A0A077Z164_TRITR Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB , UniProt , Accession A0A077Z164, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 610 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	34.5	Very low	39.4	Very low	239 Å²	239	158.6 Å²	158.6	100%	1.177	82%	0.823	S	S	*	*				0	29.1	0	-137.1	-178.2	-144.9	0	0	113.3
2	Y	35.5	Very low	39.9	Very low	248 Å²	248	156.2 Å²	156.2	97%	0.973	80%	0.801	S	S	*	*			trans	-157.3	93.5	158.2	-97.7	-85.8	0	0	0	106.2
3	G	29.1	Very low	40.4	Very low	75 Å²	75	150.6 Å²	150.6	77%	0.773	78%	0.779	S	S	*	*			trans	-156.9	137.9	-176.1	0	0	0	0	0	111.3
4	A	33.9	Very low	41.2	Very low	102 Å²	102	146.2 Å²	146.2	84%	0.843	76%	0.757	S	S	*	*			trans	72.2	91.6	170	0	0	0	0	0	117.8
5	R	35.3	Very low	41.6	Very low	250 Å²	250	138.9 Å²	138.9	94%	0.943	72%	0.72	S	S	*	*			trans	-156	27.5	160.3	-111.7	-177.5	-137.6	-165.7	6.3	116.5
6	L	34.3	Very low	41.8	Very low	181 Å²	181	134.1 Å²	134.1	95%	0.948	69%	0.694	S	S	*	*			trans	-117.2	25.5	-174.7	-94.7	156.3	0	0	0	115.8
7	S	37.1	Very low	42.1	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	69%	0.688	S	S	*	*			trans	-129.6	64.5	-176	59	0	0	0	0	115
8	Q	42.8	Very low	42.6	Very low	184 Å²	184	135.9 Å²	135.9	86%	0.86	68%	0.68	S	S	*	*			trans	-139.9	6.9	166.2	-83	-160.3	-13.3	0	0	116.6
9	H	45.4	Very low	42.8	Very low	166 Å²	166	131.4 Å²	131.4	77%	0.769	66%	0.658	S	S	*	*			trans	-106.1	43.9	-171	-72.8	69	0	0	0	115
10	S	56.5	Low	42.8	Very low	80 Å²	80	129.9 Å²	129.9	56%	0.559	65%	0.652	S	S	*	*	S	Bend	trans	-93.9	-28.9	-157.4	170.4	0	0	0	0	118.1
11	W	49.6	Very low	43.1	Very low	103 Å²	103	129.4 Å²	129.4	39%	0.39	65%	0.648	S	S	.	*	S	Bend	trans	-116.7	-31.5	-178.2	69.2	-94.1	0	0	0	115	V13 N14 L15 M84 V120	W11-V13 VanDerWaalsContact C-N 3.33Å; W11-V13 PolarHBondContact O-N 3.28Å; W11-N14 PolarHBondContact O-N 3.37Å; W11-L15 HydrophobicContact CZ3-CD2 4.12Å; W11-L15 PolarHBondContact O-N 2.65Å; W11-M84 HydrophobicContact CH2-CE 3.87Å; W11-M84 HydrophobicContact CZ2-CE 3.8Å; W11-V120 HydrophobicContact CB-CG1 4.48Å; W11-V120 HydrophobicContact CD2-CB 4.38Å; W11-V120 HydrophobicContact CE3-CB 3.57Å; W11-V120 HydrophobicContact CE3-CG1 4.11Å; W11-V120 HydrophobicContact CE3-CG2 4.28Å; W11-V120 HydrophobicContact CZ3-CB 4.07Å; W11-V120 HydrophobicContact CZ3-CG2 4.3Å
12	K	44.4	Very low	43.4	Very low	129 Å²	129	121.7 Å²	121.7	56%	0.561	62%	0.622	S	S	*	*	H	α-helix	trans	-63	-41.5	-179.2	-64.5	-179.7	-179.4	178.2	0	111.3	L15 I16	K12-L15 WeakPolarHBondContact O-CB 2.91Å; K12-L15 PolarHBondContact O-N 3.48Å; K12-I16 VanDerWaalsContact O-CG1 3.26Å; K12-I16 WeakPolarHBondContact O-CG1 3.22Å; K12-I16 PolarHBondContact O-N 3.49Å
13	V	47.4	Very low	43.6	Very low	84 Å²	84	113.7 Å²	113.7	51%	0.509	60%	0.598	S	S	.	*	H	α-helix	trans	-64	-41.4	176.4	-179.2	0	0	0	0	111.2	W11 L15 I16 R17	W11-V13 VanDerWaalsContact C-N 3.33Å; W11-V13 PolarHBondContact O-N 3.28Å; V13-L15 PolarHBondContact O-N 3.41Å; V13-I16 PolarHBondContact O-N 2.75Å; V13-R17 WeakPolarHBondContact O-CB 3.36Å; V13-R17 PolarHBondContact O-N 3.03Å
14	N	50.5	Low	44	Very low	89 Å²	89	115 Å²	115	48%	0.476	59%	0.594	S	S	.	*	H	α-helix	trans	-65.6	-36.6	175.2	-92.5	-36.2	0	0	0	112.7	W11 R18	W11-N14 PolarHBondContact O-N 3.37Å; N14-R18 WeakPolarHBondContact O-CG 2.99Å; N14-R18 PolarHBondContact O-N 3.48Å; N14-R18 VanDerWaalsContact O-N 3.14Å
15	L	48.1	Very low	44.2	Very low	37 Å²	37	119.1 Å²	119.1	19%	0.194	59%	0.593	C	S	.	*	H	α-helix	trans	-62.7	-49	172.5	-171.6	57.5	0	0	0	111	W11 K12 V13 R17 R18 I19 F117 V120	W11-L15 HydrophobicContact CZ3-CD2 4.12Å; W11-L15 PolarHBondContact O-N 2.65Å; K12-L15 WeakPolarHBondContact O-CB 2.91Å; K12-L15 PolarHBondContact O-N 3.48Å; V13-L15 PolarHBondContact O-N 3.41Å; L15-R17 VanDerWaalsContact C-N 3.32Å; L15-R17 PolarHBondContact O-N 2.98Å; L15-R18 PolarHBondContact O-N 3.39Å; L15-I19 HydrophobicContact CD1-CD1 3.9Å; L15-I19 HydrophobicContact CD1-CG1 4.39Å; L15-I19 HydrophobicContact CD2-CD1 4.39Å; L15-I19 HydrophobicContact CG-CD1 3.71Å; L15-I19 WeakPolarHBondContact O-CB 3.09Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 3.22Å; L15-F117 HydrophobicContact CD1-CD1 4.46Å; L15-V120 HydrophobicContact CB-CG1 4.04Å; L15-V120 HydrophobicContact CD1-CG1 4.25Å; L15-V120 HydrophobicContact CD1-CG2 3.82Å; L15-V120 HydrophobicContact CD2-CG2 4.13Å; L15-V120 HydrophobicContact CG-CG2 4.39Å
16	I	45.1	Very low	44.2	Very low	62 Å²	62	117.1 Å²	117.1	32%	0.318	59%	0.591	S	S	.	*	H	α-helix	trans	-60	-42.9	178.4	-68.1	163.8	0	0	0	110.4	K12 V13 R18 I19 N20 Y36	K12-I16 VanDerWaalsContact O-CG1 3.26Å; K12-I16 WeakPolarHBondContact O-CG1 3.22Å; K12-I16 PolarHBondContact O-N 3.49Å; V13-I16 PolarHBondContact O-N 2.75Å; I16-R18 PolarHBondContact O-N 2.6Å; I16-I19 PolarHBondContact O-N 2.68Å; I16-N20 WeakPolarHBondContact CG2-ND2 3.07Å; I16-N20 VanDerWaalsContact O-CB 3.27Å; I16-N20 WeakPolarHBondContact O-CB 2.79Å; I16-N20 PolarHBondContact O-N 3.27Å; I16-Y36 HydrophobicContact CD1-CD1 3.9Å; I16-Y36 HydrophobicContact CD1-CE1 4.28Å
17	R	46.4	Very low	44	Very low	156 Å²	156	113.4 Å²	113.4	59%	0.589	58%	0.576	S	S	*	*	H	α-helix	trans	-60.2	-46.8	178.1	-152.7	-170.3	95.5	158.4	7.9	111.7	V13 L15 I19 N20 E21	V13-R17 WeakPolarHBondContact O-CB 3.36Å; V13-R17 PolarHBondContact O-N 3.03Å; L15-R17 VanDerWaalsContact C-N 3.32Å; L15-R17 PolarHBondContact O-N 2.98Å; R17-I19 VanDerWaalsContact C-N 3.33Å; R17-I19 PolarHBondContact O-N 3.35Å; R17-N20 PolarHBondContact O-N 3.38Å; R17-E21 IonicContact CZ-OE1 2.78Å; R17-E21 IonicContact NE-OE1 3.12Å; R17-E21 PolarHBondContact NE-OE1 2.85Å; R17-E21 IonicContact NH2-OE1 2.72Å; R17-E21 PolarHBondContact NH2-OE1 3.26Å; R17-E21 WeakPolarHBondContact O-CB 3.49Å; R17-E21 WeakPolarHBondContact O-CG 3.38Å; R17-E21 PolarHBondContact O-N 3.44Å
18	R	51.7	Low	43.9	Very low	145 Å²	145	114.5 Å²	114.5	55%	0.547	57%	0.573	S	S	.	*	H	α-helix	trans	-66.9	-32.6	178.1	-71.5	-178.4	179.6	-167.1	-2.2	113.2	N14 L15 I16 S119	N14-R18 WeakPolarHBondContact O-CG 2.99Å; N14-R18 PolarHBondContact O-N 3.48Å; N14-R18 VanDerWaalsContact O-N 3.14Å; L15-R18 PolarHBondContact O-N 3.39Å; I16-R18 PolarHBondContact O-N 2.6Å; R18-S119 VanDerWaalsContact NH1-CB 3.29Å; R18-S119 PolarHBondContact NH1-OG 3.09Å; R18-S119 VanDerWaalsContact NH1-OG 3.14Å
19	I	45.2	Very low	43.6	Very low	50 Å²	50	112 Å²	112	26%	0.256	56%	0.564	S	S	.	*	H	α-helix	trans	-75.9	-41.7	176.7	-68.2	171.3	0	0	0	110.8	L15 I16 R17 A22 V23 F40	L15-I19 HydrophobicContact CD1-CD1 3.9Å; L15-I19 HydrophobicContact CD1-CG1 4.39Å; L15-I19 HydrophobicContact CD2-CD1 4.39Å; L15-I19 HydrophobicContact CG-CD1 3.71Å; L15-I19 WeakPolarHBondContact O-CB 3.09Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 3.22Å; I16-I19 PolarHBondContact O-N 2.68Å; R17-I19 VanDerWaalsContact C-N 3.33Å; R17-I19 PolarHBondContact O-N 3.35Å; I19-A22 CarbonylContact O-C 3.55Å; I19-A22 WeakPolarHBondContact O-CA 3.44Å; I19-A22 WeakPolarHBondContact O-CB 3.46Å; I19-A22 PolarHBondContact O-N 3.47Å; I19-V23 PolarHBondContact O-N 3.33Å; I19-F40 HydrophobicContact CD1-CD2 3.91Å; I19-F40 HydrophobicContact CD1-CE2 3.77Å; I19-F40 HydrophobicContact CG2-CD2 4.46Å
20	N	43.4	Very low	43.1	Very low	100 Å²	100	112.3 Å²	112.3	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-70.5	-31.9	177.2	-77.9	-7.2	0	0	0	112.6	I16 R17 A22 V23	I16-N20 WeakPolarHBondContact CG2-ND2 3.07Å; I16-N20 VanDerWaalsContact O-CB 3.27Å; I16-N20 WeakPolarHBondContact O-CB 2.79Å; I16-N20 PolarHBondContact O-N 3.27Å; R17-N20 PolarHBondContact O-N 3.38Å; N20-A22 PolarHBondContact O-N 3.42Å; N20-V23 PolarHBondContact O-N 2.78Å
21	E	48.8	Very low	42.4	Very low	121 Å²	121	114.8 Å²	114.8	57%	0.565	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-24	167.8	-78.2	167.5	-170.8	0	0	111.7	R17	R17-E21 IonicContact CZ-OE1 2.78Å; R17-E21 IonicContact NE-OE1 3.12Å; R17-E21 PolarHBondContact NE-OE1 2.85Å; R17-E21 IonicContact NH2-OE1 2.72Å; R17-E21 PolarHBondContact NH2-OE1 3.26Å; R17-E21 WeakPolarHBondContact O-CB 3.49Å; R17-E21 WeakPolarHBondContact O-CG 3.38Å; R17-E21 PolarHBondContact O-N 3.44Å
22	A	41.9	Very low	41.9	Very low	77 Å²	77	116.3 Å²	116.3	64%	0.636	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-20.8	179.3	0	0	0	0	0	114.4	I19 N20	I19-A22 CarbonylContact O-C 3.55Å; I19-A22 WeakPolarHBondContact O-CA 3.44Å; I19-A22 WeakPolarHBondContact O-CB 3.46Å; I19-A22 PolarHBondContact O-N 3.47Å; N20-A22 PolarHBondContact O-N 3.42Å
23	V	39.9	Very low	41.9	Very low	79 Å²	79	117.4 Å²	117.4	48%	0.479	59%	0.594	S	S	.	*	S	Bend	trans	-148.1	99.9	-175.6	-172.4	0	0	0	0	111.2	I19 N20	I19-V23 PolarHBondContact O-N 3.33Å; N20-V23 PolarHBondContact O-N 2.78Å
24	P	36.4	Very low	41.8	Very low	103 Å²	103	118.3 Å²	118.3	67%	0.669	60%	0.6	S	S	*	*			trans	-93.5	129.3	-178.3	32.1	-28.6	0	0	0	112.6
25	K	38.8	Very low	41.2	Very low	189 Å²	189	117.6 Å²	117.6	82%	0.822	59%	0.592	S	S	*	*			trans	109	122	159.6	-59	175	-177.1	-173.8	0	116.4
26	F	33.8	Very low	41.1	Very low	207 Å²	207	121.7 Å²	121.7	91%	0.908	61%	0.606	S	S	*	*			trans	144.9	80.5	145.2	-91.6	-80.2	0	0	0	110.3
27	T	30.1	Very low	41	Very low	103 Å²	103	122.9 Å²	122.9	63%	0.632	61%	0.613	S	S	*	*			trans	-85.7	162.8	159.1	50	0	0	0	0	108.7
28	D	36.3	Very low	40.7	Very low	141 Å²	141	118.1 Å²	118.1	75%	0.754	60%	0.601	S	S	*	*			trans	123.3	28	155.7	-52.9	-9.3	0	0	0	117.3
29	I	36.6	Very low	40	Very low	132 Å²	132	113.3 Å²	113.3	68%	0.677	59%	0.592	S	S	*	*	S	Bend	trans	-134.3	-28	174.4	-33.7	-179.6	0	0	0	120.3
30	F	34.7	Very low	40	Very low	172 Å²	172	113.5 Å²	113.5	75%	0.754	59%	0.591	S	S	*	*	S	Bend	trans	-150.8	152.5	-175.5	-65.8	-74	0	0	0	117.6	F35	F30-F35 WeakPolarHBondContact O-CD2 2.85Å
31	D	41.4	Very low	40	Very low	131 Å²	131	109.8 Å²	109.8	70%	0.701	57%	0.571	S	S	*	*			trans	-45.7	143.9	-171.1	-177.3	13.2	0	0	0	119.2	D33 F35	D31-D33 PolarHBondContact O-N 2.95Å; D31-F35 WeakPolarHBondContact O-CB 3.32Å; D31-F35 PolarHBondContact O-N 2.96Å
32	E	40.1	Very low	39.6	Very low	135 Å²	135	108.5 Å²	108.5	63%	0.631	57%	0.572	S	S	*	*	H	α-helix	trans	-58.9	-42	-157.7	-79.6	-172.8	137.4	0	0	115.2	T34 F35 Y36	E32-T34 PolarHBondContact O-N 3.5Å; E32-F35 PolarHBondContact O-N 3.3Å; E32-Y36 WeakPolarHBondContact O-CD2 3.26Å; E32-Y36 WeakPolarHBondContact O-CE2 3.27Å
33	D	43.1	Very low	39.9	Very low	153 Å²	153	110.1 Å²	110.1	82%	0.818	57%	0.573	S	S	*	*	H	α-helix	trans	-80.6	-16.8	-169.5	-79.5	-30.2	0	0	0	114.7	D31	D31-D33 PolarHBondContact O-N 2.95Å
34	T	46	Very low	40.6	Very low	103 Å²	103	106.8 Å²	106.8	63%	0.632	55%	0.553	S	S	*	*	H	α-helix	trans	-106.3	-14.2	176.7	-40.8	0	0	0	0	111.4	E32 Y36 T38	E32-T34 PolarHBondContact O-N 3.5Å; T34-Y36 PolarHBondContact O-N 3.26Å; T34-T38 VanDerWaalsContact O-CB 3.3Å; T34-T38 WeakPolarHBondContact O-CB 3.26Å; T34-T38 PolarHBondContact O-N 2.95Å; T34-T38 PolarHBondContact O-OG1 2.87Å
35	F	38.3	Very low	41.7	Very low	73 Å²	73	103.6 Å²	103.6	32%	0.32	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-32.8	-174.9	-169.2	-109.1	0	0	0	113.8	F30 D31 E32 L37 T38 A39	F30-F35 WeakPolarHBondContact O-CD2 2.85Å; D31-F35 WeakPolarHBondContact O-CB 3.32Å; D31-F35 PolarHBondContact O-N 2.96Å; E32-F35 PolarHBondContact O-N 3.3Å; F35-L37 PolarHBondContact O-N 3.14Å; F35-T38 PolarHBondContact O-N 3.25Å; F35-A39 HydrophobicContact CD1-CB 4.42Å; F35-A39 HydrophobicContact CE1-CB 4.24Å; F35-A39 HydrophobicContact CZ-CB 4.36Å; F35-A39 WeakPolarHBondContact O-CB 3.48Å; F35-A39 PolarHBondContact O-N 3.45Å
36	Y	44.5	Very low	43	Very low	124 Å²	124	98 Å²	98	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-74.5	-30.9	-169	-61.2	-67.2	0	0	0	115.5	I16 E32 T34	I16-Y36 HydrophobicContact CD1-CD1 3.9Å; I16-Y36 HydrophobicContact CD1-CE1 4.28Å; E32-Y36 WeakPolarHBondContact O-CD2 3.26Å; E32-Y36 WeakPolarHBondContact O-CE2 3.27Å; T34-Y36 PolarHBondContact O-N 3.26Å
37	L	43.1	Very low	45	Very low	87 Å²	87	88.9 Å²	88.9	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-83.7	-31	169.9	-137	84.6	0	0	0	110.4	F35 L41	F35-L37 PolarHBondContact O-N 3.14Å; L37-L41 HydrophobicContact CD2-CD1 4.32Å; L37-L41 WeakPolarHBondContact O-CB 3.43Å; L37-L41 WeakPolarHBondContact O-CD1 3.36Å; L37-L41 WeakPolarHBondContact O-CG 3.32Å; L37-L41 PolarHBondContact O-N 2.88Å
38	T	40.6	Very low	47.2	Very low	55 Å²	55	84.8 Å²	84.8	34%	0.337	46%	0.457	S	S	.	.	H	α-helix	trans	-81.1	-35.3	-171.9	-46.7	0	0	0	0	112.4	T34 F35 F40 L41 V42	T34-T38 VanDerWaalsContact O-CB 3.3Å; T34-T38 WeakPolarHBondContact O-CB 3.26Å; T34-T38 PolarHBondContact O-N 2.95Å; T34-T38 PolarHBondContact O-OG1 2.87Å; F35-T38 PolarHBondContact O-N 3.25Å; T38-F40 PolarHBondContact O-N 2.8Å; T38-L41 CarbonylContact O-C 3.56Å; T38-L41 WeakPolarHBondContact O-CA 3.41Å; T38-L41 PolarHBondContact O-N 2.88Å; T38-V42 HydrophobicContact CG2-CG2 3.95Å; T38-V42 WeakPolarHBondContact O-CB 3.5Å; T38-V42 WeakPolarHBondContact O-CG2 3.41Å; T38-V42 PolarHBondContact O-N 2.64Å
39	A	37.2	Very low	48.8	Very low	44 Å²	44	82.1 Å²	82.1	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-60.3	-36.5	171.4	0	0	0	0	0	111.7	F35	F35-A39 HydrophobicContact CD1-CB 4.42Å; F35-A39 HydrophobicContact CE1-CB 4.24Å; F35-A39 HydrophobicContact CZ-CB 4.36Å; F35-A39 WeakPolarHBondContact O-CB 3.48Å; F35-A39 PolarHBondContact O-N 3.45Å
40	F	44.5	Very low	50.8	Low	54 Å²	54	78.9 Å²	78.9	24%	0.237	42%	0.418	C	S	.	.	H	α-helix	trans	-73.9	-34.2	172.7	-174	-115.5	0	0	0	112.3	I19 T38 I44 L73 L77 F117	I19-F40 HydrophobicContact CD1-CD2 3.91Å; I19-F40 HydrophobicContact CD1-CE2 3.77Å; I19-F40 HydrophobicContact CG2-CD2 4.46Å; T38-F40 PolarHBondContact O-N 2.8Å; F40-I44 HydrophobicContact CD1-CD1 4.2Å; F40-I44 HydrophobicContact CE1-CD1 4.17Å; F40-I44 WeakPolarHBondContact O-CD1 3.42Å; F40-I44 VanDerWaalsContact O-CG1 3.26Å; F40-I44 WeakPolarHBondContact O-CG1 3.47Å; F40-L73 HydrophobicContact CZ-CD1 4.43Å; F40-L77 HydrophobicContact CD1-CD1 4.08Å; F40-L77 HydrophobicContact CE1-CD1 3.2Å; F40-L77 HydrophobicContact CE1-CD2 3.34Å; F40-L77 HydrophobicContact CE1-CG 3.8Å; F40-L77 HydrophobicContact CZ-CD1 3.87Å; F40-L77 HydrophobicContact CZ-CD2 3.66Å; F40-L77 HydrophobicContact CZ-CG 4.32Å; F40-F117 HydrophobicContact CZ-CE1 4.02Å; F40-F117 HydrophobicContact CZ-CZ 4.21Å
41	L	44.5	Very low	53.1	Low	23 Å²	23	70.7 Å²	70.7	12%	0.12	38%	0.382	C	S	.	.	H	α-helix	trans	-78.7	-22.3	175.3	-73.4	169	0	0	0	114.2	L37 T38 V43 I44 K49 I52	L37-L41 HydrophobicContact CD2-CD1 4.32Å; L37-L41 WeakPolarHBondContact O-CB 3.43Å; L37-L41 WeakPolarHBondContact O-CD1 3.36Å; L37-L41 WeakPolarHBondContact O-CG 3.32Å; L37-L41 PolarHBondContact O-N 2.88Å; T38-L41 CarbonylContact O-C 3.56Å; T38-L41 WeakPolarHBondContact O-CA 3.41Å; T38-L41 PolarHBondContact O-N 2.88Å; L41-V43 VanDerWaalsContact C-N 3.33Å; L41-V43 PolarHBondContact O-N 2.77Å; L41-I44 HydrophobicContact CD2-CD1 4.36Å; L41-I44 HydrophobicContact CD2-CG2 4.07Å; L41-I44 CarbonylContact O-C 3.59Å; L41-I44 WeakPolarHBondContact O-CA 3.47Å; L41-I44 VanDerWaalsContact O-CB 3.26Å; L41-I44 WeakPolarHBondContact O-CB 3.18Å; L41-I44 PolarHBondContact O-N 2.73Å; L41-K49 HydrophobicContact CB-CG 4.21Å; L41-K49 HydrophobicContact CD2-CG 4.41Å; L41-K49 WeakPolarHBondContact O-CE 3.35Å; L41-I52 HydrophobicContact CD2-CB 4.38Å; L41-I52 HydrophobicContact CD2-CD1 3.36Å; L41-I52 HydrophobicContact CD2-CG1 4.42Å; L41-I52 HydrophobicContact CD2-CG2 4.41Å
42	V	40.6	Very low	55	Low	94 Å²	94	64.9 Å²	64.9	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-73.8	-27.4	-175.9	163.6	0	0	0	0	111.7	T38	T38-V42 HydrophobicContact CG2-CG2 3.95Å; T38-V42 WeakPolarHBondContact O-CB 3.5Å; T38-V42 WeakPolarHBondContact O-CG2 3.41Å; T38-V42 PolarHBondContact O-N 2.64Å
43	V	47.5	Very low	56.9	Low	110 Å²	110	61.3 Å²	61.3	67%	0.667	34%	0.344	S	S	*	.	S	Bend	trans	-77	-15	169.5	-178.3	0	0	0	0	111.9	L41	L41-V43 VanDerWaalsContact C-N 3.33Å; L41-V43 PolarHBondContact O-N 2.77Å
44	I	53.8	Low	58.9	Low	10 Å²	10	55.6 Å²	55.6	5%	0.051	31%	0.313	C	S	.	.	S	Bend	trans	-97	120.8	-172.3	-78.8	179.5	0	0	0	107.9	F40 L41 M48 L73 L77	F40-I44 HydrophobicContact CD1-CD1 4.2Å; F40-I44 HydrophobicContact CE1-CD1 4.17Å; F40-I44 WeakPolarHBondContact O-CD1 3.42Å; F40-I44 VanDerWaalsContact O-CG1 3.26Å; F40-I44 WeakPolarHBondContact O-CG1 3.47Å; L41-I44 HydrophobicContact CD2-CD1 4.36Å; L41-I44 HydrophobicContact CD2-CG2 4.07Å; L41-I44 CarbonylContact O-C 3.59Å; L41-I44 WeakPolarHBondContact O-CA 3.47Å; L41-I44 VanDerWaalsContact O-CB 3.26Å; L41-I44 WeakPolarHBondContact O-CB 3.18Å; L41-I44 PolarHBondContact O-N 2.73Å; I44-M48 HydrophobicContact CB-CB 4.41Å; I44-M48 HydrophobicContact CB-CE 3.93Å; I44-M48 HydrophobicContact CG1-CE 4.09Å; I44-M48 HydrophobicContact CG2-CB 3.03Å; I44-M48 HydrophobicContact CG2-CE 3.65Å; I44-M48 HydrophobicContact CG2-CG 3.91Å; I44-M48 HydrophobicContact CG2-SD 3.81Å; I44-L73 HydrophobicContact CD1-CD2 3.86Å; I44-L73 HydrophobicContact CG1-CD2 4.27Å; I44-L77 HydrophobicContact CD1-CD1 3.96Å
45	G	60.7	Low	60.7	Low	36 Å²	36	50.7 Å²	50.7	37%	0.371	28%	0.283	S	S	.	.			trans	-49.1	155.2	-177.1	0	0	0	0	0	114.3	F47 M48 K49	G45-F47 PolarHBondContact O-N 3.4Å; G45-M48 PolarHBondContact O-N 2.91Å; G45-K49 PolarHBondContact O-N 3.19Å
46	S	65.9	Low	62.8	Low	71 Å²	71	49.9 Å²	49.9	50%	0.497	28%	0.281	S	S	.	.	H	α-helix	trans	-46.5	-42.7	-171.4	64	0	0	0	0	113.5	M48 K49 R50 E257	S46-M48 PolarHBondContact O-N 3.36Å; S46-K49 WeakPolarHBondContact O-CB 3.43Å; S46-K49 PolarHBondContact O-N 3.44Å; S46-R50 PolarHBondContact O-N 2.98Å; S46-E257 WeakPolarHBondContact CB-OE1 3.33Å; S46-E257 PolarHBondContact OG-OE1 3.25Å
47	F	75	Confident	64.7	Low	16 Å²	16	47 Å²	47	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-37.1	-179.1	89.1	-93.7	0	0	0	113.6	G45 R50 C51 V63 A65 S69 I251 V253	G45-F47 PolarHBondContact O-N 3.4Å; F47-R50 PolarHBondContact O-N 3.4Å; F47-C51 VanDerWaalsContact O-CB 3.28Å; F47-C51 WeakPolarHBondContact O-CB 3.25Å; F47-C51 PolarHBondContact O-N 3.35Å; F47-V63 HydrophobicContact CD2-CG1 4.11Å; F47-V63 HydrophobicContact CE2-CG1 4.17Å; F47-A65 HydrophobicContact CE2-CB 4.42Å; F47-S69 VanDerWaalsContact CE1-O 3.31Å; F47-S69 WeakPolarHBondContact CE1-O 3.41Å; F47-S69 VanDerWaalsContact CZ-O 3.27Å; F47-S69 WeakPolarHBondContact CZ-O 3.26Å; F47-I251 HydrophobicContact CB-CG2 4.11Å; F47-V253 HydrophobicContact CB-CG1 4.44Å; F47-V253 HydrophobicContact CB-CG2 3.3Å; F47-V253 HydrophobicContact CD1-CG1 4.02Å; F47-V253 HydrophobicContact CD1-CG2 3.92Å; F47-V253 HydrophobicContact CD2-CG2 3.79Å; F47-V253 HydrophobicContact CG-CG1 4.34Å; F47-V253 HydrophobicContact CG-CG2 3.4Å; F47-V253 VanDerWaalsContact CG-CG2 3.4Å
48	M	76.6	Confident	66.7	Low	17 Å²	17	52.3 Å²	52.3	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-71.4	-38.2	-177.9	-72.1	-165	-85.3	0	0	109.8	I44 G45 S46 R50 C51 I52	I44-M48 HydrophobicContact CB-CB 4.41Å; I44-M48 HydrophobicContact CB-CE 3.93Å; I44-M48 HydrophobicContact CG1-CE 4.09Å; I44-M48 HydrophobicContact CG2-CB 3.03Å; I44-M48 HydrophobicContact CG2-CE 3.65Å; I44-M48 HydrophobicContact CG2-CG 3.91Å; I44-M48 HydrophobicContact CG2-SD 3.81Å; G45-M48 PolarHBondContact O-N 2.91Å; S46-M48 PolarHBondContact O-N 3.36Å; M48-R50 VanDerWaalsContact C-N 3.32Å; M48-R50 PolarHBondContact O-N 3.43Å; M48-C51 PolarHBondContact O-N 3.41Å; M48-I52 WeakPolarHBondContact O-CB 3.24Å; M48-I52 WeakPolarHBondContact O-CD1 3.36Å; M48-I52 WeakPolarHBondContact O-CG1 3.45Å; M48-I52 PolarHBondContact O-N 3.44Å
49	K	71	Confident	68.9	Low	85 Å²	85	54.1 Å²	54.1	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-54.6	-50.2	170.8	-61.2	-174.7	176.9	173.2	0	110.9	L41 G45 S46 I52 A53	L41-K49 HydrophobicContact CB-CG 4.21Å; L41-K49 HydrophobicContact CD2-CG 4.41Å; L41-K49 WeakPolarHBondContact O-CE 3.35Å; G45-K49 PolarHBondContact O-N 3.19Å; S46-K49 WeakPolarHBondContact O-CB 3.43Å; S46-K49 PolarHBondContact O-N 3.44Å; K49-I52 PolarHBondContact O-N 3.27Å; K49-A53 WeakPolarHBondContact O-CB 3.48Å; K49-A53 PolarHBondContact O-N 3.4Å
50	R	78.1	Confident	71.6	Confident	64 Å²	64	52.5 Å²	52.5	24%	0.242	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-47.1	178.4	-172.5	174.3	178	-173.4	-5.5	112.1	S46 F47 M48 I52 A53 E54 I251	S46-R50 PolarHBondContact O-N 2.98Å; F47-R50 PolarHBondContact O-N 3.4Å; M48-R50 VanDerWaalsContact C-N 3.32Å; M48-R50 PolarHBondContact O-N 3.43Å; R50-I52 VanDerWaalsContact C-N 3.32Å; R50-I52 PolarHBondContact O-N 2.97Å; R50-A53 PolarHBondContact O-N 3.05Å; R50-E54 HydrophobicContact CG-CG 4.18Å; R50-E54 WeakPolarHBondContact O-CB 3.17Å; R50-E54 VanDerWaalsContact O-CG 3.23Å; R50-E54 WeakPolarHBondContact O-CG 3.26Å; R50-E54 PolarHBondContact O-N 2.88Å; R50-I251 HydrophobicContact CB-CD1 4.24Å; R50-I251 HydrophobicContact CG-CD1 3.87Å; R50-I251 HydrophobicContact CG-CG1 4.35Å
51	C	82.9	Confident	73.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-48.2	177.7	177.7	0	0	0	0	111.1	F47 M48 F55 V63 I251	F47-C51 VanDerWaalsContact O-CB 3.28Å; F47-C51 WeakPolarHBondContact O-CB 3.25Å; F47-C51 PolarHBondContact O-N 3.35Å; M48-C51 PolarHBondContact O-N 3.41Å; C51-F55 VanDerWaalsContact O-CB 3.29Å; C51-F55 WeakPolarHBondContact O-CB 3.15Å; C51-F55 PolarHBondContact O-N 3.4Å; C51-V63 HydrophobicContact CB-CG2 4.3Å; C51-I251 VanDerWaalsContact CA-CD1 3.48Å; C51-I251 HydrophobicContact CB-CD1 3.91Å
52	I	82.1	Confident	76.1	Confident	8 Å²	8	49 Å²	49	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-46.4	-179.9	-67.5	168.2	0	0	0	110.3	L41 M48 K49 R50 F55 L56 S74 L77 P78	L41-I52 HydrophobicContact CD2-CB 4.38Å; L41-I52 HydrophobicContact CD2-CD1 3.36Å; L41-I52 HydrophobicContact CD2-CG1 4.42Å; L41-I52 HydrophobicContact CD2-CG2 4.41Å; M48-I52 WeakPolarHBondContact O-CB 3.24Å; M48-I52 WeakPolarHBondContact O-CD1 3.36Å; M48-I52 WeakPolarHBondContact O-CG1 3.45Å; M48-I52 PolarHBondContact O-N 3.44Å; K49-I52 PolarHBondContact O-N 3.27Å; R50-I52 VanDerWaalsContact C-N 3.32Å; R50-I52 PolarHBondContact O-N 2.97Å; I52-F55 PolarHBondContact O-N 2.98Å; I52-L56 HydrophobicContact CG2-CD1 3.86Å; I52-L56 HydrophobicContact CG2-CG 4.41Å; I52-L56 WeakPolarHBondContact O-CB 3.36Å; I52-L56 VanDerWaalsContact O-CG 3.25Å; I52-L56 WeakPolarHBondContact O-CG 3.4Å; I52-L56 PolarHBondContact O-N 3.43Å; I52-S74 WeakPolarHBondContact CG1-O 3.39Å; I52-L77 HydrophobicContact CD1-CB 4.46Å; I52-L77 HydrophobicContact CD1-CD1 3.84Å; I52-P78 HydrophobicContact CG1-CG 4.37Å; I52-P78 HydrophobicContact CG2-CB 4.48Å
53	A	79.7	Confident	78.5	Confident	60 Å²	60	44.5 Å²	44.5	50%	0.496	24%	0.238	S	C	.	.	H	α-helix	trans	-60.3	-49.7	178.4	0	0	0	0	0	112.5	K49 R50 F55 L56 S57	K49-A53 WeakPolarHBondContact O-CB 3.48Å; K49-A53 PolarHBondContact O-N 3.4Å; R50-A53 PolarHBondContact O-N 3.05Å; A53-F55 VanDerWaalsContact C-N 3.34Å; A53-F55 PolarHBondContact O-N 3.5Å; A53-L56 PolarHBondContact O-N 3.38Å; A53-S57 WeakPolarHBondContact O-CB 3.45Å; A53-S57 PolarHBondContact O-N 3.16Å
54	E	84.6	Confident	80.4	Confident	33 Å²	33	40.7 Å²	40.7	15%	0.154	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-41.8	-179.8	-64.8	-75.6	-174.6	0	0	111.2	R50 S57 K59 V61	R50-E54 HydrophobicContact CG-CG 4.18Å; R50-E54 WeakPolarHBondContact O-CB 3.17Å; R50-E54 VanDerWaalsContact O-CG 3.23Å; R50-E54 WeakPolarHBondContact O-CG 3.26Å; R50-E54 PolarHBondContact O-N 2.88Å; E54-S57 WeakPolarHBondContact CA-OG 2.99Å; E54-S57 PolarHBondContact O-N 3.02Å; E54-S57 PolarHBondContact O-OG 2.67Å; E54-K59 PolarHBondContact O-N 3.03Å; E54-K59 WeakPolarHBondContact OE2-CD 3.3Å; E54-K59 WeakPolarHBondContact OE2-CE 3.33Å; E54-K59 IonicContact OE2-NZ 2.8Å; E54-K59 PolarHBondContact OE2-NZ 3.45Å; E54-V61 HydrophobicContact CB-CG2 3.71Å
55	F	82.7	Confident	81.5	Confident	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-67.8	-41.5	179.9	-148	-116.2	0	0	0	112.6	C51 I52 A53 S57 R58 V61 P78 V79 I82 V195 I197 R225	C51-F55 VanDerWaalsContact O-CB 3.29Å; C51-F55 WeakPolarHBondContact O-CB 3.15Å; C51-F55 PolarHBondContact O-N 3.4Å; I52-F55 PolarHBondContact O-N 2.98Å; A53-F55 VanDerWaalsContact C-N 3.34Å; A53-F55 PolarHBondContact O-N 3.5Å; F55-S57 VanDerWaalsContact C-N 3.27Å; F55-S57 PolarHBondContact O-N 3.31Å; F55-R58 PolarHBondContact O-N 3.1Å; F55-V61 HydrophobicContact CB-CG2 4.37Å; F55-V61 HydrophobicContact CD2-CB 4.16Å; F55-V61 HydrophobicContact CD2-CG2 3.82Å; F55-P78 HydrophobicContact CB-CB 4.21Å; F55-P78 HydrophobicContact CB-CG 4.26Å; F55-P78 HydrophobicContact CD1-CB 3.85Å; F55-P78 HydrophobicContact CD1-CG 3.79Å; F55-P78 HydrophobicContact CG-CG 4.38Å; F55-V79 HydrophobicContact CE1-CG2 4.4Å; F55-I82 HydrophobicContact CD1-CD1 3.86Å; F55-I82 HydrophobicContact CE1-CD1 4.09Å; F55-V195 HydrophobicContact CE1-CG1 3.56Å; F55-V195 HydrophobicContact CE1-CG2 4.37Å; F55-V195 HydrophobicContact CZ-CG1 3.54Å; F55-I197 HydrophobicContact CE1-CD1 3.99Å; F55-I197 HydrophobicContact CE2-CD1 4.32Å; F55-I197 HydrophobicContact CZ-CD1 3.49Å; F55-I197 VanDerWaalsContact CZ-CD1 3.49Å; F55-R225 HydrophobicContact CE2-CB 4.17Å; F55-R225 HydrophobicContact CZ-CB 4.07Å; F55-R225 WeakPolarHBondContact O-CD 3.28Å; F55-R225 PolarHBondContact O-NE 3.45Å
56	L	83.4	Confident	82	Confident	56 Å²	56	40 Å²	40	29%	0.293	20%	0.203	S	C	.	.	H	α-helix	trans	-64.4	-32.6	173.9	-69.2	176.9	0	0	0	111.9	I52 A53 R58 P78 E81 I82	I52-L56 HydrophobicContact CG2-CD1 3.86Å; I52-L56 HydrophobicContact CG2-CG 4.41Å; I52-L56 WeakPolarHBondContact O-CB 3.36Å; I52-L56 VanDerWaalsContact O-CG 3.25Å; I52-L56 WeakPolarHBondContact O-CG 3.4Å; I52-L56 PolarHBondContact O-N 3.43Å; A53-L56 PolarHBondContact O-N 3.38Å; L56-R58 PolarHBondContact O-N 3.05Å; L56-P78 HydrophobicContact CD2-CB 3.91Å; L56-P78 HydrophobicContact CG-CB 4.05Å; L56-E81 HydrophobicContact CD2-CB 4.05Å; L56-E81 HydrophobicContact CD2-CG 3.7Å; L56-I82 HydrophobicContact CD2-CG1 4.08Å
57	S	83.9	Confident	82.2	Confident	62 Å²	62	37.2 Å²	37.2	43%	0.434	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	6.5	176.1	82.3	0	0	0	0	115.4	A53 E54 F55	A53-S57 WeakPolarHBondContact O-CB 3.45Å; A53-S57 PolarHBondContact O-N 3.16Å; E54-S57 WeakPolarHBondContact CA-OG 2.99Å; E54-S57 PolarHBondContact O-N 3.02Å; E54-S57 PolarHBondContact O-OG 2.67Å; F55-S57 VanDerWaalsContact C-N 3.27Å; F55-S57 PolarHBondContact O-N 3.31Å
58	R	85.7	Confident	81.7	Confident	199 Å²	199	38.1 Å²	38.1	75%	0.751	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	21.8	179.2	-36.6	-161.5	168.3	-145.6	-1.2	116	F55 L56	F55-R58 PolarHBondContact O-N 3.1Å; L56-R58 PolarHBondContact O-N 3.05Å
59	K	86.7	Confident	81.3	Confident	94 Å²	94	38.7 Å²	38.7	41%	0.409	20%	0.202	S	C	.	.			trans	-95.6	153.3	174.2	-64.1	172.6	-173.2	174.7	0	111.4	E54	E54-K59 PolarHBondContact O-N 3.03Å; E54-K59 WeakPolarHBondContact OE2-CD 3.3Å; E54-K59 WeakPolarHBondContact OE2-CE 3.33Å; E54-K59 IonicContact OE2-NZ 2.8Å; E54-K59 PolarHBondContact OE2-NZ 3.45Å
60	D	93.2	Very high	81.4	Confident	9 Å²	9	36.1 Å²	36.1	5%	0.048	20%	0.2	C	C	.	.			trans	-73.1	146.2	163	-71.4	-5.5	0	0	0	108.9	R225 T226 M245 R246 P248 S249	D60-R225 WeakPolarHBondContact OD1-CA 3.23Å; D60-T226 CarbonylContact C-O 3.45Å; D60-T226 VanDerWaalsContact CA-O 3.24Å; D60-T226 WeakPolarHBondContact CA-O 3.32Å; D60-T226 WeakPolarHBondContact CB-O 3.2Å; D60-T226 PolarHBondContact OD1-N 3.33Å; D60-M245 HydrophobicContact CB-CB 4.33Å; D60-M245 HydrophobicContact CB-CE 3.93Å; D60-M245 VanDerWaalsContact OD2-CA 3.23Å; D60-M245 WeakPolarHBondContact OD2-CA 3.37Å; D60-M245 WeakPolarHBondContact OD2-CB 3.46Å; D60-R246 PolarHBondContact OD2-N 2.98Å; D60-P248 HydrophobicContact CB-CB 3.98Å; D60-P248 CarbonylContact O-C 3.52Å; D60-P248 VanDerWaalsContact O-CA 3.3Å; D60-P248 WeakPolarHBondContact O-CA 3.38Å; D60-S249 PolarHBondContact O-N 3.11Å
61	V	92.1	Very high	81.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.9	-175.2	-178	0	0	0	0	109.9	E54 F55 V63 T226 G227 L228 M245 S249 I251	E54-V61 HydrophobicContact CB-CG2 3.71Å; F55-V61 HydrophobicContact CB-CG2 4.37Å; F55-V61 HydrophobicContact CD2-CB 4.16Å; F55-V61 HydrophobicContact CD2-CG2 3.82Å; V61-V63 HydrophobicContact CG1-CG2 3.63Å; V61-T226 PolarHBondContact N-O 3.36Å; V61-G227 CarbonylContact O-C 3.57Å; V61-G227 WeakPolarHBondContact O-CA 3.08Å; V61-L228 PolarHBondContact O-N 2.5Å; V61-M245 WeakPolarHBondContact O-CE 3.23Å; V61-S249 CarbonylContact C-O 3.58Å; V61-S249 WeakPolarHBondContact CA-O 3.18Å; V61-I251 HydrophobicContact CG1-CD1 3.78Å; V61-I251 HydrophobicContact CG1-CG1 4.31Å
62	I	92.4	Very high	81.9	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.7	169.6	-66.3	165.3	0	0	0	107.3	L228 M233 V241 M245 P248 S249 R250 I251	I62-L228 CarbonylContact C-O 3.57Å; I62-L228 WeakPolarHBondContact CA-O 3.47Å; I62-L228 HydrophobicContact CG1-CB 4.19Å; I62-L228 HydrophobicContact CG2-CD2 4.15Å; I62-M233 HydrophobicContact CG2-CE 3.34Å; I62-V241 HydrophobicContact CD1-CB 4.38Å; I62-V241 HydrophobicContact CD1-CG1 3.64Å; I62-V241 HydrophobicContact CD1-CG2 3.73Å; I62-V241 HydrophobicContact CG1-CG2 4.41Å; I62-M245 HydrophobicContact CD1-CE 4.45Å; I62-M245 HydrophobicContact CD1-SD 4.18Å; I62-M245 HydrophobicContact CG1-CE 3.69Å; I62-M245 HydrophobicContact CG1-SD 3.88Å; I62-P248 HydrophobicContact CD1-CB 3.73Å; I62-P248 HydrophobicContact CD1-CG 3.58Å; I62-P248 HydrophobicContact CG1-CB 3.94Å; I62-P248 HydrophobicContact CG1-CG 4.34Å; I62-S249 PolarHBondContact N-O 3.13Å; I62-R250 HydrophobicContact CB-CG 4.24Å; I62-R250 HydrophobicContact CD1-CG 4.14Å; I62-I251 PolarHBondContact O-N 2.93Å
63	V	89.5	Confident	82.1	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.2	177	-175.4	0	0	0	0	109.8	F47 C51 V61 A65 L228 F229 S230 I251	F47-V63 HydrophobicContact CD2-CG1 4.11Å; F47-V63 HydrophobicContact CE2-CG1 4.17Å; C51-V63 HydrophobicContact CB-CG2 4.3Å; V61-V63 HydrophobicContact CG1-CG2 3.63Å; V63-A65 HydrophobicContact CG1-CB 4.13Å; V63-L228 PolarHBondContact N-O 2.97Å; V63-F229 HydrophobicContact CB-CD1 3.61Å; V63-F229 HydrophobicContact CB-CE1 3.72Å; V63-F229 HydrophobicContact CB-CG 4.43Å; V63-F229 HydrophobicContact CG1-CD1 4.17Å; V63-F229 HydrophobicContact CG1-CE1 4.33Å; V63-F229 HydrophobicContact CG2-CD1 3.87Å; V63-F229 HydrophobicContact CG2-CE1 3.41Å; V63-F229 VanDerWaalsContact CG2-CE1 3.41Å; V63-F229 HydrophobicContact CG2-CZ 4.01Å; V63-S230 PolarHBondContact O-N 3.23Å; V63-I251 WeakPolarHBondContact CA-O 3.03Å; V63-I251 HydrophobicContact CG2-CB 4.42Å; V63-I251 HydrophobicContact CG2-CD1 4.46Å
64	Q	87.5	Confident	82.3	Confident	30 Å²	30	34.2 Å²	34.2	14%	0.14	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	107.8	167.5	-174.7	178.2	-7.1	0	0	108.5	S230 I251 V252 V253	Q64-S230 WeakPolarHBondContact CA-O 3.29Å; Q64-I251 PolarHBondContact N-O 3.41Å; Q64-V252 HydrophobicContact CB-CG1 4.4Å; Q64-V252 HydrophobicContact CB-CG2 4.33Å; Q64-V252 CarbonylContact O-C 3.54Å; Q64-V253 PolarHBondContact O-N 3.32Å
65	A	78.8	Confident	82.6	Confident	2 Å²	2	32.7 Å²	32.7	2%	0.017	18%	0.18	C	C	.	.			trans	-143.5	149.5	178.7	0	0	0	0	0	111.6	F47 V63 S69 K71 S230 A231 V253	F47-A65 HydrophobicContact CE2-CB 4.42Å; V63-A65 HydrophobicContact CG1-CB 4.13Å; A65-S69 WeakPolarHBondContact CB-OG 3.28Å; A65-K71 HydrophobicContact CB-CD 4.04Å; A65-K71 HydrophobicContact CB-CG 4.06Å; A65-K71 PolarHBondContact O-NZ 3.14Å; A65-S230 PolarHBondContact N-O 3.48Å; A65-A231 WeakPolarHBondContact O-CA 3.41Å; A65-V253 HydrophobicContact CB-CB 3.75Å; A65-V253 HydrophobicContact CB-CG1 4.45Å; A65-V253 HydrophobicContact CB-CG2 3.75Å
66	P	70.7	Confident	83	Confident	30 Å²	30	32.6 Å²	32.6	20%	0.195	18%	0.179	C	C	.	.			trans	-60.5	162	-179.6	24.5	-34.3	0	0	0	111.9	S69 V253	P66-S69 PolarHBondContact O-OG 2.81Å; P66-V253 VanDerWaalsContact CD-O 3.29Å; P66-V253 WeakPolarHBondContact CD-O 3.48Å
67	T	69.1	Low	83	Confident	11 Å²	11	31.1 Å²	31.1	7%	0.067	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	137.3	175.9	52.6	0	0	0	0	110.7	G399	T67-G399 PolarHBondContact OG1-O 2.98Å
68	G	64.4	Low	83.2	Confident	36 Å²	36	28.2 Å²	28.2	37%	0.371	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	7.8	179.8	0	0	0	0	0	115.2	G70	G68-G70 VanDerWaalsContact C-N 3.26Å; G68-G70 PolarHBondContact O-N 3.38Å
69	S	69.3	Low	83.5	Confident	28 Å²	28	18.7 Å²	18.7	20%	0.196	12%	0.115	C	C	.	.	S	Bend	trans	-78	-2.5	177	62.7	0	0	0	0	115	F47 A65 P66	F47-S69 VanDerWaalsContact CE1-O 3.31Å; F47-S69 WeakPolarHBondContact CE1-O 3.41Å; F47-S69 VanDerWaalsContact CZ-O 3.27Å; F47-S69 WeakPolarHBondContact CZ-O 3.26Å; A65-S69 WeakPolarHBondContact CB-OG 3.28Å; P66-S69 PolarHBondContact O-OG 2.81Å
70	G	73.4	Confident	83.4	Confident	31 Å²	31	14.9 Å²	14.9	32%	0.32	10%	0.099	S	C	.	.			trans	90.5	18.3	-175.9	0	0	0	0	0	115.3	G68 T72 L73 S74	G68-G70 VanDerWaalsContact C-N 3.26Å; G68-G70 PolarHBondContact O-N 3.38Å; G70-T72 PolarHBondContact O-N 2.63Å; G70-T72 VanDerWaalsContact O-N 3.11Å; G70-L73 PolarHBondContact O-N 2.83Å; G70-S74 PolarHBondContact O-N 3.44Å
71	K	84.3	Confident	83	Confident	13 Å²	13	16.4 Å²	16.4	6%	0.057	11%	0.106	C	C	.	.	H	α-helix	trans	-45.8	-43.2	178.2	-73.1	-176.7	-72.9	-157.7	0	113.9	A65 L73 S74 Y75 F229	A65-K71 HydrophobicContact CB-CD 4.04Å; A65-K71 HydrophobicContact CB-CG 4.06Å; A65-K71 PolarHBondContact O-NZ 3.14Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 3.35Å; K71-S74 WeakPolarHBondContact O-CB 3.29Å; K71-S74 PolarHBondContact O-N 3.37Å; K71-S74 VanDerWaalsContact O-N 3.13Å; K71-S74 PolarHBondContact O-OG 3.06Å; K71-Y75 WeakPolarHBondContact O-CD1 3.14Å; K71-Y75 PolarHBondContact O-N 3.25Å; K71-F229 HydrophobicContact CB-CD1 4.3Å
72	T	86.7	Confident	82.7	Confident	35 Å²	35	16.9 Å²	16.9	22%	0.215	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-43.5	-179.9	-52.8	0	0	0	0	112.5	G70 S74 Y75 A76 V110 V113	G70-T72 PolarHBondContact O-N 2.63Å; G70-T72 VanDerWaalsContact O-N 3.11Å; T72-S74 VanDerWaalsContact C-N 3.31Å; T72-S74 PolarHBondContact O-N 3.23Å; T72-Y75 VanDerWaalsContact CA-CE1 3.49Å; T72-Y75 HydrophobicContact CG2-CE2 4.28Å; T72-A76 WeakPolarHBondContact O-CB 3.27Å; T72-A76 PolarHBondContact O-N 2.8Å; T72-V110 HydrophobicContact CG2-CB 4.4Å; T72-V110 HydrophobicContact CG2-CG1 4.22Å; T72-V110 HydrophobicContact CG2-CG2 4.03Å; T72-V113 HydrophobicContact CG2-CB 4Å; T72-V113 HydrophobicContact CG2-CG1 4.03Å; T72-V113 HydrophobicContact CG2-CG2 3.91Å
73	L	84.9	Confident	82.4	Confident	44 Å²	44	16.7 Å²	16.7	23%	0.23	11%	0.108	C	C	.	.	H	α-helix	trans	-67.4	-36.5	178.9	-170.7	64.5	0	0	0	111.2	F40 I44 G70 K71 Y75 A76 L77 F117	F40-L73 HydrophobicContact CZ-CD1 4.43Å; I44-L73 HydrophobicContact CD1-CD2 3.86Å; I44-L73 HydrophobicContact CG1-CD2 4.27Å; G70-L73 PolarHBondContact O-N 2.83Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-L73 PolarHBondContact O-N 3.35Å; L73-Y75 VanDerWaalsContact C-N 3.25Å; L73-Y75 PolarHBondContact O-N 3.02Å; L73-A76 PolarHBondContact O-N 3.1Å; L73-L77 HydrophobicContact CD1-CD1 3.79Å; L73-L77 HydrophobicContact CD1-CD2 3.91Å; L73-L77 HydrophobicContact CD1-CG 3.7Å; L73-L77 HydrophobicContact CD2-CD1 4.33Å; L73-L77 HydrophobicContact CG-CD1 3.63Å; L73-L77 HydrophobicContact CG-CG 4.03Å; L73-L77 VanDerWaalsContact O-CG 3.3Å; L73-L77 WeakPolarHBondContact O-CG 3.47Å; L73-L77 PolarHBondContact O-N 3.13Å; L73-F117 HydrophobicContact CD1-CE2 4Å; L73-F117 HydrophobicContact CD1-CZ 3.71Å
74	S	85.5	Confident	82	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-27.4	-178.2	78.1	0	0	0	0	114.7	I52 G70 K71 T72 P78 F229	I52-S74 WeakPolarHBondContact CG1-O 3.39Å; G70-S74 PolarHBondContact O-N 3.44Å; K71-S74 WeakPolarHBondContact O-CB 3.29Å; K71-S74 PolarHBondContact O-N 3.37Å; K71-S74 VanDerWaalsContact O-N 3.13Å; K71-S74 PolarHBondContact O-OG 3.06Å; T72-S74 VanDerWaalsContact C-N 3.31Å; T72-S74 PolarHBondContact O-N 3.23Å; S74-P78 VanDerWaalsContact O-CD 3.25Å; S74-P78 WeakPolarHBondContact O-CD 3.43Å; S74-P78 VanDerWaalsContact O-CG 3.28Å; S74-P78 WeakPolarHBondContact O-CG 3.31Å; S74-F229 WeakPolarHBondContact OG-CE1 3.48Å
75	Y	91.2	Very high	81.7	Confident	1 Å²	1	23.5 Å²	23.5	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-102.4	-29.3	171.5	63.4	-109.6	0	0	0	114.1	K71 T72 L73 L77 P78 V79 V99 V110 F114 I197 D199 F229	K71-Y75 WeakPolarHBondContact O-CD1 3.14Å; K71-Y75 PolarHBondContact O-N 3.25Å; T72-Y75 VanDerWaalsContact CA-CE1 3.49Å; T72-Y75 HydrophobicContact CG2-CE2 4.28Å; L73-Y75 VanDerWaalsContact C-N 3.25Å; L73-Y75 PolarHBondContact O-N 3.02Å; Y75-L77 VanDerWaalsContact C-N 3.32Å; Y75-L77 PolarHBondContact O-N 2.88Å; Y75-P78 VanDerWaalsContact O-CD 3.27Å; Y75-P78 WeakPolarHBondContact O-CD 3.28Å; Y75-P78 WeakPolarHBondContact O-CG 3.25Å; Y75-V79 WeakPolarHBondContact O-CB 3.27Å; Y75-V79 WeakPolarHBondContact O-CG2 3.24Å; Y75-V79 PolarHBondContact O-N 3.13Å; Y75-V79 VanDerWaalsContact O-N 3.08Å; Y75-V99 HydrophobicContact CE2-CG1 4.11Å; Y75-V99 HydrophobicContact CE2-CG2 4.5Å; Y75-V110 HydrophobicContact CE2-CG1 4.16Å; Y75-V110 WeakPolarHBondContact OH-CG1 3.38Å; Y75-V110 WeakPolarHBondContact OH-CG2 3.29Å; Y75-F114 HydrophobicContact CD2-CZ 4.38Å; Y75-F114 HydrophobicContact CE2-CE2 4.1Å; Y75-F114 HydrophobicContact CE2-CZ 4.35Å; Y75-I197 HydrophobicContact CD1-CG2 3.9Å; Y75-I197 HydrophobicContact CD2-CG1 4.19Å; Y75-I197 HydrophobicContact CD2-CG2 3.99Å; Y75-I197 HydrophobicContact CE1-CG2 4.05Å; Y75-I197 HydrophobicContact CE2-CG2 4.21Å; Y75-I197 HydrophobicContact CG-CD1 4.4Å; Y75-I197 HydrophobicContact CG-CG1 4.36Å; Y75-I197 HydrophobicContact CG-CG2 3.86Å; Y75-D199 HydrophobicContact CE1-CB 4.21Å; Y75-D199 PolarHBondContact OH-OD2 3.24Å; Y75-F229 HydrophobicContact CD1-CD1 4.01Å; Y75-F229 AromaticContact CD1-CD2 3.74Å; Y75-F229 HydrophobicContact CD1-CD2 3.74Å; Y75-F229 HydrophobicContact CD1-CE1 4.02Å; Y75-F229 AromaticContact CD1-CE2 3.76Å; Y75-F229 HydrophobicContact CD1-CE2 3.76Å; Y75-F229 AromaticContact CD1-CG 3.9Å; Y75-F229 HydrophobicContact CD1-CG 3.9Å; Y75-F229 AromaticContact CD1-CZ 3.93Å; Y75-F229 HydrophobicContact CD1-CZ 3.93Å; Y75-F229 HydrophobicContact CE1-CD2 4.39Å; Y75-F229 HydrophobicContact CE1-CG 4.38Å; Y75-F229 HydrophobicContact CG-CD2 4.45Å; Y75-F229 HydrophobicContact CG-CE2 4.09Å; Y75-F229 HydrophobicContact CG-CZ 4.23Å
76	A	89.3	Confident	81.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-42.3	-177.5	0	0	0	0	0	111.5	T72 L73 V79 I80 V113 F114	T72-A76 WeakPolarHBondContact O-CB 3.27Å; T72-A76 PolarHBondContact O-N 2.8Å; L73-A76 PolarHBondContact O-N 3.1Å; A76-V79 PolarHBondContact O-N 3.47Å; A76-I80 WeakPolarHBondContact O-CD1 3.07Å; A76-I80 VanDerWaalsContact O-CG1 3.29Å; A76-I80 WeakPolarHBondContact O-CG1 3.35Å; A76-I80 PolarHBondContact O-N 2.89Å; A76-V113 HydrophobicContact CB-CG1 4.25Å; A76-F114 HydrophobicContact CB-CD1 4.31Å; A76-F114 HydrophobicContact CB-CD2 4.48Å; A76-F114 HydrophobicContact CB-CE1 3.9Å; A76-F114 HydrophobicContact CB-CE2 4.11Å; A76-F114 HydrophobicContact CB-CZ 3.81Å
77	L	85.3	Confident	81.7	Confident	24 Å²	24	33.1 Å²	33.1	13%	0.126	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-55.2	179.6	-62.9	169.6	0	0	0	113.4	F40 I44 I52 L73 Y75 V79 I80 E81 F117	F40-L77 HydrophobicContact CD1-CD1 4.08Å; F40-L77 HydrophobicContact CE1-CD1 3.2Å; F40-L77 HydrophobicContact CE1-CD2 3.34Å; F40-L77 HydrophobicContact CE1-CG 3.8Å; F40-L77 HydrophobicContact CZ-CD1 3.87Å; F40-L77 HydrophobicContact CZ-CD2 3.66Å; F40-L77 HydrophobicContact CZ-CG 4.32Å; I44-L77 HydrophobicContact CD1-CD1 3.96Å; I52-L77 HydrophobicContact CD1-CB 4.46Å; I52-L77 HydrophobicContact CD1-CD1 3.84Å; L73-L77 HydrophobicContact CD1-CD1 3.79Å; L73-L77 HydrophobicContact CD1-CD2 3.91Å; L73-L77 HydrophobicContact CD1-CG 3.7Å; L73-L77 HydrophobicContact CD2-CD1 4.33Å; L73-L77 HydrophobicContact CG-CD1 3.63Å; L73-L77 HydrophobicContact CG-CG 4.03Å; L73-L77 VanDerWaalsContact O-CG 3.3Å; L73-L77 WeakPolarHBondContact O-CG 3.47Å; L73-L77 PolarHBondContact O-N 3.13Å; Y75-L77 VanDerWaalsContact C-N 3.32Å; Y75-L77 PolarHBondContact O-N 2.88Å; L77-V79 VanDerWaalsContact C-N 3.27Å; L77-V79 PolarHBondContact O-N 3.25Å; L77-I80 PolarHBondContact O-N 2.99Å; L77-E81 WeakPolarHBondContact O-CB 3.3Å; L77-E81 PolarHBondContact O-N 3.33Å; L77-F117 HydrophobicContact CD2-CD1 4.43Å; L77-F117 HydrophobicContact CD2-CE1 3.86Å; L77-F117 HydrophobicContact CD2-CE2 4.29Å; L77-F117 HydrophobicContact CD2-CZ 3.8Å
78	P	87.7	Confident	82	Confident	1 Å²	1	36 Å²	36	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-28.1	-179.3	30.5	-38.5	0	0	0	111.5	I52 F55 L56 S74 Y75 E81 I82	I52-P78 HydrophobicContact CG1-CG 4.37Å; I52-P78 HydrophobicContact CG2-CB 4.48Å; F55-P78 HydrophobicContact CB-CB 4.21Å; F55-P78 HydrophobicContact CB-CG 4.26Å; F55-P78 HydrophobicContact CD1-CB 3.85Å; F55-P78 HydrophobicContact CD1-CG 3.79Å; F55-P78 HydrophobicContact CG-CG 4.38Å; L56-P78 HydrophobicContact CD2-CB 3.91Å; L56-P78 HydrophobicContact CG-CB 4.05Å; S74-P78 VanDerWaalsContact O-CD 3.25Å; S74-P78 WeakPolarHBondContact O-CD 3.43Å; S74-P78 VanDerWaalsContact O-CG 3.28Å; S74-P78 WeakPolarHBondContact O-CG 3.31Å; Y75-P78 VanDerWaalsContact O-CD 3.27Å; Y75-P78 WeakPolarHBondContact O-CD 3.28Å; Y75-P78 WeakPolarHBondContact O-CG 3.25Å; P78-E81 PolarHBondContact O-N 3.24Å; P78-I82 VanDerWaalsContact O-CB 3.3Å; P78-I82 WeakPolarHBondContact O-CB 3.27Å; P78-I82 VanDerWaalsContact O-CD1 3.24Å; P78-I82 WeakPolarHBondContact O-CD1 3.42Å; P78-I82 WeakPolarHBondContact O-CG1 3.4Å; P78-I82 PolarHBondContact O-N 3.33Å
79	V	90.5	Very high	82.4	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-51.5	170.2	167.2	0	0	0	0	111	F55 Y75 A76 L77 E81 I82 L83 A97 F114 I165 V195 I197	F55-V79 HydrophobicContact CE1-CG2 4.4Å; Y75-V79 WeakPolarHBondContact O-CB 3.27Å; Y75-V79 WeakPolarHBondContact O-CG2 3.24Å; Y75-V79 PolarHBondContact O-N 3.13Å; Y75-V79 VanDerWaalsContact O-N 3.08Å; A76-V79 PolarHBondContact O-N 3.47Å; L77-V79 VanDerWaalsContact C-N 3.27Å; L77-V79 PolarHBondContact O-N 3.25Å; V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.08Å; V79-I82 PolarHBondContact O-N 3.39Å; V79-L83 HydrophobicContact CG1-CD1 4.28Å; V79-L83 WeakPolarHBondContact O-CG 3.41Å; V79-L83 PolarHBondContact O-N 3.46Å; V79-L83 VanDerWaalsContact O-N 3.11Å; V79-A97 HydrophobicContact CG1-CB 3.58Å; V79-F114 HydrophobicContact CB-CE1 4.08Å; V79-F114 HydrophobicContact CB-CZ 4.3Å; V79-F114 HydrophobicContact CG1-CE1 3.79Å; V79-F114 HydrophobicContact CG1-CZ 4.13Å; V79-I165 HydrophobicContact CG1-CD1 4.08Å; V79-I165 HydrophobicContact CG1-CG1 4.43Å; V79-V195 HydrophobicContact CG2-CB 4.43Å; V79-V195 HydrophobicContact CG2-CG1 3.74Å; V79-I197 HydrophobicContact CG2-CD1 4.32Å; V79-I197 HydrophobicContact CG2-CG1 4.13Å
80	I	85.7	Confident	82.8	Confident	14 Å²	14	41.6 Å²	41.6	7%	0.072	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-47.5	179.7	-69.7	161.1	0	0	0	110.1	A76 L77 I82 L83 M84 F114 F117 A121 L123 I165	A76-I80 WeakPolarHBondContact O-CD1 3.07Å; A76-I80 VanDerWaalsContact O-CG1 3.29Å; A76-I80 WeakPolarHBondContact O-CG1 3.35Å; A76-I80 PolarHBondContact O-N 2.89Å; L77-I80 PolarHBondContact O-N 2.99Å; I80-I82 PolarHBondContact O-N 2.88Å; I80-L83 PolarHBondContact O-N 3.45Å; I80-M84 HydrophobicContact CG2-CG 4.24Å; I80-M84 HydrophobicContact CG2-SD 3.68Å; I80-M84 WeakPolarHBondContact O-CB 3.29Å; I80-M84 VanDerWaalsContact O-CG 3.28Å; I80-M84 WeakPolarHBondContact O-CG 3.22Å; I80-M84 PolarHBondContact O-N 3.37Å; I80-F114 HydrophobicContact CD1-CD1 3.95Å; I80-F114 HydrophobicContact CD1-CE1 4.36Å; I80-F114 HydrophobicContact CG1-CD1 3.96Å; I80-F114 HydrophobicContact CG1-CE1 4.09Å; I80-F117 HydrophobicContact CD1-CB 3.56Å; I80-F117 HydrophobicContact CD1-CD2 3.86Å; I80-F117 HydrophobicContact CD1-CG 3.82Å; I80-A121 HydrophobicContact CG2-CB 3.79Å; I80-L123 HydrophobicContact CB-CD1 4.29Å; I80-L123 HydrophobicContact CG1-CD1 4.24Å; I80-L123 HydrophobicContact CG2-CD1 4.01Å; I80-I165 HydrophobicContact CG1-CD1 4.49Å
81	E	84	Confident	83	Confident	40 Å²	40	47.1 Å²	47.1	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-44.7	-179.9	-178.9	68.4	177	0	0	112.4	L56 L77 P78 V79 M84 K85	L56-E81 HydrophobicContact CD2-CB 4.05Å; L56-E81 HydrophobicContact CD2-CG 3.7Å; L77-E81 WeakPolarHBondContact O-CB 3.3Å; L77-E81 PolarHBondContact O-N 3.33Å; P78-E81 PolarHBondContact O-N 3.24Å; V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.08Å; E81-M84 PolarHBondContact O-N 3.46Å; E81-K85 HydrophobicContact CG-CD 4.23Å; E81-K85 WeakPolarHBondContact O-CB 3.36Å; E81-K85 PolarHBondContact O-N 3.11Å; E81-K85 VanDerWaalsContact OE1-CD 3.24Å; E81-K85 WeakPolarHBondContact OE1-CD 3.33Å; E81-K85 WeakPolarHBondContact OE1-CE 3.1Å; E81-K85 IonicContact OE1-NZ 2.6Å; E81-K85 PolarHBondContact OE1-NZ 3.38Å
82	I	86.1	Confident	82.6	Confident	11 Å²	11	52.7 Å²	52.7	6%	0.056	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-48.7	177.9	-72.6	161.4	0	0	0	110.3	F55 L56 P78 V79 I80 K85 A86 E194 V195	F55-I82 HydrophobicContact CD1-CD1 3.86Å; F55-I82 HydrophobicContact CE1-CD1 4.09Å; L56-I82 HydrophobicContact CD2-CG1 4.08Å; P78-I82 VanDerWaalsContact O-CB 3.3Å; P78-I82 WeakPolarHBondContact O-CB 3.27Å; P78-I82 VanDerWaalsContact O-CD1 3.24Å; P78-I82 WeakPolarHBondContact O-CD1 3.42Å; P78-I82 WeakPolarHBondContact O-CG1 3.4Å; P78-I82 PolarHBondContact O-N 3.33Å; V79-I82 PolarHBondContact O-N 3.39Å; I80-I82 PolarHBondContact O-N 2.88Å; I82-K85 PolarHBondContact O-N 3.46Å; I82-A86 PolarHBondContact O-N 3.3Å; I82-E194 HydrophobicContact CG2-CB 4.35Å; I82-E194 WeakPolarHBondContact CG2-OE2 3.3Å; I82-V195 HydrophobicContact CB-CG2 4.48Å; I82-V195 HydrophobicContact CD1-CG2 3.92Å; I82-V195 HydrophobicContact CG2-CG2 4.02Å
83	L	86.4	Confident	82.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68.4	-37	-179.1	-62.4	-177.1	0	0	0	112.2	V79 I80 A86 W90 A97 L123 I165	V79-L83 HydrophobicContact CG1-CD1 4.28Å; V79-L83 WeakPolarHBondContact O-CG 3.41Å; V79-L83 PolarHBondContact O-N 3.46Å; V79-L83 VanDerWaalsContact O-N 3.11Å; I80-L83 PolarHBondContact O-N 3.45Å; L83-A86 WeakPolarHBondContact O-CB 3.08Å; L83-A86 PolarHBondContact O-N 3.24Å; L83-W90 HydrophobicContact CD2-CH2 3.63Å; L83-W90 HydrophobicContact CD2-CZ2 3.41Å; L83-W90 VanDerWaalsContact CD2-CZ2 3.41Å; L83-A97 HydrophobicContact CD1-CB 4.05Å; L83-L123 HydrophobicContact CB-CD1 4.14Å; L83-L123 HydrophobicContact CB-CD2 3.8Å; L83-L123 HydrophobicContact CD1-CD1 4.37Å; L83-L123 HydrophobicContact CD1-CD2 4.24Å; L83-I165 HydrophobicContact CD1-CD1 4.04Å; L83-I165 HydrophobicContact CD1-CG1 3.55Å
84	M	81.1	Confident	82.4	Confident	21 Å²	21	54 Å²	54	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-39.9	175.2	-75.2	-177	70	0	0	112.1	W11 I80 E81 A86 A121 L123 R162	W11-M84 HydrophobicContact CH2-CE 3.87Å; W11-M84 HydrophobicContact CZ2-CE 3.8Å; I80-M84 HydrophobicContact CG2-CG 4.24Å; I80-M84 HydrophobicContact CG2-SD 3.68Å; I80-M84 WeakPolarHBondContact O-CB 3.29Å; I80-M84 VanDerWaalsContact O-CG 3.28Å; I80-M84 WeakPolarHBondContact O-CG 3.22Å; I80-M84 PolarHBondContact O-N 3.37Å; E81-M84 PolarHBondContact O-N 3.46Å; M84-A86 VanDerWaalsContact C-N 3.33Å; M84-A121 HydrophobicContact CG-CB 4.25Å; M84-A121 HydrophobicContact SD-CB 3.53Å; M84-A121 VanDerWaalsContact SD-CB 3.53Å; M84-L123 HydrophobicContact CG-CD1 4.36Å; M84-R162 PolarHBondContact O-NH1 2.88Å
85	K	80.8	Confident	82.7	Confident	151 Å²	151	54 Å²	54	66%	0.657	25%	0.245	S	C	*	.	H	α-helix	trans	-83.6	-4.7	179.2	-76.1	-177.7	163.9	165.5	0	114.2	E81 I82 K87	E81-K85 HydrophobicContact CG-CD 4.23Å; E81-K85 WeakPolarHBondContact O-CB 3.36Å; E81-K85 PolarHBondContact O-N 3.11Å; E81-K85 VanDerWaalsContact OE1-CD 3.24Å; E81-K85 WeakPolarHBondContact OE1-CD 3.33Å; E81-K85 WeakPolarHBondContact OE1-CE 3.1Å; E81-K85 IonicContact OE1-NZ 2.6Å; E81-K85 PolarHBondContact OE1-NZ 3.38Å; I82-K85 PolarHBondContact O-N 3.46Å; K85-K87 PolarHBondContact O-N 2.75Å; K85-K87 VanDerWaalsContact O-N 3.16Å
86	A	79.4	Confident	82.7	Confident	21 Å²	21	54 Å²	54	17%	0.174	25%	0.245	C	C	.	.			trans	-58	121.6	178.2	0	0	0	0	0	110.2	I82 L83 M84 K88 W90	I82-A86 PolarHBondContact O-N 3.3Å; L83-A86 WeakPolarHBondContact O-CB 3.08Å; L83-A86 PolarHBondContact O-N 3.24Å; M84-A86 VanDerWaalsContact C-N 3.33Å; A86-K88 HydrophobicContact CB-CG 4.42Å; A86-K88 PolarHBondContact O-N 3.01Å; A86-W90 HydrophobicContact CB-CZ2 3.95Å
87	K	70.7	Confident	83	Confident	214 Å²	214	54 Å²	54	93%	0.93	25%	0.245	S	C	*	.			trans	-66.7	-22.6	179	-67	-174.1	177.7	-175.7	0	112.6	K85	K85-K87 PolarHBondContact O-N 2.75Å; K85-K87 VanDerWaalsContact O-N 3.16Å
88	K	74.4	Confident	83.5	Confident	72 Å²	72	52.8 Å²	52.8	31%	0.313	24%	0.239	S	C	.	.	S	Bend	trans	-75.8	140.3	-177.6	74.6	-169.9	-171.5	-153.8	0	110.8	A86 W90 S192 E194	A86-K88 HydrophobicContact CB-CG 4.42Å; A86-K88 PolarHBondContact O-N 3.01Å; K88-W90 HydrophobicContact CD-CZ2 4.44Å; K88-W90 VanDerWaalsContact CE-CE2 3.43Å; K88-W90 HydrophobicContact CG-CD2 4.43Å; K88-W90 PolarHBondContact O-N 3.22Å; K88-S192 PolarHBondContact NZ-O 3.25Å; K88-E194 VanDerWaalsContact CE-OE1 3.27Å; K88-E194 WeakPolarHBondContact CE-OE1 3.44Å; K88-E194 IonicContact NZ-OE1 3.91Å; K88-E194 PolarHBondContact NZ-OE1 2.78Å
89	K	73.3	Confident	83.9	Confident	161 Å²	161	52.8 Å²	52.8	70%	0.7	24%	0.239	S	C	*	.			trans	-76.6	113.3	168.1	-68.3	-179.1	176.8	179.9	0	107.8	F160	K89-F160 HydrophobicContact CD-CD1 4.32Å; K89-F160 HydrophobicContact CD-CE1 3.81Å; K89-F160 HydrophobicContact CG-CD1 4.42Å; K89-F160 HydrophobicContact CG-CE1 4.4Å
90	W	77.7	Confident	84.2	Confident	19 Å²	19	52.8 Å²	52.8	7%	0.072	24%	0.239	C	C	.	.			trans	-72.1	135.4	179.6	-63.3	84.2	0	0	0	110.6	L83 A86 K88 E94 R162 E194	L83-W90 HydrophobicContact CD2-CH2 3.63Å; L83-W90 HydrophobicContact CD2-CZ2 3.41Å; L83-W90 VanDerWaalsContact CD2-CZ2 3.41Å; A86-W90 HydrophobicContact CB-CZ2 3.95Å; K88-W90 HydrophobicContact CD-CZ2 4.44Å; K88-W90 VanDerWaalsContact CE-CE2 3.43Å; K88-W90 HydrophobicContact CG-CD2 4.43Å; K88-W90 PolarHBondContact O-N 3.22Å; W90-E94 HydrophobicContact CE3-CB 3.94Å; W90-R162 VanDerWaalsContact CG-C 3.44Å; W90-R162 PolarHBondContact NE1-O 3.31Å; W90-E194 HydrophobicContact CH2-CG 4.04Å; W90-E194 HydrophobicContact CZ2-CG 4.46Å
91	K	78.9	Confident	84.6	Confident	148 Å²	148	52.1 Å²	52.1	64%	0.643	24%	0.236	S	C	*	.			trans	-72.1	156.1	167.2	-58.8	178.5	-177.6	178	0	109.5	D93 E94	K91-D93 PolarHBondContact O-N 3.05Å; K91-D93 VanDerWaalsContact O-N 3.14Å; K91-E94 HydrophobicContact CB-CB 4.4Å; K91-E94 HydrophobicContact CB-CG 3.88Å; K91-E94 HydrophobicContact CG-CG 4.39Å; K91-E94 PolarHBondContact N-OE2 3.24Å; K91-E94 PolarHBondContact O-N 2.87Å
92	K	75.1	Confident	84.7	Confident	130 Å²	130	50.6 Å²	50.6	57%	0.565	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.7	-178.9	-66.7	-173.6	175.8	-169.9	0	112.5	R124 N164	K92-R124 PolarHBondContact O-NH2 3.46Å; K92-N164 PolarHBondContact O-ND2 3.41Å
93	D	80.5	Confident	84.7	Confident	76 Å²	76	50.6 Å²	50.6	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.8	-176.2	-55.6	-33.4	0	0	0	113.6	K91 F141 C189	K91-D93 PolarHBondContact O-N 3.05Å; K91-D93 VanDerWaalsContact O-N 3.14Å; D93-F141 HydrophobicContact CB-CE1 4Å; D93-F141 HydrophobicContact CB-CZ 4.31Å; D93-F141 WeakPolarHBondContact O-CZ 3.3Å; D93-C189 WeakPolarHBondContact O-CB 3.2Å; D93-C189 PolarHBondContact O-SG 3.02Å
94	E	87.9	Confident	84.6	Confident	30 Å²	30	53.3 Å²	53.3	14%	0.14	24%	0.241	C	C	.	.			trans	-78.4	134.7	-178	-82.2	175.8	164.9	0	0	112.1	W90 K91 N164 S192	W90-E94 HydrophobicContact CE3-CB 3.94Å; K91-E94 HydrophobicContact CB-CB 4.4Å; K91-E94 HydrophobicContact CB-CG 3.88Å; K91-E94 HydrophobicContact CG-CG 4.39Å; K91-E94 PolarHBondContact N-OE2 3.24Å; K91-E94 PolarHBondContact O-N 2.87Å; E94-N164 WeakPolarHBondContact O-CB 3.3Å; E94-N164 PolarHBondContact O-N 3.32Å; E94-N164 VanDerWaalsContact O-N 3.09Å; E94-N164 PolarHBondContact O-ND2 3.37Å; E94-S192 PolarHBondContact OE1-OG 3.24Å
95	I	91.2	Very high	84.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.5	178.9	-61.3	163.6	0	0	0	108.3	A97 V98 F141 N164 V166 L186 C189 M190 L193	I95-A97 WeakPolarHBondContact CG2-O 3.38Å; I95-V98 HydrophobicContact CG2-CG2 3.79Å; I95-F141 HydrophobicContact CD1-CE2 4.25Å; I95-F141 HydrophobicContact CD1-CZ 4.45Å; I95-F141 HydrophobicContact CG1-CE2 4.24Å; I95-F141 HydrophobicContact CG1-CZ 4.4Å; I95-N164 HydrophobicContact CG1-CB 4.16Å; I95-V166 HydrophobicContact CD1-CG2 3.79Å; I95-V166 HydrophobicContact CG1-CG2 3.9Å; I95-V166 HydrophobicContact CG2-CB 4.19Å; I95-V166 HydrophobicContact CG2-CG2 3.82Å; I95-L186 HydrophobicContact CD1-CD1 3.53Å; I95-L186 HydrophobicContact CD1-CG 4.31Å; I95-C189 HydrophobicContact CD1-CB 3.82Å; I95-C189 HydrophobicContact CG1-CB 4.19Å; I95-C189 PolarHBondContact N-O 3.42Å; I95-M190 HydrophobicContact CB-CG 4.24Å; I95-M190 HydrophobicContact CD1-CG 3.73Å; I95-L193 HydrophobicContact CG2-CD1 3.91Å; I95-L193 WeakPolarHBondContact O-CA 3.17Å; I95-L193 PolarHBondContact O-N 2.93Å
96	G	91.2	Very high	84.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-29.6	-179.6	0	0	0	0	0	114.2	N164 E194 V195	G96-N164 PolarHBondContact N-O 2.91Å; G96-E194 PolarHBondContact O-N 3.32Å; G96-V195 PolarHBondContact O-N 3.18Å
97	A	94.5	Very high	85.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.5	175.7	0	0	0	0	0	112.1	V79 L83 I95 N164 I165 V166 V195	V79-A97 HydrophobicContact CG1-CB 3.58Å; L83-A97 HydrophobicContact CD1-CB 4.05Å; I95-A97 WeakPolarHBondContact CG2-O 3.38Å; A97-N164 PolarHBondContact N-O 3.21Å; A97-I165 HydrophobicContact CB-CG1 4.34Å; A97-I165 HydrophobicContact CB-CG2 4.36Å; A97-I165 WeakPolarHBondContact O-CA 3.22Å; A97-V166 PolarHBondContact O-N 3.27Å; A97-V195 CarbonylContact C-O 3.56Å; A97-V195 VanDerWaalsContact CA-O 3.26Å; A97-V195 WeakPolarHBondContact CA-O 3.31Å; A97-V195 HydrophobicContact CB-CB 4.04Å
98	V	96.2	Very high	86.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.2	173.3	170.6	0	0	0	0	108.4	I95 L100 V166 L173 M190 L193 V195 L196 I197	I95-V98 HydrophobicContact CG2-CG2 3.79Å; V98-L100 HydrophobicContact CG1-CD2 3.79Å; V98-L100 HydrophobicContact CG1-CG 4.04Å; V98-V166 CarbonylContact C-O 3.55Å; V98-V166 VanDerWaalsContact CA-O 3.3Å; V98-V166 WeakPolarHBondContact CA-O 3.39Å; V98-V166 HydrophobicContact CG2-CB 4.27Å; V98-L173 HydrophobicContact CG1-CD2 3.8Å; V98-M190 HydrophobicContact CG2-SD 4.22Å; V98-L193 HydrophobicContact CB-CD1 4.12Å; V98-L193 HydrophobicContact CB-CD2 4.44Å; V98-L193 HydrophobicContact CG2-CD1 3.6Å; V98-L193 HydrophobicContact CG2-CD2 4.35Å; V98-V195 PolarHBondContact N-O 3.09Å; V98-L196 HydrophobicContact CB-CD1 4.16Å; V98-L196 HydrophobicContact CG1-CD1 4.02Å; V98-L196 CarbonylContact O-C 3.46Å; V98-L196 WeakPolarHBondContact O-CA 3.48Å; V98-I197 PolarHBondContact O-N 3.38Å
99	V	96.9	Very high	86.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113	173.5	-173.8	0	0	0	0	108.6	Y75 V101 V110 F114 V166 I167 A168 I197	Y75-V99 HydrophobicContact CE2-CG1 4.11Å; Y75-V99 HydrophobicContact CE2-CG2 4.5Å; V99-V101 HydrophobicContact CG1-CG1 4.18Å; V99-V110 HydrophobicContact CG1-CG1 4.22Å; V99-F114 HydrophobicContact CG2-CE2 4.09Å; V99-F114 HydrophobicContact CG2-CZ 4.18Å; V99-V166 PolarHBondContact N-O 3.16Å; V99-I167 HydrophobicContact CB-CG1 4.19Å; V99-I167 HydrophobicContact CG2-CG1 4.46Å; V99-I167 WeakPolarHBondContact O-CA 3.34Å; V99-A168 PolarHBondContact O-N 2.98Å; V99-I197 HydrophobicContact CB-CB 4.3Å; V99-I197 HydrophobicContact CG1-CB 4.04Å; V99-I197 HydrophobicContact CG1-CG2 4.03Å; V99-I197 HydrophobicContact CG2-CB 4.08Å; V99-I197 HydrophobicContact CG2-CG1 4.21Å
100	L	96.2	Very high	87.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.5	177.1	-62.3	-175.5	0	0	0	110.4	V98 A168 L173 L196 I197 L198 D199 L204 L213 I216	V98-L100 HydrophobicContact CG1-CD2 3.79Å; V98-L100 HydrophobicContact CG1-CG 4.04Å; L100-A168 WeakPolarHBondContact CA-O 3.41Å; L100-A168 HydrophobicContact CD2-CB 4.31Å; L100-L173 HydrophobicContact CD2-CD2 3.62Å; L100-L196 HydrophobicContact CD1-CD1 4.23Å; L100-L196 HydrophobicContact CG-CD1 4.29Å; L100-I197 PolarHBondContact N-O 3.31Å; L100-L198 HydrophobicContact CB-CD2 4.01Å; L100-L198 HydrophobicContact CD1-CD2 3.7Å; L100-L198 HydrophobicContact CG-CD2 4.21Å; L100-D199 PolarHBondContact O-N 2.7Å; L100-L204 HydrophobicContact CB-CD1 4.42Å; L100-L213 HydrophobicContact CD1-CD2 3.48Å; L100-L213 VanDerWaalsContact CD1-CD2 3.48Å; L100-I216 HydrophobicContact CD1-CD1 4.25Å; L100-I216 HydrophobicContact CD1-CG2 4.34Å; L100-I216 HydrophobicContact CD2-CD1 4.47Å
101	V	93.3	Very high	88.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.			trans	-132.1	147.1	-177.4	-65.5	0	0	0	0	111.2	V99 S103 L106 A107 V110 I167 A168 T169 P170 D199	V99-V101 HydrophobicContact CG1-CG1 4.18Å; V101-S103 PolarHBondContact O-N 3.03Å; V101-L106 HydrophobicContact CB-CD2 3.94Å; V101-L106 HydrophobicContact CB-CG 4.07Å; V101-L106 HydrophobicContact CG1-CD2 4Å; V101-L106 HydrophobicContact CG1-CG 3.98Å; V101-A107 HydrophobicContact CG2-CB 3.45Å; V101-A107 VanDerWaalsContact CG2-CB 3.45Å; V101-V110 HydrophobicContact CG1-CG2 4.26Å; V101-I167 HydrophobicContact CG1-CG2 4.46Å; V101-I167 HydrophobicContact CG2-CG2 4.23Å; V101-A168 PolarHBondContact N-O 2.77Å; V101-T169 WeakPolarHBondContact O-CA 3.41Å; V101-P170 WeakPolarHBondContact O-CD 3.39Å; V101-D199 HydrophobicContact CG1-CB 4.15Å
102	P	87.9	Confident	88.4	Confident	8 Å²	8	23.1 Å²	23.1	5%	0.052	12%	0.124	C	C	.	.	S	Bend	trans	-72.7	-24.3	-175.9	26.4	-38.2	0	0	0	115	L106 D199 E200 R203 L204 L207	P102-L106 HydrophobicContact CG-CD2 4.08Å; P102-D199 WeakPolarHBondContact CD-O 3.28Å; P102-E200 HydrophobicContact CG-CB 3.8Å; P102-E200 HydrophobicContact CG-CG 4.5Å; P102-R203 HydrophobicContact CB-CB 4Å; P102-R203 HydrophobicContact CG-CB 4.04Å; P102-L204 HydrophobicContact CB-CD2 3.96Å; P102-L207 HydrophobicContact CB-CD1 3.77Å
103	S	84.5	Confident	88.9	Confident	12 Å²	12	19.1 Å²	19.1	8%	0.084	11%	0.11	C	C	.	.	S	Bend	trans	-133.5	158.1	-172.9	75	0	0	0	0	112.2	V101 E105 L106 A107 R372	V101-S103 PolarHBondContact O-N 3.03Å; S103-E105 VanDerWaalsContact C-N 3.3Å; S103-L106 VanDerWaalsContact OG-CB 3.29Å; S103-L106 WeakPolarHBondContact OG-CB 3.24Å; S103-L106 PolarHBondContact OG-N 3.15Å; S103-A107 WeakPolarHBondContact O-CB 3.36Å; S103-A107 PolarHBondContact O-N 3.29Å; S103-A107 VanDerWaalsContact O-N 3.17Å; S103-R372 PolarHBondContact OG-O 3.2Å
104	R	84.8	Confident	89.2	Confident	57 Å²	57	15.5 Å²	15.5	22%	0.215	9%	0.091	C	C	.	.	H	α-helix	trans	-73.5	-29.7	-179.1	-47	-173.9	-170.2	159.1	-4.5	111.4	A107 G108 V129 G130 G131 T169	R104-A107 WeakPolarHBondContact O-CB 3.31Å; R104-A107 PolarHBondContact O-N 2.81Å; R104-G108 PolarHBondContact O-N 3.32Å; R104-V129 HydrophobicContact CB-CB 4.01Å; R104-V129 HydrophobicContact CB-CG1 4.12Å; R104-V129 HydrophobicContact CB-CG2 4.42Å; R104-V129 HydrophobicContact CG-CB 3.89Å; R104-V129 HydrophobicContact CG-CG1 4.36Å; R104-G130 WeakPolarHBondContact CD-O 3.4Å; R104-G130 PolarHBondContact NE-O 3.06Å; R104-G130 PolarHBondContact NH1-O 3.1Å; R104-G130 VanDerWaalsContact NH1-O 3.16Å; R104-G131 VanDerWaalsContact NH2-N 3.13Å; R104-T169 HydrophobicContact CG-CG2 4.38Å
105	E	81.7	Confident	88.9	Confident	8 Å²	8	17.3 Å²	17.3	4%	0.037	10%	0.1	C	C	.	.	H	α-helix	trans	-69.8	-49.1	-179.6	-67.3	56.5	-125.7	0	0	109.6	S103 A107 G108 Q109 R349 M370 V374	S103-E105 VanDerWaalsContact C-N 3.3Å; E105-A107 VanDerWaalsContact C-N 3.26Å; E105-A107 PolarHBondContact O-N 2.82Å; E105-G108 PolarHBondContact O-N 2.8Å; E105-G108 VanDerWaalsContact O-N 3.1Å; E105-Q109 PolarHBondContact O-N 2.79Å; E105-R349 VanDerWaalsContact CD-CZ 3.41Å; E105-R349 VanDerWaalsContact CD-NE 3.3Å; E105-R349 IonicContact OE1-CZ 3.57Å; E105-R349 IonicContact OE1-NE 3.7Å; E105-R349 PolarHBondContact OE1-NE 3.14Å; E105-R349 IonicContact OE1-NH2 3.73Å; E105-R349 PolarHBondContact OE1-NH2 3.14Å; E105-R349 IonicContact OE2-CZ 2.89Å; E105-R349 VanDerWaalsContact OE2-CZ 3.28Å; E105-R349 IonicContact OE2-NE 3.74Å; E105-R349 IonicContact OE2-NH1 3.03Å; E105-R349 IonicContact OE2-NH2 3.68Å; E105-R349 PolarHBondContact OE2-NH2 3.21Å; E105-M370 HydrophobicContact CG-CE 3.99Å; E105-M370 HydrophobicContact CG-SD 4.07Å; E105-V374 HydrophobicContact CB-CB 4.44Å; E105-V374 HydrophobicContact CB-CG1 4.1Å; E105-V374 HydrophobicContact CB-CG2 3.41Å; E105-V374 VanDerWaalsContact CB-CG2 3.41Å; E105-V374 HydrophobicContact CG-CG2 4.25Å
106	L	85.9	Confident	88.2	Confident	5 Å²	5	20.4 Å²	20.4	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-40.9	173.1	175.4	58.1	0	0	0	110.7	V101 P102 S103 G108 Q109 V110 E200 G373	V101-L106 HydrophobicContact CB-CD2 3.94Å; V101-L106 HydrophobicContact CB-CG 4.07Å; V101-L106 HydrophobicContact CG1-CD2 4Å; V101-L106 HydrophobicContact CG1-CG 3.98Å; P102-L106 HydrophobicContact CG-CD2 4.08Å; S103-L106 VanDerWaalsContact OG-CB 3.29Å; S103-L106 WeakPolarHBondContact OG-CB 3.24Å; S103-L106 PolarHBondContact OG-N 3.15Å; L106-G108 VanDerWaalsContact C-N 3.28Å; L106-G108 PolarHBondContact O-N 2.86Å; L106-Q109 PolarHBondContact O-N 2.8Å; L106-Q109 VanDerWaalsContact O-N 3.1Å; L106-V110 HydrophobicContact CD1-CG2 3.74Å; L106-V110 HydrophobicContact CG-CG2 4.15Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.01Å; L106-E200 HydrophobicContact CD2-CB 4.45Å; L106-E200 HydrophobicContact CD2-CG 3.81Å; L106-G373 WeakPolarHBondContact CD1-O 3.49Å
107	A	90	Very high	87.4	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.8	-41.6	175.4	0	0	0	0	0	112.6	V101 S103 R104 E105 K111 L127 V129 I167	V101-A107 HydrophobicContact CG2-CB 3.45Å; V101-A107 VanDerWaalsContact CG2-CB 3.45Å; S103-A107 WeakPolarHBondContact O-CB 3.36Å; S103-A107 PolarHBondContact O-N 3.29Å; S103-A107 VanDerWaalsContact O-N 3.17Å; R104-A107 WeakPolarHBondContact O-CB 3.31Å; R104-A107 PolarHBondContact O-N 2.81Å; E105-A107 VanDerWaalsContact C-N 3.26Å; E105-A107 PolarHBondContact O-N 2.82Å; A107-K111 VanDerWaalsContact O-CB 3.3Å; A107-K111 WeakPolarHBondContact O-CB 3.22Å; A107-K111 PolarHBondContact O-N 3.38Å; A107-L127 HydrophobicContact CB-CD1 3.48Å; A107-L127 VanDerWaalsContact CB-CD1 3.48Å; A107-V129 HydrophobicContact CB-CG1 3.56Å; A107-I167 HydrophobicContact CB-CG2 3.96Å
108	G	87.6	Confident	86.4	Confident	26 Å²	26	22.8 Å²	22.8	27%	0.268	14%	0.136	S	C	.	.	H	α-helix	trans	-64.1	-41.5	174.2	0	0	0	0	0	113	R104 E105 L106 K111 A112	R104-G108 PolarHBondContact O-N 3.32Å; E105-G108 PolarHBondContact O-N 2.8Å; E105-G108 VanDerWaalsContact O-N 3.1Å; L106-G108 VanDerWaalsContact C-N 3.28Å; L106-G108 PolarHBondContact O-N 2.86Å; G108-K111 WeakPolarHBondContact O-CB 3.41Å; G108-K111 PolarHBondContact O-N 2.85Å; G108-A112 PolarHBondContact O-N 3.18Å
109	Q	84.5	Confident	84.9	Confident	39 Å²	39	25.7 Å²	25.7	18%	0.182	16%	0.156	C	C	.	.	H	α-helix	trans	-66.8	-46.7	177.6	-69.4	-174.1	-28.6	0	0	112.7	E105 L106 K111 A112 V113 V374 D375	E105-Q109 PolarHBondContact O-N 2.79Å; L106-Q109 PolarHBondContact O-N 2.8Å; L106-Q109 VanDerWaalsContact O-N 3.1Å; Q109-K111 VanDerWaalsContact C-N 3.25Å; Q109-K111 PolarHBondContact O-N 2.83Å; Q109-A112 WeakPolarHBondContact O-CB 3.49Å; Q109-A112 PolarHBondContact O-N 2.81Å; Q109-A112 VanDerWaalsContact O-N 3.12Å; Q109-V113 PolarHBondContact O-N 3.01Å; Q109-V374 VanDerWaalsContact NE2-CG1 3.28Å; Q109-V374 VanDerWaalsContact OE1-CA 3.26Å; Q109-D375 VanDerWaalsContact CD-N 3.33Å; Q109-D375 PolarHBondContact NE2-O 2.98Å
110	V	90.2	Very high	83.5	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-40.7	175.4	177.5	0	0	0	0	110	T72 Y75 V99 V101 L106 A112 V113 F114 I167	T72-V110 HydrophobicContact CG2-CB 4.4Å; T72-V110 HydrophobicContact CG2-CG1 4.22Å; T72-V110 HydrophobicContact CG2-CG2 4.03Å; Y75-V110 HydrophobicContact CE2-CG1 4.16Å; Y75-V110 WeakPolarHBondContact OH-CG1 3.38Å; Y75-V110 WeakPolarHBondContact OH-CG2 3.29Å; V99-V110 HydrophobicContact CG1-CG1 4.22Å; V101-V110 HydrophobicContact CG1-CG2 4.26Å; L106-V110 HydrophobicContact CD1-CG2 3.74Å; L106-V110 HydrophobicContact CG-CG2 4.15Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.01Å; V110-A112 PolarHBondContact O-N 2.74Å; V110-V113 WeakPolarHBondContact O-CB 3.34Å; V110-V113 PolarHBondContact O-N 3.47Å; V110-F114 HydrophobicContact CG1-CD2 3.84Å; V110-F114 HydrophobicContact CG1-CE2 3.68Å; V110-F114 WeakPolarHBondContact O-CD2 3.21Å; V110-F114 PolarHBondContact O-N 3.41Å; V110-I167 HydrophobicContact CB-CD1 4.27Å; V110-I167 HydrophobicContact CB-CG2 4.38Å; V110-I167 HydrophobicContact CG1-CD1 3.82Å; V110-I167 HydrophobicContact CG1-CG1 4.29Å; V110-I167 HydrophobicContact CG1-CG2 4.41Å
111	K	90.9	Very high	82.2	Confident	39 Å²	39	26.7 Å²	26.7	17%	0.17	16%	0.163	C	C	.	.	H	α-helix	trans	-58.4	-46	174.3	172.8	172.9	174.7	-72.7	0	111.8	A107 G108 Q109 V113 F114 E115 V125 L127 I167	A107-K111 VanDerWaalsContact O-CB 3.3Å; A107-K111 WeakPolarHBondContact O-CB 3.22Å; A107-K111 PolarHBondContact O-N 3.38Å; G108-K111 WeakPolarHBondContact O-CB 3.41Å; G108-K111 PolarHBondContact O-N 2.85Å; Q109-K111 VanDerWaalsContact C-N 3.25Å; Q109-K111 PolarHBondContact O-N 2.83Å; K111-V113 VanDerWaalsContact C-N 3.28Å; K111-V113 PolarHBondContact O-N 3.21Å; K111-F114 PolarHBondContact O-N 2.89Å; K111-E115 VanDerWaalsContact CE-OE1 3.23Å; K111-E115 WeakPolarHBondContact CE-OE1 3.49Å; K111-E115 HydrophobicContact CG-CG 4.17Å; K111-E115 IonicContact NZ-OE1 3.74Å; K111-E115 PolarHBondContact NZ-OE1 2.75Å; K111-E115 IonicContact NZ-OE2 3.99Å; K111-E115 PolarHBondContact NZ-OE2 3.21Å; K111-E115 WeakPolarHBondContact O-CB 3.2Å; K111-E115 WeakPolarHBondContact O-CG 3.06Å; K111-E115 PolarHBondContact O-N 2.88Å; K111-V125 HydrophobicContact CB-CG1 4.3Å; K111-V125 HydrophobicContact CG-CG1 3.92Å; K111-L127 HydrophobicContact CD-CB 4.17Å; K111-I167 HydrophobicContact CB-CD1 3.74Å
112	A	85.7	Confident	81.2	Confident	55 Å²	55	28.8 Å²	28.8	46%	0.455	18%	0.177	S	C	.	.	H	α-helix	trans	-60	-38.8	177.9	0	0	0	0	0	112	G108 Q109 V110 E115 A116	G108-A112 PolarHBondContact O-N 3.18Å; Q109-A112 WeakPolarHBondContact O-CB 3.49Å; Q109-A112 PolarHBondContact O-N 2.81Å; Q109-A112 VanDerWaalsContact O-N 3.12Å; V110-A112 PolarHBondContact O-N 2.74Å; A112-E115 PolarHBondContact O-N 3.37Å; A112-A116 PolarHBondContact O-N 3.17Å; A112-A116 VanDerWaalsContact O-N 3.16Å
113	V	85.9	Confident	80.8	Confident	46 Å²	46	29 Å²	29	28%	0.279	18%	0.177	S	C	.	.	H	α-helix	trans	-62.3	-48.8	174.7	177	0	0	0	0	111.1	T72 A76 Q109 V110 K111 E115 A116 F117	T72-V113 HydrophobicContact CG2-CB 4Å; T72-V113 HydrophobicContact CG2-CG1 4.03Å; T72-V113 HydrophobicContact CG2-CG2 3.91Å; A76-V113 HydrophobicContact CB-CG1 4.25Å; Q109-V113 PolarHBondContact O-N 3.01Å; V110-V113 WeakPolarHBondContact O-CB 3.34Å; V110-V113 PolarHBondContact O-N 3.47Å; K111-V113 VanDerWaalsContact C-N 3.28Å; K111-V113 PolarHBondContact O-N 3.21Å; V113-E115 VanDerWaalsContact C-N 3.34Å; V113-E115 PolarHBondContact O-N 2.6Å; V113-A116 WeakPolarHBondContact O-CB 3.42Å; V113-A116 PolarHBondContact O-N 3.36Å; V113-F117 HydrophobicContact CG1-CE2 4.2Å; V113-F117 WeakPolarHBondContact O-CD2 3.34Å; V113-F117 WeakPolarHBondContact O-CE2 3.39Å
114	F	85.5	Confident	80.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-39.1	175.9	-80.1	-83.5	0	0	0	112.5	Y75 A76 V79 I80 V99 V110 K111 A116 F117 L118 V125 I165 I167	Y75-F114 HydrophobicContact CD2-CZ 4.38Å; Y75-F114 HydrophobicContact CE2-CE2 4.1Å; Y75-F114 HydrophobicContact CE2-CZ 4.35Å; A76-F114 HydrophobicContact CB-CD1 4.31Å; A76-F114 HydrophobicContact CB-CD2 4.48Å; A76-F114 HydrophobicContact CB-CE1 3.9Å; A76-F114 HydrophobicContact CB-CE2 4.11Å; A76-F114 HydrophobicContact CB-CZ 3.81Å; V79-F114 HydrophobicContact CB-CE1 4.08Å; V79-F114 HydrophobicContact CB-CZ 4.3Å; V79-F114 HydrophobicContact CG1-CE1 3.79Å; V79-F114 HydrophobicContact CG1-CZ 4.13Å; I80-F114 HydrophobicContact CD1-CD1 3.95Å; I80-F114 HydrophobicContact CD1-CE1 4.36Å; I80-F114 HydrophobicContact CG1-CD1 3.96Å; I80-F114 HydrophobicContact CG1-CE1 4.09Å; V99-F114 HydrophobicContact CG2-CE2 4.09Å; V99-F114 HydrophobicContact CG2-CZ 4.18Å; V110-F114 HydrophobicContact CG1-CD2 3.84Å; V110-F114 HydrophobicContact CG1-CE2 3.68Å; V110-F114 WeakPolarHBondContact O-CD2 3.21Å; V110-F114 PolarHBondContact O-N 3.41Å; K111-F114 PolarHBondContact O-N 2.89Å; F114-A116 VanDerWaalsContact C-N 3.26Å; F114-A116 PolarHBondContact O-N 3.36Å; F114-F117 PolarHBondContact O-N 3.24Å; F114-L118 PolarHBondContact O-N 2.8Å; F114-V125 HydrophobicContact CB-CG1 4.3Å; F114-V125 HydrophobicContact CB-CG2 3.55Å; F114-V125 HydrophobicContact CG-CG2 4.25Å; F114-I165 HydrophobicContact CD1-CD1 3.66Å; F114-I165 HydrophobicContact CD1-CG2 4.43Å; F114-I165 HydrophobicContact CE1-CD1 3.74Å; F114-I165 HydrophobicContact CE1-CG2 4.22Å; F114-I165 HydrophobicContact CZ-CG2 4.25Å; F114-I167 HydrophobicContact CD2-CD1 3.88Å; F114-I167 HydrophobicContact CE2-CD1 4.37Å
115	E	83	Confident	81	Confident	68 Å²	68	27.2 Å²	27.2	32%	0.318	17%	0.17	S	C	.	.	H	α-helix	trans	-60	-32.3	179.4	-80.6	-177.1	140.9	0	0	113.5	K111 A112 V113 F117 L118	K111-E115 VanDerWaalsContact CE-OE1 3.23Å; K111-E115 WeakPolarHBondContact CE-OE1 3.49Å; K111-E115 HydrophobicContact CG-CG 4.17Å; K111-E115 IonicContact NZ-OE1 3.74Å; K111-E115 PolarHBondContact NZ-OE1 2.75Å; K111-E115 IonicContact NZ-OE2 3.99Å; K111-E115 PolarHBondContact NZ-OE2 3.21Å; K111-E115 WeakPolarHBondContact O-CB 3.2Å; K111-E115 WeakPolarHBondContact O-CG 3.06Å; K111-E115 PolarHBondContact O-N 2.88Å; A112-E115 PolarHBondContact O-N 3.37Å; V113-E115 VanDerWaalsContact C-N 3.34Å; V113-E115 PolarHBondContact O-N 2.6Å; E115-F117 PolarHBondContact O-N 3.39Å; E115-L118 HydrophobicContact CG-CD1 3.96Å; E115-L118 PolarHBondContact O-N 2.98Å; E115-L118 VanDerWaalsContact O-N 3.14Å
116	A	76.6	Confident	81.4	Confident	64 Å²	64	26.9 Å²	26.9	53%	0.529	17%	0.168	S	C	.	.	H	α-helix	trans	-57.5	-31.5	174.3	0	0	0	0	0	112.5	A112 V113 F114	A112-A116 PolarHBondContact O-N 3.17Å; A112-A116 VanDerWaalsContact O-N 3.16Å; V113-A116 WeakPolarHBondContact O-CB 3.42Å; V113-A116 PolarHBondContact O-N 3.36Å; F114-A116 VanDerWaalsContact C-N 3.26Å; F114-A116 PolarHBondContact O-N 3.36Å
117	F	74.4	Confident	81.6	Confident	28 Å²	28	27.8 Å²	27.8	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-95.4	-8.4	-179.7	-56.2	-78.6	0	0	0	113.7	L15 F40 L73 L77 I80 V113 F114 E115 S119 V120 A121	L15-F117 HydrophobicContact CD1-CD1 4.46Å; F40-F117 HydrophobicContact CZ-CE1 4.02Å; F40-F117 HydrophobicContact CZ-CZ 4.21Å; L73-F117 HydrophobicContact CD1-CE2 4Å; L73-F117 HydrophobicContact CD1-CZ 3.71Å; L77-F117 HydrophobicContact CD2-CD1 4.43Å; L77-F117 HydrophobicContact CD2-CE1 3.86Å; L77-F117 HydrophobicContact CD2-CE2 4.29Å; L77-F117 HydrophobicContact CD2-CZ 3.8Å; I80-F117 HydrophobicContact CD1-CB 3.56Å; I80-F117 HydrophobicContact CD1-CD2 3.86Å; I80-F117 HydrophobicContact CD1-CG 3.82Å; V113-F117 HydrophobicContact CG1-CE2 4.2Å; V113-F117 WeakPolarHBondContact O-CD2 3.34Å; V113-F117 WeakPolarHBondContact O-CE2 3.39Å; F114-F117 PolarHBondContact O-N 3.24Å; E115-F117 PolarHBondContact O-N 3.39Å; F117-S119 PolarHBondContact O-N 3.11Å; F117-V120 WeakPolarHBondContact O-CG2 3.2Å; F117-V120 PolarHBondContact O-N 3Å; F117-V120 VanDerWaalsContact O-N 3.16Å; F117-A121 PolarHBondContact O-N 3.14Å; F117-A121 VanDerWaalsContact O-N 3.1Å
118	L	72.3	Confident	81.7	Confident	23 Å²	23	27.8 Å²	27.8	12%	0.12	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.7	-179.2	-67.5	-172	0	0	0	114	F114 E115 V120 L123 V125	F114-L118 PolarHBondContact O-N 2.8Å; E115-L118 HydrophobicContact CG-CD1 3.96Å; E115-L118 PolarHBondContact O-N 2.98Å; E115-L118 VanDerWaalsContact O-N 3.14Å; L118-V120 PolarHBondContact O-N 3.07Å; L118-L123 HydrophobicContact CD2-CB 3.93Å; L118-L123 WeakPolarHBondContact CD2-O 3.46Å; L118-V125 HydrophobicContact CD1-CB 4.21Å; L118-V125 HydrophobicContact CD1-CG2 3.8Å; L118-V125 HydrophobicContact CD2-CG2 3.96Å; L118-V125 HydrophobicContact CG-CG2 4.19Å
119	S	65.9	Low	81.8	Confident	60 Å²	60	26.7 Å²	26.7	42%	0.42	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.7	172.9	59.2	0	0	0	0	113.3	R18 F117	R18-S119 VanDerWaalsContact NH1-CB 3.29Å; R18-S119 PolarHBondContact NH1-OG 3.09Å; R18-S119 VanDerWaalsContact NH1-OG 3.14Å; F117-S119 PolarHBondContact O-N 3.11Å
120	V	66	Low	81.8	Confident	19 Å²	19	25.5 Å²	25.5	12%	0.115	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-15.2	-173.8	-65.7	0	0	0	0	113.5	W11 L15 F117 L118	W11-V120 HydrophobicContact CB-CG1 4.48Å; W11-V120 HydrophobicContact CD2-CB 4.38Å; W11-V120 HydrophobicContact CE3-CB 3.57Å; W11-V120 HydrophobicContact CE3-CG1 4.11Å; W11-V120 HydrophobicContact CE3-CG2 4.28Å; W11-V120 HydrophobicContact CZ3-CB 4.07Å; W11-V120 HydrophobicContact CZ3-CG2 4.3Å; L15-V120 HydrophobicContact CB-CG1 4.04Å; L15-V120 HydrophobicContact CD1-CG1 4.25Å; L15-V120 HydrophobicContact CD1-CG2 3.82Å; L15-V120 HydrophobicContact CD2-CG2 4.13Å; L15-V120 HydrophobicContact CG-CG2 4.39Å; F117-V120 WeakPolarHBondContact O-CG2 3.2Å; F117-V120 PolarHBondContact O-N 3Å; F117-V120 VanDerWaalsContact O-N 3.16Å; L118-V120 PolarHBondContact O-N 3.07Å
121	A	68.8	Low	81.3	Confident	3 Å²	3	27.1 Å²	27.1	3%	0.025	18%	0.176	C	C	.	.	S	Bend	trans	-111.8	121.4	174.9	0	0	0	0	0	109.7	I80 M84 F117 L123	I80-A121 HydrophobicContact CG2-CB 3.79Å; M84-A121 HydrophobicContact CG-CB 4.25Å; M84-A121 HydrophobicContact SD-CB 3.53Å; M84-A121 VanDerWaalsContact SD-CB 3.53Å; F117-A121 PolarHBondContact O-N 3.14Å; F117-A121 VanDerWaalsContact O-N 3.1Å; A121-L123 HydrophobicContact CB-CD1 4.01Å; A121-L123 HydrophobicContact CB-CG 4.14Å; A121-L123 PolarHBondContact O-N 2.93Å
122	P	73.1	Confident	80.7	Confident	44 Å²	44	31.9 Å²	31.9	29%	0.286	19%	0.193	S	C	.	.			trans	-75.7	57.4	177.5	33.4	-36.9	0	0	0	111.6	T159 R162	P122-T159 HydrophobicContact CB-CG2 3.82Å; P122-T159 HydrophobicContact CG-CG2 4.21Å; P122-R162 HydrophobicContact CG-CB 4.31Å; P122-R162 HydrophobicContact CG-CG 3.87Å; P122-R162 PolarHBondContact O-N 3.02Å
123	L	79.4	Confident	80.6	Confident	13 Å²	13	37 Å²	37	7%	0.068	21%	0.205	C	C	.	.			trans	-114.8	159.3	179.8	-61	174.6	0	0	0	109.3	I80 L83 M84 L118 A121 R162 I165	I80-L123 HydrophobicContact CB-CD1 4.29Å; I80-L123 HydrophobicContact CG1-CD1 4.24Å; I80-L123 HydrophobicContact CG2-CD1 4.01Å; L83-L123 HydrophobicContact CB-CD1 4.14Å; L83-L123 HydrophobicContact CB-CD2 3.8Å; L83-L123 HydrophobicContact CD1-CD1 4.37Å; L83-L123 HydrophobicContact CD1-CD2 4.24Å; M84-L123 HydrophobicContact CG-CD1 4.36Å; L118-L123 HydrophobicContact CD2-CB 3.93Å; L118-L123 WeakPolarHBondContact CD2-O 3.46Å; A121-L123 HydrophobicContact CB-CD1 4.01Å; A121-L123 HydrophobicContact CB-CG 4.14Å; A121-L123 PolarHBondContact O-N 2.93Å; L123-R162 VanDerWaalsContact CD2-C 3.49Å; L123-R162 HydrophobicContact CD2-CB 3.69Å; L123-R162 VanDerWaalsContact CD2-O 3.22Å; L123-R162 WeakPolarHBondContact CD2-O 3.26Å; L123-I165 HydrophobicContact CB-CD1 4.47Å; L123-I165 HydrophobicContact CD1-CD1 4.05Å
124	R	84.4	Confident	80.5	Confident	21 Å²	21	36.6 Å²	36.6	8%	0.079	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.6	172.1	-173.6	169.4	39.2	159	-7.8	110	K92 I126 F141 D144 F161 G163 N164 I165	K92-R124 PolarHBondContact O-NH2 3.46Å; R124-I126 HydrophobicContact CG-CD1 4.22Å; R124-I126 HydrophobicContact CG-CG1 3.87Å; R124-F141 PolarHBondContact NH1-O 3.4Å; R124-D144 PolarHBondContact NH1-O 2.76Å; R124-F161 HydrophobicContact CB-CE2 3.61Å; R124-F161 HydrophobicContact CB-CZ 3.39Å; R124-F161 HydrophobicContact CG-CZ 4.5Å; R124-G163 PolarHBondContact N-O 2.91Å; R124-N164 PolarHBondContact NE-OD1 2.85Å; R124-N164 VanDerWaalsContact NH2-CG 3.34Å; R124-N164 PolarHBondContact NH2-ND2 2.62Å; R124-N164 PolarHBondContact NH2-OD1 2.78Å; R124-I165 PolarHBondContact O-N 2.83Å
125	V	88.6	Confident	80.5	Confident	9 Å²	9	44.5 Å²	44.5	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122	175.9	-179.2	0	0	0	0	108.9	K111 F114 L118 I165 I167	K111-V125 HydrophobicContact CB-CG1 4.3Å; K111-V125 HydrophobicContact CG-CG1 3.92Å; F114-V125 HydrophobicContact CB-CG1 4.3Å; F114-V125 HydrophobicContact CB-CG2 3.55Å; F114-V125 HydrophobicContact CG-CG2 4.25Å; L118-V125 HydrophobicContact CD1-CB 4.21Å; L118-V125 HydrophobicContact CD1-CG2 3.8Å; L118-V125 HydrophobicContact CD2-CG2 3.96Å; L118-V125 HydrophobicContact CG-CG2 4.19Å; V125-I165 CarbonylContact C-O 3.54Å; V125-I165 WeakPolarHBondContact CA-O 3.37Å; V125-I165 HydrophobicContact CG2-CB 4.2Å; V125-I165 HydrophobicContact CG2-CD1 4.33Å; V125-I167 HydrophobicContact CG1-CD1 3.48Å; V125-I167 VanDerWaalsContact CG1-CD1 3.48Å; V125-I167 HydrophobicContact CG1-CG1 4.18Å
126	I	89.9	Confident	80.4	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.2	-174.9	-52.8	177.6	0	0	0	108.8	R124 F128 F141 N164 I165 V166 I167	R124-I126 HydrophobicContact CG-CD1 4.22Å; R124-I126 HydrophobicContact CG-CG1 3.87Å; I126-F128 HydrophobicContact CG2-CD1 4.1Å; I126-F128 HydrophobicContact CG2-CE1 3.54Å; I126-F128 HydrophobicContact CG2-CZ 3.82Å; I126-F141 HydrophobicContact CD1-CD2 3.29Å; I126-F141 HydrophobicContact CD1-CE2 3.64Å; I126-F141 HydrophobicContact CD1-CG 4.27Å; I126-F141 HydrophobicContact CG2-CD2 4.32Å; I126-N164 HydrophobicContact CD1-CB 4.36Å; I126-I165 PolarHBondContact N-O 2.82Å; I126-V166 HydrophobicContact CB-CG2 4.45Å; I126-V166 WeakPolarHBondContact O-CA 3.44Å; I126-I167 PolarHBondContact O-N 3.42Å
127	L	91.5	Very high	80.7	Confident	23 Å²	23	45.5 Å²	45.5	12%	0.12	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.8	-175.8	-169.7	72.8	0	0	0	111	A107 K111 V129 I167	A107-L127 HydrophobicContact CB-CD1 3.48Å; A107-L127 VanDerWaalsContact CB-CD1 3.48Å; K111-L127 HydrophobicContact CD-CB 4.17Å; L127-V129 HydrophobicContact CD1-CG1 3.92Å; L127-V129 HydrophobicContact CD2-CG1 4.22Å; L127-V129 HydrophobicContact CD2-CG2 3.91Å; L127-V129 HydrophobicContact CG-CG1 3.83Å; L127-V129 HydrophobicContact CG-CG2 4.09Å; L127-I167 CarbonylContact C-O 3.6Å; L127-I167 WeakPolarHBondContact CA-O 3.35Å; L127-I167 HydrophobicContact CD1-CB 4.14Å; L127-I167 HydrophobicContact CD1-CG2 4.13Å
128	F	92.2	Very high	81	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	92.6	174.9	-65.6	-27.8	0	0	0	111.1	I126 D137 F141 V166 I167 A168 T169 R172 L173 L176 L186	I126-F128 HydrophobicContact CG2-CD1 4.1Å; I126-F128 HydrophobicContact CG2-CE1 3.54Å; I126-F128 HydrophobicContact CG2-CZ 3.82Å; F128-D137 HydrophobicContact CD1-CB 3.92Å; F128-D137 HydrophobicContact CE1-CB 4.04Å; F128-F141 HydrophobicContact CZ-CB 4.3Å; F128-F141 AromaticContact CZ-CD2 3.75Å; F128-F141 HydrophobicContact CZ-CD2 3.75Å; F128-F141 HydrophobicContact CZ-CE2 4.49Å; F128-F141 HydrophobicContact CZ-CG 4.29Å; F128-V166 HydrophobicContact CD2-CG1 3.45Å; F128-V166 VanDerWaalsContact CD2-CG1 3.45Å; F128-V166 HydrophobicContact CD2-CG2 4.48Å; F128-V166 HydrophobicContact CE2-CG1 3.87Å; F128-V166 HydrophobicContact CE2-CG2 4.06Å; F128-V166 HydrophobicContact CG-CG1 4.28Å; F128-I167 PolarHBondContact N-O 2.56Å; F128-A168 HydrophobicContact CB-CB 3.86Å; F128-A168 WeakPolarHBondContact O-CA 3.47Å; F128-A168 WeakPolarHBondContact O-CB 3.49Å; F128-T169 PolarHBondContact O-N 2.66Å; F128-R172 HydrophobicContact CB-CG 4.02Å; F128-L173 HydrophobicContact CD2-CD1 4.11Å; F128-L176 HydrophobicContact CB-CD1 3.98Å; F128-L176 HydrophobicContact CD1-CD1 3.87Å; F128-L176 HydrophobicContact CD2-CD1 3.71Å; F128-L176 HydrophobicContact CE1-CD1 4.25Å; F128-L176 HydrophobicContact CE2-CD1 4.11Å; F128-L176 HydrophobicContact CG-CD1 3.59Å; F128-L176 HydrophobicContact CZ-CD1 4.36Å; F128-L186 HydrophobicContact CD2-CD2 4.43Å; F128-L186 HydrophobicContact CE2-CD1 4.04Å; F128-L186 HydrophobicContact CE2-CD2 4.06Å
129	V	89.8	Confident	81.4	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.018	23%	0.227	C	C	.	.			trans	-124.9	149.3	-176.8	-67.2	0	0	0	0	112	R104 A107 L127 T169 R172	R104-V129 HydrophobicContact CB-CB 4.01Å; R104-V129 HydrophobicContact CB-CG1 4.12Å; R104-V129 HydrophobicContact CB-CG2 4.42Å; R104-V129 HydrophobicContact CG-CB 3.89Å; R104-V129 HydrophobicContact CG-CG1 4.36Å; A107-V129 HydrophobicContact CB-CG1 3.56Å; L127-V129 HydrophobicContact CD1-CG1 3.92Å; L127-V129 HydrophobicContact CD2-CG1 4.22Å; L127-V129 HydrophobicContact CD2-CG2 3.91Å; L127-V129 HydrophobicContact CG-CG1 3.83Å; L127-V129 HydrophobicContact CG-CG2 4.09Å; V129-T169 HydrophobicContact CG1-CG2 4.15Å; V129-R172 PolarHBondContact O-NH1 3.2Å
130	G	84.3	Confident	82	Confident	14 Å²	14	47 Å²	47	14%	0.144	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	170.7	178	0	0	0	0	0	114.9	R104 R132	R104-G130 WeakPolarHBondContact CD-O 3.4Å; R104-G130 PolarHBondContact NE-O 3.06Å; R104-G130 PolarHBondContact NH1-O 3.1Å; R104-G130 VanDerWaalsContact NH1-O 3.16Å; G130-R132 PolarHBondContact O-N 3.39Å
131	G	78.7	Confident	82.6	Confident	34 Å²	34	46 Å²	46	35%	0.351	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	7.1	170.7	0	0	0	0	0	116.1	R104	R104-G131 VanDerWaalsContact NH2-N 3.13Å
132	R	79	Confident	82.8	Confident	139 Å²	139	49.3 Å²	49.3	53%	0.525	23%	0.234	S	C	.	.	S	Bend	trans	-108.1	155.1	162.6	-61.9	179.1	-178.2	-178.9	0.8	109.2	G130 V134 R172	G130-R132 PolarHBondContact O-N 3.39Å; R132-V134 PolarHBondContact O-N 3.3Å; R132-R172 PolarHBondContact O-NH1 3.01Å; R132-R172 PolarHBondContact O-NH2 3.39Å
133	K	83.5	Confident	82.4	Confident	164 Å²	164	50.7 Å²	50.7	71%	0.713	24%	0.238	S	C	*	.			trans	-63.3	128	173.9	-69.9	-176.6	175.9	-176.3	0	109	R135 K136	K133-R135 PolarHBondContact O-N 3.34Å; K133-K136 HydrophobicContact CB-CG 4.32Å; K133-K136 WeakPolarHBondContact O-CB 3.32Å; K133-K136 PolarHBondContact O-N 3.23Å
134	V	84.3	Confident	81.3	Confident	36 Å²	36	52.9 Å²	52.9	22%	0.218	25%	0.25	C	C	.	.	H	α-helix	trans	-52.9	-43.2	-178.1	175.1	0	0	0	0	111.6	R132 K136 D137 V138 L175 L176 E181	R132-V134 PolarHBondContact O-N 3.3Å; V134-K136 PolarHBondContact O-N 3.05Å; V134-K136 VanDerWaalsContact O-N 3.15Å; V134-D137 WeakPolarHBondContact O-CB 3.4Å; V134-D137 PolarHBondContact O-N 3.39Å; V134-V138 HydrophobicContact CG1-CG2 4.34Å; V134-V138 PolarHBondContact O-N 3.16Å; V134-V138 VanDerWaalsContact O-N 3.16Å; V134-L175 HydrophobicContact CG2-CD2 3.84Å; V134-L176 HydrophobicContact CG1-CD2 3.6Å; V134-E181 HydrophobicContact CG1-CG 4.33Å
135	R	84.3	Confident	79.8	Confident	167 Å²	167	52.6 Å²	52.6	63%	0.63	25%	0.253	S	S	*	.	H	α-helix	trans	-52.4	-37.2	175.6	-69.7	-178.3	-175.8	147	1.5	114.1	K133 D137 V138 V139 E181	K133-R135 PolarHBondContact O-N 3.34Å; R135-D137 VanDerWaalsContact C-N 3.31Å; R135-D137 PolarHBondContact O-N 3.4Å; R135-V138 PolarHBondContact O-N 3.35Å; R135-V139 VanDerWaalsContact O-CB 3.29Å; R135-V139 WeakPolarHBondContact O-CB 3.5Å; R135-V139 WeakPolarHBondContact O-CG2 3.33Å; R135-V139 PolarHBondContact O-N 3.03Å; R135-E181 HydrophobicContact CG-CG 4.29Å; R135-E181 WeakPolarHBondContact CG-OE1 3.36Å; R135-E181 IonicContact CZ-OE1 3.3Å; R135-E181 IonicContact NE-OE1 3.9Å; R135-E181 PolarHBondContact NE-OE1 2.79Å; R135-E181 IonicContact NH2-OE1 2.81Å
136	K	82.3	Confident	77.6	Confident	143 Å²	143	59.8 Å²	59.8	62%	0.622	29%	0.286	S	S	*	.	H	α-helix	trans	-66	-35.8	178.1	-69.7	-168.5	173	-166	0	111.8	K133 V134 K140	K133-K136 HydrophobicContact CB-CG 4.32Å; K133-K136 WeakPolarHBondContact O-CB 3.32Å; K133-K136 PolarHBondContact O-N 3.23Å; V134-K136 PolarHBondContact O-N 3.05Å; V134-K136 VanDerWaalsContact O-N 3.15Å; K136-K140 WeakPolarHBondContact O-CB 3.42Å; K136-K140 PolarHBondContact O-N 3.18Å
137	D	82.4	Confident	75.3	Confident	9 Å²	9	66.5 Å²	66.5	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-70	-42.5	178.9	-61.1	-19.2	0	0	0	110.6	F128 V134 R135 K140 F141 R172	F128-D137 HydrophobicContact CD1-CB 3.92Å; F128-D137 HydrophobicContact CE1-CB 4.04Å; V134-D137 WeakPolarHBondContact O-CB 3.4Å; V134-D137 PolarHBondContact O-N 3.39Å; R135-D137 VanDerWaalsContact C-N 3.31Å; R135-D137 PolarHBondContact O-N 3.4Å; D137-K140 PolarHBondContact O-N 3.2Å; D137-F141 WeakPolarHBondContact O-CB 3.32Å; D137-F141 PolarHBondContact O-N 3.48Å; D137-R172 IonicContact OD2-CZ 3.66Å; D137-R172 IonicContact OD2-NH1 2.62Å; D137-R172 PolarHBondContact OD2-NH1 2.62Å
138	V	81.2	Confident	73	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-66.5	-47.6	178.2	176.5	0	0	0	0	111.6	V134 R135 K140 F141 K142 L176 E181 M182 L184	V134-V138 HydrophobicContact CG1-CG2 4.34Å; V134-V138 PolarHBondContact O-N 3.16Å; V134-V138 VanDerWaalsContact O-N 3.16Å; R135-V138 PolarHBondContact O-N 3.35Å; V138-K140 VanDerWaalsContact C-N 3.31Å; V138-K140 PolarHBondContact O-N 2.83Å; V138-F141 WeakPolarHBondContact O-CB 3.23Å; V138-F141 PolarHBondContact O-N 2.76Å; V138-K142 PolarHBondContact O-N 3.36Å; V138-L176 HydrophobicContact CG2-CD2 4Å; V138-E181 HydrophobicContact CG2-CB 4.01Å; V138-E181 HydrophobicContact CG2-CG 4.08Å; V138-M182 HydrophobicContact CG1-CB 4.05Å; V138-M182 HydrophobicContact CG1-CG 4.39Å; V138-M182 HydrophobicContact CG1-SD 4.1Å; V138-L184 HydrophobicContact CB-CD2 4.47Å; V138-L184 HydrophobicContact CG1-CB 4.04Å; V138-L184 HydrophobicContact CG1-CD2 3.96Å; V138-L184 HydrophobicContact CG2-CD2 4.36Å
139	V	80.4	Confident	70.7	Confident	52 Å²	52	77 Å²	77	32%	0.315	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-45	175.9	169.6	0	0	0	0	110	R135 F141 K142 I143 M182	R135-V139 VanDerWaalsContact O-CB 3.29Å; R135-V139 WeakPolarHBondContact O-CB 3.5Å; R135-V139 WeakPolarHBondContact O-CG2 3.33Å; R135-V139 PolarHBondContact O-N 3.03Å; V139-F141 PolarHBondContact O-N 3.01Å; V139-K142 PolarHBondContact O-N 2.74Å; V139-I143 HydrophobicContact CG1-CD1 3.28Å; V139-I143 HydrophobicContact CG1-CG1 3.85Å; V139-I143 WeakPolarHBondContact O-CB 2.96Å; V139-I143 WeakPolarHBondContact O-CG1 3.09Å; V139-I143 PolarHBondContact O-N 3.34Å; V139-M182 HydrophobicContact CG2-CE 4.02Å; V139-M182 HydrophobicContact CG2-SD 3.75Å
140	K	77	Confident	68.3	Low	89 Å²	89	83 Å²	83	39%	0.387	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-42.2	176.7	-174	171.8	-178.3	173.1	0	112.5	K136 D137 V138 K142 D144	K136-K140 WeakPolarHBondContact O-CB 3.42Å; K136-K140 PolarHBondContact O-N 3.18Å; D137-K140 PolarHBondContact O-N 3.2Å; V138-K140 VanDerWaalsContact C-N 3.31Å; V138-K140 PolarHBondContact O-N 2.83Å; K140-K142 VanDerWaalsContact C-N 3.29Å; K140-K142 PolarHBondContact O-N 3.1Å; K140-D144 WeakPolarHBondContact CE-OD2 3.4Å; K140-D144 WeakPolarHBondContact CG-OD2 3.43Å; K140-D144 WeakPolarHBondContact O-CB 3.36Å; K140-D144 VanDerWaalsContact O-CG 3.26Å; K140-D144 PolarHBondContact O-N 3.4Å
141	F	80.1	Confident	66.3	Low	0 Å²	0	86 Å²	86	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-58.5	-41.6	175.6	-176.8	-91.6	0	0	0	112.1	D93 I95 R124 I126 F128 D137 V138 V139 L184	D93-F141 HydrophobicContact CB-CE1 4Å; D93-F141 HydrophobicContact CB-CZ 4.31Å; D93-F141 WeakPolarHBondContact O-CZ 3.3Å; I95-F141 HydrophobicContact CD1-CE2 4.25Å; I95-F141 HydrophobicContact CD1-CZ 4.45Å; I95-F141 HydrophobicContact CG1-CE2 4.24Å; I95-F141 HydrophobicContact CG1-CZ 4.4Å; R124-F141 PolarHBondContact NH1-O 3.4Å; I126-F141 HydrophobicContact CD1-CD2 3.29Å; I126-F141 HydrophobicContact CD1-CE2 3.64Å; I126-F141 HydrophobicContact CD1-CG 4.27Å; I126-F141 HydrophobicContact CG2-CD2 4.32Å; F128-F141 HydrophobicContact CZ-CB 4.3Å; F128-F141 AromaticContact CZ-CD2 3.75Å; F128-F141 HydrophobicContact CZ-CD2 3.75Å; F128-F141 HydrophobicContact CZ-CE2 4.49Å; F128-F141 HydrophobicContact CZ-CG 4.29Å; D137-F141 WeakPolarHBondContact O-CB 3.32Å; D137-F141 PolarHBondContact O-N 3.48Å; V138-F141 WeakPolarHBondContact O-CB 3.23Å; V138-F141 PolarHBondContact O-N 2.76Å; V139-F141 PolarHBondContact O-N 3.01Å; F141-L184 HydrophobicContact CB-CD2 4.44Å; F141-L184 HydrophobicContact CD1-CD1 3.75Å; F141-L184 HydrophobicContact CD1-CD2 3.7Å; F141-L184 HydrophobicContact CD1-CG 4.41Å; F141-L184 HydrophobicContact CE1-CD1 3.59Å; F141-L184 HydrophobicContact CE1-CD2 4.23Å; F141-L184 HydrophobicContact CG-CD2 4.19Å
142	K	73.2	Confident	64.4	Low	71 Å²	71	88.4 Å²	88.4	31%	0.309	46%	0.456	S	S	.	.	H	α-helix	trans	-75.1	-49.8	177.4	-68.8	-169	177.3	-163.1	0	113.3	V138 V139 K140 G145 Q146 M182	V138-K142 PolarHBondContact O-N 3.36Å; V139-K142 PolarHBondContact O-N 2.74Å; K140-K142 VanDerWaalsContact C-N 3.29Å; K140-K142 PolarHBondContact O-N 3.1Å; K142-G145 WeakPolarHBondContact O-CA 3.33Å; K142-G145 PolarHBondContact O-N 3.31Å; K142-G145 VanDerWaalsContact O-N 3.11Å; K142-Q146 PolarHBondContact O-N 3.01Å; K142-M182 WeakPolarHBondContact CE-O 3.41Å; K142-M182 PolarHBondContact NZ-O 3.11Å
143	I	63.1	Low	62.4	Low	74 Å²	74	86.5 Å²	86.5	38%	0.379	46%	0.456	S	S	.	.	H	α-helix	trans	-68.2	-45.7	-176	-67.6	-176.4	0	0	0	111.6	V139 G145 Q146 E147	V139-I143 HydrophobicContact CG1-CD1 3.28Å; V139-I143 HydrophobicContact CG1-CG1 3.85Å; V139-I143 WeakPolarHBondContact O-CB 2.96Å; V139-I143 WeakPolarHBondContact O-CG1 3.09Å; V139-I143 PolarHBondContact O-N 3.34Å; I143-G145 PolarHBondContact O-N 2.77Å; I143-Q146 WeakPolarHBondContact O-CA 3.42Å; I143-Q146 PolarHBondContact O-N 2.97Å; I143-E147 PolarHBondContact O-N 3.05Å
144	D	57.9	Low	60.2	Low	58 Å²	58	86.7 Å²	86.7	31%	0.31	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9	175.6	-66.3	0.4	0	0	0	111	R124 K140	R124-D144 PolarHBondContact NH1-O 2.76Å; K140-D144 WeakPolarHBondContact CE-OD2 3.4Å; K140-D144 WeakPolarHBondContact CG-OD2 3.43Å; K140-D144 WeakPolarHBondContact O-CB 3.36Å; K140-D144 VanDerWaalsContact O-CG 3.26Å; K140-D144 PolarHBondContact O-N 3.4Å
145	G	51.8	Low	57.9	Low	15 Å²	15	92.7 Å²	92.7	16%	0.155	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-14.8	172.1	0	0	0	0	0	113.5	K142 I143	K142-G145 WeakPolarHBondContact O-CA 3.33Å; K142-G145 PolarHBondContact O-N 3.31Å; K142-G145 VanDerWaalsContact O-N 3.11Å; I143-G145 PolarHBondContact O-N 2.77Å
146	Q	41.8	Very low	55.8	Low	160 Å²	160	88.3 Å²	88.3	75%	0.748	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-38.3	175.7	-63.9	-163.3	-3	0	0	111.9	K142 I143 G148	K142-Q146 PolarHBondContact O-N 3.01Å; I143-Q146 WeakPolarHBondContact O-CA 3.42Å; I143-Q146 PolarHBondContact O-N 2.97Å; Q146-G148 PolarHBondContact O-N 2.93Å
147	E	42.3	Very low	53.7	Low	143 Å²	143	86.6 Å²	86.6	67%	0.668	49%	0.488	S	S	*	.	S	Bend	trans	-84.8	87.1	173.5	-69.5	-177.5	-179.6	0	0	110.2	I143 R149	I143-E147 PolarHBondContact O-N 3.05Å; E147-R149 PolarHBondContact O-N 2.84Å
148	G	43.2	Very low	51.7	Low	66 Å²	66	95 Å²	95	68%	0.68	53%	0.525	S	S	*	.			trans	-54.9	122.4	161	0	0	0	0	0	108.2	Q146	Q146-G148 PolarHBondContact O-N 2.93Å
149	R	44.8	Very low	50	Low	178 Å²	178	97.8 Å²	97.8	67%	0.672	54%	0.542	S	S	*	.			trans	-50	129.9	171.6	-88.9	-173.5	178.9	-177.7	0.1	107.5	E147 V151	E147-R149 PolarHBondContact O-N 2.84Å; R149-V151 VanDerWaalsContact C-N 3.29Å; R149-V151 PolarHBondContact O-N 2.81Å
150	P	38.4	Very low	48.6	Very low	130 Å²	130	101.5 Å²	101.5	84%	0.844	55%	0.554	S	S	*	*			trans	-64.2	99.6	169.2	22.4	-24.5	0	0	0	106.6	G152	P150-G152 PolarHBondContact O-N 2.84Å
151	V	42.8	Very low	47.7	Very low	78 Å²	78	100 Å²	100	47%	0.473	55%	0.547	S	S	.	.			trans	-67.6	122.3	163.9	-177.1	0	0	0	0	104.2	R149 D153 L156	R149-V151 VanDerWaalsContact C-N 3.29Å; R149-V151 PolarHBondContact O-N 2.81Å; V151-D153 CarbonylContact O-C 3.37Å; V151-D153 PolarHBondContact O-N 3.05Å; V151-L156 HydrophobicContact CB-CB 4.16Å; V151-L156 HydrophobicContact CG1-CB 3.92Å; V151-L156 HydrophobicContact CG1-CD1 3.86Å
152	G	39.3	Very low	46.7	Very low	84 Å²	84	105.1 Å²	105.1	87%	0.866	57%	0.567	S	S	*	*	S	Bend	trans	-60.3	4.5	-176	0	0	0	0	0	115.6	P150	P150-G152 PolarHBondContact O-N 2.84Å
153	D	35.8	Very low	46.6	Very low	98 Å²	98	101.7 Å²	101.7	52%	0.524	55%	0.552	S	S	.	*	S	Bend	trans	-109.4	111.5	164.8	-82.4	-31.9	0	0	0	109.2	V151 L155 L156	V151-D153 CarbonylContact O-C 3.37Å; V151-D153 PolarHBondContact O-N 3.05Å; D153-L155 PolarHBondContact O-N 3.21Å; D153-L156 HydrophobicContact CB-CD1 4.49Å; D153-L156 PolarHBondContact O-N 2.81Å
154	L	37	Very low	47.7	Very low	169 Å²	169	98.2 Å²	98.2	89%	0.885	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-52.3	-16.3	177.8	-149.2	75.8	0	0	0	113.3
155	L	37.3	Very low	49.3	Very low	161 Å²	161	95.4 Å²	95.4	84%	0.843	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-83.5	-19	179.3	-133.4	73.7	0	0	0	114.4	D153	D153-L155 PolarHBondContact O-N 3.21Å
156	L	40.3	Very low	51.3	Low	76 Å²	76	94.7 Å²	94.7	40%	0.398	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-93.8	5.7	176.1	-81.9	155.4	0	0	0	112.5	V151 D153 F158 T159	V151-L156 HydrophobicContact CB-CB 4.16Å; V151-L156 HydrophobicContact CG1-CB 3.92Å; V151-L156 HydrophobicContact CG1-CD1 3.86Å; D153-L156 HydrophobicContact CB-CD1 4.49Å; D153-L156 PolarHBondContact O-N 2.81Å; L156-F158 PolarHBondContact O-N 2.81Å; L156-F158 VanDerWaalsContact O-N 3.14Å; L156-T159 VanDerWaalsContact C-OG1 3.26Å; L156-T159 WeakPolarHBondContact CA-OG1 3.26Å; L156-T159 VanDerWaalsContact CB-OG1 3.3Å; L156-T159 WeakPolarHBondContact CB-OG1 3.44Å; L156-T159 HydrophobicContact CD2-CG2 4.07Å; L156-T159 WeakPolarHBondContact CD2-OG1 3.41Å; L156-T159 VanDerWaalsContact O-CB 3.23Å; L156-T159 WeakPolarHBondContact O-CB 3.33Å; L156-T159 PolarHBondContact O-N 2.95Å; L156-T159 PolarHBondContact O-OG1 3.47Å
157	S	37.8	Very low	53.9	Low	106 Å²	106	87.1 Å²	87.1	74%	0.741	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.6	171.1	-176.3	0	0	0	0	112.7	T159	S157-T159 VanDerWaalsContact C-N 3.33Å; S157-T159 PolarHBondContact O-N 2.79Å
158	F	39.3	Very low	56.4	Low	187 Å²	187	80.3 Å²	80.3	82%	0.82	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	9.1	172.1	-72.2	-81.2	0	0	0	114.7	L156 F160	L156-F158 PolarHBondContact O-N 2.81Å; L156-F158 VanDerWaalsContact O-N 3.14Å; F158-F160 PolarHBondContact O-N 3.11Å; F158-F160 VanDerWaalsContact O-N 3.1Å
159	T	46.6	Very low	58.8	Low	58 Å²	58	77.7 Å²	77.7	36%	0.356	42%	0.415	S	S	.	.			trans	-73.1	110	-170.8	-48.9	0	0	0	0	111.7	P122 L156 S157 F161	P122-T159 HydrophobicContact CB-CG2 3.82Å; P122-T159 HydrophobicContact CG-CG2 4.21Å; L156-T159 VanDerWaalsContact C-OG1 3.26Å; L156-T159 WeakPolarHBondContact CA-OG1 3.26Å; L156-T159 VanDerWaalsContact CB-OG1 3.3Å; L156-T159 WeakPolarHBondContact CB-OG1 3.44Å; L156-T159 HydrophobicContact CD2-CG2 4.07Å; L156-T159 WeakPolarHBondContact CD2-OG1 3.41Å; L156-T159 VanDerWaalsContact O-CB 3.23Å; L156-T159 WeakPolarHBondContact O-CB 3.33Å; L156-T159 PolarHBondContact O-N 2.95Å; L156-T159 PolarHBondContact O-OG1 3.47Å; S157-T159 VanDerWaalsContact C-N 3.33Å; S157-T159 PolarHBondContact O-N 2.79Å; T159-F161 PolarHBondContact O-N 3.29Å; T159-F161 VanDerWaalsContact O-N 3.15Å
160	F	51.2	Low	61.1	Low	130 Å²	130	69.2 Å²	69.2	57%	0.57	38%	0.383	S	S	*	.			trans	-44.5	120.1	169.3	-76	-88.1	0	0	0	111.1	K89 F158 R162	K89-F160 HydrophobicContact CD-CD1 4.32Å; K89-F160 HydrophobicContact CD-CE1 3.81Å; K89-F160 HydrophobicContact CG-CD1 4.42Å; K89-F160 HydrophobicContact CG-CE1 4.4Å; F158-F160 PolarHBondContact O-N 3.11Å; F158-F160 VanDerWaalsContact O-N 3.1Å; F160-R162 PolarHBondContact O-N 3.19Å
161	F	56.9	Low	63.6	Low	58 Å²	58	64.7 Å²	64.7	25%	0.254	36%	0.36	S	S	.	.			trans	-59	122.4	169.3	-168.2	-100.9	0	0	0	109.2	R124 T159 G163 N164	R124-F161 HydrophobicContact CB-CE2 3.61Å; R124-F161 HydrophobicContact CB-CZ 3.39Å; R124-F161 HydrophobicContact CG-CZ 4.5Å; T159-F161 PolarHBondContact O-N 3.29Å; T159-F161 VanDerWaalsContact O-N 3.15Å; F161-G163 WeakPolarHBondContact CE1-O 3.48Å; F161-G163 VanDerWaalsContact CZ-O 3.32Å; F161-G163 WeakPolarHBondContact CZ-O 3.26Å; F161-N164 WeakPolarHBondContact CE1-OD1 3.38Å; F161-N164 WeakPolarHBondContact CZ-OD1 3.41Å
162	R	59.4	Low	65.9	Low	107 Å²	107	62.1 Å²	62.1	40%	0.404	34%	0.342	S	S	.	.			trans	-98	17.6	-174.7	-66.6	-164.8	-176.8	-158.7	1.4	114.4	M84 W90 P122 L123 F160	M84-R162 PolarHBondContact O-NH1 2.88Å; W90-R162 VanDerWaalsContact CG-C 3.44Å; W90-R162 PolarHBondContact NE1-O 3.31Å; P122-R162 HydrophobicContact CG-CB 4.31Å; P122-R162 HydrophobicContact CG-CG 3.87Å; P122-R162 PolarHBondContact O-N 3.02Å; L123-R162 VanDerWaalsContact CD2-C 3.49Å; L123-R162 HydrophobicContact CD2-CB 3.69Å; L123-R162 VanDerWaalsContact CD2-O 3.22Å; L123-R162 WeakPolarHBondContact CD2-O 3.26Å; F160-R162 PolarHBondContact O-N 3.19Å
163	G	71.2	Confident	68.5	Low	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.			trans	112.1	163.8	171.2	0	0	0	0	0	114.5	R124 F161	R124-G163 PolarHBondContact N-O 2.91Å; F161-G163 WeakPolarHBondContact CE1-O 3.48Å; F161-G163 VanDerWaalsContact CZ-O 3.32Å; F161-G163 WeakPolarHBondContact CZ-O 3.26Å
164	N	86.2	Confident	71.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.6	-179.5	-59	-55.8	0	0	0	112	K92 E94 I95 G96 A97 R124 I126 F161	K92-N164 PolarHBondContact O-ND2 3.41Å; E94-N164 WeakPolarHBondContact O-CB 3.3Å; E94-N164 PolarHBondContact O-N 3.32Å; E94-N164 VanDerWaalsContact O-N 3.09Å; E94-N164 PolarHBondContact O-ND2 3.37Å; I95-N164 HydrophobicContact CG1-CB 4.16Å; G96-N164 PolarHBondContact N-O 2.91Å; A97-N164 PolarHBondContact N-O 3.21Å; R124-N164 PolarHBondContact NE-OD1 2.85Å; R124-N164 VanDerWaalsContact NH2-CG 3.34Å; R124-N164 PolarHBondContact NH2-ND2 2.62Å; R124-N164 PolarHBondContact NH2-OD1 2.78Å; I126-N164 HydrophobicContact CD1-CB 4.36Å; F161-N164 WeakPolarHBondContact CE1-OD1 3.38Å; F161-N164 WeakPolarHBondContact CZ-OD1 3.41Å
165	I	92.3	Very high	73.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.5	167	-57.1	175	0	0	0	107.3	V79 I80 L83 A97 F114 L123 R124 V125 I126	V79-I165 HydrophobicContact CG1-CD1 4.08Å; V79-I165 HydrophobicContact CG1-CG1 4.43Å; I80-I165 HydrophobicContact CG1-CD1 4.49Å; L83-I165 HydrophobicContact CD1-CD1 4.04Å; L83-I165 HydrophobicContact CD1-CG1 3.55Å; A97-I165 HydrophobicContact CB-CG1 4.34Å; A97-I165 HydrophobicContact CB-CG2 4.36Å; A97-I165 WeakPolarHBondContact O-CA 3.22Å; F114-I165 HydrophobicContact CD1-CD1 3.66Å; F114-I165 HydrophobicContact CD1-CG2 4.43Å; F114-I165 HydrophobicContact CE1-CD1 3.74Å; F114-I165 HydrophobicContact CE1-CG2 4.22Å; F114-I165 HydrophobicContact CZ-CG2 4.25Å; L123-I165 HydrophobicContact CB-CD1 4.47Å; L123-I165 HydrophobicContact CD1-CD1 4.05Å; R124-I165 PolarHBondContact O-N 2.83Å; V125-I165 CarbonylContact C-O 3.54Å; V125-I165 WeakPolarHBondContact CA-O 3.37Å; V125-I165 HydrophobicContact CG2-CB 4.2Å; V125-I165 HydrophobicContact CG2-CD1 4.33Å; I126-I165 PolarHBondContact N-O 2.82Å
166	V	94	Very high	76.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124	176.5	169.9	0	0	0	0	109.4	I95 A97 V98 V99 I126 F128 A168 L173	I95-V166 HydrophobicContact CD1-CG2 3.79Å; I95-V166 HydrophobicContact CG1-CG2 3.9Å; I95-V166 HydrophobicContact CG2-CB 4.19Å; I95-V166 HydrophobicContact CG2-CG2 3.82Å; A97-V166 PolarHBondContact O-N 3.27Å; V98-V166 CarbonylContact C-O 3.55Å; V98-V166 VanDerWaalsContact CA-O 3.3Å; V98-V166 WeakPolarHBondContact CA-O 3.39Å; V98-V166 HydrophobicContact CG2-CB 4.27Å; V99-V166 PolarHBondContact N-O 3.16Å; I126-V166 HydrophobicContact CB-CG2 4.45Å; I126-V166 WeakPolarHBondContact O-CA 3.44Å; F128-V166 HydrophobicContact CD2-CG1 3.45Å; F128-V166 VanDerWaalsContact CD2-CG1 3.45Å; F128-V166 HydrophobicContact CD2-CG2 4.48Å; F128-V166 HydrophobicContact CE2-CG1 3.87Å; F128-V166 HydrophobicContact CE2-CG2 4.06Å; F128-V166 HydrophobicContact CG-CG1 4.28Å; V166-A168 HydrophobicContact CG1-CB 4.07Å; V166-L173 HydrophobicContact CG1-CD1 4.34Å
167	I	95.5	Very high	78.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122	170.2	-57.3	165.6	0	0	0	107.3	V99 V101 A107 V110 K111 F114 V125 I126 L127 F128	V99-I167 HydrophobicContact CB-CG1 4.19Å; V99-I167 HydrophobicContact CG2-CG1 4.46Å; V99-I167 WeakPolarHBondContact O-CA 3.34Å; V101-I167 HydrophobicContact CG1-CG2 4.46Å; V101-I167 HydrophobicContact CG2-CG2 4.23Å; A107-I167 HydrophobicContact CB-CG2 3.96Å; V110-I167 HydrophobicContact CB-CD1 4.27Å; V110-I167 HydrophobicContact CB-CG2 4.38Å; V110-I167 HydrophobicContact CG1-CD1 3.82Å; V110-I167 HydrophobicContact CG1-CG1 4.29Å; V110-I167 HydrophobicContact CG1-CG2 4.41Å; K111-I167 HydrophobicContact CB-CD1 3.74Å; F114-I167 HydrophobicContact CD2-CD1 3.88Å; F114-I167 HydrophobicContact CE2-CD1 4.37Å; V125-I167 HydrophobicContact CG1-CD1 3.48Å; V125-I167 VanDerWaalsContact CG1-CD1 3.48Å; V125-I167 HydrophobicContact CG1-CG1 4.18Å; I126-I167 PolarHBondContact O-N 3.42Å; L127-I167 CarbonylContact C-O 3.6Å; L127-I167 WeakPolarHBondContact CA-O 3.35Å; L127-I167 HydrophobicContact CD1-CB 4.14Å; L127-I167 HydrophobicContact CD1-CG2 4.13Å; F128-I167 PolarHBondContact N-O 2.56Å
168	A	94.8	Very high	80.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.7	-169.9	0	0	0	0	0	114.6	V99 L100 V101 F128 V166 L173	V99-A168 PolarHBondContact O-N 2.98Å; L100-A168 WeakPolarHBondContact CA-O 3.41Å; L100-A168 HydrophobicContact CD2-CB 4.31Å; V101-A168 PolarHBondContact N-O 2.77Å; F128-A168 HydrophobicContact CB-CB 3.86Å; F128-A168 WeakPolarHBondContact O-CA 3.47Å; F128-A168 WeakPolarHBondContact O-CB 3.49Å; V166-A168 HydrophobicContact CG1-CB 4.07Å; A168-L173 HydrophobicContact CB-CB 3.88Å; A168-L173 HydrophobicContact CB-CD1 4.35Å; A168-L173 HydrophobicContact CB-CD2 4.38Å; A168-L173 HydrophobicContact CB-CG 4.44Å
169	T	92.9	Very high	83	Confident	12 Å²	12	38.2 Å²	38.2	7%	0.074	18%	0.183	C	C	.	.			trans	-82.7	135.2	161.5	52.4	0	0	0	0	109.4	V101 R104 F128 V129 G171 R172 L173	V101-T169 WeakPolarHBondContact O-CA 3.41Å; R104-T169 HydrophobicContact CG-CG2 4.38Å; F128-T169 PolarHBondContact O-N 2.66Å; V129-T169 HydrophobicContact CG1-CG2 4.15Å; T169-G171 PolarHBondContact O-N 3.37Å; T169-R172 PolarHBondContact O-N 2.89Å; T169-L173 PolarHBondContact O-N 3.45Å; T169-L173 VanDerWaalsContact O-N 3.14Å
170	P	93.2	Very high	84.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-49.8	-51	-171.9	-28.4	31.3	0	0	0	114.1	V101 R172 L173 Q174 L204 F209 L213 I216	V101-P170 WeakPolarHBondContact O-CD 3.39Å; P170-R172 VanDerWaalsContact C-N 3.26Å; P170-R172 PolarHBondContact O-N 2.86Å; P170-L173 PolarHBondContact O-N 3.12Å; P170-L173 VanDerWaalsContact O-N 3.09Å; P170-Q174 WeakPolarHBondContact O-CB 3.46Å; P170-Q174 PolarHBondContact O-N 2.7Å; P170-L204 HydrophobicContact CG-CD2 3.72Å; P170-F209 HydrophobicContact CB-CB 4.1Å; P170-F209 HydrophobicContact CB-CD1 4.15Å; P170-F209 HydrophobicContact CB-CG 4.06Å; P170-F209 HydrophobicContact CG-CB 4.1Å; P170-F209 HydrophobicContact CG-CD1 4.45Å; P170-F209 HydrophobicContact CG-CD2 4.02Å; P170-F209 HydrophobicContact CG-CG 3.97Å; P170-L213 HydrophobicContact CB-CD2 4.33Å; P170-L213 HydrophobicContact CG-CD2 4.07Å; P170-I216 HydrophobicContact CB-CD1 4.04Å
171	G	91.9	Very high	85.7	Confident	34 Å²	34	38.7 Å²	38.7	35%	0.351	18%	0.18	S	C	.	.	H	α-helix	trans	-61.8	-28.3	-178.7	0	0	0	0	0	114.7	T169 L175	T169-G171 PolarHBondContact O-N 3.37Å; G171-L175 WeakPolarHBondContact O-CB 3.18Å; G171-L175 PolarHBondContact O-N 2.84Å
172	R	91.9	Very high	86.4	Confident	24 Å²	24	40.1 Å²	40.1	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-78	-39.6	174.2	177.9	57.1	60.1	116	-8.2	111.4	F128 V129 R132 D137 T169 P170 L176	F128-R172 HydrophobicContact CB-CG 4.02Å; V129-R172 PolarHBondContact O-NH1 3.2Å; R132-R172 PolarHBondContact O-NH1 3.01Å; R132-R172 PolarHBondContact O-NH2 3.39Å; D137-R172 IonicContact OD2-CZ 3.66Å; D137-R172 IonicContact OD2-NH1 2.62Å; D137-R172 PolarHBondContact OD2-NH1 2.62Å; T169-R172 PolarHBondContact O-N 2.89Å; P170-R172 VanDerWaalsContact C-N 3.26Å; P170-R172 PolarHBondContact O-N 2.86Å; R172-L176 HydrophobicContact CG-CD1 4.18Å; R172-L176 WeakPolarHBondContact O-CG 2.99Å; R172-L176 PolarHBondContact O-N 2.84Å; R172-L176 VanDerWaalsContact O-N 3.14Å
173	L	93	Very high	87.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-44.6	178.1	-173.3	64.8	0	0	0	111.4	V98 L100 F128 V166 A168 T169 P170 L175 L176 T177 L186 M190 I216	V98-L173 HydrophobicContact CG1-CD2 3.8Å; L100-L173 HydrophobicContact CD2-CD2 3.62Å; F128-L173 HydrophobicContact CD2-CD1 4.11Å; V166-L173 HydrophobicContact CG1-CD1 4.34Å; A168-L173 HydrophobicContact CB-CB 3.88Å; A168-L173 HydrophobicContact CB-CD1 4.35Å; A168-L173 HydrophobicContact CB-CD2 4.38Å; A168-L173 HydrophobicContact CB-CG 4.44Å; T169-L173 PolarHBondContact O-N 3.45Å; T169-L173 VanDerWaalsContact O-N 3.14Å; P170-L173 PolarHBondContact O-N 3.12Å; P170-L173 VanDerWaalsContact O-N 3.09Å; L173-L175 PolarHBondContact O-N 2.83Å; L173-L176 PolarHBondContact O-N 2.76Å; L173-T177 WeakPolarHBondContact O-CB 3.38Å; L173-T177 PolarHBondContact O-N 2.71Å; L173-T177 PolarHBondContact O-OG1 3.44Å; L173-L186 HydrophobicContact CD1-CD2 3.64Å; L173-M190 HydrophobicContact CD1-SD 4.46Å; L173-I216 HydrophobicContact CB-CD1 4.14Å; L173-I216 HydrophobicContact CD2-CD1 4.13Å; L173-I216 HydrophobicContact CD2-CG1 4.34Å; L173-I216 HydrophobicContact CD2-CG2 3.94Å; L173-I216 HydrophobicContact CG-CD1 4.4Å; L173-I216 HydrophobicContact CG-CG1 4.49Å
174	Q	92.7	Very high	87.5	Confident	45 Å²	45	43 Å²	43	21%	0.21	21%	0.213	C	C	.	.	H	α-helix	trans	-56.5	-51.4	174.8	-176.4	-171.9	-0.7	0	0	110.5	P170 L176 T177 D178 S212 I216	P170-Q174 WeakPolarHBondContact O-CB 3.46Å; P170-Q174 PolarHBondContact O-N 2.7Å; Q174-L176 VanDerWaalsContact C-N 3.27Å; Q174-L176 PolarHBondContact O-N 3.27Å; Q174-T177 WeakPolarHBondContact O-CA 3.26Å; Q174-T177 WeakPolarHBondContact O-CB 3.44Å; Q174-T177 PolarHBondContact O-N 3.37Å; Q174-D178 WeakPolarHBondContact CG-OD2 3.36Å; Q174-D178 PolarHBondContact O-N 2.99Å; Q174-S212 PolarHBondContact OE1-OG 3.2Å; Q174-I216 HydrophobicContact CB-CD1 4.4Å; Q174-I216 HydrophobicContact CB-CG1 4.22Å
175	L	90.6	Very high	87.5	Confident	50 Å²	50	45.1 Å²	45.1	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-54.1	-41.3	177.8	179.9	67.9	0	0	0	113.3	V134 G171 L173 T177 R179	V134-L175 HydrophobicContact CG2-CD2 3.84Å; G171-L175 WeakPolarHBondContact O-CB 3.18Å; G171-L175 PolarHBondContact O-N 2.84Å; L173-L175 PolarHBondContact O-N 2.83Å; L175-T177 VanDerWaalsContact C-N 3.33Å; L175-R179 HydrophobicContact CD1-CG 4.31Å; L175-R179 WeakPolarHBondContact O-CB 3.43Å; L175-R179 PolarHBondContact O-N 2.72Å; L175-R179 VanDerWaalsContact O-N 3.14Å
176	L	88.7	Confident	87.2	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-75.3	-21.5	177.8	-72.7	168.8	0	0	0	113.3	F128 V134 V138 R172 L173 Q174 L186	F128-L176 HydrophobicContact CB-CD1 3.98Å; F128-L176 HydrophobicContact CD1-CD1 3.87Å; F128-L176 HydrophobicContact CD2-CD1 3.71Å; F128-L176 HydrophobicContact CE1-CD1 4.25Å; F128-L176 HydrophobicContact CE2-CD1 4.11Å; F128-L176 HydrophobicContact CG-CD1 3.59Å; F128-L176 HydrophobicContact CZ-CD1 4.36Å; V134-L176 HydrophobicContact CG1-CD2 3.6Å; V138-L176 HydrophobicContact CG2-CD2 4Å; R172-L176 HydrophobicContact CG-CD1 4.18Å; R172-L176 WeakPolarHBondContact O-CG 2.99Å; R172-L176 PolarHBondContact O-N 2.84Å; R172-L176 VanDerWaalsContact O-N 3.14Å; L173-L176 PolarHBondContact O-N 2.76Å; Q174-L176 VanDerWaalsContact C-N 3.27Å; Q174-L176 PolarHBondContact O-N 3.27Å; L176-L186 HydrophobicContact CB-CD2 3.6Å; L176-L186 HydrophobicContact CD1-CD2 4.44Å; L176-L186 WeakPolarHBondContact O-CB 3.33Å
177	T	89.2	Confident	86.9	Confident	15 Å²	15	49.9 Å²	49.9	9%	0.092	25%	0.245	C	C	.	.	H	α-helix	trans	-83.7	-37.4	176.9	-53.1	0	0	0	0	110.6	L173 Q174 L175 K187 M190 N219	L173-T177 WeakPolarHBondContact O-CB 3.38Å; L173-T177 PolarHBondContact O-N 2.71Å; L173-T177 PolarHBondContact O-OG1 3.44Å; Q174-T177 WeakPolarHBondContact O-CA 3.26Å; Q174-T177 WeakPolarHBondContact O-CB 3.44Å; Q174-T177 PolarHBondContact O-N 3.37Å; L175-T177 VanDerWaalsContact C-N 3.33Å; T177-K187 HydrophobicContact CG2-CB 4.09Å; T177-M190 HydrophobicContact CG2-CE 3.89Å; T177-N219 HydrophobicContact CG2-CB 3.99Å
178	D	87.3	Confident	86.6	Confident	93 Å²	93	51.6 Å²	51.6	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-77.9	-30.1	-179.6	-65	-14.1	0	0	0	112.5	Q174	Q174-D178 WeakPolarHBondContact CG-OD2 3.36Å; Q174-D178 PolarHBondContact O-N 2.99Å
179	R	83.9	Confident	86.2	Confident	166 Å²	166	52.1 Å²	52.1	63%	0.626	26%	0.262	S	S	*	.	S	Bend	trans	-112.7	127.1	-177.4	-59.6	-174.3	-176.6	-172.2	0.1	111.5	L175 E181	L175-R179 HydrophobicContact CD1-CG 4.31Å; L175-R179 WeakPolarHBondContact O-CB 3.43Å; L175-R179 PolarHBondContact O-N 2.72Å; L175-R179 VanDerWaalsContact O-N 3.14Å; R179-E181 PolarHBondContact O-N 2.61Å
180	K	79.9	Confident	86.2	Confident	149 Å²	149	51.6 Å²	51.6	65%	0.648	26%	0.259	S	S	*	.			trans	-79.6	110.7	165.8	-62.3	-172.2	178.5	-158.7	0	108.7	D185	K180-D185 WeakPolarHBondContact CE-OD2 3.47Å; K180-D185 IonicContact NZ-OD2 3.75Å; K180-D185 PolarHBondContact NZ-OD2 2.9Å
181	E	75.2	Confident	86	Confident	48 Å²	48	60.2 Å²	60.2	22%	0.224	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-111.1	127.4	174	-174.4	81.7	-161.5	0	0	108	V134 R135 V138 R179 D183 L184	V134-E181 HydrophobicContact CG1-CG 4.33Å; R135-E181 HydrophobicContact CG-CG 4.29Å; R135-E181 WeakPolarHBondContact CG-OE1 3.36Å; R135-E181 IonicContact CZ-OE1 3.3Å; R135-E181 IonicContact NE-OE1 3.9Å; R135-E181 PolarHBondContact NE-OE1 2.79Å; R135-E181 IonicContact NH2-OE1 2.81Å; V138-E181 HydrophobicContact CG2-CB 4.01Å; V138-E181 HydrophobicContact CG2-CG 4.08Å; R179-E181 PolarHBondContact O-N 2.61Å; E181-D183 VanDerWaalsContact C-N 3.31Å; E181-D183 PolarHBondContact O-N 3.38Å; E181-L184 WeakPolarHBondContact O-CB 3.3Å; E181-L184 PolarHBondContact O-N 2.94Å; E181-L184 VanDerWaalsContact O-N 3.1Å
182	M	69.8	Low	85.8	Confident	89 Å²	89	60.2 Å²	60.2	44%	0.438	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	45.9	-176.7	-55.6	175.1	66.8	0	0	113.1	V138 V139 K142 L184	V138-M182 HydrophobicContact CG1-CB 4.05Å; V138-M182 HydrophobicContact CG1-CG 4.39Å; V138-M182 HydrophobicContact CG1-SD 4.1Å; V139-M182 HydrophobicContact CG2-CE 4.02Å; V139-M182 HydrophobicContact CG2-SD 3.75Å; K142-M182 WeakPolarHBondContact CE-O 3.41Å; K142-M182 PolarHBondContact NZ-O 3.11Å; M182-L184 PolarHBondContact O-N 3.34Å
183	D	75.7	Confident	85.8	Confident	153 Å²	153	59.2 Å²	59.2	82%	0.818	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	6.8	-178.8	-48.1	-46	0	0	0	115.9	E181 D185	E181-D183 VanDerWaalsContact C-N 3.31Å; E181-D183 PolarHBondContact O-N 3.38Å; D183-D185 PolarHBondContact O-N 2.93Å
184	L	79.4	Confident	85.7	Confident	15 Å²	15	61.1 Å²	61.1	8%	0.079	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-77	109.1	173.7	-177.6	64.7	0	0	0	108.9	V138 F141 E181 M182 L186	V138-L184 HydrophobicContact CB-CD2 4.47Å; V138-L184 HydrophobicContact CG1-CB 4.04Å; V138-L184 HydrophobicContact CG1-CD2 3.96Å; V138-L184 HydrophobicContact CG2-CD2 4.36Å; F141-L184 HydrophobicContact CB-CD2 4.44Å; F141-L184 HydrophobicContact CD1-CD1 3.75Å; F141-L184 HydrophobicContact CD1-CD2 3.7Å; F141-L184 HydrophobicContact CD1-CG 4.41Å; F141-L184 HydrophobicContact CE1-CD1 3.59Å; F141-L184 HydrophobicContact CE1-CD2 4.23Å; F141-L184 HydrophobicContact CG-CD2 4.19Å; E181-L184 WeakPolarHBondContact O-CB 3.3Å; E181-L184 PolarHBondContact O-N 2.94Å; E181-L184 VanDerWaalsContact O-N 3.1Å; M182-L184 PolarHBondContact O-N 3.34Å; L184-L186 PolarHBondContact O-N 3.42Å
185	D	85.7	Confident	85.8	Confident	43 Å²	43	59 Å²	59	23%	0.23	28%	0.281	C	S	.	.			trans	-92.5	89.8	170	-170	-26.8	0	0	0	109.2	K180 D183 K187 A188 C189	K180-D185 WeakPolarHBondContact CE-OD2 3.47Å; K180-D185 IonicContact NZ-OD2 3.75Å; K180-D185 PolarHBondContact NZ-OD2 2.9Å; D183-D185 PolarHBondContact O-N 2.93Å; D185-K187 PolarHBondContact O-N 3.08Å; D185-K187 WeakPolarHBondContact OD1-CB 3.31Å; D185-K187 PolarHBondContact OD1-N 2.98Å; D185-A188 HydrophobicContact CB-CB 3.94Å; D185-A188 WeakPolarHBondContact O-CB 3.23Å; D185-A188 PolarHBondContact O-N 3.37Å; D185-A188 PolarHBondContact OD1-N 2.91Å; D185-C189 PolarHBondContact O-N 2.92Å; D185-C189 VanDerWaalsContact O-N 3.15Å; D185-C189 PolarHBondContact O-SG 3.41Å
186	L	86.7	Confident	86	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-29.4	-177.4	-165.2	67.8	0	0	0	112.1	I95 F128 L173 L176 L184 A188 C189 M190	I95-L186 HydrophobicContact CD1-CD1 3.53Å; I95-L186 HydrophobicContact CD1-CG 4.31Å; F128-L186 HydrophobicContact CD2-CD2 4.43Å; F128-L186 HydrophobicContact CE2-CD1 4.04Å; F128-L186 HydrophobicContact CE2-CD2 4.06Å; L173-L186 HydrophobicContact CD1-CD2 3.64Å; L176-L186 HydrophobicContact CB-CD2 3.6Å; L176-L186 HydrophobicContact CD1-CD2 4.44Å; L176-L186 WeakPolarHBondContact O-CB 3.33Å; L184-L186 PolarHBondContact O-N 3.42Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 2.94Å; L186-C189 HydrophobicContact CD1-CB 4.28Å; L186-C189 WeakPolarHBondContact O-CB 3.43Å; L186-C189 PolarHBondContact O-N 3.16Å; L186-M190 HydrophobicContact CG-CE 4.37Å; L186-M190 WeakPolarHBondContact O-CG 3.18Å; L186-M190 PolarHBondContact O-N 2.93Å; L186-M190 VanDerWaalsContact O-N 3.11Å
187	K	87.7	Confident	86.4	Confident	98 Å²	98	56 Å²	56	43%	0.426	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-41.5	173.6	178.6	175.8	178.8	160.9	0	110.8	T177 D185 M190 N219	T177-K187 HydrophobicContact CG2-CB 4.09Å; D185-K187 PolarHBondContact O-N 3.08Å; D185-K187 WeakPolarHBondContact OD1-CB 3.31Å; D185-K187 PolarHBondContact OD1-N 2.98Å; K187-M190 PolarHBondContact O-N 3.41Å; K187-N219 HydrophobicContact CD-CB 4.49Å; K187-N219 WeakPolarHBondContact CD-OD1 3.34Å; K187-N219 WeakPolarHBondContact CE-OD1 3.48Å; K187-N219 HydrophobicContact CG-CB 4.42Å; K187-N219 PolarHBondContact NZ-OD1 3.19Å
188	A	87.8	Confident	86.7	Confident	35 Å²	35	55.6 Å²	55.6	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-40	173.7	0	0	0	0	0	112.2	D185 L186 M190 R191	D185-A188 HydrophobicContact CB-CB 3.94Å; D185-A188 WeakPolarHBondContact O-CB 3.23Å; D185-A188 PolarHBondContact O-N 3.37Å; D185-A188 PolarHBondContact OD1-N 2.91Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 2.94Å; A188-M190 VanDerWaalsContact C-N 3.26Å; A188-M190 PolarHBondContact O-N 3.04Å; A188-R191 WeakPolarHBondContact O-CG 2.87Å; A188-R191 PolarHBondContact O-N 3.38Å
189	C	88.2	Confident	86.9	Confident	12 Å²	12	51.3 Å²	51.3	8%	0.081	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-30.3	176.4	-64.9	0	0	0	0	113.6	D93 I95 D185 L186	D93-C189 WeakPolarHBondContact O-CB 3.2Å; D93-C189 PolarHBondContact O-SG 3.02Å; I95-C189 HydrophobicContact CD1-CB 3.82Å; I95-C189 HydrophobicContact CG1-CB 4.19Å; I95-C189 PolarHBondContact N-O 3.42Å; D185-C189 PolarHBondContact O-N 2.92Å; D185-C189 VanDerWaalsContact O-N 3.15Å; D185-C189 PolarHBondContact O-SG 3.41Å; L186-C189 HydrophobicContact CD1-CB 4.28Å; L186-C189 WeakPolarHBondContact O-CB 3.43Å; L186-C189 PolarHBondContact O-N 3.16Å
190	M	91.2	Very high	87.1	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.2	-178.2	-66.5	-173.5	-64.2	0	0	114.5	I95 V98 L173 T177 L186 K187 A188 S192 L193 L220 P221	I95-M190 HydrophobicContact CB-CG 4.24Å; I95-M190 HydrophobicContact CD1-CG 3.73Å; V98-M190 HydrophobicContact CG2-SD 4.22Å; L173-M190 HydrophobicContact CD1-SD 4.46Å; T177-M190 HydrophobicContact CG2-CE 3.89Å; L186-M190 HydrophobicContact CG-CE 4.37Å; L186-M190 WeakPolarHBondContact O-CG 3.18Å; L186-M190 PolarHBondContact O-N 2.93Å; L186-M190 VanDerWaalsContact O-N 3.11Å; K187-M190 PolarHBondContact O-N 3.41Å; A188-M190 VanDerWaalsContact C-N 3.26Å; A188-M190 PolarHBondContact O-N 3.04Å; M190-S192 PolarHBondContact O-N 3.33Å; M190-L193 VanDerWaalsContact O-CB 3.22Å; M190-L193 WeakPolarHBondContact O-CB 3.43Å; M190-L193 PolarHBondContact O-N 2.84Å; M190-L193 VanDerWaalsContact O-N 3.11Å; M190-L220 HydrophobicContact CB-CD2 3.9Å; M190-L220 HydrophobicContact CE-CD2 4.23Å; M190-L220 HydrophobicContact CG-CD2 4.35Å; M190-L220 HydrophobicContact SD-CD2 3.75Å; M190-P221 WeakPolarHBondContact O-CD 3.36Å
191	R	89.5	Confident	87.5	Confident	181 Å²	181	36.9 Å²	36.9	68%	0.683	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.7	179.4	-71.6	178.3	-177.5	174.1	2.7	113.3	A188	A188-R191 WeakPolarHBondContact O-CG 2.87Å; A188-R191 PolarHBondContact O-N 3.38Å
192	S	87.3	Confident	87.9	Confident	34 Å²	34	34.6 Å²	34.6	24%	0.238	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	15.4	-177.9	-61.4	0	0	0	0	113.3	K88 E94 M190 E194	K88-S192 PolarHBondContact NZ-O 3.25Å; E94-S192 PolarHBondContact OE1-OG 3.24Å; M190-S192 PolarHBondContact O-N 3.33Å; S192-E194 PolarHBondContact O-N 3.15Å
193	L	92.4	Very high	88.5	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.016	15%	0.151	C	C	.	.			trans	-61.6	125.4	-178.4	-170.6	80	0	0	0	111.2	I95 V98 M190 L196 L220 P221	I95-L193 HydrophobicContact CG2-CD1 3.91Å; I95-L193 WeakPolarHBondContact O-CA 3.17Å; I95-L193 PolarHBondContact O-N 2.93Å; V98-L193 HydrophobicContact CB-CD1 4.12Å; V98-L193 HydrophobicContact CB-CD2 4.44Å; V98-L193 HydrophobicContact CG2-CD1 3.6Å; V98-L193 HydrophobicContact CG2-CD2 4.35Å; M190-L193 VanDerWaalsContact O-CB 3.22Å; M190-L193 WeakPolarHBondContact O-CB 3.43Å; M190-L193 PolarHBondContact O-N 2.84Å; M190-L193 VanDerWaalsContact O-N 3.11Å; L193-L196 HydrophobicContact CD2-CB 4.41Å; L193-L220 HydrophobicContact CD2-CD1 3.8Å; L193-L220 HydrophobicContact CD2-CD2 3.64Å; L193-L220 HydrophobicContact CD2-CG 4.17Å; L193-P221 HydrophobicContact CB-CG 3.86Å; L193-P221 WeakPolarHBondContact O-CG 3.43Å
194	E	91.7	Very high	89	Confident	40 Å²	40	23.1 Å²	23.1	19%	0.187	11%	0.112	C	C	.	.			trans	-100.3	-27.5	177.4	-67.8	-168.1	-161.6	0	0	113	I82 K88 W90 G96 S192 R225	I82-E194 HydrophobicContact CG2-CB 4.35Å; I82-E194 WeakPolarHBondContact CG2-OE2 3.3Å; K88-E194 VanDerWaalsContact CE-OE1 3.27Å; K88-E194 WeakPolarHBondContact CE-OE1 3.44Å; K88-E194 IonicContact NZ-OE1 3.91Å; K88-E194 PolarHBondContact NZ-OE1 2.78Å; W90-E194 HydrophobicContact CH2-CG 4.04Å; W90-E194 HydrophobicContact CZ2-CG 4.46Å; G96-E194 PolarHBondContact O-N 3.32Å; S192-E194 PolarHBondContact O-N 3.15Å; E194-R225 PolarHBondContact O-N 3.38Å
195	V	94.3	Very high	89.2	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.8	-173.1	-174.4	0	0	0	0	112.2	F55 V79 I82 G96 A97 V98 I197 R225	F55-V195 HydrophobicContact CE1-CG1 3.56Å; F55-V195 HydrophobicContact CE1-CG2 4.37Å; F55-V195 HydrophobicContact CZ-CG1 3.54Å; V79-V195 HydrophobicContact CG2-CB 4.43Å; V79-V195 HydrophobicContact CG2-CG1 3.74Å; I82-V195 HydrophobicContact CB-CG2 4.48Å; I82-V195 HydrophobicContact CD1-CG2 3.92Å; I82-V195 HydrophobicContact CG2-CG2 4.02Å; G96-V195 PolarHBondContact O-N 3.18Å; A97-V195 CarbonylContact C-O 3.56Å; A97-V195 VanDerWaalsContact CA-O 3.26Å; A97-V195 WeakPolarHBondContact CA-O 3.31Å; A97-V195 HydrophobicContact CB-CB 4.04Å; V98-V195 PolarHBondContact N-O 3.09Å; V195-I197 HydrophobicContact CG1-CD1 3.79Å; V195-I197 HydrophobicContact CG1-CG1 4.01Å; V195-R225 CarbonylContact C-O 3.53Å; V195-R225 WeakPolarHBondContact CA-O 3.22Å
196	L	95.7	Very high	88.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.2	167.2	176.8	65	0	0	0	109.3	V98 L100 L193 L198 M217 L220 R225 T226 G227	V98-L196 HydrophobicContact CB-CD1 4.16Å; V98-L196 HydrophobicContact CG1-CD1 4.02Å; V98-L196 CarbonylContact O-C 3.46Å; V98-L196 WeakPolarHBondContact O-CA 3.48Å; L100-L196 HydrophobicContact CD1-CD1 4.23Å; L100-L196 HydrophobicContact CG-CD1 4.29Å; L193-L196 HydrophobicContact CD2-CB 4.41Å; L196-L198 HydrophobicContact CD1-CD2 4.38Å; L196-L198 HydrophobicContact CD2-CD2 4.47Å; L196-L198 HydrophobicContact CG-CD2 4.35Å; L196-M217 HydrophobicContact CD2-CG 4.36Å; L196-L220 HydrophobicContact CD1-CD1 3.98Å; L196-L220 HydrophobicContact CD2-CD1 3.91Å; L196-L220 HydrophobicContact CG-CD1 4.42Å; L196-R225 PolarHBondContact N-O 3.43Å; L196-T226 HydrophobicContact CB-CG2 4.45Å; L196-T226 HydrophobicContact CD2-CG2 4.18Å; L196-T226 HydrophobicContact CG-CG2 4.38Å; L196-T226 CarbonylContact O-C 3.48Å; L196-T226 VanDerWaalsContact O-CA 3.26Å; L196-T226 WeakPolarHBondContact O-CA 3.31Å; L196-G227 PolarHBondContact O-N 2.89Å
197	I	95.9	Very high	88.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.2	173.1	-55.6	-60.9	0	0	0	109.1	F55 Y75 V79 V98 V99 L100 V195 D199 G227 F229	F55-I197 HydrophobicContact CE1-CD1 3.99Å; F55-I197 HydrophobicContact CE2-CD1 4.32Å; F55-I197 HydrophobicContact CZ-CD1 3.49Å; F55-I197 VanDerWaalsContact CZ-CD1 3.49Å; Y75-I197 HydrophobicContact CD1-CG2 3.9Å; Y75-I197 HydrophobicContact CD2-CG1 4.19Å; Y75-I197 HydrophobicContact CD2-CG2 3.99Å; Y75-I197 HydrophobicContact CE1-CG2 4.05Å; Y75-I197 HydrophobicContact CE2-CG2 4.21Å; Y75-I197 HydrophobicContact CG-CD1 4.4Å; Y75-I197 HydrophobicContact CG-CG1 4.36Å; Y75-I197 HydrophobicContact CG-CG2 3.86Å; V79-I197 HydrophobicContact CG2-CD1 4.32Å; V79-I197 HydrophobicContact CG2-CG1 4.13Å; V98-I197 PolarHBondContact O-N 3.38Å; V99-I197 HydrophobicContact CB-CB 4.3Å; V99-I197 HydrophobicContact CG1-CB 4.04Å; V99-I197 HydrophobicContact CG1-CG2 4.03Å; V99-I197 HydrophobicContact CG2-CB 4.08Å; V99-I197 HydrophobicContact CG2-CG1 4.21Å; L100-I197 PolarHBondContact N-O 3.31Å; V195-I197 HydrophobicContact CG1-CD1 3.79Å; V195-I197 HydrophobicContact CG1-CG1 4.01Å; I197-D199 HydrophobicContact CG2-CB 4.48Å; I197-G227 CarbonylContact C-O 3.58Å; I197-G227 WeakPolarHBondContact CA-O 3.41Å; I197-F229 HydrophobicContact CD1-CE2 4.12Å; I197-F229 HydrophobicContact CG2-CD2 3.82Å; I197-F229 HydrophobicContact CG2-CE2 4.04Å
198	L	94.7	Very high	87.9	Confident	5 Å²	5	24 Å²	24	3%	0.026	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	96.7	170.1	-55.7	-178.8	0	0	0	107.8	L100 L196 A201 L204 L213 G227 L228 F229 L240	L100-L198 HydrophobicContact CB-CD2 4.01Å; L100-L198 HydrophobicContact CD1-CD2 3.7Å; L100-L198 HydrophobicContact CG-CD2 4.21Å; L196-L198 HydrophobicContact CD1-CD2 4.38Å; L196-L198 HydrophobicContact CD2-CD2 4.47Å; L196-L198 HydrophobicContact CG-CD2 4.35Å; L198-A201 HydrophobicContact CB-CB 4.29Å; L198-L204 HydrophobicContact CB-CD1 4.36Å; L198-L213 HydrophobicContact CD2-CD2 4.25Å; L198-G227 PolarHBondContact N-O 2.9Å; L198-L228 HydrophobicContact CD1-CD1 4.42Å; L198-F229 PolarHBondContact O-N 2.92Å; L198-L240 HydrophobicContact CD1-CD2 3.93Å
199	D	92.5	Very high	87.6	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.2	179.4	-164.1	8.3	0	0	0	110.7	Y75 L100 V101 P102 I197 A201	Y75-D199 HydrophobicContact CE1-CB 4.21Å; Y75-D199 PolarHBondContact OH-OD2 3.24Å; L100-D199 PolarHBondContact O-N 2.7Å; V101-D199 HydrophobicContact CG1-CB 4.15Å; P102-D199 WeakPolarHBondContact CD-O 3.28Å; I197-D199 HydrophobicContact CG2-CB 4.48Å; D199-A201 VanDerWaalsContact C-N 3.33Å; D199-A201 PolarHBondContact O-N 3.48Å
200	E	87.2	Confident	87.4	Confident	11 Å²	11	26.5 Å²	26.5	5%	0.051	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	52	-170.7	-60.5	-85.8	-157.3	0	0	111.5	P102 L106 D202 R203 L204 F229 G373	P102-E200 HydrophobicContact CG-CB 3.8Å; P102-E200 HydrophobicContact CG-CG 4.5Å; L106-E200 HydrophobicContact CD2-CB 4.45Å; L106-E200 HydrophobicContact CD2-CG 3.81Å; E200-D202 VanDerWaalsContact C-N 3.28Å; E200-D202 PolarHBondContact O-N 3.43Å; E200-R203 HydrophobicContact CB-CB 4.27Å; E200-R203 HydrophobicContact CB-CG 4.32Å; E200-R203 WeakPolarHBondContact O-CA 3.31Å; E200-R203 WeakPolarHBondContact O-CB 3.3Å; E200-R203 PolarHBondContact O-N 3.36Å; E200-R203 IonicContact OE1-CZ 3.74Å; E200-R203 IonicContact OE1-NH1 2.61Å; E200-R203 PolarHBondContact OE1-NH1 3.26Å; E200-R203 IonicContact OE1-NH2 2.66Å; E200-R203 IonicContact OE2-CZ 3.83Å; E200-R203 IonicContact OE2-NE 2.68Å; E200-R203 IonicContact OE2-NH1 2.72Å; E200-R203 PolarHBondContact OE2-NH1 2.93Å; E200-R203 IonicContact OE2-NH2 3.37Å; E200-R203 PolarHBondContact OE2-NH2 2.71Å; E200-L204 PolarHBondContact O-N 2.96Å; E200-L204 VanDerWaalsContact O-N 3.15Å; E200-F229 WeakPolarHBondContact CA-O 3.48Å; E200-F229 PolarHBondContact N-O 2.74Å; E200-G373 WeakPolarHBondContact OE1-CA 3.42Å
201	A	88.7	Confident	87.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-33.3	-170.1	0	0	0	0	0	114.4	L198 D199 R203 L204 L205 L228 F229 M237	L198-A201 HydrophobicContact CB-CB 4.29Å; D199-A201 VanDerWaalsContact C-N 3.33Å; D199-A201 PolarHBondContact O-N 3.48Å; A201-R203 VanDerWaalsContact C-N 3.26Å; A201-R203 PolarHBondContact O-N 3.27Å; A201-L204 WeakPolarHBondContact O-CB 3.48Å; A201-L204 PolarHBondContact O-N 3Å; A201-L205 PolarHBondContact O-N 3.32Å; A201-L228 HydrophobicContact CB-CD1 4.07Å; A201-L228 HydrophobicContact CB-CD2 3.85Å; A201-L228 HydrophobicContact CB-CG 3.7Å; A201-F229 PolarHBondContact N-O 2.92Å; A201-M237 VanDerWaalsContact C-CE 3.42Å; A201-M237 HydrophobicContact CB-CE 3.75Å; A201-M237 HydrophobicContact CB-SD 4.21Å
202	D	83.9	Confident	87.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-42.1	174.4	51.2	-25.6	0	0	0	110.2	E200 L204 L205 D206 S230 T232 M237 H396	E200-D202 VanDerWaalsContact C-N 3.28Å; E200-D202 PolarHBondContact O-N 3.43Å; D202-L204 PolarHBondContact O-N 2.9Å; D202-L205 PolarHBondContact O-N 2.73Å; D202-D206 VanDerWaalsContact O-CG 3.31Å; D202-D206 PolarHBondContact O-N 3.39Å; D202-S230 WeakPolarHBondContact CB-OG 3.21Å; D202-S230 PolarHBondContact OD1-OG 3.46Å; D202-S230 PolarHBondContact OD2-OG 3.24Å; D202-T232 WeakPolarHBondContact CB-OG1 3.38Å; D202-T232 PolarHBondContact OD2-OG1 3.23Å; D202-M237 HydrophobicContact CB-CE 3.57Å; D202-H396 IonicContact OD2-CE1 3.37Å; D202-H396 PolarHBondContact OD2-CE1 3.48Å; D202-H396 IonicContact OD2-NE2 2.89Å; D202-H396 PolarHBondContact OD2-NE2 2.82Å
203	R	81.5	Confident	87.4	Confident	1 Å²	1	21.8 Å²	21.8	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-71.2	-31.2	177.7	-60.2	-170.9	176.7	132.1	20.6	113.2	P102 E200 A201 L205 L207 G373 H396	P102-R203 HydrophobicContact CB-CB 4Å; P102-R203 HydrophobicContact CG-CB 4.04Å; E200-R203 HydrophobicContact CB-CB 4.27Å; E200-R203 HydrophobicContact CB-CG 4.32Å; E200-R203 WeakPolarHBondContact O-CA 3.31Å; E200-R203 WeakPolarHBondContact O-CB 3.3Å; E200-R203 PolarHBondContact O-N 3.36Å; E200-R203 IonicContact OE1-CZ 3.74Å; E200-R203 IonicContact OE1-NH1 2.61Å; E200-R203 PolarHBondContact OE1-NH1 3.26Å; E200-R203 IonicContact OE1-NH2 2.66Å; E200-R203 IonicContact OE2-CZ 3.83Å; E200-R203 IonicContact OE2-NE 2.68Å; E200-R203 IonicContact OE2-NH1 2.72Å; E200-R203 PolarHBondContact OE2-NH1 2.93Å; E200-R203 IonicContact OE2-NH2 3.37Å; E200-R203 PolarHBondContact OE2-NH2 2.71Å; A201-R203 VanDerWaalsContact C-N 3.26Å; A201-R203 PolarHBondContact O-N 3.27Å; R203-L205 VanDerWaalsContact C-N 3.27Å; R203-L207 VanDerWaalsContact O-CB 3.28Å; R203-L207 WeakPolarHBondContact O-CB 3.41Å; R203-L207 WeakPolarHBondContact O-CG 3.24Å; R203-L207 PolarHBondContact O-N 3.15Å; R203-G373 VanDerWaalsContact NH1-CA 3.26Å; R203-H396 PolarHBondContact NE-ND1 3.25Å; R203-H396 PolarHBondContact NH2-CD2 2.96Å; R203-H396 VanDerWaalsContact NH2-CD2 3.27Å
204	L	86.3	Confident	87.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-42.8	173.7	-64.2	173.4	0	0	0	110.1	L100 P102 P170 L198 E200 A201 D202 F209 L213	L100-L204 HydrophobicContact CB-CD1 4.42Å; P102-L204 HydrophobicContact CB-CD2 3.96Å; P170-L204 HydrophobicContact CG-CD2 3.72Å; L198-L204 HydrophobicContact CB-CD1 4.36Å; E200-L204 PolarHBondContact O-N 2.96Å; E200-L204 VanDerWaalsContact O-N 3.15Å; A201-L204 WeakPolarHBondContact O-CB 3.48Å; A201-L204 PolarHBondContact O-N 3Å; D202-L204 PolarHBondContact O-N 2.9Å; L204-F209 HydrophobicContact CD2-CD2 4.11Å; L204-F209 WeakPolarHBondContact O-CB 3.39Å; L204-F209 PolarHBondContact O-N 2.88Å; L204-F209 VanDerWaalsContact O-N 3.11Å; L204-L213 HydrophobicContact CB-CD1 3.96Å; L204-L213 HydrophobicContact CD1-CD1 4.39Å; L204-L213 HydrophobicContact CD1-CD2 4.35Å
205	L	84.4	Confident	87.1	Confident	28 Å²	28	23.6 Å²	23.6	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-70.1	-44.8	176.8	-63.1	175.6	0	0	0	112.3	A201 D202 R203 L207 G208 L213 M237 L240	A201-L205 PolarHBondContact O-N 3.32Å; D202-L205 PolarHBondContact O-N 2.73Å; R203-L205 VanDerWaalsContact C-N 3.27Å; L205-L207 PolarHBondContact O-N 3.49Å; L205-G208 PolarHBondContact O-N 3.04Å; L205-L213 HydrophobicContact CD2-CD1 4.46Å; L205-M237 HydrophobicContact CD1-CB 3.9Å; L205-M237 HydrophobicContact CD1-CE 4.36Å; L205-M237 HydrophobicContact CD1-CG 4.28Å; L205-L240 HydrophobicContact CD1-CD2 4.48Å; L205-L240 HydrophobicContact CD2-CD2 4.25Å
206	D	76	Confident	87	Confident	39 Å²	39	23.6 Å²	23.6	21%	0.209	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-30.2	178.8	-74.5	-11.8	0	0	0	113	D202 G208 Q390 N392 W393	D202-D206 VanDerWaalsContact O-CG 3.31Å; D202-D206 PolarHBondContact O-N 3.39Å; D206-G208 PolarHBondContact O-N 3.33Å; D206-Q390 PolarHBondContact OD2-OE1 3.11Å; D206-Q390 VanDerWaalsContact OD2-OE1 3.13Å; D206-N392 PolarHBondContact OD2-ND2 3.25Å; D206-W393 PolarHBondContact OD2-NE1 3.21Å
207	L	74.9	Confident	86.7	Confident	67 Å²	67	24.6 Å²	24.6	35%	0.351	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.8	176.6	-88.1	168.3	0	0	0	114.1	P102 R203 L205 F209	P102-L207 HydrophobicContact CB-CD1 3.77Å; R203-L207 VanDerWaalsContact O-CB 3.28Å; R203-L207 WeakPolarHBondContact O-CB 3.41Å; R203-L207 WeakPolarHBondContact O-CG 3.24Å; R203-L207 PolarHBondContact O-N 3.15Å; L205-L207 PolarHBondContact O-N 3.49Å; L207-F209 HydrophobicContact CB-CD2 3.61Å; L207-F209 HydrophobicContact CB-CE2 3.61Å; L207-F209 HydrophobicContact CB-CG 4.37Å; L207-F209 HydrophobicContact CB-CZ 4.35Å; L207-F209 HydrophobicContact CD1-CD2 4.25Å; L207-F209 HydrophobicContact CD1-CE2 3.59Å; L207-F209 HydrophobicContact CD1-CZ 4.42Å; L207-F209 HydrophobicContact CG-CE2 4.15Å
208	G	81.3	Confident	86.3	Confident	45 Å²	45	31 Å²	31	46%	0.464	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	21.9	-176.6	0	0	0	0	0	113.7	L205 D206 S210	L205-G208 PolarHBondContact O-N 3.04Å; D206-G208 PolarHBondContact O-N 3.33Å; G208-S210 PolarHBondContact O-N 3.03Å
209	F	82.6	Confident	86	Confident	43 Å²	43	32.3 Å²	32.3	19%	0.189	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	10	176	-64.5	-54.7	0	0	0	113.7	P170 L204 L207 T211 S212 L213	P170-F209 HydrophobicContact CB-CB 4.1Å; P170-F209 HydrophobicContact CB-CD1 4.15Å; P170-F209 HydrophobicContact CB-CG 4.06Å; P170-F209 HydrophobicContact CG-CB 4.1Å; P170-F209 HydrophobicContact CG-CD1 4.45Å; P170-F209 HydrophobicContact CG-CD2 4.02Å; P170-F209 HydrophobicContact CG-CG 3.97Å; L204-F209 HydrophobicContact CD2-CD2 4.11Å; L204-F209 WeakPolarHBondContact O-CB 3.39Å; L204-F209 PolarHBondContact O-N 2.88Å; L204-F209 VanDerWaalsContact O-N 3.11Å; L207-F209 HydrophobicContact CB-CD2 3.61Å; L207-F209 HydrophobicContact CB-CE2 3.61Å; L207-F209 HydrophobicContact CB-CG 4.37Å; L207-F209 HydrophobicContact CB-CZ 4.35Å; L207-F209 HydrophobicContact CD1-CD2 4.25Å; L207-F209 HydrophobicContact CD1-CE2 3.59Å; L207-F209 HydrophobicContact CD1-CZ 4.42Å; L207-F209 HydrophobicContact CG-CE2 4.15Å; F209-T211 VanDerWaalsContact C-N 3.3Å; F209-T211 PolarHBondContact O-N 2.93Å; F209-S212 PolarHBondContact O-N 3.27Å; F209-L213 HydrophobicContact CB-CG 4.42Å; F209-L213 WeakPolarHBondContact O-CB 3.38Å; F209-L213 VanDerWaalsContact O-CG 3.3Å; F209-L213 WeakPolarHBondContact O-CG 3.34Å; F209-L213 PolarHBondContact O-N 3.46Å
210	S	84.1	Confident	86	Confident	56 Å²	56	32.7 Å²	32.7	39%	0.392	20%	0.197	S	C	.	.	H	α-helix	trans	-56.3	-42	-177.9	50.4	0	0	0	0	112.8	G208 S214	G208-S210 PolarHBondContact O-N 3.03Å; S210-S214 WeakPolarHBondContact O-CB 3.28Å; S210-S214 PolarHBondContact O-N 2.85Å; S210-S214 PolarHBondContact O-OG 3.23Å
211	T	86.6	Confident	86.2	Confident	101 Å²	101	33.4 Å²	33.4	62%	0.62	20%	0.203	S	C	*	.	H	α-helix	trans	-65.6	-47.6	176.6	52.9	0	0	0	0	111.4	F209 L213 S214 S215	F209-T211 VanDerWaalsContact C-N 3.3Å; F209-T211 PolarHBondContact O-N 2.93Å; T211-L213 PolarHBondContact O-N 3.01Å; T211-S214 PolarHBondContact O-N 2.84Å; T211-S215 WeakPolarHBondContact O-CB 3.4Å; T211-S215 PolarHBondContact O-N 3.48Å
212	S	90.4	Very high	86	Confident	13 Å²	13	41.5 Å²	41.5	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-42.6	176	-60.5	0	0	0	0	112.7	Q174 F209 I216	Q174-S212 PolarHBondContact OE1-OG 3.2Å; F209-S212 PolarHBondContact O-N 3.27Å; S212-I216 WeakPolarHBondContact O-CB 3.39Å; S212-I216 WeakPolarHBondContact O-CD1 3.49Å; S212-I216 WeakPolarHBondContact O-CG1 3.44Å; S212-I216 PolarHBondContact O-N 3.27Å
213	L	90.8	Very high	86.2	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-43.8	177.6	-73.5	179.6	0	0	0	111.3	L100 P170 L198 L204 L205 F209 T211 I216 M217 L240	L100-L213 HydrophobicContact CD1-CD2 3.48Å; L100-L213 VanDerWaalsContact CD1-CD2 3.48Å; P170-L213 HydrophobicContact CB-CD2 4.33Å; P170-L213 HydrophobicContact CG-CD2 4.07Å; L198-L213 HydrophobicContact CD2-CD2 4.25Å; L204-L213 HydrophobicContact CB-CD1 3.96Å; L204-L213 HydrophobicContact CD1-CD1 4.39Å; L204-L213 HydrophobicContact CD1-CD2 4.35Å; L205-L213 HydrophobicContact CD2-CD1 4.46Å; F209-L213 HydrophobicContact CB-CG 4.42Å; F209-L213 WeakPolarHBondContact O-CB 3.38Å; F209-L213 VanDerWaalsContact O-CG 3.3Å; F209-L213 WeakPolarHBondContact O-CG 3.34Å; F209-L213 PolarHBondContact O-N 3.46Å; T211-L213 PolarHBondContact O-N 3.01Å; L213-I216 PolarHBondContact O-N 3.16Å; L213-M217 WeakPolarHBondContact O-CB 3.47Å; L213-M217 VanDerWaalsContact O-CG 3.28Å; L213-M217 WeakPolarHBondContact O-CG 3.49Å; L213-M217 PolarHBondContact O-N 2.89Å; L213-L240 HydrophobicContact CD1-CD1 4.36Å; L213-L240 HydrophobicContact CD1-CD2 4.21Å
214	S	87.9	Confident	86.6	Confident	54 Å²	54	48.5 Å²	48.5	38%	0.378	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-51.2	177.5	-54.4	0	0	0	0	110.8	S210 T211 I216 M217 D218	S210-S214 WeakPolarHBondContact O-CB 3.28Å; S210-S214 PolarHBondContact O-N 2.85Å; S210-S214 PolarHBondContact O-OG 3.23Å; T211-S214 PolarHBondContact O-N 2.84Å; S214-I216 VanDerWaalsContact C-N 3.32Å; S214-I216 PolarHBondContact O-N 3.26Å; S214-M217 PolarHBondContact O-N 2.69Å; S214-M217 VanDerWaalsContact O-N 3.1Å; S214-D218 VanDerWaalsContact O-CG 3.22Å; S214-D218 PolarHBondContact O-N 3.24Å
215	S	89.4	Confident	86.9	Confident	27 Å²	27	50 Å²	50	19%	0.189	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-40.1	176.7	172.8	0	0	0	0	113.2	T211 N219	T211-S215 WeakPolarHBondContact O-CB 3.4Å; T211-S215 PolarHBondContact O-N 3.48Å; S215-N219 PolarHBondContact O-ND2 3.32Å
216	I	91.5	Very high	87.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-51.4	174.4	-69.2	160.2	0	0	0	109.9	L100 P170 L173 Q174 S212 L213 S214 D218 N219 L220	L100-I216 HydrophobicContact CD1-CD1 4.25Å; L100-I216 HydrophobicContact CD1-CG2 4.34Å; L100-I216 HydrophobicContact CD2-CD1 4.47Å; P170-I216 HydrophobicContact CB-CD1 4.04Å; L173-I216 HydrophobicContact CB-CD1 4.14Å; L173-I216 HydrophobicContact CD2-CD1 4.13Å; L173-I216 HydrophobicContact CD2-CG1 4.34Å; L173-I216 HydrophobicContact CD2-CG2 3.94Å; L173-I216 HydrophobicContact CG-CD1 4.4Å; L173-I216 HydrophobicContact CG-CG1 4.49Å; Q174-I216 HydrophobicContact CB-CD1 4.4Å; Q174-I216 HydrophobicContact CB-CG1 4.22Å; S212-I216 WeakPolarHBondContact O-CB 3.39Å; S212-I216 WeakPolarHBondContact O-CD1 3.49Å; S212-I216 WeakPolarHBondContact O-CG1 3.44Å; S212-I216 PolarHBondContact O-N 3.27Å; L213-I216 PolarHBondContact O-N 3.16Å; S214-I216 VanDerWaalsContact C-N 3.32Å; S214-I216 PolarHBondContact O-N 3.26Å; I216-D218 VanDerWaalsContact C-N 3.28Å; I216-D218 PolarHBondContact O-N 3.45Å; I216-N219 PolarHBondContact O-N 3.02Å; I216-L220 HydrophobicContact CG2-CD1 4.06Å; I216-L220 HydrophobicContact CG2-CG 4.39Å; I216-L220 WeakPolarHBondContact O-CG 3.39Å; I216-L220 PolarHBondContact O-N 3.1Å
217	M	89.5	Confident	88.3	Confident	21 Å²	21	47 Å²	47	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-34.7	-176.7	-73.5	-173.6	-62.1	0	0	113.2	L196 L213 S214 N219 L220 L240	L196-M217 HydrophobicContact CD2-CG 4.36Å; L213-M217 WeakPolarHBondContact O-CB 3.47Å; L213-M217 VanDerWaalsContact O-CG 3.28Å; L213-M217 WeakPolarHBondContact O-CG 3.49Å; L213-M217 PolarHBondContact O-N 2.89Å; S214-M217 PolarHBondContact O-N 2.69Å; S214-M217 VanDerWaalsContact O-N 3.1Å; M217-N219 PolarHBondContact O-N 2.87Å; M217-L220 PolarHBondContact O-N 2.83Å; M217-L220 VanDerWaalsContact O-N 3.15Å; M217-L240 HydrophobicContact CE-CD1 3.59Å; M217-L240 HydrophobicContact SD-CD1 4.42Å
218	D	88.5	Confident	89.2	Confident	134 Å²	134	43.8 Å²	43.8	72%	0.717	25%	0.25	S	S	*	.	H	α-helix	trans	-63.6	-26.6	176.2	-68.7	-24	0	0	0	112.8	S214 I216	S214-D218 VanDerWaalsContact O-CG 3.22Å; S214-D218 PolarHBondContact O-N 3.24Å; I216-D218 VanDerWaalsContact C-N 3.28Å; I216-D218 PolarHBondContact O-N 3.45Å
219	N	88.9	Confident	89.7	Confident	33 Å²	33	41.6 Å²	41.6	18%	0.176	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.7	178.3	-71.8	-57.7	0	0	0	113.6	T177 K187 S215 I216 M217	T177-N219 HydrophobicContact CG2-CB 3.99Å; K187-N219 HydrophobicContact CD-CB 4.49Å; K187-N219 WeakPolarHBondContact CD-OD1 3.34Å; K187-N219 WeakPolarHBondContact CE-OD1 3.48Å; K187-N219 HydrophobicContact CG-CB 4.42Å; K187-N219 PolarHBondContact NZ-OD1 3.19Å; S215-N219 PolarHBondContact O-ND2 3.32Å; I216-N219 PolarHBondContact O-N 3.02Å; M217-N219 PolarHBondContact O-N 2.87Å
220	L	91.7	Very high	90	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.058	22%	0.219	C	C	.	.	S	Bend	trans	-98.5	149.6	-178.4	-66.3	-178	0	0	0	112.3	M190 L193 L196 I216 M217 K222	M190-L220 HydrophobicContact CB-CD2 3.9Å; M190-L220 HydrophobicContact CE-CD2 4.23Å; M190-L220 HydrophobicContact CG-CD2 4.35Å; M190-L220 HydrophobicContact SD-CD2 3.75Å; L193-L220 HydrophobicContact CD2-CD1 3.8Å; L193-L220 HydrophobicContact CD2-CD2 3.64Å; L193-L220 HydrophobicContact CD2-CG 4.17Å; L196-L220 HydrophobicContact CD1-CD1 3.98Å; L196-L220 HydrophobicContact CD2-CD1 3.91Å; L196-L220 HydrophobicContact CG-CD1 4.42Å; I216-L220 HydrophobicContact CG2-CD1 4.06Å; I216-L220 HydrophobicContact CG2-CG 4.39Å; I216-L220 WeakPolarHBondContact O-CG 3.39Å; I216-L220 PolarHBondContact O-N 3.1Å; M217-L220 PolarHBondContact O-N 2.83Å; M217-L220 VanDerWaalsContact O-N 3.15Å; L220-K222 PolarHBondContact O-N 3.31Å
221	P	90.7	Very high	89.7	Confident	27 Å²	27	37 Å²	37	18%	0.175	20%	0.202	C	C	.	.			trans	-60.2	135.3	176.3	25.4	-34.4	0	0	0	110.8	M190 L193 T223 R224	M190-P221 WeakPolarHBondContact O-CD 3.36Å; L193-P221 HydrophobicContact CB-CG 3.86Å; L193-P221 WeakPolarHBondContact O-CG 3.43Å; P221-T223 PolarHBondContact O-N 3.1Å; P221-R224 WeakPolarHBondContact O-CD 3.4Å; P221-R224 WeakPolarHBondContact O-CG 3.38Å; P221-R224 PolarHBondContact O-NH1 3.02Å
222	K	85.8	Confident	89.2	Confident	169 Å²	169	33.3 Å²	33.3	74%	0.735	18%	0.179	S	C	*	.	S	Bend	trans	-67.1	-25.5	179.2	-59.5	-173.7	176.4	-179.2	0	112.5	L220 R224 R246	L220-K222 PolarHBondContact O-N 3.31Å; K222-R224 PolarHBondContact O-N 3.06Å; K222-R246 PolarHBondContact O-NH1 3.1Å; K222-R246 PolarHBondContact O-NH2 2.82Å
223	T	87.1	Confident	88.7	Confident	113 Å²	113	35.1 Å²	35.1	69%	0.693	19%	0.186	S	C	*	.	S	Bend	trans	-91.6	81.2	176	52	0	0	0	0	110.1	P221	P221-T223 PolarHBondContact O-N 3.1Å
224	R	91.3	Very high	87.9	Confident	36 Å²	36	37.3 Å²	37.3	14%	0.136	20%	0.201	C	C	.	.	S	Bend	trans	-144.3	160.8	177.2	65.5	-177.8	-175.9	-96.8	1.2	109.3	P221 K222	P221-R224 WeakPolarHBondContact O-CD 3.4Å; P221-R224 WeakPolarHBondContact O-CG 3.38Å; P221-R224 PolarHBondContact O-NH1 3.02Å; K222-R224 PolarHBondContact O-N 3.06Å
225	R	92.6	Very high	87.5	Confident	31 Å²	31	42.5 Å²	42.5	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	136.1	166.3	-63.1	172.7	-175.1	84	-7	109.2	F55 D60 E194 V195 L196	F55-R225 HydrophobicContact CE2-CB 4.17Å; F55-R225 HydrophobicContact CZ-CB 4.07Å; F55-R225 WeakPolarHBondContact O-CD 3.28Å; F55-R225 PolarHBondContact O-NE 3.45Å; D60-R225 WeakPolarHBondContact OD1-CA 3.23Å; E194-R225 PolarHBondContact O-N 3.38Å; V195-R225 CarbonylContact C-O 3.53Å; V195-R225 WeakPolarHBondContact CA-O 3.22Å; L196-R225 PolarHBondContact N-O 3.43Å
226	T	94.7	Very high	87	Confident	3 Å²	3	50 Å²	50	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.5	176.6	-53.5	0	0	0	0	110	D60 V61 L196 M245	D60-T226 CarbonylContact C-O 3.45Å; D60-T226 VanDerWaalsContact CA-O 3.24Å; D60-T226 WeakPolarHBondContact CA-O 3.32Å; D60-T226 WeakPolarHBondContact CB-O 3.2Å; D60-T226 PolarHBondContact OD1-N 3.33Å; V61-T226 PolarHBondContact N-O 3.36Å; L196-T226 HydrophobicContact CB-CG2 4.45Å; L196-T226 HydrophobicContact CD2-CG2 4.18Å; L196-T226 HydrophobicContact CG-CG2 4.38Å; L196-T226 CarbonylContact O-C 3.48Å; L196-T226 VanDerWaalsContact O-CA 3.26Å; L196-T226 WeakPolarHBondContact O-CA 3.31Å; T226-M245 HydrophobicContact CG2-CE 4.17Å; T226-M245 HydrophobicContact CG2-CG 3.87Å; T226-M245 HydrophobicContact CG2-SD 4.41Å; T226-M245 VanDerWaalsContact O-CE 3.31Å; T226-M245 WeakPolarHBondContact O-CE 3.24Å
227	G	94.4	Very high	86.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.7	174.2	0	0	0	0	0	110.2	V61 L196 I197 L198	V61-G227 CarbonylContact O-C 3.57Å; V61-G227 WeakPolarHBondContact O-CA 3.08Å; L196-G227 PolarHBondContact O-N 2.89Å; I197-G227 CarbonylContact C-O 3.58Å; I197-G227 WeakPolarHBondContact CA-O 3.41Å; L198-G227 PolarHBondContact N-O 2.9Å
228	L	93.9	Very high	86.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.7	175	-173.1	153.9	0	0	0	109	V61 I62 V63 L198 A201 M233 M237 V241 M245	V61-L228 PolarHBondContact O-N 2.5Å; I62-L228 CarbonylContact C-O 3.57Å; I62-L228 WeakPolarHBondContact CA-O 3.47Å; I62-L228 HydrophobicContact CG1-CB 4.19Å; I62-L228 HydrophobicContact CG2-CD2 4.15Å; V63-L228 PolarHBondContact N-O 2.97Å; L198-L228 HydrophobicContact CD1-CD1 4.42Å; A201-L228 HydrophobicContact CB-CD1 4.07Å; A201-L228 HydrophobicContact CB-CD2 3.85Å; A201-L228 HydrophobicContact CB-CG 3.7Å; L228-M233 HydrophobicContact CD2-CE 4.08Å; L228-M237 HydrophobicContact CD1-CG 3.99Å; L228-M237 HydrophobicContact CD1-SD 4.11Å; L228-M237 HydrophobicContact CD2-CG 4.47Å; L228-M237 HydrophobicContact CD2-SD 3.55Å; L228-M237 VanDerWaalsContact CD2-SD 3.55Å; L228-M237 HydrophobicContact CG-SD 4.42Å; L228-V241 HydrophobicContact CD1-CG2 3.84Å; L228-M245 HydrophobicContact CB-CE 3.96Å; L228-M245 HydrophobicContact CB-SD 3.96Å; L228-M245 HydrophobicContact CD1-SD 4.25Å
229	F	92	Very high	86	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.8	-179	-64.6	-96.8	0	0	0	109.6	V63 K71 S74 Y75 I197 L198 E200 A201	V63-F229 HydrophobicContact CB-CD1 3.61Å; V63-F229 HydrophobicContact CB-CE1 3.72Å; V63-F229 HydrophobicContact CB-CG 4.43Å; V63-F229 HydrophobicContact CG1-CD1 4.17Å; V63-F229 HydrophobicContact CG1-CE1 4.33Å; V63-F229 HydrophobicContact CG2-CD1 3.87Å; V63-F229 HydrophobicContact CG2-CE1 3.41Å; V63-F229 VanDerWaalsContact CG2-CE1 3.41Å; V63-F229 HydrophobicContact CG2-CZ 4.01Å; K71-F229 HydrophobicContact CB-CD1 4.3Å; S74-F229 WeakPolarHBondContact OG-CE1 3.48Å; Y75-F229 HydrophobicContact CD1-CD1 4.01Å; Y75-F229 AromaticContact CD1-CD2 3.74Å; Y75-F229 HydrophobicContact CD1-CD2 3.74Å; Y75-F229 HydrophobicContact CD1-CE1 4.02Å; Y75-F229 AromaticContact CD1-CE2 3.76Å; Y75-F229 HydrophobicContact CD1-CE2 3.76Å; Y75-F229 AromaticContact CD1-CG 3.9Å; Y75-F229 HydrophobicContact CD1-CG 3.9Å; Y75-F229 AromaticContact CD1-CZ 3.93Å; Y75-F229 HydrophobicContact CD1-CZ 3.93Å; Y75-F229 HydrophobicContact CE1-CD2 4.39Å; Y75-F229 HydrophobicContact CE1-CG 4.38Å; Y75-F229 HydrophobicContact CG-CD2 4.45Å; Y75-F229 HydrophobicContact CG-CE2 4.09Å; Y75-F229 HydrophobicContact CG-CZ 4.23Å; I197-F229 HydrophobicContact CD1-CE2 4.12Å; I197-F229 HydrophobicContact CG2-CD2 3.82Å; I197-F229 HydrophobicContact CG2-CE2 4.04Å; L198-F229 PolarHBondContact O-N 2.92Å; E200-F229 WeakPolarHBondContact CA-O 3.48Å; E200-F229 PolarHBondContact N-O 2.74Å; A201-F229 PolarHBondContact N-O 2.92Å
230	S	87.6	Confident	85.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.6	177.6	-172.7	0	0	0	0	112	V63 Q64 A65 D202 T232	V63-S230 PolarHBondContact O-N 3.23Å; Q64-S230 WeakPolarHBondContact CA-O 3.29Å; A65-S230 PolarHBondContact N-O 3.48Å; D202-S230 WeakPolarHBondContact CB-OG 3.21Å; D202-S230 PolarHBondContact OD1-OG 3.46Å; D202-S230 PolarHBondContact OD2-OG 3.24Å; S230-T232 WeakPolarHBondContact CB-O 3.48Å; S230-T232 PolarHBondContact OG-N 3.39Å; S230-T232 PolarHBondContact OG-O 2.76Å
231	A	79.3	Confident	85.4	Confident	2 Å²	2	51.7 Å²	51.7	2%	0.017	25%	0.246	C	C	.	.	S	Bend	trans	-87.7	-26.7	167.3	0	0	0	0	0	112	A65 T278	A65-A231 WeakPolarHBondContact O-CA 3.41Å; A231-T278 WeakPolarHBondContact O-CG2 3.49Å
232	T	75.4	Confident	85.1	Confident	24 Å²	24	57.4 Å²	57.4	15%	0.147	27%	0.269	C	S	.	.			trans	-131.5	154.6	-175.1	66.9	0	0	0	0	111	D202 S230	D202-T232 WeakPolarHBondContact CB-OG1 3.38Å; D202-T232 PolarHBondContact OD2-OG1 3.23Å; S230-T232 WeakPolarHBondContact CB-O 3.48Å; S230-T232 PolarHBondContact OG-N 3.39Å; S230-T232 PolarHBondContact OG-O 2.76Å
233	M	79.4	Confident	85	Confident	50 Å²	50	53.4 Å²	53.4	25%	0.246	27%	0.267	C	S	.	.			trans	-126.4	76	-178.5	-167.4	65.3	57.1	0	0	110	I62 L228 M237	I62-M233 HydrophobicContact CG2-CE 3.34Å; L228-M233 HydrophobicContact CD2-CE 4.08Å; M233-M237 HydrophobicContact CE-SD 3.66Å; M233-M237 HydrophobicContact SD-CB 3.97Å; M233-M237 HydrophobicContact SD-CG 3.64Å; M233-M237 HydrophobicContact SD-SD 3.23Å
234	P	75.2	Confident	84.7	Confident	47 Å²	47	48.6 Å²	48.6	31%	0.305	24%	0.24	S	C	.	.			trans	-70.3	155	175.1	30	-34.5	0	0	0	111.3	R236 M237	P234-R236 PolarHBondContact O-N 3.13Å; P234-R236 VanDerWaalsContact O-N 3.11Å; P234-M237 HydrophobicContact CG-CB 4.24Å; P234-M237 HydrophobicContact CG-CE 4.43Å; P234-M237 WeakPolarHBondContact O-CA 3.24Å; P234-M237 WeakPolarHBondContact O-CB 3.39Å; P234-M237 PolarHBondContact O-N 3.01Å
235	E	77.9	Confident	84.6	Confident	163 Å²	163	47.8 Å²	47.8	76%	0.762	24%	0.238	S	C	*	.	H	α-helix	trans	-51.7	-39.2	-178.4	-65.9	179.8	166.8	0	0	113.8	M237 E238	E235-M237 PolarHBondContact O-N 3.04Å; E235-M237 VanDerWaalsContact O-N 3.13Å; E235-E238 VanDerWaalsContact O-CB 3.3Å; E235-E238 WeakPolarHBondContact O-CB 3.35Å; E235-E238 PolarHBondContact O-N 3.35Å
236	R	79.3	Confident	84.2	Confident	184 Å²	184	53.3 Å²	53.3	69%	0.694	26%	0.259	S	S	*	.	H	α-helix	trans	-60	-24.6	176.9	-65.2	-176.9	-175.9	165	3	113.5	P234 E238	P234-R236 PolarHBondContact O-N 3.13Å; P234-R236 VanDerWaalsContact O-N 3.11Å; R236-E238 VanDerWaalsContact C-N 3.33Å
237	M	83.6	Confident	83.6	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-72.3	-30.3	174.9	-168.6	172.1	-66.5	0	0	111.6	A201 D202 L205 L228 M233 P234 E235 E239 L240 V241	A201-M237 VanDerWaalsContact C-CE 3.42Å; A201-M237 HydrophobicContact CB-CE 3.75Å; A201-M237 HydrophobicContact CB-SD 4.21Å; D202-M237 HydrophobicContact CB-CE 3.57Å; L205-M237 HydrophobicContact CD1-CB 3.9Å; L205-M237 HydrophobicContact CD1-CE 4.36Å; L205-M237 HydrophobicContact CD1-CG 4.28Å; L228-M237 HydrophobicContact CD1-CG 3.99Å; L228-M237 HydrophobicContact CD1-SD 4.11Å; L228-M237 HydrophobicContact CD2-CG 4.47Å; L228-M237 HydrophobicContact CD2-SD 3.55Å; L228-M237 VanDerWaalsContact CD2-SD 3.55Å; L228-M237 HydrophobicContact CG-SD 4.42Å; M233-M237 HydrophobicContact CE-SD 3.66Å; M233-M237 HydrophobicContact SD-CB 3.97Å; M233-M237 HydrophobicContact SD-CG 3.64Å; M233-M237 HydrophobicContact SD-SD 3.23Å; P234-M237 HydrophobicContact CG-CB 4.24Å; P234-M237 HydrophobicContact CG-CE 4.43Å; P234-M237 WeakPolarHBondContact O-CA 3.24Å; P234-M237 WeakPolarHBondContact O-CB 3.39Å; P234-M237 PolarHBondContact O-N 3.01Å; E235-M237 PolarHBondContact O-N 3.04Å; E235-M237 VanDerWaalsContact O-N 3.13Å; M237-E239 VanDerWaalsContact C-N 3.28Å; M237-E239 PolarHBondContact O-N 3.23Å; M237-L240 WeakPolarHBondContact O-CB 3.45Å; M237-L240 PolarHBondContact O-N 2.75Å; M237-L240 VanDerWaalsContact O-N 3.16Å; M237-V241 VanDerWaalsContact O-CG2 3.31Å; M237-V241 WeakPolarHBondContact O-CG2 3.47Å; M237-V241 PolarHBondContact O-N 3Å
238	E	83.7	Confident	83.3	Confident	68 Å²	68	60.4 Å²	60.4	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-34.4	176.7	-57	-156.5	131.5	0	0	111.9	E235 R236 V241 K242 R250	E235-E238 VanDerWaalsContact O-CB 3.3Å; E235-E238 WeakPolarHBondContact O-CB 3.35Å; E235-E238 PolarHBondContact O-N 3.35Å; R236-E238 VanDerWaalsContact C-N 3.33Å; E238-V241 PolarHBondContact O-N 3.5Å; E238-K242 WeakPolarHBondContact O-CB 3.29Å; E238-K242 VanDerWaalsContact O-CG 3.31Å; E238-K242 WeakPolarHBondContact O-CG 3.22Å; E238-K242 PolarHBondContact O-N 3.29Å; E238-R250 IonicContact OE1-NH1 2.75Å; E238-R250 IonicContact OE1-NH2 2.77Å; E238-R250 PolarHBondContact OE1-NH2 2.84Å
239	E	81.9	Confident	83	Confident	142 Å²	142	60.9 Å²	60.9	66%	0.664	30%	0.301	S	S	*	.	H	α-helix	trans	-62	-44	172.1	-62.8	178.6	177	0	0	111.3	M237 K242 A243	M237-E239 VanDerWaalsContact C-N 3.28Å; M237-E239 PolarHBondContact O-N 3.23Å; E239-K242 PolarHBondContact O-N 3.33Å; E239-A243 PolarHBondContact O-N 2.99Å
240	L	83	Confident	82.9	Confident	16 Å²	16	64.8 Å²	64.8	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-41.3	176.7	-172.9	73.2	0	0	0	111.6	L198 L205 L213 M217 M237 A243 G244	L198-L240 HydrophobicContact CD1-CD2 3.93Å; L205-L240 HydrophobicContact CD1-CD2 4.48Å; L205-L240 HydrophobicContact CD2-CD2 4.25Å; L213-L240 HydrophobicContact CD1-CD1 4.36Å; L213-L240 HydrophobicContact CD1-CD2 4.21Å; M217-L240 HydrophobicContact CE-CD1 3.59Å; M217-L240 HydrophobicContact SD-CD1 4.42Å; M237-L240 WeakPolarHBondContact O-CB 3.45Å; M237-L240 PolarHBondContact O-N 2.75Å; M237-L240 VanDerWaalsContact O-N 3.16Å; L240-A243 PolarHBondContact O-N 3.42Å; L240-G244 PolarHBondContact O-N 2.85Å
241	V	85.4	Confident	82.8	Confident	10 Å²	10	65 Å²	65	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-47.1	175.6	168.9	0	0	0	0	110.6	I62 L228 M237 E238 A243 G244 M245 P248	I62-V241 HydrophobicContact CD1-CB 4.38Å; I62-V241 HydrophobicContact CD1-CG1 3.64Å; I62-V241 HydrophobicContact CD1-CG2 3.73Å; I62-V241 HydrophobicContact CG1-CG2 4.41Å; L228-V241 HydrophobicContact CD1-CG2 3.84Å; M237-V241 VanDerWaalsContact O-CG2 3.31Å; M237-V241 WeakPolarHBondContact O-CG2 3.47Å; M237-V241 PolarHBondContact O-N 3Å; E238-V241 PolarHBondContact O-N 3.5Å; V241-A243 VanDerWaalsContact C-N 3.31Å; V241-A243 PolarHBondContact O-N 3.21Å; V241-G244 PolarHBondContact O-N 2.84Å; V241-M245 HydrophobicContact CB-SD 4.34Å; V241-M245 HydrophobicContact CG1-CB 4.47Å; V241-M245 HydrophobicContact CG1-SD 4.15Å; V241-M245 HydrophobicContact CG2-SD 3.99Å; V241-M245 WeakPolarHBondContact O-CB 3.43Å; V241-M245 PolarHBondContact O-N 3.36Å; V241-P248 HydrophobicContact CG1-CG 3.94Å
242	K	84.3	Confident	82.9	Confident	148 Å²	148	67.9 Å²	67.9	64%	0.643	34%	0.335	S	S	*	.	H	α-helix	trans	-62.5	-36.4	179.3	-74.6	175.6	180	-178.2	0	112.4	E238 E239	E238-K242 WeakPolarHBondContact O-CB 3.29Å; E238-K242 VanDerWaalsContact O-CG 3.31Å; E238-K242 WeakPolarHBondContact O-CG 3.22Å; E238-K242 PolarHBondContact O-N 3.29Å; E239-K242 PolarHBondContact O-N 3.33Å
243	A	82.5	Confident	82.8	Confident	85 Å²	85	68.7 Å²	68.7	70%	0.702	34%	0.339	S	S	*	.	H	α-helix	trans	-79.3	-33.9	179.3	0	0	0	0	0	113.6	E239 L240 V241	E239-A243 PolarHBondContact O-N 2.99Å; L240-A243 PolarHBondContact O-N 3.42Å; V241-A243 VanDerWaalsContact C-N 3.31Å; V241-A243 PolarHBondContact O-N 3.21Å
244	G	82.2	Confident	81.8	Confident	12 Å²	12	67.7 Å²	67.7	12%	0.124	34%	0.341	C	S	.	.	H	α-helix	trans	-108	-15	-166.1	0	0	0	0	0	116.7	L240 V241	L240-G244 PolarHBondContact O-N 2.85Å; V241-G244 PolarHBondContact O-N 2.84Å
245	M	87.4	Confident	80.5	Confident	18 Å²	18	68.3 Å²	68.3	9%	0.089	36%	0.356	C	S	.	.			trans	-128.8	152.9	-168.6	-52.5	178.8	79.9	0	0	112.4	D60 V61 I62 T226 L228 V241 P248	D60-M245 HydrophobicContact CB-CB 4.33Å; D60-M245 HydrophobicContact CB-CE 3.93Å; D60-M245 VanDerWaalsContact OD2-CA 3.23Å; D60-M245 WeakPolarHBondContact OD2-CA 3.37Å; D60-M245 WeakPolarHBondContact OD2-CB 3.46Å; V61-M245 WeakPolarHBondContact O-CE 3.23Å; I62-M245 HydrophobicContact CD1-CE 4.45Å; I62-M245 HydrophobicContact CD1-SD 4.18Å; I62-M245 HydrophobicContact CG1-CE 3.69Å; I62-M245 HydrophobicContact CG1-SD 3.88Å; T226-M245 HydrophobicContact CG2-CE 4.17Å; T226-M245 HydrophobicContact CG2-CG 3.87Å; T226-M245 HydrophobicContact CG2-SD 4.41Å; T226-M245 VanDerWaalsContact O-CE 3.31Å; T226-M245 WeakPolarHBondContact O-CE 3.24Å; L228-M245 HydrophobicContact CB-CE 3.96Å; L228-M245 HydrophobicContact CB-SD 3.96Å; L228-M245 HydrophobicContact CD1-SD 4.25Å; V241-M245 HydrophobicContact CB-SD 4.34Å; V241-M245 HydrophobicContact CG1-CB 4.47Å; V241-M245 HydrophobicContact CG1-SD 4.15Å; V241-M245 HydrophobicContact CG2-SD 3.99Å; V241-M245 WeakPolarHBondContact O-CB 3.43Å; V241-M245 PolarHBondContact O-N 3.36Å; M245-P248 HydrophobicContact CB-CB 4.37Å; M245-P248 HydrophobicContact CB-CG 4.33Å; M245-P248 HydrophobicContact CE-CB 3.92Å; M245-P248 HydrophobicContact SD-CB 4.48Å
246	R	84.4	Confident	78.3	Confident	148 Å²	148	68.5 Å²	68.5	56%	0.558	36%	0.357	S	S	*	.	S	Bend	trans	-119	112.1	-179.9	-65.9	174.6	177.8	-176.1	-7.1	110.4	D60 K222	D60-R246 PolarHBondContact OD2-N 2.98Å; K222-R246 PolarHBondContact O-NH1 3.1Å; K222-R246 PolarHBondContact O-NH2 2.82Å
247	N	82.3	Confident	76.3	Confident	122 Å²	122	66.2 Å²	66.2	65%	0.652	36%	0.355	S	S	*	.	S	Bend	trans	43.3	60.4	-179.9	-169.6	31.8	0	0	0	113.6
248	P	88.2	Confident	74.1	Confident	29 Å²	29	71.5 Å²	71.5	19%	0.188	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-71.8	136.9	-173.1	30.5	-35.7	0	0	0	112.5	D60 I62 V241 M245	D60-P248 HydrophobicContact CB-CB 3.98Å; D60-P248 CarbonylContact O-C 3.52Å; D60-P248 VanDerWaalsContact O-CA 3.3Å; D60-P248 WeakPolarHBondContact O-CA 3.38Å; I62-P248 HydrophobicContact CD1-CB 3.73Å; I62-P248 HydrophobicContact CD1-CG 3.58Å; I62-P248 HydrophobicContact CG1-CB 3.94Å; I62-P248 HydrophobicContact CG1-CG 4.34Å; V241-P248 HydrophobicContact CG1-CG 3.94Å; M245-P248 HydrophobicContact CB-CB 4.37Å; M245-P248 HydrophobicContact CB-CG 4.33Å; M245-P248 HydrophobicContact CE-CB 3.92Å; M245-P248 HydrophobicContact SD-CB 4.48Å
249	S	88.7	Confident	71.9	Confident	11 Å²	11	74.1 Å²	74.1	8%	0.077	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	123.5	168.6	-172.5	0	0	0	0	109.5	D60 V61 I62	D60-S249 PolarHBondContact O-N 3.11Å; V61-S249 CarbonylContact C-O 3.58Å; V61-S249 WeakPolarHBondContact CA-O 3.18Å; I62-S249 PolarHBondContact N-O 3.13Å
250	R	88.4	Confident	69.8	Low	82 Å²	82	72.2 Å²	72.2	31%	0.309	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.7	178.9	-68.5	-176.3	176.8	-160.9	-2.6	110.1	I62 E238	I62-R250 HydrophobicContact CB-CG 4.24Å; I62-R250 HydrophobicContact CD1-CG 4.14Å; E238-R250 IonicContact OE1-NH1 2.75Å; E238-R250 IonicContact OE1-NH2 2.77Å; E238-R250 PolarHBondContact OE1-NH2 2.84Å
251	I	85.5	Confident	67.4	Low	5 Å²	5	75.7 Å²	75.7	3%	0.026	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.4	176.4	-55.7	175.1	0	0	0	107.7	F47 R50 C51 V61 I62 V63 Q64 V253	F47-I251 HydrophobicContact CB-CG2 4.11Å; R50-I251 HydrophobicContact CB-CD1 4.24Å; R50-I251 HydrophobicContact CG-CD1 3.87Å; R50-I251 HydrophobicContact CG-CG1 4.35Å; C51-I251 VanDerWaalsContact CA-CD1 3.48Å; C51-I251 HydrophobicContact CB-CD1 3.91Å; V61-I251 HydrophobicContact CG1-CD1 3.78Å; V61-I251 HydrophobicContact CG1-CG1 4.31Å; I62-I251 PolarHBondContact O-N 2.93Å; V63-I251 WeakPolarHBondContact CA-O 3.03Å; V63-I251 HydrophobicContact CG2-CB 4.42Å; V63-I251 HydrophobicContact CG2-CD1 4.46Å; Q64-I251 PolarHBondContact N-O 3.41Å; I251-V253 HydrophobicContact CG2-CG2 4.38Å
252	V	83	Confident	64.9	Low	62 Å²	62	79.2 Å²	79.2	38%	0.376	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.1	178.7	-176.2	0	0	0	0	108.8	Q64	Q64-V252 HydrophobicContact CB-CG1 4.4Å; Q64-V252 HydrophobicContact CB-CG2 4.33Å; Q64-V252 CarbonylContact O-C 3.54Å
253	V	71.9	Confident	62.4	Low	41 Å²	41	77 Å²	77	25%	0.248	44%	0.442	C	S	.	.			trans	-118.1	98	-176.7	-171.3	0	0	0	0	107.9	F47 Q64 A65 P66 I251	F47-V253 HydrophobicContact CB-CG1 4.44Å; F47-V253 HydrophobicContact CB-CG2 3.3Å; F47-V253 HydrophobicContact CD1-CG1 4.02Å; F47-V253 HydrophobicContact CD1-CG2 3.92Å; F47-V253 HydrophobicContact CD2-CG2 3.79Å; F47-V253 HydrophobicContact CG-CG1 4.34Å; F47-V253 HydrophobicContact CG-CG2 3.4Å; F47-V253 VanDerWaalsContact CG-CG2 3.4Å; Q64-V253 PolarHBondContact O-N 3.32Å; A65-V253 HydrophobicContact CB-CB 3.75Å; A65-V253 HydrophobicContact CB-CG1 4.45Å; A65-V253 HydrophobicContact CB-CG2 3.75Å; P66-V253 VanDerWaalsContact CD-O 3.29Å; P66-V253 WeakPolarHBondContact CD-O 3.48Å; I251-V253 HydrophobicContact CG2-CG2 4.38Å
254	G	58.4	Low	59.8	Low	28 Å²	28	76.8 Å²	76.8	29%	0.289	45%	0.448	S	S	.	.	S	Bend	trans	139.1	112.6	-178.3	0	0	0	0	0	110.9	S276	G254-S276 WeakPolarHBondContact O-CB 3.2Å
255	G	47.7	Very low	57.2	Low	60 Å²	60	85.2 Å²	85.2	62%	0.619	49%	0.485	S	S	*	.	S	Bend	trans	85.6	154.6	-160.6	0	0	0	0	0	111.2	E257	G255-E257 PolarHBondContact O-N 3.13Å
256	E	32.5	Very low	54.4	Low	168 Å²	168	89.6 Å²	89.6	79%	0.785	51%	0.514	S	S	*	.	S	Bend	trans	-36.3	135.1	-178.1	-69.5	178	155.6	0	0	111.9	Q258	E256-Q258 PolarHBondContact O-N 2.84Å
257	E	36.6	Very low	52.1	Low	136 Å²	136	90.6 Å²	90.6	64%	0.636	53%	0.525	S	S	*	.			trans	-56.4	80.4	177.5	-89.1	179.6	160.6	0	0	110.6	S46 G255 L259	S46-E257 WeakPolarHBondContact CB-OE1 3.33Å; S46-E257 PolarHBondContact OG-OE1 3.25Å; G255-E257 PolarHBondContact O-N 3.13Å; E257-L259 PolarHBondContact O-N 3.48Å; E257-L259 VanDerWaalsContact O-N 3.1Å
258	Q	37.7	Very low	49.6	Very low	110 Å²	110	93.9 Å²	93.9	51%	0.514	53%	0.534	S	S	.	.			trans	-81.4	100.6	178.4	-74.7	-168.5	3.4	0	0	108.6	E256 L260	E256-Q258 PolarHBondContact O-N 2.84Å; Q258-L260 PolarHBondContact O-N 3.02Å; Q258-L260 VanDerWaalsContact O-N 3.13Å
259	L	37.3	Very low	47	Very low	124 Å²	124	96.7 Å²	96.7	65%	0.649	56%	0.56	S	S	*	*			trans	-63.1	96.9	168.5	-73.7	152.9	0	0	0	110.1	E257 S261	E257-L259 PolarHBondContact O-N 3.48Å; E257-L259 VanDerWaalsContact O-N 3.1Å; L259-S261 PolarHBondContact O-N 2.92Å
260	L	38.1	Very low	44.5	Very low	102 Å²	102	102.1 Å²	102.1	53%	0.534	58%	0.582	S	S	.	*			trans	-89	83.5	158.5	-75.9	160.7	0	0	0	108.4	Q258 F270	Q258-L260 PolarHBondContact O-N 3.02Å; Q258-L260 VanDerWaalsContact O-N 3.13Å; L260-F270 HydrophobicContact CD1-CE2 4.11Å
261	S	33.5	Very low	41.8	Very low	88 Å²	88	108.9 Å²	108.9	62%	0.615	61%	0.608	S	S	*	*			trans	-74.2	133.5	164.7	45.3	0	0	0	0	109.9	L259 S263	L259-S261 PolarHBondContact O-N 2.92Å; S261-S263 PolarHBondContact O-N 3.41Å
262	S	31.7	Very low	39.3	Very low	84 Å²	84	116 Å²	116	59%	0.587	65%	0.646	S	S	*	*	S	Bend	trans	-55.8	86.5	-179.6	-35.6	0	0	0	0	112.6
263	S	31.8	Very low	37	Very low	102 Å²	102	117.7 Å²	117.7	71%	0.713	65%	0.65	S	S	*	*			trans	-159.9	95.7	162.6	40.4	0	0	0	0	111.2	S261	S261-S263 PolarHBondContact O-N 3.41Å
264	G	28.4	Very low	35.3	Very low	80 Å²	80	120.4 Å²	120.4	83%	0.825	67%	0.668	S	S	*	*	S	Bend	trans	88.5	14.7	130.5	0	0	0	0	0	122.2
265	Q	27.2	Very low	34.5	Very low	190 Å²	190	122.5 Å²	122.5	89%	0.888	68%	0.676	S	S	*	*			trans	-129.1	130	165.6	-71.8	-154	-7.3	0	0	114.4
266	P	30.1	Very low	34.4	Very low	109 Å²	109	121.2 Å²	121.2	71%	0.708	66%	0.658	S	S	*	*			trans	-82.8	129.6	-173.4	33.4	-34.7	0	0	0	113.4	K268	P266-K268 VanDerWaalsContact C-N 3.35Å; P266-K268 PolarHBondContact O-N 2.64Å
267	E	34.8	Very low	35.3	Very low	169 Å²	169	119.3 Å²	119.3	79%	0.79	65%	0.649	S	S	*	*	S	Bend	trans	53	-1.1	135.9	-63	-168.4	153.2	0	0	122.8
268	K	31	Very low	36.4	Very low	191 Å²	191	113.8 Å²	113.8	83%	0.83	62%	0.624	S	S	*	*	S	Bend	trans	-104.7	-15.4	-177.4	-75.7	-173.7	178.5	179.5	0	117.7	P266	P266-K268 VanDerWaalsContact C-N 3.35Å; P266-K268 PolarHBondContact O-N 2.64Å
269	A	32.2	Very low	37.6	Very low	89 Å²	89	109.6 Å²	109.6	74%	0.736	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-3.1	-175.5	0	0	0	0	0	115.3
270	F	36.3	Very low	38.9	Very low	125 Å²	125	104.9 Å²	104.9	55%	0.548	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	-2.7	-171	-131.8	-94.5	0	0	0	114.9	L260	L260-F270 HydrophobicContact CD1-CE2 4.11Å
271	R	32.7	Very low	40.2	Very low	224 Å²	224	110.2 Å²	110.2	85%	0.845	60%	0.603	S	S	*	*	S	Bend	trans	-85.9	-18.5	-176.7	-78.2	-175	174.3	179.5	-1.4	114.7
272	D	33.2	Very low	42.4	Very low	154 Å²	154	107.7 Å²	107.7	82%	0.824	59%	0.585	S	S	*	*	S	Bend	trans	-113.9	6.6	-171.2	-63.7	-34.6	0	0	0	114.4
273	Q	34.7	Very low	44.9	Very low	98 Å²	98	104.4 Å²	104.4	46%	0.458	56%	0.56	S	S	.	*	S	Bend	trans	-87.7	130.3	171.8	-73.5	-169.8	-3.5	0	0	110.9
274	P	36.2	Very low	47.7	Very low	97 Å²	97	105.4 Å²	105.4	63%	0.63	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-61.4	139.1	176.3	25.3	-32.1	0	0	0	109.6	S276	P274-S276 PolarHBondContact O-N 2.84Å; P274-S276 VanDerWaalsContact O-N 3.1Å
275	P	41.2	Very low	50.7	Low	72 Å²	72	102.4 Å²	102.4	47%	0.468	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-55.2	122.3	178.8	18.2	-27.3	0	0	0	109.4	S428	P275-S428 VanDerWaalsContact CG-O 3.28Å; P275-S428 WeakPolarHBondContact CG-O 3.35Å
276	S	45.3	Very low	53.9	Low	33 Å²	33	95 Å²	95	23%	0.231	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-48.2	144.4	-177.4	44.4	0	0	0	0	112.4	G254 P274 T278	G254-S276 WeakPolarHBondContact O-CB 3.2Å; P274-S276 PolarHBondContact O-N 2.84Å; P274-S276 VanDerWaalsContact O-N 3.1Å; S276-T278 VanDerWaalsContact C-N 3.31Å; S276-T278 PolarHBondContact O-N 3.1Å
277	E	52.1	Low	57.1	Low	128 Å²	128	91.4 Å²	91.4	60%	0.598	45%	0.454	S	S	*	.			trans	-56.5	89.7	178.6	-68.4	-177.6	165.2	0	0	110.6	V279	E277-V279 PolarHBondContact O-N 3.31Å
278	T	58.1	Low	60	Low	20 Å²	20	83.4 Å²	83.4	12%	0.123	42%	0.416	C	S	.	.			trans	-78.9	-2.1	-178.4	36.4	0	0	0	0	112.6	A231 S276	A231-T278 WeakPolarHBondContact O-CG2 3.49Å; S276-T278 VanDerWaalsContact C-N 3.31Å; S276-T278 PolarHBondContact O-N 3.1Å
279	V	63.7	Low	63.1	Low	23 Å²	23	75.7 Å²	75.7	14%	0.139	39%	0.385	C	S	.	.	S	Bend	trans	-105.4	133.4	-174.5	-173.7	0	0	0	0	110.8	E277 L283 M285 V395 V431	E277-V279 PolarHBondContact O-N 3.31Å; V279-L283 HydrophobicContact CG1-CB 3.92Å; V279-L283 HydrophobicContact CG1-CD2 3.36Å; V279-L283 HydrophobicContact CG1-CG 4.04Å; V279-M285 HydrophobicContact CB-CE 4.37Å; V279-M285 HydrophobicContact CG1-CE 3.82Å; V279-M285 HydrophobicContact CG1-SD 4.16Å; V279-M285 HydrophobicContact CG2-CE 4.27Å; V279-M285 HydrophobicContact CG2-SD 4.47Å; V279-V395 HydrophobicContact CG2-CG1 4.05Å; V279-V395 HydrophobicContact CG2-CG2 4.06Å; V279-V431 HydrophobicContact CG2-CG1 3.49Å; V279-V431 VanDerWaalsContact CG2-CG1 3.49Å
280	P	64.5	Low	66.2	Low	25 Å²	25	71.5 Å²	71.5	16%	0.162	35%	0.35	C	S	.	.			trans	-56.8	138.2	175.6	-24	32.9	0	0	0	113.1	S282 L283 A402	P280-S282 VanDerWaalsContact C-N 3.25Å; P280-S282 PolarHBondContact O-N 3.21Å; P280-L283 VanDerWaalsContact O-CB 3.26Å; P280-L283 WeakPolarHBondContact O-CB 3.33Å; P280-L283 PolarHBondContact O-N 2.95Å; P280-A402 HydrophobicContact CB-CB 4.27Å; P280-A402 WeakPolarHBondContact CB-O 3.46Å
281	F	66.5	Low	69	Low	214 Å²	214	68.3 Å²	68.3	94%	0.939	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.9	-177.5	-176.2	-97.7	0	0	0	114.2	L283	F281-L283 VanDerWaalsContact C-N 3.26Å; F281-L283 PolarHBondContact O-N 3.3Å
282	S	79.4	Confident	71.9	Confident	34 Å²	34	57.9 Å²	57.9	24%	0.238	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.4	-179.8	60.3	0	0	0	0	114.4	P280 A402 K406 G408	P280-S282 VanDerWaalsContact C-N 3.25Å; P280-S282 PolarHBondContact O-N 3.21Å; S282-A402 WeakPolarHBondContact OG-CB 3.48Å; S282-K406 WeakPolarHBondContact CB-O 3.45Å; S282-K406 PolarHBondContact OG-O 2.89Å; S282-G408 PolarHBondContact O-N 3.04Å
283	L	83.9	Confident	74.9	Confident	15 Å²	15	53.2 Å²	53.2	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.6	-178.2	-174.8	52.6	0	0	0	112.3	V279 P280 F281 M285 C398 T401 A402 G408 A410	V279-L283 HydrophobicContact CG1-CB 3.92Å; V279-L283 HydrophobicContact CG1-CD2 3.36Å; V279-L283 HydrophobicContact CG1-CG 4.04Å; P280-L283 VanDerWaalsContact O-CB 3.26Å; P280-L283 WeakPolarHBondContact O-CB 3.33Å; P280-L283 PolarHBondContact O-N 2.95Å; F281-L283 VanDerWaalsContact C-N 3.26Å; F281-L283 PolarHBondContact O-N 3.3Å; L283-M285 HydrophobicContact CD2-CG 4.27Å; L283-M285 HydrophobicContact CD2-SD 4.49Å; L283-M285 HydrophobicContact CG-CG 4.07Å; L283-C398 HydrophobicContact CD2-CB 3.69Å; L283-T401 HydrophobicContact CD1-CG2 3.43Å; L283-T401 VanDerWaalsContact CD1-CG2 3.43Å; L283-A402 HydrophobicContact CB-CB 3.71Å; L283-A402 HydrophobicContact CD1-CB 4Å; L283-A402 HydrophobicContact CG-CB 4.38Å; L283-G408 WeakPolarHBondContact CD1-O 3.29Å; L283-A410 HydrophobicContact CD1-CB 4.31Å
284	K	89.6	Confident	77.8	Confident	123 Å²	123	48.6 Å²	48.6	54%	0.535	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.1	170.4	-63.7	180	-176.8	174.9	0	110.1	Y286 G408 N409 A410	K284-Y286 HydrophobicContact CB-CE2 3.67Å; K284-G408 PolarHBondContact N-O 3.36Å; K284-N409 CarbonylContact O-C 3.56Å; K284-N409 VanDerWaalsContact O-CA 3.32Å; K284-N409 WeakPolarHBondContact O-CA 3.08Å; K284-A410 PolarHBondContact O-N 3.47Å
285	M	91.6	Very high	80.6	Confident	17 Å²	17	44 Å²	44	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.4	179.5	-66.8	177.2	-77.7	0	0	111.2	V279 L283 F394 A410 V431 L433 R434	V279-M285 HydrophobicContact CB-CE 4.37Å; V279-M285 HydrophobicContact CG1-CE 3.82Å; V279-M285 HydrophobicContact CG1-SD 4.16Å; V279-M285 HydrophobicContact CG2-CE 4.27Å; V279-M285 HydrophobicContact CG2-SD 4.47Å; L283-M285 HydrophobicContact CD2-CG 4.27Å; L283-M285 HydrophobicContact CD2-SD 4.49Å; L283-M285 HydrophobicContact CG-CG 4.07Å; M285-F394 HydrophobicContact SD-CE1 3.94Å; M285-F394 HydrophobicContact SD-CZ 4.44Å; M285-A410 CarbonylContact C-O 3.58Å; M285-A410 HydrophobicContact CG-CB 4.31Å; M285-V431 HydrophobicContact CE-CB 3.6Å; M285-V431 HydrophobicContact CE-CG1 3.76Å; M285-V431 HydrophobicContact SD-CB 4.12Å; M285-V431 HydrophobicContact SD-CG1 4.18Å; M285-L433 HydrophobicContact CB-CG 4.21Å; M285-L433 WeakPolarHBondContact O-CA 3.22Å; M285-R434 PolarHBondContact O-N 3.49Å
286	Y	95.1	Very high	83.3	Confident	36 Å²	36	40.6 Å²	40.6	14%	0.141	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152	-177.7	-56.1	-85.1	0	0	0	111.2	K284 W381 N409 A410 L411 I412 R434 L436	K284-Y286 HydrophobicContact CB-CE2 3.67Å; Y286-W381 HydrophobicContact CD2-CH2 4.06Å; Y286-W381 AromaticContact CD2-CZ3 3.92Å; Y286-W381 HydrophobicContact CD2-CZ3 3.92Å; Y286-W381 AromaticContact CE2-CH2 3.97Å; Y286-W381 HydrophobicContact CE2-CH2 3.97Å; Y286-W381 HydrophobicContact CE2-CZ3 4.22Å; Y286-N409 HydrophobicContact CE2-CB 4.15Å; Y286-A410 PolarHBondContact N-O 3.45Å; Y286-L411 WeakPolarHBondContact O-CA 3.37Å; Y286-I412 PolarHBondContact O-N 3.29Å; Y286-R434 CarbonylContact C-O 3.52Å; Y286-R434 WeakPolarHBondContact CA-O 3.32Å; Y286-R434 HydrophobicContact CD1-CB 3.81Å; Y286-R434 HydrophobicContact CE1-CB 4.14Å; Y286-L436 HydrophobicContact CD1-CD1 3.72Å; Y286-L436 HydrophobicContact CD1-CD2 3.77Å; Y286-L436 HydrophobicContact CD1-CG 3.55Å; Y286-L436 HydrophobicContact CD2-CD1 4.25Å; Y286-L436 HydrophobicContact CE1-CD1 4.47Å; Y286-L436 HydrophobicContact CE1-CD2 4.13Å; Y286-L436 HydrophobicContact CE1-CG 4.37Å; Y286-L436 HydrophobicContact CG-CD1 3.58Å; Y286-L436 HydrophobicContact CG-CD2 4.49Å; Y286-L436 HydrophobicContact CG-CG 3.87Å
287	Y	96.3	Very high	85.7	Confident	33 Å²	33	39.7 Å²	39.7	13%	0.129	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.8	167.3	75.4	-78.3	0	0	0	110.2	V289 I412 L414 E419 A422 L433 R434 R435 L436	Y287-V289 HydrophobicContact CD2-CG2 3.96Å; Y287-V289 HydrophobicContact CE2-CG2 3.79Å; Y287-I412 CarbonylContact C-O 3.58Å; Y287-I412 VanDerWaalsContact CA-O 3.31Å; Y287-I412 WeakPolarHBondContact CA-O 3.16Å; Y287-L414 HydrophobicContact CD2-CD1 4.01Å; Y287-L414 HydrophobicContact CG-CD1 4.43Å; Y287-E419 HydrophobicContact CE2-CG 4.46Å; Y287-A422 HydrophobicContact CD1-CB 4.25Å; Y287-A422 HydrophobicContact CD2-CB 4.24Å; Y287-A422 HydrophobicContact CE1-CB 4.36Å; Y287-A422 HydrophobicContact CE2-CB 4.33Å; Y287-A422 HydrophobicContact CG-CB 4.18Å; Y287-L433 HydrophobicContact CD1-CB 3.81Å; Y287-L433 HydrophobicContact CE1-CB 4.48Å; Y287-R434 PolarHBondContact N-O 3.47Å; Y287-R435 HydrophobicContact CD1-CB 4.31Å; Y287-R435 HydrophobicContact CD2-CG 4.46Å; Y287-R435 HydrophobicContact CE1-CB 3.61Å; Y287-R435 HydrophobicContact CE1-CG 4.18Å; Y287-R435 HydrophobicContact CE2-CB 4.22Å; Y287-R435 HydrophobicContact CE2-CG 3.86Å; Y287-R435 CarbonylContact O-C 3.49Å; Y287-R435 WeakPolarHBondContact O-CA 3.49Å; Y287-L436 PolarHBondContact O-N 3.35Å
288	A	96.9	Very high	87.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.1	171.6	0	0	0	0	0	109.6	V290 L411 I412 L413 L414 L436 I438	A288-V290 HydrophobicContact CB-CG2 4.34Å; A288-L411 HydrophobicContact CB-CD1 4.07Å; A288-I412 PolarHBondContact N-O 3.03Å; A288-L413 HydrophobicContact CB-CD2 3.96Å; A288-L414 PolarHBondContact O-N 3.46Å; A288-L436 WeakPolarHBondContact CB-O 3.41Å; A288-I438 HydrophobicContact CB-CD1 3.68Å; A288-I438 HydrophobicContact CB-CG1 3.93Å
289	V	96.3	Very high	89.8	Confident	29 Å²	29	32.6 Å²	32.6	18%	0.176	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.1	175.9	-176.4	0	0	0	0	108.4	Y287 L414 P416 E419	Y287-V289 HydrophobicContact CD2-CG2 3.96Å; Y287-V289 HydrophobicContact CE2-CG2 3.79Å; V289-L414 CarbonylContact C-O 3.56Å; V289-L414 WeakPolarHBondContact CA-O 3.21Å; V289-P416 HydrophobicContact CG1-CB 4.47Å; V289-P416 HydrophobicContact CG1-CG 4.24Å; V289-E419 HydrophobicContact CG2-CB 4.2Å; V289-E419 HydrophobicContact CG2-CG 3.87Å
290	V	95.9	Very high	91.3	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	16%	0.156	C	C	.	.			trans	-134.8	131.4	-172.8	-177.5	0	0	0	0	109.2	A288 A294 A298 L414 M415	A288-V290 HydrophobicContact CB-CG2 4.34Å; V290-A294 HydrophobicContact CG1-CB 3.52Å; V290-A298 HydrophobicContact CB-CB 4.33Å; V290-A298 HydrophobicContact CG1-CB 3.76Å; V290-A298 HydrophobicContact CG2-CB 3.74Å; V290-L414 PolarHBondContact N-O 3.31Å; V290-M415 WeakPolarHBondContact O-CA 3.41Å
291	P	95.4	Very high	92.8	Very high	58 Å²	58	34.1 Å²	34.1	38%	0.377	16%	0.164	S	C	.	.			trans	-53.4	147.4	173.7	-26.1	34.4	0	0	0	112.4	Q293 A294 K295	P291-Q293 VanDerWaalsContact C-N 3.28Å; P291-Q293 VanDerWaalsContact CB-OE1 3.32Å; P291-Q293 PolarHBondContact O-N 3.42Å; P291-Q293 VanDerWaalsContact O-N 3.15Å; P291-A294 HydrophobicContact CB-CB 4.35Å; P291-A294 WeakPolarHBondContact O-CA 3.48Å; P291-A294 WeakPolarHBondContact O-CB 3.46Å; P291-A294 PolarHBondContact O-N 2.98Å; P291-K295 PolarHBondContact O-N 3.13Å
292	A	94.9	Very high	94.3	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.033	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-53.9	-42.2	-172	0	0	0	0	0	113	A294 K295 M415 D492 N495 L496 C499	A292-A294 VanDerWaalsContact C-N 3.3Å; A292-A294 PolarHBondContact O-N 3.25Å; A292-K295 WeakPolarHBondContact O-CB 3.24Å; A292-K295 PolarHBondContact O-N 2.97Å; A292-M415 HydrophobicContact CB-CG 4.4Å; A292-M415 HydrophobicContact CB-SD 3.73Å; A292-D492 HydrophobicContact CB-CB 4.28Å; A292-N495 HydrophobicContact CB-CB 3.88Å; A292-L496 HydrophobicContact CB-CB 4.31Å; A292-C499 WeakPolarHBondContact O-CB 3.28Å
293	Q	94.7	Very high	95.1	Very high	57 Å²	57	23 Å²	23	27%	0.266	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-66.8	-26.6	177.5	69	-80.4	28.4	0	0	113.9	P291 C445 N495	P291-Q293 VanDerWaalsContact C-N 3.28Å; P291-Q293 VanDerWaalsContact CB-OE1 3.32Å; P291-Q293 PolarHBondContact O-N 3.42Å; P291-Q293 VanDerWaalsContact O-N 3.15Å; Q293-C445 HydrophobicContact CG-CB 4.49Å; Q293-N495 VanDerWaalsContact CA-O 3.28Å; Q293-N495 WeakPolarHBondContact CA-O 3.11Å; Q293-N495 HydrophobicContact CB-CB 3.97Å; Q293-N495 PolarHBondContact N-O 2.88Å
294	A	95.8	Very high	95.6	Very high	1 Å²	1	28 Å²	28	1%	0.008	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-91.8	-9.8	-178	0	0	0	0	0	112.9	V290 P291 A292 F296 L297 A298 C440 C445	V290-A294 HydrophobicContact CG1-CB 3.52Å; P291-A294 HydrophobicContact CB-CB 4.35Å; P291-A294 WeakPolarHBondContact O-CA 3.48Å; P291-A294 WeakPolarHBondContact O-CB 3.46Å; P291-A294 PolarHBondContact O-N 2.98Å; A292-A294 VanDerWaalsContact C-N 3.3Å; A292-A294 PolarHBondContact O-N 3.25Å; A294-F296 PolarHBondContact O-N 3.27Å; A294-L297 CarbonylContact O-C 3.6Å; A294-L297 WeakPolarHBondContact O-CA 3.35Å; A294-L297 WeakPolarHBondContact O-CB 3.29Å; A294-L297 PolarHBondContact O-N 3.19Å; A294-A298 PolarHBondContact O-N 3.2Å; A294-C440 HydrophobicContact CB-CB 3.7Å; A294-C445 VanDerWaalsContact CB-SG 3.54Å
295	K	95.8	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.9	-48	-169.9	-157.3	171.8	-170.1	-177.3	0	113.3	P291 A292 A298 L299 F385 D386 L413 M415 E418	P291-K295 PolarHBondContact O-N 3.13Å; A292-K295 WeakPolarHBondContact O-CB 3.24Å; A292-K295 PolarHBondContact O-N 2.97Å; K295-A298 PolarHBondContact O-N 3.15Å; K295-L299 PolarHBondContact O-N 2.9Å; K295-L299 VanDerWaalsContact O-N 3.16Å; K295-F385 HydrophobicContact CB-CE2 4.29Å; K295-F385 HydrophobicContact CB-CZ 4.02Å; K295-F385 HydrophobicContact CD-CE1 4.17Å; K295-F385 HydrophobicContact CD-CE2 4.47Å; K295-F385 HydrophobicContact CD-CZ 4.02Å; K295-F385 WeakPolarHBondContact CE-O 3.17Å; K295-F385 HydrophobicContact CG-CE1 4.36Å; K295-F385 HydrophobicContact CG-CE2 3.81Å; K295-F385 HydrophobicContact CG-CZ 3.72Å; K295-F385 PolarHBondContact NZ-O 3.16Å; K295-F385 VanDerWaalsContact NZ-O 3.15Å; K295-D386 WeakPolarHBondContact CE-OD1 3.15Å; K295-D386 IonicContact NZ-OD1 3.61Å; K295-D386 PolarHBondContact NZ-OD1 3.49Å; K295-L413 WeakPolarHBondContact CE-O 3.25Å; K295-L413 PolarHBondContact NZ-O 3.01Å; K295-M415 HydrophobicContact CD-CG 3.98Å; K295-M415 HydrophobicContact CD-SD 4.31Å; K295-E418 IonicContact NZ-OE2 2.95Å; K295-E418 PolarHBondContact NZ-OE2 2.96Å
296	F	97.1	Very high	96	Very high	1 Å²	1	31 Å²	31	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-70.1	-34.5	176.1	-173.8	-116.5	0	0	0	113.1	A294 L299 V300 F324 Y327 L328 F385 M448 L452 C499	A294-F296 PolarHBondContact O-N 3.27Å; F296-L299 HydrophobicContact CD2-CD2 4.16Å; F296-L299 HydrophobicContact CE2-CD2 4.18Å; F296-L299 PolarHBondContact O-N 3.36Å; F296-V300 HydrophobicContact CD1-CG2 4.26Å; F296-V300 HydrophobicContact CE1-CG2 3.86Å; F296-V300 HydrophobicContact CE2-CG2 4.15Å; F296-V300 HydrophobicContact CZ-CG2 3.8Å; F296-V300 WeakPolarHBondContact O-CG2 3.3Å; F296-V300 PolarHBondContact O-N 3.3Å; F296-F324 HydrophobicContact CB-CE1 4.03Å; F296-F324 HydrophobicContact CD1-CD1 4.08Å; F296-F324 HydrophobicContact CD1-CE1 4.15Å; F296-F324 HydrophobicContact CD2-CB 4.31Å; F296-F324 AromaticContact CD2-CD1 3.27Å; F296-F324 HydrophobicContact CD2-CD1 3.27Å; F296-F324 AromaticContact CD2-CE1 3.65Å; F296-F324 HydrophobicContact CD2-CE1 3.65Å; F296-F324 AromaticContact CD2-CG 3.9Å; F296-F324 HydrophobicContact CD2-CG 3.9Å; F296-F324 HydrophobicContact CE1-CD1 4.08Å; F296-F324 HydrophobicContact CE2-CB 3.7Å; F296-F324 AromaticContact CE2-CD1 3.29Å; F296-F324 HydrophobicContact CE2-CD1 3.29Å; F296-F324 HydrophobicContact CE2-CE1 4.13Å; F296-F324 AromaticContact CE2-CG 3.77Å; F296-F324 HydrophobicContact CE2-CG 3.77Å; F296-F324 AromaticContact CG-CD1 3.69Å; F296-F324 HydrophobicContact CG-CD1 3.69Å; F296-F324 AromaticContact CG-CE1 3.66Å; F296-F324 HydrophobicContact CG-CE1 3.66Å; F296-F324 HydrophobicContact CZ-CB 4.29Å; F296-F324 AromaticContact CZ-CD1 3.7Å; F296-F324 HydrophobicContact CZ-CD1 3.7Å; F296-F324 HydrophobicContact CZ-CG 4.42Å; F296-Y327 AromaticContact CE1-CD1 3.51Å; F296-Y327 HydrophobicContact CE1-CD1 3.51Å; F296-Y327 HydrophobicContact CE1-CD2 4.33Å; F296-Y327 AromaticContact CE1-CE1 3.79Å; F296-Y327 HydrophobicContact CE1-CE1 3.79Å; F296-Y327 AromaticContact CE1-CG 3.81Å; F296-Y327 HydrophobicContact CE1-CG 3.81Å; F296-Y327 AromaticContact CZ-CD1 3.45Å; F296-Y327 HydrophobicContact CZ-CD1 3.45Å; F296-Y327 VanDerWaalsContact CZ-CD1 3.45Å; F296-Y327 HydrophobicContact CZ-CE1 4.11Å; F296-Y327 AromaticContact CZ-CG 3.84Å; F296-Y327 HydrophobicContact CZ-CG 3.84Å; F296-L328 HydrophobicContact CE2-CD2 4.25Å; F296-L328 HydrophobicContact CE2-CG 4.34Å; F296-L328 HydrophobicContact CZ-CD2 4.17Å; F296-L328 HydrophobicContact CZ-CG 4.33Å; F296-F385 HydrophobicContact CB-CE2 4.39Å; F296-F385 HydrophobicContact CB-CZ 4.37Å; F296-F385 HydrophobicContact CD2-CE2 4.45Å; F296-M448 HydrophobicContact CD1-CG 4.47Å; F296-M448 HydrophobicContact CD1-SD 4.18Å; F296-M448 HydrophobicContact CE1-SD 4.32Å; F296-L452 HydrophobicContact CD1-CD1 4.06Å; F296-L452 HydrophobicContact CD1-CD2 4.4Å; F296-L452 HydrophobicContact CE1-CD2 4.09Å; F296-C499 WeakPolarHBondContact CB-SG 3.12Å; F296-C499 PolarHBondContact N-SG 2.96Å
297	L	97.1	Very high	95.8	Very high	13 Å²	13	34 Å²	34	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-43.7	173.3	173.5	66.1	0	0	0	111.2	A294 L299 V300 K301 C440 L444 M448	A294-L297 CarbonylContact O-C 3.6Å; A294-L297 WeakPolarHBondContact O-CA 3.35Å; A294-L297 WeakPolarHBondContact O-CB 3.29Å; A294-L297 PolarHBondContact O-N 3.19Å; L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 2.94Å; L297-V300 PolarHBondContact O-N 2.86Å; L297-K301 HydrophobicContact CD1-CD 4.38Å; L297-K301 HydrophobicContact CD1-CG 4.11Å; L297-K301 HydrophobicContact CG-CD 4.3Å; L297-K301 HydrophobicContact CG-CG 4.37Å; L297-K301 WeakPolarHBondContact O-CB 3.41Å; L297-K301 WeakPolarHBondContact O-CG 3.46Å; L297-K301 PolarHBondContact O-N 2.77Å; L297-C440 HydrophobicContact CD2-CB 4.05Å; L297-L444 HydrophobicContact CD2-CB 3.66Å; L297-M448 HydrophobicContact CB-CB 4.42Å; L297-M448 HydrophobicContact CB-CE 4.46Å; L297-M448 HydrophobicContact CB-CG 4.31Å; L297-M448 HydrophobicContact CD1-CB 4.42Å; L297-M448 HydrophobicContact CD1-CE 3.76Å
298	A	97.3	Very high	95.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-44.5	176.8	0	0	0	0	0	111.4	V290 A294 K295 K301 F302 I438	V290-A298 HydrophobicContact CB-CB 4.33Å; V290-A298 HydrophobicContact CG1-CB 3.76Å; V290-A298 HydrophobicContact CG2-CB 3.74Å; A294-A298 PolarHBondContact O-N 3.2Å; K295-A298 PolarHBondContact O-N 3.15Å; A298-K301 PolarHBondContact O-N 2.79Å; A298-F302 VanDerWaalsContact O-CB 3.3Å; A298-F302 WeakPolarHBondContact O-CB 3.32Å; A298-F302 PolarHBondContact O-N 3.45Å; A298-I438 HydrophobicContact CB-CB 4.45Å; A298-I438 HydrophobicContact CB-CG2 3.81Å
299	L	97.4	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-50.4	173	-178.4	68	0	0	0	111.4	K295 F296 L297 K301 F302 L303 V313 F315 L328 V383 F385 L413	K295-L299 PolarHBondContact O-N 2.9Å; K295-L299 VanDerWaalsContact O-N 3.16Å; F296-L299 HydrophobicContact CD2-CD2 4.16Å; F296-L299 HydrophobicContact CE2-CD2 4.18Å; F296-L299 PolarHBondContact O-N 3.36Å; L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 2.94Å; L299-K301 PolarHBondContact O-N 2.98Å; L299-F302 WeakPolarHBondContact O-CB 3.17Å; L299-F302 PolarHBondContact O-N 2.77Å; L299-L303 HydrophobicContact CD1-CD1 4.11Å; L299-L303 HydrophobicContact CD1-CG 4.2Å; L299-L303 HydrophobicContact CD2-CD1 4.46Å; L299-L303 HydrophobicContact CG-CD1 3.9Å; L299-L303 HydrophobicContact CG-CG 4.34Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 VanDerWaalsContact O-CG 3.27Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3.34Å; L299-V313 HydrophobicContact CD1-CG1 3.98Å; L299-V313 HydrophobicContact CD2-CG1 4.26Å; L299-F315 HydrophobicContact CD2-CE2 4.45Å; L299-F315 HydrophobicContact CD2-CZ 3.79Å; L299-L328 HydrophobicContact CD2-CD1 4.33Å; L299-V383 HydrophobicContact CD1-CG1 3.65Å; L299-F385 HydrophobicContact CB-CD2 4.22Å; L299-F385 HydrophobicContact CB-CE2 4.26Å; L299-F385 HydrophobicContact CD2-CD2 3.85Å; L299-F385 HydrophobicContact CD2-CE2 4.27Å; L299-F385 HydrophobicContact CG-CD2 4.48Å; L299-L413 HydrophobicContact CB-CD1 3.98Å; L299-L413 HydrophobicContact CD1-CD1 4.45Å
300	V	96.6	Very high	95.4	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-42.2	-179.9	172.7	0	0	0	0	111.6	F296 L297 L303 K304 Y327 L328 M448	F296-V300 HydrophobicContact CD1-CG2 4.26Å; F296-V300 HydrophobicContact CE1-CG2 3.86Å; F296-V300 HydrophobicContact CE2-CG2 4.15Å; F296-V300 HydrophobicContact CZ-CG2 3.8Å; F296-V300 WeakPolarHBondContact O-CG2 3.3Å; F296-V300 PolarHBondContact O-N 3.3Å; L297-V300 PolarHBondContact O-N 2.86Å; V300-L303 PolarHBondContact O-N 3.23Å; V300-K304 HydrophobicContact CG1-CD 4.27Å; V300-K304 HydrophobicContact CG1-CG 4.5Å; V300-K304 WeakPolarHBondContact O-CB 3.04Å; V300-K304 VanDerWaalsContact O-CG 3.32Å; V300-K304 WeakPolarHBondContact O-CG 3.44Å; V300-K304 PolarHBondContact O-N 3.03Å; V300-Y327 HydrophobicContact CG2-CE1 4.2Å; V300-L328 HydrophobicContact CG2-CD2 3.9Å; V300-M448 HydrophobicContact CB-CE 4.09Å; V300-M448 HydrophobicContact CG1-CE 4.15Å; V300-M448 HydrophobicContact CG2-CE 4.02Å
301	K	95.7	Very high	95.3	Very high	76 Å²	76	37.3 Å²	37.3	33%	0.33	18%	0.181	S	C	.	.	H	α-helix	trans	-62	-44.7	176.2	-75.8	-171.1	68.9	167.9	0	111.3	L297 A298 L299 K304 K305 Q439	L297-K301 HydrophobicContact CD1-CD 4.38Å; L297-K301 HydrophobicContact CD1-CG 4.11Å; L297-K301 HydrophobicContact CG-CD 4.3Å; L297-K301 HydrophobicContact CG-CG 4.37Å; L297-K301 WeakPolarHBondContact O-CB 3.41Å; L297-K301 WeakPolarHBondContact O-CG 3.46Å; L297-K301 PolarHBondContact O-N 2.77Å; A298-K301 PolarHBondContact O-N 2.79Å; L299-K301 PolarHBondContact O-N 2.98Å; K301-K304 PolarHBondContact O-N 3.47Å; K301-K305 PolarHBondContact O-N 3.24Å; K301-Q439 PolarHBondContact NZ-O 3.5Å
302	F	96.7	Very high	95.2	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.066	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-52.4	176.9	-176.7	-91.3	0	0	0	111	A298 L299 K304 K305 H306 W381 V383 L411 I438	A298-F302 VanDerWaalsContact O-CB 3.3Å; A298-F302 WeakPolarHBondContact O-CB 3.32Å; A298-F302 PolarHBondContact O-N 3.45Å; L299-F302 WeakPolarHBondContact O-CB 3.17Å; L299-F302 PolarHBondContact O-N 2.77Å; F302-K304 VanDerWaalsContact C-N 3.3Å; F302-K304 PolarHBondContact O-N 3Å; F302-K305 PolarHBondContact O-N 2.86Å; F302-K305 VanDerWaalsContact O-N 3.1Å; F302-H306 AromaticContact CD2-CD2 3.95Å; F302-H306 AromaticContact CE1-CD2 3.85Å; F302-H306 AromaticContact CE2-CD2 3.55Å; F302-H306 AromaticContact CE2-NE2 3.66Å; F302-H306 AromaticContact CZ-CD2 3.48Å; F302-H306 VanDerWaalsContact CZ-CD2 3.48Å; F302-H306 WeakPolarHBondContact CZ-CD2 3.13Å; F302-H306 AromaticContact CZ-NE2 3.87Å; F302-H306 PolarHBondContact O-CD2 3.47Å; F302-H306 VanDerWaalsContact O-CD2 3.31Å; F302-H306 PolarHBondContact O-N 3.49Å; F302-W381 HydrophobicContact CE1-CD2 4.3Å; F302-W381 HydrophobicContact CE1-CE3 4.27Å; F302-W381 HydrophobicContact CE1-CG 4.48Å; F302-W381 HydrophobicContact CE2-CE3 4.31Å; F302-W381 HydrophobicContact CE2-CH2 4.29Å; F302-W381 HydrophobicContact CE2-CZ3 4.11Å; F302-W381 AromaticContact CZ-CD2 3.62Å; F302-W381 HydrophobicContact CZ-CD2 3.62Å; F302-W381 AromaticContact CZ-CE3 3.45Å; F302-W381 HydrophobicContact CZ-CE3 3.45Å; F302-W381 VanDerWaalsContact CZ-CE3 3.45Å; F302-W381 HydrophobicContact CZ-CG 4.23Å; F302-W381 HydrophobicContact CZ-CH2 4.11Å; F302-W381 HydrophobicContact CZ-CZ2 4.28Å; F302-W381 AromaticContact CZ-CZ3 3.7Å; F302-W381 HydrophobicContact CZ-CZ3 3.7Å; F302-V383 HydrophobicContact CD1-CG2 3.81Å; F302-V383 HydrophobicContact CE1-CG2 3.38Å; F302-V383 HydrophobicContact CZ-CG2 4.25Å; F302-L411 HydrophobicContact CD1-CD2 4.24Å; F302-L411 HydrophobicContact CD2-CD2 3.44Å; F302-L411 VanDerWaalsContact CD2-CD2 3.44Å; F302-L411 HydrophobicContact CE1-CD2 4.27Å; F302-L411 HydrophobicContact CE2-CD2 3.46Å; F302-L411 VanDerWaalsContact CE2-CD2 3.46Å; F302-L411 HydrophobicContact CG-CD2 3.86Å; F302-L411 HydrophobicContact CZ-CD2 3.91Å; F302-I438 HydrophobicContact CD2-CD1 4.4Å
303	L	96.6	Very high	95.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-35.1	179.9	-67	177.4	0	0	0	112.8	L299 V300 H306 K307 I311 V313 L328 F332 M363	L299-L303 HydrophobicContact CD1-CD1 4.11Å; L299-L303 HydrophobicContact CD1-CG 4.2Å; L299-L303 HydrophobicContact CD2-CD1 4.46Å; L299-L303 HydrophobicContact CG-CD1 3.9Å; L299-L303 HydrophobicContact CG-CG 4.34Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 VanDerWaalsContact O-CG 3.27Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3.34Å; V300-L303 PolarHBondContact O-N 3.23Å; L303-H306 CarbonylContact O-C 3.58Å; L303-H306 PolarHBondContact O-N 2.95Å; L303-K307 PolarHBondContact O-N 3.18Å; L303-K307 VanDerWaalsContact O-N 3.15Å; L303-I311 HydrophobicContact CD2-CD1 3.75Å; L303-I311 HydrophobicContact CD2-CG2 3.92Å; L303-V313 HydrophobicContact CD2-CG2 3.96Å; L303-L328 HydrophobicContact CD1-CD1 3.93Å; L303-L328 HydrophobicContact CD1-CD2 3.76Å; L303-L328 HydrophobicContact CD1-CG 4.47Å; L303-F332 HydrophobicContact CB-CE1 4.28Å; L303-F332 HydrophobicContact CB-CE2 4.11Å; L303-F332 HydrophobicContact CB-CZ 3.57Å; L303-F332 HydrophobicContact CD1-CE2 4.49Å; L303-M363 HydrophobicContact CB-CE 3.74Å; L303-M363 HydrophobicContact CB-SD 4.14Å; L303-M363 HydrophobicContact CD1-SD 4.12Å; L303-M363 HydrophobicContact CD2-CE 4.06Å; L303-M363 HydrophobicContact CD2-SD 3.99Å; L303-M363 HydrophobicContact CG-CE 4.37Å; L303-M363 HydrophobicContact CG-SD 4.3Å; L303-M363 WeakPolarHBondContact O-CE 3.48Å
304	K	95	Very high	95.3	Very high	121 Å²	121	31.7 Å²	31.7	53%	0.526	15%	0.149	S	C	.	.	H	α-helix	trans	-64.4	-37.8	174.4	-78.4	-177.6	177.3	-169.7	0	113.2	V300 K301 F302 H306 F332	V300-K304 HydrophobicContact CG1-CD 4.27Å; V300-K304 HydrophobicContact CG1-CG 4.5Å; V300-K304 WeakPolarHBondContact O-CB 3.04Å; V300-K304 VanDerWaalsContact O-CG 3.32Å; V300-K304 WeakPolarHBondContact O-CG 3.44Å; V300-K304 PolarHBondContact O-N 3.03Å; K301-K304 PolarHBondContact O-N 3.47Å; F302-K304 VanDerWaalsContact C-N 3.3Å; F302-K304 PolarHBondContact O-N 3Å; K304-H306 VanDerWaalsContact C-N 3.3Å; K304-F332 HydrophobicContact CG-CE1 3.82Å; K304-F332 HydrophobicContact CG-CZ 3.69Å
305	K	94.8	Very high	95.2	Very high	171 Å²	171	31.7 Å²	31.7	74%	0.743	15%	0.149	S	C	*	.	H	α-helix	trans	-70.5	-28.8	177.9	-171.2	178.6	178.8	-177.7	0	112.1	K301 F302	K301-K305 PolarHBondContact O-N 3.24Å; F302-K305 PolarHBondContact O-N 2.86Å; F302-K305 VanDerWaalsContact O-N 3.1Å
306	H	94.4	Very high	95	Very high	30 Å²	30	32.3 Å²	32.3	14%	0.139	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	29	-175.1	-65.2	-74.2	0	0	0	113.1	F302 L303 K304 T308 N309 I311 W381	F302-H306 AromaticContact CD2-CD2 3.95Å; F302-H306 AromaticContact CE1-CD2 3.85Å; F302-H306 AromaticContact CE2-CD2 3.55Å; F302-H306 AromaticContact CE2-NE2 3.66Å; F302-H306 AromaticContact CZ-CD2 3.48Å; F302-H306 VanDerWaalsContact CZ-CD2 3.48Å; F302-H306 WeakPolarHBondContact CZ-CD2 3.13Å; F302-H306 AromaticContact CZ-NE2 3.87Å; F302-H306 PolarHBondContact O-CD2 3.47Å; F302-H306 VanDerWaalsContact O-CD2 3.31Å; F302-H306 PolarHBondContact O-N 3.49Å; L303-H306 CarbonylContact O-C 3.58Å; L303-H306 PolarHBondContact O-N 2.95Å; K304-H306 VanDerWaalsContact C-N 3.3Å; H306-T308 PolarHBondContact O-N 2.75Å; H306-T308 VanDerWaalsContact O-N 3.13Å; H306-N309 HydrophobicContact CB-CB 4.37Å; H306-N309 PolarHBondContact ND1-OD1 2.86Å; H306-N309 WeakPolarHBondContact O-CB 3.34Å; H306-N309 PolarHBondContact O-N 2.94Å; H306-I311 HydrophobicContact CB-CD1 3.7Å; H306-I311 WeakPolarHBondContact O-CD1 3.44Å; H306-W381 AromaticContact CE1-CE2 3.97Å; H306-W381 AromaticContact CE1-CZ2 3.9Å; H306-W381 AromaticContact CE1-NE1 3.82Å; H306-W381 AromaticContact ND1-NE1 3.54Å
307	K	91.6	Very high	94.8	Very high	99 Å²	99	33 Å²	33	43%	0.43	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.9	-172.9	63.3	178.2	180	171.8	0	115.2	L303 T336	L303-K307 PolarHBondContact O-N 3.18Å; L303-K307 VanDerWaalsContact O-N 3.15Å; K307-T336 WeakPolarHBondContact O-CB 3.13Å; K307-T336 PolarHBondContact O-OG1 3.09Å
308	T	91.9	Very high	94.6	Very high	93 Å²	93	33.9 Å²	33.9	57%	0.571	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	3.7	178.4	58.2	0	0	0	0	112.9	H306 E361	H306-T308 PolarHBondContact O-N 2.75Å; H306-T308 VanDerWaalsContact O-N 3.13Å; T308-E361 WeakPolarHBondContact CA-OE2 3.31Å
309	N	93.2	Very high	94.5	Very high	36 Å²	36	38.2 Å²	38.2	19%	0.193	18%	0.179	C	C	.	.	S	Bend	trans	-96.1	158.4	178.3	-71.9	110.5	0	0	0	111.2	H306 I311 G362 D380	H306-N309 HydrophobicContact CB-CB 4.37Å; H306-N309 PolarHBondContact ND1-OD1 2.86Å; H306-N309 WeakPolarHBondContact O-CB 3.34Å; H306-N309 PolarHBondContact O-N 2.94Å; N309-I311 HydrophobicContact CB-CD1 4.33Å; N309-I311 HydrophobicContact CB-CG1 3.94Å; N309-G362 PolarHBondContact O-N 3.26Å; N309-D380 VanDerWaalsContact CA-OD2 3.22Å; N309-D380 WeakPolarHBondContact CA-OD2 3.3Å; N309-D380 HydrophobicContact CB-CB 3.97Å; N309-D380 VanDerWaalsContact CB-OD2 3.29Å; N309-D380 WeakPolarHBondContact CB-OD2 3.47Å; N309-D380 VanDerWaalsContact ND2-CG 3.31Å; N309-D380 PolarHBondContact ND2-OD2 3.4Å
310	K	94.4	Very high	94.4	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.022	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.3	165.1	-163.1	173.8	-171.1	170.9	0	109.7	F356 Q357 L359 G362 A377 D378 D380 W381	K310-F356 HydrophobicContact CD-CZ 4.38Å; K310-F356 WeakPolarHBondContact CE-O 3.46Å; K310-F356 HydrophobicContact CG-CE2 3.98Å; K310-F356 HydrophobicContact CG-CZ 3.74Å; K310-F356 PolarHBondContact NZ-O 2.78Å; K310-Q357 PolarHBondContact NZ-O 2.94Å; K310-Q357 VanDerWaalsContact NZ-O 3.08Å; K310-L359 WeakPolarHBondContact CD-O 3.46Å; K310-L359 WeakPolarHBondContact CE-O 3.28Å; K310-L359 PolarHBondContact NZ-O 3.11Å; K310-G362 CarbonylContact C-O 3.46Å; K310-G362 WeakPolarHBondContact CA-O 3.31Å; K310-A377 PolarHBondContact NZ-O 2.72Å; K310-D378 WeakPolarHBondContact CB-O 3.42Å; K310-D378 VanDerWaalsContact CD-O 3.31Å; K310-D378 WeakPolarHBondContact CD-O 3.33Å; K310-D380 PolarHBondContact N-OD2 2.9Å; K310-D380 PolarHBondContact O-N 3.14Å; K310-W381 PolarHBondContact O-N 3.38Å
311	I	94.8	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.5	-171	-48.7	-173.5	0	0	0	111.1	L303 H306 N309 V313 G362 M363 L364 W381 V383	L303-I311 HydrophobicContact CD2-CD1 3.75Å; L303-I311 HydrophobicContact CD2-CG2 3.92Å; H306-I311 HydrophobicContact CB-CD1 3.7Å; H306-I311 WeakPolarHBondContact O-CD1 3.44Å; N309-I311 HydrophobicContact CB-CD1 4.33Å; N309-I311 HydrophobicContact CB-CG1 3.94Å; I311-V313 HydrophobicContact CG2-CG2 3.87Å; I311-G362 PolarHBondContact N-O 2.92Å; I311-M363 HydrophobicContact CB-CG 4.3Å; I311-M363 HydrophobicContact CD1-CE 4.23Å; I311-M363 CarbonylContact O-C 3.56Å; I311-M363 WeakPolarHBondContact O-CA 3.35Å; I311-L364 PolarHBondContact O-N 3.5Å; I311-W381 CarbonylContact C-O 3.53Å; I311-W381 WeakPolarHBondContact CA-O 3.26Å; I311-W381 HydrophobicContact CB-CB 4.47Å; I311-W381 HydrophobicContact CG1-CB 4.16Å; I311-W381 HydrophobicContact CG2-CB 4.05Å; I311-V383 HydrophobicContact CG2-CG2 3.84Å
312	L	94	Very high	94.3	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.2	171	-173	59.7	0	0	0	109.9	F314 L364 T366 I376 I379 W381 V382 V383 R400	L312-F314 HydrophobicContact CD1-CZ 4.25Å; L312-F314 HydrophobicContact CD2-CE2 3.73Å; L312-F314 HydrophobicContact CD2-CZ 3.39Å; L312-F314 HydrophobicContact CG-CE1 4.44Å; L312-F314 HydrophobicContact CG-CE2 3.68Å; L312-F314 HydrophobicContact CG-CZ 3.52Å; L312-L364 HydrophobicContact CD1-CB 3.71Å; L312-L364 HydrophobicContact CD1-CD2 3.63Å; L312-L364 HydrophobicContact CD1-CG 3.7Å; L312-T366 HydrophobicContact CD1-CG2 3.68Å; L312-T366 HydrophobicContact CG-CG2 4.46Å; L312-I376 HydrophobicContact CD2-CD1 4.18Å; L312-I379 HydrophobicContact CB-CD1 4.16Å; L312-I379 HydrophobicContact CB-CG2 4.19Å; L312-I379 HydrophobicContact CD2-CD1 3.74Å; L312-W381 PolarHBondContact N-O 2.78Å; L312-V382 HydrophobicContact CB-CG2 4.42Å; L312-V382 CarbonylContact O-C 3.56Å; L312-V382 WeakPolarHBondContact O-CA 3.39Å; L312-V383 PolarHBondContact O-N 2.91Å; L312-R400 HydrophobicContact CD2-CB 3.84Å; L312-R400 HydrophobicContact CD2-CG 3.85Å
313	V	95.4	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.9	-177.1	-172.8	0	0	0	0	110.9	L299 L303 I311 F315 L364 I365 T366 V383	L299-V313 HydrophobicContact CD1-CG1 3.98Å; L299-V313 HydrophobicContact CD2-CG1 4.26Å; L303-V313 HydrophobicContact CD2-CG2 3.96Å; I311-V313 HydrophobicContact CG2-CG2 3.87Å; V313-F315 HydrophobicContact CG1-CD2 4.42Å; V313-F315 HydrophobicContact CG1-CE2 3.89Å; V313-L364 PolarHBondContact N-O 3.24Å; V313-I365 HydrophobicContact CB-CD1 3.59Å; V313-I365 HydrophobicContact CG1-CD1 4.28Å; V313-I365 HydrophobicContact CG2-CD1 3.61Å; V313-T366 PolarHBondContact O-N 2.85Å; V313-V383 CarbonylContact C-O 3.59Å; V313-V383 VanDerWaalsContact CA-O 3.26Å; V313-V383 WeakPolarHBondContact CA-O 3.26Å; V313-V383 HydrophobicContact CG1-CB 4.48Å; V313-V383 HydrophobicContact CG2-CB 4.31Å
314	F	94.9	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.1	179.4	-71	-71.4	0	0	0	113.6	L312 T366 T371 V382 V383 Q384 F385 R397	L312-F314 HydrophobicContact CD1-CZ 4.25Å; L312-F314 HydrophobicContact CD2-CE2 3.73Å; L312-F314 HydrophobicContact CD2-CZ 3.39Å; L312-F314 HydrophobicContact CG-CE1 4.44Å; L312-F314 HydrophobicContact CG-CE2 3.68Å; L312-F314 HydrophobicContact CG-CZ 3.52Å; F314-T366 WeakPolarHBondContact CA-O 3.46Å; F314-T366 HydrophobicContact CD1-CG2 3.89Å; F314-T366 HydrophobicContact CE1-CG2 3.42Å; F314-T366 VanDerWaalsContact CE1-CG2 3.42Å; F314-T366 HydrophobicContact CZ-CG2 4.09Å; F314-T371 HydrophobicContact CD1-CG2 4.14Å; F314-T371 HydrophobicContact CE1-CG2 3.06Å; F314-T371 HydrophobicContact CE2-CG2 3.82Å; F314-T371 HydrophobicContact CZ-CG2 2.89Å; F314-V382 HydrophobicContact CD2-CG1 3.86Å; F314-V382 HydrophobicContact CE2-CG1 3.66Å; F314-V383 PolarHBondContact N-O 2.86Å; F314-Q384 HydrophobicContact CB-CG 4.41Å; F314-Q384 HydrophobicContact CD2-CG 4.2Å; F314-F385 WeakPolarHBondContact O-CB 3.47Å; F314-F385 PolarHBondContact O-N 2.65Å; F314-R397 HydrophobicContact CD1-CG 4.28Å; F314-R397 HydrophobicContact CD2-CB 4.02Å; F314-R397 HydrophobicContact CD2-CG 3.89Å; F314-R397 HydrophobicContact CE1-CG 4.43Å; F314-R397 HydrophobicContact CE2-CB 3.96Å; F314-R397 HydrophobicContact CE2-CG 4Å; F314-R397 HydrophobicContact CG-CG 4.05Å; F314-R397 HydrophobicContact CZ-CG 4.33Å
315	F	95	Very high	94.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.			trans	-120.5	148.3	163.2	-70.6	-87.2	0	0	0	110.6	L299 V313 T317 C320 V321 F324 I365 T366 T367 F385	L299-F315 HydrophobicContact CD2-CE2 4.45Å; L299-F315 HydrophobicContact CD2-CZ 3.79Å; V313-F315 HydrophobicContact CG1-CD2 4.42Å; V313-F315 HydrophobicContact CG1-CE2 3.89Å; F315-T317 VanDerWaalsContact C-N 3.29Å; F315-T317 PolarHBondContact O-N 3.22Å; F315-C320 HydrophobicContact CB-CB 3.94Å; F315-C320 HydrophobicContact CD1-CB 3.75Å; F315-C320 HydrophobicContact CG-CB 4.04Å; F315-V321 HydrophobicContact CB-CG2 3.85Å; F315-V321 HydrophobicContact CD2-CG2 4.2Å; F315-V321 HydrophobicContact CG-CG2 4.4Å; F315-F324 HydrophobicContact CD1-CD2 4.03Å; F315-F324 HydrophobicContact CE1-CB 4.13Å; F315-F324 AromaticContact CE1-CD2 3.36Å; F315-F324 HydrophobicContact CE1-CD2 3.36Å; F315-F324 HydrophobicContact CE1-CE2 4.02Å; F315-F324 HydrophobicContact CE1-CG 4.01Å; F315-F324 HydrophobicContact CE2-CB 4.36Å; F315-F324 HydrophobicContact CZ-CB 3.72Å; F315-F324 AromaticContact CZ-CD2 3.88Å; F315-F324 HydrophobicContact CZ-CD2 3.88Å; F315-F324 HydrophobicContact CZ-CG 4.07Å; F315-I365 HydrophobicContact CD2-CG2 3.55Å; F315-I365 HydrophobicContact CE2-CG2 3.45Å; F315-I365 VanDerWaalsContact CE2-CG2 3.45Å; F315-T366 PolarHBondContact N-O 2.93Å; F315-T367 WeakPolarHBondContact O-CA 3.48Å; F315-F385 HydrophobicContact CD1-CB 3.78Å; F315-F385 AromaticContact CD1-CD1 3.68Å; F315-F385 HydrophobicContact CD1-CD1 3.68Å; F315-F385 AromaticContact CD1-CG 3.84Å; F315-F385 HydrophobicContact CD1-CG 3.84Å; F315-F385 HydrophobicContact CE1-CB 3.65Å; F315-F385 AromaticContact CE1-CD1 3.41Å; F315-F385 HydrophobicContact CE1-CD1 3.41Å; F315-F385 VanDerWaalsContact CE1-CD1 3.41Å; F315-F385 AromaticContact CE1-CD2 3.92Å; F315-F385 HydrophobicContact CE1-CD2 3.92Å; F315-F385 HydrophobicContact CE1-CE1 4.01Å; F315-F385 HydrophobicContact CE1-CE2 4.44Å; F315-F385 AromaticContact CE1-CG 3.36Å; F315-F385 HydrophobicContact CE1-CG 3.36Å; F315-F385 HydrophobicContact CE1-CZ 4.48Å; F315-F385 HydrophobicContact CG-CB 4.42Å; F315-F385 HydrophobicContact CZ-CB 4.17Å; F315-F385 HydrophobicContact CZ-CD1 4.49Å; F315-F385 HydrophobicContact CZ-CD2 4.3Å; F315-F385 HydrophobicContact CZ-CG 4.07Å
316	N	91.6	Very high	94.4	Very high	14 Å²	14	23.3 Å²	23.3	8%	0.075	12%	0.119	C	C	.	.	S	Bend	trans	-73.3	-17.2	-179.5	-75.2	-14.5	0	0	0	114.3	P387 R397 A476	N316-P387 PolarHBondContact ND2-O 3.2Å; N316-R397 PolarHBondContact OD1-NH2 3.26Å; N316-A476 HydrophobicContact CB-CB 4.25Å
317	T	92.5	Very high	94.5	Very high	14 Å²	14	22.8 Å²	22.8	9%	0.086	12%	0.116	C	C	.	.	S	Bend	trans	-134.6	146.9	-178.6	75.5	0	0	0	0	113.2	F315 R319 C320 V321 T367 G472 A476	F315-T317 VanDerWaalsContact C-N 3.29Å; F315-T317 PolarHBondContact O-N 3.22Å; T317-R319 PolarHBondContact O-N 2.79Å; T317-C320 PolarHBondContact O-N 2.75Å; T317-C320 VanDerWaalsContact O-N 3.16Å; T317-C320 WeakPolarHBondContact OG1-CB 3.47Å; T317-C320 PolarHBondContact OG1-N 2.79Å; T317-C320 PolarHBondContact OG1-SG 3.42Å; T317-V321 PolarHBondContact O-N 3.47Å; T317-V321 VanDerWaalsContact O-N 3.17Å; T317-T367 VanDerWaalsContact C-CG2 3.49Å; T317-G472 WeakPolarHBondContact CG2-O 3.46Å; T317-A476 HydrophobicContact CG2-CB 3.62Å
318	C	93	Very high	94.7	Very high	32 Å²	32	18.1 Å²	18.1	22%	0.216	10%	0.096	C	C	.	.	H	α-helix	trans	-55.7	-38.2	175	-66	0	0	0	0	111.9	C320 V321 D322 H342	C318-C320 PolarHBondContact O-N 2.97Å; C318-V321 WeakPolarHBondContact O-CB 3.37Å; C318-V321 PolarHBondContact O-N 3.22Å; C318-D322 PolarHBondContact O-N 3.24Å; C318-H342 HydrophobicContact CB-CB 4.2Å; C318-H342 WeakPolarHBondContact CB-ND1 3.35Å; C318-H342 PolarHBondContact SG-ND1 2.8Å
319	R	94.1	Very high	94.9	Very high	91 Å²	91	18.3 Å²	18.3	34%	0.343	9%	0.09	S	C	.	.	H	α-helix	trans	-69	-34	-178.1	-63.6	176.9	174.4	164.7	5.8	112.3	T317 D322 Y323 K468 A469	T317-R319 PolarHBondContact O-N 2.79Å; R319-D322 PolarHBondContact O-N 3.21Å; R319-Y323 VanDerWaalsContact O-CB 3.25Å; R319-Y323 WeakPolarHBondContact O-CB 3.15Å; R319-Y323 PolarHBondContact O-N 3.17Å; R319-K468 WeakPolarHBondContact CD-O 3.33Å; R319-K468 PolarHBondContact NH1-O 3.46Å; R319-K468 VanDerWaalsContact NH1-O 3.15Å; R319-A469 HydrophobicContact CB-CB 4.05Å; R319-A469 WeakPolarHBondContact O-CB 3.32Å
320	C	96.1	Very high	94.9	Very high	1 Å²	1	23 Å²	23	1%	0.007	11%	0.109	C	C	.	.	H	α-helix	trans	-67.2	-40.8	172	-70	0	0	0	0	111.2	F315 T317 C318 Y323 F324	F315-C320 HydrophobicContact CB-CB 3.94Å; F315-C320 HydrophobicContact CD1-CB 3.75Å; F315-C320 HydrophobicContact CG-CB 4.04Å; T317-C320 PolarHBondContact O-N 2.75Å; T317-C320 VanDerWaalsContact O-N 3.16Å; T317-C320 WeakPolarHBondContact OG1-CB 3.47Å; T317-C320 PolarHBondContact OG1-N 2.79Å; T317-C320 PolarHBondContact OG1-SG 3.42Å; C318-C320 PolarHBondContact O-N 2.97Å; C320-Y323 PolarHBondContact O-N 3.14Å; C320-F324 HydrophobicContact CB-CD2 4.17Å; C320-F324 HydrophobicContact CB-CE2 4.46Å; C320-F324 WeakPolarHBondContact O-CB 3.16Å; C320-F324 PolarHBondContact O-N 3.03Å
321	V	95.2	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.3	-49	172.6	173.4	0	0	0	0	110.7	F315 T317 C318 G325 L340 I365 T367	F315-V321 HydrophobicContact CB-CG2 3.85Å; F315-V321 HydrophobicContact CD2-CG2 4.2Å; F315-V321 HydrophobicContact CG-CG2 4.4Å; T317-V321 PolarHBondContact O-N 3.47Å; T317-V321 VanDerWaalsContact O-N 3.17Å; C318-V321 WeakPolarHBondContact O-CB 3.37Å; C318-V321 PolarHBondContact O-N 3.22Å; V321-G325 WeakPolarHBondContact O-CA 3.43Å; V321-G325 PolarHBondContact O-N 3.1Å; V321-L340 HydrophobicContact CG1-CB 4.35Å; V321-I365 HydrophobicContact CG1-CB 4.48Å; V321-I365 HydrophobicContact CG1-CG2 4.12Å; V321-I365 WeakPolarHBondContact CG1-O 3.48Å; V321-I365 HydrophobicContact CG2-CG2 4.45Å; V321-T367 HydrophobicContact CG2-CG2 3.57Å
322	D	94.9	Very high	95	Very high	40 Å²	40	25.4 Å²	25.4	21%	0.214	12%	0.124	C	C	.	.	H	α-helix	trans	-64.1	-46.6	178.8	-69.3	-37.1	0	0	0	111.8	C318 R319 S326 H342 L465	C318-D322 PolarHBondContact O-N 3.24Å; R319-D322 PolarHBondContact O-N 3.21Å; D322-S326 VanDerWaalsContact O-CB 3.24Å; D322-S326 WeakPolarHBondContact O-CB 3.49Å; D322-S326 PolarHBondContact O-N 2.79Å; D322-S326 PolarHBondContact O-OG 2.86Å; D322-H342 IonicContact OD1-CD2 3.89Å; D322-H342 IonicContact OD1-CE1 2.94Å; D322-H342 IonicContact OD1-NE2 3.63Å; D322-H342 PolarHBondContact OD1-NE2 3.16Å; D322-H342 IonicContact OD2-CE1 3.28Å; D322-H342 IonicContact OD2-NE2 2.79Å; D322-L465 HydrophobicContact CB-CD1 3.9Å; D322-L465 HydrophobicContact CB-CD2 4.06Å; D322-L465 HydrophobicContact CB-CG 4.46Å
323	Y	96.8	Very high	94.8	Very high	8 Å²	8	33.5 Å²	33.5	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-62.5	-176.6	-179.5	-114	0	0	0	112.4	R319 C320 S326 Y327 I462 L465 A469 F500	R319-Y323 VanDerWaalsContact O-CB 3.25Å; R319-Y323 WeakPolarHBondContact O-CB 3.15Å; R319-Y323 PolarHBondContact O-N 3.17Å; C320-Y323 PolarHBondContact O-N 3.14Å; Y323-S326 PolarHBondContact O-N 2.83Å; Y323-S326 PolarHBondContact O-OG 2.94Å; Y323-Y327 PolarHBondContact O-N 2.64Å; Y323-I462 HydrophobicContact CE2-CG2 4.03Å; Y323-L465 HydrophobicContact CD2-CB 4.47Å; Y323-L465 HydrophobicContact CD2-CG 4.25Å; Y323-A469 HydrophobicContact CD1-CB 4.39Å; Y323-A469 HydrophobicContact CG-CB 4.16Å; Y323-F500 HydrophobicContact CD1-CD1 4.17Å; Y323-F500 HydrophobicContact CE1-CD1 4.19Å; Y323-F500 PolarHBondContact OH-O 2.93Å
324	F	97.3	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.1	-35	-178.5	-67.8	-60.1	0	0	0	111.4	F296 F315 C320 S326 Y327 L328 F385 F500	F296-F324 HydrophobicContact CB-CE1 4.03Å; F296-F324 HydrophobicContact CD1-CD1 4.08Å; F296-F324 HydrophobicContact CD1-CE1 4.15Å; F296-F324 HydrophobicContact CD2-CB 4.31Å; F296-F324 AromaticContact CD2-CD1 3.27Å; F296-F324 HydrophobicContact CD2-CD1 3.27Å; F296-F324 AromaticContact CD2-CE1 3.65Å; F296-F324 HydrophobicContact CD2-CE1 3.65Å; F296-F324 AromaticContact CD2-CG 3.9Å; F296-F324 HydrophobicContact CD2-CG 3.9Å; F296-F324 HydrophobicContact CE1-CD1 4.08Å; F296-F324 HydrophobicContact CE2-CB 3.7Å; F296-F324 AromaticContact CE2-CD1 3.29Å; F296-F324 HydrophobicContact CE2-CD1 3.29Å; F296-F324 HydrophobicContact CE2-CE1 4.13Å; F296-F324 AromaticContact CE2-CG 3.77Å; F296-F324 HydrophobicContact CE2-CG 3.77Å; F296-F324 AromaticContact CG-CD1 3.69Å; F296-F324 HydrophobicContact CG-CD1 3.69Å; F296-F324 AromaticContact CG-CE1 3.66Å; F296-F324 HydrophobicContact CG-CE1 3.66Å; F296-F324 HydrophobicContact CZ-CB 4.29Å; F296-F324 AromaticContact CZ-CD1 3.7Å; F296-F324 HydrophobicContact CZ-CD1 3.7Å; F296-F324 HydrophobicContact CZ-CG 4.42Å; F315-F324 HydrophobicContact CD1-CD2 4.03Å; F315-F324 HydrophobicContact CE1-CB 4.13Å; F315-F324 AromaticContact CE1-CD2 3.36Å; F315-F324 HydrophobicContact CE1-CD2 3.36Å; F315-F324 HydrophobicContact CE1-CE2 4.02Å; F315-F324 HydrophobicContact CE1-CG 4.01Å; F315-F324 HydrophobicContact CE2-CB 4.36Å; F315-F324 HydrophobicContact CZ-CB 3.72Å; F315-F324 AromaticContact CZ-CD2 3.88Å; F315-F324 HydrophobicContact CZ-CD2 3.88Å; F315-F324 HydrophobicContact CZ-CG 4.07Å; C320-F324 HydrophobicContact CB-CD2 4.17Å; C320-F324 HydrophobicContact CB-CE2 4.46Å; C320-F324 WeakPolarHBondContact O-CB 3.16Å; C320-F324 PolarHBondContact O-N 3.03Å; F324-S326 PolarHBondContact O-N 2.62Å; F324-Y327 WeakPolarHBondContact O-CA 3.48Å; F324-Y327 WeakPolarHBondContact O-CB 3.4Å; F324-Y327 PolarHBondContact O-N 2.7Å; F324-L328 WeakPolarHBondContact O-CG 3.42Å; F324-L328 PolarHBondContact O-N 2.93Å; F324-F385 HydrophobicContact CE2-CE1 4.27Å; F324-F500 HydrophobicContact CE2-CD1 4.21Å; F324-F500 AromaticContact CE2-CE1 3.65Å; F324-F500 HydrophobicContact CE2-CE1 3.65Å; F324-F500 HydrophobicContact CE2-CE2 4.3Å; F324-F500 AromaticContact CE2-CZ 3.72Å; F324-F500 HydrophobicContact CE2-CZ 3.72Å; F324-F500 AromaticContact CZ-CD1 3.88Å; F324-F500 HydrophobicContact CZ-CD1 3.88Å; F324-F500 HydrophobicContact CZ-CD2 4.14Å; F324-F500 AromaticContact CZ-CE1 3.77Å; F324-F500 HydrophobicContact CZ-CE1 3.77Å; F324-F500 HydrophobicContact CZ-CE2 4.06Å; F324-F500 HydrophobicContact CZ-CG 4.07Å; F324-F500 AromaticContact CZ-CZ 3.87Å; F324-F500 HydrophobicContact CZ-CZ 3.87Å
325	G	96.2	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-44.8	174.4	0	0	0	0	0	112.8	V321 Y327 L328 E329	V321-G325 WeakPolarHBondContact O-CA 3.43Å; V321-G325 PolarHBondContact O-N 3.1Å; G325-Y327 PolarHBondContact O-N 2.62Å; G325-Y327 VanDerWaalsContact O-N 3.12Å; G325-L328 PolarHBondContact O-N 3.34Å; G325-L328 VanDerWaalsContact O-N 3.13Å; G325-E329 WeakPolarHBondContact O-CB 3.35Å; G325-E329 PolarHBondContact O-N 2.87Å
326	S	94.7	Very high	94.2	Very high	24 Å²	24	44.6 Å²	44.6	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-23	173.8	79.4	0	0	0	0	112.9	D322 Y323 F324 K330 R455	D322-S326 VanDerWaalsContact O-CB 3.24Å; D322-S326 WeakPolarHBondContact O-CB 3.49Å; D322-S326 PolarHBondContact O-N 2.79Å; D322-S326 PolarHBondContact O-OG 2.86Å; Y323-S326 PolarHBondContact O-N 2.83Å; Y323-S326 PolarHBondContact O-OG 2.94Å; F324-S326 PolarHBondContact O-N 2.62Å; S326-K330 WeakPolarHBondContact O-CG 3.48Å; S326-R455 VanDerWaalsContact C-NH2 3.33Å; S326-R455 PolarHBondContact O-NH2 3Å; S326-R455 PolarHBondContact OG-NH2 3.41Å
327	Y	96.4	Very high	94.3	Very high	20 Å²	20	45.9 Å²	45.9	8%	0.078	23%	0.234	C	C	.	.	H	α-helix	trans	-78.5	-49.2	173.3	-175.7	-76.9	0	0	0	111.9	F296 V300 Y323 F324 G325 K330 T331 M448 L452 R455	F296-Y327 AromaticContact CE1-CD1 3.51Å; F296-Y327 HydrophobicContact CE1-CD1 3.51Å; F296-Y327 HydrophobicContact CE1-CD2 4.33Å; F296-Y327 AromaticContact CE1-CE1 3.79Å; F296-Y327 HydrophobicContact CE1-CE1 3.79Å; F296-Y327 AromaticContact CE1-CG 3.81Å; F296-Y327 HydrophobicContact CE1-CG 3.81Å; F296-Y327 AromaticContact CZ-CD1 3.45Å; F296-Y327 HydrophobicContact CZ-CD1 3.45Å; F296-Y327 VanDerWaalsContact CZ-CD1 3.45Å; F296-Y327 HydrophobicContact CZ-CE1 4.11Å; F296-Y327 AromaticContact CZ-CG 3.84Å; F296-Y327 HydrophobicContact CZ-CG 3.84Å; V300-Y327 HydrophobicContact CG2-CE1 4.2Å; Y323-Y327 PolarHBondContact O-N 2.64Å; F324-Y327 WeakPolarHBondContact O-CA 3.48Å; F324-Y327 WeakPolarHBondContact O-CB 3.4Å; F324-Y327 PolarHBondContact O-N 2.7Å; G325-Y327 PolarHBondContact O-N 2.62Å; G325-Y327 VanDerWaalsContact O-N 3.12Å; Y327-K330 PolarHBondContact O-N 3.31Å; Y327-T331 WeakPolarHBondContact CD1-OG1 3.41Å; Y327-T331 HydrophobicContact CE1-CG2 4.4Å; Y327-T331 WeakPolarHBondContact CE1-OG1 3.42Å; Y327-T331 WeakPolarHBondContact O-CB 3.47Å; Y327-T331 PolarHBondContact O-N 3.19Å; Y327-T331 PolarHBondContact O-OG1 3.37Å; Y327-M448 HydrophobicContact CE1-SD 4.43Å; Y327-M448 HydrophobicContact CE2-SD 4.47Å; Y327-M448 PolarHBondContact OH-SD 3.17Å; Y327-M448 VanDerWaalsContact OH-SD 3.36Å; Y327-L452 HydrophobicContact CD2-CD2 3.44Å; Y327-L452 VanDerWaalsContact CD2-CD2 3.44Å; Y327-L452 HydrophobicContact CE2-CD2 3.64Å; Y327-L452 HydrophobicContact CE2-CG 4.48Å; Y327-L452 HydrophobicContact CG-CD2 4.23Å; Y327-R455 VanDerWaalsContact CA-NH1 3.29Å
328	L	96.7	Very high	94.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-46.6	-179.6	-64.5	173.4	0	0	0	110.9	F296 L299 V300 L303 F324 G325 K330 T331 F332 V338 I365	F296-L328 HydrophobicContact CE2-CD2 4.25Å; F296-L328 HydrophobicContact CE2-CG 4.34Å; F296-L328 HydrophobicContact CZ-CD2 4.17Å; F296-L328 HydrophobicContact CZ-CG 4.33Å; L299-L328 HydrophobicContact CD2-CD1 4.33Å; V300-L328 HydrophobicContact CG2-CD2 3.9Å; L303-L328 HydrophobicContact CD1-CD1 3.93Å; L303-L328 HydrophobicContact CD1-CD2 3.76Å; L303-L328 HydrophobicContact CD1-CG 4.47Å; F324-L328 WeakPolarHBondContact O-CG 3.42Å; F324-L328 PolarHBondContact O-N 2.93Å; G325-L328 PolarHBondContact O-N 3.34Å; G325-L328 VanDerWaalsContact O-N 3.13Å; L328-K330 VanDerWaalsContact C-N 3.33Å; L328-K330 PolarHBondContact O-N 3.1Å; L328-T331 PolarHBondContact O-N 3.19Å; L328-F332 HydrophobicContact CB-CD2 4.32Å; L328-F332 HydrophobicContact CD2-CD2 4.24Å; L328-F332 HydrophobicContact CD2-CE2 3.77Å; L328-F332 WeakPolarHBondContact O-CB 3.39Å; L328-F332 VanDerWaalsContact O-CD2 3.31Å; L328-F332 WeakPolarHBondContact O-CD2 3.39Å; L328-F332 PolarHBondContact O-N 3.31Å; L328-V338 HydrophobicContact CB-CG1 4.26Å; L328-I365 HydrophobicContact CD1-CD1 3.7Å; L328-I365 HydrophobicContact CD1-CG1 4.13Å
329	E	95.5	Very high	94.5	Very high	97 Å²	97	45 Å²	45	45%	0.453	23%	0.227	S	C	.	.	H	α-helix	trans	-54.3	-47.3	177.4	-175	-178.1	-149.8	0	0	112	G325 T331 K333 V338	G325-E329 WeakPolarHBondContact O-CB 3.35Å; G325-E329 PolarHBondContact O-N 2.87Å; E329-T331 PolarHBondContact O-N 2.79Å; E329-K333 WeakPolarHBondContact O-CA 3.33Å; E329-K333 WeakPolarHBondContact O-CB 3.36Å; E329-K333 PolarHBondContact O-N 3.43Å; E329-V338 HydrophobicContact CB-CB 4.3Å; E329-V338 HydrophobicContact CB-CG1 4.32Å
330	K	94.3	Very high	94.5	Very high	136 Å²	136	41.3 Å²	41.3	59%	0.591	21%	0.214	S	C	*	.	H	α-helix	trans	-67	-36.5	175.7	-69	-176.3	-175.7	-175.3	0	113.1	S326 Y327 L328	S326-K330 WeakPolarHBondContact O-CG 3.48Å; Y327-K330 PolarHBondContact O-N 3.31Å; L328-K330 VanDerWaalsContact C-N 3.33Å; L328-K330 PolarHBondContact O-N 3.1Å
331	T	94.6	Very high	94.1	Very high	50 Å²	50	41.3 Å²	41.3	31%	0.307	21%	0.214	S	C	.	.	H	α-helix	trans	-74.3	-33.4	-175.9	-58.3	0	0	0	0	112.3	Y327 L328 E329	Y327-T331 WeakPolarHBondContact CD1-OG1 3.41Å; Y327-T331 HydrophobicContact CE1-CG2 4.4Å; Y327-T331 WeakPolarHBondContact CE1-OG1 3.42Å; Y327-T331 WeakPolarHBondContact O-CB 3.47Å; Y327-T331 PolarHBondContact O-N 3.19Å; Y327-T331 PolarHBondContact O-OG1 3.37Å; L328-T331 PolarHBondContact O-N 3.19Å; E329-T331 PolarHBondContact O-N 2.79Å
332	F	95.2	Very high	93.7	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.022	21%	0.214	C	C	.	.	H	α-helix	trans	-105.9	2.2	-175.4	-71.3	-84.3	0	0	0	113.5	L303 K304 L328 N334 S335 T336 V338 M363	L303-F332 HydrophobicContact CB-CE1 4.28Å; L303-F332 HydrophobicContact CB-CE2 4.11Å; L303-F332 HydrophobicContact CB-CZ 3.57Å; L303-F332 HydrophobicContact CD1-CE2 4.49Å; K304-F332 HydrophobicContact CG-CE1 3.82Å; K304-F332 HydrophobicContact CG-CZ 3.69Å; L328-F332 HydrophobicContact CB-CD2 4.32Å; L328-F332 HydrophobicContact CD2-CD2 4.24Å; L328-F332 HydrophobicContact CD2-CE2 3.77Å; L328-F332 WeakPolarHBondContact O-CB 3.39Å; L328-F332 VanDerWaalsContact O-CD2 3.31Å; L328-F332 WeakPolarHBondContact O-CD2 3.39Å; L328-F332 PolarHBondContact O-N 3.31Å; F332-N334 PolarHBondContact O-N 2.96Å; F332-S335 PolarHBondContact O-N 3Å; F332-T336 HydrophobicContact CB-CG2 4.13Å; F332-T336 HydrophobicContact CD1-CG2 4.24Å; F332-T336 HydrophobicContact CG-CG2 4.47Å; F332-T336 PolarHBondContact O-N 3.44Å; F332-T336 VanDerWaalsContact O-O 3.05Å; F332-V338 HydrophobicContact CB-CG2 3.69Å; F332-V338 HydrophobicContact CG-CG2 4.45Å; F332-M363 HydrophobicContact CD1-CE 4.05Å; F332-M363 HydrophobicContact CD1-SD 4.45Å; F332-M363 HydrophobicContact CD2-SD 4.41Å; F332-M363 HydrophobicContact CE1-CE 3.9Å; F332-M363 HydrophobicContact CG-SD 4.37Å; F332-M363 HydrophobicContact CZ-CE 4.3Å
333	K	90.9	Very high	92.6	Very high	171 Å²	171	40.6 Å²	40.6	74%	0.743	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.2	-37.8	-177.8	-170.1	-179.3	178.6	-173.6	0	114.4	E329	E329-K333 WeakPolarHBondContact O-CA 3.33Å; E329-K333 WeakPolarHBondContact O-CB 3.36Å; E329-K333 PolarHBondContact O-N 3.43Å
334	N	90.1	Very high	91.7	Very high	157 Å²	157	47.3 Å²	47.3	84%	0.84	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	9.4	-177.5	-58.3	-11.3	0	0	0	113.2	F332	F332-N334 PolarHBondContact O-N 2.96Å
335	S	90.5	Very high	90.6	Very high	62 Å²	62	50.3 Å²	50.3	43%	0.434	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-39.8	-173.9	-61.7	0	0	0	0	113.2	F332	F332-S335 PolarHBondContact O-N 3Å
336	T	92.3	Very high	89.2	Confident	14 Å²	14	54.2 Å²	54.2	9%	0.086	28%	0.276	C	S	.	.	S	Bend	trans	-160.9	159.2	178.6	-165.9	0	0	0	0	111.1	K307 F332 V338 G362 M363	K307-T336 WeakPolarHBondContact O-CB 3.13Å; K307-T336 PolarHBondContact O-OG1 3.09Å; F332-T336 HydrophobicContact CB-CG2 4.13Å; F332-T336 HydrophobicContact CD1-CG2 4.24Å; F332-T336 HydrophobicContact CG-CG2 4.47Å; F332-T336 PolarHBondContact O-N 3.44Å; F332-T336 VanDerWaalsContact O-O 3.05Å; T336-V338 HydrophobicContact CG2-CG2 4.46Å; T336-G362 WeakPolarHBondContact OG1-CA 3.32Å; T336-M363 HydrophobicContact CG2-CE 3.75Å; T336-M363 HydrophobicContact CG2-CG 4.08Å; T336-M363 HydrophobicContact CG2-SD 3.96Å
337	S	93.7	Very high	88.2	Confident	42 Å²	42	61 Å²	61	29%	0.294	30%	0.304	S	S	.	.			trans	-70.7	129.7	175.6	-173.4	0	0	0	0	110.5	G362 M363	S337-G362 WeakPolarHBondContact O-CA 3.48Å; S337-M363 PolarHBondContact O-N 2.98Å
338	V	95.3	Very high	87.3	Confident	12 Å²	12	65.4 Å²	65.4	7%	0.073	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.3	174.9	-176.7	0	0	0	0	109.1	L328 E329 F332 T336 L340 M363 I365	L328-V338 HydrophobicContact CB-CG1 4.26Å; E329-V338 HydrophobicContact CB-CB 4.3Å; E329-V338 HydrophobicContact CB-CG1 4.32Å; F332-V338 HydrophobicContact CB-CG2 3.69Å; F332-V338 HydrophobicContact CG-CG2 4.45Å; T336-V338 HydrophobicContact CG2-CG2 4.46Å; V338-L340 HydrophobicContact CG1-CD2 4.16Å; V338-M363 CarbonylContact C-O 3.51Å; V338-M363 WeakPolarHBondContact CA-O 3.39Å; V338-M363 HydrophobicContact CG2-CB 4.31Å; V338-M363 HydrophobicContact CG2-SD 4.32Å; V338-I365 HydrophobicContact CG1-CG1 3.9Å
339	L	93.7	Very high	86.4	Confident	16 Å²	16	66.3 Å²	66.3	8%	0.084	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.8	-177.4	-57.6	176.9	0	0	0	110	L352 F356 L359 M363 L364 I365	L339-L352 HydrophobicContact CD2-CD2 4.29Å; L339-F356 HydrophobicContact CD1-CB 3.7Å; L339-F356 HydrophobicContact CD1-CD2 4.04Å; L339-F356 HydrophobicContact CD1-CG 4.32Å; L339-L359 HydrophobicContact CD1-CD1 4.07Å; L339-M363 PolarHBondContact N-O 3.19Å; L339-L364 HydrophobicContact CB-CD1 3.86Å; L339-I365 PolarHBondContact O-N 3.3Å
340	L	93.5	Very high	85.5	Confident	13 Å²	13	65.3 Å²	65.3	7%	0.068	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.1	-178.3	-52.5	-174.6	0	0	0	110.8	V321 V338 K345 I365	V321-L340 HydrophobicContact CG1-CB 4.35Å; V338-L340 HydrophobicContact CG1-CD2 4.16Å; L340-K345 WeakPolarHBondContact O-CD 3.25Å; L340-K345 PolarHBondContact O-NZ 3.43Å; L340-I365 HydrophobicContact CD2-CB 3.64Å; L340-I365 HydrophobicContact CD2-CG1 3.7Å; L340-I365 HydrophobicContact CD2-CG2 4.38Å
341	L	88.9	Confident	85.1	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	122.4	-171.1	-164.7	55.5	0	0	0	113.1	R349 L352 F353 L364 I365 T366 M370	L341-R349 HydrophobicContact CD1-CB 4.05Å; L341-R349 HydrophobicContact CD1-CG 3.7Å; L341-R349 HydrophobicContact CD2-CG 4.46Å; L341-R349 HydrophobicContact CG-CG 4.29Å; L341-L352 HydrophobicContact CD1-CB 4.1Å; L341-L352 HydrophobicContact CD1-CD1 3.97Å; L341-F353 HydrophobicContact CD2-CB 4.42Å; L341-L364 HydrophobicContact CB-CD1 3.66Å; L341-L364 HydrophobicContact CD2-CD1 4.12Å; L341-L364 HydrophobicContact CD2-CD2 4.39Å; L341-I365 PolarHBondContact N-O 2.99Å; L341-T366 WeakPolarHBondContact O-CA 3.07Å; L341-T366 VanDerWaalsContact O-CB 3.26Å; L341-T366 WeakPolarHBondContact O-CB 3.41Å; L341-T366 PolarHBondContact O-OG1 3.32Å; L341-M370 HydrophobicContact CB-CG 4.45Å; L341-M370 HydrophobicContact CD2-CE 3.49Å; L341-M370 VanDerWaalsContact CD2-CE 3.49Å; L341-M370 HydrophobicContact CD2-CG 3.53Å; L341-M370 HydrophobicContact CD2-SD 3.47Å; L341-M370 WeakPolarHBondContact CD2-SD 3.36Å; L341-M370 HydrophobicContact CG-CG 3.75Å; L341-M370 HydrophobicContact CG-SD 3.89Å
342	H	85.9	Confident	84.7	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.019	32%	0.324	C	S	.	.			trans	-156.9	172.3	177.7	61.4	96.5	0	0	0	110.6	C318 D322 K344 K345 T367	C318-H342 HydrophobicContact CB-CB 4.2Å; C318-H342 WeakPolarHBondContact CB-ND1 3.35Å; C318-H342 PolarHBondContact SG-ND1 2.8Å; D322-H342 IonicContact OD1-CD2 3.89Å; D322-H342 IonicContact OD1-CE1 2.94Å; D322-H342 IonicContact OD1-NE2 3.63Å; D322-H342 PolarHBondContact OD1-NE2 3.16Å; D322-H342 IonicContact OD2-CE1 3.28Å; D322-H342 IonicContact OD2-NE2 2.79Å; H342-K344 PolarHBondContact O-N 3.46Å; H342-K345 PolarHBondContact O-N 2.9Å; H342-K345 VanDerWaalsContact O-N 3.07Å; H342-T367 HydrophobicContact CB-CG2 4.04Å
343	G	72.8	Confident	84.1	Confident	22 Å²	22	65.7 Å²	65.7	23%	0.227	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.7	-168	0	0	0	0	0	116.9
344	K	77.5	Confident	83.8	Confident	149 Å²	149	61 Å²	61	65%	0.648	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.2	178.7	-59.3	-172.7	172.5	-170.6	0	113.5	H342 Q346	H342-K344 PolarHBondContact O-N 3.46Å; K344-Q346 PolarHBondContact O-N 2.94Å; K344-Q346 VanDerWaalsContact O-N 3.08Å
345	K	73	Confident	83.8	Confident	62 Å²	62	57.4 Å²	57.4	27%	0.27	28%	0.284	S	S	.	.			trans	-86	46.4	-177.9	-71	-174.5	176.3	-171.9	0	113	L340 H342 H347 Q348 R349 L352	L340-K345 WeakPolarHBondContact O-CD 3.25Å; L340-K345 PolarHBondContact O-NZ 3.43Å; H342-K345 PolarHBondContact O-N 2.9Å; H342-K345 VanDerWaalsContact O-N 3.07Å; K345-H347 PolarHBondContact O-N 3.45Å; K345-Q348 PolarHBondContact O-N 3.15Å; K345-R349 VanDerWaalsContact O-CB 3.3Å; K345-R349 WeakPolarHBondContact O-CB 3.4Å; K345-R349 PolarHBondContact O-N 2.81Å; K345-L352 HydrophobicContact CD-CD1 4.37Å
346	Q	67.4	Low	83.7	Confident	83 Å²	83	54.5 Å²	54.5	39%	0.388	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-41	-166.9	-63.5	-166.2	15.3	0	0	114.9	K344	K344-Q346 PolarHBondContact O-N 2.94Å; K344-Q346 VanDerWaalsContact O-N 3.08Å
347	H	72.9	Confident	83.4	Confident	165 Å²	165	57.6 Å²	57.6	76%	0.764	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-29.6	-175.1	-61.8	-60	0	0	0	114	K345	K345-H347 PolarHBondContact O-N 3.45Å
348	Q	77.9	Confident	83.2	Confident	114 Å²	114	60 Å²	60	53%	0.533	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-8.9	179.8	-65.7	175.7	-1.7	0	0	112.2	K345 Q350 K351 L352	K345-Q348 PolarHBondContact O-N 3.15Å; Q348-Q350 PolarHBondContact O-N 3.1Å; Q348-K351 PolarHBondContact O-N 2.93Å; Q348-L352 HydrophobicContact CB-CD1 4.14Å; Q348-L352 HydrophobicContact CB-CG 4.46Å; Q348-L352 WeakPolarHBondContact O-CB 3.17Å; Q348-L352 WeakPolarHBondContact O-CG 3.29Å; Q348-L352 PolarHBondContact O-N 3.24Å
349	R	77.8	Confident	82.9	Confident	18 Å²	18	61.2 Å²	61.2	7%	0.068	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-47.5	-170.4	-174.4	165.5	67.5	171.2	17.9	113.2	E105 L341 K345 F353 M370	E105-R349 VanDerWaalsContact CD-CZ 3.41Å; E105-R349 VanDerWaalsContact CD-NE 3.3Å; E105-R349 IonicContact OE1-CZ 3.57Å; E105-R349 IonicContact OE1-NE 3.7Å; E105-R349 PolarHBondContact OE1-NE 3.14Å; E105-R349 IonicContact OE1-NH2 3.73Å; E105-R349 PolarHBondContact OE1-NH2 3.14Å; E105-R349 IonicContact OE2-CZ 2.89Å; E105-R349 VanDerWaalsContact OE2-CZ 3.28Å; E105-R349 IonicContact OE2-NE 3.74Å; E105-R349 IonicContact OE2-NH1 3.03Å; E105-R349 IonicContact OE2-NH2 3.68Å; E105-R349 PolarHBondContact OE2-NH2 3.21Å; L341-R349 HydrophobicContact CD1-CB 4.05Å; L341-R349 HydrophobicContact CD1-CG 3.7Å; L341-R349 HydrophobicContact CD2-CG 4.46Å; L341-R349 HydrophobicContact CG-CG 4.29Å; K345-R349 VanDerWaalsContact O-CB 3.3Å; K345-R349 WeakPolarHBondContact O-CB 3.4Å; K345-R349 PolarHBondContact O-N 2.81Å; R349-F353 VanDerWaalsContact O-CB 3.25Å; R349-F353 WeakPolarHBondContact O-CB 3.39Å; R349-F353 PolarHBondContact O-N 2.96Å; R349-M370 HydrophobicContact CG-SD 3.93Å
350	Q	77.3	Confident	82.7	Confident	77 Å²	77	65.6 Å²	65.6	36%	0.36	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-47.3	178.7	-168.3	64.4	47.5	0	0	111.1	Q348 L352 F353 D354	Q348-Q350 PolarHBondContact O-N 3.1Å; Q350-L352 PolarHBondContact O-N 2.97Å; Q350-F353 WeakPolarHBondContact O-CB 3.5Å; Q350-F353 PolarHBondContact O-N 2.95Å; Q350-F353 VanDerWaalsContact O-N 3.1Å; Q350-D354 PolarHBondContact NE2-OD1 3.37Å; Q350-D354 PolarHBondContact O-N 3.26Å
351	K	85.3	Confident	82.6	Confident	162 Å²	162	69 Å²	69	70%	0.704	35%	0.347	S	S	*	.	H	α-helix	trans	-58.6	-45	178.9	-64.6	-172.6	177	-171.1	0	112.6	Q348 F353 H355	Q348-K351 PolarHBondContact O-N 2.93Å; K351-F353 VanDerWaalsContact C-N 3.31Å; K351-H355 VanDerWaalsContact O-CB 3.27Å; K351-H355 WeakPolarHBondContact O-CB 3.42Å; K351-H355 PolarHBondContact O-N 3.4Å
352	L	87	Confident	82.9	Confident	34 Å²	34	69 Å²	69	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-66.6	-36	177.5	-71.9	171.7	0	0	0	111.8	L339 L341 K345 Q348 Q350 F356	L339-L352 HydrophobicContact CD2-CD2 4.29Å; L341-L352 HydrophobicContact CD1-CB 4.1Å; L341-L352 HydrophobicContact CD1-CD1 3.97Å; K345-L352 HydrophobicContact CD-CD1 4.37Å; Q348-L352 HydrophobicContact CB-CD1 4.14Å; Q348-L352 HydrophobicContact CB-CG 4.46Å; Q348-L352 WeakPolarHBondContact O-CB 3.17Å; Q348-L352 WeakPolarHBondContact O-CG 3.29Å; Q348-L352 PolarHBondContact O-N 3.24Å; Q350-L352 PolarHBondContact O-N 2.97Å; L352-F356 PolarHBondContact O-N 3.02Å
353	F	83.3	Confident	83.3	Confident	3 Å²	3	68.8 Å²	68.8	1%	0.013	35%	0.346	C	S	.	.	H	α-helix	trans	-66.7	-50.7	175.9	176.5	-100.2	0	0	0	111.9	L341 R349 Q350 K351 H355 F356 Q357 M370 V374 I376	L341-F353 HydrophobicContact CD2-CB 4.42Å; R349-F353 VanDerWaalsContact O-CB 3.25Å; R349-F353 WeakPolarHBondContact O-CB 3.39Å; R349-F353 PolarHBondContact O-N 2.96Å; Q350-F353 WeakPolarHBondContact O-CB 3.5Å; Q350-F353 PolarHBondContact O-N 2.95Å; Q350-F353 VanDerWaalsContact O-N 3.1Å; K351-F353 VanDerWaalsContact C-N 3.31Å; F353-H355 VanDerWaalsContact C-N 3.25Å; F353-H355 PolarHBondContact O-N 2.83Å; F353-F356 PolarHBondContact O-N 3.38Å; F353-F356 VanDerWaalsContact O-N 3.1Å; F353-Q357 PolarHBondContact O-N 3.48Å; F353-M370 HydrophobicContact CB-CE 3.89Å; F353-M370 HydrophobicContact CD2-CE 3.1Å; F353-M370 HydrophobicContact CE2-CE 3.81Å; F353-M370 HydrophobicContact CG-CE 3.71Å; F353-V374 HydrophobicContact CD2-CG1 4.19Å; F353-V374 HydrophobicContact CE1-CG1 3.86Å; F353-V374 HydrophobicContact CE2-CB 4.32Å; F353-V374 HydrophobicContact CE2-CG1 3.25Å; F353-V374 HydrophobicContact CZ-CB 4.45Å; F353-V374 HydrophobicContact CZ-CG1 3.09Å; F353-I376 HydrophobicContact CE2-CD1 4.01Å; F353-I376 HydrophobicContact CE2-CG1 3.48Å; F353-I376 VanDerWaalsContact CE2-CG1 3.48Å; F353-I376 HydrophobicContact CZ-CG1 4.01Å
354	D	83.9	Confident	84.3	Confident	71 Å²	71	67.7 Å²	67.7	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-59.5	-41.1	178.1	-58.9	-21.6	0	0	0	110.3	Q350 Q357 S358	Q350-D354 PolarHBondContact NE2-OD1 3.37Å; Q350-D354 PolarHBondContact O-N 3.26Å; D354-Q357 WeakPolarHBondContact O-CB 3.4Å; D354-Q357 PolarHBondContact O-N 3.05Å; D354-S358 PolarHBondContact O-N 3.45Å
355	H	89.7	Confident	85.1	Confident	83 Å²	83	60.6 Å²	60.6	38%	0.384	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-44.4	174.5	-177.8	51.3	0	0	0	112.3	K351 F353 Q357 S358 L359	K351-H355 VanDerWaalsContact O-CB 3.27Å; K351-H355 WeakPolarHBondContact O-CB 3.42Å; K351-H355 PolarHBondContact O-N 3.4Å; F353-H355 VanDerWaalsContact C-N 3.25Å; F353-H355 PolarHBondContact O-N 2.83Å; H355-Q357 VanDerWaalsContact C-N 3.28Å; H355-Q357 PolarHBondContact O-N 3.01Å; H355-S358 PolarHBondContact O-N 3.06Å; H355-S358 PolarHBondContact O-OG 2.81Å; H355-L359 WeakPolarHBondContact O-CG 3.45Å; H355-L359 PolarHBondContact O-N 3.24Å
356	F	89.5	Confident	86.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-36.6	174.5	-173.3	-118.3	0	0	0	112.1	K310 L339 L352 F353 S358 L359 L364 I376	K310-F356 HydrophobicContact CD-CZ 4.38Å; K310-F356 WeakPolarHBondContact CE-O 3.46Å; K310-F356 HydrophobicContact CG-CE2 3.98Å; K310-F356 HydrophobicContact CG-CZ 3.74Å; K310-F356 PolarHBondContact NZ-O 2.78Å; L339-F356 HydrophobicContact CD1-CB 3.7Å; L339-F356 HydrophobicContact CD1-CD2 4.04Å; L339-F356 HydrophobicContact CD1-CG 4.32Å; L352-F356 PolarHBondContact O-N 3.02Å; F353-F356 PolarHBondContact O-N 3.38Å; F353-F356 VanDerWaalsContact O-N 3.1Å; F356-S358 VanDerWaalsContact C-N 3.34Å; F356-S358 PolarHBondContact O-N 2.7Å; F356-L359 HydrophobicContact CD2-CD1 4.47Å; F356-L359 PolarHBondContact O-N 3.45Å; F356-L364 HydrophobicContact CB-CD2 4.43Å; F356-L364 HydrophobicContact CD1-CB 3.82Å; F356-L364 HydrophobicContact CD1-CD2 3.47Å; F356-L364 VanDerWaalsContact CD1-CD2 3.47Å; F356-L364 HydrophobicContact CD1-CG 4.22Å; F356-L364 HydrophobicContact CD2-CB 3.74Å; F356-L364 HydrophobicContact CE1-CB 3.62Å; F356-L364 HydrophobicContact CE1-CD2 3.79Å; F356-L364 HydrophobicContact CE1-CG 4.34Å; F356-L364 HydrophobicContact CE2-CB 3.56Å; F356-L364 HydrophobicContact CG-CB 3.86Å; F356-L364 HydrophobicContact CG-CD2 3.94Å; F356-L364 HydrophobicContact CG-CG 4.37Å; F356-L364 HydrophobicContact CZ-CB 3.48Å; F356-L364 VanDerWaalsContact CZ-CB 3.48Å; F356-I376 HydrophobicContact CD1-CD1 4.45Å; F356-I376 HydrophobicContact CD1-CG2 4.05Å; F356-I376 HydrophobicContact CE1-CD1 4.37Å; F356-I376 HydrophobicContact CE1-CG2 3.87Å
357	Q	86	Confident	87.1	Confident	80 Å²	80	54.1 Å²	54.1	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-40.6	178.4	-166.1	170.9	22.8	0	0	111.1	K310 F353 D354 H355 L359	K310-Q357 PolarHBondContact NZ-O 2.94Å; K310-Q357 VanDerWaalsContact NZ-O 3.08Å; F353-Q357 PolarHBondContact O-N 3.48Å; D354-Q357 WeakPolarHBondContact O-CB 3.4Å; D354-Q357 PolarHBondContact O-N 3.05Å; H355-Q357 VanDerWaalsContact C-N 3.28Å; H355-Q357 PolarHBondContact O-N 3.01Å; Q357-L359 VanDerWaalsContact C-N 3.31Å; Q357-L359 PolarHBondContact O-N 3.26Å
358	S	88.2	Confident	87.4	Confident	92 Å²	92	46.8 Å²	46.8	64%	0.643	24%	0.242	S	C	*	.	H	α-helix	trans	-71.5	-19	178.6	65.7	0	0	0	0	115	D354 H355 F356	D354-S358 PolarHBondContact O-N 3.45Å; H355-S358 PolarHBondContact O-N 3.06Å; H355-S358 PolarHBondContact O-OG 2.81Å; F356-S358 VanDerWaalsContact C-N 3.34Å; F356-S358 PolarHBondContact O-N 2.7Å
359	L	90.2	Very high	87.1	Confident	38 Å²	38	43.3 Å²	43.3	20%	0.199	23%	0.229	C	C	.	.			trans	-75.5	135	-180	-72.9	172.1	0	0	0	111.2	K310 L339 H355 F356 Q357 E361	K310-L359 WeakPolarHBondContact CD-O 3.46Å; K310-L359 WeakPolarHBondContact CE-O 3.28Å; K310-L359 PolarHBondContact NZ-O 3.11Å; L339-L359 HydrophobicContact CD1-CD1 4.07Å; H355-L359 WeakPolarHBondContact O-CG 3.45Å; H355-L359 PolarHBondContact O-N 3.24Å; F356-L359 HydrophobicContact CD2-CD1 4.47Å; F356-L359 PolarHBondContact O-N 3.45Å; Q357-L359 VanDerWaalsContact C-N 3.31Å; Q357-L359 PolarHBondContact O-N 3.26Å; L359-E361 WeakPolarHBondContact CB-O 3.27Å
360	S	89.3	Confident	86.4	Confident	108 Å²	108	42.5 Å²	42.5	76%	0.755	23%	0.226	S	C	*	.	S	Bend	trans	-78.8	-32.8	168.9	51.3	0	0	0	0	112.1
361	E	91.9	Very high	85.3	Confident	83 Å²	83	39 Å²	39	39%	0.388	21%	0.21	S	C	.	.	S	Bend	trans	-133.4	150.1	176.4	60.1	174.7	-159.8	0	0	110.7	T308 L359	T308-E361 WeakPolarHBondContact CA-OE2 3.31Å; L359-E361 WeakPolarHBondContact CB-O 3.27Å
362	G	93.6	Very high	84.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.9	167.8	-178.1	0	0	0	0	0	113.8	N309 K310 I311 T336 S337	N309-G362 PolarHBondContact O-N 3.26Å; K310-G362 CarbonylContact C-O 3.46Å; K310-G362 WeakPolarHBondContact CA-O 3.31Å; I311-G362 PolarHBondContact N-O 2.92Å; T336-G362 WeakPolarHBondContact OG1-CA 3.32Å; S337-G362 WeakPolarHBondContact O-CA 3.48Å
363	M	94.8	Very high	82.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.8	-177.1	-59.1	176.3	-178.7	0	0	110.6	L303 I311 F332 T336 S337 V338 L339 I365	L303-M363 HydrophobicContact CB-CE 3.74Å; L303-M363 HydrophobicContact CB-SD 4.14Å; L303-M363 HydrophobicContact CD1-SD 4.12Å; L303-M363 HydrophobicContact CD2-CE 4.06Å; L303-M363 HydrophobicContact CD2-SD 3.99Å; L303-M363 HydrophobicContact CG-CE 4.37Å; L303-M363 HydrophobicContact CG-SD 4.3Å; L303-M363 WeakPolarHBondContact O-CE 3.48Å; I311-M363 HydrophobicContact CB-CG 4.3Å; I311-M363 HydrophobicContact CD1-CE 4.23Å; I311-M363 CarbonylContact O-C 3.56Å; I311-M363 WeakPolarHBondContact O-CA 3.35Å; F332-M363 HydrophobicContact CD1-CE 4.05Å; F332-M363 HydrophobicContact CD1-SD 4.45Å; F332-M363 HydrophobicContact CD2-SD 4.41Å; F332-M363 HydrophobicContact CE1-CE 3.9Å; F332-M363 HydrophobicContact CG-SD 4.37Å; F332-M363 HydrophobicContact CZ-CE 4.3Å; T336-M363 HydrophobicContact CG2-CE 3.75Å; T336-M363 HydrophobicContact CG2-CG 4.08Å; T336-M363 HydrophobicContact CG2-SD 3.96Å; S337-M363 PolarHBondContact O-N 2.98Å; V338-M363 CarbonylContact C-O 3.51Å; V338-M363 WeakPolarHBondContact CA-O 3.39Å; V338-M363 HydrophobicContact CG2-CB 4.31Å; V338-M363 HydrophobicContact CG2-SD 4.32Å; L339-M363 PolarHBondContact N-O 3.19Å; M363-I365 HydrophobicContact CB-CD1 4.43Å
364	L	94	Very high	81.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.5	169.1	179.7	60.5	0	0	0	109.6	I311 L312 V313 L339 L341 F356 I376	I311-L364 PolarHBondContact O-N 3.5Å; L312-L364 HydrophobicContact CD1-CB 3.71Å; L312-L364 HydrophobicContact CD1-CD2 3.63Å; L312-L364 HydrophobicContact CD1-CG 3.7Å; V313-L364 PolarHBondContact N-O 3.24Å; L339-L364 HydrophobicContact CB-CD1 3.86Å; L341-L364 HydrophobicContact CB-CD1 3.66Å; L341-L364 HydrophobicContact CD2-CD1 4.12Å; L341-L364 HydrophobicContact CD2-CD2 4.39Å; F356-L364 HydrophobicContact CB-CD2 4.43Å; F356-L364 HydrophobicContact CD1-CB 3.82Å; F356-L364 HydrophobicContact CD1-CD2 3.47Å; F356-L364 VanDerWaalsContact CD1-CD2 3.47Å; F356-L364 HydrophobicContact CD1-CG 4.22Å; F356-L364 HydrophobicContact CD2-CB 3.74Å; F356-L364 HydrophobicContact CE1-CB 3.62Å; F356-L364 HydrophobicContact CE1-CD2 3.79Å; F356-L364 HydrophobicContact CE1-CG 4.34Å; F356-L364 HydrophobicContact CE2-CB 3.56Å; F356-L364 HydrophobicContact CG-CB 3.86Å; F356-L364 HydrophobicContact CG-CD2 3.94Å; F356-L364 HydrophobicContact CG-CG 4.37Å; F356-L364 HydrophobicContact CZ-CB 3.48Å; F356-L364 VanDerWaalsContact CZ-CB 3.48Å; L364-I376 HydrophobicContact CD2-CD1 4.45Å
365	I	94.9	Very high	81.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.9	175.2	-44.7	-56.2	0	0	0	108.5	V313 F315 V321 L328 V338 L339 L340 L341 M363	V313-I365 HydrophobicContact CB-CD1 3.59Å; V313-I365 HydrophobicContact CG1-CD1 4.28Å; V313-I365 HydrophobicContact CG2-CD1 3.61Å; F315-I365 HydrophobicContact CD2-CG2 3.55Å; F315-I365 HydrophobicContact CE2-CG2 3.45Å; F315-I365 VanDerWaalsContact CE2-CG2 3.45Å; V321-I365 HydrophobicContact CG1-CB 4.48Å; V321-I365 HydrophobicContact CG1-CG2 4.12Å; V321-I365 WeakPolarHBondContact CG1-O 3.48Å; V321-I365 HydrophobicContact CG2-CG2 4.45Å; L328-I365 HydrophobicContact CD1-CD1 3.7Å; L328-I365 HydrophobicContact CD1-CG1 4.13Å; V338-I365 HydrophobicContact CG1-CG1 3.9Å; L339-I365 PolarHBondContact O-N 3.3Å; L340-I365 HydrophobicContact CD2-CB 3.64Å; L340-I365 HydrophobicContact CD2-CG1 3.7Å; L340-I365 HydrophobicContact CD2-CG2 4.38Å; L341-I365 PolarHBondContact N-O 2.99Å; M363-I365 HydrophobicContact CB-CD1 4.43Å
366	T	92.6	Very high	80.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	168.9	-170.1	-162.6	0	0	0	0	114.8	L312 V313 F314 F315 L341 M370	L312-T366 HydrophobicContact CD1-CG2 3.68Å; L312-T366 HydrophobicContact CG-CG2 4.46Å; V313-T366 PolarHBondContact O-N 2.85Å; F314-T366 WeakPolarHBondContact CA-O 3.46Å; F314-T366 HydrophobicContact CD1-CG2 3.89Å; F314-T366 HydrophobicContact CE1-CG2 3.42Å; F314-T366 VanDerWaalsContact CE1-CG2 3.42Å; F314-T366 HydrophobicContact CZ-CG2 4.09Å; F315-T366 PolarHBondContact N-O 2.93Å; L341-T366 WeakPolarHBondContact O-CA 3.07Å; L341-T366 VanDerWaalsContact O-CB 3.26Å; L341-T366 WeakPolarHBondContact O-CB 3.41Å; L341-T366 PolarHBondContact O-OG1 3.32Å; T366-M370 HydrophobicContact CG2-CB 4.32Å; T366-M370 WeakPolarHBondContact OG1-CG 3.28Å
367	T	89.6	Confident	79.5	Confident	8 Å²	8	29.4 Å²	29.4	5%	0.049	18%	0.175	C	C	.	.			trans	-102.9	-177.1	166.9	65.4	0	0	0	0	109.9	F315 T317 V321 H342 V369 M370	F315-T367 WeakPolarHBondContact O-CA 3.48Å; T317-T367 VanDerWaalsContact C-CG2 3.49Å; V321-T367 HydrophobicContact CG2-CG2 3.57Å; H342-T367 HydrophobicContact CB-CG2 4.04Å; T367-V369 PolarHBondContact O-N 2.68Å; T367-V369 WeakPolarHBondContact OG1-CG2 3.38Å; T367-M370 PolarHBondContact O-N 3.22Å
368	D	79.7	Confident	79.1	Confident	12 Å²	12	29.6 Å²	29.6	6%	0.064	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	6.9	178.4	-60.2	-61.5	0	0	0	116	M370 T371 R372 W393 R397	D368-M370 VanDerWaalsContact C-N 3.31Å; D368-T371 WeakPolarHBondContact CA-OG1 3.5Å; D368-T371 PolarHBondContact O-OG1 2.86Å; D368-R372 WeakPolarHBondContact O-CG 3.34Å; D368-W393 HydrophobicContact CB-CE3 3.93Å; D368-W393 HydrophobicContact CB-CZ3 3.98Å; D368-W393 VanDerWaalsContact CG-CE3 3.41Å; D368-W393 VanDerWaalsContact OD2-CE3 3.3Å; D368-W393 WeakPolarHBondContact OD2-CZ3 3.47Å; D368-R397 VanDerWaalsContact CG-NH2 3.32Å; D368-R397 IonicContact OD1-CZ 3.38Å; D368-R397 IonicContact OD1-NE 3.66Å; D368-R397 PolarHBondContact OD1-NE 2.8Å; D368-R397 IonicContact OD1-NH2 3.51Å; D368-R397 PolarHBondContact OD1-NH2 2.98Å; D368-R397 VanDerWaalsContact OD1-NH2 3.12Å; D368-R397 IonicContact OD2-CZ 3.05Å; D368-R397 IonicContact OD2-NE 2.93Å; D368-R397 IonicContact OD2-NH2 3.26Å; D368-R397 PolarHBondContact OD2-NH2 3.03Å
369	V	70.6	Confident	79.2	Confident	41 Å²	41	25.4 Å²	25.4	25%	0.248	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-34.5	177.5	174.3	0	0	0	0	110.2	T367	T367-V369 PolarHBondContact O-N 2.68Å; T367-V369 WeakPolarHBondContact OG1-CG2 3.38Å
370	M	62.5	Low	79.3	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.154	C	C	.	.	S	Bend	trans	-94.7	-16.6	-175.8	-63.4	-58	-59	0	0	113.9	E105 L341 R349 F353 T366 T367 D368 R372 V374	E105-M370 HydrophobicContact CG-CE 3.99Å; E105-M370 HydrophobicContact CG-SD 4.07Å; L341-M370 HydrophobicContact CB-CG 4.45Å; L341-M370 HydrophobicContact CD2-CE 3.49Å; L341-M370 VanDerWaalsContact CD2-CE 3.49Å; L341-M370 HydrophobicContact CD2-CG 3.53Å; L341-M370 HydrophobicContact CD2-SD 3.47Å; L341-M370 WeakPolarHBondContact CD2-SD 3.36Å; L341-M370 HydrophobicContact CG-CG 3.75Å; L341-M370 HydrophobicContact CG-SD 3.89Å; R349-M370 HydrophobicContact CG-SD 3.93Å; F353-M370 HydrophobicContact CB-CE 3.89Å; F353-M370 HydrophobicContact CD2-CE 3.1Å; F353-M370 HydrophobicContact CE2-CE 3.81Å; F353-M370 HydrophobicContact CG-CE 3.71Å; T366-M370 HydrophobicContact CG2-CB 4.32Å; T366-M370 WeakPolarHBondContact OG1-CG 3.28Å; T367-M370 PolarHBondContact O-N 3.22Å; D368-M370 VanDerWaalsContact C-N 3.31Å; M370-R372 PolarHBondContact O-N 3.26Å; M370-V374 WeakPolarHBondContact O-CB 3.34Å; M370-V374 WeakPolarHBondContact O-CG2 3.36Å
371	T	55.9	Low	79.6	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.122	C	C	.	.	S	Bend	trans	-76.9	-10.4	175.1	31.3	0	0	0	0	114.1	F314 D368 G373 R397 R400	F314-T371 HydrophobicContact CD1-CG2 4.14Å; F314-T371 HydrophobicContact CE1-CG2 3.06Å; F314-T371 HydrophobicContact CE2-CG2 3.82Å; F314-T371 HydrophobicContact CZ-CG2 2.89Å; D368-T371 WeakPolarHBondContact CA-OG1 3.5Å; D368-T371 PolarHBondContact O-OG1 2.86Å; T371-G373 PolarHBondContact O-N 3.14Å; T371-G373 VanDerWaalsContact O-N 3.16Å; T371-R397 HydrophobicContact CG2-CG 4.01Å; T371-R400 HydrophobicContact CG2-CG 3.88Å; T371-R400 PolarHBondContact O-NE 3.27Å; T371-R400 PolarHBondContact O-NH1 3.23Å; T371-R400 PolarHBondContact O-NH2 3.36Å
372	R	61.5	Low	79.7	Confident	29 Å²	29	18.2 Å²	18.2	11%	0.109	10%	0.103	C	C	.	.	S	Bend	trans	-92.9	89.8	-173.1	-65.9	-173	-175.7	158.9	-4	110.4	S103 D368 M370 V374 W393	S103-R372 PolarHBondContact OG-O 3.2Å; D368-R372 WeakPolarHBondContact O-CG 3.34Å; M370-R372 PolarHBondContact O-N 3.26Å; R372-V374 VanDerWaalsContact C-N 3.3Å; R372-V374 PolarHBondContact O-N 3.46Å; R372-W393 VanDerWaalsContact NH2-CE2 3.35Å
373	G	56.1	Low	79.8	Confident	10 Å²	10	18.2 Å²	18.2	10%	0.103	10%	0.103	C	C	.	.	S	Bend	trans	99.5	-19.3	165.3	0	0	0	0	0	112.4	L106 E200 R203 T371 D375	L106-G373 WeakPolarHBondContact CD1-O 3.49Å; E200-G373 WeakPolarHBondContact OE1-CA 3.42Å; R203-G373 VanDerWaalsContact NH1-CA 3.26Å; T371-G373 PolarHBondContact O-N 3.14Å; T371-G373 VanDerWaalsContact O-N 3.16Å; G373-D375 PolarHBondContact O-N 2.94Å
374	V	65.9	Low	79.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.103	C	C	.	.			trans	-78	117.6	-164.3	-161.2	0	0	0	0	111.5	E105 Q109 F353 M370 R372 I376 R400	E105-V374 HydrophobicContact CB-CB 4.44Å; E105-V374 HydrophobicContact CB-CG1 4.1Å; E105-V374 HydrophobicContact CB-CG2 3.41Å; E105-V374 VanDerWaalsContact CB-CG2 3.41Å; E105-V374 HydrophobicContact CG-CG2 4.25Å; Q109-V374 VanDerWaalsContact NE2-CG1 3.28Å; Q109-V374 VanDerWaalsContact OE1-CA 3.26Å; F353-V374 HydrophobicContact CD2-CG1 4.19Å; F353-V374 HydrophobicContact CE1-CG1 3.86Å; F353-V374 HydrophobicContact CE2-CB 4.32Å; F353-V374 HydrophobicContact CE2-CG1 3.25Å; F353-V374 HydrophobicContact CZ-CB 4.45Å; F353-V374 HydrophobicContact CZ-CG1 3.09Å; M370-V374 WeakPolarHBondContact O-CB 3.34Å; M370-V374 WeakPolarHBondContact O-CG2 3.36Å; R372-V374 VanDerWaalsContact C-N 3.3Å; R372-V374 PolarHBondContact O-N 3.46Å; V374-I376 PolarHBondContact O-N 3.12Å; V374-R400 PolarHBondContact O-NH1 2.82Å
375	D	66.4	Low	79.9	Confident	73 Å²	73	18.3 Å²	18.3	39%	0.39	10%	0.103	S	C	.	.			trans	-73.2	100.7	174.1	-166.2	19.1	0	0	0	110.4	Q109 G373 R403	Q109-D375 VanDerWaalsContact CD-N 3.33Å; Q109-D375 PolarHBondContact NE2-O 2.98Å; G373-D375 PolarHBondContact O-N 2.94Å; D375-R403 WeakPolarHBondContact OD1-CD 3.45Å; D375-R403 IonicContact OD1-CZ 2.62Å; D375-R403 IonicContact OD1-NE 3.4Å; D375-R403 IonicContact OD1-NH1 3.48Å; D375-R403 PolarHBondContact OD1-NH1 3.37Å
376	I	73.2	Confident	79.9	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.104	C	C	.	.			trans	-98.9	118.7	166	-55.9	165.2	0	0	0	107	L312 F353 F356 L364 V374 I379 R403	L312-I376 HydrophobicContact CD2-CD1 4.18Å; F353-I376 HydrophobicContact CE2-CD1 4.01Å; F353-I376 HydrophobicContact CE2-CG1 3.48Å; F353-I376 VanDerWaalsContact CE2-CG1 3.48Å; F353-I376 HydrophobicContact CZ-CG1 4.01Å; F356-I376 HydrophobicContact CD1-CD1 4.45Å; F356-I376 HydrophobicContact CD1-CG2 4.05Å; F356-I376 HydrophobicContact CE1-CD1 4.37Å; F356-I376 HydrophobicContact CE1-CG2 3.87Å; L364-I376 HydrophobicContact CD2-CD1 4.45Å; V374-I376 PolarHBondContact O-N 3.12Å; I376-I379 HydrophobicContact CB-CD1 3.61Å; I376-I379 HydrophobicContact CB-CG1 4.28Å; I376-I379 HydrophobicContact CD1-CD1 4.09Å; I376-I379 HydrophobicContact CG1-CD1 4.45Å; I376-I379 HydrophobicContact CG2-CD1 3.53Å; I376-I379 HydrophobicContact CG2-CG1 3.69Å; I376-R403 PolarHBondContact O-NH1 2.78Å
377	A	71.8	Confident	79.8	Confident	38 Å²	38	18.3 Å²	18.3	31%	0.314	10%	0.104	S	C	.	.			trans	-76.8	150.3	173.6	0	0	0	0	0	111	K310 I379	K310-A377 PolarHBondContact NZ-O 2.72Å; A377-I379 PolarHBondContact O-N 2.8Å
378	D	79.4	Confident	79.8	Confident	85 Å²	85	18 Å²	18	46%	0.455	10%	0.101	S	C	.	.			trans	63.6	35.1	162.6	-54.3	-23	0	0	0	116	K310 K406	K310-D378 WeakPolarHBondContact CB-O 3.42Å; K310-D378 VanDerWaalsContact CD-O 3.31Å; K310-D378 WeakPolarHBondContact CD-O 3.33Å; D378-K406 VanDerWaalsContact CG-NZ 3.29Å; D378-K406 WeakPolarHBondContact OD1-CD 3.37Å; D378-K406 WeakPolarHBondContact OD1-CE 3.47Å; D378-K406 IonicContact OD1-NZ 2.88Å; D378-K406 PolarHBondContact OD1-NZ 3.15Å; D378-K406 IonicContact OD2-NZ 3.22Å; D378-K406 PolarHBondContact OD2-NZ 2.68Å
379	I	89.4	Confident	80	Confident	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.114	C	C	.	.			trans	-78.4	124.6	168.8	-64.3	165.7	0	0	0	108.9	L312 I376 A377 W381 V382 R400 T401	L312-I379 HydrophobicContact CB-CD1 4.16Å; L312-I379 HydrophobicContact CB-CG2 4.19Å; L312-I379 HydrophobicContact CD2-CD1 3.74Å; I376-I379 HydrophobicContact CB-CD1 3.61Å; I376-I379 HydrophobicContact CB-CG1 4.28Å; I376-I379 HydrophobicContact CD1-CD1 4.09Å; I376-I379 HydrophobicContact CG1-CD1 4.45Å; I376-I379 HydrophobicContact CG2-CD1 3.53Å; I376-I379 HydrophobicContact CG2-CG1 3.69Å; A377-I379 PolarHBondContact O-N 2.8Å; I379-W381 VanDerWaalsContact CG2-O 3.24Å; I379-W381 WeakPolarHBondContact CG2-O 3.39Å; I379-V382 HydrophobicContact CG2-CG2 4.05Å; I379-R400 HydrophobicContact CD1-CB 3.9Å; I379-T401 VanDerWaalsContact O-CB 3.26Å; I379-T401 WeakPolarHBondContact O-CB 3.35Å; I379-T401 PolarHBondContact O-OG1 3.09Å
380	D	92.7	Very high	80.4	Confident	56 Å²	56	22.1 Å²	22.1	30%	0.299	11%	0.114	S	C	.	.			trans	-80.9	-39.4	174.9	-60.6	-48.9	0	0	0	112.1	N309 K310 N409	N309-D380 VanDerWaalsContact CA-OD2 3.22Å; N309-D380 WeakPolarHBondContact CA-OD2 3.3Å; N309-D380 HydrophobicContact CB-CB 3.97Å; N309-D380 VanDerWaalsContact CB-OD2 3.29Å; N309-D380 WeakPolarHBondContact CB-OD2 3.47Å; N309-D380 VanDerWaalsContact ND2-CG 3.31Å; N309-D380 PolarHBondContact ND2-OD2 3.4Å; K310-D380 PolarHBondContact N-OD2 2.9Å; K310-D380 PolarHBondContact O-N 3.14Å; D380-N409 PolarHBondContact O-N 3.3Å; D380-N409 PolarHBondContact O-ND2 3.16Å
381	W	95	Very high	81.3	Confident	22 Å²	22	23.1 Å²	23.1	8%	0.083	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.4	-173.9	-76.4	93.2	0	0	0	112.6	Y286 F302 H306 K310 I311 L312 I379 N409 L411	Y286-W381 HydrophobicContact CD2-CH2 4.06Å; Y286-W381 AromaticContact CD2-CZ3 3.92Å; Y286-W381 HydrophobicContact CD2-CZ3 3.92Å; Y286-W381 AromaticContact CE2-CH2 3.97Å; Y286-W381 HydrophobicContact CE2-CH2 3.97Å; Y286-W381 HydrophobicContact CE2-CZ3 4.22Å; F302-W381 HydrophobicContact CE1-CD2 4.3Å; F302-W381 HydrophobicContact CE1-CE3 4.27Å; F302-W381 HydrophobicContact CE1-CG 4.48Å; F302-W381 HydrophobicContact CE2-CE3 4.31Å; F302-W381 HydrophobicContact CE2-CH2 4.29Å; F302-W381 HydrophobicContact CE2-CZ3 4.11Å; F302-W381 AromaticContact CZ-CD2 3.62Å; F302-W381 HydrophobicContact CZ-CD2 3.62Å; F302-W381 AromaticContact CZ-CE3 3.45Å; F302-W381 HydrophobicContact CZ-CE3 3.45Å; F302-W381 VanDerWaalsContact CZ-CE3 3.45Å; F302-W381 HydrophobicContact CZ-CG 4.23Å; F302-W381 HydrophobicContact CZ-CH2 4.11Å; F302-W381 HydrophobicContact CZ-CZ2 4.28Å; F302-W381 AromaticContact CZ-CZ3 3.7Å; F302-W381 HydrophobicContact CZ-CZ3 3.7Å; H306-W381 AromaticContact CE1-CE2 3.97Å; H306-W381 AromaticContact CE1-CZ2 3.9Å; H306-W381 AromaticContact CE1-NE1 3.82Å; H306-W381 AromaticContact ND1-NE1 3.54Å; K310-W381 PolarHBondContact O-N 3.38Å; I311-W381 CarbonylContact C-O 3.53Å; I311-W381 WeakPolarHBondContact CA-O 3.26Å; I311-W381 HydrophobicContact CB-CB 4.47Å; I311-W381 HydrophobicContact CG1-CB 4.16Å; I311-W381 HydrophobicContact CG2-CB 4.05Å; L312-W381 PolarHBondContact N-O 2.78Å; I379-W381 VanDerWaalsContact CG2-O 3.24Å; I379-W381 WeakPolarHBondContact CG2-O 3.39Å; W381-N409 CarbonylContact C-O 3.59Å; W381-N409 VanDerWaalsContact CA-O 3.31Å; W381-N409 WeakPolarHBondContact CA-O 3.43Å; W381-N409 HydrophobicContact CD2-CB 3.53Å; W381-N409 HydrophobicContact CE3-CB 3.33Å; W381-N409 HydrophobicContact CG-CB 4.35Å; W381-N409 HydrophobicContact CH2-CB 3.58Å; W381-N409 HydrophobicContact CZ2-CB 3.73Å; W381-N409 HydrophobicContact CZ3-CB 3.39Å; W381-L411 HydrophobicContact CE3-CB 4.4Å; W381-L411 HydrophobicContact CZ3-CB 4.19Å
382	V	93.8	Very high	82.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.6	163	172.1	0	0	0	0	108.8	L312 F314 I379 Q384 R397 R400 T401 N409 A410 L411	L312-V382 HydrophobicContact CB-CG2 4.42Å; L312-V382 CarbonylContact O-C 3.56Å; L312-V382 WeakPolarHBondContact O-CA 3.39Å; F314-V382 HydrophobicContact CD2-CG1 3.86Å; F314-V382 HydrophobicContact CE2-CG1 3.66Å; I379-V382 HydrophobicContact CG2-CG2 4.05Å; V382-Q384 HydrophobicContact CG1-CG 4.41Å; V382-R397 WeakPolarHBondContact CG1-O 3.39Å; V382-R400 HydrophobicContact CG2-CB 3.98Å; V382-T401 HydrophobicContact CB-CG2 4.38Å; V382-T401 HydrophobicContact CG2-CG2 3.76Å; V382-N409 PolarHBondContact N-O 2.7Å; V382-A410 HydrophobicContact CB-CB 4.31Å; V382-A410 CarbonylContact O-C 3.54Å; V382-A410 VanDerWaalsContact O-CA 3.22Å; V382-A410 WeakPolarHBondContact O-CA 2.93Å; V382-L411 PolarHBondContact O-N 3.35Å
383	V	96.2	Very high	83.1	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127	178	-173.3	0	0	0	0	109.5	L299 F302 I311 L312 V313 F314 L411	L299-V383 HydrophobicContact CD1-CG1 3.65Å; F302-V383 HydrophobicContact CD1-CG2 3.81Å; F302-V383 HydrophobicContact CE1-CG2 3.38Å; F302-V383 HydrophobicContact CZ-CG2 4.25Å; I311-V383 HydrophobicContact CG2-CG2 3.84Å; L312-V383 PolarHBondContact O-N 2.91Å; V313-V383 CarbonylContact C-O 3.59Å; V313-V383 VanDerWaalsContact CA-O 3.26Å; V313-V383 WeakPolarHBondContact CA-O 3.26Å; V313-V383 HydrophobicContact CG1-CB 4.48Å; V313-V383 HydrophobicContact CG2-CB 4.31Å; F314-V383 PolarHBondContact N-O 2.86Å; V383-L411 CarbonylContact C-O 3.54Å; V383-L411 VanDerWaalsContact CA-O 3.32Å; V383-L411 WeakPolarHBondContact CA-O 3.5Å; V383-L411 HydrophobicContact CG1-CD2 4.45Å
384	Q	95.6	Very high	84.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.7	176.1	-58.3	-174.2	59.9	0	0	108.3	F314 V382 D386 F394 R397 C398 L411 I412 L413	F314-Q384 HydrophobicContact CB-CG 4.41Å; F314-Q384 HydrophobicContact CD2-CG 4.2Å; V382-Q384 HydrophobicContact CG1-CG 4.41Å; Q384-D386 VanDerWaalsContact C-N 3.26Å; Q384-D386 PolarHBondContact O-N 3.43Å; Q384-F394 VanDerWaalsContact NE2-CE2 3.25Å; Q384-R397 HydrophobicContact CG-CB 4.45Å; Q384-R397 VanDerWaalsContact OE1-NH1 3.15Å; Q384-C398 PolarHBondContact NE2-SG 3.1Å; Q384-L411 PolarHBondContact N-O 3.41Å; Q384-I412 HydrophobicContact CB-CB 4.21Å; Q384-I412 HydrophobicContact CB-CD1 4.49Å; Q384-I412 HydrophobicContact CB-CG1 4.04Å; Q384-L413 PolarHBondContact O-N 2.83Å
385	F	96.2	Very high	85.1	Confident	1 Å²	1	24 Å²	24	0%	0.004	12%	0.124	C	C	.	.	S	Bend	trans	-66.1	-34.1	178.5	-170.6	-107.9	0	0	0	111.2	K295 F296 L299 F314 F315 F324 L413	K295-F385 HydrophobicContact CB-CE2 4.29Å; K295-F385 HydrophobicContact CB-CZ 4.02Å; K295-F385 HydrophobicContact CD-CE1 4.17Å; K295-F385 HydrophobicContact CD-CE2 4.47Å; K295-F385 HydrophobicContact CD-CZ 4.02Å; K295-F385 WeakPolarHBondContact CE-O 3.17Å; K295-F385 HydrophobicContact CG-CE1 4.36Å; K295-F385 HydrophobicContact CG-CE2 3.81Å; K295-F385 HydrophobicContact CG-CZ 3.72Å; K295-F385 PolarHBondContact NZ-O 3.16Å; K295-F385 VanDerWaalsContact NZ-O 3.15Å; F296-F385 HydrophobicContact CB-CE2 4.39Å; F296-F385 HydrophobicContact CB-CZ 4.37Å; F296-F385 HydrophobicContact CD2-CE2 4.45Å; L299-F385 HydrophobicContact CB-CD2 4.22Å; L299-F385 HydrophobicContact CB-CE2 4.26Å; L299-F385 HydrophobicContact CD2-CD2 3.85Å; L299-F385 HydrophobicContact CD2-CE2 4.27Å; L299-F385 HydrophobicContact CG-CD2 4.48Å; F314-F385 WeakPolarHBondContact O-CB 3.47Å; F314-F385 PolarHBondContact O-N 2.65Å; F315-F385 HydrophobicContact CD1-CB 3.78Å; F315-F385 AromaticContact CD1-CD1 3.68Å; F315-F385 HydrophobicContact CD1-CD1 3.68Å; F315-F385 AromaticContact CD1-CG 3.84Å; F315-F385 HydrophobicContact CD1-CG 3.84Å; F315-F385 HydrophobicContact CE1-CB 3.65Å; F315-F385 AromaticContact CE1-CD1 3.41Å; F315-F385 HydrophobicContact CE1-CD1 3.41Å; F315-F385 VanDerWaalsContact CE1-CD1 3.41Å; F315-F385 AromaticContact CE1-CD2 3.92Å; F315-F385 HydrophobicContact CE1-CD2 3.92Å; F315-F385 HydrophobicContact CE1-CE1 4.01Å; F315-F385 HydrophobicContact CE1-CE2 4.44Å; F315-F385 AromaticContact CE1-CG 3.36Å; F315-F385 HydrophobicContact CE1-CG 3.36Å; F315-F385 HydrophobicContact CE1-CZ 4.48Å; F315-F385 HydrophobicContact CG-CB 4.42Å; F315-F385 HydrophobicContact CZ-CB 4.17Å; F315-F385 HydrophobicContact CZ-CD1 4.49Å; F315-F385 HydrophobicContact CZ-CD2 4.3Å; F315-F385 HydrophobicContact CZ-CG 4.07Å; F324-F385 HydrophobicContact CE2-CE1 4.27Å; F385-L413 HydrophobicContact CD2-CD1 4.09Å; F385-L413 HydrophobicContact CE2-CD1 4.47Å
386	D	93.1	Very high	85.5	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.106	C	C	.	.	S	Bend	trans	-139.2	159.1	179.9	-54.8	-61.2	0	0	0	111.2	K295 Q384 R397 Y473	K295-D386 WeakPolarHBondContact CE-OD1 3.15Å; K295-D386 IonicContact NZ-OD1 3.61Å; K295-D386 PolarHBondContact NZ-OD1 3.49Å; Q384-D386 VanDerWaalsContact C-N 3.26Å; Q384-D386 PolarHBondContact O-N 3.43Å; D386-R397 PolarHBondContact O-NH1 2.93Å; D386-Y473 VanDerWaalsContact CG-CE2 3.44Å; D386-Y473 WeakPolarHBondContact OD1-CE2 3.47Å; D386-Y473 PolarHBondContact OD1-OH 3.37Å; D386-Y473 VanDerWaalsContact OD1-OH 3.13Å; D386-Y473 VanDerWaalsContact OD2-CE2 3.25Å; D386-Y473 WeakPolarHBondContact OD2-CE2 3.19Å
387	P	92.1	Very high	86.1	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.			trans	-48.5	133.3	163.3	-27.1	34.9	0	0	0	111.2	N316 I412 L414 Y421	N316-P387 PolarHBondContact ND2-O 3.2Å; P387-I412 HydrophobicContact CG-CD1 4.38Å; P387-L414 HydrophobicContact CG-CD2 3.7Å; P387-Y421 HydrophobicContact CB-CD1 4.04Å; P387-Y421 HydrophobicContact CB-CE1 3.77Å; P387-Y421 HydrophobicContact CB-CE2 4.41Å; P387-Y421 HydrophobicContact CB-CG 4.45Å; P387-Y421 HydrophobicContact CG-CD1 4.04Å; P387-Y421 HydrophobicContact CG-CE1 4.26Å; P387-Y421 HydrophobicContact CG-CG 4.41Å
388	P	88.7	Confident	86.7	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.			trans	-59.2	164.4	176	25.2	-34	0	0	0	111.8	Q390 W393 F394 Y421	P388-Q390 VanDerWaalsContact C-N 3.27Å; P388-Q390 WeakPolarHBondContact CB-O 3.32Å; P388-Q390 VanDerWaalsContact CG-O 3.28Å; P388-Q390 WeakPolarHBondContact CG-O 3.46Å; P388-Q390 PolarHBondContact O-N 3.42Å; P388-W393 HydrophobicContact CB-CB 3.93Å; P388-F394 HydrophobicContact CG-CB 3.98Å; P388-Y421 WeakPolarHBondContact CD-OH 3.38Å; P388-Y421 WeakPolarHBondContact CG-OH 3.32Å
389	R	84.2	Confident	86.5	Confident	86 Å²	86	14.8 Å²	14.8	33%	0.325	7%	0.07	S	C	.	.	S	Bend	trans	-65.7	-32.6	175.6	-71.2	-177.2	174.7	-166.9	-5.8	113.4	W393 R480 D481	R389-W393 HydrophobicContact CB-CE3 4.5Å; R389-W393 HydrophobicContact CB-CH2 4.2Å; R389-W393 HydrophobicContact CB-CZ3 3.94Å; R389-R480 WeakPolarHBondContact O-CA 3.31Å; R389-D481 PolarHBondContact O-N 3.08Å; R389-D481 VanDerWaalsContact O-N 3.09Å
390	Q	79.7	Confident	86	Confident	55 Å²	55	14.7 Å²	14.7	26%	0.257	7%	0.069	S	C	.	.	S	Bend	trans	-124.1	134.2	174.5	-60.7	178.9	-11.5	0	0	108.3	D206 P388 N392 W393 D481	D206-Q390 PolarHBondContact OD2-OE1 3.11Å; D206-Q390 VanDerWaalsContact OD2-OE1 3.13Å; P388-Q390 VanDerWaalsContact C-N 3.27Å; P388-Q390 WeakPolarHBondContact CB-O 3.32Å; P388-Q390 VanDerWaalsContact CG-O 3.28Å; P388-Q390 WeakPolarHBondContact CG-O 3.46Å; P388-Q390 PolarHBondContact O-N 3.42Å; Q390-N392 VanDerWaalsContact C-N 3.3Å; Q390-N392 WeakPolarHBondContact CB-OD1 3.46Å; Q390-N392 PolarHBondContact O-N 3.33Å; Q390-N392 PolarHBondContact OE1-OD1 3.4Å; Q390-W393 HydrophobicContact CB-CD2 4.13Å; Q390-W393 HydrophobicContact CB-CG 4.13Å; Q390-W393 HydrophobicContact CB-CZ2 4.31Å; Q390-W393 VanDerWaalsContact CD-CZ2 3.46Å; Q390-W393 HydrophobicContact CG-CZ2 3.86Å; Q390-W393 WeakPolarHBondContact O-CB 3.27Å; Q390-W393 PolarHBondContact O-N 2.83Å; Q390-D481 WeakPolarHBondContact CA-OD1 3.5Å; Q390-D481 WeakPolarHBondContact CA-OD2 3.43Å
391	S	80.9	Confident	85.5	Confident	22 Å²	22	12.1 Å²	12.1	15%	0.154	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.7	-179.6	49.8	0	0	0	0	113.2	W393 F394 D481	S391-W393 PolarHBondContact O-N 3.42Å; S391-F394 WeakPolarHBondContact O-CB 3.48Å; S391-F394 PolarHBondContact O-N 2.91Å; S391-D481 WeakPolarHBondContact CB-OD2 3.27Å; S391-D481 PolarHBondContact N-OD1 2.83Å; S391-D481 PolarHBondContact N-OD2 3.15Å; S391-D481 PolarHBondContact OG-OD2 2.9Å
392	N	74.2	Confident	84.6	Confident	30 Å²	30	11.3 Å²	11.3	16%	0.16	5%	0.053	C	C	.	.	H	α-helix	trans	-59.4	-28.1	175.5	67.6	-20	0	0	0	113.4	D206 Q390 F394 V395	D206-N392 PolarHBondContact OD2-ND2 3.25Å; Q390-N392 VanDerWaalsContact C-N 3.3Å; Q390-N392 WeakPolarHBondContact CB-OD1 3.46Å; Q390-N392 PolarHBondContact O-N 3.33Å; Q390-N392 PolarHBondContact OE1-OD1 3.4Å; N392-F394 PolarHBondContact O-N 3.47Å; N392-V395 PolarHBondContact O-N 2.89Å
393	W	81.2	Confident	83.6	Confident	20 Å²	20	12.5 Å²	12.5	8%	0.076	6%	0.058	C	C	.	.	H	α-helix	trans	-70.4	-18.4	177.7	-62.7	3.6	0	0	0	112.5	D206 D368 R372 P388 R389 Q390 S391 V395 H396 R397	D206-W393 PolarHBondContact OD2-NE1 3.21Å; D368-W393 HydrophobicContact CB-CE3 3.93Å; D368-W393 HydrophobicContact CB-CZ3 3.98Å; D368-W393 VanDerWaalsContact CG-CE3 3.41Å; D368-W393 VanDerWaalsContact OD2-CE3 3.3Å; D368-W393 WeakPolarHBondContact OD2-CZ3 3.47Å; R372-W393 VanDerWaalsContact NH2-CE2 3.35Å; P388-W393 HydrophobicContact CB-CB 3.93Å; R389-W393 HydrophobicContact CB-CE3 4.5Å; R389-W393 HydrophobicContact CB-CH2 4.2Å; R389-W393 HydrophobicContact CB-CZ3 3.94Å; Q390-W393 HydrophobicContact CB-CD2 4.13Å; Q390-W393 HydrophobicContact CB-CG 4.13Å; Q390-W393 HydrophobicContact CB-CZ2 4.31Å; Q390-W393 VanDerWaalsContact CD-CZ2 3.46Å; Q390-W393 HydrophobicContact CG-CZ2 3.86Å; Q390-W393 WeakPolarHBondContact O-CB 3.27Å; Q390-W393 PolarHBondContact O-N 2.83Å; S391-W393 PolarHBondContact O-N 3.42Å; W393-V395 VanDerWaalsContact C-N 3.35Å; W393-V395 PolarHBondContact O-N 2.93Å; W393-H396 PolarHBondContact O-N 3.2Å; W393-R397 WeakPolarHBondContact O-CB 3.3Å; W393-R397 VanDerWaalsContact O-CG 3.31Å; W393-R397 WeakPolarHBondContact O-CG 3.31Å; W393-R397 PolarHBondContact O-N 2.82Å
394	F	84.7	Confident	82.2	Confident	3 Å²	3	20 Å²	20	1%	0.013	10%	0.097	C	C	.	.	H	α-helix	trans	-56.4	-51.5	175	178.6	-97.8	0	0	0	110.5	M285 Q384 P388 S391 N392 H396 R397 C398 I412 L425 V431 L433	M285-F394 HydrophobicContact SD-CE1 3.94Å; M285-F394 HydrophobicContact SD-CZ 4.44Å; Q384-F394 VanDerWaalsContact NE2-CE2 3.25Å; P388-F394 HydrophobicContact CG-CB 3.98Å; S391-F394 WeakPolarHBondContact O-CB 3.48Å; S391-F394 PolarHBondContact O-N 2.91Å; N392-F394 PolarHBondContact O-N 3.47Å; F394-H396 VanDerWaalsContact C-N 3.3Å; F394-H396 PolarHBondContact O-N 3.39Å; F394-R397 PolarHBondContact O-N 3Å; F394-C398 WeakPolarHBondContact O-CB 3.4Å; F394-C398 PolarHBondContact O-N 2.96Å; F394-C398 PolarHBondContact O-SG 2.99Å; F394-I412 HydrophobicContact CD2-CD1 4.18Å; F394-I412 HydrophobicContact CE2-CB 4.19Å; F394-I412 HydrophobicContact CE2-CD1 4.03Å; F394-I412 HydrophobicContact CE2-CG2 4.17Å; F394-L425 HydrophobicContact CB-CD2 4.01Å; F394-L425 HydrophobicContact CD1-CD1 3.88Å; F394-L425 HydrophobicContact CD1-CD2 3.9Å; F394-L425 HydrophobicContact CD1-CG 4.48Å; F394-L425 HydrophobicContact CD2-CD1 3.8Å; F394-L425 HydrophobicContact CE1-CD1 3.82Å; F394-L425 HydrophobicContact CE2-CD1 3.72Å; F394-L425 HydrophobicContact CG-CD1 3.88Å; F394-L425 HydrophobicContact CG-CD2 3.88Å; F394-L425 HydrophobicContact CZ-CD1 3.74Å; F394-V431 HydrophobicContact CE1-CG2 4.42Å; F394-L433 HydrophobicContact CZ-CD2 3.88Å
395	V	78.2	Confident	81	Confident	6 Å²	6	23.3 Å²	23.3	4%	0.036	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-39.4	178.4	171.5	0	0	0	0	110.9	V279 N392 W393 R397 C398 G399 L429	V279-V395 HydrophobicContact CG2-CG1 4.05Å; V279-V395 HydrophobicContact CG2-CG2 4.06Å; N392-V395 PolarHBondContact O-N 2.89Å; W393-V395 VanDerWaalsContact C-N 3.35Å; W393-V395 PolarHBondContact O-N 2.93Å; V395-R397 PolarHBondContact O-N 2.81Å; V395-C398 PolarHBondContact O-N 2.99Å; V395-G399 PolarHBondContact O-N 3.3Å; V395-L429 HydrophobicContact CG2-CB 4.49Å; V395-L429 HydrophobicContact CG2-CD1 3.82Å
396	H	75.9	Confident	80.1	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-35.3	177.6	-65	162.7	0	0	0	114.5	D202 R203 W393 F394 R400	D202-H396 IonicContact OD2-CE1 3.37Å; D202-H396 PolarHBondContact OD2-CE1 3.48Å; D202-H396 IonicContact OD2-NE2 2.89Å; D202-H396 PolarHBondContact OD2-NE2 2.82Å; R203-H396 PolarHBondContact NE-ND1 3.25Å; R203-H396 PolarHBondContact NH2-CD2 2.96Å; R203-H396 VanDerWaalsContact NH2-CD2 3.27Å; W393-H396 PolarHBondContact O-N 3.2Å; F394-H396 VanDerWaalsContact C-N 3.3Å; F394-H396 PolarHBondContact O-N 3.39Å; H396-R400 PolarHBondContact O-NE 3.15Å
397	R	85.2	Confident	79.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-49.7	172.9	-74.2	172.3	175.6	-170	1.9	109.6	F314 N316 D368 T371 V382 Q384 D386 W393 F394 V395 G399 R400	F314-R397 HydrophobicContact CD1-CG 4.28Å; F314-R397 HydrophobicContact CD2-CB 4.02Å; F314-R397 HydrophobicContact CD2-CG 3.89Å; F314-R397 HydrophobicContact CE1-CG 4.43Å; F314-R397 HydrophobicContact CE2-CB 3.96Å; F314-R397 HydrophobicContact CE2-CG 4Å; F314-R397 HydrophobicContact CG-CG 4.05Å; F314-R397 HydrophobicContact CZ-CG 4.33Å; N316-R397 PolarHBondContact OD1-NH2 3.26Å; D368-R397 VanDerWaalsContact CG-NH2 3.32Å; D368-R397 IonicContact OD1-CZ 3.38Å; D368-R397 IonicContact OD1-NE 3.66Å; D368-R397 PolarHBondContact OD1-NE 2.8Å; D368-R397 IonicContact OD1-NH2 3.51Å; D368-R397 PolarHBondContact OD1-NH2 2.98Å; D368-R397 VanDerWaalsContact OD1-NH2 3.12Å; D368-R397 IonicContact OD2-CZ 3.05Å; D368-R397 IonicContact OD2-NE 2.93Å; D368-R397 IonicContact OD2-NH2 3.26Å; D368-R397 PolarHBondContact OD2-NH2 3.03Å; T371-R397 HydrophobicContact CG2-CG 4.01Å; V382-R397 WeakPolarHBondContact CG1-O 3.39Å; Q384-R397 HydrophobicContact CG-CB 4.45Å; Q384-R397 VanDerWaalsContact OE1-NH1 3.15Å; D386-R397 PolarHBondContact O-NH1 2.93Å; W393-R397 WeakPolarHBondContact O-CB 3.3Å; W393-R397 VanDerWaalsContact O-CG 3.31Å; W393-R397 WeakPolarHBondContact O-CG 3.31Å; W393-R397 PolarHBondContact O-N 2.82Å; F394-R397 PolarHBondContact O-N 3Å; V395-R397 PolarHBondContact O-N 2.81Å; R397-G399 PolarHBondContact O-N 2.97Å; R397-R400 WeakPolarHBondContact O-CB 3.49Å; R397-R400 VanDerWaalsContact O-CG 3.24Å; R397-R400 WeakPolarHBondContact O-CG 3.41Å; R397-R400 PolarHBondContact O-N 3.32Å
398	C	83.9	Confident	79.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-40.3	179.9	-65.9	0	0	0	0	112.3	L283 Q384 F394 V395 R400 T401 A410	L283-C398 HydrophobicContact CD2-CB 3.69Å; Q384-C398 PolarHBondContact NE2-SG 3.1Å; F394-C398 WeakPolarHBondContact O-CB 3.4Å; F394-C398 PolarHBondContact O-N 2.96Å; F394-C398 PolarHBondContact O-SG 2.99Å; V395-C398 PolarHBondContact O-N 2.99Å; C398-R400 PolarHBondContact O-N 2.97Å; C398-T401 WeakPolarHBondContact O-CG2 3.46Å; C398-T401 PolarHBondContact O-N 3.03Å; C398-A410 HydrophobicContact CB-CB 4.04Å; C398-A410 VanDerWaalsContact SG-CB 3.55Å
399	G	76	Confident	79.8	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.01	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	11.2	177.1	0	0	0	0	0	115.8	T67 V395 R397 R403	T67-G399 PolarHBondContact OG1-O 2.98Å; V395-G399 PolarHBondContact O-N 3.3Å; R397-G399 PolarHBondContact O-N 2.97Å; G399-R403 PolarHBondContact O-NE 2.84Å; G399-R403 PolarHBondContact O-NH2 3.27Å
400	R	79.4	Confident	80.3	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.008	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-24.5	168	-60.7	-61.8	124.7	-171.7	-6.3	112.4	L312 T371 V374 I379 V382 H396 R397 C398 R403	L312-R400 HydrophobicContact CD2-CB 3.84Å; L312-R400 HydrophobicContact CD2-CG 3.85Å; T371-R400 HydrophobicContact CG2-CG 3.88Å; T371-R400 PolarHBondContact O-NE 3.27Å; T371-R400 PolarHBondContact O-NH1 3.23Å; T371-R400 PolarHBondContact O-NH2 3.36Å; V374-R400 PolarHBondContact O-NH1 2.82Å; I379-R400 HydrophobicContact CD1-CB 3.9Å; V382-R400 HydrophobicContact CG2-CB 3.98Å; H396-R400 PolarHBondContact O-NE 3.15Å; R397-R400 WeakPolarHBondContact O-CB 3.49Å; R397-R400 VanDerWaalsContact O-CG 3.24Å; R397-R400 WeakPolarHBondContact O-CG 3.41Å; R397-R400 PolarHBondContact O-N 3.32Å; C398-R400 PolarHBondContact O-N 2.97Å; R400-R403 VanDerWaalsContact CZ-NH2 3.27Å
401	T	81.7	Confident	81.1	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	17%	0.166	C	C	.	.	S	Bend	trans	-104	-179.5	171.7	-178.5	0	0	0	0	109.8	L283 I379 V382 C398 R403 G408	L283-T401 HydrophobicContact CD1-CG2 3.43Å; L283-T401 VanDerWaalsContact CD1-CG2 3.43Å; I379-T401 VanDerWaalsContact O-CB 3.26Å; I379-T401 WeakPolarHBondContact O-CB 3.35Å; I379-T401 PolarHBondContact O-OG1 3.09Å; V382-T401 HydrophobicContact CB-CG2 4.38Å; V382-T401 HydrophobicContact CG2-CG2 3.76Å; C398-T401 WeakPolarHBondContact O-CG2 3.46Å; C398-T401 PolarHBondContact O-N 3.03Å; T401-R403 PolarHBondContact O-N 3.01Å; T401-G408 WeakPolarHBondContact OG1-CA 3.33Å
402	A	77	Confident	81.8	Confident	5 Å²	5	27.2 Å²	27.2	4%	0.041	16%	0.159	C	C	.	.	S	Bend	trans	57.4	42.7	177.9	0	0	0	0	0	114.6	P280 S282 L283 K406	P280-A402 HydrophobicContact CB-CB 4.27Å; P280-A402 WeakPolarHBondContact CB-O 3.46Å; S282-A402 WeakPolarHBondContact OG-CB 3.48Å; L283-A402 HydrophobicContact CB-CB 3.71Å; L283-A402 HydrophobicContact CD1-CB 4Å; L283-A402 HydrophobicContact CG-CB 4.38Å; A402-K406 CarbonylContact C-O 3.6Å; A402-K406 WeakPolarHBondContact CA-O 3.35Å
403	R	71.9	Confident	82.9	Confident	25 Å²	25	25.8 Å²	25.8	9%	0.094	15%	0.152	C	C	.	.			trans	-98.7	151	-178.6	-68.4	-178.5	175.1	170.7	-15.7	112	D375 I376 G399 R400 T401 G405 K406	D375-R403 WeakPolarHBondContact OD1-CD 3.45Å; D375-R403 IonicContact OD1-CZ 2.62Å; D375-R403 IonicContact OD1-NE 3.4Å; D375-R403 IonicContact OD1-NH1 3.48Å; D375-R403 PolarHBondContact OD1-NH1 3.37Å; I376-R403 PolarHBondContact O-NH1 2.78Å; G399-R403 PolarHBondContact O-NE 2.84Å; G399-R403 PolarHBondContact O-NH2 3.27Å; R400-R403 VanDerWaalsContact CZ-NH2 3.27Å; T401-R403 PolarHBondContact O-N 3.01Å; R403-G405 PolarHBondContact O-N 3.49Å; R403-K406 WeakPolarHBondContact O-CB 3.39Å; R403-K406 PolarHBondContact O-N 2.8Å
404	L	67.1	Low	83.6	Confident	158 Å²	158	24.9 Å²	24.9	83%	0.827	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.7	178.4	-57.8	173.2	0	0	0	112.8	K406	L404-K406 PolarHBondContact O-N 2.89Å
405	G	69.3	Low	84.1	Confident	68 Å²	68	24.7 Å²	24.7	70%	0.701	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	-6.1	-179.8	0	0	0	0	0	115.6	R403	R403-G405 PolarHBondContact O-N 3.49Å
406	K	78.6	Confident	84.8	Confident	105 Å²	105	28.1 Å²	28.1	46%	0.457	17%	0.17	S	C	.	.			trans	-64.5	148.6	174	-65.7	-171.1	179.4	-175.8	0	110.5	S282 D378 A402 R403 L404	S282-K406 WeakPolarHBondContact CB-O 3.45Å; S282-K406 PolarHBondContact OG-O 2.89Å; D378-K406 VanDerWaalsContact CG-NZ 3.29Å; D378-K406 WeakPolarHBondContact OD1-CD 3.37Å; D378-K406 WeakPolarHBondContact OD1-CE 3.47Å; D378-K406 IonicContact OD1-NZ 2.88Å; D378-K406 PolarHBondContact OD1-NZ 3.15Å; D378-K406 IonicContact OD2-NZ 3.22Å; D378-K406 PolarHBondContact OD2-NZ 2.68Å; A402-K406 CarbonylContact C-O 3.6Å; A402-K406 WeakPolarHBondContact CA-O 3.35Å; R403-K406 WeakPolarHBondContact O-CB 3.39Å; R403-K406 PolarHBondContact O-N 2.8Å; L404-K406 PolarHBondContact O-N 2.89Å
407	P	85	Confident	85.6	Confident	104 Å²	104	29.3 Å²	29.3	68%	0.675	18%	0.176	S	C	*	.			trans	-68.8	155	171.7	30.1	-34.5	0	0	0	110.6
408	G	89.3	Confident	85.9	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.3	176.8	0	0	0	0	0	112	S282 L283 K284 T401	S282-G408 PolarHBondContact O-N 3.04Å; L283-G408 WeakPolarHBondContact CD1-O 3.29Å; K284-G408 PolarHBondContact N-O 3.36Å; T401-G408 WeakPolarHBondContact OG1-CA 3.33Å
409	N	93.6	Very high	86.4	Confident	34 Å²	34	32.2 Å²	32.2	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.8	178.4	-54.6	-83.1	0	0	0	110.8	K284 Y286 D380 W381 V382	K284-N409 CarbonylContact O-C 3.56Å; K284-N409 VanDerWaalsContact O-CA 3.32Å; K284-N409 WeakPolarHBondContact O-CA 3.08Å; Y286-N409 HydrophobicContact CE2-CB 4.15Å; D380-N409 PolarHBondContact O-N 3.3Å; D380-N409 PolarHBondContact O-ND2 3.16Å; W381-N409 CarbonylContact C-O 3.59Å; W381-N409 VanDerWaalsContact CA-O 3.31Å; W381-N409 WeakPolarHBondContact CA-O 3.43Å; W381-N409 HydrophobicContact CD2-CB 3.53Å; W381-N409 HydrophobicContact CE3-CB 3.33Å; W381-N409 HydrophobicContact CG-CB 4.35Å; W381-N409 HydrophobicContact CH2-CB 3.58Å; W381-N409 HydrophobicContact CZ2-CB 3.73Å; W381-N409 HydrophobicContact CZ3-CB 3.39Å; V382-N409 PolarHBondContact N-O 2.7Å
410	A	93.9	Very high	87.1	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.7	172.4	0	0	0	0	0	110.5	L283 K284 M285 Y286 V382 C398	L283-A410 HydrophobicContact CD1-CB 4.31Å; K284-A410 PolarHBondContact O-N 3.47Å; M285-A410 CarbonylContact C-O 3.58Å; M285-A410 HydrophobicContact CG-CB 4.31Å; Y286-A410 PolarHBondContact N-O 3.45Å; V382-A410 HydrophobicContact CB-CB 4.31Å; V382-A410 CarbonylContact O-C 3.54Å; V382-A410 VanDerWaalsContact O-CA 3.22Å; V382-A410 WeakPolarHBondContact O-CA 2.93Å; C398-A410 HydrophobicContact CB-CB 4.04Å; C398-A410 VanDerWaalsContact SG-CB 3.55Å
411	L	96.2	Very high	87.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.5	177.1	171.1	61.1	0	0	0	109.6	Y286 A288 F302 W381 V382 V383 Q384 L413 L436 I438	Y286-L411 WeakPolarHBondContact O-CA 3.37Å; A288-L411 HydrophobicContact CB-CD1 4.07Å; F302-L411 HydrophobicContact CD1-CD2 4.24Å; F302-L411 HydrophobicContact CD2-CD2 3.44Å; F302-L411 VanDerWaalsContact CD2-CD2 3.44Å; F302-L411 HydrophobicContact CE1-CD2 4.27Å; F302-L411 HydrophobicContact CE2-CD2 3.46Å; F302-L411 VanDerWaalsContact CE2-CD2 3.46Å; F302-L411 HydrophobicContact CG-CD2 3.86Å; F302-L411 HydrophobicContact CZ-CD2 3.91Å; W381-L411 HydrophobicContact CE3-CB 4.4Å; W381-L411 HydrophobicContact CZ3-CB 4.19Å; V382-L411 PolarHBondContact O-N 3.35Å; V383-L411 CarbonylContact C-O 3.54Å; V383-L411 VanDerWaalsContact CA-O 3.32Å; V383-L411 WeakPolarHBondContact CA-O 3.5Å; V383-L411 HydrophobicContact CG1-CD2 4.45Å; Q384-L411 PolarHBondContact N-O 3.41Å; L411-L413 HydrophobicContact CD1-CD2 4.38Å; L411-L413 HydrophobicContact CD2-CD2 4.07Å; L411-L413 HydrophobicContact CG-CD2 4.19Å; L411-L436 HydrophobicContact CD1-CD1 4.28Å; L411-I438 HydrophobicContact CD2-CD1 4.09Å
412	I	96.1	Very high	88.1	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.8	166.3	-174	166.4	0	0	0	111	Y286 Y287 A288 Q384 P387 F394 L414 Y421 L433	Y286-I412 PolarHBondContact O-N 3.29Å; Y287-I412 CarbonylContact C-O 3.58Å; Y287-I412 VanDerWaalsContact CA-O 3.31Å; Y287-I412 WeakPolarHBondContact CA-O 3.16Å; A288-I412 PolarHBondContact N-O 3.03Å; Q384-I412 HydrophobicContact CB-CB 4.21Å; Q384-I412 HydrophobicContact CB-CD1 4.49Å; Q384-I412 HydrophobicContact CB-CG1 4.04Å; P387-I412 HydrophobicContact CG-CD1 4.38Å; F394-I412 HydrophobicContact CD2-CD1 4.18Å; F394-I412 HydrophobicContact CE2-CB 4.19Å; F394-I412 HydrophobicContact CE2-CD1 4.03Å; F394-I412 HydrophobicContact CE2-CG2 4.17Å; I412-L414 HydrophobicContact CD1-CD2 3.78Å; I412-L414 HydrophobicContact CG1-CD2 3.78Å; I412-L414 HydrophobicContact CG1-CG 4.31Å; I412-L414 HydrophobicContact CG2-CD1 4.5Å; I412-L414 HydrophobicContact CG2-CG 4.34Å; I412-Y421 HydrophobicContact CD1-CD1 4.06Å; I412-Y421 HydrophobicContact CD1-CE1 3.82Å; I412-L433 HydrophobicContact CG2-CD2 4.02Å
413	L	97	Very high	88.6	Confident	1 Å²	1	38 Å²	38	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.5	172.5	-56.8	-177.4	0	0	0	109.3	A288 K295 L299 Q384 F385 L411 I438	A288-L413 HydrophobicContact CB-CD2 3.96Å; K295-L413 WeakPolarHBondContact CE-O 3.25Å; K295-L413 PolarHBondContact NZ-O 3.01Å; L299-L413 HydrophobicContact CB-CD1 3.98Å; L299-L413 HydrophobicContact CD1-CD1 4.45Å; Q384-L413 PolarHBondContact O-N 2.83Å; F385-L413 HydrophobicContact CD2-CD1 4.09Å; F385-L413 HydrophobicContact CE2-CD1 4.47Å; L411-L413 HydrophobicContact CD1-CD2 4.38Å; L411-L413 HydrophobicContact CD2-CD2 4.07Å; L411-L413 HydrophobicContact CG-CD2 4.19Å; L413-I438 HydrophobicContact CD2-CD1 3.91Å
414	L	95.6	Very high	89.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.6	179.7	-58.1	176.8	0	0	0	109.6	Y287 A288 V289 V290 P387 I412 E418 Y421 A422	Y287-L414 HydrophobicContact CD2-CD1 4.01Å; Y287-L414 HydrophobicContact CG-CD1 4.43Å; A288-L414 PolarHBondContact O-N 3.46Å; V289-L414 CarbonylContact C-O 3.56Å; V289-L414 WeakPolarHBondContact CA-O 3.21Å; V290-L414 PolarHBondContact N-O 3.31Å; P387-L414 HydrophobicContact CG-CD2 3.7Å; I412-L414 HydrophobicContact CD1-CD2 3.78Å; I412-L414 HydrophobicContact CG1-CD2 3.78Å; I412-L414 HydrophobicContact CG1-CG 4.31Å; I412-L414 HydrophobicContact CG2-CD1 4.5Å; I412-L414 HydrophobicContact CG2-CG 4.34Å; L414-E418 HydrophobicContact CB-CB 4.14Å; L414-E418 HydrophobicContact CD2-CB 4.24Å; L414-Y421 HydrophobicContact CD2-CD1 3.99Å; L414-A422 HydrophobicContact CD1-CB 4.2Å
415	M	94.9	Very high	90.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.198	C	C	.	.			trans	-80.7	163.2	165.5	-66.8	176.2	-64.4	0	0	110.4	V290 A292 K295 N417 E418 E419 Y473 Y477 L491 L496	V290-M415 WeakPolarHBondContact O-CA 3.41Å; A292-M415 HydrophobicContact CB-CG 4.4Å; A292-M415 HydrophobicContact CB-SD 3.73Å; K295-M415 HydrophobicContact CD-CG 3.98Å; K295-M415 HydrophobicContact CD-SD 4.31Å; M415-N417 VanDerWaalsContact CB-OD1 3.22Å; M415-N417 WeakPolarHBondContact CB-OD1 3.45Å; M415-N417 PolarHBondContact O-N 3.23Å; M415-E418 HydrophobicContact CB-CG 4.14Å; M415-E418 HydrophobicContact CE-CG 4.08Å; M415-E418 VanDerWaalsContact CE-OE2 3.29Å; M415-E418 WeakPolarHBondContact CE-OE2 3.37Å; M415-E418 PolarHBondContact N-OE2 3.17Å; M415-E418 CarbonylContact O-C 3.52Å; M415-E418 WeakPolarHBondContact O-CA 3.39Å; M415-E418 WeakPolarHBondContact O-CB 3.16Å; M415-E418 PolarHBondContact O-N 3.16Å; M415-E419 PolarHBondContact O-N 2.89Å; M415-Y473 WeakPolarHBondContact CE-OH 3.37Å; M415-Y477 HydrophobicContact CE-CE2 3.82Å; M415-L491 HydrophobicContact CE-CD1 3.3Å; M415-L491 HydrophobicContact SD-CD1 3.99Å; M415-L496 HydrophobicContact SD-CD1 4.38Å
416	P	93.6	Very high	91	Very high	78 Å²	78	31.7 Å²	31.7	51%	0.506	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-53.4	-40.1	178.4	-28.6	36.4	0	0	0	113.5	V289 E418 E419	V289-P416 HydrophobicContact CG1-CB 4.47Å; V289-P416 HydrophobicContact CG1-CG 4.24Å; P416-E418 PolarHBondContact O-N 3.25Å; P416-E419 PolarHBondContact O-N 3.2Å
417	N	91.7	Very high	91.3	Very high	29 Å²	29	35 Å²	35	16%	0.155	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-72.9	-5	175.7	73.7	-63.1	0	0	0	114.1	M415 Y477 E490	M415-N417 VanDerWaalsContact CB-OD1 3.22Å; M415-N417 WeakPolarHBondContact CB-OD1 3.45Å; M415-N417 PolarHBondContact O-N 3.23Å; N417-Y477 PolarHBondContact ND2-OH 3.31Å; N417-Y477 VanDerWaalsContact ND2-OH 3.16Å; N417-E490 HydrophobicContact CB-CB 4Å
418	E	93.2	Very high	90.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-110.2	1.2	177.8	-56.3	-178	130.6	0	0	111.9	K295 L414 M415 P416 G420 Y421 Y477 R480 C486	K295-E418 IonicContact NZ-OE2 2.95Å; K295-E418 PolarHBondContact NZ-OE2 2.96Å; L414-E418 HydrophobicContact CB-CB 4.14Å; L414-E418 HydrophobicContact CD2-CB 4.24Å; M415-E418 HydrophobicContact CB-CG 4.14Å; M415-E418 HydrophobicContact CE-CG 4.08Å; M415-E418 VanDerWaalsContact CE-OE2 3.29Å; M415-E418 WeakPolarHBondContact CE-OE2 3.37Å; M415-E418 PolarHBondContact N-OE2 3.17Å; M415-E418 CarbonylContact O-C 3.52Å; M415-E418 WeakPolarHBondContact O-CA 3.39Å; M415-E418 WeakPolarHBondContact O-CB 3.16Å; M415-E418 PolarHBondContact O-N 3.16Å; P416-E418 PolarHBondContact O-N 3.25Å; E418-G420 VanDerWaalsContact C-N 3.25Å; E418-G420 PolarHBondContact O-N 2.91Å; E418-Y421 WeakPolarHBondContact O-CB 3.06Å; E418-Y421 PolarHBondContact O-N 3.03Å; E418-Y477 WeakPolarHBondContact OE1-CE2 3.42Å; E418-Y477 PolarHBondContact OE1-OH 3.43Å; E418-R480 IonicContact OE1-CZ 2.71Å; E418-R480 IonicContact OE1-NH1 3.43Å; E418-R480 PolarHBondContact OE1-NH1 3.49Å; E418-R480 IonicContact OE1-NH2 2.91Å; E418-C486 HydrophobicContact CG-CB 4.43Å
419	E	92.9	Very high	90.1	Very high	61 Å²	61	33.2 Å²	33.2	29%	0.285	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-37.1	-175.3	-177.5	163.8	-164	0	0	112	Y287 V289 M415 P416 Y421 A422 R435	Y287-E419 HydrophobicContact CE2-CG 4.46Å; V289-E419 HydrophobicContact CG2-CB 4.2Å; V289-E419 HydrophobicContact CG2-CG 3.87Å; M415-E419 PolarHBondContact O-N 2.89Å; P416-E419 PolarHBondContact O-N 3.2Å; E419-Y421 PolarHBondContact O-N 2.97Å; E419-A422 WeakPolarHBondContact O-CB 3.12Å; E419-A422 PolarHBondContact O-N 2.84Å; E419-R435 IonicContact OE1-CZ 3.14Å; E419-R435 VanDerWaalsContact OE1-CZ 3.28Å; E419-R435 IonicContact OE1-NH1 3.09Å; E419-R435 PolarHBondContact OE1-NH1 3.23Å; E419-R435 IonicContact OE1-NH2 2.92Å; E419-R435 PolarHBondContact OE1-NH2 2.97Å; E419-R435 IonicContact OE2-NH2 3.37Å
420	G	91.3	Very high	89.2	Confident	34 Å²	34	35.3 Å²	35.3	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-59.5	-16	174.8	0	0	0	0	0	114.3	E418 A422 D423 F424 V485	E418-G420 VanDerWaalsContact C-N 3.25Å; E418-G420 PolarHBondContact O-N 2.91Å; G420-A422 VanDerWaalsContact C-N 3.26Å; G420-A422 PolarHBondContact O-N 3.47Å; G420-D423 PolarHBondContact O-N 3.07Å; G420-F424 PolarHBondContact O-N 3.08Å; G420-V485 WeakPolarHBondContact O-CG1 3.36Å
421	Y	91.5	Very high	88.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-32.5	174.8	-170.7	-111.8	0	0	0	112	P387 P388 I412 L414 E418 E419 F424 L425 C482 V485	P387-Y421 HydrophobicContact CB-CD1 4.04Å; P387-Y421 HydrophobicContact CB-CE1 3.77Å; P387-Y421 HydrophobicContact CB-CE2 4.41Å; P387-Y421 HydrophobicContact CB-CG 4.45Å; P387-Y421 HydrophobicContact CG-CD1 4.04Å; P387-Y421 HydrophobicContact CG-CE1 4.26Å; P387-Y421 HydrophobicContact CG-CG 4.41Å; P388-Y421 WeakPolarHBondContact CD-OH 3.38Å; P388-Y421 WeakPolarHBondContact CG-OH 3.32Å; I412-Y421 HydrophobicContact CD1-CD1 4.06Å; I412-Y421 HydrophobicContact CD1-CE1 3.82Å; L414-Y421 HydrophobicContact CD2-CD1 3.99Å; E418-Y421 WeakPolarHBondContact O-CB 3.06Å; E418-Y421 PolarHBondContact O-N 3.03Å; E419-Y421 PolarHBondContact O-N 2.97Å; Y421-F424 HydrophobicContact CD2-CD1 4.1Å; Y421-F424 AromaticContact CE2-CD1 4Å; Y421-F424 HydrophobicContact CE2-CD1 4Å; Y421-F424 HydrophobicContact CE2-CE1 4.4Å; Y421-F424 PolarHBondContact O-N 2.74Å; Y421-L425 HydrophobicContact CD1-CD1 3.82Å; Y421-L425 HydrophobicContact CD1-CG 4.16Å; Y421-L425 HydrophobicContact CE1-CD1 3.53Å; Y421-L425 HydrophobicContact CE1-CD2 4.09Å; Y421-L425 HydrophobicContact CE1-CG 3.86Å; Y421-L425 HydrophobicContact CE2-CD2 4.43Å; Y421-L425 HydrophobicContact CE2-CG 4.49Å; Y421-L425 VanDerWaalsContact O-CG 3.29Å; Y421-L425 WeakPolarHBondContact O-CG 3.36Å; Y421-L425 PolarHBondContact O-N 2.82Å; Y421-C482 HydrophobicContact CD2-CB 4.21Å; Y421-C482 HydrophobicContact CE2-CB 3.97Å; Y421-V485 VanDerWaalsContact CA-CG1 3.5Å
422	A	90.5	Very high	87.9	Confident	3 Å²	3	43.9 Å²	43.9	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-42.7	175.2	0	0	0	0	0	111.6	Y287 L414 E419 G420 L425 T426	Y287-A422 HydrophobicContact CD1-CB 4.25Å; Y287-A422 HydrophobicContact CD2-CB 4.24Å; Y287-A422 HydrophobicContact CE1-CB 4.36Å; Y287-A422 HydrophobicContact CE2-CB 4.33Å; Y287-A422 HydrophobicContact CG-CB 4.18Å; L414-A422 HydrophobicContact CD1-CB 4.2Å; E419-A422 WeakPolarHBondContact O-CB 3.12Å; E419-A422 PolarHBondContact O-N 2.84Å; G420-A422 VanDerWaalsContact C-N 3.26Å; G420-A422 PolarHBondContact O-N 3.47Å; A422-L425 PolarHBondContact O-N 3.31Å; A422-T426 PolarHBondContact O-N 2.85Å; A422-T426 PolarHBondContact O-OG1 2.99Å
423	D	88.6	Confident	87.6	Confident	95 Å²	95	45 Å²	45	51%	0.508	24%	0.236	S	C	.	.	H	α-helix	trans	-67.8	-40	176.1	-66.7	-20.7	0	0	0	111.4	G420 T426 K427	G420-D423 PolarHBondContact O-N 3.07Å; D423-T426 PolarHBondContact O-N 3.01Å; D423-K427 WeakPolarHBondContact O-CG 3.43Å; D423-K427 PolarHBondContact O-N 3.5Å
424	F	88	Confident	87.4	Confident	64 Å²	64	53.5 Å²	53.5	28%	0.281	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-45.8	174.4	172.5	-96.1	0	0	0	111.8	G420 Y421 T426 K427 S428 V485	G420-F424 PolarHBondContact O-N 3.08Å; Y421-F424 HydrophobicContact CD2-CD1 4.1Å; Y421-F424 AromaticContact CE2-CD1 4Å; Y421-F424 HydrophobicContact CE2-CD1 4Å; Y421-F424 HydrophobicContact CE2-CE1 4.4Å; Y421-F424 PolarHBondContact O-N 2.74Å; F424-T426 VanDerWaalsContact C-N 3.32Å; F424-T426 PolarHBondContact O-N 3.13Å; F424-K427 PolarHBondContact O-N 3.2Å; F424-S428 VanDerWaalsContact O-CB 3.28Å; F424-S428 WeakPolarHBondContact O-CB 3.45Å; F424-S428 PolarHBondContact O-N 2.99Å; F424-S428 PolarHBondContact O-OG 3.39Å; F424-V485 HydrophobicContact CB-CG1 4.17Å; F424-V485 HydrophobicContact CB-CG2 3.91Å; F424-V485 HydrophobicContact CD2-CG2 3.88Å; F424-V485 HydrophobicContact CG-CG2 3.97Å
425	L	85.8	Confident	87.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-42.5	175.9	-71.2	174.2	0	0	0	111.2	F394 Y421 A422 K427 L429 V431 L433	F394-L425 HydrophobicContact CB-CD2 4.01Å; F394-L425 HydrophobicContact CD1-CD1 3.88Å; F394-L425 HydrophobicContact CD1-CD2 3.9Å; F394-L425 HydrophobicContact CD1-CG 4.48Å; F394-L425 HydrophobicContact CD2-CD1 3.8Å; F394-L425 HydrophobicContact CE1-CD1 3.82Å; F394-L425 HydrophobicContact CE2-CD1 3.72Å; F394-L425 HydrophobicContact CG-CD1 3.88Å; F394-L425 HydrophobicContact CG-CD2 3.88Å; F394-L425 HydrophobicContact CZ-CD1 3.74Å; Y421-L425 HydrophobicContact CD1-CD1 3.82Å; Y421-L425 HydrophobicContact CD1-CG 4.16Å; Y421-L425 HydrophobicContact CE1-CD1 3.53Å; Y421-L425 HydrophobicContact CE1-CD2 4.09Å; Y421-L425 HydrophobicContact CE1-CG 3.86Å; Y421-L425 HydrophobicContact CE2-CD2 4.43Å; Y421-L425 HydrophobicContact CE2-CG 4.49Å; Y421-L425 VanDerWaalsContact O-CG 3.29Å; Y421-L425 WeakPolarHBondContact O-CG 3.36Å; Y421-L425 PolarHBondContact O-N 2.82Å; A422-L425 PolarHBondContact O-N 3.31Å; L425-K427 VanDerWaalsContact C-N 3.32Å; L425-K427 PolarHBondContact O-N 3.25Å; L425-L429 HydrophobicContact CD2-CD1 3.67Å; L425-L429 WeakPolarHBondContact O-CB 3.37Å; L425-L429 PolarHBondContact O-N 3.04Å; L425-V431 HydrophobicContact CB-CG2 3.77Å; L425-V431 WeakPolarHBondContact O-CG2 3.34Å; L425-L433 HydrophobicContact CB-CD1 4.04Å; L425-L433 HydrophobicContact CD1-CD1 4.34Å; L425-L433 HydrophobicContact CD1-CD2 4.2Å
426	T	84.7	Confident	87.4	Confident	54 Å²	54	62.8 Å²	62.8	33%	0.331	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-42.6	177.6	-53.4	0	0	0	0	111.6	A422 D423 F424 N430 V431	A422-T426 PolarHBondContact O-N 2.85Å; A422-T426 PolarHBondContact O-OG1 2.99Å; D423-T426 PolarHBondContact O-N 3.01Å; F424-T426 VanDerWaalsContact C-N 3.32Å; F424-T426 PolarHBondContact O-N 3.13Å; T426-N430 VanDerWaalsContact O-CA 3.24Å; T426-N430 WeakPolarHBondContact O-CA 3.29Å; T426-N430 PolarHBondContact O-N 3.41Å; T426-V431 VanDerWaalsContact CA-O 3.24Å; T426-V431 WeakPolarHBondContact CA-O 3.33Å; T426-V431 WeakPolarHBondContact CB-O 3.42Å; T426-V431 PolarHBondContact OG1-O 3.12Å; T426-V431 VanDerWaalsContact OG1-O 3.13Å
427	K	83.1	Confident	87.3	Confident	175 Å²	175	65.5 Å²	65.5	76%	0.761	32%	0.317	S	S	*	.	H	α-helix	trans	-76.6	-41.8	180	-69	173.5	-178	175.7	0	113.6	D423 F424 L425	D423-K427 WeakPolarHBondContact O-CG 3.43Å; D423-K427 PolarHBondContact O-N 3.5Å; F424-K427 PolarHBondContact O-N 3.2Å; L425-K427 VanDerWaalsContact C-N 3.32Å; L425-K427 PolarHBondContact O-N 3.25Å
428	S	77.2	Confident	87.4	Confident	38 Å²	38	65.3 Å²	65.3	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-85.9	-29.8	-172.1	59.2	0	0	0	0	114	P275 F424	P275-S428 VanDerWaalsContact CG-O 3.28Å; P275-S428 WeakPolarHBondContact CG-O 3.35Å; F424-S428 VanDerWaalsContact O-CB 3.28Å; F424-S428 WeakPolarHBondContact O-CB 3.45Å; F424-S428 PolarHBondContact O-N 2.99Å; F424-S428 PolarHBondContact O-OG 3.39Å
429	L	72.7	Confident	87.2	Confident	29 Å²	29	71.7 Å²	71.7	15%	0.152	35%	0.346	C	S	.	.	H	α-helix	trans	-121.8	4.3	-174.8	-57.9	175.2	0	0	0	112.7	V395 L425 V431	V395-L429 HydrophobicContact CG2-CB 4.49Å; V395-L429 HydrophobicContact CG2-CD1 3.82Å; L425-L429 HydrophobicContact CD2-CD1 3.67Å; L425-L429 WeakPolarHBondContact O-CB 3.37Å; L425-L429 PolarHBondContact O-N 3.04Å; L429-V431 HydrophobicContact CB-CG1 4.24Å; L429-V431 HydrophobicContact CB-CG2 4.22Å; L429-V431 PolarHBondContact O-N 3.31Å
430	N	74.5	Confident	87.2	Confident	77 Å²	77	70.1 Å²	70.1	41%	0.412	34%	0.341	S	S	.	.			trans	53.5	37.9	-179	-161.3	23.8	0	0	0	113.7	T426	T426-N430 VanDerWaalsContact O-CA 3.24Å; T426-N430 WeakPolarHBondContact O-CA 3.29Å; T426-N430 PolarHBondContact O-N 3.41Å
431	V	78.1	Confident	87.3	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.024	35%	0.346	C	S	.	.			trans	-103.5	132.6	-178.7	-68.1	0	0	0	0	111.9	V279 M285 F394 L425 T426 L429 L433	V279-V431 HydrophobicContact CG2-CG1 3.49Å; V279-V431 VanDerWaalsContact CG2-CG1 3.49Å; M285-V431 HydrophobicContact CE-CB 3.6Å; M285-V431 HydrophobicContact CE-CG1 3.76Å; M285-V431 HydrophobicContact SD-CB 4.12Å; M285-V431 HydrophobicContact SD-CG1 4.18Å; F394-V431 HydrophobicContact CE1-CG2 4.42Å; L425-V431 HydrophobicContact CB-CG2 3.77Å; L425-V431 WeakPolarHBondContact O-CG2 3.34Å; T426-V431 VanDerWaalsContact CA-O 3.24Å; T426-V431 WeakPolarHBondContact CA-O 3.33Å; T426-V431 WeakPolarHBondContact CB-O 3.42Å; T426-V431 PolarHBondContact OG1-O 3.12Å; T426-V431 VanDerWaalsContact OG1-O 3.13Å; L429-V431 HydrophobicContact CB-CG1 4.24Å; L429-V431 HydrophobicContact CB-CG2 4.22Å; L429-V431 PolarHBondContact O-N 3.31Å; V431-L433 HydrophobicContact CB-CD1 4.41Å; V431-L433 HydrophobicContact CG2-CD1 3.73Å
432	K	84.6	Confident	87.3	Confident	179 Å²	179	78.6 Å²	78.6	78%	0.778	38%	0.378	S	S	*	.			trans	-92.5	114.2	175	-66.7	-179.2	-178.6	174.9	0	110.7
433	L	89.9	Confident	87.5	Confident	23 Å²	23	84.2 Å²	84.2	12%	0.12	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.5	173.9	-63.5	88.7	0	0	0	111.2	M285 Y287 F394 I412 L425 V431	M285-L433 HydrophobicContact CB-CG 4.21Å; M285-L433 WeakPolarHBondContact O-CA 3.22Å; Y287-L433 HydrophobicContact CD1-CB 3.81Å; Y287-L433 HydrophobicContact CE1-CB 4.48Å; F394-L433 HydrophobicContact CZ-CD2 3.88Å; I412-L433 HydrophobicContact CG2-CD2 4.02Å; L425-L433 HydrophobicContact CB-CD1 4.04Å; L425-L433 HydrophobicContact CD1-CD1 4.34Å; L425-L433 HydrophobicContact CD1-CD2 4.2Å; V431-L433 HydrophobicContact CB-CD1 4.41Å; V431-L433 HydrophobicContact CG2-CD1 3.73Å
434	R	93	Very high	87.7	Confident	180 Å²	180	82.8 Å²	82.8	68%	0.679	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.8	173.8	-66.2	-176.2	179.8	-169.4	-1	111.3	M285 Y286 Y287 L436	M285-R434 PolarHBondContact O-N 3.49Å; Y286-R434 CarbonylContact C-O 3.52Å; Y286-R434 WeakPolarHBondContact CA-O 3.32Å; Y286-R434 HydrophobicContact CD1-CB 3.81Å; Y286-R434 HydrophobicContact CE1-CB 4.14Å; Y287-R434 PolarHBondContact N-O 3.47Å; R434-L436 PolarHBondContact O-N 3.39Å
435	R	95.3	Very high	88	Confident	141 Å²	141	80.2 Å²	80.2	53%	0.532	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.3	176.9	-165	176.3	-178.4	147.4	7.4	110.9	Y287 E419	Y287-R435 HydrophobicContact CD1-CB 4.31Å; Y287-R435 HydrophobicContact CD2-CG 4.46Å; Y287-R435 HydrophobicContact CE1-CB 3.61Å; Y287-R435 HydrophobicContact CE1-CG 4.18Å; Y287-R435 HydrophobicContact CE2-CB 4.22Å; Y287-R435 HydrophobicContact CE2-CG 3.86Å; Y287-R435 CarbonylContact O-C 3.49Å; Y287-R435 WeakPolarHBondContact O-CA 3.49Å; E419-R435 IonicContact OE1-CZ 3.14Å; E419-R435 VanDerWaalsContact OE1-CZ 3.28Å; E419-R435 IonicContact OE1-NH1 3.09Å; E419-R435 PolarHBondContact OE1-NH1 3.23Å; E419-R435 IonicContact OE1-NH2 2.92Å; E419-R435 PolarHBondContact OE1-NH2 2.97Å; E419-R435 IonicContact OE2-NH2 3.37Å
436	L	94.5	Very high	88.4	Confident	54 Å²	54	83.3 Å²	83.3	28%	0.283	40%	0.402	S	S	.	.			trans	-106.9	136.5	167.8	-71.6	179.8	0	0	0	109.9	Y286 Y287 A288 L411 R434	Y286-L436 HydrophobicContact CD1-CD1 3.72Å; Y286-L436 HydrophobicContact CD1-CD2 3.77Å; Y286-L436 HydrophobicContact CD1-CG 3.55Å; Y286-L436 HydrophobicContact CD2-CD1 4.25Å; Y286-L436 HydrophobicContact CE1-CD1 4.47Å; Y286-L436 HydrophobicContact CE1-CD2 4.13Å; Y286-L436 HydrophobicContact CE1-CG 4.37Å; Y286-L436 HydrophobicContact CG-CD1 3.58Å; Y286-L436 HydrophobicContact CG-CD2 4.49Å; Y286-L436 HydrophobicContact CG-CG 3.87Å; Y287-L436 PolarHBondContact O-N 3.35Å; A288-L436 WeakPolarHBondContact CB-O 3.41Å; L411-L436 HydrophobicContact CD1-CD1 4.28Å; R434-L436 PolarHBondContact O-N 3.39Å
437	N	93.3	Very high	88.9	Confident	135 Å²	135	85.8 Å²	85.8	72%	0.722	41%	0.408	S	S	*	.			trans	-91.7	110.3	174.4	-169.5	0.8	0	0	0	110
438	I	93	Very high	89.5	Confident	26 Å²	26	78.3 Å²	78.3	13%	0.133	38%	0.376	C	S	.	.			trans	-106.5	94.2	172.2	-54.7	178.2	0	0	0	107.5	A288 A298 F302 L411 L413 C440	A288-I438 HydrophobicContact CB-CD1 3.68Å; A288-I438 HydrophobicContact CB-CG1 3.93Å; A298-I438 HydrophobicContact CB-CB 4.45Å; A298-I438 HydrophobicContact CB-CG2 3.81Å; F302-I438 HydrophobicContact CD2-CD1 4.4Å; L411-I438 HydrophobicContact CD2-CD1 4.09Å; L413-I438 HydrophobicContact CD2-CD1 3.91Å; I438-C440 PolarHBondContact O-N 3.16Å
439	Q	89.8	Confident	90.3	Very high	134 Å²	134	79.2 Å²	79.2	63%	0.626	37%	0.373	S	S	*	.			trans	-64.6	124.6	-179.9	-67.7	177.9	-16.3	0	0	110.9	K301	K301-Q439 PolarHBondContact NZ-O 3.5Å
440	C	91.2	Very high	91.3	Very high	27 Å²	27	81.5 Å²	81.5	18%	0.182	39%	0.386	C	S	.	.			trans	-129.6	84.2	175.6	-75.7	0	0	0	0	109.5	A294 L297 I438	A294-C440 HydrophobicContact CB-CB 3.7Å; L297-C440 HydrophobicContact CD2-CB 4.05Å; I438-C440 PolarHBondContact O-N 3.16Å
441	P	93.2	Very high	92.3	Very high	68 Å²	68	84 Å²	84	44%	0.442	39%	0.393	S	S	.	.			trans	-51.9	143.2	173.3	-25.5	32.4	0	0	0	111.7	E443 L444 C445	P441-E443 VanDerWaalsContact C-N 3.26Å; P441-E443 PolarHBondContact O-N 3.1Å; P441-L444 HydrophobicContact CG-CD1 4.36Å; P441-L444 PolarHBondContact O-N 3.17Å; P441-L444 VanDerWaalsContact O-N 3.07Å; P441-C445 PolarHBondContact O-N 3.09Å; P441-C445 PolarHBondContact O-SG 3.48Å
442	E	91.7	Very high	93.1	Very high	145 Å²	145	83.9 Å²	83.9	68%	0.678	39%	0.392	S	S	*	.	H	α-helix	trans	-57.7	-39.6	-177.2	-174.5	172.2	-171.4	0	0	112.2	L444 C445 L446	E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 3.45Å; E442-C445 CarbonylContact O-C 3.57Å; E442-C445 WeakPolarHBondContact O-CA 3.47Å; E442-C445 VanDerWaalsContact O-CB 3.26Å; E442-C445 WeakPolarHBondContact O-CB 3.49Å; E442-C445 PolarHBondContact O-N 3.38Å; E442-L446 HydrophobicContact CG-CD1 4.46Å; E442-L446 WeakPolarHBondContact O-CG 3.48Å; E442-L446 PolarHBondContact O-N 3.42Å
443	E	94.4	Very high	93.6	Very high	120 Å²	120	76.6 Å²	76.6	56%	0.561	36%	0.36	S	S	*	.	H	α-helix	trans	-56.8	-41.3	176.8	-164.9	-160.2	151.8	0	0	112.5	P441 C445 L446 K447	P441-E443 VanDerWaalsContact C-N 3.26Å; P441-E443 PolarHBondContact O-N 3.1Å; E443-C445 VanDerWaalsContact C-N 3.32Å; E443-L446 PolarHBondContact O-N 3.08Å; E443-K447 WeakPolarHBondContact O-CG 3.32Å; E443-K447 PolarHBondContact O-N 3.15Å; E443-K447 WeakPolarHBondContact OE1-CE 3.17Å; E443-K447 IonicContact OE1-NZ 2.64Å; E443-K447 PolarHBondContact OE1-NZ 3.43Å
444	L	94.6	Very high	93.8	Very high	65 Å²	65	77.8 Å²	77.8	34%	0.34	37%	0.373	S	S	.	.	H	α-helix	trans	-70.6	-31.4	176.1	-66.7	-175.3	0	0	0	111.8	L297 P441 E442 K447 M448	L297-L444 HydrophobicContact CD2-CB 3.66Å; P441-L444 HydrophobicContact CG-CD1 4.36Å; P441-L444 PolarHBondContact O-N 3.17Å; P441-L444 VanDerWaalsContact O-N 3.07Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 3.45Å; L444-K447 HydrophobicContact CD2-CD 4.33Å; L444-M448 WeakPolarHBondContact O-CB 3.4Å; L444-M448 PolarHBondContact O-N 3.13Å
445	C	93	Very high	93.8	Very high	11 Å²	11	71.3 Å²	71.3	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-66.5	-43.7	175.3	-57.8	0	0	0	0	110.7	Q293 A294 P441 E442 E443 M448 R449	Q293-C445 HydrophobicContact CG-CB 4.49Å; A294-C445 VanDerWaalsContact CB-SG 3.54Å; P441-C445 PolarHBondContact O-N 3.09Å; P441-C445 PolarHBondContact O-SG 3.48Å; E442-C445 CarbonylContact O-C 3.57Å; E442-C445 WeakPolarHBondContact O-CA 3.47Å; E442-C445 VanDerWaalsContact O-CB 3.26Å; E442-C445 WeakPolarHBondContact O-CB 3.49Å; E442-C445 PolarHBondContact O-N 3.38Å; E443-C445 VanDerWaalsContact C-N 3.32Å; C445-M448 PolarHBondContact O-N 2.86Å; C445-R449 WeakPolarHBondContact O-CB 3.36Å; C445-R449 PolarHBondContact O-N 3.21Å
446	L	94.1	Very high	93.7	Very high	65 Å²	65	64.8 Å²	64.8	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-49.5	174	-64.9	172.8	0	0	0	111	E442 E443 M448 R449 D450	E442-L446 HydrophobicContact CG-CD1 4.46Å; E442-L446 WeakPolarHBondContact O-CG 3.48Å; E442-L446 PolarHBondContact O-N 3.42Å; E443-L446 PolarHBondContact O-N 3.08Å; L446-M448 VanDerWaalsContact C-N 3.3Å; L446-M448 PolarHBondContact O-N 3.42Å; L446-R449 WeakPolarHBondContact O-CB 3.41Å; L446-R449 PolarHBondContact O-N 2.91Å; L446-R449 VanDerWaalsContact O-N 3.16Å; L446-D450 PolarHBondContact O-N 3.39Å
447	K	95.5	Very high	93.6	Very high	106 Å²	106	63.2 Å²	63.2	46%	0.461	32%	0.32	S	S	.	.	H	α-helix	trans	-57.2	-40.3	175.4	-75.7	171.3	171.7	168.9	0	112.6	E443 L444 K451	E443-K447 WeakPolarHBondContact O-CG 3.32Å; E443-K447 PolarHBondContact O-N 3.15Å; E443-K447 WeakPolarHBondContact OE1-CE 3.17Å; E443-K447 IonicContact OE1-NZ 2.64Å; E443-K447 PolarHBondContact OE1-NZ 3.43Å; L444-K447 HydrophobicContact CD2-CD 4.33Å; K447-K451 VanDerWaalsContact O-CG 3.3Å; K447-K451 WeakPolarHBondContact O-CG 3.43Å; K447-K451 PolarHBondContact O-N 3.19Å; K447-K451 VanDerWaalsContact O-N 3.1Å
448	M	95	Very high	93.5	Very high	18 Å²	18	63.1 Å²	63.1	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-46.7	176.5	-179.3	60.1	80.9	0	0	111.4	F296 L297 V300 Y327 L444 C445 L446 D450 K451 L452	F296-M448 HydrophobicContact CD1-CG 4.47Å; F296-M448 HydrophobicContact CD1-SD 4.18Å; F296-M448 HydrophobicContact CE1-SD 4.32Å; L297-M448 HydrophobicContact CB-CB 4.42Å; L297-M448 HydrophobicContact CB-CE 4.46Å; L297-M448 HydrophobicContact CB-CG 4.31Å; L297-M448 HydrophobicContact CD1-CB 4.42Å; L297-M448 HydrophobicContact CD1-CE 3.76Å; V300-M448 HydrophobicContact CB-CE 4.09Å; V300-M448 HydrophobicContact CG1-CE 4.15Å; V300-M448 HydrophobicContact CG2-CE 4.02Å; Y327-M448 HydrophobicContact CE1-SD 4.43Å; Y327-M448 HydrophobicContact CE2-SD 4.47Å; Y327-M448 PolarHBondContact OH-SD 3.17Å; Y327-M448 VanDerWaalsContact OH-SD 3.36Å; L444-M448 WeakPolarHBondContact O-CB 3.4Å; L444-M448 PolarHBondContact O-N 3.13Å; C445-M448 PolarHBondContact O-N 2.86Å; L446-M448 VanDerWaalsContact C-N 3.3Å; L446-M448 PolarHBondContact O-N 3.42Å; M448-D450 VanDerWaalsContact C-N 3.3Å; M448-D450 PolarHBondContact O-N 3.28Å; M448-K451 PolarHBondContact O-N 3.39Å; M448-L452 HydrophobicContact CG-CD1 4.26Å; M448-L452 WeakPolarHBondContact O-CG 3.36Å; M448-L452 PolarHBondContact O-N 3.4Å; M448-L452 HydrophobicContact SD-CG 4.37Å
449	R	94.3	Very high	93.5	Very high	56 Å²	56	62.6 Å²	62.6	21%	0.211	32%	0.318	C	S	.	.	H	α-helix	trans	-55	-47.4	175.9	-179.3	-169.4	71.3	-177.1	-1.2	111	C445 L446 K451 L452 R453	C445-R449 WeakPolarHBondContact O-CB 3.36Å; C445-R449 PolarHBondContact O-N 3.21Å; L446-R449 WeakPolarHBondContact O-CB 3.41Å; L446-R449 PolarHBondContact O-N 2.91Å; L446-R449 VanDerWaalsContact O-N 3.16Å; R449-K451 PolarHBondContact O-N 2.88Å; R449-L452 PolarHBondContact O-N 3.15Å; R449-R453 WeakPolarHBondContact O-CB 3.48Å; R449-R453 WeakPolarHBondContact O-CG 3.26Å; R449-R453 PolarHBondContact O-N 3.19Å
450	D	94.7	Very high	93.5	Very high	78 Å²	78	57.6 Å²	57.6	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-68.3	-37	-176.7	-61.4	-18.7	0	0	0	111.3	L446 M448 L452 R453 A454	L446-D450 PolarHBondContact O-N 3.39Å; M448-D450 VanDerWaalsContact C-N 3.3Å; M448-D450 PolarHBondContact O-N 3.28Å; D450-L452 PolarHBondContact O-N 3.31Å; D450-R453 PolarHBondContact O-N 3.49Å; D450-A454 WeakPolarHBondContact O-CB 3.4Å; D450-A454 PolarHBondContact O-N 3.07Å
451	K	94.9	Very high	93.5	Very high	128 Å²	128	60.6 Å²	60.6	56%	0.557	30%	0.304	S	S	*	.	H	α-helix	trans	-60.5	-43.7	170.3	-76.2	176.6	-178.4	-176	0	112.8	K447 M448 R449 R455	K447-K451 VanDerWaalsContact O-CG 3.3Å; K447-K451 WeakPolarHBondContact O-CG 3.43Å; K447-K451 PolarHBondContact O-N 3.19Å; K447-K451 VanDerWaalsContact O-N 3.1Å; M448-K451 PolarHBondContact O-N 3.39Å; R449-K451 PolarHBondContact O-N 2.88Å; K451-R455 WeakPolarHBondContact O-CG 3.49Å; K451-R455 PolarHBondContact O-N 3.27Å
452	L	95.1	Very high	93.5	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-67.6	-41.7	178	-67.8	172.8	0	0	0	111.5	F296 Y327 M448 R449 D450 R455 A456 C499	F296-L452 HydrophobicContact CD1-CD1 4.06Å; F296-L452 HydrophobicContact CD1-CD2 4.4Å; F296-L452 HydrophobicContact CE1-CD2 4.09Å; Y327-L452 HydrophobicContact CD2-CD2 3.44Å; Y327-L452 VanDerWaalsContact CD2-CD2 3.44Å; Y327-L452 HydrophobicContact CE2-CD2 3.64Å; Y327-L452 HydrophobicContact CE2-CG 4.48Å; Y327-L452 HydrophobicContact CG-CD2 4.23Å; M448-L452 HydrophobicContact CG-CD1 4.26Å; M448-L452 WeakPolarHBondContact O-CG 3.36Å; M448-L452 PolarHBondContact O-N 3.4Å; M448-L452 HydrophobicContact SD-CG 4.37Å; R449-L452 PolarHBondContact O-N 3.15Å; D450-L452 PolarHBondContact O-N 3.31Å; L452-R455 PolarHBondContact O-N 3.39Å; L452-A456 PolarHBondContact O-N 2.92Å; L452-A456 VanDerWaalsContact O-N 3.09Å; L452-C499 WeakPolarHBondContact CD1-O 3.4Å
453	R	94.6	Very high	93.6	Very high	27 Å²	27	51.7 Å²	51.7	10%	0.102	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-43.5	175.2	-76.2	-178.9	164	-179.6	-7.1	111.9	R449 D450 R455 A456 A457 G501 L502 L503 V520	R449-R453 WeakPolarHBondContact O-CB 3.48Å; R449-R453 WeakPolarHBondContact O-CG 3.26Å; R449-R453 PolarHBondContact O-N 3.19Å; D450-R453 PolarHBondContact O-N 3.49Å; R453-R455 VanDerWaalsContact C-N 3.32Å; R453-R455 PolarHBondContact O-N 3.47Å; R453-A456 CarbonylContact O-C 3.55Å; R453-A456 PolarHBondContact O-N 2.9Å; R453-A456 VanDerWaalsContact O-N 3.16Å; R453-A457 WeakPolarHBondContact O-CB 3.43Å; R453-A457 PolarHBondContact O-N 3.5Å; R453-G501 WeakPolarHBondContact CG-O 3.3Å; R453-L502 PolarHBondContact NE-O 3.09Å; R453-L502 PolarHBondContact NH2-O 2.95Å; R453-L503 HydrophobicContact CB-CD2 3.83Å; R453-L503 HydrophobicContact CG-CD2 3.95Å; R453-V520 PolarHBondContact NH2-O 2.92Å
454	A	94.1	Very high	93.6	Very high	47 Å²	47	48 Å²	48	39%	0.388	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-41.8	176.2	0	0	0	0	0	111.9	D450 A456 A457 N458	D450-A454 WeakPolarHBondContact O-CB 3.4Å; D450-A454 PolarHBondContact O-N 3.07Å; A454-A456 PolarHBondContact O-N 2.62Å; A454-A457 PolarHBondContact O-N 3.33Å; A454-N458 VanDerWaalsContact O-CG 3.25Å; A454-N458 PolarHBondContact O-N 3.36Å; A454-N458 PolarHBondContact O-ND2 2.92Å
455	R	93.8	Very high	93.5	Very high	44 Å²	44	47 Å²	47	17%	0.166	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-42.3	174.3	-72.5	174.5	61.4	135.6	-1.7	112.7	S326 Y327 K451 L452 R453 A457 N458 S459 I462	S326-R455 VanDerWaalsContact C-NH2 3.33Å; S326-R455 PolarHBondContact O-NH2 3Å; S326-R455 PolarHBondContact OG-NH2 3.41Å; Y327-R455 VanDerWaalsContact CA-NH1 3.29Å; K451-R455 WeakPolarHBondContact O-CG 3.49Å; K451-R455 PolarHBondContact O-N 3.27Å; L452-R455 PolarHBondContact O-N 3.39Å; R453-R455 VanDerWaalsContact C-N 3.32Å; R453-R455 PolarHBondContact O-N 3.47Å; R455-A457 VanDerWaalsContact C-N 3.32Å; R455-N458 PolarHBondContact O-N 2.77Å; R455-S459 PolarHBondContact O-N 3.46Å; R455-I462 HydrophobicContact CB-CD1 4.29Å; R455-I462 HydrophobicContact CB-CG2 4.23Å
456	A	92.7	Very high	93.7	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-31.9	176.9	0	0	0	0	0	112.1	L452 R453 A454 L463 L503	L452-A456 PolarHBondContact O-N 2.92Å; L452-A456 VanDerWaalsContact O-N 3.09Å; R453-A456 CarbonylContact O-C 3.55Å; R453-A456 PolarHBondContact O-N 2.9Å; R453-A456 VanDerWaalsContact O-N 3.16Å; A454-A456 PolarHBondContact O-N 2.62Å; A456-L463 HydrophobicContact CB-CB 4.4Å; A456-L463 HydrophobicContact CB-CD1 4.24Å; A456-L503 HydrophobicContact CB-CD1 4.27Å; A456-L503 HydrophobicContact CB-CG 4.16Å
457	A	92.8	Very high	93.7	Very high	22 Å²	22	44.7 Å²	44.7	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-68.8	-34.5	175.8	0	0	0	0	0	112.3	R453 A454 R455 L503 V524 I529	R453-A457 WeakPolarHBondContact O-CB 3.43Å; R453-A457 PolarHBondContact O-N 3.5Å; A454-A457 PolarHBondContact O-N 3.33Å; R455-A457 VanDerWaalsContact C-N 3.32Å; A457-L503 HydrophobicContact CB-CD1 4.4Å; A457-V524 HydrophobicContact CB-CG1 4.18Å; A457-V524 HydrophobicContact CB-CG2 4.22Å; A457-I529 WeakPolarHBondContact O-CD1 3.4Å; A457-I529 WeakPolarHBondContact O-CG1 3.35Å; A457-I529 WeakPolarHBondContact O-CG2 3.42Å
458	N	91.4	Very high	93.6	Very high	133 Å²	133	44.2 Å²	44.2	71%	0.711	22%	0.222	S	C	*	.	H	α-helix	trans	-86.3	-15.1	-176.6	-66.2	-14.9	0	0	0	114.4	A454 R455	A454-N458 VanDerWaalsContact O-CG 3.25Å; A454-N458 PolarHBondContact O-N 3.36Å; A454-N458 PolarHBondContact O-ND2 2.92Å; R455-N458 PolarHBondContact O-N 2.77Å
459	S	91.8	Very high	93.7	Very high	15 Å²	15	43.3 Å²	43.3	11%	0.105	22%	0.217	C	C	.	.			trans	-144.3	119.5	-176	176.2	0	0	0	0	112	R455 E461 I462 L463	R455-S459 PolarHBondContact O-N 3.46Å; S459-E461 PolarHBondContact O-N 3.14Å; S459-E461 PolarHBondContact OG-N 3.26Å; S459-I462 PolarHBondContact O-N 3.16Å; S459-L463 PolarHBondContact O-N 2.98Å
460	R	91.4	Very high	93.8	Very high	28 Å²	28	40.7 Å²	40.7	11%	0.106	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-36.1	175.9	-177.2	66.8	-174.9	-164.6	2.4	112.2	L463 E464 T526 I529 P530 Y531	R460-L463 PolarHBondContact O-N 2.92Å; R460-E464 IonicContact CZ-OE1 2.87Å; R460-E464 IonicContact NE-OE1 3.25Å; R460-E464 PolarHBondContact NE-OE1 3.02Å; R460-E464 IonicContact NH2-OE1 3.78Å; R460-E464 PolarHBondContact NH2-OE1 2.91Å; R460-E464 WeakPolarHBondContact O-CG 3.41Å; R460-E464 PolarHBondContact O-N 3.45Å; R460-T526 PolarHBondContact NH1-O 3.22Å; R460-I529 HydrophobicContact CB-CG2 4.08Å; R460-P530 WeakPolarHBondContact CB-O 3.25Å; R460-P530 PolarHBondContact N-O 3.01Å; R460-Y531 HydrophobicContact CB-CD1 4.18Å; R460-Y531 HydrophobicContact CB-CD2 4.36Å; R460-Y531 HydrophobicContact CB-CE1 4.36Å; R460-Y531 HydrophobicContact CB-CG 4.15Å; R460-Y531 HydrophobicContact CG-CD1 4.14Å; R460-Y531 HydrophobicContact CG-CD2 3.81Å; R460-Y531 HydrophobicContact CG-CE1 3.94Å; R460-Y531 HydrophobicContact CG-CE2 3.65Å; R460-Y531 HydrophobicContact CG-CG 4.06Å
461	E	91.5	Very high	93.8	Very high	90 Å²	90	38.3 Å²	38.3	42%	0.421	20%	0.196	S	C	.	.	H	α-helix	trans	-61	-48.6	177.6	-63.1	177.5	-173	0	0	111	S459 E464 L465 Y531	S459-E461 PolarHBondContact O-N 3.14Å; S459-E461 PolarHBondContact OG-N 3.26Å; E461-E464 PolarHBondContact O-N 2.85Å; E461-L465 WeakPolarHBondContact O-CB 3.39Å; E461-L465 PolarHBondContact O-N 3.25Å; E461-Y531 HydrophobicContact CG-CD1 3.42Å; E461-Y531 VanDerWaalsContact CG-CD1 3.42Å; E461-Y531 HydrophobicContact CG-CE1 3.68Å
462	I	93.2	Very high	93.7	Very high	21 Å²	21	32.6 Å²	32.6	11%	0.108	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-41	178.9	-61.8	179	0	0	0	110.7	Y323 R455 S459 L465 G466	Y323-I462 HydrophobicContact CE2-CG2 4.03Å; R455-I462 HydrophobicContact CB-CD1 4.29Å; R455-I462 HydrophobicContact CB-CG2 4.23Å; S459-I462 PolarHBondContact O-N 3.16Å; I462-L465 PolarHBondContact O-N 3.24Å; I462-G466 PolarHBondContact O-N 3.3Å
463	L	93.7	Very high	93.7	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-51	176.4	175.5	63.5	0	0	0	112	A456 S459 R460 T467 L503 T526 I529	A456-L463 HydrophobicContact CB-CB 4.4Å; A456-L463 HydrophobicContact CB-CD1 4.24Å; S459-L463 PolarHBondContact O-N 2.98Å; R460-L463 PolarHBondContact O-N 2.92Å; L463-T467 PolarHBondContact O-N 2.84Å; L463-T467 PolarHBondContact O-OG1 3.31Å; L463-L503 HydrophobicContact CD1-CB 4.29Å; L463-L503 HydrophobicContact CD1-CD1 3.86Å; L463-L503 HydrophobicContact CD1-CG 4.09Å; L463-T526 HydrophobicContact CD2-CG2 4.25Å; L463-I529 HydrophobicContact CD2-CD1 4.01Å
464	E	92.9	Very high	93.6	Very high	41 Å²	41	31.5 Å²	31.5	19%	0.192	17%	0.169	C	C	.	.	H	α-helix	trans	-68.7	-38.2	-180	-71.5	-163.2	-179.5	0	0	111.9	R460 E461 T467 K468 Y531	R460-E464 IonicContact CZ-OE1 2.87Å; R460-E464 IonicContact NE-OE1 3.25Å; R460-E464 PolarHBondContact NE-OE1 3.02Å; R460-E464 IonicContact NH2-OE1 3.78Å; R460-E464 PolarHBondContact NH2-OE1 2.91Å; R460-E464 WeakPolarHBondContact O-CG 3.41Å; R460-E464 PolarHBondContact O-N 3.45Å; E461-E464 PolarHBondContact O-N 2.85Å; E464-T467 PolarHBondContact O-N 3.39Å; E464-K468 VanDerWaalsContact O-CB 3.27Å; E464-K468 WeakPolarHBondContact O-CB 3.24Å; E464-K468 WeakPolarHBondContact O-CD 3.36Å; E464-K468 WeakPolarHBondContact O-CG 3.43Å; E464-K468 PolarHBondContact O-N 3.23Å; E464-K468 IonicContact OE2-NZ 2.62Å; E464-K468 PolarHBondContact OE2-NZ 2.91Å; E464-K468 VanDerWaalsContact OE2-NZ 3.14Å; E464-Y531 PolarHBondContact OE1-OH 3.34Å; E464-Y531 PolarHBondContact OE2-OH 3.36Å
465	L	93.6	Very high	93.5	Very high	45 Å²	45	33 Å²	33	24%	0.236	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-46.3	177.4	-174.6	60	0	0	0	111.3	D322 Y323 E461 I462 T467 K468 A469	D322-L465 HydrophobicContact CB-CD1 3.9Å; D322-L465 HydrophobicContact CB-CD2 4.06Å; D322-L465 HydrophobicContact CB-CG 4.46Å; Y323-L465 HydrophobicContact CD2-CB 4.47Å; Y323-L465 HydrophobicContact CD2-CG 4.25Å; E461-L465 WeakPolarHBondContact O-CB 3.39Å; E461-L465 PolarHBondContact O-N 3.25Å; I462-L465 PolarHBondContact O-N 3.24Å; L465-T467 PolarHBondContact O-N 2.89Å; L465-K468 PolarHBondContact O-N 2.72Å; L465-A469 WeakPolarHBondContact O-CB 3.16Å; L465-A469 PolarHBondContact O-N 3.13Å
466	G	95.7	Very high	93.3	Very high	2 Å²	2	31 Å²	31	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-43.4	175.9	0	0	0	0	0	112.5	I462 A469 F470	I462-G466 PolarHBondContact O-N 3.3Å; G466-A469 PolarHBondContact O-N 3.29Å; G466-F470 PolarHBondContact O-N 3.34Å
467	T	94.9	Very high	93.2	Very high	25 Å²	25	31.3 Å²	31.3	15%	0.153	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-48.4	175.2	-53.6	0	0	0	0	111.4	L463 E464 L465 A469 F470 V471 P506	L463-T467 PolarHBondContact O-N 2.84Å; L463-T467 PolarHBondContact O-OG1 3.31Å; E464-T467 PolarHBondContact O-N 3.39Å; L465-T467 PolarHBondContact O-N 2.89Å; T467-A469 VanDerWaalsContact C-N 3.3Å; T467-A469 PolarHBondContact O-N 2.92Å; T467-F470 PolarHBondContact O-N 3.03Å; T467-V471 WeakPolarHBondContact O-CG2 3.46Å; T467-V471 PolarHBondContact O-N 2.66Å; T467-V471 VanDerWaalsContact O-N 3.08Å; T467-P506 HydrophobicContact CG2-CB 3.96Å
468	K	94.5	Very high	93	Very high	96 Å²	96	33.8 Å²	33.8	42%	0.417	17%	0.171	S	C	.	.	H	α-helix	trans	-65.6	-34.1	179	-72.8	167.5	177.7	158.1	0	111.6	R319 E464 L465 G472	R319-K468 WeakPolarHBondContact CD-O 3.33Å; R319-K468 PolarHBondContact NH1-O 3.46Å; R319-K468 VanDerWaalsContact NH1-O 3.15Å; E464-K468 VanDerWaalsContact O-CB 3.27Å; E464-K468 WeakPolarHBondContact O-CB 3.24Å; E464-K468 WeakPolarHBondContact O-CD 3.36Å; E464-K468 WeakPolarHBondContact O-CG 3.43Å; E464-K468 PolarHBondContact O-N 3.23Å; E464-K468 IonicContact OE2-NZ 2.62Å; E464-K468 PolarHBondContact OE2-NZ 2.91Å; E464-K468 VanDerWaalsContact OE2-NZ 3.14Å; L465-K468 PolarHBondContact O-N 2.72Å; K468-G472 PolarHBondContact O-N 3.04Å
469	A	95.8	Very high	92.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-45.4	176.7	0	0	0	0	0	111.5	R319 Y323 L465 G466 T467 G472 Y473 F500	R319-A469 HydrophobicContact CB-CB 4.05Å; R319-A469 WeakPolarHBondContact O-CB 3.32Å; Y323-A469 HydrophobicContact CD1-CB 4.39Å; Y323-A469 HydrophobicContact CG-CB 4.16Å; L465-A469 WeakPolarHBondContact O-CB 3.16Å; L465-A469 PolarHBondContact O-N 3.13Å; G466-A469 PolarHBondContact O-N 3.29Å; T467-A469 VanDerWaalsContact C-N 3.3Å; T467-A469 PolarHBondContact O-N 2.92Å; A469-G472 PolarHBondContact O-N 2.69Å; A469-Y473 WeakPolarHBondContact O-CB 3.42Å; A469-Y473 PolarHBondContact O-N 3.26Å; A469-F500 HydrophobicContact CB-CD1 4.26Å; A469-F500 HydrophobicContact CB-CE1 3.9Å
470	F	96.5	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-48.2	174.6	179.8	-93.7	0	0	0	112	G466 T467 G472 Y473 I474 L496 A497 F500 L502 F505 P506 M508 L511	G466-F470 PolarHBondContact O-N 3.34Å; T467-F470 PolarHBondContact O-N 3.03Å; F470-G472 VanDerWaalsContact C-N 3.3Å; F470-G472 PolarHBondContact O-N 2.91Å; F470-Y473 WeakPolarHBondContact O-CB 3.36Å; F470-Y473 PolarHBondContact O-N 3.37Å; F470-Y473 VanDerWaalsContact O-N 3.14Å; F470-I474 HydrophobicContact CD1-CG1 4.24Å; F470-I474 HydrophobicContact CE1-CD1 4.46Å; F470-I474 HydrophobicContact CE1-CG1 3.87Å; F470-I474 HydrophobicContact CE2-CD1 4.43Å; F470-I474 HydrophobicContact CE2-CG1 4.44Å; F470-I474 HydrophobicContact CZ-CD1 4.09Å; F470-I474 HydrophobicContact CZ-CG1 3.99Å; F470-I474 WeakPolarHBondContact O-CG1 3.16Å; F470-I474 PolarHBondContact O-N 2.99Å; F470-L496 HydrophobicContact CD2-CG 4.5Å; F470-L496 HydrophobicContact CE2-CB 4.3Å; F470-L496 HydrophobicContact CE2-CD2 3.94Å; F470-L496 HydrophobicContact CE2-CG 4.02Å; F470-A497 HydrophobicContact CE2-CB 3.95Å; F470-A497 HydrophobicContact CZ-CB 4.19Å; F470-F500 HydrophobicContact CB-CB 4.46Å; F470-F500 HydrophobicContact CB-CD1 3.88Å; F470-F500 HydrophobicContact CB-CE1 4.25Å; F470-F500 HydrophobicContact CB-CG 4.1Å; F470-F500 HydrophobicContact CD2-CB 4.28Å; F470-F500 AromaticContact CD2-CD2 3.83Å; F470-F500 HydrophobicContact CD2-CD2 3.83Å; F470-F500 HydrophobicContact CD2-CE2 4.24Å; F470-F500 AromaticContact CD2-CG 3.96Å; F470-F500 HydrophobicContact CD2-CG 3.96Å; F470-L502 HydrophobicContact CB-CD1 3.92Å; F470-L502 HydrophobicContact CB-CD2 4.42Å; F470-L502 HydrophobicContact CD1-CD1 4Å; F470-L502 HydrophobicContact CD2-CD1 3.94Å; F470-L502 HydrophobicContact CE1-CD1 4.49Å; F470-L502 HydrophobicContact CE2-CD1 4.45Å; F470-L502 HydrophobicContact CG-CD1 3.68Å; F470-F505 HydrophobicContact CE1-CZ 4.36Å; F470-F505 HydrophobicContact CZ-CE2 4.31Å; F470-F505 HydrophobicContact CZ-CZ 4.17Å; F470-P506 HydrophobicContact CD1-CG 3.49Å; F470-P506 VanDerWaalsContact CD1-CG 3.49Å; F470-P506 HydrophobicContact CE1-CG 3.77Å; F470-M508 HydrophobicContact CE1-SD 4.36Å; F470-L511 HydrophobicContact CE1-CD1 4.07Å; F470-L511 HydrophobicContact CZ-CD1 4.43Å
471	V	94.7	Very high	91.5	Very high	29 Å²	29	35 Å²	35	18%	0.176	18%	0.177	C	C	.	.	H	α-helix	trans	-58.7	-44.8	176.3	173.2	0	0	0	0	110.9	T467 Y473 I474 Q475 P506 M508	T467-V471 WeakPolarHBondContact O-CG2 3.46Å; T467-V471 PolarHBondContact O-N 2.66Å; T467-V471 VanDerWaalsContact O-N 3.08Å; V471-Y473 VanDerWaalsContact C-N 3.33Å; V471-Y473 PolarHBondContact O-N 3.05Å; V471-I474 PolarHBondContact O-N 3.01Å; V471-Q475 VanDerWaalsContact O-CG 3.31Å; V471-Q475 WeakPolarHBondContact O-CG 3.23Å; V471-Q475 PolarHBondContact O-N 3.17Å; V471-P506 HydrophobicContact CG2-CB 4.1Å; V471-P506 HydrophobicContact CG2-CG 4.22Å; V471-M508 HydrophobicContact CG2-SD 4.48Å
472	G	92.9	Very high	90.7	Very high	8 Å²	8	31 Å²	31	8%	0.082	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-38.2	177	0	0	0	0	0	113	T317 K468 A469 F470 A476	T317-G472 WeakPolarHBondContact CG2-O 3.46Å; K468-G472 PolarHBondContact O-N 3.04Å; A469-G472 PolarHBondContact O-N 2.69Å; F470-G472 VanDerWaalsContact C-N 3.3Å; F470-G472 PolarHBondContact O-N 2.91Å; G472-A476 VanDerWaalsContact O-CB 3.32Å; G472-A476 WeakPolarHBondContact O-CB 3.44Å; G472-A476 PolarHBondContact O-N 3.48Å
473	Y	94.6	Very high	90	Very high	6 Å²	6	36 Å²	36	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-60.1	-52.2	175	178.5	-77.3	0	0	0	110.8	D386 M415 A469 F470 V471 Q475 A476 Y477 L496 F500	D386-Y473 VanDerWaalsContact CG-CE2 3.44Å; D386-Y473 WeakPolarHBondContact OD1-CE2 3.47Å; D386-Y473 PolarHBondContact OD1-OH 3.37Å; D386-Y473 VanDerWaalsContact OD1-OH 3.13Å; D386-Y473 VanDerWaalsContact OD2-CE2 3.25Å; D386-Y473 WeakPolarHBondContact OD2-CE2 3.19Å; M415-Y473 WeakPolarHBondContact CE-OH 3.37Å; A469-Y473 WeakPolarHBondContact O-CB 3.42Å; A469-Y473 PolarHBondContact O-N 3.26Å; F470-Y473 WeakPolarHBondContact O-CB 3.36Å; F470-Y473 PolarHBondContact O-N 3.37Å; F470-Y473 VanDerWaalsContact O-N 3.14Å; V471-Y473 VanDerWaalsContact C-N 3.33Å; V471-Y473 PolarHBondContact O-N 3.05Å; Y473-Q475 VanDerWaalsContact C-N 3.32Å; Y473-Q475 PolarHBondContact O-N 3.04Å; Y473-A476 WeakPolarHBondContact O-CB 3.37Å; Y473-A476 PolarHBondContact O-N 3.04Å; Y473-A476 VanDerWaalsContact O-N 3.08Å; Y473-Y477 AromaticContact CE1-CD2 3.8Å; Y473-Y477 HydrophobicContact CE1-CD2 3.8Å; Y473-Y477 PolarHBondContact O-N 3.08Å; Y473-L496 HydrophobicContact CD1-CD2 3.55Å; Y473-L496 HydrophobicContact CE1-CD1 4.14Å; Y473-L496 HydrophobicContact CE1-CD2 3.28Å; Y473-L496 HydrophobicContact CE1-CG 4.31Å; Y473-F500 HydrophobicContact CD2-CE2 4.17Å; Y473-F500 AromaticContact CD2-CZ 3.8Å; Y473-F500 HydrophobicContact CD2-CZ 3.8Å; Y473-F500 HydrophobicContact CG-CE2 4.23Å; Y473-F500 AromaticContact CG-CZ 3.89Å; Y473-F500 HydrophobicContact CG-CZ 3.89Å
474	I	93.9	Very high	89.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-44.3	-179	-64.5	-65.8	0	0	0	110.8	F470 V471 A476 Y477 L478 F488 L491 V493 L496 M508 L511	F470-I474 HydrophobicContact CD1-CG1 4.24Å; F470-I474 HydrophobicContact CE1-CD1 4.46Å; F470-I474 HydrophobicContact CE1-CG1 3.87Å; F470-I474 HydrophobicContact CE2-CD1 4.43Å; F470-I474 HydrophobicContact CE2-CG1 4.44Å; F470-I474 HydrophobicContact CZ-CD1 4.09Å; F470-I474 HydrophobicContact CZ-CG1 3.99Å; F470-I474 WeakPolarHBondContact O-CG1 3.16Å; F470-I474 PolarHBondContact O-N 2.99Å; V471-I474 PolarHBondContact O-N 3.01Å; I474-A476 VanDerWaalsContact C-N 3.32Å; I474-A476 PolarHBondContact O-N 3.07Å; I474-Y477 WeakPolarHBondContact O-CB 3.5Å; I474-Y477 PolarHBondContact O-N 3.05Å; I474-L478 HydrophobicContact CG2-CD1 4.21Å; I474-L478 WeakPolarHBondContact O-CG 3.17Å; I474-L478 PolarHBondContact O-N 3.14Å; I474-L478 VanDerWaalsContact O-N 3.1Å; I474-F488 HydrophobicContact CD1-CE2 4.44Å; I474-F488 HydrophobicContact CG2-CE2 3.75Å; I474-F488 HydrophobicContact CG2-CZ 3.87Å; I474-L491 HydrophobicContact CD1-CD2 3.87Å; I474-V493 HydrophobicContact CD1-CG1 4.2Å; I474-L496 HydrophobicContact CD1-CD2 3.94Å; I474-M508 HydrophobicContact CB-CE 3.64Å; I474-M508 HydrophobicContact CB-SD 4.35Å; I474-M508 HydrophobicContact CG1-CE 4.28Å; I474-M508 HydrophobicContact CG1-SD 4.36Å; I474-M508 HydrophobicContact CG2-CE 3.22Å; I474-M508 HydrophobicContact CG2-SD 4.24Å; I474-L511 HydrophobicContact CG2-CD2 4.47Å
475	Q	91.1	Very high	88.8	Confident	79 Å²	79	42.2 Å²	42.2	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-39.5	175.4	-71.4	176.7	-24.2	0	0	112.3	V471 Y473 L479 E510	V471-Q475 VanDerWaalsContact O-CG 3.31Å; V471-Q475 WeakPolarHBondContact O-CG 3.23Å; V471-Q475 PolarHBondContact O-N 3.17Å; Y473-Q475 VanDerWaalsContact C-N 3.32Å; Y473-Q475 PolarHBondContact O-N 3.04Å; Q475-L479 VanDerWaalsContact O-CG 3.32Å; Q475-L479 WeakPolarHBondContact O-CG 3.44Å; Q475-L479 PolarHBondContact O-N 2.81Å; Q475-E510 PolarHBondContact NE2-OE1 3.38Å
476	A	89.3	Confident	88.2	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-35	176.2	0	0	0	0	0	112.5	N316 T317 G472 Y473 I474 L479 R480	N316-A476 HydrophobicContact CB-CB 4.25Å; T317-A476 HydrophobicContact CG2-CB 3.62Å; G472-A476 VanDerWaalsContact O-CB 3.32Å; G472-A476 WeakPolarHBondContact O-CB 3.44Å; G472-A476 PolarHBondContact O-N 3.48Å; Y473-A476 WeakPolarHBondContact O-CB 3.37Å; Y473-A476 PolarHBondContact O-N 3.04Å; Y473-A476 VanDerWaalsContact O-N 3.08Å; I474-A476 VanDerWaalsContact C-N 3.32Å; I474-A476 PolarHBondContact O-N 3.07Å; A476-L479 PolarHBondContact O-N 3.37Å; A476-R480 WeakPolarHBondContact O-CG 3.41Å
477	Y	90.8	Very high	87.7	Confident	10 Å²	10	42.7 Å²	42.7	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-39.7	177.3	-160.6	-80.2	0	0	0	111.9	M415 N417 E418 Y473 I474 L479 R480 F488 L491	M415-Y477 HydrophobicContact CE-CE2 3.82Å; N417-Y477 PolarHBondContact ND2-OH 3.31Å; N417-Y477 VanDerWaalsContact ND2-OH 3.16Å; E418-Y477 WeakPolarHBondContact OE1-CE2 3.42Å; E418-Y477 PolarHBondContact OE1-OH 3.43Å; Y473-Y477 AromaticContact CE1-CD2 3.8Å; Y473-Y477 HydrophobicContact CE1-CD2 3.8Å; Y473-Y477 PolarHBondContact O-N 3.08Å; I474-Y477 WeakPolarHBondContact O-CB 3.5Å; I474-Y477 PolarHBondContact O-N 3.05Å; Y477-L479 VanDerWaalsContact C-N 3.3Å; Y477-L479 PolarHBondContact O-N 3.29Å; Y477-R480 VanDerWaalsContact CD2-CZ 3.47Å; Y477-R480 VanDerWaalsContact CE2-CZ 3.4Å; Y477-R480 VanDerWaalsContact CE2-NH1 3.33Å; Y477-R480 WeakPolarHBondContact O-CG 3.28Å; Y477-R480 PolarHBondContact O-NE 2.99Å; Y477-R480 PolarHBondContact OH-NH2 3.45Å; Y477-R480 VanDerWaalsContact OH-NH2 3.09Å; Y477-F488 HydrophobicContact CD1-CB 4.45Å; Y477-F488 AromaticContact CD1-CD2 3.79Å; Y477-F488 HydrophobicContact CD1-CD2 3.79Å; Y477-F488 HydrophobicContact CE1-CD2 4.31Å; Y477-L491 HydrophobicContact CD1-CD2 3.95Å; Y477-L491 HydrophobicContact CD2-CD1 4.42Å; Y477-L491 HydrophobicContact CD2-CD2 4.07Å; Y477-L491 HydrophobicContact CE1-CB 4.16Å; Y477-L491 HydrophobicContact CE1-CD1 4.42Å; Y477-L491 HydrophobicContact CE1-CD2 3.98Å; Y477-L491 HydrophobicContact CE1-CG 4.42Å; Y477-L491 HydrophobicContact CE2-CD1 3.74Å; Y477-L491 HydrophobicContact CE2-CD2 4.1Å; Y477-L491 HydrophobicContact CE2-CG 4.46Å; Y477-L491 HydrophobicContact CG-CD2 3.98Å
478	L	88.1	Confident	87.4	Confident	73 Å²	73	43.1 Å²	43.1	38%	0.382	22%	0.218	S	C	.	.	H	α-helix	trans	-68.5	-25	177.7	-74.6	166.6	0	0	0	113.9	I474 F488 E510	I474-L478 HydrophobicContact CG2-CD1 4.21Å; I474-L478 WeakPolarHBondContact O-CG 3.17Å; I474-L478 PolarHBondContact O-N 3.14Å; I474-L478 VanDerWaalsContact O-N 3.1Å; L478-F488 HydrophobicContact CD1-CE2 4.42Å; L478-F488 HydrophobicContact CD1-CZ 4.28Å; L478-F488 HydrophobicContact CD2-CB 3.93Å; L478-F488 HydrophobicContact CD2-CD1 3.51Å; L478-F488 HydrophobicContact CD2-CD2 3.65Å; L478-F488 HydrophobicContact CD2-CE1 3.82Å; L478-F488 HydrophobicContact CD2-CE2 3.97Å; L478-F488 HydrophobicContact CD2-CG 3.39Å; L478-F488 HydrophobicContact CD2-CZ 4.02Å; L478-F488 HydrophobicContact CG-CD2 3.98Å; L478-F488 HydrophobicContact CG-CE2 4Å; L478-F488 HydrophobicContact CG-CG 4.24Å; L478-F488 HydrophobicContact CG-CZ 4.24Å; L478-E510 HydrophobicContact CD1-CB 3.81Å; L478-E510 HydrophobicContact CD1-CG 3.72Å
479	L	83.2	Confident	87	Confident	122 Å²	122	46.3 Å²	46.3	64%	0.639	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	10.6	-175.9	-67.6	172.5	0	0	0	113.5	Q475 A476 Y477	Q475-L479 VanDerWaalsContact O-CG 3.32Å; Q475-L479 WeakPolarHBondContact O-CG 3.44Å; Q475-L479 PolarHBondContact O-N 2.81Å; A476-L479 PolarHBondContact O-N 3.37Å; Y477-L479 VanDerWaalsContact C-N 3.3Å; Y477-L479 PolarHBondContact O-N 3.29Å
480	R	81.5	Confident	86.7	Confident	13 Å²	13	52.2 Å²	52.2	5%	0.049	26%	0.259	C	S	.	.			trans	-78.5	152.1	-178.9	-58.7	-170.3	-66.5	-174.3	10.4	111.8	R389 E418 A476 Y477 C486	R389-R480 WeakPolarHBondContact O-CA 3.31Å; E418-R480 IonicContact OE1-CZ 2.71Å; E418-R480 IonicContact OE1-NH1 3.43Å; E418-R480 PolarHBondContact OE1-NH1 3.49Å; E418-R480 IonicContact OE1-NH2 2.91Å; A476-R480 WeakPolarHBondContact O-CG 3.41Å; Y477-R480 VanDerWaalsContact CD2-CZ 3.47Å; Y477-R480 VanDerWaalsContact CE2-CZ 3.4Å; Y477-R480 VanDerWaalsContact CE2-NH1 3.33Å; Y477-R480 WeakPolarHBondContact O-CG 3.28Å; Y477-R480 PolarHBondContact O-NE 2.99Å; Y477-R480 PolarHBondContact OH-NH2 3.45Å; Y477-R480 VanDerWaalsContact OH-NH2 3.09Å; R480-C486 PolarHBondContact NH2-O 3.35Å
481	D	79.1	Confident	86.4	Confident	67 Å²	67	52.2 Å²	52.2	36%	0.358	26%	0.259	S	S	.	.	S	Bend	trans	-72.4	-36.9	176.2	63.1	-16.5	0	0	0	112.7	R389 Q390 S391 H483	R389-D481 PolarHBondContact O-N 3.08Å; R389-D481 VanDerWaalsContact O-N 3.09Å; Q390-D481 WeakPolarHBondContact CA-OD1 3.5Å; Q390-D481 WeakPolarHBondContact CA-OD2 3.43Å; S391-D481 WeakPolarHBondContact CB-OD2 3.27Å; S391-D481 PolarHBondContact N-OD1 2.83Å; S391-D481 PolarHBondContact N-OD2 3.15Å; S391-D481 PolarHBondContact OG-OD2 2.9Å; D481-H483 PolarHBondContact O-N 2.95Å; D481-H483 PolarHBondContact O-ND1 3.29Å
482	C	75.9	Confident	86.3	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.041	27%	0.266	C	S	.	.			trans	-80.5	37.4	-176.9	63.7	0	0	0	0	115.2	Y421 I484 V485 C486	Y421-C482 HydrophobicContact CD2-CB 4.21Å; Y421-C482 HydrophobicContact CE2-CB 3.97Å; C482-I484 PolarHBondContact O-N 2.95Å; C482-I484 VanDerWaalsContact O-N 3.1Å; C482-V485 PolarHBondContact O-N 3.34Å; C482-C486 PolarHBondContact O-N 3.48Å
483	H	78.3	Confident	86.3	Confident	127 Å²	127	53.5 Å²	53.5	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.2	-179.5	65.3	-76.6	0	0	0	114.6	D481	D481-H483 PolarHBondContact O-N 2.95Å; D481-H483 PolarHBondContact O-ND1 3.29Å
484	I	77.2	Confident	86.3	Confident	142 Å²	142	54.1 Å²	54.1	73%	0.728	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-39.1	176.4	-60.4	174.1	0	0	0	111	C482	C482-I484 PolarHBondContact O-N 2.95Å; C482-I484 VanDerWaalsContact O-N 3.1Å
485	V	82.5	Confident	86.3	Confident	35 Å²	35	56.2 Å²	56.2	21%	0.212	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-29.4	-172.3	-176.6	0	0	0	0	111.4	G420 Y421 F424 C482	G420-V485 WeakPolarHBondContact O-CG1 3.36Å; Y421-V485 VanDerWaalsContact CA-CG1 3.5Å; F424-V485 HydrophobicContact CB-CG1 4.17Å; F424-V485 HydrophobicContact CB-CG2 3.91Å; F424-V485 HydrophobicContact CD2-CG2 3.88Å; F424-V485 HydrophobicContact CG-CG2 3.97Å; C482-V485 PolarHBondContact O-N 3.34Å
486	C	82.3	Confident	86.5	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.014	26%	0.261	C	S	.	.	S	Bend	trans	-121.6	71.9	178.3	-53.5	0	0	0	0	109.3	E418 R480 C482 F488	E418-C486 HydrophobicContact CG-CB 4.43Å; R480-C486 PolarHBondContact NH2-O 3.35Å; C482-C486 PolarHBondContact O-N 3.48Å; C486-F488 PolarHBondContact O-N 2.94Å
487	D	85.3	Confident	86.8	Confident	55 Å²	55	52.3 Å²	52.3	29%	0.294	26%	0.261	S	S	.	.			trans	-64	129.4	-177.6	-170.7	-8	0	0	0	110.2	K489 E490 L491	D487-K489 PolarHBondContact O-N 3.41Å; D487-K489 PolarHBondContact OD1-N 3.44Å; D487-E490 HydrophobicContact CB-CG 4.28Å; D487-E490 PolarHBondContact O-N 2.9Å; D487-L491 PolarHBondContact O-N 3.43Å
488	F	87.1	Confident	87	Confident	34 Å²	34	53 Å²	53	15%	0.149	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.7	-34.5	173.2	-177.8	-110.3	0	0	0	111.9	I474 Y477 L478 C486 E490 L491 L511 R514	I474-F488 HydrophobicContact CD1-CE2 4.44Å; I474-F488 HydrophobicContact CG2-CE2 3.75Å; I474-F488 HydrophobicContact CG2-CZ 3.87Å; Y477-F488 HydrophobicContact CD1-CB 4.45Å; Y477-F488 AromaticContact CD1-CD2 3.79Å; Y477-F488 HydrophobicContact CD1-CD2 3.79Å; Y477-F488 HydrophobicContact CE1-CD2 4.31Å; L478-F488 HydrophobicContact CD1-CE2 4.42Å; L478-F488 HydrophobicContact CD1-CZ 4.28Å; L478-F488 HydrophobicContact CD2-CB 3.93Å; L478-F488 HydrophobicContact CD2-CD1 3.51Å; L478-F488 HydrophobicContact CD2-CD2 3.65Å; L478-F488 HydrophobicContact CD2-CE1 3.82Å; L478-F488 HydrophobicContact CD2-CE2 3.97Å; L478-F488 HydrophobicContact CD2-CG 3.39Å; L478-F488 HydrophobicContact CD2-CZ 4.02Å; L478-F488 HydrophobicContact CG-CD2 3.98Å; L478-F488 HydrophobicContact CG-CE2 4Å; L478-F488 HydrophobicContact CG-CG 4.24Å; L478-F488 HydrophobicContact CG-CZ 4.24Å; C486-F488 PolarHBondContact O-N 2.94Å; F488-E490 PolarHBondContact O-N 3.16Å; F488-L491 HydrophobicContact CD2-CB 4.49Å; F488-L491 HydrophobicContact CD2-CD2 3.93Å; F488-L491 HydrophobicContact CE2-CD2 3.86Å; F488-L491 VanDerWaalsContact O-CB 3.23Å; F488-L491 WeakPolarHBondContact O-CB 3.49Å; F488-L491 PolarHBondContact O-N 3.44Å; F488-L491 VanDerWaalsContact O-N 3.13Å; F488-L511 HydrophobicContact CE1-CD2 4.4Å; F488-L511 HydrophobicContact CZ-CD2 3.7Å; F488-R514 PolarHBondContact O-NH1 3.32Å
489	K	87	Confident	87.3	Confident	163 Å²	163	49.6 Å²	49.6	71%	0.709	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-59.9	-33.7	179.6	-68.8	177.5	-178.7	177.3	0	112.7	D487 R514	D487-K489 PolarHBondContact O-N 3.41Å; D487-K489 PolarHBondContact OD1-N 3.44Å; K489-R514 VanDerWaalsContact CA-NH1 3.28Å; K489-R514 PolarHBondContact O-NH1 2.78Å; K489-R514 PolarHBondContact O-NH2 3Å
490	E	88.8	Confident	87.9	Confident	124 Å²	124	43.8 Å²	43.8	58%	0.579	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-86.2	-9.9	-179.8	-60.8	-175.1	171.7	0	0	113.4	N417 D487 F488 D492	N417-E490 HydrophobicContact CB-CB 4Å; D487-E490 HydrophobicContact CB-CG 4.28Å; D487-E490 PolarHBondContact O-N 2.9Å; F488-E490 PolarHBondContact O-N 3.16Å; E490-D492 PolarHBondContact O-N 3.3Å
491	L	91.1	Very high	88.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.			trans	-61.5	121.7	-179.6	178.5	61.7	0	0	0	111.7	M415 I474 Y477 D487 F488 V493 L496 R514	M415-L491 HydrophobicContact CE-CD1 3.3Å; M415-L491 HydrophobicContact SD-CD1 3.99Å; I474-L491 HydrophobicContact CD1-CD2 3.87Å; Y477-L491 HydrophobicContact CD1-CD2 3.95Å; Y477-L491 HydrophobicContact CD2-CD1 4.42Å; Y477-L491 HydrophobicContact CD2-CD2 4.07Å; Y477-L491 HydrophobicContact CE1-CB 4.16Å; Y477-L491 HydrophobicContact CE1-CD1 4.42Å; Y477-L491 HydrophobicContact CE1-CD2 3.98Å; Y477-L491 HydrophobicContact CE1-CG 4.42Å; Y477-L491 HydrophobicContact CE2-CD1 3.74Å; Y477-L491 HydrophobicContact CE2-CD2 4.1Å; Y477-L491 HydrophobicContact CE2-CG 4.46Å; Y477-L491 HydrophobicContact CG-CD2 3.98Å; D487-L491 PolarHBondContact O-N 3.43Å; F488-L491 HydrophobicContact CD2-CB 4.49Å; F488-L491 HydrophobicContact CD2-CD2 3.93Å; F488-L491 HydrophobicContact CE2-CD2 3.86Å; F488-L491 VanDerWaalsContact O-CB 3.23Å; F488-L491 WeakPolarHBondContact O-CB 3.49Å; F488-L491 PolarHBondContact O-N 3.44Å; F488-L491 VanDerWaalsContact O-N 3.13Å; L491-V493 VanDerWaalsContact C-N 3.35Å; L491-V493 HydrophobicContact CD2-CG1 4.14Å; L491-V493 HydrophobicContact CG-CG1 4.11Å; L491-V493 PolarHBondContact O-N 2.89Å; L491-L496 HydrophobicContact CD2-CD2 4.49Å; L491-R514 PolarHBondContact O-NH2 3.3Å
492	D	92.6	Very high	89.3	Confident	60 Å²	60	40.2 Å²	40.2	32%	0.321	20%	0.197	S	C	.	.			trans	-74.9	84.7	173.9	-171.5	-18.9	0	0	0	111.8	A292 E490 V494 N495 L496	A292-D492 HydrophobicContact CB-CB 4.28Å; E490-D492 PolarHBondContact O-N 3.3Å; D492-V494 VanDerWaalsContact C-N 3.27Å; D492-V494 PolarHBondContact O-N 3.39Å; D492-V494 PolarHBondContact OD1-N 2.87Å; D492-N495 WeakPolarHBondContact OD1-CB 3.45Å; D492-N495 PolarHBondContact OD1-N 3.22Å; D492-N495 WeakPolarHBondContact OD2-CB 3.21Å; D492-N495 PolarHBondContact OD2-ND2 3.28Å; D492-L496 WeakPolarHBondContact O-CB 3.33Å; D492-L496 PolarHBondContact O-N 3.49Å
493	V	93.2	Very high	90.1	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-26.5	-177.7	-63.4	0	0	0	0	113.3	I474 L491 A497 F505 L511	I474-V493 HydrophobicContact CD1-CG1 4.2Å; L491-V493 VanDerWaalsContact C-N 3.35Å; L491-V493 HydrophobicContact CD2-CG1 4.14Å; L491-V493 HydrophobicContact CG-CG1 4.11Å; L491-V493 PolarHBondContact O-N 2.89Å; V493-A497 WeakPolarHBondContact O-CB 3.47Å; V493-A497 PolarHBondContact O-N 3.2Å; V493-F505 HydrophobicContact CB-CZ 4.34Å; V493-F505 HydrophobicContact CG2-CZ 4.27Å; V493-L511 HydrophobicContact CB-CD2 4.43Å; V493-L511 HydrophobicContact CG1-CD2 3.8Å
494	V	94.2	Very high	90.7	Very high	20 Å²	20	39.4 Å²	39.4	12%	0.121	19%	0.188	C	C	.	.	H	α-helix	trans	-76.2	-51.8	-177.9	173.7	0	0	0	0	110.1	D492 L496 A497 Y498 F519	D492-V494 VanDerWaalsContact C-N 3.27Å; D492-V494 PolarHBondContact O-N 3.39Å; D492-V494 PolarHBondContact OD1-N 2.87Å; V494-L496 VanDerWaalsContact C-N 3.28Å; V494-L496 PolarHBondContact O-N 3.1Å; V494-A497 WeakPolarHBondContact O-CB 3.18Å; V494-A497 PolarHBondContact O-N 3.16Å; V494-A497 VanDerWaalsContact O-N 3.07Å; V494-Y498 HydrophobicContact CG1-CE2 3.92Å; V494-Y498 PolarHBondContact O-N 2.98Å; V494-Y498 VanDerWaalsContact O-N 3.16Å; V494-F519 HydrophobicContact CG1-CB 4.08Å
495	N	94.5	Very high	91.3	Very high	43 Å²	43	33.9 Å²	33.9	23%	0.23	16%	0.159	C	C	.	.	H	α-helix	trans	-68.5	-31.3	177.4	-78.6	-46.8	0	0	0	112.1	A292 Q293 D492 A497 Y498 C499	A292-N495 HydrophobicContact CB-CB 3.88Å; Q293-N495 VanDerWaalsContact CA-O 3.28Å; Q293-N495 WeakPolarHBondContact CA-O 3.11Å; Q293-N495 HydrophobicContact CB-CB 3.97Å; Q293-N495 PolarHBondContact N-O 2.88Å; D492-N495 WeakPolarHBondContact OD1-CB 3.45Å; D492-N495 PolarHBondContact OD1-N 3.22Å; D492-N495 WeakPolarHBondContact OD2-CB 3.21Å; D492-N495 PolarHBondContact OD2-ND2 3.28Å; N495-A497 VanDerWaalsContact C-N 3.33Å; N495-A497 PolarHBondContact O-N 2.8Å; N495-Y498 WeakPolarHBondContact O-CB 3.27Å; N495-Y498 PolarHBondContact O-N 2.85Å; N495-Y498 WeakPolarHBondContact OD1-CD2 3.4Å; N495-C499 PolarHBondContact O-N 3.39Å
496	L	94.6	Very high	91.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-41.5	168.9	-171.6	71.4	0	0	0	111.5	A292 M415 F470 Y473 I474 L491 D492 V494 Y498 C499 F500	A292-L496 HydrophobicContact CB-CB 4.31Å; M415-L496 HydrophobicContact SD-CD1 4.38Å; F470-L496 HydrophobicContact CD2-CG 4.5Å; F470-L496 HydrophobicContact CE2-CB 4.3Å; F470-L496 HydrophobicContact CE2-CD2 3.94Å; F470-L496 HydrophobicContact CE2-CG 4.02Å; Y473-L496 HydrophobicContact CD1-CD2 3.55Å; Y473-L496 HydrophobicContact CE1-CD1 4.14Å; Y473-L496 HydrophobicContact CE1-CD2 3.28Å; Y473-L496 HydrophobicContact CE1-CG 4.31Å; I474-L496 HydrophobicContact CD1-CD2 3.94Å; L491-L496 HydrophobicContact CD2-CD2 4.49Å; D492-L496 WeakPolarHBondContact O-CB 3.33Å; D492-L496 PolarHBondContact O-N 3.49Å; V494-L496 VanDerWaalsContact C-N 3.28Å; V494-L496 PolarHBondContact O-N 3.1Å; L496-Y498 PolarHBondContact O-N 3.31Å; L496-C499 WeakPolarHBondContact O-CA 3.41Å; L496-C499 VanDerWaalsContact O-CB 3.27Å; L496-C499 WeakPolarHBondContact O-CB 3.4Å; L496-C499 PolarHBondContact O-N 3.09Å; L496-F500 HydrophobicContact CD1-CD2 4.34Å; L496-F500 HydrophobicContact CD1-CE2 3.95Å; L496-F500 HydrophobicContact CG-CD2 4.18Å; L496-F500 HydrophobicContact CG-CE2 4.03Å; L496-F500 WeakPolarHBondContact O-CD2 3.38Å; L496-F500 PolarHBondContact O-N 3.5Å; L496-F500 VanDerWaalsContact O-N 3.08Å
497	A	95.4	Very high	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-32.4	174.9	0	0	0	0	0	112.7	F470 V493 V494 N495 F500 G501 L502 F505 F519	F470-A497 HydrophobicContact CE2-CB 3.95Å; F470-A497 HydrophobicContact CZ-CB 4.19Å; V493-A497 WeakPolarHBondContact O-CB 3.47Å; V493-A497 PolarHBondContact O-N 3.2Å; V494-A497 WeakPolarHBondContact O-CB 3.18Å; V494-A497 PolarHBondContact O-N 3.16Å; V494-A497 VanDerWaalsContact O-N 3.07Å; N495-A497 VanDerWaalsContact C-N 3.33Å; N495-A497 PolarHBondContact O-N 2.8Å; A497-F500 PolarHBondContact O-N 3.34Å; A497-G501 PolarHBondContact O-N 3.37Å; A497-L502 HydrophobicContact CB-CD1 3.97Å; A497-L502 PolarHBondContact O-N 3.46Å; A497-F505 HydrophobicContact CB-CD2 3.9Å; A497-F505 HydrophobicContact CB-CE2 3.74Å; A497-F519 HydrophobicContact CB-CD2 3.83Å; A497-F519 HydrophobicContact CB-CE2 3.63Å
498	Y	95	Very high	92	Very high	24 Å²	24	37.9 Å²	37.9	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-39.1	170.3	-64.2	-41.3	0	0	0	112.8	V494 N495 L496 F500 G501 G518 F519 V520	V494-Y498 HydrophobicContact CG1-CE2 3.92Å; V494-Y498 PolarHBondContact O-N 2.98Å; V494-Y498 VanDerWaalsContact O-N 3.16Å; N495-Y498 WeakPolarHBondContact O-CB 3.27Å; N495-Y498 PolarHBondContact O-N 2.85Å; N495-Y498 WeakPolarHBondContact OD1-CD2 3.4Å; L496-Y498 PolarHBondContact O-N 3.31Å; Y498-F500 PolarHBondContact O-N 2.92Å; Y498-G501 PolarHBondContact O-N 3.02Å; Y498-G518 PolarHBondContact OH-O 3.36Å; Y498-F519 HydrophobicContact CD1-CD2 4.12Å; Y498-F519 AromaticContact CD1-CE2 3.84Å; Y498-F519 HydrophobicContact CD1-CE2 3.84Å; Y498-F519 AromaticContact CE1-CD2 3.69Å; Y498-F519 HydrophobicContact CE1-CD2 3.69Å; Y498-F519 AromaticContact CE1-CE2 3.73Å; Y498-F519 HydrophobicContact CE1-CE2 3.73Å; Y498-V520 PolarHBondContact OH-N 3.22Å
499	C	95.3	Very high	92	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-34.1	173.3	-176	0	0	0	0	112.8	A292 F296 L452 N495 L496 G501	A292-C499 WeakPolarHBondContact O-CB 3.28Å; F296-C499 WeakPolarHBondContact CB-SG 3.12Å; F296-C499 PolarHBondContact N-SG 2.96Å; L452-C499 WeakPolarHBondContact CD1-O 3.4Å; N495-C499 PolarHBondContact O-N 3.39Å; L496-C499 WeakPolarHBondContact O-CA 3.41Å; L496-C499 VanDerWaalsContact O-CB 3.27Å; L496-C499 WeakPolarHBondContact O-CB 3.4Å; L496-C499 PolarHBondContact O-N 3.09Å; C499-G501 VanDerWaalsContact C-N 3.25Å; C499-G501 PolarHBondContact O-N 3.15Å
500	F	96.1	Very high	91.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	3.6	174.6	-81.2	-103.1	0	0	0	113.3	Y323 F324 A469 F470 Y473 L496 A497 Y498 L502	Y323-F500 HydrophobicContact CD1-CD1 4.17Å; Y323-F500 HydrophobicContact CE1-CD1 4.19Å; Y323-F500 PolarHBondContact OH-O 2.93Å; F324-F500 HydrophobicContact CE2-CD1 4.21Å; F324-F500 AromaticContact CE2-CE1 3.65Å; F324-F500 HydrophobicContact CE2-CE1 3.65Å; F324-F500 HydrophobicContact CE2-CE2 4.3Å; F324-F500 AromaticContact CE2-CZ 3.72Å; F324-F500 HydrophobicContact CE2-CZ 3.72Å; F324-F500 AromaticContact CZ-CD1 3.88Å; F324-F500 HydrophobicContact CZ-CD1 3.88Å; F324-F500 HydrophobicContact CZ-CD2 4.14Å; F324-F500 AromaticContact CZ-CE1 3.77Å; F324-F500 HydrophobicContact CZ-CE1 3.77Å; F324-F500 HydrophobicContact CZ-CE2 4.06Å; F324-F500 HydrophobicContact CZ-CG 4.07Å; F324-F500 AromaticContact CZ-CZ 3.87Å; F324-F500 HydrophobicContact CZ-CZ 3.87Å; A469-F500 HydrophobicContact CB-CD1 4.26Å; A469-F500 HydrophobicContact CB-CE1 3.9Å; F470-F500 HydrophobicContact CB-CB 4.46Å; F470-F500 HydrophobicContact CB-CD1 3.88Å; F470-F500 HydrophobicContact CB-CE1 4.25Å; F470-F500 HydrophobicContact CB-CG 4.1Å; F470-F500 HydrophobicContact CD2-CB 4.28Å; F470-F500 AromaticContact CD2-CD2 3.83Å; F470-F500 HydrophobicContact CD2-CD2 3.83Å; F470-F500 HydrophobicContact CD2-CE2 4.24Å; F470-F500 AromaticContact CD2-CG 3.96Å; F470-F500 HydrophobicContact CD2-CG 3.96Å; Y473-F500 HydrophobicContact CD2-CE2 4.17Å; Y473-F500 AromaticContact CD2-CZ 3.8Å; Y473-F500 HydrophobicContact CD2-CZ 3.8Å; Y473-F500 HydrophobicContact CG-CE2 4.23Å; Y473-F500 AromaticContact CG-CZ 3.89Å; Y473-F500 HydrophobicContact CG-CZ 3.89Å; L496-F500 HydrophobicContact CD1-CD2 4.34Å; L496-F500 HydrophobicContact CD1-CE2 3.95Å; L496-F500 HydrophobicContact CG-CD2 4.18Å; L496-F500 HydrophobicContact CG-CE2 4.03Å; L496-F500 WeakPolarHBondContact O-CD2 3.38Å; L496-F500 PolarHBondContact O-N 3.5Å; L496-F500 VanDerWaalsContact O-N 3.08Å; A497-F500 PolarHBondContact O-N 3.34Å; Y498-F500 PolarHBondContact O-N 2.92Å; F500-L502 HydrophobicContact CB-CD1 4.48Å; F500-L502 HydrophobicContact CB-CD2 4.04Å; F500-L502 HydrophobicContact CB-CG 3.88Å; F500-L502 PolarHBondContact O-N 2.91Å; F500-L502 VanDerWaalsContact O-N 3.14Å
501	G	94.8	Very high	91.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	30.6	178.7	0	0	0	0	0	114.1	R453 A497 Y498 C499	R453-G501 WeakPolarHBondContact CG-O 3.3Å; A497-G501 PolarHBondContact O-N 3.37Å; Y498-G501 PolarHBondContact O-N 3.02Å; C499-G501 VanDerWaalsContact C-N 3.25Å; C499-G501 PolarHBondContact O-N 3.15Å
502	L	94.8	Very high	91.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	19%	0.19	C	C	.	.			trans	-66.3	137.9	-175.1	-59.5	-175.4	0	0	0	110.7	R453 F470 A497 F500 P506 F519	R453-L502 PolarHBondContact NE-O 3.09Å; R453-L502 PolarHBondContact NH2-O 2.95Å; F470-L502 HydrophobicContact CB-CD1 3.92Å; F470-L502 HydrophobicContact CB-CD2 4.42Å; F470-L502 HydrophobicContact CD1-CD1 4Å; F470-L502 HydrophobicContact CD2-CD1 3.94Å; F470-L502 HydrophobicContact CE1-CD1 4.49Å; F470-L502 HydrophobicContact CE2-CD1 4.45Å; F470-L502 HydrophobicContact CG-CD1 3.68Å; A497-L502 HydrophobicContact CB-CD1 3.97Å; A497-L502 PolarHBondContact O-N 3.46Å; F500-L502 HydrophobicContact CB-CD1 4.48Å; F500-L502 HydrophobicContact CB-CD2 4.04Å; F500-L502 HydrophobicContact CB-CG 3.88Å; F500-L502 PolarHBondContact O-N 2.91Å; F500-L502 VanDerWaalsContact O-N 3.14Å; L502-P506 HydrophobicContact CD1-CG 4.4Å; L502-F519 HydrophobicContact CB-CZ 4.14Å; L502-F519 WeakPolarHBondContact O-CZ 3.48Å
503	L	92.8	Very high	90.7	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.215	C	C	.	.	S	Bend	trans	-80.1	-33.6	172.1	-61.1	-176.8	0	0	0	111.6	R453 A456 A457 L463 S522 V524 T526 I529	R453-L503 HydrophobicContact CB-CD2 3.83Å; R453-L503 HydrophobicContact CG-CD2 3.95Å; A456-L503 HydrophobicContact CB-CD1 4.27Å; A456-L503 HydrophobicContact CB-CG 4.16Å; A457-L503 HydrophobicContact CB-CD1 4.4Å; L463-L503 HydrophobicContact CD1-CB 4.29Å; L463-L503 HydrophobicContact CD1-CD1 3.86Å; L463-L503 HydrophobicContact CD1-CG 4.09Å; L503-S522 PolarHBondContact O-N 3.5Å; L503-V524 HydrophobicContact CD1-CB 4.47Å; L503-V524 HydrophobicContact CD1-CG1 4.39Å; L503-T526 HydrophobicContact CB-CG2 3.99Å; L503-T526 HydrophobicContact CD1-CG2 4.07Å; L503-I529 HydrophobicContact CD1-CD1 4.13Å
504	R	90.7	Very high	90.3	Very high	112 Å²	112	46 Å²	46	42%	0.423	23%	0.225	S	C	.	.	S	Bend	trans	-138.2	145	178.8	66.8	-176.6	-175.9	175.8	5	109.9
505	F	90.3	Very high	89.8	Confident	26 Å²	26	50.6 Å²	50.6	11%	0.114	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-72.2	128.3	174.4	-153.6	-88.5	0	0	0	110.2	F470 V493 A497 L511 T516 F519	F470-F505 HydrophobicContact CE1-CZ 4.36Å; F470-F505 HydrophobicContact CZ-CE2 4.31Å; F470-F505 HydrophobicContact CZ-CZ 4.17Å; V493-F505 HydrophobicContact CB-CZ 4.34Å; V493-F505 HydrophobicContact CG2-CZ 4.27Å; A497-F505 HydrophobicContact CB-CD2 3.9Å; A497-F505 HydrophobicContact CB-CE2 3.74Å; F505-L511 HydrophobicContact CE1-CB 4.5Å; F505-L511 HydrophobicContact CE1-CD1 3.46Å; F505-L511 VanDerWaalsContact CE1-CD1 3.46Å; F505-L511 HydrophobicContact CZ-CD1 3.64Å; F505-T516 HydrophobicContact CD1-CG2 4.02Å; F505-T516 HydrophobicContact CE1-CG2 3.46Å; F505-T516 VanDerWaalsContact CE1-CG2 3.46Å; F505-T516 HydrophobicContact CE2-CG2 4.25Å; F505-T516 HydrophobicContact CZ-CG2 3.59Å; F505-F519 HydrophobicContact CB-CD1 3.89Å; F505-F519 HydrophobicContact CB-CE1 4.18Å; F505-F519 HydrophobicContact CB-CG 4.29Å; F505-F519 HydrophobicContact CD2-CB 4.07Å; F505-F519 HydrophobicContact CD2-CD1 4.24Å; F505-F519 AromaticContact CD2-CD2 3.93Å; F505-F519 HydrophobicContact CD2-CD2 3.93Å; F505-F519 HydrophobicContact CD2-CE2 4.44Å; F505-F519 AromaticContact CD2-CG 3.8Å; F505-F519 HydrophobicContact CD2-CG 3.8Å
506	P	90	Very high	89.4	Confident	14 Å²	14	50.9 Å²	50.9	9%	0.091	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-73.1	138.7	-179.7	25.5	-29	0	0	0	111.4	T467 F470 V471 L502 M508	T467-P506 HydrophobicContact CG2-CB 3.96Å; F470-P506 HydrophobicContact CD1-CG 3.49Å; F470-P506 VanDerWaalsContact CD1-CG 3.49Å; F470-P506 HydrophobicContact CE1-CG 3.77Å; V471-P506 HydrophobicContact CG2-CB 4.1Å; V471-P506 HydrophobicContact CG2-CG 4.22Å; L502-P506 HydrophobicContact CD1-CG 4.4Å; P506-M508 PolarHBondContact O-N 3.36Å
507	V	85.7	Confident	89	Confident	146 Å²	146	55.4 Å²	55.4	89%	0.885	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-77.9	117.3	171.8	-177.6	0	0	0	0	108.3
508	M	87.9	Confident	88.5	Confident	16 Å²	16	57.7 Å²	57.7	8%	0.079	31%	0.307	C	S	.	.			trans	-139.9	149.2	178.3	61.7	-172.9	-73.7	0	0	111.1	F470 V471 I474 P506 E510 L511	F470-M508 HydrophobicContact CE1-SD 4.36Å; V471-M508 HydrophobicContact CG2-SD 4.48Å; I474-M508 HydrophobicContact CB-CE 3.64Å; I474-M508 HydrophobicContact CB-SD 4.35Å; I474-M508 HydrophobicContact CG1-CE 4.28Å; I474-M508 HydrophobicContact CG1-SD 4.36Å; I474-M508 HydrophobicContact CG2-CE 3.22Å; I474-M508 HydrophobicContact CG2-SD 4.24Å; P506-M508 PolarHBondContact O-N 3.36Å; M508-E510 VanDerWaalsContact C-N 3.25Å; M508-E510 WeakPolarHBondContact CB-OE2 3.32Å; M508-E510 HydrophobicContact CE-CB 3.85Å; M508-E510 HydrophobicContact CE-CG 4.24Å; M508-E510 WeakPolarHBondContact CE-OE2 3.42Å; M508-E510 PolarHBondContact O-N 3.34Å; M508-L511 HydrophobicContact CE-CD1 4.31Å; M508-L511 HydrophobicContact CE-CG 4.08Å; M508-L511 HydrophobicContact CG-CB 3.65Å; M508-L511 HydrophobicContact CG-CD1 3.58Å; M508-L511 HydrophobicContact CG-CG 3.47Å; M508-L511 VanDerWaalsContact CG-CG 3.47Å; M508-L511 PolarHBondContact O-N 3.26Å; M508-L511 HydrophobicContact SD-CB 4.41Å; M508-L511 HydrophobicContact SD-CD1 3.27Å; M508-L511 WeakPolarHBondContact SD-CD1 3.41Å; M508-L511 HydrophobicContact SD-CG 3.57Å; M508-L511 VanDerWaalsContact SD-CG 3.57Å
509	R	86.7	Confident	88.3	Confident	124 Å²	124	57.1 Å²	57.1	47%	0.468	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-64.7	-37.3	-172.6	-69.1	-175.6	178.7	-173.7	0.7	110.8	L511 R512	R509-L511 VanDerWaalsContact C-N 3.26Å; R509-L511 PolarHBondContact O-N 2.94Å; R509-R512 WeakPolarHBondContact O-CB 3.46Å; R509-R512 WeakPolarHBondContact O-CG 3.49Å; R509-R512 PolarHBondContact O-N 2.92Å
510	E	84.7	Confident	88.1	Confident	69 Å²	69	61.6 Å²	61.6	32%	0.322	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-69.5	-21.8	-176	-52.2	90.5	147.7	0	0	112.7	Q475 L478 M508	Q475-E510 PolarHBondContact NE2-OE1 3.38Å; L478-E510 HydrophobicContact CD1-CB 3.81Å; L478-E510 HydrophobicContact CD1-CG 3.72Å; M508-E510 VanDerWaalsContact C-N 3.25Å; M508-E510 WeakPolarHBondContact CB-OE2 3.32Å; M508-E510 HydrophobicContact CE-CB 3.85Å; M508-E510 HydrophobicContact CE-CG 4.24Å; M508-E510 WeakPolarHBondContact CE-OE2 3.42Å; M508-E510 PolarHBondContact O-N 3.34Å
511	L	86.8	Confident	87.7	Confident	9 Å²	9	70.7 Å²	70.7	5%	0.047	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-104.7	5.1	178.4	-61	-177.4	0	0	0	113.6	F470 I474 F488 V493 F505 M508 R509 A513 R514	F470-L511 HydrophobicContact CE1-CD1 4.07Å; F470-L511 HydrophobicContact CZ-CD1 4.43Å; I474-L511 HydrophobicContact CG2-CD2 4.47Å; F488-L511 HydrophobicContact CE1-CD2 4.4Å; F488-L511 HydrophobicContact CZ-CD2 3.7Å; V493-L511 HydrophobicContact CB-CD2 4.43Å; V493-L511 HydrophobicContact CG1-CD2 3.8Å; F505-L511 HydrophobicContact CE1-CB 4.5Å; F505-L511 HydrophobicContact CE1-CD1 3.46Å; F505-L511 VanDerWaalsContact CE1-CD1 3.46Å; F505-L511 HydrophobicContact CZ-CD1 3.64Å; M508-L511 HydrophobicContact CE-CD1 4.31Å; M508-L511 HydrophobicContact CE-CG 4.08Å; M508-L511 HydrophobicContact CG-CB 3.65Å; M508-L511 HydrophobicContact CG-CD1 3.58Å; M508-L511 HydrophobicContact CG-CG 3.47Å; M508-L511 VanDerWaalsContact CG-CG 3.47Å; M508-L511 PolarHBondContact O-N 3.26Å; M508-L511 HydrophobicContact SD-CB 4.41Å; M508-L511 HydrophobicContact SD-CD1 3.27Å; M508-L511 WeakPolarHBondContact SD-CD1 3.41Å; M508-L511 HydrophobicContact SD-CG 3.57Å; M508-L511 VanDerWaalsContact SD-CG 3.57Å; R509-L511 VanDerWaalsContact C-N 3.26Å; R509-L511 PolarHBondContact O-N 2.94Å; L511-A513 PolarHBondContact O-N 3.16Å; L511-R514 HydrophobicContact CB-CG 4.49Å; L511-R514 HydrophobicContact CD2-CB 4.41Å; L511-R514 HydrophobicContact CD2-CG 3.83Å; L511-R514 WeakPolarHBondContact O-CB 3.46Å; L511-R514 PolarHBondContact O-N 2.83Å
512	R	81.3	Confident	87.4	Confident	188 Å²	188	72.2 Å²	72.2	71%	0.709	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-32	-177.2	-76.4	179.8	179.7	-179.6	-1.6	114.2	R509	R509-R512 WeakPolarHBondContact O-CB 3.46Å; R509-R512 WeakPolarHBondContact O-CG 3.49Å; R509-R512 PolarHBondContact O-N 2.92Å
513	A	80.6	Confident	87.1	Confident	104 Å²	104	78.2 Å²	78.2	86%	0.86	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	4.1	179.9	0	0	0	0	0	113.1	L511	L511-A513 PolarHBondContact O-N 3.16Å
514	R	84.1	Confident	86.8	Confident	60 Å²	60	80.6 Å²	80.6	23%	0.226	43%	0.434	C	S	.	.	S	Bend	trans	-94.1	139.3	-179.3	-63.6	-62.1	-64.9	-119.6	5.5	110	F488 K489 L491 L511 T516	F488-R514 PolarHBondContact O-NH1 3.32Å; K489-R514 VanDerWaalsContact CA-NH1 3.28Å; K489-R514 PolarHBondContact O-NH1 2.78Å; K489-R514 PolarHBondContact O-NH2 3Å; L491-R514 PolarHBondContact O-NH2 3.3Å; L511-R514 HydrophobicContact CB-CG 4.49Å; L511-R514 HydrophobicContact CD2-CB 4.41Å; L511-R514 HydrophobicContact CD2-CG 3.83Å; L511-R514 WeakPolarHBondContact O-CB 3.46Å; L511-R514 PolarHBondContact O-N 2.83Å; R514-T516 PolarHBondContact O-N 3.49Å
515	D	84	Confident	86.7	Confident	117 Å²	117	80 Å²	80	63%	0.626	44%	0.439	S	S	*	.			trans	-69.3	118.8	167.6	-174.4	12.9	0	0	0	109.7	S517	D515-S517 VanDerWaalsContact CG-OG 3.28Å; D515-S517 WeakPolarHBondContact OD1-CB 3.48Å; D515-S517 PolarHBondContact OD1-N 3.14Å; D515-S517 PolarHBondContact OD1-OG 2.86Å; D515-S517 PolarHBondContact OD2-OG 3.2Å; D515-S517 VanDerWaalsContact OD2-OG 3.14Å
516	T	86.8	Confident	86.4	Confident	49 Å²	49	79.6 Å²	79.6	30%	0.301	44%	0.439	S	S	.	.			trans	-119	11.9	176.5	65.2	0	0	0	0	111.5	F505 R514 G518 F519	F505-T516 HydrophobicContact CD1-CG2 4.02Å; F505-T516 HydrophobicContact CE1-CG2 3.46Å; F505-T516 VanDerWaalsContact CE1-CG2 3.46Å; F505-T516 HydrophobicContact CE2-CG2 4.25Å; F505-T516 HydrophobicContact CZ-CG2 3.59Å; R514-T516 PolarHBondContact O-N 3.49Å; T516-G518 VanDerWaalsContact C-N 3.27Å; T516-G518 PolarHBondContact O-N 3.33Å; T516-F519 WeakPolarHBondContact O-CB 3.27Å; T516-F519 PolarHBondContact O-N 3.19Å
517	S	84.3	Confident	86.2	Confident	95 Å²	95	81.1 Å²	81.1	66%	0.664	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-34.8	-176	62.2	0	0	0	0	112.6	D515 F519	D515-S517 VanDerWaalsContact CG-OG 3.28Å; D515-S517 WeakPolarHBondContact OD1-CB 3.48Å; D515-S517 PolarHBondContact OD1-N 3.14Å; D515-S517 PolarHBondContact OD1-OG 2.86Å; D515-S517 PolarHBondContact OD2-OG 3.2Å; D515-S517 VanDerWaalsContact OD2-OG 3.14Å; S517-F519 PolarHBondContact O-N 3.42Å; S517-F519 VanDerWaalsContact O-N 3.12Å
518	G	85.7	Confident	86.2	Confident	47 Å²	47	78.1 Å²	78.1	49%	0.485	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.1	177.4	0	0	0	0	0	115.7	Y498 T516 V520	Y498-G518 PolarHBondContact OH-O 3.36Å; T516-G518 VanDerWaalsContact C-N 3.27Å; T516-G518 PolarHBondContact O-N 3.33Å; G518-V520 PolarHBondContact O-N 2.82Å
519	F	90.6	Very high	86.2	Confident	13 Å²	13	77.8 Å²	77.8	6%	0.057	43%	0.434	C	S	.	.			trans	-82.3	107.9	178	-176	-93.7	0	0	0	112	V494 A497 Y498 L502 F505 T516 S517 R521	V494-F519 HydrophobicContact CG1-CB 4.08Å; A497-F519 HydrophobicContact CB-CD2 3.83Å; A497-F519 HydrophobicContact CB-CE2 3.63Å; Y498-F519 HydrophobicContact CD1-CD2 4.12Å; Y498-F519 AromaticContact CD1-CE2 3.84Å; Y498-F519 HydrophobicContact CD1-CE2 3.84Å; Y498-F519 AromaticContact CE1-CD2 3.69Å; Y498-F519 HydrophobicContact CE1-CD2 3.69Å; Y498-F519 AromaticContact CE1-CE2 3.73Å; Y498-F519 HydrophobicContact CE1-CE2 3.73Å; L502-F519 HydrophobicContact CB-CZ 4.14Å; L502-F519 WeakPolarHBondContact O-CZ 3.48Å; F505-F519 HydrophobicContact CB-CD1 3.89Å; F505-F519 HydrophobicContact CB-CE1 4.18Å; F505-F519 HydrophobicContact CB-CG 4.29Å; F505-F519 HydrophobicContact CD2-CB 4.07Å; F505-F519 HydrophobicContact CD2-CD1 4.24Å; F505-F519 AromaticContact CD2-CD2 3.93Å; F505-F519 HydrophobicContact CD2-CD2 3.93Å; F505-F519 HydrophobicContact CD2-CE2 4.44Å; F505-F519 AromaticContact CD2-CG 3.8Å; F505-F519 HydrophobicContact CD2-CG 3.8Å; T516-F519 WeakPolarHBondContact O-CB 3.27Å; T516-F519 PolarHBondContact O-N 3.19Å; S517-F519 PolarHBondContact O-N 3.42Å; S517-F519 VanDerWaalsContact O-N 3.12Å; F519-R521 HydrophobicContact CD1-CG 4.2Å; F519-R521 HydrophobicContact CE1-CG 4.24Å; F519-R521 PolarHBondContact O-N 3.07Å
520	V	90.6	Very high	86.2	Confident	96 Å²	96	75.3 Å²	75.3	58%	0.582	44%	0.435	S	S	*	.			trans	-78.1	112.5	175.1	-176.3	0	0	0	0	110	R453 Y498 G518	R453-V520 PolarHBondContact NH2-O 2.92Å; Y498-V520 PolarHBondContact OH-N 3.22Å; G518-V520 PolarHBondContact O-N 2.82Å
521	R	89.2	Confident	86.3	Confident	190 Å²	190	74.1 Å²	74.1	72%	0.717	43%	0.427	S	S	*	.			trans	-68.2	149	177.3	-64.7	-178.1	-179.8	178.2	1.8	111.3	F519	F519-R521 HydrophobicContact CD1-CG 4.2Å; F519-R521 HydrophobicContact CE1-CG 4.24Å; F519-R521 PolarHBondContact O-N 3.07Å
522	S	88.1	Confident	86.3	Confident	32 Å²	32	78.1 Å²	78.1	22%	0.224	46%	0.456	C	S	.	.			trans	-74	148	170.6	178.7	0	0	0	0	111	L503 V524	L503-S522 PolarHBondContact O-N 3.5Å; S522-V524 PolarHBondContact O-N 3.38Å; S522-V524 WeakPolarHBondContact OG-CG2 3.48Å; S522-V524 PolarHBondContact OG-N 2.87Å
523	S	87.9	Confident	86.6	Confident	131 Å²	131	72.6 Å²	72.6	92%	0.916	44%	0.441	S	S	*	.	S	Bend	trans	-68.9	-14.1	173.5	53.8	0	0	0	0	113.4	N525	S523-N525 PolarHBondContact O-N 2.96Å
524	V	86.9	Confident	86.8	Confident	54 Å²	54	71.8 Å²	71.8	33%	0.327	43%	0.427	S	S	.	.	S	Bend	trans	-67.4	124.9	-177.8	179.2	0	0	0	0	111.2	A457 L503 S522 T526 I529	A457-V524 HydrophobicContact CB-CG1 4.18Å; A457-V524 HydrophobicContact CB-CG2 4.22Å; L503-V524 HydrophobicContact CD1-CB 4.47Å; L503-V524 HydrophobicContact CD1-CG1 4.39Å; S522-V524 PolarHBondContact O-N 3.38Å; S522-V524 WeakPolarHBondContact OG-CG2 3.48Å; S522-V524 PolarHBondContact OG-N 2.87Å; V524-T526 PolarHBondContact O-N 3.44Å; V524-I529 HydrophobicContact CG1-CD1 4.03Å; V524-I529 HydrophobicContact CG1-CG1 4.46Å
525	N	87.3	Confident	86.9	Confident	99 Å²	99	76.5 Å²	76.5	53%	0.529	45%	0.449	S	S	.	.			trans	-69.7	96.7	173	-174	-8.4	0	0	0	110.9	S523 S527 S528	S523-N525 PolarHBondContact O-N 2.96Å; N525-S527 PolarHBondContact O-N 2.85Å; N525-S527 WeakPolarHBondContact OD1-CB 3.5Å; N525-S527 PolarHBondContact OD1-N 2.86Å; N525-S528 PolarHBondContact O-N 3.4Å; N525-S528 PolarHBondContact O-OG 3.14Å
526	T	85	Confident	86.8	Confident	18 Å²	18	72.7 Å²	72.7	11%	0.11	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.2	180	59	0	0	0	0	115.2	R460 L463 L503 V524	R460-T526 PolarHBondContact NH1-O 3.22Å; L463-T526 HydrophobicContact CD2-CG2 4.25Å; L503-T526 HydrophobicContact CB-CG2 3.99Å; L503-T526 HydrophobicContact CD1-CG2 4.07Å; V524-T526 PolarHBondContact O-N 3.44Å
527	S	85.3	Confident	86.7	Confident	46 Å²	46	71.5 Å²	71.5	32%	0.322	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-25.3	179.3	-56.9	0	0	0	0	113.3	N525 R540	N525-S527 PolarHBondContact O-N 2.85Å; N525-S527 WeakPolarHBondContact OD1-CB 3.5Å; N525-S527 PolarHBondContact OD1-N 2.86Å; S527-R540 PolarHBondContact O-NH2 3.1Å
528	S	86.8	Confident	86.7	Confident	84 Å²	84	73 Å²	73	59%	0.587	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.1	-177.8	58.8	0	0	0	0	113.9	N525 P530	N525-S528 PolarHBondContact O-N 3.4Å; N525-S528 PolarHBondContact O-OG 3.14Å; S528-P530 VanDerWaalsContact O-CD 3.27Å; S528-P530 WeakPolarHBondContact O-CD 3.48Å
529	I	87.9	Confident	86.7	Confident	8 Å²	8	76.8 Å²	76.8	4%	0.041	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-71.1	117.8	-179.3	-54.3	168.8	0	0	0	109.3	A457 R460 L463 L503 V524 R540	A457-I529 WeakPolarHBondContact O-CD1 3.4Å; A457-I529 WeakPolarHBondContact O-CG1 3.35Å; A457-I529 WeakPolarHBondContact O-CG2 3.42Å; R460-I529 HydrophobicContact CB-CG2 4.08Å; L463-I529 HydrophobicContact CD2-CD1 4.01Å; L503-I529 HydrophobicContact CD1-CD1 4.13Å; V524-I529 HydrophobicContact CG1-CD1 4.03Å; V524-I529 HydrophobicContact CG1-CG1 4.46Å; I529-R540 PolarHBondContact O-NH1 2.82Å; I529-R540 VanDerWaalsContact O-NH1 3.13Å
530	P	86.8	Confident	86.4	Confident	73 Å²	73	77.8 Å²	77.8	47%	0.474	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-86.1	160.3	179.3	35.1	-33.8	0	0	0	112.2	R460 S528 E537	R460-P530 WeakPolarHBondContact CB-O 3.25Å; R460-P530 PolarHBondContact N-O 3.01Å; S528-P530 VanDerWaalsContact O-CD 3.27Å; S528-P530 WeakPolarHBondContact O-CD 3.48Å; P530-E537 WeakPolarHBondContact CA-OE2 3.43Å; P530-E537 HydrophobicContact CB-CG 4.35Å
531	Y	87	Confident	86.2	Confident	43 Å²	43	77.8 Å²	77.8	17%	0.169	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-66.5	142.8	160.2	-76.4	-83.5	0	0	0	110.3	R460 E461 E464 N533 E537 R540	R460-Y531 HydrophobicContact CB-CD1 4.18Å; R460-Y531 HydrophobicContact CB-CD2 4.36Å; R460-Y531 HydrophobicContact CB-CE1 4.36Å; R460-Y531 HydrophobicContact CB-CG 4.15Å; R460-Y531 HydrophobicContact CG-CD1 4.14Å; R460-Y531 HydrophobicContact CG-CD2 3.81Å; R460-Y531 HydrophobicContact CG-CE1 3.94Å; R460-Y531 HydrophobicContact CG-CE2 3.65Å; R460-Y531 HydrophobicContact CG-CG 4.06Å; E461-Y531 HydrophobicContact CG-CD1 3.42Å; E461-Y531 VanDerWaalsContact CG-CD1 3.42Å; E461-Y531 HydrophobicContact CG-CE1 3.68Å; E464-Y531 PolarHBondContact OE1-OH 3.34Å; E464-Y531 PolarHBondContact OE2-OH 3.36Å; Y531-N533 VanDerWaalsContact C-N 3.26Å; Y531-N533 PolarHBondContact O-N 3.24Å; Y531-E537 WeakPolarHBondContact CD2-OE2 3.19Å; Y531-E537 PolarHBondContact N-OE2 3.16Å; Y531-R540 HydrophobicContact CD2-CB 4.14Å; Y531-R540 HydrophobicContact CE2-CB 3.9Å; Y531-R540 HydrophobicContact CE2-CG 4.11Å
532	S	85.5	Confident	86	Confident	93 Å²	93	71 Å²	71	65%	0.65	40%	0.403	S	S	*	.	S	Bend	trans	-68.4	-29.5	173.6	-56.6	0	0	0	0	111.7	P534	S532-P534 WeakPolarHBondContact O-CD 3.46Å
533	N	87.2	Confident	85.8	Confident	72 Å²	72	72.6 Å²	72.6	39%	0.385	41%	0.408	S	S	.	.	S	Bend	trans	-85.9	118.9	174	-176	-9.2	0	0	0	110.8	Y531 K535 S536 E537	Y531-N533 VanDerWaalsContact C-N 3.26Å; Y531-N533 PolarHBondContact O-N 3.24Å; N533-K535 VanDerWaalsContact C-N 3.3Å; N533-K535 PolarHBondContact O-N 3.47Å; N533-K535 PolarHBondContact OD1-N 3.38Å; N533-S536 PolarHBondContact O-N 3.32Å; N533-S536 VanDerWaalsContact O-N 3.12Å; N533-E537 PolarHBondContact O-N 3.46Å; N533-E537 VanDerWaalsContact O-N 3.16Å
534	P	84.9	Confident	85.6	Confident	88 Å²	88	73.5 Å²	73.5	57%	0.571	39%	0.391	S	S	*	.	H	α-helix	trans	-53.5	-42.4	-180	-27.3	34.8	0	0	0	113.7	S532 S536 E537 E538	S532-P534 WeakPolarHBondContact O-CD 3.46Å; P534-S536 VanDerWaalsContact C-N 3.32Å; P534-S536 PolarHBondContact O-N 3.01Å; P534-E537 PolarHBondContact O-N 3.21Å; P534-E537 VanDerWaalsContact O-N 3.09Å; P534-E538 WeakPolarHBondContact O-CG 3.41Å; P534-E538 PolarHBondContact O-N 3.31Å
535	K	86.2	Confident	85.3	Confident	159 Å²	159	77.1 Å²	77.1	69%	0.691	41%	0.405	S	S	*	.	H	α-helix	trans	-62.5	-38.6	-179.3	-65.2	-174.4	178.6	-175.9	0	112.6	N533 E537 Q539	N533-K535 VanDerWaalsContact C-N 3.3Å; N533-K535 PolarHBondContact O-N 3.47Å; N533-K535 PolarHBondContact OD1-N 3.38Å; K535-E537 VanDerWaalsContact C-N 3.33Å; K535-Q539 WeakPolarHBondContact O-CB 3.35Å; K535-Q539 PolarHBondContact O-N 3.49Å; K535-Q539 VanDerWaalsContact O-N 3.12Å
536	S	82.7	Confident	85	Confident	36 Å²	36	78.2 Å²	78.2	25%	0.252	41%	0.407	S	S	.	.	H	α-helix	trans	-71.1	-32	177.5	-60.1	0	0	0	0	111.7	N533 P534 R540	N533-S536 PolarHBondContact O-N 3.32Å; N533-S536 VanDerWaalsContact O-N 3.12Å; P534-S536 VanDerWaalsContact C-N 3.32Å; P534-S536 PolarHBondContact O-N 3.01Å; S536-R540 WeakPolarHBondContact O-CB 3.43Å; S536-R540 PolarHBondContact O-N 3.06Å; S536-R540 VanDerWaalsContact O-N 3.08Å
537	E	84.6	Confident	84.7	Confident	25 Å²	25	86.1 Å²	86.1	12%	0.117	43%	0.434	C	S	.	.	H	α-helix	trans	-71.6	-43.5	174.8	-171.6	55.6	-151	0	0	111.9	P530 Y531 N533 P534 K535 Q539 R540 Q541	P530-E537 WeakPolarHBondContact CA-OE2 3.43Å; P530-E537 HydrophobicContact CB-CG 4.35Å; Y531-E537 WeakPolarHBondContact CD2-OE2 3.19Å; Y531-E537 PolarHBondContact N-OE2 3.16Å; N533-E537 PolarHBondContact O-N 3.46Å; N533-E537 VanDerWaalsContact O-N 3.16Å; P534-E537 PolarHBondContact O-N 3.21Å; P534-E537 VanDerWaalsContact O-N 3.09Å; K535-E537 VanDerWaalsContact C-N 3.33Å; E537-Q539 VanDerWaalsContact C-N 3.35Å; E537-Q539 PolarHBondContact O-N 3.48Å; E537-R540 WeakPolarHBondContact O-CB 3.49Å; E537-R540 PolarHBondContact O-N 3.16Å; E537-R540 VanDerWaalsContact O-N 3.13Å; E537-R540 IonicContact OE1-CZ 3.48Å; E537-R540 IonicContact OE1-NH1 3.33Å; E537-R540 PolarHBondContact OE1-NH1 3.25Å; E537-R540 IonicContact OE2-NH1 3.76Å; E537-R540 PolarHBondContact OE2-NH1 3.19Å; E537-Q541 WeakPolarHBondContact O-CG 3.42Å; E537-Q541 PolarHBondContact O-N 3.06Å; E537-Q541 PolarHBondContact OE1-NE2 3.14Å
538	E	84.4	Confident	84.2	Confident	127 Å²	127	85.4 Å²	85.4	59%	0.593	44%	0.435	S	S	*	.	H	α-helix	trans	-56.6	-48.6	173.9	-73.6	170.7	-172.1	0	0	111.4	P534 R540 Q541 S542	P534-E538 WeakPolarHBondContact O-CG 3.41Å; P534-E538 PolarHBondContact O-N 3.31Å; E538-R540 VanDerWaalsContact C-N 3.28Å; E538-R540 PolarHBondContact O-N 3.12Å; E538-Q541 PolarHBondContact O-N 2.97Å; E538-Q541 VanDerWaalsContact O-N 3.14Å; E538-S542 PolarHBondContact O-N 3.29Å
539	Q	85.7	Confident	83.6	Confident	125 Å²	125	86 Å²	86	58%	0.584	43%	0.431	S	S	*	.	H	α-helix	trans	-61.1	-36.2	176.9	-171.5	-179.8	18.2	0	0	112.4	K535 E537 S542 I543	K535-Q539 WeakPolarHBondContact O-CB 3.35Å; K535-Q539 PolarHBondContact O-N 3.49Å; K535-Q539 VanDerWaalsContact O-N 3.12Å; E537-Q539 VanDerWaalsContact C-N 3.35Å; E537-Q539 PolarHBondContact O-N 3.48Å; Q539-S542 PolarHBondContact O-OG 3.39Å; Q539-I543 HydrophobicContact CG-CD1 4.16Å; Q539-I543 WeakPolarHBondContact O-CD1 3.44Å; Q539-I543 VanDerWaalsContact O-CG1 3.24Å; Q539-I543 WeakPolarHBondContact O-CG1 3.44Å; Q539-I543 PolarHBondContact O-N 3.05Å
540	R	84.2	Confident	82.8	Confident	34 Å²	34	89 Å²	89	13%	0.128	45%	0.45	C	S	.	.	H	α-helix	trans	-67.7	-42.8	175.5	179	-165.6	167.9	-140.1	2.9	111.1	S527 I529 Y531 S536 E537 E538 R544	S527-R540 PolarHBondContact O-NH2 3.1Å; I529-R540 PolarHBondContact O-NH1 2.82Å; I529-R540 VanDerWaalsContact O-NH1 3.13Å; Y531-R540 HydrophobicContact CD2-CB 4.14Å; Y531-R540 HydrophobicContact CE2-CB 3.9Å; Y531-R540 HydrophobicContact CE2-CG 4.11Å; S536-R540 WeakPolarHBondContact O-CB 3.43Å; S536-R540 PolarHBondContact O-N 3.06Å; S536-R540 VanDerWaalsContact O-N 3.08Å; E537-R540 WeakPolarHBondContact O-CB 3.49Å; E537-R540 PolarHBondContact O-N 3.16Å; E537-R540 VanDerWaalsContact O-N 3.13Å; E537-R540 IonicContact OE1-CZ 3.48Å; E537-R540 IonicContact OE1-NH1 3.33Å; E537-R540 PolarHBondContact OE1-NH1 3.25Å; E537-R540 IonicContact OE2-NH1 3.76Å; E537-R540 PolarHBondContact OE2-NH1 3.19Å; E538-R540 VanDerWaalsContact C-N 3.28Å; E538-R540 PolarHBondContact O-N 3.12Å; R540-R544 WeakPolarHBondContact O-CB 3.27Å; R540-R544 PolarHBondContact O-N 3.32Å
541	Q	86	Confident	81.7	Confident	97 Å²	97	88.7 Å²	88.7	45%	0.453	45%	0.449	S	S	.	.	H	α-helix	trans	-65.9	-40.9	-179.7	-71.2	-179.2	11.7	0	0	111.3	E537 E538 R544 Q545	E537-Q541 WeakPolarHBondContact O-CG 3.42Å; E537-Q541 PolarHBondContact O-N 3.06Å; E537-Q541 PolarHBondContact OE1-NE2 3.14Å; E538-Q541 PolarHBondContact O-N 2.97Å; E538-Q541 VanDerWaalsContact O-N 3.14Å; Q541-R544 PolarHBondContact O-N 3.27Å; Q541-Q545 WeakPolarHBondContact O-CG 3.49Å; Q541-Q545 PolarHBondContact O-N 3.23Å
542	S	84.8	Confident	80.5	Confident	48 Å²	48	93.8 Å²	93.8	34%	0.336	47%	0.472	S	S	.	.	H	α-helix	trans	-60.4	-50.8	174.6	65.8	0	0	0	0	111.7	E538 Q539 R544 Q545 E546	E538-S542 PolarHBondContact O-N 3.29Å; Q539-S542 PolarHBondContact O-OG 3.39Å; S542-R544 PolarHBondContact O-N 3.33Å; S542-Q545 PolarHBondContact O-N 3.08Å; S542-Q545 VanDerWaalsContact O-N 3.11Å; S542-E546 WeakPolarHBondContact O-CG 3.33Å; S542-E546 PolarHBondContact O-N 2.69Å
543	I	84.8	Confident	79.2	Confident	65 Å²	65	96.8 Å²	96.8	33%	0.333	47%	0.474	S	S	.	.	H	α-helix	trans	-59	-36	176.4	-66.6	167.4	0	0	0	111.3	Q539 R547	Q539-I543 HydrophobicContact CG-CD1 4.16Å; Q539-I543 WeakPolarHBondContact O-CD1 3.44Å; Q539-I543 VanDerWaalsContact O-CG1 3.24Å; Q539-I543 WeakPolarHBondContact O-CG1 3.44Å; Q539-I543 PolarHBondContact O-N 3.05Å; I543-R547 WeakPolarHBondContact O-CB 3.37Å; I543-R547 VanDerWaalsContact O-CG 3.27Å; I543-R547 WeakPolarHBondContact O-CG 3.39Å; I543-R547 PolarHBondContact O-N 3.21Å
544	R	83.6	Confident	77.7	Confident	150 Å²	150	96.2 Å²	96.2	57%	0.566	47%	0.474	S	S	*	.	H	α-helix	trans	-70.1	-41.1	178	-172.9	179.5	178.4	-173.5	-2.7	111.9	R540 Q541 S542 R547 G548	R540-R544 WeakPolarHBondContact O-CB 3.27Å; R540-R544 PolarHBondContact O-N 3.32Å; Q541-R544 PolarHBondContact O-N 3.27Å; S542-R544 PolarHBondContact O-N 3.33Å; R544-R547 PolarHBondContact O-N 3.39Å; R544-G548 PolarHBondContact O-N 3.09Å
545	Q	81.5	Confident	76.4	Confident	130 Å²	130	100.6 Å²	100.6	61%	0.607	48%	0.48	S	S	*	.	H	α-helix	trans	-64.3	-44.6	175.1	-72.5	176.2	4.3	0	0	110.8	Q541 S542 R547 G548 N549	Q541-Q545 WeakPolarHBondContact O-CG 3.49Å; Q541-Q545 PolarHBondContact O-N 3.23Å; S542-Q545 PolarHBondContact O-N 3.08Å; S542-Q545 VanDerWaalsContact O-N 3.11Å; Q545-R547 PolarHBondContact O-N 3.22Å; Q545-G548 PolarHBondContact O-N 3.33Å; Q545-N549 WeakPolarHBondContact O-CB 3.46Å; Q545-N549 VanDerWaalsContact O-CG 3.24Å; Q545-N549 PolarHBondContact O-N 2.9Å; Q545-N549 PolarHBondContact O-ND2 3.36Å
546	E	79.5	Confident	74.9	Confident	121 Å²	121	96.5 Å²	96.5	57%	0.565	47%	0.468	S	S	*	.	H	α-helix	trans	-56.8	-51	174.3	-73	174.2	-176.9	0	0	111.5	S542 G548 N549 V550	S542-E546 WeakPolarHBondContact O-CG 3.33Å; S542-E546 PolarHBondContact O-N 2.69Å; E546-G548 VanDerWaalsContact C-N 3.31Å; E546-G548 PolarHBondContact O-N 3.12Å; E546-N549 PolarHBondContact O-N 2.89Å; E546-V550 WeakPolarHBondContact O-CG2 3.42Å; E546-V550 PolarHBondContact O-N 3.19Å
547	R	78.9	Confident	73.6	Confident	184 Å²	184	100 Å²	100	69%	0.694	48%	0.484	S	S	*	.	H	α-helix	trans	-62.7	-37	176.9	-73.6	177.4	177.3	-163.1	-0.9	112.7	I543 R544 Q545 S551	I543-R547 WeakPolarHBondContact O-CB 3.37Å; I543-R547 VanDerWaalsContact O-CG 3.27Å; I543-R547 WeakPolarHBondContact O-CG 3.39Å; I543-R547 PolarHBondContact O-N 3.21Å; R544-R547 PolarHBondContact O-N 3.39Å; Q545-R547 PolarHBondContact O-N 3.22Å; R547-S551 WeakPolarHBondContact O-CB 3.35Å; R547-S551 PolarHBondContact O-N 3.01Å
548	G	75.6	Confident	71.9	Confident	32 Å²	32	105.5 Å²	105.5	33%	0.33	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-43.1	174.7	0	0	0	0	0	112.1	R544 Q545 E546 S551 K552	R544-G548 PolarHBondContact O-N 3.09Å; Q545-G548 PolarHBondContact O-N 3.33Å; E546-G548 VanDerWaalsContact C-N 3.31Å; E546-G548 PolarHBondContact O-N 3.12Å; G548-S551 PolarHBondContact O-N 3.32Å; G548-K552 WeakPolarHBondContact O-CB 3.12Å; G548-K552 WeakPolarHBondContact O-CG 3.5Å; G548-K552 PolarHBondContact O-N 2.92Å
549	N	74.3	Confident	70.3	Confident	95 Å²	95	105.9 Å²	105.9	51%	0.508	51%	0.505	S	S	.	.	H	α-helix	trans	-67.6	-41.1	177.9	-70.9	-16.6	0	0	0	111.9	Q545 E546 K552 K553	Q545-N549 WeakPolarHBondContact O-CB 3.46Å; Q545-N549 VanDerWaalsContact O-CG 3.24Å; Q545-N549 PolarHBondContact O-N 2.9Å; Q545-N549 PolarHBondContact O-ND2 3.36Å; E546-N549 PolarHBondContact O-N 2.89Å; N549-K552 PolarHBondContact O-N 3.14Å; N549-K553 WeakPolarHBondContact O-CB 3.41Å; N549-K553 PolarHBondContact O-N 3.13Å
550	V	70.4	Confident	68.5	Low	72 Å²	72	107.7 Å²	107.7	44%	0.436	51%	0.511	S	S	.	.	H	α-helix	trans	-62.1	-45.4	173.1	174.5	0	0	0	0	110.7	E546 K552 K553 C554	E546-V550 WeakPolarHBondContact O-CG2 3.42Å; E546-V550 PolarHBondContact O-N 3.19Å; V550-K552 PolarHBondContact O-N 2.95Å; V550-K553 PolarHBondContact O-N 3.35Å; V550-C554 PolarHBondContact O-N 3.05Å
551	S	63.2	Low	66.7	Low	66 Å²	66	110.1 Å²	110.1	46%	0.462	53%	0.53	S	S	.	.	H	α-helix	trans	-66.5	-35.1	178.8	-170.3	0	0	0	0	113	R547 G548 R555	R547-S551 WeakPolarHBondContact O-CB 3.35Å; R547-S551 PolarHBondContact O-N 3.01Å; G548-S551 PolarHBondContact O-N 3.32Å; S551-R555 WeakPolarHBondContact O-CB 3.46Å; S551-R555 WeakPolarHBondContact O-CG 3.41Å; S551-R555 PolarHBondContact O-N 3.33Å
552	K	63.1	Low	64.9	Low	150 Å²	150	112 Å²	112	65%	0.652	54%	0.543	S	S	*	.	H	α-helix	trans	-67.6	-46	173.7	-77	-179.9	-179.8	-178.9	0	111.1	G548 N549 V550 C554 R555 T556	G548-K552 WeakPolarHBondContact O-CB 3.12Å; G548-K552 WeakPolarHBondContact O-CG 3.5Å; G548-K552 PolarHBondContact O-N 2.92Å; N549-K552 PolarHBondContact O-N 3.14Å; V550-K552 PolarHBondContact O-N 2.95Å; K552-C554 PolarHBondContact O-N 2.89Å; K552-R555 PolarHBondContact O-N 3.13Å; K552-R555 VanDerWaalsContact O-N 3.1Å; K552-T556 PolarHBondContact O-N 3.08Å; K552-T556 PolarHBondContact O-OG1 2.84Å
553	K	58	Low	63.2	Low	156 Å²	156	116.9 Å²	116.9	68%	0.678	57%	0.565	S	S	*	*	H	α-helix	trans	-58.8	-41.7	174.1	-82	-176.2	176.4	-179.6	0	112.5	N549 V550 T556 N557	N549-K553 WeakPolarHBondContact O-CB 3.41Å; N549-K553 PolarHBondContact O-N 3.13Å; V550-K553 PolarHBondContact O-N 3.35Å; K553-T556 WeakPolarHBondContact CA-OG1 3.4Å; K553-T556 PolarHBondContact O-OG1 3.09Å; K553-T556 VanDerWaalsContact O-OG1 3.13Å; K553-N557 WeakPolarHBondContact O-CB 3.19Å; K553-N557 PolarHBondContact O-N 3.48Å
554	C	54.7	Low	61.1	Low	60 Å²	60	119.7 Å²	119.7	41%	0.405	58%	0.58	S	S	.	*	H	α-helix	trans	-66.9	-34	174.5	-77.6	0	0	0	0	112.9	V550 K552 R558	V550-C554 PolarHBondContact O-N 3.05Å; K552-C554 PolarHBondContact O-N 2.89Å; C554-R558 WeakPolarHBondContact O-CB 3.4Å; C554-R558 WeakPolarHBondContact O-CG 3.39Å; C554-R558 PolarHBondContact O-N 3.12Å
555	R	57.3	Low	58.8	Low	181 Å²	181	121.8 Å²	121.8	68%	0.683	59%	0.594	S	S	*	*	H	α-helix	trans	-71.4	-42.9	176.1	-85.7	-177.7	165	177.8	-5.1	112.5	S551 K552 R558 Q559	S551-R555 WeakPolarHBondContact O-CB 3.46Å; S551-R555 WeakPolarHBondContact O-CG 3.41Å; S551-R555 PolarHBondContact O-N 3.33Å; K552-R555 PolarHBondContact O-N 3.13Å; K552-R555 VanDerWaalsContact O-N 3.1Å; R555-R558 PolarHBondContact O-N 3.44Å; R555-Q559 PolarHBondContact O-N 3.34Å
556	T	56.6	Low	56.3	Low	73 Å²	73	120.8 Å²	120.8	45%	0.448	60%	0.601	S	S	.	*	H	α-helix	trans	-66.4	-36.8	174.9	39.5	0	0	0	0	112	K552 K553 K560	K552-T556 PolarHBondContact O-N 3.08Å; K552-T556 PolarHBondContact O-OG1 2.84Å; K553-T556 WeakPolarHBondContact CA-OG1 3.4Å; K553-T556 PolarHBondContact O-OG1 3.09Å; K553-T556 VanDerWaalsContact O-OG1 3.13Å; T556-K560 WeakPolarHBondContact O-CG 3.45Å; T556-K560 PolarHBondContact O-N 3.3Å
557	N	54.2	Low	54.1	Low	108 Å²	108	124.1 Å²	124.1	58%	0.578	61%	0.614	S	S	*	*	H	α-helix	trans	-68.3	-33.4	171.9	-85.3	0.6	0	0	0	113.1	K553 T561	K553-N557 WeakPolarHBondContact O-CB 3.19Å; K553-N557 PolarHBondContact O-N 3.48Å; N557-T561 WeakPolarHBondContact O-CB 3.4Å; N557-T561 WeakPolarHBondContact O-CG2 3.46Å; N557-T561 PolarHBondContact O-N 2.81Å; N557-T561 VanDerWaalsContact O-N 3.11Å; N557-T561 PolarHBondContact O-OG1 3.09Å
558	R	48.5	Very low	51.9	Low	141 Å²	141	125.5 Å²	125.5	53%	0.532	63%	0.625	S	S	.	*	H	α-helix	trans	-68.2	-45.3	172.4	-83.3	-175	179.8	173.9	2.1	112.5	C554 R555 K560 T561 D562	C554-R558 WeakPolarHBondContact O-CB 3.4Å; C554-R558 WeakPolarHBondContact O-CG 3.39Å; C554-R558 PolarHBondContact O-N 3.12Å; R555-R558 PolarHBondContact O-N 3.44Å; R558-K560 VanDerWaalsContact C-N 3.29Å; R558-K560 PolarHBondContact O-N 2.92Å; R558-T561 VanDerWaalsContact CA-OG1 3.3Å; R558-T561 WeakPolarHBondContact CA-OG1 3.27Å; R558-T561 CarbonylContact O-C 3.56Å; R558-T561 PolarHBondContact O-N 3.36Å; R558-T561 PolarHBondContact O-OG1 2.94Å; R558-T561 VanDerWaalsContact O-OG1 3.06Å; R558-D562 PolarHBondContact O-N 3.34Å
559	Q	50.6	Low	49.7	Very low	135 Å²	135	135.6 Å²	135.6	63%	0.631	65%	0.653	S	S	*	*	H	α-helix	trans	-62.8	-34	175.7	-77.6	175.8	-22.2	0	0	113	R555 T561	R555-Q559 PolarHBondContact O-N 3.34Å; Q559-T561 VanDerWaalsContact C-N 3.34Å
560	K	49.1	Very low	47.7	Very low	163 Å²	163	140.5 Å²	140.5	71%	0.709	67%	0.672	S	S	*	*	H	α-helix	trans	-73.6	-22	172.4	-75.8	-175.1	176.1	-174.4	0	114	T556 R558	T556-K560 WeakPolarHBondContact O-CG 3.45Å; T556-K560 PolarHBondContact O-N 3.3Å; R558-K560 VanDerWaalsContact C-N 3.29Å; R558-K560 PolarHBondContact O-N 2.92Å
561	T	46.4	Very low	45.9	Very low	86 Å²	86	140.2 Å²	140.2	53%	0.528	68%	0.684	S	S	.	*	H	α-helix	trans	-94.1	-23.8	178.1	42.7	0	0	0	0	113	N557 R558 Q559 L563 N564	N557-T561 WeakPolarHBondContact O-CB 3.4Å; N557-T561 WeakPolarHBondContact O-CG2 3.46Å; N557-T561 PolarHBondContact O-N 2.81Å; N557-T561 VanDerWaalsContact O-N 3.11Å; N557-T561 PolarHBondContact O-OG1 3.09Å; R558-T561 VanDerWaalsContact CA-OG1 3.3Å; R558-T561 WeakPolarHBondContact CA-OG1 3.27Å; R558-T561 CarbonylContact O-C 3.56Å; R558-T561 PolarHBondContact O-N 3.36Å; R558-T561 PolarHBondContact O-OG1 2.94Å; R558-T561 VanDerWaalsContact O-OG1 3.06Å; Q559-T561 VanDerWaalsContact C-N 3.34Å; T561-L563 VanDerWaalsContact C-N 3.26Å; T561-L563 PolarHBondContact O-N 2.98Å; T561-N564 CarbonylContact O-C 3.51Å; T561-N564 PolarHBondContact O-N 3.16Å
562	D	48.1	Very low	44.5	Very low	135 Å²	135	145.2 Å²	145.2	72%	0.722	69%	0.693	S	S	*	*	H	α-helix	trans	-72	-16.6	175.3	-72	-33	0	0	0	113.3	R558	R558-D562 PolarHBondContact O-N 3.34Å
563	L	48.6	Very low	43.3	Very low	151 Å²	151	142 Å²	142	79%	0.791	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-6.8	172.5	-85.7	147.4	0	0	0	113.8	T561	T561-L563 VanDerWaalsContact C-N 3.26Å; T561-L563 PolarHBondContact O-N 2.98Å
564	N	40.9	Very low	42.2	Very low	124 Å²	124	140.2 Å²	140.2	66%	0.663	69%	0.691	S	S	*	*	S	Bend	trans	-140.5	104.5	-178.6	-94.2	-33.2	0	0	0	110.7	T561	T561-N564 CarbonylContact O-C 3.51Å; T561-N564 PolarHBondContact O-N 3.16Å
565	K	34.5	Very low	41.6	Very low	195 Å²	195	140.7 Å²	140.7	85%	0.848	69%	0.689	S	S	*	*			trans	89.3	105.1	163.8	-59.4	175.6	176	173.1	0	117.9
566	S	30.7	Very low	41	Very low	109 Å²	109	137 Å²	137	76%	0.762	68%	0.683	S	S	*	*	S	Bend		-30.3	134.5	130	166.3	0	0	0	0	112.3
567	K	32.8	Very low	40.5	Very low	191 Å²	191	137 Å²	137	83%	0.83	69%	0.691	S	S	*	*			trans	103.5	128.6	177.3	-59.4	174.3	178.7	178	0	115.3
568	K	31.8	Very low	40.1	Very low	212 Å²	212	141.3 Å²	141.3	92%	0.922	70%	0.699	S	S	*	*			trans	87.7	79.8	172.3	-61.7	-179.6	176.1	176.4	0	117	H570	K568-H570 PolarHBondContact O-N 2.99Å
569	R	29.8	Very low	40.1	Very low	244 Å²	244	138.4 Å²	138.4	92%	0.921	69%	0.694	S	S	*	*			trans	-61.1	119.1	152.3	-78.1	176.6	156.8	177.8	-5.6	109.1
570	H	33.2	Very low	40.4	Very low	198 Å²	198	133.3 Å²	133.3	92%	0.917	67%	0.67	S	S	*	*			trans	-168.8	95	143.7	-103.2	63.5	0	0	0	108.5	K568	K568-H570 PolarHBondContact O-N 2.99Å
571	G	32.8	Very low	41.2	Very low	66 Å²	66	128 Å²	128	68%	0.68	66%	0.657	S	S	*	*			trans	-94.8	101.5	177.6	0	0	0	0	0	111.6
572	R	33.4	Very low	42.1	Very low	171 Å²	171	129.7 Å²	129.7	65%	0.645	66%	0.659	S	S	*	*			trans	-81.2	130.1	171.3	-110	175	175.3	167.1	-4.2	110.8
573	S	37.2	Very low	42.9	Very low	84 Å²	84	127.3 Å²	127.3	59%	0.587	65%	0.646	S	S	*	*			trans	-70.2	137.1	161.6	59.2	0	0	0	0	109.4	I575	S573-I575 VanDerWaalsContact C-N 3.35Å; S573-I575 PolarHBondContact O-N 3.38Å
574	V	36.1	Very low	44.1	Very low	118 Å²	118	123.2 Å²	123.2	72%	0.715	63%	0.625	S	S	*	*			trans	-61.9	93.2	175	-177.5	0	0	0	0	109.8
575	I	41	Very low	45.7	Very low	69 Å²	69	121.7 Å²	121.7	35%	0.354	62%	0.617	S	S	.	*	S	Bend	trans	-113.6	141.5	151.3	-61.5	162.7	0	0	0	102.3	S573 A577 D579 L580	S573-I575 VanDerWaalsContact C-N 3.35Å; S573-I575 PolarHBondContact O-N 3.38Å; I575-A577 PolarHBondContact O-N 3.06Å; I575-A577 VanDerWaalsContact O-N 3.16Å; I575-D579 HydrophobicContact CG2-CB 4.49Å; I575-L580 HydrophobicContact CB-CD1 3.57Å; I575-L580 HydrophobicContact CB-CG 3.93Å; I575-L580 HydrophobicContact CD1-CD1 4.18Å; I575-L580 HydrophobicContact CD1-CG 4.36Å; I575-L580 HydrophobicContact CG1-CD1 4.36Å; I575-L580 HydrophobicContact CG2-CD1 4.12Å; I575-L580 HydrophobicContact CG2-CG 3.9Å
576	D	43.9	Very low	47.8	Very low	104 Å²	104	114.6 Å²	114.6	56%	0.556	59%	0.588	S	S	*	*			trans	-44.6	125	-175.1	-151	-22.8	0	0	0	110.4	R578 D579 L580	D576-R578 PolarHBondContact O-N 3.06Å; D576-R578 VanDerWaalsContact O-N 3.09Å; D576-D579 HydrophobicContact CB-CB 4.13Å; D576-D579 PolarHBondContact O-N 2.92Å; D576-D579 VanDerWaalsContact O-N 3.09Å; D576-L580 PolarHBondContact O-N 2.86Å
577	A	47.2	Very low	50	Low	74 Å²	74	116.7 Å²	116.7	61%	0.612	58%	0.58	S	S	*	*	H	α-helix	trans	-63.3	-21.6	-169.2	0	0	0	0	0	111.7	I575 A581	I575-A577 PolarHBondContact O-N 3.06Å; I575-A577 VanDerWaalsContact O-N 3.16Å; A577-A581 VanDerWaalsContact O-CB 3.31Å; A577-A581 WeakPolarHBondContact O-CB 3.38Å; A577-A581 PolarHBondContact O-N 2.87Å
578	R	44.9	Very low	52.3	Low	198 Å²	198	114.7 Å²	114.7	75%	0.747	57%	0.568	S	S	*	*	H	α-helix	trans	-72.6	-54.8	170	-77	-179.1	172.5	173.7	-3.5	112	D576 L580 A581 E582	D576-R578 PolarHBondContact O-N 3.06Å; D576-R578 VanDerWaalsContact O-N 3.09Å; R578-L580 VanDerWaalsContact C-N 3.27Å; R578-L580 PolarHBondContact O-N 2.85Å; R578-A581 WeakPolarHBondContact O-CB 3.49Å; R578-A581 PolarHBondContact O-N 3.25Å; R578-E582 PolarHBondContact O-N 2.96Å
579	D	49.6	Very low	54.6	Low	80 Å²	80	104.9 Å²	104.9	43%	0.428	53%	0.525	S	S	.	.	H	α-helix	trans	-58.1	-37.1	179.2	-63.9	-2.8	0	0	0	113.1	I575 D576 L583	I575-D579 HydrophobicContact CG2-CB 4.49Å; D576-D579 HydrophobicContact CB-CB 4.13Å; D576-D579 PolarHBondContact O-N 2.92Å; D576-D579 VanDerWaalsContact O-N 3.09Å; D579-L583 WeakPolarHBondContact O-CB 3.31Å; D579-L583 WeakPolarHBondContact O-CD1 3.24Å; D579-L583 WeakPolarHBondContact O-CG 3.5Å; D579-L583 PolarHBondContact O-N 3.21Å; D579-L583 VanDerWaalsContact O-N 3.08Å
580	L	57	Low	57	Low	27 Å²	27	96.7 Å²	96.7	14%	0.141	50%	0.499	C	S	.	.	H	α-helix	trans	-72.3	-30.8	176.7	-109.4	169.6	0	0	0	112.9	I575 D576 R578 D584	I575-L580 HydrophobicContact CB-CD1 3.57Å; I575-L580 HydrophobicContact CB-CG 3.93Å; I575-L580 HydrophobicContact CD1-CD1 4.18Å; I575-L580 HydrophobicContact CD1-CG 4.36Å; I575-L580 HydrophobicContact CG1-CD1 4.36Å; I575-L580 HydrophobicContact CG2-CD1 4.12Å; I575-L580 HydrophobicContact CG2-CG 3.9Å; D576-L580 PolarHBondContact O-N 2.86Å; R578-L580 VanDerWaalsContact C-N 3.27Å; R578-L580 PolarHBondContact O-N 2.85Å; L580-D584 WeakPolarHBondContact O-CB 3.27Å; L580-D584 PolarHBondContact O-N 3.21Å
581	A	66.3	Low	59.3	Low	53 Å²	53	92.7 Å²	92.7	44%	0.438	48%	0.479	S	S	.	.	H	α-helix	trans	-77	-40.9	177.2	0	0	0	0	0	110.9	A577 R578 D584 N585	A577-A581 VanDerWaalsContact O-CB 3.31Å; A577-A581 WeakPolarHBondContact O-CB 3.38Å; A577-A581 PolarHBondContact O-N 2.87Å; R578-A581 WeakPolarHBondContact O-CB 3.49Å; R578-A581 PolarHBondContact O-N 3.25Å; A581-D584 PolarHBondContact O-N 3.2Å; A581-N585 WeakPolarHBondContact O-CB 3.4Å; A581-N585 PolarHBondContact O-N 3.14Å
582	E	64.9	Low	61.9	Low	120 Å²	120	95.2 Å²	95.2	56%	0.561	47%	0.468	S	S	*	.	H	α-helix	trans	-60.4	-50.8	173.5	-74.4	175.4	-171.6	0	0	111	R578 D584 N585 D586	R578-E582 PolarHBondContact O-N 2.96Å; E582-D584 VanDerWaalsContact C-N 3.3Å; E582-D584 PolarHBondContact O-N 2.93Å; E582-N585 WeakPolarHBondContact O-CB 3.34Å; E582-N585 PolarHBondContact O-N 2.89Å; E582-D586 PolarHBondContact O-N 3.32Å
583	L	65.5	Low	64.3	Low	86 Å²	86	89.7 Å²	89.7	45%	0.45	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-33.3	176.7	-78.3	165.6	0	0	0	113.9	D579 Y587	D579-L583 WeakPolarHBondContact O-CB 3.31Å; D579-L583 WeakPolarHBondContact O-CD1 3.24Å; D579-L583 WeakPolarHBondContact O-CG 3.5Å; D579-L583 PolarHBondContact O-N 3.21Å; D579-L583 VanDerWaalsContact O-N 3.08Å; L583-Y587 WeakPolarHBondContact O-CB 3.33Å; L583-Y587 PolarHBondContact O-N 2.95Å; L583-Y587 VanDerWaalsContact O-N 3.15Å
584	D	72.6	Confident	66.4	Low	64 Å²	64	94.1 Å²	94.1	34%	0.342	46%	0.46	S	S	.	.	H	α-helix	trans	-73.5	-33.1	176.2	-159.7	54.2	0	0	0	111.2	L580 A581 E582 R588	L580-D584 WeakPolarHBondContact O-CB 3.27Å; L580-D584 PolarHBondContact O-N 3.21Å; A581-D584 PolarHBondContact O-N 3.2Å; E582-D584 VanDerWaalsContact C-N 3.3Å; E582-D584 PolarHBondContact O-N 2.93Å; D584-R588 VanDerWaalsContact O-CG 3.27Å; D584-R588 WeakPolarHBondContact O-CG 3.42Å; D584-R588 PolarHBondContact O-N 3.2Å; D584-R588 VanDerWaalsContact O-N 3.1Å; D584-R588 IonicContact OD2-CZ 2.7Å; D584-R588 IonicContact OD2-NE 2.7Å; D584-R588 PolarHBondContact OD2-NE 2.88Å; D584-R588 IonicContact OD2-NH2 3.28Å; D584-R588 PolarHBondContact OD2-NH2 3.48Å
585	N	74.9	Confident	68.9	Low	92 Å²	92	94.8 Å²	94.8	49%	0.492	45%	0.453	S	S	.	.	H	α-helix	trans	-69.4	-46.3	175.8	-149.1	21.3	0	0	0	111.2	A581 E582 Y587 R588 L589	A581-N585 WeakPolarHBondContact O-CB 3.4Å; A581-N585 PolarHBondContact O-N 3.14Å; E582-N585 WeakPolarHBondContact O-CB 3.34Å; E582-N585 PolarHBondContact O-N 2.89Å; N585-Y587 VanDerWaalsContact C-N 3.31Å; N585-Y587 PolarHBondContact O-N 3.39Å; N585-R588 WeakPolarHBondContact O-CB 3.35Å; N585-R588 PolarHBondContact O-N 2.88Å; N585-R588 VanDerWaalsContact O-N 3.09Å; N585-L589 PolarHBondContact O-N 3.5Å
586	D	78.5	Confident	70.8	Confident	47 Å²	47	100.8 Å²	100.8	25%	0.251	48%	0.477	S	S	.	.	H	α-helix	trans	-56.7	-44.6	174.5	-72.2	-4.4	0	0	0	111.9	E582 R588 L589 L590 F607	E582-D586 PolarHBondContact O-N 3.32Å; D586-R588 VanDerWaalsContact C-N 3.34Å; D586-R588 PolarHBondContact O-N 2.86Å; D586-L589 WeakPolarHBondContact O-CB 3.34Å; D586-L589 PolarHBondContact O-N 2.94Å; D586-L590 WeakPolarHBondContact O-CB 3.45Å; D586-L590 PolarHBondContact O-N 3.21Å; D586-F607 HydrophobicContact CB-CD2 4.35Å; D586-F607 HydrophobicContact CB-CE2 3.77Å
587	Y	76.6	Confident	72.7	Confident	152 Å²	152	102.8 Å²	102.8	60%	0.596	48%	0.48	S	S	*	.	H	α-helix	trans	-65.1	-36.5	177.5	-174.5	-104.4	0	0	0	112.4	L583 N585 K591	L583-Y587 WeakPolarHBondContact O-CB 3.33Å; L583-Y587 PolarHBondContact O-N 2.95Å; L583-Y587 VanDerWaalsContact O-N 3.15Å; N585-Y587 VanDerWaalsContact C-N 3.31Å; N585-Y587 PolarHBondContact O-N 3.39Å; Y587-K591 WeakPolarHBondContact O-CB 3.4Å; Y587-K591 PolarHBondContact O-N 2.89Å
588	R	81.3	Confident	74.5	Confident	149 Å²	149	99.7 Å²	99.7	56%	0.562	45%	0.454	S	S	*	.	H	α-helix	trans	-67	-43.4	174.3	-73.9	172.9	-164.2	-165.3	6.3	111.8	D584 N585 D586 K591 R592	D584-R588 VanDerWaalsContact O-CG 3.27Å; D584-R588 WeakPolarHBondContact O-CG 3.42Å; D584-R588 PolarHBondContact O-N 3.2Å; D584-R588 VanDerWaalsContact O-N 3.1Å; D584-R588 IonicContact OD2-CZ 2.7Å; D584-R588 IonicContact OD2-NE 2.7Å; D584-R588 PolarHBondContact OD2-NE 2.88Å; D584-R588 IonicContact OD2-NH2 3.28Å; D584-R588 PolarHBondContact OD2-NH2 3.48Å; N585-R588 WeakPolarHBondContact O-CB 3.35Å; N585-R588 PolarHBondContact O-N 2.88Å; N585-R588 VanDerWaalsContact O-N 3.09Å; D586-R588 VanDerWaalsContact C-N 3.34Å; D586-R588 PolarHBondContact O-N 2.86Å; R588-K591 PolarHBondContact O-N 2.86Å; R588-R592 WeakPolarHBondContact O-CG 3.34Å; R588-R592 PolarHBondContact O-N 3.11Å
589	L	80.9	Confident	76.5	Confident	6 Å²	6	93.8 Å²	93.8	3%	0.031	44%	0.44	C	S	.	.	H	α-helix	trans	-56.7	-48.7	174.1	-96	143.9	0	0	0	111.3	N585 D586 K591 R592 L593 I598 F603 Q606	N585-L589 PolarHBondContact O-N 3.5Å; D586-L589 WeakPolarHBondContact O-CB 3.34Å; D586-L589 PolarHBondContact O-N 2.94Å; L589-K591 VanDerWaalsContact C-N 3.33Å; L589-K591 PolarHBondContact O-N 3.46Å; L589-R592 PolarHBondContact O-N 2.88Å; L589-R592 VanDerWaalsContact O-N 3.16Å; L589-L593 PolarHBondContact O-N 3.37Å; L589-I598 HydrophobicContact CD2-CD1 3.8Å; L589-I598 WeakPolarHBondContact O-CD1 3.49Å; L589-F603 HydrophobicContact CB-CD2 3.96Å; L589-F603 HydrophobicContact CB-CE2 3.88Å; L589-F603 HydrophobicContact CD2-CD2 3.93Å; L589-Q606 HydrophobicContact CD1-CB 3.96Å; L589-Q606 HydrophobicContact CD2-CB 3.53Å; L589-Q606 HydrophobicContact CD2-CG 4.43Å; L589-Q606 HydrophobicContact CG-CB 4.34Å
590	L	78.9	Confident	77.9	Confident	73 Å²	73	97.2 Å²	97.2	38%	0.382	45%	0.451	S	S	.	.	H	α-helix	trans	-59.6	-40.1	175.1	-110.7	146.1	0	0	0	113	D586 L593 K594 F603	D586-L590 WeakPolarHBondContact O-CB 3.45Å; D586-L590 PolarHBondContact O-N 3.21Å; L590-L593 PolarHBondContact O-N 3.45Å; L590-K594 WeakPolarHBondContact O-CG 3.5Å; L590-K594 PolarHBondContact O-N 3.39Å; L590-F603 HydrophobicContact CG-CE2 4.16Å; L590-F603 HydrophobicContact CG-CZ 4.33Å
591	K	83	Confident	79	Confident	114 Å²	114	103.1 Å²	103.1	50%	0.496	48%	0.475	S	S	.	.	H	α-helix	trans	-69.4	-34.5	177.4	-163.6	176.7	-175.1	178.6	0	112	Y587 R588 L589 K595	Y587-K591 WeakPolarHBondContact O-CB 3.4Å; Y587-K591 PolarHBondContact O-N 2.89Å; R588-K591 PolarHBondContact O-N 2.86Å; L589-K591 VanDerWaalsContact C-N 3.33Å; L589-K591 PolarHBondContact O-N 3.46Å; K591-K595 WeakPolarHBondContact O-CB 3.49Å; K591-K595 WeakPolarHBondContact O-CG 3.39Å; K591-K595 PolarHBondContact O-N 2.91Å; K591-K595 VanDerWaalsContact O-N 3.16Å
592	R	86.6	Confident	79.6	Confident	118 Å²	118	104.3 Å²	104.3	45%	0.445	47%	0.472	S	S	.	.	H	α-helix	trans	-68.6	-41.9	173.6	-72.1	178.3	71.8	174.6	-0.2	111.2	R588 L589 K595 K596 K597 I598	R588-R592 WeakPolarHBondContact O-CG 3.34Å; R588-R592 PolarHBondContact O-N 3.11Å; L589-R592 PolarHBondContact O-N 2.88Å; L589-R592 VanDerWaalsContact O-N 3.16Å; R592-K595 CarbonylContact O-C 3.6Å; R592-K595 PolarHBondContact O-N 3.37Å; R592-K596 PolarHBondContact O-N 3.35Å; R592-K597 HydrophobicContact CB-CB 4.3Å; R592-K597 PolarHBondContact O-N 3.24Å; R592-I598 HydrophobicContact CB-CD1 3.79Å; R592-I598 HydrophobicContact CB-CG1 3.82Å; R592-I598 HydrophobicContact CB-CG2 4.14Å
593	L	84.4	Confident	80.4	Confident	56 Å²	56	99.8 Å²	99.8	29%	0.293	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-48.2	175.8	-174.7	68.7	0	0	0	111.1	L589 L590 K595 K596 I598 F603	L589-L593 PolarHBondContact O-N 3.37Å; L590-L593 PolarHBondContact O-N 3.45Å; L593-K595 PolarHBondContact O-N 2.91Å; L593-K596 PolarHBondContact O-N 2.99Å; L593-I598 HydrophobicContact CB-CD1 4.25Å; L593-I598 HydrophobicContact CB-CG1 4.18Å; L593-I598 HydrophobicContact CD1-CG1 4.45Å; L593-F603 HydrophobicContact CB-CD2 4.15Å; L593-F603 HydrophobicContact CD1-CB 4.14Å; L593-F603 HydrophobicContact CD2-CB 4.47Å; L593-F603 HydrophobicContact CD2-CD1 4.2Å; L593-F603 HydrophobicContact CD2-CD2 4.06Å; L593-F603 HydrophobicContact CD2-CE2 4.37Å; L593-F603 HydrophobicContact CD2-CG 3.97Å
594	K	81.4	Confident	80.8	Confident	177 Å²	177	99.9 Å²	99.9	77%	0.77	45%	0.451	S	S	*	.	H	α-helix	trans	-61.3	-30.5	176.3	-76.8	-173.3	176.8	-173.8	0	113.7	L590 K596	L590-K594 WeakPolarHBondContact O-CG 3.5Å; L590-K594 PolarHBondContact O-N 3.39Å; K594-K596 VanDerWaalsContact C-N 3.31Å
595	K	87.3	Confident	81.1	Confident	131 Å²	131	102.1 Å²	102.1	57%	0.57	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	8.9	176.4	-70.4	-173.2	175.3	-160.7	0	113.5	K591 R592 L593 K597	K591-K595 WeakPolarHBondContact O-CB 3.49Å; K591-K595 WeakPolarHBondContact O-CG 3.39Å; K591-K595 PolarHBondContact O-N 2.91Å; K591-K595 VanDerWaalsContact O-N 3.16Å; R592-K595 CarbonylContact O-C 3.6Å; R592-K595 PolarHBondContact O-N 3.37Å; L593-K595 PolarHBondContact O-N 2.91Å; K595-K597 HydrophobicContact CB-CD 4.5Å; K595-K597 HydrophobicContact CB-CG 4.06Å; K595-K597 PolarHBondContact O-N 3.1Å; K595-K597 VanDerWaalsContact O-N 3.14Å
596	K	80.7	Confident	81.1	Confident	196 Å²	196	102.3 Å²	102.3	85%	0.852	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	29.8	-175.8	-57.9	-177.1	178.3	-178.8	0	113.7	R592 L593 K594	R592-K596 PolarHBondContact O-N 3.35Å; L593-K596 PolarHBondContact O-N 2.99Å; K594-K596 VanDerWaalsContact C-N 3.31Å
597	K	84.1	Confident	80.5	Confident	145 Å²	145	104.5 Å²	104.5	63%	0.63	47%	0.465	S	S	*	.	S	Bend	trans	-91.7	-7.2	179.4	-69.5	-164.9	174	-160.9	0	114	R592 K595	R592-K597 HydrophobicContact CB-CB 4.3Å; R592-K597 PolarHBondContact O-N 3.24Å; K595-K597 HydrophobicContact CB-CD 4.5Å; K595-K597 HydrophobicContact CB-CG 4.06Å; K595-K597 PolarHBondContact O-N 3.1Å; K595-K597 VanDerWaalsContact O-N 3.14Å
598	I	85.4	Confident	79.7	Confident	10 Å²	10	100.4 Å²	100.4	5%	0.051	46%	0.463	C	S	.	.	S	Bend	trans	-141	150.3	171.9	57.3	178	0	0	0	107.6	L589 R592 L593 E602 F603	L589-I598 HydrophobicContact CD2-CD1 3.8Å; L589-I598 WeakPolarHBondContact O-CD1 3.49Å; R592-I598 HydrophobicContact CB-CD1 3.79Å; R592-I598 HydrophobicContact CB-CG1 3.82Å; R592-I598 HydrophobicContact CB-CG2 4.14Å; L593-I598 HydrophobicContact CB-CD1 4.25Å; L593-I598 HydrophobicContact CB-CG1 4.18Å; L593-I598 HydrophobicContact CD1-CG1 4.45Å; I598-E602 WeakPolarHBondContact CA-OE2 3.3Å; I598-E602 HydrophobicContact CB-CB 4.22Å; I598-E602 WeakPolarHBondContact CB-OE2 3.47Å; I598-F603 HydrophobicContact CD1-CB 3.9Å; I598-F603 HydrophobicContact CD1-CD2 4.09Å
599	T	85.7	Confident	77.8	Confident	74 Å²	74	98.5 Å²	98.5	45%	0.454	47%	0.469	S	S	.	.			trans	-75.3	162.3	172.2	67	0	0	0	0	110.4	K601 E602 F603	T599-K601 PolarHBondContact O-N 3.06Å; T599-E602 PolarHBondContact N-OE2 2.68Å; T599-E602 PolarHBondContact O-N 2.98Å; T599-E602 VanDerWaalsContact OG1-CG 3.29Å; T599-E602 WeakPolarHBondContact OG1-CG 3.45Å; T599-E602 PolarHBondContact OG1-N 2.91Å; T599-F603 PolarHBondContact O-N 3.13Å
600	K	80.4	Confident	75.7	Confident	151 Å²	151	109.6 Å²	109.6	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-60	-35.8	173.9	-171.8	179.3	176.3	-171.6	0	111.5	F603 D604	K600-F603 WeakPolarHBondContact O-CB 3.44Å; K600-F603 PolarHBondContact O-N 3.44Å; K600-D604 VanDerWaalsContact O-CG 3.28Å; K600-D604 PolarHBondContact O-N 3.22Å
601	K	79.1	Confident	75.6	Confident	151 Å²	151	111.4 Å²	111.4	66%	0.657	54%	0.536	S	S	*	.	H	α-helix	trans	-63.6	-47.4	176.9	-168.5	-177.6	176.2	-171.2	0	112	T599 F603 D604 E605	T599-K601 PolarHBondContact O-N 3.06Å; K601-F603 VanDerWaalsContact C-N 3.28Å; K601-F603 PolarHBondContact O-N 2.92Å; K601-D604 PolarHBondContact O-N 3.37Å; K601-E605 WeakPolarHBondContact CE-OE1 3.43Å; K601-E605 WeakPolarHBondContact O-CG 3.39Å; K601-E605 PolarHBondContact O-N 2.83Å
602	E	79.6	Confident	75.2	Confident	79 Å²	79	111.3 Å²	111.3	37%	0.369	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-32.6	175.2	-72	165.5	177.8	0	0	112.8	I598 T599 Q606	I598-E602 WeakPolarHBondContact CA-OE2 3.3Å; I598-E602 HydrophobicContact CB-CB 4.22Å; I598-E602 WeakPolarHBondContact CB-OE2 3.47Å; T599-E602 PolarHBondContact N-OE2 2.68Å; T599-E602 PolarHBondContact O-N 2.98Å; T599-E602 VanDerWaalsContact OG1-CG 3.29Å; T599-E602 WeakPolarHBondContact OG1-CG 3.45Å; T599-E602 PolarHBondContact OG1-N 2.91Å; E602-Q606 WeakPolarHBondContact O-CB 3.42Å; E602-Q606 WeakPolarHBondContact O-CG 3.46Å; E602-Q606 PolarHBondContact O-N 3.06Å
603	F	81.1	Confident	74.6	Confident	25 Å²	25	110.9 Å²	110.9	11%	0.11	54%	0.543	C	S	.	.	H	α-helix	trans	-65.9	-47.7	173.6	174.9	-91.3	0	0	0	111	L589 L590 L593 I598 T599 K600 K601 E605 Q606 F607	L589-F603 HydrophobicContact CB-CD2 3.96Å; L589-F603 HydrophobicContact CB-CE2 3.88Å; L589-F603 HydrophobicContact CD2-CD2 3.93Å; L590-F603 HydrophobicContact CG-CE2 4.16Å; L590-F603 HydrophobicContact CG-CZ 4.33Å; L593-F603 HydrophobicContact CB-CD2 4.15Å; L593-F603 HydrophobicContact CD1-CB 4.14Å; L593-F603 HydrophobicContact CD2-CB 4.47Å; L593-F603 HydrophobicContact CD2-CD1 4.2Å; L593-F603 HydrophobicContact CD2-CD2 4.06Å; L593-F603 HydrophobicContact CD2-CE2 4.37Å; L593-F603 HydrophobicContact CD2-CG 3.97Å; I598-F603 HydrophobicContact CD1-CB 3.9Å; I598-F603 HydrophobicContact CD1-CD2 4.09Å; T599-F603 PolarHBondContact O-N 3.13Å; K600-F603 WeakPolarHBondContact O-CB 3.44Å; K600-F603 PolarHBondContact O-N 3.44Å; K601-F603 VanDerWaalsContact C-N 3.28Å; K601-F603 PolarHBondContact O-N 2.92Å; F603-E605 PolarHBondContact O-N 3.33Å; F603-Q606 PolarHBondContact O-N 3.04Å; F603-F607 HydrophobicContact CE1-CB 4.19Å; F603-F607 HydrophobicContact CE1-CD2 4.26Å; F603-F607 HydrophobicContact CE1-CG 4.14Å; F603-F607 HydrophobicContact CE2-CD2 4Å; F603-F607 HydrophobicContact CZ-CB 4.25Å; F603-F607 AromaticContact CZ-CD2 3.59Å; F603-F607 HydrophobicContact CZ-CD2 3.59Å; F603-F607 HydrophobicContact CZ-CE2 4.07Å; F603-F607 AromaticContact CZ-CG 3.94Å; F603-F607 HydrophobicContact CZ-CG 3.94Å; F603-F607 WeakPolarHBondContact O-CB 3.47Å; F603-F607 PolarHBondContact O-N 2.9Å
604	D	75.3	Confident	74	Confident	87 Å²	87	114.1 Å²	114.1	47%	0.465	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-40.1	-178.5	-66.6	-25.7	0	0	0	111.5	K600 K601 Q606 A608	K600-D604 VanDerWaalsContact O-CG 3.28Å; K600-D604 PolarHBondContact O-N 3.22Å; K601-D604 PolarHBondContact O-N 3.37Å; D604-Q606 PolarHBondContact O-N 3Å; D604-A608 PolarHBondContact O-N 3.11Å
605	E	78.2	Confident	73.5	Confident	112 Å²	112	110.2 Å²	110.2	52%	0.523	55%	0.545	S	S	.	.	H	α-helix	trans	-63.9	-35.9	175.8	-73.8	170	-172.1	0	0	113.3	K601 F603	K601-E605 WeakPolarHBondContact CE-OE1 3.43Å; K601-E605 WeakPolarHBondContact O-CG 3.39Å; K601-E605 PolarHBondContact O-N 2.83Å; F603-E605 PolarHBondContact O-N 3.33Å
606	Q	74.3	Confident	72.6	Confident	95 Å²	95	108.8 Å²	108.8	44%	0.444	54%	0.543	S	S	.	.	H	α-helix	trans	-90.9	-24.6	-177.1	-71.8	177.2	30.5	0	0	113.7	L589 E602 F603 D604	L589-Q606 HydrophobicContact CD1-CB 3.96Å; L589-Q606 HydrophobicContact CD2-CB 3.53Å; L589-Q606 HydrophobicContact CD2-CG 4.43Å; L589-Q606 HydrophobicContact CG-CB 4.34Å; E602-Q606 WeakPolarHBondContact O-CB 3.42Å; E602-Q606 WeakPolarHBondContact O-CG 3.46Å; E602-Q606 PolarHBondContact O-N 3.06Å; F603-Q606 PolarHBondContact O-N 3.04Å; D604-Q606 PolarHBondContact O-N 3Å
607	F	66.6	Low	72	Confident	94 Å²	94	102.6 Å²	102.6	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-79.8	-22.7	179.3	-166.6	-93.6	0	0	0	112.2	D586 F603	D586-F607 HydrophobicContact CB-CD2 4.35Å; D586-F607 HydrophobicContact CB-CE2 3.77Å; F603-F607 HydrophobicContact CE1-CB 4.19Å; F603-F607 HydrophobicContact CE1-CD2 4.26Å; F603-F607 HydrophobicContact CE1-CG 4.14Å; F603-F607 HydrophobicContact CE2-CD2 4Å; F603-F607 HydrophobicContact CZ-CB 4.25Å; F603-F607 AromaticContact CZ-CD2 3.59Å; F603-F607 HydrophobicContact CZ-CD2 3.59Å; F603-F607 HydrophobicContact CZ-CE2 4.07Å; F603-F607 AromaticContact CZ-CG 3.94Å; F603-F607 HydrophobicContact CZ-CG 3.94Å; F603-F607 WeakPolarHBondContact O-CB 3.47Å; F603-F607 PolarHBondContact O-N 2.9Å
608	A	59.6	Low	71.1	Confident	66 Å²	66	99.3 Å²	99.3	55%	0.545	51%	0.513	S	S	.	.			trans	-147.4	78.2	176.5	0	0	0	0	0	110.8	D604 D610	D604-A608 PolarHBondContact O-N 3.11Å; A608-D610 PolarHBondContact O-N 3Å
609	P	41.1	Very low	69.9	Low	108 Å²	108	106.8 Å²	106.8	70%	0.701	55%	0.551	S	S	*	*			trans	-70.3	100.7	170.1	28.9	-30.3	0	0	0	108.5
610	D	38	Very low	68.5	Low	239 Å²	239	109.7 Å²	109.7	100%	1.278	56%	0.56	S	S	*	*			trans	32.3	0	174.7	-71.8	-25.4	0	0	0	119.8	A608	A608-D610 PolarHBondContact O-N 3Å

Retrieved 610 of 610 residues in 789.2 ms (Link to these results)

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