 WeakPolarHBondContact O-CB 3.24Å; L249-A252 PolarHBondContact O-N 2.89Å; L249-A252 VanDerWaalsContact O-N 3.15Å; L249-M253 WeakPolarHBondContact O-CG 3.46Å; L249-M253 PolarHBondContact O-N 3.48Å; L249-V312 HydrophobicContact CD2-CB 4.32Å; L249-V312 HydrophobicContact CD2-CG1 3.61Å; L249-A314 HydrophobicContact CD2-CB 4.37Å; L249-I325 HydrophobicContact CD1-CB 3.9Å; L249-I325 HydrophobicContact CD1-CG2 3.54Å; L249-R327 HydrophobicContact CD1-CG 4.33Å
250	K	98.6	Very high	98.2	Very high	96 Å²	96	47.6 Å²	47.6	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-58.7	-44.2	172.9	-75.2	168.2	64.7	-160.8	0	111.5	V246 E247 A252 M253 Q254	V246-K250 HydrophobicContact CG1-CD 3.96Å; V246-K250 WeakPolarHBondContact O-CG 3.46Å; V246-K250 PolarHBondContact O-N 3.08Å; E247-K250 IonicContact OE1-NZ 2.86Å; E247-K250 PolarHBondContact OE1-NZ 3.32Å; E247-K250 IonicContact OE2-NZ 3.37Å; E247-K250 PolarHBondContact OE2-NZ 3.29Å; K250-A252 VanDerWaalsContact C-N 3.31Å; K250-A252 PolarHBondContact O-N 3.18Å; K250-M253 PolarHBondContact O-N 3Å; K250-Q254 WeakPolarHBondContact O-CG 3.46Å; K250-Q254 PolarHBondContact O-N 3.32Å
251	S	98.5	Very high	98.3	Very high	13 Å²	13	47.4 Å²	47.4	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-40	176.2	-55.5	0	0	0	0	111	E247 S248 L249 Q254 I255 Y268 Q272 R276	E247-S251 WeakPolarHBondContact O-CB 3.31Å; E247-S251 PolarHBondContact O-N 3.26Å; E247-S251 VanDerWaalsContact O-N 3.08Å; E247-S251 PolarHBondContact O-OG 3.14Å; S248-S251 WeakPolarHBondContact O-CB 3.48Å; S248-S251 PolarHBondContact O-N 3.08Å; L249-S251 VanDerWaalsContact C-N 3.31Å; L249-S251 PolarHBondContact O-N 3.36Å; S251-Q254 PolarHBondContact O-N 3.17Å; S251-I255 PolarHBondContact O-N 3.44Å; S251-Y268 WeakPolarHBondContact O-CE1 3.34Å; S251-Q272 PolarHBondContact OG-OE1 3.36Å; S251-R276 PolarHBondContact OG-NH2 3.46Å; S251-R276 VanDerWaalsContact OG-NH2 3.14Å
252	A	98.3	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-42.1	177.4	0	0	0	0	0	112.3	S248 L249 K250 Q254 I255 T256 L265 I269	S248-A252 WeakPolarHBondContact O-CB 3.34Å; S248-A252 PolarHBondContact O-N 3.1Å; L249-A252 WeakPolarHBondContact O-CB 3.24Å; L249-A252 PolarHBondContact O-N 2.89Å; L249-A252 VanDerWaalsContact O-N 3.15Å; K250-A252 VanDerWaalsContact C-N 3.31Å; K250-A252 PolarHBondContact O-N 3.18Å; A252-Q254 VanDerWaalsContact C-N 3.28Å; A252-Q254 PolarHBondContact O-N 2.98Å; A252-I255 VanDerWaalsContact O-CG1 3.26Å; A252-I255 WeakPolarHBondContact O-CG1 3.03Å; A252-I255 PolarHBondContact O-N 3.05Å; A252-T256 PolarHBondContact O-N 3.38Å; A252-T256 PolarHBondContact O-OG1 3Å; A252-L265 HydrophobicContact CB-CD1 3.77Å; A252-I269 HydrophobicContact CB-CD1 4.11Å; A252-I269 HydrophobicContact CB-CG1 3.51Å
253	M	98.6	Very high	98.4	Very high	71 Å²	71	47.5 Å²	47.5	35%	0.35	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-39	173.9	-69.4	169.2	-177.4	0	0	111.8	L249 K250 I255 T256 R327 W329	L249-M253 WeakPolarHBondContact O-CG 3.46Å; L249-M253 PolarHBondContact O-N 3.48Å; K250-M253 PolarHBondContact O-N 3Å; M253-I255 VanDerWaalsContact C-N 3.35Å; M253-I255 PolarHBondContact O-N 3.3Å; M253-T256 WeakPolarHBondContact O-CB 3.46Å; M253-T256 PolarHBondContact O-N 2.95Å; M253-R327 HydrophobicContact CE-CB 3.74Å; M253-R327 HydrophobicContact CE-CG 3.96Å; M253-W329 HydrophobicContact CE-CD2 4.13Å; M253-W329 HydrophobicContact CE-CE3 3.58Å; M253-W329 HydrophobicContact CE-CZ3 3.8Å; M253-W329 HydrophobicContact CG-CD2 3.78Å; M253-W329 HydrophobicContact CG-CE3 4.09Å; M253-W329 HydrophobicContact CG-CG 4.21Å; M253-W329 HydrophobicContact CG-CH2 4.21Å; M253-W329 HydrophobicContact CG-CZ2 3.94Å; M253-W329 HydrophobicContact CG-CZ3 4.29Å
254	Q	98.1	Very high	98.4	Very high	156 Å²	156	45.8 Å²	45.8	73%	0.729	25%	0.248	S	C	*	.	H	α-helix	trans	-67.6	-29.5	-178.6	-71.7	171.9	-10.5	0	0	114.3	K250 S251 A252	K250-Q254 WeakPolarHBondContact O-CG 3.46Å; K250-Q254 PolarHBondContact O-N 3.32Å; S251-Q254 PolarHBondContact O-N 3.17Å; A252-Q254 VanDerWaalsContact C-N 3.28Å; A252-Q254 PolarHBondContact O-N 2.98Å
255	I	97.9	Very high	98.5	Very high	56 Å²	56	45.5 Å²	45.5	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-91.5	-6.9	177.4	67.6	150	0	0	0	113	S251 A252 M253 Q257 I260 L265 Y268	S251-I255 PolarHBondContact O-N 3.44Å; A252-I255 VanDerWaalsContact O-CG1 3.26Å; A252-I255 WeakPolarHBondContact O-CG1 3.03Å; A252-I255 PolarHBondContact O-N 3.05Å; M253-I255 VanDerWaalsContact C-N 3.35Å; M253-I255 PolarHBondContact O-N 3.3Å; I255-Q257 PolarHBondContact O-N 3.08Å; I255-I260 HydrophobicContact CD1-CD1 4.19Å; I255-L265 HydrophobicContact CD1-CD1 4.38Å; I255-L265 HydrophobicContact CG1-CD1 4.39Å; I255-Y268 HydrophobicContact CB-CE1 4.47Å; I255-Y268 HydrophobicContact CD1-CD1 3.36Å; I255-Y268 HydrophobicContact CD1-CD2 3.92Å; I255-Y268 HydrophobicContact CD1-CE1 3.86Å; I255-Y268 HydrophobicContact CD1-CE2 4.37Å; I255-Y268 HydrophobicContact CD1-CG 3.37Å; I255-Y268 HydrophobicContact CG1-CD1 3.77Å; I255-Y268 HydrophobicContact CG1-CE1 3.87Å; I255-Y268 HydrophobicContact CG1-CG 4.28Å; I255-Y268 HydrophobicContact CG2-CD1 4.45Å; I255-Y268 HydrophobicContact CG2-CE1 3.76Å; I255-Y268 HydrophobicContact CG2-CE2 4.28Å
256	T	98.4	Very high	98.5	Very high	21 Å²	21	47.5 Å²	47.5	13%	0.129	25%	0.254	C	S	.	.			trans	-71.3	127.3	-175.8	-61.4	0	0	0	0	109.6	A252 M253 I260 W329 V331	A252-T256 PolarHBondContact O-N 3.38Å; A252-T256 PolarHBondContact O-OG1 3Å; M253-T256 WeakPolarHBondContact O-CB 3.46Å; M253-T256 PolarHBondContact O-N 2.95Å; T256-I260 HydrophobicContact CG2-CG2 4.39Å; T256-W329 PolarHBondContact OG1-NE1 3.21Å; T256-W329 VanDerWaalsContact OG1-NE1 3.13Å; T256-V331 HydrophobicContact CG2-CB 4.17Å; T256-V331 HydrophobicContact CG2-CG2 3.44Å; T256-V331 VanDerWaalsContact CG2-CG2 3.44Å
257	Q	98.1	Very high	98.4	Very high	131 Å²	131	48.2 Å²	48.2	61%	0.612	26%	0.262	S	S	*	.			trans	-148.3	155.4	173.2	61.4	-176.1	0.1	0	0	109.7	I255 G259 I260 V331	I255-Q257 PolarHBondContact O-N 3.08Å; Q257-G259 PolarHBondContact O-N 3.43Å; Q257-I260 WeakPolarHBondContact O-CB 3.44Å; Q257-I260 VanDerWaalsContact O-CG2 3.25Å; Q257-I260 WeakPolarHBondContact O-CG2 3.18Å; Q257-I260 PolarHBondContact O-N 2.8Å; Q257-I260 VanDerWaalsContact O-N 3.09Å; Q257-V331 CarbonylContact C-O 3.57Å; Q257-V331 WeakPolarHBondContact CA-O 3.38Å
258	P	98.5	Very high	98.4	Very high	59 Å²	59	48.1 Å²	48.1	38%	0.383	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	135.9	177	-27.2	35.7	0	0	0	112.4	N306 V331 N332	P258-N306 HydrophobicContact CB-CB 3.81Å; P258-N306 HydrophobicContact CG-CB 4.09Å; P258-V331 HydrophobicContact CB-CG1 4.41Å; P258-V331 WeakPolarHBondContact CD-O 3.39Å; P258-V331 HydrophobicContact CG-CG1 4.22Å; P258-N332 HydrophobicContact CG-CB 3.82Å
259	G	98.4	Very high	98.5	Very high	26 Å²	26	48.1 Å²	48.1	27%	0.268	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-4.3	-177	0	0	0	0	0	115	Q257 I304	Q257-G259 PolarHBondContact O-N 3.43Å; G259-I304 WeakPolarHBondContact CA-O 3.39Å; G259-I304 PolarHBondContact N-O 3.42Å
260	I	98.5	Very high	98.4	Very high	18 Å²	18	50.1 Å²	50.1	9%	0.092	27%	0.268	C	S	.	.			trans	-59	146.4	167.4	-164.3	168.6	0	0	0	110	I255 T256 Q257 T264 L265 I304 V331	I255-I260 HydrophobicContact CD1-CD1 4.19Å; T256-I260 HydrophobicContact CG2-CG2 4.39Å; Q257-I260 WeakPolarHBondContact O-CB 3.44Å; Q257-I260 VanDerWaalsContact O-CG2 3.25Å; Q257-I260 WeakPolarHBondContact O-CG2 3.18Å; Q257-I260 PolarHBondContact O-N 2.8Å; Q257-I260 VanDerWaalsContact O-N 3.09Å; I260-T264 HydrophobicContact CD1-CG2 4.31Å; I260-T264 HydrophobicContact CG1-CG2 4.14Å; I260-L265 HydrophobicContact CD1-CB 4.17Å; I260-L265 HydrophobicContact CD1-CD1 4.21Å; I260-I304 HydrophobicContact CG2-CB 4.31Å; I260-I304 HydrophobicContact CG2-CD1 4.3Å; I260-I304 HydrophobicContact CG2-CG1 4.49Å; I260-I304 PolarHBondContact O-N 2.85Å; I260-V331 HydrophobicContact CG2-CG2 3.87Å
261	T	98.7	Very high	98.4	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.294	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-93.5	148.1	172	65.2	0	0	0	0	110.8	T263 T264 L265 M302	T261-T263 PolarHBondContact O-N 2.83Å; T261-T264 WeakPolarHBondContact O-CB 3.24Å; T261-T264 PolarHBondContact O-N 2.88Å; T261-T264 WeakPolarHBondContact OG1-CB 3.37Å; T261-T264 PolarHBondContact OG1-N 2.77Å; T261-T264 PolarHBondContact OG1-OG1 3Å; T261-L265 PolarHBondContact O-N 3.23Å; T261-L265 VanDerWaalsContact O-N 3.08Å; T261-M302 WeakPolarHBondContact CA-O 3.49Å
262	E	98.8	Very high	98.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-53.7	-39.2	173.1	-67.7	163.6	172.6	0	0	111.3	T264 L265 Q266 V286 G288 R291 Y297 N300 N301 M302 I304	E262-T264 PolarHBondContact O-N 2.78Å; E262-L265 PolarHBondContact O-N 3.23Å; E262-Q266 WeakPolarHBondContact O-CB 3.41Å; E262-Q266 PolarHBondContact O-N 3.06Å; E262-V286 HydrophobicContact CB-CB 4.23Å; E262-V286 HydrophobicContact CB-CG1 3.86Å; E262-V286 WeakPolarHBondContact CB-O 3.29Å; E262-V286 VanDerWaalsContact CD-O 3.23Å; E262-V286 HydrophobicContact CG-CG1 4.13Å; E262-V286 WeakPolarHBondContact CG-O 3.38Å; E262-G288 PolarHBondContact OE1-N 3.21Å; E262-R291 IonicContact OE1-CZ 2.76Å; E262-R291 IonicContact OE1-NE 2.85Å; E262-R291 PolarHBondContact OE1-NE 2.8Å; E262-R291 IonicContact OE1-NH2 3.54Å; E262-R291 PolarHBondContact OE1-NH2 3.33Å; E262-R291 IonicContact OE2-NE 3.02Å; E262-Y297 WeakPolarHBondContact OE2-CE1 3.45Å; E262-Y297 PolarHBondContact OE2-OH 3Å; E262-N300 CarbonylContact C-O 3.59Å; E262-N300 VanDerWaalsContact CB-C 3.44Å; E262-N300 HydrophobicContact CB-CB 4.19Å; E262-N301 PolarHBondContact OE2-N 3.44Å; E262-M302 WeakPolarHBondContact CG-O 3.48Å; E262-M302 PolarHBondContact N-O 3.24Å; E262-M302 WeakPolarHBondContact OE2-CB 3.44Å; E262-M302 PolarHBondContact OE2-N 3.44Å; E262-I304 HydrophobicContact CG-CD1 3.81Å; E262-I304 HydrophobicContact CG-CG1 3.81Å
263	T	98.6	Very high	98.4	Very high	64 Å²	64	52.6 Å²	52.6	39%	0.393	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-42.1	176.4	-45.7	0	0	0	0	112.3	T261 L265 S267 N300	T261-T263 PolarHBondContact O-N 2.83Å; T263-L265 VanDerWaalsContact C-N 3.34Å; T263-S267 WeakPolarHBondContact O-CB 3.13Å; T263-S267 PolarHBondContact O-N 3.46Å; T263-S267 PolarHBondContact O-OG 3.43Å; T263-N300 VanDerWaalsContact CA-O 3.28Å; T263-N300 WeakPolarHBondContact CA-O 3.42Å; T263-N300 WeakPolarHBondContact CB-O 3.33Å; T263-N300 PolarHBondContact N-O 2.7Å; T263-N300 PolarHBondContact OG1-O 3.23Å
264	T	98.6	Very high	98.3	Very high	72 Å²	72	56.2 Å²	56.2	44%	0.442	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-45.2	179	-60.4	0	0	0	0	109.9	I260 T261 E262 S267 Y268	I260-T264 HydrophobicContact CD1-CG2 4.31Å; I260-T264 HydrophobicContact CG1-CG2 4.14Å; T261-T264 WeakPolarHBondContact O-CB 3.24Å; T261-T264 PolarHBondContact O-N 2.88Å; T261-T264 WeakPolarHBondContact OG1-CB 3.37Å; T261-T264 PolarHBondContact OG1-N 2.77Å; T261-T264 PolarHBondContact OG1-OG1 3Å; E262-T264 PolarHBondContact O-N 2.78Å; T264-S267 PolarHBondContact O-N 3.36Å; T264-Y268 WeakPolarHBondContact O-CB 3.25Å; T264-Y268 PolarHBondContact O-N 2.99Å
265	L	98.5	Very high	98.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-44.5	-179.9	-171.3	61.5	0	0	0	111.5	A252 I255 I260 T261 E262 T263 Y268 I269 V286 V310 V312 W329	A252-L265 HydrophobicContact CB-CD1 3.77Å; I255-L265 HydrophobicContact CD1-CD1 4.38Å; I255-L265 HydrophobicContact CG1-CD1 4.39Å; I260-L265 HydrophobicContact CD1-CB 4.17Å; I260-L265 HydrophobicContact CD1-CD1 4.21Å; T261-L265 PolarHBondContact O-N 3.23Å; T261-L265 VanDerWaalsContact O-N 3.08Å; E262-L265 PolarHBondContact O-N 3.23Å; T263-L265 VanDerWaalsContact C-N 3.34Å; L265-Y268 PolarHBondContact O-N 3.15Å; L265-I269 HydrophobicContact CG-CD1 4.11Å; L265-I269 WeakPolarHBondContact O-CD1 3.46Å; L265-I269 VanDerWaalsContact O-CG1 3.23Å; L265-I269 WeakPolarHBondContact O-CG1 3.45Å; L265-I269 PolarHBondContact O-N 3.48Å; L265-V286 HydrophobicContact CB-CG1 4.07Å; L265-V286 HydrophobicContact CD2-CG1 3.87Å; L265-V286 HydrophobicContact CG-CG1 4.22Å; L265-V310 HydrophobicContact CD2-CG1 4.39Å; L265-V310 HydrophobicContact CD2-CG2 3.94Å; L265-V312 HydrophobicContact CD2-CG2 4Å; L265-W329 HydrophobicContact CD2-CZ2 3.98Å
266	Q	98.5	Very high	98.2	Very high	42 Å²	42	53.3 Å²	53.3	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-55.3	-53.8	171.8	-179.5	-174	-21.1	0	0	111.2	E262 Y268 I269 E270 P284 V286 N300	E262-Q266 WeakPolarHBondContact O-CB 3.41Å; E262-Q266 PolarHBondContact O-N 3.06Å; Q266-Y268 PolarHBondContact O-N 3.3Å; Q266-I269 WeakPolarHBondContact O-CB 3.37Å; Q266-I269 PolarHBondContact O-N 2.82Å; Q266-I269 VanDerWaalsContact O-N 3.09Å; Q266-E270 HydrophobicContact CG-CG 4.39Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.42Å; Q266-E270 PolarHBondContact NE2-OE1 2.7Å; Q266-E270 WeakPolarHBondContact O-CG 3.44Å; Q266-E270 PolarHBondContact O-N 3.22Å; Q266-P284 HydrophobicContact CG-CB 4.34Å; Q266-P284 HydrophobicContact CG-CG 4.25Å; Q266-V286 HydrophobicContact CB-CG2 3.83Å; Q266-V286 HydrophobicContact CG-CG2 4.47Å; Q266-N300 VanDerWaalsContact OE1-CB 3.24Å; Q266-N300 PolarHBondContact OE1-ND2 3.43Å
267	S	98.4	Very high	98	Very high	67 Å²	67	54.9 Å²	54.9	47%	0.469	29%	0.294	S	S	.	.	H	α-helix	trans	-58.4	-39.5	-177.1	-58.5	0	0	0	0	111.5	T263 T264 Y271	T263-S267 WeakPolarHBondContact O-CB 3.13Å; T263-S267 PolarHBondContact O-N 3.46Å; T263-S267 PolarHBondContact O-OG 3.43Å; T264-S267 PolarHBondContact O-N 3.36Å; S267-Y271 WeakPolarHBondContact O-CB 3.38Å; S267-Y271 PolarHBondContact O-N 2.78Å
268	Y	98.5	Very high	97.9	Very high	66 Å²	66	48.9 Å²	48.9	26%	0.259	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-43	176.7	-169.6	-103.8	0	0	0	112.3	S251 I255 T264 L265 Q266 Y271 Q272	S251-Y268 WeakPolarHBondContact O-CE1 3.34Å; I255-Y268 HydrophobicContact CB-CE1 4.47Å; I255-Y268 HydrophobicContact CD1-CD1 3.36Å; I255-Y268 HydrophobicContact CD1-CD2 3.92Å; I255-Y268 HydrophobicContact CD1-CE1 3.86Å; I255-Y268 HydrophobicContact CD1-CE2 4.37Å; I255-Y268 HydrophobicContact CD1-CG 3.37Å; I255-Y268 HydrophobicContact CG1-CD1 3.77Å; I255-Y268 HydrophobicContact CG1-CE1 3.87Å; I255-Y268 HydrophobicContact CG1-CG 4.28Å; I255-Y268 HydrophobicContact CG2-CD1 4.45Å; I255-Y268 HydrophobicContact CG2-CE1 3.76Å; I255-Y268 HydrophobicContact CG2-CE2 4.28Å; T264-Y268 WeakPolarHBondContact O-CB 3.25Å; T264-Y268 PolarHBondContact O-N 2.99Å; L265-Y268 PolarHBondContact O-N 3.15Å; Q266-Y268 PolarHBondContact O-N 3.3Å; Y268-Y271 HydrophobicContact CD2-CD1 4.46Å; Y268-Y271 HydrophobicContact CE2-CD1 4.47Å; Y268-Y271 PolarHBondContact O-N 3.28Å; Y268-Q272 HydrophobicContact CD1-CG 3.97Å; Y268-Q272 HydrophobicContact CE1-CG 3.76Å; Y268-Q272 WeakPolarHBondContact O-CB 3.05Å; Y268-Q272 WeakPolarHBondContact O-CG 3.32Å; Y268-Q272 PolarHBondContact O-N 3.18Å; Y268-Q272 PolarHBondContact OH-NE2 3.39Å; Y268-Q272 VanDerWaalsContact OH-NE2 3.09Å
269	I	98.6	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-51.3	174.7	-69.1	157.5	0	0	0	109.9	A252 L265 Q266 Y271 Q272 M273 V286 V312 A314	A252-I269 HydrophobicContact CB-CD1 4.11Å; A252-I269 HydrophobicContact CB-CG1 3.51Å; L265-I269 HydrophobicContact CG-CD1 4.11Å; L265-I269 WeakPolarHBondContact O-CD1 3.46Å; L265-I269 VanDerWaalsContact O-CG1 3.23Å; L265-I269 WeakPolarHBondContact O-CG1 3.45Å; L265-I269 PolarHBondContact O-N 3.48Å; Q266-I269 WeakPolarHBondContact O-CB 3.37Å; Q266-I269 PolarHBondContact O-N 2.82Å; Q266-I269 VanDerWaalsContact O-N 3.09Å; I269-Y271 VanDerWaalsContact C-N 3.33Å; I269-Y271 PolarHBondContact O-N 3.37Å; I269-Q272 WeakPolarHBondContact O-CB 2.86Å; I269-Q272 PolarHBondContact O-N 2.9Å; I269-Q272 VanDerWaalsContact O-N 3.09Å; I269-M273 HydrophobicContact CG2-CE 3.6Å; I269-M273 HydrophobicContact CG2-CG 4.37Å; I269-M273 HydrophobicContact CG2-SD 4.16Å; I269-M273 VanDerWaalsContact O-CG 3.29Å; I269-M273 WeakPolarHBondContact O-CG 3.38Å; I269-M273 PolarHBondContact O-N 2.91Å; I269-V286 HydrophobicContact CD1-CG2 4.4Å; I269-V312 HydrophobicContact CD1-CG1 3.54Å; I269-V312 HydrophobicContact CD1-CG2 4.37Å; I269-A314 HydrophobicContact CG2-CB 3.96Å
270	E	98.3	Very high	97.6	Very high	46 Å²	46	47.7 Å²	47.7	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-40.5	-179.5	-64.9	-172.5	-165	0	0	112.4	Q266 M273 R274 V280 P284	Q266-E270 HydrophobicContact CG-CG 4.39Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.42Å; Q266-E270 PolarHBondContact NE2-OE1 2.7Å; Q266-E270 WeakPolarHBondContact O-CG 3.44Å; Q266-E270 PolarHBondContact O-N 3.22Å; E270-M273 PolarHBondContact O-N 3.07Å; E270-R274 WeakPolarHBondContact O-CB 3.42Å; E270-R274 VanDerWaalsContact O-CG 3.3Å; E270-R274 WeakPolarHBondContact O-CG 3.4Å; E270-R274 PolarHBondContact O-N 3.16Å; E270-V280 HydrophobicContact CB-CG2 3.94Å; E270-V280 HydrophobicContact CG-CG2 3.64Å; E270-P284 HydrophobicContact CG-CG 4.31Å
271	Y	98.3	Very high	97.5	Very high	141 Å²	141	47.9 Å²	47.9	55%	0.553	26%	0.261	S	S	*	.	H	α-helix	trans	-57.9	-48	172	164.2	-102.7	0	0	0	111.5	S267 Y268 I269 M273 R274 S275	S267-Y271 WeakPolarHBondContact O-CB 3.38Å; S267-Y271 PolarHBondContact O-N 2.78Å; Y268-Y271 HydrophobicContact CD2-CD1 4.46Å; Y268-Y271 HydrophobicContact CE2-CD1 4.47Å; Y268-Y271 PolarHBondContact O-N 3.28Å; I269-Y271 VanDerWaalsContact C-N 3.33Å; I269-Y271 PolarHBondContact O-N 3.37Å; Y271-M273 VanDerWaalsContact C-N 3.33Å; Y271-M273 PolarHBondContact O-N 3.04Å; Y271-R274 PolarHBondContact O-N 3.45Å; Y271-S275 WeakPolarHBondContact O-CB 3.19Å; Y271-S275 PolarHBondContact O-N 3.31Å; Y271-S275 PolarHBondContact O-OG 2.88Å
272	Q	98.4	Very high	97.3	Very high	20 Å²	20	48.2 Å²	48.2	9%	0.093	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-41.1	179.9	-69.6	-67.8	-30.9	0	0	111.1	S248 S251 Y268 I269 S275 R276	S248-Q272 VanDerWaalsContact OG-C 3.31Å; S251-Q272 PolarHBondContact OG-OE1 3.36Å; Y268-Q272 HydrophobicContact CD1-CG 3.97Å; Y268-Q272 HydrophobicContact CE1-CG 3.76Å; Y268-Q272 WeakPolarHBondContact O-CB 3.05Å; Y268-Q272 WeakPolarHBondContact O-CG 3.32Å; Y268-Q272 PolarHBondContact O-N 3.18Å; Y268-Q272 PolarHBondContact OH-NE2 3.39Å; Y268-Q272 VanDerWaalsContact OH-NE2 3.09Å; I269-Q272 WeakPolarHBondContact O-CB 2.86Å; I269-Q272 PolarHBondContact O-N 2.9Å; I269-Q272 VanDerWaalsContact O-N 3.09Å; Q272-S275 WeakPolarHBondContact CA-OG 3.41Å; Q272-S275 PolarHBondContact O-OG 3.34Å; Q272-R276 VanDerWaalsContact C-NH1 3.32Å; Q272-R276 VanDerWaalsContact CB-NH1 3.32Å; Q272-R276 WeakPolarHBondContact O-CG 3.34Å; Q272-R276 PolarHBondContact O-N 2.92Å; Q272-R276 PolarHBondContact O-NH1 3.5Å; Q272-R276 VanDerWaalsContact OE1-CZ 3.25Å
273	M	97.8	Very high	97.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-47.7	175.7	-63.7	-175.2	167.2	0	0	111.7	A245 S248 I269 E270 Y271 R276 C278 V280 A314 C316	A245-M273 HydrophobicContact CB-CE 4.44Å; S248-M273 PolarHBondContact OG-N 3.13Å; I269-M273 HydrophobicContact CG2-CE 3.6Å; I269-M273 HydrophobicContact CG2-CG 4.37Å; I269-M273 HydrophobicContact CG2-SD 4.16Å; I269-M273 VanDerWaalsContact O-CG 3.29Å; I269-M273 WeakPolarHBondContact O-CG 3.38Å; I269-M273 PolarHBondContact O-N 2.91Å; E270-M273 PolarHBondContact O-N 3.07Å; Y271-M273 VanDerWaalsContact C-N 3.33Å; Y271-M273 PolarHBondContact O-N 3.04Å; M273-R276 CarbonylContact O-C 3.57Å; M273-R276 PolarHBondContact O-N 2.99Å; M273-R276 VanDerWaalsContact O-N 3.14Å; M273-C278 CarbonylContact C-O 3.52Å; M273-C278 WeakPolarHBondContact O-CB 3.34Å; M273-C278 PolarHBondContact O-N 3.25Å; M273-V280 HydrophobicContact SD-CG2 4.47Å; M273-A314 HydrophobicContact CE-CB 3.72Å; M273-C316 VanDerWaalsContact CB-SG 3.56Å; M273-C316 WeakPolarHBondContact CG-SG 3.5Å; M273-C316 VanDerWaalsContact SD-SG 3.64Å
274	R	97	Very high	97.2	Very high	148 Å²	148	49.2 Å²	49.2	56%	0.558	27%	0.265	S	S	*	.	H	α-helix	trans	-65.5	-42.4	-179.6	-70.7	176.9	-175.9	-73.3	1.5	112.9	E270 Y271 R276 G277 C278	E270-R274 WeakPolarHBondContact O-CB 3.42Å; E270-R274 VanDerWaalsContact O-CG 3.3Å; E270-R274 WeakPolarHBondContact O-CG 3.4Å; E270-R274 PolarHBondContact O-N 3.16Å; Y271-R274 PolarHBondContact O-N 3.45Å; R274-R276 PolarHBondContact O-N 3.34Å; R274-R276 VanDerWaalsContact O-N 3.17Å; R274-G277 PolarHBondContact O-N 3.11Å; R274-C278 WeakPolarHBondContact CA-O 3.33Å; R274-C278 PolarHBondContact N-O 3.39Å
275	S	97.1	Very high	97.2	Very high	68 Å²	68	46.3 Å²	46.3	48%	0.476	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-22	175.5	69.3	0	0	0	0	113	Y271 Q272	Y271-S275 WeakPolarHBondContact O-CB 3.19Å; Y271-S275 PolarHBondContact O-N 3.31Å; Y271-S275 PolarHBondContact O-OG 2.88Å; Q272-S275 WeakPolarHBondContact CA-OG 3.41Å; Q272-S275 PolarHBondContact O-OG 3.34Å
276	R	96.1	Very high	97.2	Very high	82 Å²	82	46.3 Å²	46.3	31%	0.309	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	13.2	174.8	-69.2	172.9	-178.1	69.8	-5.1	113.4	A244 E247 S251 Q272 M273 R274 C278	A244-R276 HydrophobicContact CB-CB 4.06Å; E247-R276 VanDerWaalsContact CB-NE 3.32Å; E247-R276 PolarHBondContact O-NH2 3.45Å; S251-R276 PolarHBondContact OG-NH2 3.46Å; S251-R276 VanDerWaalsContact OG-NH2 3.14Å; Q272-R276 VanDerWaalsContact C-NH1 3.32Å; Q272-R276 VanDerWaalsContact CB-NH1 3.32Å; Q272-R276 WeakPolarHBondContact O-CG 3.34Å; Q272-R276 PolarHBondContact O-N 2.92Å; Q272-R276 PolarHBondContact O-NH1 3.5Å; Q272-R276 VanDerWaalsContact OE1-CZ 3.25Å; M273-R276 CarbonylContact O-C 3.57Å; M273-R276 PolarHBondContact O-N 2.99Å; M273-R276 VanDerWaalsContact O-N 3.14Å; R274-R276 PolarHBondContact O-N 3.34Å; R274-R276 VanDerWaalsContact O-N 3.17Å; R276-C278 VanDerWaalsContact C-N 3.35Å
277	G	94.3	Very high	97.2	Very high	55 Å²	55	44.3 Å²	44.3	57%	0.567	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	15.8	177.2	0	0	0	0	0	114.6	R274	R274-G277 PolarHBondContact O-N 3.11Å
278	C	95.2	Very high	97.2	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.027	22%	0.215	C	C	.	.			trans	-106.9	146.7	177.3	-66.7	0	0	0	0	111.6	A244 M273 R274 R276 C316	A244-C278 HydrophobicContact CB-CB 4.35Å; A244-C278 WeakPolarHBondContact CB-SG 3.49Å; M273-C278 CarbonylContact C-O 3.52Å; M273-C278 WeakPolarHBondContact O-CB 3.34Å; M273-C278 PolarHBondContact O-N 3.25Å; R274-C278 WeakPolarHBondContact CA-O 3.33Å; R274-C278 PolarHBondContact N-O 3.39Å; R276-C278 VanDerWaalsContact C-N 3.35Å; C278-C316 HydrophobicContact CB-CB 3.7Å
279	S	95	Very high	97.1	Very high	33 Å²	33	38.6 Å²	38.6	23%	0.231	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	168	160.7	61.6	0	0	0	0	110.1	C316 R317	S279-C316 CarbonylContact O-C 3.55Å; S279-C316 WeakPolarHBondContact O-CA 3.32Å; S279-R317 PolarHBondContact N-O 3.11Å; S279-R317 PolarHBondContact O-N 3.02Å; S279-R317 WeakPolarHBondContact OG-CB 3.43Å; S279-R317 PolarHBondContact OG-NE 2.86Å; S279-R317 VanDerWaalsContact OG-NE 3.11Å; S279-R317 PolarHBondContact OG-O 3.24Å
280	V	96.3	Very high	97.1	Very high	27 Å²	27	44.7 Å²	44.7	16%	0.164	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.1	169.6	-177.4	0	0	0	0	107.8	E270 M273 Y282 P284	E270-V280 HydrophobicContact CB-CG2 3.94Å; E270-V280 HydrophobicContact CG-CG2 3.64Å; M273-V280 HydrophobicContact SD-CG2 4.47Å; V280-Y282 WeakPolarHBondContact CG1-O 3.5Å; V280-P284 HydrophobicContact CG1-CG 4.11Å
281	G	95.6	Very high	97.1	Very high	22 Å²	22	44.5 Å²	44.5	23%	0.227	24%	0.239	C	C	.	.	S	Bend	trans	-79.6	-34.1	-175.1	0	0	0	0	0	113.9	G315	G281-G315 PolarHBondContact N-O 3.08Å
282	Y	96.3	Very high	97.1	Very high	55 Å²	55	39.8 Å²	39.8	22%	0.216	23%	0.225	C	C	.	.	S	Bend	trans	-156	157.1	173.9	49.3	-91.4	0	0	0	108.8	V280 P284 D313 G315 T322 D324 I325	V280-Y282 WeakPolarHBondContact CG1-O 3.5Å; Y282-P284 VanDerWaalsContact O-CD 3.27Å; Y282-P284 WeakPolarHBondContact O-CD 3.34Å; Y282-P284 VanDerWaalsContact O-N 3.12Å; Y282-D313 VanDerWaalsContact CE2-OD1 3.23Å; Y282-D313 WeakPolarHBondContact CE2-OD1 3.43Å; Y282-D313 VanDerWaalsContact CZ-OD1 3.28Å; Y282-D313 PolarHBondContact OH-OD1 3.29Å; Y282-G315 PolarHBondContact OH-N 2.92Å; Y282-T322 HydrophobicContact CD1-CG2 4.1Å; Y282-T322 HydrophobicContact CE1-CG2 4.25Å; Y282-D324 HydrophobicContact CE1-CB 4.05Å; Y282-D324 WeakPolarHBondContact OH-CA 3.06Å; Y282-D324 PolarHBondContact OH-OD1 3.12Å; Y282-I325 PolarHBondContact OH-N 3.02Å
283	P	95.8	Very high	97.1	Very high	86 Å²	86	44.5 Å²	44.5	56%	0.558	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-53.3	117.7	176.1	-28.5	38.7	0	0	0	111	M298	P283-M298 HydrophobicContact CB-CE 3.1Å; P283-M298 HydrophobicContact CB-SD 4.11Å; P283-M298 HydrophobicContact CG-CE 4.34Å
284	P	97.9	Very high	97.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.9	146	-175.2	-24.1	35.1	0	0	0	112	Q266 E270 V280 Y282 V286 N300 D313 A314	Q266-P284 HydrophobicContact CG-CB 4.34Å; Q266-P284 HydrophobicContact CG-CG 4.25Å; E270-P284 HydrophobicContact CG-CG 4.31Å; V280-P284 HydrophobicContact CG1-CG 4.11Å; Y282-P284 VanDerWaalsContact O-CD 3.27Å; Y282-P284 WeakPolarHBondContact O-CD 3.34Å; Y282-P284 VanDerWaalsContact O-N 3.12Å; P284-V286 HydrophobicContact CB-CG2 4.39Å; P284-N300 PolarHBondContact O-ND2 3.41Å; P284-D313 CarbonylContact C-O 3.37Å; P284-D313 VanDerWaalsContact CA-O 3.24Å; P284-D313 WeakPolarHBondContact CA-O 3.15Å; P284-A314 HydrophobicContact CB-CB 4.03Å; P284-A314 HydrophobicContact CG-CB 4.39Å
285	V	98.7	Very high	97	Very high	10 Å²	10	48.9 Å²	48.9	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.7	163.9	173.8	0	0	0	0	107.5	A287 M298 L311 V312 D313	V285-A287 HydrophobicContact CG1-CB 4.25Å; V285-M298 HydrophobicContact CG2-SD 4.31Å; V285-L311 HydrophobicContact CG1-CD2 4.09Å; V285-V312 CarbonylContact O-C 3.5Å; V285-V312 VanDerWaalsContact O-CA 3.24Å; V285-V312 WeakPolarHBondContact O-CA 3.27Å; V285-D313 HydrophobicContact CB-CB 3.81Å; V285-D313 HydrophobicContact CG2-CB 4.27Å; V285-D313 PolarHBondContact N-O 2.66Å; V285-D313 PolarHBondContact O-N 3.34Å
286	V	98.7	Very high	96.9	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	96.9	173.6	-175.6	0	0	0	0	108	E262 L265 Q266 I269 P284 Y297 N300 V310 V312	E262-V286 HydrophobicContact CB-CB 4.23Å; E262-V286 HydrophobicContact CB-CG1 3.86Å; E262-V286 WeakPolarHBondContact CB-O 3.29Å; E262-V286 VanDerWaalsContact CD-O 3.23Å; E262-V286 HydrophobicContact CG-CG1 4.13Å; E262-V286 WeakPolarHBondContact CG-O 3.38Å; L265-V286 HydrophobicContact CB-CG1 4.07Å; L265-V286 HydrophobicContact CD2-CG1 3.87Å; L265-V286 HydrophobicContact CG-CG1 4.22Å; Q266-V286 HydrophobicContact CB-CG2 3.83Å; Q266-V286 HydrophobicContact CG-CG2 4.47Å; I269-V286 HydrophobicContact CD1-CG2 4.4Å; P284-V286 HydrophobicContact CB-CG2 4.39Å; V286-Y297 WeakPolarHBondContact O-CE1 3.25Å; V286-N300 HydrophobicContact CB-CB 4.38Å; V286-N300 PolarHBondContact N-OD1 3.35Å; V286-N300 PolarHBondContact O-OD1 3.34Å; V286-V310 HydrophobicContact CG1-CG2 4.2Å; V286-V312 HydrophobicContact CG1-CG2 4.16Å; V286-V312 HydrophobicContact CG2-CG1 4.42Å; V286-V312 HydrophobicContact CG2-CG2 4.38Å
287	A	98.8	Very high	97	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.2	-170.6	0	0	0	0	0	111.1	V285 R291 T292 Y297 V310 L311	V285-A287 HydrophobicContact CG1-CB 4.25Å; A287-R291 HydrophobicContact CB-CB 4.13Å; A287-T292 HydrophobicContact CB-CG2 4.41Å; A287-T292 WeakPolarHBondContact O-CG2 3.31Å; A287-Y297 HydrophobicContact CB-CD1 3.75Å; A287-Y297 HydrophobicContact CB-CE1 4.43Å; A287-Y297 HydrophobicContact CB-CG 4.15Å; A287-V310 CarbonylContact O-C 3.6Å; A287-V310 WeakPolarHBondContact O-CA 2.99Å; A287-L311 PolarHBondContact N-O 3.23Å; A287-L311 PolarHBondContact O-N 3.3Å
288	G	98.5	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	150.3	172	0	0	0	0	0	113.2	E262 R291 L309	E262-G288 PolarHBondContact OE1-N 3.21Å; G288-R291 WeakPolarHBondContact O-CB 3.29Å; G288-R291 PolarHBondContact O-N 3.27Å; G288-R291 PolarHBondContact O-NE 2.84Å; G288-R291 PolarHBondContact O-NH1 2.88Å; G288-R291 PolarHBondContact O-NH2 3.01Å; G288-R291 VanDerWaalsContact O-NH2 3.1Å; G288-L309 CarbonylContact C-O 3.56Å; G288-L309 WeakPolarHBondContact CA-O 3.33Å
289	G	97.6	Very high	97.1	Very high	14 Å²	14	59 Å²	59	14%	0.144	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	58.7	-137.7	171.8	0	0	0	0	0	113.1	R291 T292 E308 L309	G289-R291 PolarHBondContact O-N 2.91Å; G289-R291 VanDerWaalsContact O-N 3.08Å; G289-T292 VanDerWaalsContact O-CG2 3.25Å; G289-T292 WeakPolarHBondContact O-CG2 3.3Å; G289-T292 PolarHBondContact O-N 3.22Å; G289-T292 PolarHBondContact O-OG1 2.96Å; G289-E308 WeakPolarHBondContact CA-OE1 3.35Å; G289-L309 PolarHBondContact N-O 2.95Å
290	D	97.5	Very high	97.2	Very high	127 Å²	127	57.5 Å²	57.5	68%	0.679	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62	-18.8	-178.4	-169.9	48.9	0	0	0	113.9	T292 N293	D290-T292 PolarHBondContact O-N 2.87Å; D290-T292 VanDerWaalsContact O-N 3.17Å; D290-N293 WeakPolarHBondContact O-CB 3.46Å; D290-N293 PolarHBondContact O-N 3.34Å; D290-N293 VanDerWaalsContact O-N 3.12Å; D290-N293 PolarHBondContact O-ND2 3Å; D290-N293 PolarHBondContact OD1-ND2 3.09Å
291	R	98.5	Very high	97.3	Very high	43 Å²	43	60.6 Å²	60.6	16%	0.162	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-68.1	-16.1	179.7	-59.2	173	-64	-75.8	4.4	112.2	E262 A287 G288 G289 N293 I294 Y297 R303	E262-R291 IonicContact OE1-CZ 2.76Å; E262-R291 IonicContact OE1-NE 2.85Å; E262-R291 PolarHBondContact OE1-NE 2.8Å; E262-R291 IonicContact OE1-NH2 3.54Å; E262-R291 PolarHBondContact OE1-NH2 3.33Å; E262-R291 IonicContact OE2-NE 3.02Å; A287-R291 HydrophobicContact CB-CB 4.13Å; G288-R291 WeakPolarHBondContact O-CB 3.29Å; G288-R291 PolarHBondContact O-N 3.27Å; G288-R291 PolarHBondContact O-NE 2.84Å; G288-R291 PolarHBondContact O-NH1 2.88Å; G288-R291 PolarHBondContact O-NH2 3.01Å; G288-R291 VanDerWaalsContact O-NH2 3.1Å; G289-R291 PolarHBondContact O-N 2.91Å; G289-R291 VanDerWaalsContact O-N 3.08Å; R291-N293 PolarHBondContact O-N 3.47Å; R291-N293 VanDerWaalsContact O-N 3.1Å; R291-I294 WeakPolarHBondContact O-CB 3.08Å; R291-I294 PolarHBondContact O-N 2.79Å; R291-Y297 HydrophobicContact CB-CD2 4.25Å; R291-Y297 HydrophobicContact CB-CE2 4.18Å; R291-Y297 HydrophobicContact CG-CE2 4.23Å; R291-R303 PolarHBondContact NH2-O 3.44Å; R291-R303 VanDerWaalsContact NH2-O 3.09Å
292	T	97.6	Very high	97.5	Very high	41 Å²	41	63.8 Å²	63.8	25%	0.252	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-59.5	-18.4	172.1	62.6	0	0	0	0	112.8	A287 G289 D290 I294 L311	A287-T292 HydrophobicContact CB-CG2 4.41Å; A287-T292 WeakPolarHBondContact O-CG2 3.31Å; G289-T292 VanDerWaalsContact O-CG2 3.25Å; G289-T292 WeakPolarHBondContact O-CG2 3.3Å; G289-T292 PolarHBondContact O-N 3.22Å; G289-T292 PolarHBondContact O-OG1 2.96Å; D290-T292 PolarHBondContact O-N 2.87Å; D290-T292 VanDerWaalsContact O-N 3.17Å; T292-I294 VanDerWaalsContact C-N 3.27Å; T292-I294 PolarHBondContact O-N 3.24Å; T292-L311 HydrophobicContact CG2-CB 3.69Å
293	N	97.9	Very high	97.6	Very high	120 Å²	120	68.2 Å²	68.2	64%	0.642	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-80.8	-3.1	177.1	-62.4	-41.2	0	0	0	113.4	D290 R291	D290-N293 WeakPolarHBondContact O-CB 3.46Å; D290-N293 PolarHBondContact O-N 3.34Å; D290-N293 VanDerWaalsContact O-N 3.12Å; D290-N293 PolarHBondContact O-ND2 3Å; D290-N293 PolarHBondContact OD1-ND2 3.09Å; R291-N293 PolarHBondContact O-N 3.47Å; R291-N293 VanDerWaalsContact O-N 3.1Å
294	I	98	Very high	97.7	Very high	88 Å²	88	64.1 Å²	64.1	45%	0.451	31%	0.314	S	S	.	.			trans	-101.2	105.9	178.4	-57.4	168.2	0	0	0	108.8	R291 T292 H296 Y297	R291-I294 WeakPolarHBondContact O-CB 3.08Å; R291-I294 PolarHBondContact O-N 2.79Å; T292-I294 VanDerWaalsContact C-N 3.27Å; T292-I294 PolarHBondContact O-N 3.24Å; I294-H296 PolarHBondContact O-N 3.44Å; I294-Y297 HydrophobicContact CB-CD2 4.36Å; I294-Y297 HydrophobicContact CD1-CD2 3.94Å; I294-Y297 HydrophobicContact CG2-CD2 4.34Å; I294-Y297 WeakPolarHBondContact O-CB 3.21Å; I294-Y297 PolarHBondContact O-N 3.28Å
295	I	96.1	Very high	97.7	Very high	152 Å²	152	67.5 Å²	67.5	78%	0.779	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-48.7	-170.9	-58.6	176.1	0	0	0	112.7
296	H	95	Very high	97.7	Very high	155 Å²	155	72.5 Å²	72.5	72%	0.718	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	53.9	176.8	-64.1	158	0	0	0	111	I294 M298	I294-H296 PolarHBondContact O-N 3.44Å; H296-M298 PolarHBondContact O-N 2.96Å
297	Y	98	Very high	97.5	Very high	16 Å²	16	73.8 Å²	73.8	6%	0.063	37%	0.371	C	S	.	.			trans	-69	104.4	175.3	-178	-100.5	0	0	0	110.7	E262 V286 A287 R291 I294 K299 N300 N301	E262-Y297 WeakPolarHBondContact OE2-CE1 3.45Å; E262-Y297 PolarHBondContact OE2-OH 3Å; V286-Y297 WeakPolarHBondContact O-CE1 3.25Å; A287-Y297 HydrophobicContact CB-CD1 3.75Å; A287-Y297 HydrophobicContact CB-CE1 4.43Å; A287-Y297 HydrophobicContact CB-CG 4.15Å; R291-Y297 HydrophobicContact CB-CD2 4.25Å; R291-Y297 HydrophobicContact CB-CE2 4.18Å; R291-Y297 HydrophobicContact CG-CE2 4.23Å; I294-Y297 HydrophobicContact CB-CD2 4.36Å; I294-Y297 HydrophobicContact CD1-CD2 3.94Å; I294-Y297 HydrophobicContact CG2-CD2 4.34Å; I294-Y297 WeakPolarHBondContact O-CB 3.21Å; I294-Y297 PolarHBondContact O-N 3.28Å; Y297-K299 HydrophobicContact CE2-CB 4.09Å; Y297-N300 WeakPolarHBondContact CD1-OD1 3.37Å; Y297-N300 VanDerWaalsContact CE1-N 3.28Å; Y297-N300 PolarHBondContact O-OD1 2.85Å; Y297-N301 PolarHBondContact OH-OD1 3.3Å
298	M	92.9	Very high	97.4	Very high	89 Å²	89	76 Å²	76	44%	0.438	38%	0.381	S	S	.	.			trans	-106.2	-6.7	-174.1	-69.6	-50.9	-40.4	0	0	115.1	P283 V285 H296	P283-M298 HydrophobicContact CB-CE 3.1Å; P283-M298 HydrophobicContact CB-SD 4.11Å; P283-M298 HydrophobicContact CG-CE 4.34Å; V285-M298 HydrophobicContact CG2-SD 4.31Å; H296-M298 PolarHBondContact O-N 2.96Å
299	K	97.8	Very high	97.4	Very high	160 Å²	160	79.4 Å²	79.4	70%	0.696	40%	0.399	S	S	*	.			trans	-73	-37.5	-173.5	-69.1	-170.8	179.4	-177.6	0	112.2	Y297 N301	Y297-K299 HydrophobicContact CE2-CB 4.09Å; K299-N301 WeakPolarHBondContact O-CB 3.29Å; K299-N301 PolarHBondContact O-N 3.45Å; K299-N301 VanDerWaalsContact O-N 3.07Å
300	N	97.9	Very high	97.4	Very high	2 Å²	2	78.8 Å²	78.8	1%	0.011	39%	0.393	C	S	.	.			trans	42.3	46.8	175.4	-57.1	-15.7	0	0	0	113.2	E262 T263 Q266 P284 V286 Y297	E262-N300 CarbonylContact C-O 3.59Å; E262-N300 VanDerWaalsContact CB-C 3.44Å; E262-N300 HydrophobicContact CB-CB 4.19Å; T263-N300 VanDerWaalsContact CA-O 3.28Å; T263-N300 WeakPolarHBondContact CA-O 3.42Å; T263-N300 WeakPolarHBondContact CB-O 3.33Å; T263-N300 PolarHBondContact N-O 2.7Å; T263-N300 PolarHBondContact OG1-O 3.23Å; Q266-N300 VanDerWaalsContact OE1-CB 3.24Å; Q266-N300 PolarHBondContact OE1-ND2 3.43Å; P284-N300 PolarHBondContact O-ND2 3.41Å; V286-N300 HydrophobicContact CB-CB 4.38Å; V286-N300 PolarHBondContact N-OD1 3.35Å; V286-N300 PolarHBondContact O-OD1 3.34Å; Y297-N300 WeakPolarHBondContact CD1-OD1 3.37Å; Y297-N300 VanDerWaalsContact CE1-N 3.28Å; Y297-N300 PolarHBondContact O-OD1 2.85Å
301	N	98.4	Very high	97.5	Very high	92 Å²	92	74.6 Å²	74.6	49%	0.492	37%	0.37	S	S	.	.			trans	-131.1	7.5	-167.6	68.2	-9.8	0	0	0	114.3	E262 Y297 K299	E262-N301 PolarHBondContact OE2-N 3.44Å; Y297-N301 PolarHBondContact OH-OD1 3.3Å; K299-N301 WeakPolarHBondContact O-CB 3.29Å; K299-N301 PolarHBondContact O-N 3.45Å; K299-N301 VanDerWaalsContact O-N 3.07Å
302	M	98.7	Very high	97.5	Very high	90 Å²	90	72.5 Å²	72.5	44%	0.443	36%	0.362	S	S	.	.	S	Bend	trans	-99.2	156.9	179	-60	-62.2	-68.7	0	0	111.6	T261 E262	T261-M302 WeakPolarHBondContact CA-O 3.49Å; E262-M302 WeakPolarHBondContact CG-O 3.48Å; E262-M302 PolarHBondContact N-O 3.24Å; E262-M302 WeakPolarHBondContact OE2-CB 3.44Å; E262-M302 PolarHBondContact OE2-N 3.44Å
303	R	98.6	Very high	97.5	Very high	148 Å²	148	72.2 Å²	72.2	56%	0.558	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-73.1	146.8	165.4	178.9	174.8	156.3	157.1	6.2	109.6	R291 D305	R291-R303 PolarHBondContact NH2-O 3.44Å; R291-R303 VanDerWaalsContact NH2-O 3.09Å; R303-D305 IonicContact CZ-OD1 2.88Å; R303-D305 IonicContact NE-OD1 3.5Å; R303-D305 PolarHBondContact NE-OD1 3.32Å; R303-D305 IonicContact NH2-OD1 2.78Å
304	I	98.6	Very high	97.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.328	C	S	.	.			trans	-109.1	114.7	175.5	-45.3	-177.6	0	0	0	108.3	G259 I260 E262 E308 V310 V331	G259-I304 WeakPolarHBondContact CA-O 3.39Å; G259-I304 PolarHBondContact N-O 3.42Å; I260-I304 HydrophobicContact CG2-CB 4.31Å; I260-I304 HydrophobicContact CG2-CD1 4.3Å; I260-I304 HydrophobicContact CG2-CG1 4.49Å; I260-I304 PolarHBondContact O-N 2.85Å; E262-I304 HydrophobicContact CG-CD1 3.81Å; E262-I304 HydrophobicContact CG-CG1 3.81Å; I304-E308 WeakPolarHBondContact CA-OE2 3.41Å; I304-E308 HydrophobicContact CG2-CB 4.08Å; I304-V310 HydrophobicContact CD1-CB 3.84Å; I304-V310 HydrophobicContact CD1-CG2 3.51Å; I304-V310 HydrophobicContact CG2-CB 4.48Å; I304-V331 HydrophobicContact CB-CG2 4.05Å; I304-V331 HydrophobicContact CG2-CB 3.85Å; I304-V331 HydrophobicContact CG2-CG1 4.22Å; I304-V331 HydrophobicContact CG2-CG2 3.71Å
305	D	98	Very high	97.6	Very high	70 Å²	70	62.3 Å²	62.3	37%	0.374	31%	0.307	S	S	.	.			trans	-92.8	159.9	-168.8	-75.7	-39.3	0	0	0	113.5	R303 G307 E308 V331	R303-D305 IonicContact CZ-OD1 2.88Å; R303-D305 IonicContact NE-OD1 3.5Å; R303-D305 PolarHBondContact NE-OD1 3.32Å; R303-D305 IonicContact NH2-OD1 2.78Å; D305-G307 PolarHBondContact O-N 3.31Å; D305-E308 HydrophobicContact CB-CG 4.37Å; D305-E308 PolarHBondContact N-OE2 2.93Å; D305-E308 VanDerWaalsContact O-CB 3.29Å; D305-E308 WeakPolarHBondContact O-CB 3.48Å; D305-E308 WeakPolarHBondContact O-CG 3.22Å; D305-E308 PolarHBondContact O-N 3.18Å; D305-V331 WeakPolarHBondContact O-CG1 3.15Å
306	N	97.7	Very high	97.5	Very high	116 Å²	116	55 Å²	55	62%	0.62	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	129.5	-177.5	-176.3	30.4	0	0	0	111.6	P258 E308 N332	P258-N306 HydrophobicContact CB-CB 3.81Å; P258-N306 HydrophobicContact CG-CB 4.09Å; N306-E308 VanDerWaalsContact C-N 3.33Å; N306-N332 WeakPolarHBondContact OD1-CB 3.46Å; N306-N332 PolarHBondContact OD1-ND2 2.84Å
307	G	95.1	Very high	97.6	Very high	26 Å²	26	50.1 Å²	50.1	27%	0.268	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-2.8	-178.5	0	0	0	0	0	114.5	D305	D305-G307 PolarHBondContact O-N 3.31Å
308	E	97.3	Very high	97.5	Very high	47 Å²	47	51.6 Å²	51.6	22%	0.22	25%	0.252	C	S	.	.			trans	-79.6	154.9	167.9	-62.6	-170.7	136.3	0	0	111.7	G289 I304 D305 N306 V331	G289-E308 WeakPolarHBondContact CA-OE1 3.35Å; I304-E308 WeakPolarHBondContact CA-OE2 3.41Å; I304-E308 HydrophobicContact CG2-CB 4.08Å; D305-E308 HydrophobicContact CB-CG 4.37Å; D305-E308 PolarHBondContact N-OE2 2.93Å; D305-E308 VanDerWaalsContact O-CB 3.29Å; D305-E308 WeakPolarHBondContact O-CB 3.48Å; D305-E308 WeakPolarHBondContact O-CG 3.22Å; D305-E308 PolarHBondContact O-N 3.18Å; N306-E308 VanDerWaalsContact C-N 3.33Å; E308-V331 PolarHBondContact O-N 3.4Å
309	L	98	Very high	97.5	Very high	72 Å²	72	49.2 Å²	49.2	38%	0.377	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	156.5	161.4	-59.3	-179.7	0	0	0	109.4	G288 G289 T328 W329 P330 L335	G288-L309 CarbonylContact C-O 3.56Å; G288-L309 WeakPolarHBondContact CA-O 3.33Å; G289-L309 PolarHBondContact N-O 2.95Å; L309-T328 HydrophobicContact CB-CG2 3.94Å; L309-T328 HydrophobicContact CD1-CG2 3.97Å; L309-T328 HydrophobicContact CG-CG2 4.45Å; L309-W329 CarbonylContact C-O 3.58Å; L309-W329 WeakPolarHBondContact CA-O 3.45Å; L309-P330 HydrophobicContact CD2-CB 3.93Å; L309-L335 HydrophobicContact CD2-CD2 3.91Å
310	V	98.6	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.3	161.2	61.1	0	0	0	0	109	L265 V286 A287 I304 V312 T328 W329	L265-V310 HydrophobicContact CD2-CG1 4.39Å; L265-V310 HydrophobicContact CD2-CG2 3.94Å; V286-V310 HydrophobicContact CG1-CG2 4.2Å; A287-V310 CarbonylContact O-C 3.6Å; A287-V310 WeakPolarHBondContact O-CA 2.99Å; I304-V310 HydrophobicContact CD1-CB 3.84Å; I304-V310 HydrophobicContact CD1-CG2 3.51Å; I304-V310 HydrophobicContact CG2-CB 4.48Å; V310-V312 HydrophobicContact CG2-CG2 3.93Å; V310-T328 CarbonylContact O-C 3.47Å; V310-T328 WeakPolarHBondContact O-CA 3.37Å; V310-T328 WeakPolarHBondContact O-CG2 3.3Å; V310-W329 HydrophobicContact CG1-CD2 3.72Å; V310-W329 HydrophobicContact CG1-CE3 4.38Å; V310-W329 HydrophobicContact CG1-CG 4.02Å; V310-W329 HydrophobicContact CG1-CZ2 3.85Å; V310-W329 PolarHBondContact N-O 2.89Å; V310-W329 PolarHBondContact O-N 3.11Å
311	L	98.7	Very high	97.2	Very high	39 Å²	39	44.9 Å²	44.9	20%	0.204	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.9	166.6	-178.1	151.3	0	0	0	108	V285 A287 T292 T326 T328	V285-L311 HydrophobicContact CG1-CD2 4.09Å; A287-L311 PolarHBondContact N-O 3.23Å; A287-L311 PolarHBondContact O-N 3.3Å; T292-L311 HydrophobicContact CG2-CB 3.69Å; L311-T326 HydrophobicContact CD1-CG2 4.18Å; L311-T326 HydrophobicContact CD2-CG2 3.78Å; L311-T326 HydrophobicContact CG-CG2 3.86Å; L311-T328 HydrophobicContact CB-CG2 4.5Å
312	V	98.7	Very high	97.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.9	173	177	0	0	0	0	109.4	L249 L265 I269 V285 V286 V310 A314 T326 R327 W329	L249-V312 HydrophobicContact CD2-CB 4.32Å; L249-V312 HydrophobicContact CD2-CG1 3.61Å; L265-V312 HydrophobicContact CD2-CG2 4Å; I269-V312 HydrophobicContact CD1-CG1 3.54Å; I269-V312 HydrophobicContact CD1-CG2 4.37Å; V285-V312 CarbonylContact O-C 3.5Å; V285-V312 VanDerWaalsContact O-CA 3.24Å; V285-V312 WeakPolarHBondContact O-CA 3.27Å; V286-V312 HydrophobicContact CG1-CG2 4.16Å; V286-V312 HydrophobicContact CG2-CG1 4.42Å; V286-V312 HydrophobicContact CG2-CG2 4.38Å; V310-V312 HydrophobicContact CG2-CG2 3.93Å; V312-A314 HydrophobicContact CG1-CB 4.01Å; V312-T326 CarbonylContact O-C 3.57Å; V312-T326 VanDerWaalsContact O-CA 3.25Å; V312-T326 WeakPolarHBondContact O-CA 3.48Å; V312-R327 PolarHBondContact N-O 2.96Å; V312-R327 PolarHBondContact O-N 3.33Å; V312-W329 HydrophobicContact CB-CH2 3.63Å; V312-W329 HydrophobicContact CB-CZ3 3.74Å; V312-W329 HydrophobicContact CG1-CH2 4.39Å; V312-W329 HydrophobicContact CG2-CH2 3.25Å; V312-W329 HydrophobicContact CG2-CZ2 3.98Å; V312-W329 HydrophobicContact CG2-CZ3 3.75Å
313	D	98.7	Very high	97.2	Very high	34 Å²	34	39.2 Å²	39.2	18%	0.182	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.4	167.1	-159.1	-46.5	0	0	0	108.7	Y282 P284 V285 T326	Y282-D313 VanDerWaalsContact CE2-OD1 3.23Å; Y282-D313 WeakPolarHBondContact CE2-OD1 3.43Å; Y282-D313 VanDerWaalsContact CZ-OD1 3.28Å; Y282-D313 PolarHBondContact OH-OD1 3.29Å; P284-D313 CarbonylContact C-O 3.37Å; P284-D313 VanDerWaalsContact CA-O 3.24Å; P284-D313 WeakPolarHBondContact CA-O 3.15Å; V285-D313 HydrophobicContact CB-CB 3.81Å; V285-D313 HydrophobicContact CG2-CB 4.27Å; V285-D313 PolarHBondContact N-O 2.66Å; V285-D313 PolarHBondContact O-N 3.34Å; D313-T326 HydrophobicContact CB-CG2 4.11Å; D313-T326 PolarHBondContact OD2-OG1 3.34Å
314	A	98.1	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.			trans	-149.7	139	-176.6	0	0	0	0	0	112.7	L249 I269 M273 P284 V312 I325	L249-A314 HydrophobicContact CD2-CB 4.37Å; I269-A314 HydrophobicContact CG2-CB 3.96Å; M273-A314 HydrophobicContact CE-CB 3.72Å; P284-A314 HydrophobicContact CB-CB 4.03Å; P284-A314 HydrophobicContact CG-CB 4.39Å; V312-A314 HydrophobicContact CG1-CB 4.01Å; A314-I325 PolarHBondContact N-O 3.11Å
315	G	97.8	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.			trans	-128	137.1	-178.9	0	0	0	0	0	113.2	G281 Y282 S323	G281-G315 PolarHBondContact N-O 3.08Å; Y282-G315 PolarHBondContact OH-N 2.92Å; G315-S323 WeakPolarHBondContact CA-O 3.35Å
316	C	95.8	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	157.1	161	-76.7	0	0	0	0	111	S241 A244 A245 M273 C278 S279 T322 S323	S241-C316 WeakPolarHBondContact O-CB 3.34Å; S241-C316 WeakPolarHBondContact OG-CB 3.44Å; S241-C316 PolarHBondContact OG-O 2.99Å; A244-C316 HydrophobicContact CB-CB 4.36Å; A245-C316 HydrophobicContact CB-CB 4.11Å; A245-C316 PolarHBondContact N-SG 3.42Å; A245-C316 VanDerWaalsContact N-SG 3.38Å; M273-C316 VanDerWaalsContact CB-SG 3.56Å; M273-C316 WeakPolarHBondContact CG-SG 3.5Å; M273-C316 VanDerWaalsContact SD-SG 3.64Å; C278-C316 HydrophobicContact CB-CB 3.7Å; S279-C316 CarbonylContact O-C 3.55Å; S279-C316 WeakPolarHBondContact O-CA 3.32Å; C316-T322 WeakPolarHBondContact O-CA 3.49Å; C316-S323 PolarHBondContact N-OG 3.46Å; C316-S323 PolarHBondContact O-N 2.94Å; C316-S323 PolarHBondContact O-OG 3.27Å
317	R	96.3	Very high	97.2	Very high	52 Å²	52	38.2 Å²	38.2	20%	0.196	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.1	163	174.8	178	69.9	135.3	-1.7	110.5	H86 S279 Y321	H86-R317 PolarHBondContact CD2-NH1 3.3Å; H86-R317 PolarHBondContact CD2-NH2 3.1Å; H86-R317 PolarHBondContact CE1-NH1 2.86Å; H86-R317 PolarHBondContact NE2-NH1 2.95Å; S279-R317 PolarHBondContact N-O 3.11Å; S279-R317 PolarHBondContact O-N 3.02Å; S279-R317 WeakPolarHBondContact OG-CB 3.43Å; S279-R317 PolarHBondContact OG-NE 2.86Å; S279-R317 VanDerWaalsContact OG-NE 3.11Å; S279-R317 PolarHBondContact OG-O 3.24Å; R317-Y321 CarbonylContact C-O 3.5Å; R317-Y321 WeakPolarHBondContact CA-O 3.45Å
318	F	95.5	Very high	97.4	Very high	47 Å²	47	40.5 Å²	40.5	21%	0.206	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.9	179.8	-174.3	-106.7	0	0	0	109.8	T240 G320 Y321	T240-F318 HydrophobicContact CG2-CD1 3.62Å; T240-F318 HydrophobicContact CG2-CD2 4.18Å; T240-F318 HydrophobicContact CG2-CE1 3.52Å; T240-F318 HydrophobicContact CG2-CE2 4.12Å; T240-F318 HydrophobicContact CG2-CG 3.94Å; T240-F318 HydrophobicContact CG2-CZ 3.79Å; F318-G320 VanDerWaalsContact C-N 3.26Å; F318-G320 PolarHBondContact O-N 3.24Å; F318-Y321 PolarHBondContact N-O 3.33Å; F318-Y321 PolarHBondContact O-N 3.2Å
319	N	93	Very high	97.4	Very high	39 Å²	39	39.4 Å²	39.4	21%	0.209	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	42.7	179.5	-58.1	-34.1	0	0	0	114.6	S33 F92 Q237 Y321	S33-N319 WeakPolarHBondContact CB-ND2 3.5Å; S33-N319 PolarHBondContact OG-ND2 3.46Å; F92-N319 WeakPolarHBondContact CE1-O 3.32Å; Q237-N319 PolarHBondContact NE2-ND2 3.05Å; N319-Y321 VanDerWaalsContact C-N 3.29Å; N319-Y321 WeakPolarHBondContact O-CD2 3.36Å; N319-Y321 PolarHBondContact O-N 3.31Å
320	G	93.4	Very high	97.4	Very high	45 Å²	45	36.8 Å²	36.8	46%	0.464	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-6	-179.4	0	0	0	0	0	115.3	F318	F318-G320 VanDerWaalsContact C-N 3.26Å; F318-G320 PolarHBondContact O-N 3.24Å
321	Y	96.7	Very high	97.4	Very high	25 Å²	25	36.8 Å²	36.8	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.4	177.5	-63.9	-88.6	0	0	0	110.5	R43 Y233 E234 Q237 L238 S241 R317 F318 N319	R43-Y321 PolarHBondContact NH2-OH 3.48Å; Y233-Y321 HydrophobicContact CE1-CE2 4.42Å; E234-Y321 HydrophobicContact CB-CD1 4.46Å; E234-Y321 HydrophobicContact CB-CE1 3.63Å; E234-Y321 HydrophobicContact CG-CE1 3.91Å; E234-Y321 WeakPolarHBondContact CG-OH 3.31Å; E234-Y321 VanDerWaalsContact OE1-CE1 3.26Å; E234-Y321 WeakPolarHBondContact OE1-CE1 3.47Å; E234-Y321 PolarHBondContact OE1-OH 2.99Å; Q237-Y321 HydrophobicContact CB-CD2 3.3Å; Q237-Y321 HydrophobicContact CB-CE2 3.89Å; Q237-Y321 HydrophobicContact CB-CG 3.72Å; Q237-Y321 HydrophobicContact CG-CD2 3.79Å; Q237-Y321 HydrophobicContact CG-CE2 3.88Å; L238-Y321 HydrophobicContact CD1-CD1 4.42Å; L238-Y321 HydrophobicContact CD2-CD1 4.21Å; L238-Y321 HydrophobicContact CG-CD1 3.89Å; L238-Y321 HydrophobicContact CG-CG 4.32Å; S241-Y321 PolarHBondContact OG-O 2.78Å; R317-Y321 CarbonylContact C-O 3.5Å; R317-Y321 WeakPolarHBondContact CA-O 3.45Å; F318-Y321 PolarHBondContact N-O 3.33Å; F318-Y321 PolarHBondContact O-N 3.2Å; N319-Y321 VanDerWaalsContact C-N 3.29Å; N319-Y321 WeakPolarHBondContact O-CD2 3.36Å; N319-Y321 PolarHBondContact O-N 3.31Å
322	T	97.5	Very high	97.3	Very high	59 Å²	59	37.1 Å²	37.1	36%	0.362	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.3	-174.3	-60.4	0	0	0	0	110.6	Y282 C316	Y282-T322 HydrophobicContact CD1-CG2 4.1Å; Y282-T322 HydrophobicContact CE1-CG2 4.25Å; C316-T322 WeakPolarHBondContact O-CA 3.49Å
323	S	98.4	Very high	97.2	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.028	23%	0.231	C	C	.	.			trans	-91	153.4	163.6	55.2	0	0	0	0	109.7	S241 A245 G315 C316	S241-S323 PolarHBondContact O-OG 2.84Å; S241-S323 WeakPolarHBondContact OG-CB 3.3Å; S241-S323 PolarHBondContact OG-N 2.93Å; S241-S323 VanDerWaalsContact OG-N 3.13Å; S241-S323 PolarHBondContact OG-OG 2.86Å; S241-S323 VanDerWaalsContact OG-OG 3.14Å; A245-S323 WeakPolarHBondContact CB-OG 3.31Å; G315-S323 WeakPolarHBondContact CA-O 3.35Å; C316-S323 PolarHBondContact N-OG 3.46Å; C316-S323 PolarHBondContact O-N 2.94Å; C316-S323 PolarHBondContact O-OG 3.27Å
324	D	98.5	Very high	97	Very high	113 Å²	113	45.1 Å²	45.1	60%	0.604	25%	0.254	S	S	*	.			trans	-137.7	117.6	177.5	-176	-23.4	0	0	0	108.2	Y282	Y282-D324 HydrophobicContact CE1-CB 4.05Å; Y282-D324 WeakPolarHBondContact OH-CA 3.06Å; Y282-D324 PolarHBondContact OH-OD1 3.12Å
325	I	98.4	Very high	96.7	Very high	16 Å²	16	51.6 Å²	51.6	8%	0.082	29%	0.288	C	S	.	.			trans	-143.4	118.7	-171.2	-51.2	-179	0	0	0	110.4	V242 A245 V246 L249 Y282 A314 R327	V242-I325 HydrophobicContact CG1-CD1 4.42Å; A245-I325 HydrophobicContact CB-CD1 3.72Å; A245-I325 HydrophobicContact CB-CG1 4.48Å; V246-I325 HydrophobicContact CG2-CD1 3.7Å; L249-I325 HydrophobicContact CD1-CB 3.9Å; L249-I325 HydrophobicContact CD1-CG2 3.54Å; Y282-I325 PolarHBondContact OH-N 3.02Å; A314-I325 PolarHBondContact N-O 3.11Å; I325-R327 HydrophobicContact CG2-CG 4.38Å
326	T	98.5	Very high	96	Very high	55 Å²	55	58.1 Å²	58.1	34%	0.337	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136	168.4	-30.3	0	0	0	0	111.6	L311 V312 D313	L311-T326 HydrophobicContact CD1-CG2 4.18Å; L311-T326 HydrophobicContact CD2-CG2 3.78Å; L311-T326 HydrophobicContact CG-CG2 3.86Å; V312-T326 CarbonylContact O-C 3.57Å; V312-T326 VanDerWaalsContact O-CA 3.25Å; V312-T326 WeakPolarHBondContact O-CA 3.48Å; D313-T326 HydrophobicContact CB-CG2 4.11Å; D313-T326 PolarHBondContact OD2-OG1 3.34Å
327	R	98.5	Very high	95.3	Very high	130 Å²	130	63.3 Å²	63.3	49%	0.491	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.5	168.7	-70.7	-63.3	-179.5	-86.2	1.5	110.7	L249 M253 V312 I325 W329	L249-R327 HydrophobicContact CD1-CG 4.33Å; M253-R327 HydrophobicContact CE-CB 3.74Å; M253-R327 HydrophobicContact CE-CG 3.96Å; V312-R327 PolarHBondContact N-O 2.96Å; V312-R327 PolarHBondContact O-N 3.33Å; I325-R327 HydrophobicContact CG2-CG 4.38Å; R327-W329 HydrophobicContact CB-CE3 4Å; R327-W329 HydrophobicContact CB-CZ3 3.84Å; R327-W329 WeakPolarHBondContact O-CZ3 3.42Å
328	T	98.3	Very high	94.1	Very high	74 Å²	74	69.1 Å²	69.1	45%	0.454	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.8	175.1	-53.9	0	0	0	0	109.6	L309 V310 L311	L309-T328 HydrophobicContact CB-CG2 3.94Å; L309-T328 HydrophobicContact CD1-CG2 3.97Å; L309-T328 HydrophobicContact CG-CG2 4.45Å; V310-T328 CarbonylContact O-C 3.47Å; V310-T328 WeakPolarHBondContact O-CA 3.37Å; V310-T328 WeakPolarHBondContact O-CG2 3.3Å; L311-T328 HydrophobicContact CB-CG2 4.5Å
329	W	98.1	Very high	92.6	Very high	23 Å²	23	71.8 Å²	71.8	9%	0.087	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	154.2	178.1	63.5	96.7	0	0	0	112	M253 T256 L265 L309 V310 V312 R327	M253-W329 HydrophobicContact CE-CD2 4.13Å; M253-W329 HydrophobicContact CE-CE3 3.58Å; M253-W329 HydrophobicContact CE-CZ3 3.8Å; M253-W329 HydrophobicContact CG-CD2 3.78Å; M253-W329 HydrophobicContact CG-CE3 4.09Å; M253-W329 HydrophobicContact CG-CG 4.21Å; M253-W329 HydrophobicContact CG-CH2 4.21Å; M253-W329 HydrophobicContact CG-CZ2 3.94Å; M253-W329 HydrophobicContact CG-CZ3 4.29Å; T256-W329 PolarHBondContact OG1-NE1 3.21Å; T256-W329 VanDerWaalsContact OG1-NE1 3.13Å; L265-W329 HydrophobicContact CD2-CZ2 3.98Å; L309-W329 CarbonylContact C-O 3.58Å; L309-W329 WeakPolarHBondContact CA-O 3.45Å; V310-W329 HydrophobicContact CG1-CD2 3.72Å; V310-W329 HydrophobicContact CG1-CE3 4.38Å; V310-W329 HydrophobicContact CG1-CG 4.02Å; V310-W329 HydrophobicContact CG1-CZ2 3.85Å; V310-W329 PolarHBondContact N-O 2.89Å; V310-W329 PolarHBondContact O-N 3.11Å; V312-W329 HydrophobicContact CB-CH2 3.63Å; V312-W329 HydrophobicContact CB-CZ3 3.74Å; V312-W329 HydrophobicContact CG1-CH2 4.39Å; V312-W329 HydrophobicContact CG2-CH2 3.25Å; V312-W329 HydrophobicContact CG2-CZ2 3.98Å; V312-W329 HydrophobicContact CG2-CZ3 3.75Å; R327-W329 HydrophobicContact CB-CE3 4Å; R327-W329 HydrophobicContact CB-CZ3 3.84Å; R327-W329 WeakPolarHBondContact O-CZ3 3.42Å
330	P	97.8	Very high	90.9	Very high	17 Å²	17	77.1 Å²	77.1	11%	0.11	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133	173.5	29.5	-35.8	0	0	0	110.9	L309 N332 G333 M334 L335	L309-P330 HydrophobicContact CD2-CB 3.93Å; P330-N332 PolarHBondContact O-N 3.46Å; P330-N332 VanDerWaalsContact O-N 3.13Å; P330-G333 PolarHBondContact O-N 2.98Å; P330-M334 WeakPolarHBondContact CB-O 3.47Å; P330-M334 VanDerWaalsContact CG-C 3.46Å; P330-L335 HydrophobicContact CG-CD2 4.2Å; P330-L335 HydrophobicContact CG-CG 4.13Å
331	V	97.8	Very high	89.3	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.006	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.8	-177.4	81.7	0	0	0	0	112.8	T256 Q257 P258 I260 I304 D305 E308	T256-V331 HydrophobicContact CG2-CB 4.17Å; T256-V331 HydrophobicContact CG2-CG2 3.44Å; T256-V331 VanDerWaalsContact CG2-CG2 3.44Å; Q257-V331 CarbonylContact C-O 3.57Å; Q257-V331 WeakPolarHBondContact CA-O 3.38Å; P258-V331 HydrophobicContact CB-CG1 4.41Å; P258-V331 WeakPolarHBondContact CD-O 3.39Å; P258-V331 HydrophobicContact CG-CG1 4.22Å; I260-V331 HydrophobicContact CG2-CG2 3.87Å; I304-V331 HydrophobicContact CB-CG2 4.05Å; I304-V331 HydrophobicContact CG2-CB 3.85Å; I304-V331 HydrophobicContact CG2-CG1 4.22Å; I304-V331 HydrophobicContact CG2-CG2 3.71Å; D305-V331 WeakPolarHBondContact O-CG1 3.15Å; E308-V331 PolarHBondContact O-N 3.4Å
332	N	97.2	Very high	87.3	Confident	46 Å²	46	86 Å²	86	25%	0.246	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.7	177.3	68.4	5.9	0	0	0	113.7	P258 N306 P330 M334	P258-N332 HydrophobicContact CG-CB 3.82Å; N306-N332 WeakPolarHBondContact OD1-CB 3.46Å; N306-N332 PolarHBondContact OD1-ND2 2.84Å; P330-N332 PolarHBondContact O-N 3.46Å; P330-N332 VanDerWaalsContact O-N 3.13Å; N332-M334 VanDerWaalsContact C-N 3.26Å; N332-M334 PolarHBondContact O-N 3.46Å; N332-M334 PolarHBondContact OD1-N 2.76Å; N332-M334 PolarHBondContact OD1-O 3.35Å; N332-M334 VanDerWaalsContact OD1-O 3.09Å
333	G	96.2	Very high	85.2	Confident	66 Å²	66	88.9 Å²	88.9	68%	0.68	49%	0.491	S	S	*	.	S	Bend	trans	76.3	0.2	179.9	0	0	0	0	0	115.7	P330	P330-G333 PolarHBondContact O-N 2.98Å
334	M	94.2	Very high	82.9	Confident	136 Å²	136	95.8 Å²	95.8	67%	0.67	53%	0.528	S	S	*	.			trans	-124.4	121.1	-179.8	-64.2	-169	-62.4	0	0	112.1	P330 N332 K336	P330-M334 WeakPolarHBondContact CB-O 3.47Å; P330-M334 VanDerWaalsContact CG-C 3.46Å; N332-M334 VanDerWaalsContact C-N 3.26Å; N332-M334 PolarHBondContact O-N 3.46Å; N332-M334 PolarHBondContact OD1-N 2.76Å; N332-M334 PolarHBondContact OD1-O 3.35Å; N332-M334 VanDerWaalsContact OD1-O 3.09Å; M334-K336 PolarHBondContact O-N 3.46Å
335	L	91.7	Very high	80.4	Confident	136 Å²	136	99.6 Å²	99.6	71%	0.712	56%	0.556	S	S	*	*			trans	-70.5	124.8	172	-78	170.2	0	0	0	109.3	L309 P330 C337	L309-L335 HydrophobicContact CD2-CD2 3.91Å; P330-L335 HydrophobicContact CG-CD2 4.2Å; P330-L335 HydrophobicContact CG-CG 4.13Å; L335-C337 PolarHBondContact O-N 3.41Å
336	K	84.8	Confident	79.5	Confident	136 Å²	136	103.8 Å²	103.8	59%	0.591	58%	0.579	S	S	*	*			trans	-67.7	129.1	171.3	-89.3	-177.9	175.6	175.4	0	109.6	M334 F338	M334-K336 PolarHBondContact O-N 3.46Å; K336-F338 HydrophobicContact CB-CD2 4.43Å; K336-F338 HydrophobicContact CB-CE2 4.02Å; K336-F338 HydrophobicContact CB-CZ 4.3Å; K336-F338 HydrophobicContact CD-CZ 4.47Å; K336-F338 PolarHBondContact O-N 3.27Å
337	C	79.5	Confident	78.5	Confident	110 Å²	110	106.4 Å²	106.4	74%	0.743	59%	0.592	S	S	*	*			trans	-74.8	111.4	162.1	-170.7	0	0	0	0	108	L335 C339	L335-C337 PolarHBondContact O-N 3.41Å; C337-C339 PolarHBondContact O-N 2.86Å
338	F	71.6	Confident	77.4	Confident	173 Å²	173	105.1 Å²	105.1	76%	0.759	60%	0.598	S	S	*	*			trans	-85.5	88.6	165.9	-67.3	-84.9	0	0	0	107.3	K336 L340	K336-F338 HydrophobicContact CB-CD2 4.43Å; K336-F338 HydrophobicContact CB-CE2 4.02Å; K336-F338 HydrophobicContact CB-CZ 4.3Å; K336-F338 HydrophobicContact CD-CZ 4.47Å; K336-F338 PolarHBondContact O-N 3.27Å; F338-L340 PolarHBondContact O-N 2.74Å; F338-L340 VanDerWaalsContact O-N 3.17Å
339	C	63.4	Low	76.1	Confident	104 Å²	104	106.9 Å²	106.9	70%	0.703	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-62.1	118.1	159.6	-63.8	0	0	0	0	106.1	C337	C337-C339 PolarHBondContact O-N 2.86Å
340	L	58.2	Low	74.8	Confident	150 Å²	150	112.1 Å²	112.1	79%	0.785	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-50.3	132.6	167.9	-71.6	167.6	0	0	0	106.8	F338 N342	F338-L340 PolarHBondContact O-N 2.74Å; F338-L340 VanDerWaalsContact O-N 3.17Å; L340-N342 PolarHBondContact O-N 3.43Å
341	P	58.8	Low	73.2	Confident	110 Å²	110	118.5 Å²	118.5	71%	0.714	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-53	126.6	173.3	19.7	-26.4	0	0	0	106.3	V343	P341-V343 PolarHBondContact O-N 2.76Å
342	N	54.9	Low	71.5	Confident	146 Å²	146	126.9 Å²	126.9	78%	0.781	72%	0.721	S	S	*	*			trans	-44.3	108.4	174.8	-82.8	-24.4	0	0	0	106.7	L340 N344	L340-N342 PolarHBondContact O-N 3.43Å; N342-N344 PolarHBondContact O-N 3.04Å
343	V	54.1	Low	69.5	Low	120 Å²	120	133.1 Å²	133.1	73%	0.727	76%	0.758	S	S	*	*			trans	-69.1	89.4	167.9	-176.5	0	0	0	0	102.5	P341 T345	P341-V343 PolarHBondContact O-N 2.76Å; V343-T345 HydrophobicContact CG1-CG2 4.09Å; V343-T345 PolarHBondContact O-N 2.95Å
344	N	50	Low	67.3	Low	150 Å²	150	138.7 Å²	138.7	80%	0.802	76%	0.764	S	S	*	*			trans	-64.7	88.2	166.5	-78.7	-14.3	0	0	0	105.5	N342	N342-N344 PolarHBondContact O-N 3.04Å
345	T	45.9	Very low	64.8	Low	193 Å²	193	138.9 Å²	138.9	100%	1.184	77%	0.773	S	S	*	*			trans	-66.6	0	161.6	50.1	0	0	0	0	110.2	V343	V343-T345 HydrophobicContact CG1-CG2 4.09Å; V343-T345 PolarHBondContact O-N 2.95Å

Retrieved 345 of 345 residues in 593.3 ms (Link to these results)

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