A0A077Z0I7_TRITR Loading...

Adenosylhomocysteinase 3

AlphaFold DB , UniProt , Accession A0A077Z0I7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 528 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	33.2	Very low	28.8	Very low	246 Å²	246	149.9 Å²	149.9	100%	1.212	86%	0.864	S	S	*	*				0	91.5	0	-77.7	-179.8	168.8	0	0	108.4
2	S	35	Very low	28.4	Very low	123 Å²	123	145.5 Å²	145.5	86%	0.86	85%	0.849	S	S	*	*			trans	163.3	93.3	155.5	51.2	0	0	0	0	108.1
3	S	29.9	Very low	28.4	Very low	123 Å²	123	146.3 Å²	146.3	86%	0.86	85%	0.846	S	S	*	*			trans	-71.3	134.9	173.7	46.3	0	0	0	0	111.2
4	S	35	Very low	28.2	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	83%	0.833	S	S	*	*			trans	-141.9	113.5	154.7	50.2	0	0	0	0	108.5
5	S	27.1	Very low	28.4	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	83%	0.829	S	S	*	*			trans	-83.3	146	173.6	41.1	0	0	0	0	110.1
6	P	31.4	Very low	28.6	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	83%	0.829	S	S	*	*			trans	-106.7	112.1	161.8	18.1	0.8	0	0	0	111.1
7	V	27.3	Very low	29.1	Very low	127 Å²	127	136.1 Å²	136.1	77%	0.77	79%	0.792	S	S	*	*			trans	29.1	106.8	135.5	-170.9	0	0	0	0	116.9	M9	V7-M9 PolarHBondContact O-N 3.36Å
8	E	24.5	Very low	29.5	Very low	190 Å²	190	133.9 Å²	133.9	89%	0.888	78%	0.783	S	S	*	*			trans	-65.8	117.1	159.1	-72.7	175.9	154.1	0	0	109.5
9	M	24.5	Very low	30.3	Very low	171 Å²	171	132.9 Å²	132.9	84%	0.842	77%	0.765	S	S	*	*			trans	-86.7	103.8	163.2	-94.8	-174.3	-78.7	0	0	108.1	V7 T11	V7-M9 PolarHBondContact O-N 3.36Å; M9-T11 PolarHBondContact O-N 2.7Å
10	E	22.7	Very low	30.7	Very low	185 Å²	185	129.7 Å²	129.7	86%	0.864	74%	0.744	S	S	*	*			trans	-63.4	101.6	165.2	-77.5	-178.8	148.7	0	0	109.5	S12	E10-S12 PolarHBondContact O-N 3.42Å
11	T	26.1	Very low	31.1	Very low	131 Å²	131	125.9 Å²	125.9	80%	0.804	72%	0.723	S	S	*	*			trans	-86.3	89.7	158	52.1	0	0	0	0	108.1	M9 L13	M9-T11 PolarHBondContact O-N 2.7Å; T11-L13 PolarHBondContact O-N 3.05Å; T11-L13 VanDerWaalsContact O-N 3.08Å
12	S	24.2	Very low	31	Very low	97 Å²	97	120.2 Å²	120.2	68%	0.678	69%	0.693	S	S	*	*			trans	-78.2	84.7	171.7	53.6	0	0	0	0	110.6	E10	E10-S12 PolarHBondContact O-N 3.42Å
13	L	28.2	Very low	30.9	Very low	156 Å²	156	117 Å²	117	82%	0.817	67%	0.666	S	S	*	*			trans	-101.4	92.8	148.7	-85.7	158.5	0	0	0	105.1	T11 A15	T11-L13 PolarHBondContact O-N 3.05Å; T11-L13 VanDerWaalsContact O-N 3.08Å; L13-A15 PolarHBondContact O-N 3.39Å
14	D	25.8	Very low	31.1	Very low	124 Å²	124	117.4 Å²	117.4	66%	0.663	66%	0.658	S	S	*	*			trans	-55.9	110.6	178.8	-74.3	-35.8	0	0	0	109.5	D16 D17	D14-D16 PolarHBondContact O-N 3.13Å; D14-D16 VanDerWaalsContact O-N 3.1Å; D14-D17 PolarHBondContact O-N 2.9Å
15	A	30.6	Very low	30.8	Very low	93 Å²	93	122.8 Å²	122.8	77%	0.769	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-5.6	171.7	0	0	0	0	0	112.7	L13	L13-A15 PolarHBondContact O-N 3.39Å
16	D	31.9	Very low	31	Very low	154 Å²	154	125.9 Å²	125.9	82%	0.824	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	15	179	-80.6	-36.5	0	0	0	113.8	D14 P18	D14-D16 PolarHBondContact O-N 3.13Å; D14-D16 VanDerWaalsContact O-N 3.1Å; D16-P18 WeakPolarHBondContact O-CD 3.05Å; D16-P18 VanDerWaalsContact O-N 3.1Å
17	D	36.7	Very low	31	Very low	40 Å²	40	124.5 Å²	124.5	21%	0.214	65%	0.65	C	S	.	*			trans	-61.9	112.7	179.2	-172.9	-8.7	0	0	0	111.8	D14 R19 M20	D14-D17 PolarHBondContact O-N 2.9Å; D17-R19 PolarHBondContact O-N 2.89Å; D17-R19 WeakPolarHBondContact OD1-CB 3.09Å; D17-R19 VanDerWaalsContact OD1-CG 3.22Å; D17-R19 WeakPolarHBondContact OD1-CG 3.42Å; D17-R19 IonicContact OD1-CZ 3.76Å; D17-R19 PolarHBondContact OD1-N 2.77Å; D17-R19 IonicContact OD1-NE 3.68Å; D17-R19 PolarHBondContact OD1-NE 3.06Å; D17-R19 IonicContact OD1-NH2 2.67Å; D17-R19 IonicContact OD2-CZ 2.86Å; D17-R19 IonicContact OD2-NE 3.5Å; D17-R19 PolarHBondContact OD2-NE 2.81Å; D17-R19 IonicContact OD2-NH2 3.03Å; D17-R19 PolarHBondContact OD2-NH2 3.2Å; D17-M20 WeakPolarHBondContact O-CB 3.26Å; D17-M20 PolarHBondContact O-N 2.85Å
18	P	37.3	Very low	31.1	Very low	97 Å²	97	122.9 Å²	122.9	63%	0.63	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-7.6	-179.7	28	-34.9	0	0	0	113.5	D16 M20	D16-P18 WeakPolarHBondContact O-CD 3.05Å; D16-P18 VanDerWaalsContact O-N 3.1Å; P18-M20 PolarHBondContact O-N 3.39Å
19	R	43.7	Very low	31.2	Very low	116 Å²	116	125.1 Å²	125.1	44%	0.438	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-15	169.5	-60.4	174	-66.8	-167.2	1	112.2	D17 D478 Y480	D17-R19 PolarHBondContact O-N 2.89Å; D17-R19 WeakPolarHBondContact OD1-CB 3.09Å; D17-R19 VanDerWaalsContact OD1-CG 3.22Å; D17-R19 WeakPolarHBondContact OD1-CG 3.42Å; D17-R19 IonicContact OD1-CZ 3.76Å; D17-R19 PolarHBondContact OD1-N 2.77Å; D17-R19 IonicContact OD1-NE 3.68Å; D17-R19 PolarHBondContact OD1-NE 3.06Å; D17-R19 IonicContact OD1-NH2 2.67Å; D17-R19 IonicContact OD2-CZ 2.86Å; D17-R19 IonicContact OD2-NE 3.5Å; D17-R19 PolarHBondContact OD2-NE 2.81Å; D17-R19 IonicContact OD2-NH2 3.03Å; D17-R19 PolarHBondContact OD2-NH2 3.2Å; R19-D478 WeakPolarHBondContact CD-OD2 3.47Å; R19-D478 WeakPolarHBondContact CG-OD2 3.45Å; R19-Y480 WeakPolarHBondContact O-CD1 3.27Å
20	M	39.1	Very low	31.4	Very low	67 Å²	67	126 Å²	126	33%	0.33	65%	0.649	S	S	.	*	S	Bend	trans	-92.6	93.5	165.8	-64.8	-74.1	-166.6	0	0	108.6	D17 P18 H22 L481 N524	D17-M20 WeakPolarHBondContact O-CB 3.26Å; D17-M20 PolarHBondContact O-N 2.85Å; P18-M20 PolarHBondContact O-N 3.39Å; M20-H22 PolarHBondContact O-N 3.43Å; M20-L481 HydrophobicContact CE-CD1 4.04Å; M20-N524 HydrophobicContact CE-CB 3.96Å; M20-N524 HydrophobicContact SD-CB 4.11Å
21	V	38.4	Very low	31.6	Very low	50 Å²	50	121.6 Å²	121.6	30%	0.303	64%	0.636	S	S	.	*			trans	-67.1	101.5	179.5	-178.3	0	0	0	0	109.7	L23 Y475 Y480	V21-L23 PolarHBondContact O-N 2.85Å; V21-Y475 HydrophobicContact CG2-CD1 4.21Å; V21-Y475 HydrophobicContact CG2-CE1 3.89Å; V21-Y480 HydrophobicContact CG2-CD1 3.86Å; V21-Y480 HydrophobicContact CG2-CE1 3.73Å
22	H	31.3	Very low	31.9	Very low	128 Å²	128	119 Å²	119	59%	0.593	62%	0.623	S	S	*	*			trans	-66.8	120.5	168.4	-85.9	-83.4	0	0	0	109.8	M20 D24	M20-H22 PolarHBondContact O-N 3.43Å; H22-D24 PolarHBondContact O-N 3.42Å
23	L	34	Very low	32.5	Very low	54 Å²	54	118.3 Å²	118.3	28%	0.283	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-72.8	-4.1	-174.6	-135.5	77.7	0	0	0	113.9	V21 R25	V21-L23 PolarHBondContact O-N 2.85Å; L23-R25 PolarHBondContact O-N 3.36Å
24	D	32.5	Very low	32.8	Very low	133 Å²	133	114.5 Å²	114.5	71%	0.711	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-81.9	-0.8	-162.3	-68.3	-31.3	0	0	0	116.1	H22	H22-D24 PolarHBondContact O-N 3.42Å
25	R	30.3	Very low	33.1	Very low	231 Å²	231	116.1 Å²	116.1	87%	0.872	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-118.4	0.5	-175.7	-73.9	-171.7	177.3	-178.5	1.6	117.3	L23	L23-R25 PolarHBondContact O-N 3.36Å
26	F	30.2	Very low	33.5	Very low	178 Å²	178	115.6 Å²	115.6	78%	0.781	57%	0.572	S	S	*	*	S	Bend	trans	-124.8	4.3	-178.6	-87.1	-86.2	0	0	0	115.7	A28	F26-A28 PolarHBondContact O-N 3.33Å
27	T	31.2	Very low	33.8	Very low	93 Å²	93	110.7 Å²	110.7	57%	0.571	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	11.3	-178	43.7	0	0	0	0	115.6
28	A	30.1	Very low	33.8	Very low	92 Å²	92	110.9 Å²	110.9	76%	0.76	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-1.2	-171.6	0	0	0	0	0	116.4	F26	F26-A28 PolarHBondContact O-N 3.33Å
29	R	27.5	Very low	33.8	Very low	238 Å²	238	108.7 Å²	108.7	90%	0.898	54%	0.539	S	S	*	.	S	Bend	trans	-133.3	-1.2	-169.2	-76.1	-168.9	176.3	-176.4	-0.7	120.9
30	K	27.3	Very low	33.5	Very low	189 Å²	189	105.9 Å²	105.9	82%	0.822	53%	0.531	S	S	*	.			trans	-156.1	125.4	159.2	-83.8	-165.8	177.5	176.6	0	110.8
31	P	28.1	Very low	33.6	Very low	93 Å²	93	106.1 Å²	106.1	60%	0.604	53%	0.531	S	S	*	.			trans	-90	-5.1	-168.1	-4	23.4	0	0	0	116.7	I33 F35	P31-I33 PolarHBondContact O-N 2.83Å; P31-F35 HydrophobicContact CB-CD2 4.33Å; P31-F35 WeakPolarHBondContact O-CB 3.41Å; P31-F35 PolarHBondContact O-N 3.1Å
32	S	32.2	Very low	33.5	Very low	76 Å²	76	106.3 Å²	106.3	53%	0.531	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-50.7	-157.6	49.3	0	0	0	0	115.6
33	I	35.8	Very low	33.8	Very low	83 Å²	83	104.8 Å²	104.8	43%	0.426	54%	0.535	S	S	.	.	H	α-helix	trans	-80.6	-27.2	-171.8	-64.6	167.7	0	0	0	112.5	P31 L37	P31-I33 PolarHBondContact O-N 2.83Å; I33-L37 HydrophobicContact CG2-CD1 4.35Å; I33-L37 PolarHBondContact O-N 2.99Å
34	Q	34.9	Very low	34.1	Very low	76 Å²	76	106.2 Å²	106.2	36%	0.355	54%	0.542	S	S	.	.	H	α-helix	trans	-92.4	-27.5	-172.2	-147.5	141.4	-19.5	0	0	113.2	T38	Q34-T38 PolarHBondContact O-OG1 3.2Å
35	F	32.8	Very low	34.5	Very low	158 Å²	158	102.5 Å²	102.5	69%	0.693	53%	0.526	S	S	*	.	H	α-helix	trans	-75.7	-30.8	172.5	-121.3	-96.8	0	0	0	111.6	P31 A39	P31-F35 HydrophobicContact CB-CD2 4.33Å; P31-F35 WeakPolarHBondContact O-CB 3.41Å; P31-F35 PolarHBondContact O-N 3.1Å; F35-A39 WeakPolarHBondContact O-CB 3.34Å; F35-A39 PolarHBondContact O-N 3.4Å
36	E	37.6	Very low	34.8	Very low	82 Å²	82	100 Å²	100	38%	0.383	52%	0.517	S	S	.	.	H	α-helix	trans	-76.7	-39.5	178	-80.3	175.9	166	0	0	112.6	T38 A39 M40	E36-T38 VanDerWaalsContact C-N 3.25Å; E36-T38 PolarHBondContact O-N 3.36Å; E36-A39 PolarHBondContact O-N 2.82Å; E36-M40 HydrophobicContact CB-CE 3.96Å; E36-M40 HydrophobicContact CB-SD 4.34Å; E36-M40 HydrophobicContact CG-CE 4.34Å; E36-M40 WeakPolarHBondContact O-CB 3.49Å; E36-M40 WeakPolarHBondContact O-CG 2.91Å; E36-M40 PolarHBondContact O-N 3.35Å
37	L	37.9	Very low	35.1	Very low	50 Å²	50	99.6 Å²	99.6	26%	0.262	51%	0.514	S	S	.	.	H	α-helix	trans	-57.8	-36.4	173	-90.5	158.7	0	0	0	113.3	I33 Y489	I33-L37 HydrophobicContact CG2-CD1 4.35Å; I33-L37 PolarHBondContact O-N 2.99Å; L37-Y489 HydrophobicContact CD2-CD1 4.26Å; L37-Y489 HydrophobicContact CD2-CD2 3.46Å; L37-Y489 VanDerWaalsContact CD2-CD2 3.46Å; L37-Y489 HydrophobicContact CD2-CE1 4.17Å; L37-Y489 HydrophobicContact CD2-CE2 3.32Å; L37-Y489 HydrophobicContact CD2-CG 3.94Å
38	T	38.6	Very low	35.5	Very low	44 Å²	44	98.2 Å²	98.2	27%	0.27	51%	0.512	S	S	.	.	H	α-helix	trans	-80.4	-40.8	177.1	-55.1	0	0	0	0	112.3	Q34 E36 Y516	Q34-T38 PolarHBondContact O-OG1 3.2Å; E36-T38 VanDerWaalsContact C-N 3.25Å; E36-T38 PolarHBondContact O-N 3.36Å; T38-Y516 HydrophobicContact CG2-CE1 4.37Å; T38-Y516 WeakPolarHBondContact CG2-OH 3.4Å
39	A	36.8	Very low	35.8	Very low	52 Å²	52	98.2 Å²	98.2	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-72.4	-28.8	178.8	0	0	0	0	0	113	F35 E36 A42 N43	F35-A39 WeakPolarHBondContact O-CB 3.34Å; F35-A39 PolarHBondContact O-N 3.4Å; E36-A39 PolarHBondContact O-N 2.82Å; A39-A42 PolarHBondContact O-N 2.94Å; A39-N43 PolarHBondContact O-N 3.27Å
40	M	37.6	Very low	36.2	Very low	56 Å²	56	94.9 Å²	94.9	28%	0.276	50%	0.502	S	S	.	.	H	α-helix	trans	-73.1	-33.3	179.1	-74.8	175.4	178.8	0	0	112.4	E36 A42 N43 I44	E36-M40 HydrophobicContact CB-CE 3.96Å; E36-M40 HydrophobicContact CB-SD 4.34Å; E36-M40 HydrophobicContact CG-CE 4.34Å; E36-M40 WeakPolarHBondContact O-CB 3.49Å; E36-M40 WeakPolarHBondContact O-CG 2.91Å; E36-M40 PolarHBondContact O-N 3.35Å; M40-A42 VanDerWaalsContact C-N 3.3Å; M40-A42 PolarHBondContact O-N 3.09Å; M40-N43 PolarHBondContact O-N 3.42Å; M40-I44 WeakPolarHBondContact O-CG1 3.19Å; M40-I44 PolarHBondContact O-N 3.01Å
41	Q	39.7	Very low	36.4	Very low	72 Å²	72	94.2 Å²	94.2	34%	0.336	50%	0.502	S	S	.	.	H	α-helix	trans	-60.9	-39.7	172	-75.8	177.3	-25.5	0	0	111.6	N43 I44	Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 3.34Å; Q41-I44 PolarHBondContact O-N 2.82Å
42	A	36.8	Very low	36.4	Very low	55 Å²	55	97.3 Å²	97.3	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-69.3	-23.9	178.3	0	0	0	0	0	114.4	A39 M40	A39-A42 PolarHBondContact O-N 2.94Å; M40-A42 VanDerWaalsContact C-N 3.3Å; M40-A42 PolarHBondContact O-N 3.09Å
43	N	38.5	Very low	36.4	Very low	96 Å²	96	102.6 Å²	102.6	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-84.3	-22.6	179.3	-85.8	-24.3	0	0	0	113.6	A39 M40 Q41 R46 K47	A39-N43 PolarHBondContact O-N 3.27Å; M40-N43 PolarHBondContact O-N 3.42Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 3.34Å; N43-R46 PolarHBondContact O-N 3.43Å; N43-K47 PolarHBondContact O-N 3.36Å
44	I	40.3	Very low	36.1	Very low	84 Å²	84	103.6 Å²	103.6	43%	0.431	54%	0.541	S	S	.	.	H	α-helix	trans	-69.2	-38.5	177.6	-67.8	167.9	0	0	0	110.7	M40 Q41 R46 K47 A48	M40-I44 WeakPolarHBondContact O-CG1 3.19Å; M40-I44 PolarHBondContact O-N 3.01Å; Q41-I44 PolarHBondContact O-N 2.82Å; I44-R46 VanDerWaalsContact C-N 3.34Å; I44-R46 PolarHBondContact O-N 3.22Å; I44-K47 PolarHBondContact O-N 3.24Å; I44-A48 WeakPolarHBondContact O-CB 3.35Å; I44-A48 PolarHBondContact O-N 2.92Å; I44-A48 VanDerWaalsContact O-N 3.16Å
45	S	39.8	Very low	35.6	Very low	54 Å²	54	105.9 Å²	105.9	38%	0.378	57%	0.565	S	S	.	*	H	α-helix	trans	-70.2	-25	176.2	-73.1	0	0	0	0	114.4	S49 E504	S45-S49 PolarHBondContact O-OG 2.82Å; S45-E504 VanDerWaalsContact CB-OE1 3.27Å; S45-E504 WeakPolarHBondContact CB-OE1 3.46Å; S45-E504 PolarHBondContact OG-OE1 3.33Å
46	R	36.8	Very low	35.4	Very low	180 Å²	180	106.4 Å²	106.4	68%	0.679	57%	0.574	S	S	*	*	H	α-helix	trans	-80.9	-27.7	176.3	-76.2	-176.1	-178.1	168.7	1.8	114	N43 I44 S49	N43-R46 PolarHBondContact O-N 3.43Å; I44-R46 VanDerWaalsContact C-N 3.34Å; I44-R46 PolarHBondContact O-N 3.22Å; R46-S49 PolarHBondContact O-OG 2.92Å
47	K	37.7	Very low	34.9	Very low	168 Å²	168	107.7 Å²	107.7	73%	0.73	59%	0.592	S	S	*	*	H	α-helix	trans	-88.3	-29.9	177.3	-76.4	-173.6	176.7	-178.5	0	113.2	N43 I44 S49 Q50	N43-K47 PolarHBondContact O-N 3.36Å; I44-K47 PolarHBondContact O-N 3.24Å; K47-S49 VanDerWaalsContact C-N 3.27Å; K47-S49 PolarHBondContact O-N 3.49Å; K47-Q50 PolarHBondContact O-N 2.92Å
48	A	38.3	Very low	34.3	Very low	64 Å²	64	113.3 Å²	113.3	53%	0.529	62%	0.622	S	S	.	*	H	α-helix	trans	-69.5	-22.3	176	0	0	0	0	0	113.6	I44 Q50	I44-A48 WeakPolarHBondContact O-CB 3.35Å; I44-A48 PolarHBondContact O-N 2.92Å; I44-A48 VanDerWaalsContact O-N 3.16Å; A48-Q50 VanDerWaalsContact C-N 3.33Å; A48-Q50 PolarHBondContact O-N 3.49Å
49	S	37.8	Very low	33.6	Very low	93 Å²	93	116.7 Å²	116.7	65%	0.65	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	2.4	177.8	45.8	0	0	0	0	114.5	S45 R46 K47	S45-S49 PolarHBondContact O-OG 2.82Å; R46-S49 PolarHBondContact O-OG 2.92Å; K47-S49 VanDerWaalsContact C-N 3.27Å; K47-S49 PolarHBondContact O-N 3.49Å
50	Q	34.7	Very low	33	Very low	167 Å²	167	123.8 Å²	123.8	78%	0.78	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	15.3	-173.2	-70.2	-170.6	-8	0	0	115.8	K47 A48	K47-Q50 PolarHBondContact O-N 2.92Å; A48-Q50 VanDerWaalsContact C-N 3.33Å; A48-Q50 PolarHBondContact O-N 3.49Å
51	Q	32.7	Very low	32.5	Very low	176 Å²	176	128.8 Å²	128.8	82%	0.822	69%	0.692	S	S	*	*			trans	-118.3	91.5	173.5	-72.7	-172.2	-13.3	0	0	112.3
52	N	28.2	Very low	31.8	Very low	157 Å²	157	130.6 Å²	130.6	84%	0.84	71%	0.708	S	S	*	*			trans	-89.9	111.1	157.6	-92.9	-24.9	0	0	0	108.1
53	H	31.2	Very low	31.3	Very low	188 Å²	188	134.2 Å²	134.2	87%	0.87	72%	0.724	S	S	*	*			trans	-152.3	152.6	158.7	-89.3	-54.1	0	0	0	112
54	P	28.6	Very low	30.7	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	73%	0.734	S	S	*	*			trans	-92.1	165	-148.2	25.7	-12.8	0	0	0	114.3	L56	P54-L56 PolarHBondContact O-N 3.07Å
55	S	24.4	Very low	30	Very low	124 Å²	124	141.3 Å²	141.3	87%	0.867	76%	0.756	S	S	*	*			trans	-32.9	118	176.8	55.2	0	0	0	0	115.5
56	L	29.2	Very low	29.6	Very low	170 Å²	170	145.4 Å²	145.4	89%	0.89	78%	0.779	S	S	*	*			trans	-108.1	118.7	165.1	-92.8	151.8	0	0	0	109.3	P54	P54-L56 PolarHBondContact O-N 3.07Å
57	S	26.6	Very low	29.2	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.1	129.3	173.6	50.1	0	0	0	0	111.4
58	L	25.3	Very low	28.7	Very low	167 Å²	167	137.7 Å²	137.7	87%	0.874	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.6	134.2	170.4	-76.9	155.4	0	0	0	111.1
59	P	24.2	Very low	28.3	Very low	116 Å²	116	144.5 Å²	144.5	75%	0.753	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.9	168.8	-3.6	19.7	0	0	0	110	I61	P59-I61 PolarHBondContact O-N 2.86Å
60	K	24.7	Very low	27.8	Very low	201 Å²	201	148.2 Å²	148.2	87%	0.874	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.2	118.7	167.1	-76.6	179.1	174.8	178.6	0	109.2
61	I	27.1	Very low	27.8	Very low	160 Å²	160	146.2 Å²	146.2	82%	0.821	81%	0.811	S	S	*	*			trans	-82.2	113.6	164.8	-62.5	174.6	0	0	0	107.6	P59	P59-I61 PolarHBondContact O-N 2.86Å
62	V	25.6	Very low	27.7	Very low	111 Å²	111	144.6 Å²	144.6	67%	0.673	81%	0.808	S	S	*	*			trans	-88.3	123	171.2	176	0	0	0	0	107.1	D64	V62-D64 PolarHBondContact O-N 3.26Å
63	V	26.5	Very low	28	Very low	131 Å²	131	143.8 Å²	143.8	79%	0.794	81%	0.809	S	S	*	*			trans	-86.6	101.1	171.8	-177.5	0	0	0	0	107.3
64	D	25.8	Very low	27.9	Very low	136 Å²	136	141.8 Å²	141.8	73%	0.727	81%	0.81	S	S	*	*			trans	-72.9	127	170.4	-93	-30.3	0	0	0	110.2	V62 V66	V62-D64 PolarHBondContact O-N 3.26Å; D64-V66 PolarHBondContact O-N 3.24Å
65	Q	24.9	Very low	28.2	Very low	193 Å²	193	142.3 Å²	142.3	90%	0.902	82%	0.816	S	S	*	*			trans	-71	114.3	169.2	-69.8	179.8	-21.6	0	0	109.1
66	V	31.1	Very low	28.6	Very low	139 Å²	139	144.6 Å²	144.6	84%	0.842	81%	0.813	S	S	*	*			trans	-108.3	119.1	163.6	-178.1	0	0	0	0	108.8	D64	D64-V66 PolarHBondContact O-N 3.24Å
67	A	29.6	Very low	28.8	Very low	94 Å²	94	142.7 Å²	142.7	78%	0.777	81%	0.81	S	S	*	*			trans	-64.3	153.9	-175.7	0	0	0	0	0	113.9
68	A	25.7	Very low	29.1	Very low	93 Å²	93	143 Å²	143	77%	0.769	81%	0.812	S	S	*	*			trans	-51.2	145.7	177.2	0	0	0	0	0	115.3
69	K	30.4	Very low	29.4	Very low	207 Å²	207	141.6 Å²	141.6	90%	0.9	81%	0.811	S	S	*	*			trans	-134.7	108.3	145	-95.3	-175.6	174.4	180	0	107.7
70	E	27.3	Very low	29.5	Very low	171 Å²	171	140 Å²	140	80%	0.799	82%	0.816	S	S	*	*			trans	-67.4	156.4	164.1	-68	177.1	152.4	0	0	110.1
71	P	34.5	Very low	29.8	Very low	125 Å²	125	135.9 Å²	135.9	81%	0.812	81%	0.812	S	S	*	*			trans	-115.9	125.9	139.9	29.6	-17.9	0	0	0	110.6
72	D	31.1	Very low	30	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	82%	0.815	S	S	*	*			trans	-53.2	131	164.1	-64.6	-63.4	0	0	0	111.5
73	T	33.6	Very low	30.5	Very low	141 Å²	141	136.9 Å²	136.9	87%	0.865	82%	0.818	S	S	*	*				-176.6	122.3	118.7	16.9	0	0	0	0	110.6
74	V	30.6	Very low	31.2	Very low	145 Å²	145	139.7 Å²	139.7	88%	0.879	82%	0.822	S	S	*	*			trans	-76	129.2	172.2	174.4	0	0	0	0	109
75	S	33.9	Very low	32.7	Very low	114 Å²	114	141.9 Å²	141.9	80%	0.797	83%	0.828	S	S	*	*			trans	-131.9	128	160	51.7	0	0	0	0	109.4
76	E	33.3	Very low	34.7	Very low	173 Å²	173	139.7 Å²	139.7	81%	0.808	82%	0.818	S	S	*	*			trans	-54.1	154.9	-174.7	-64.3	-176.1	151.4	0	0	114	S78	E76-S78 PolarHBondContact O-N 3.34Å
77	P	33.6	Very low	37	Very low	129 Å²	129	136.8 Å²	136.8	84%	0.838	80%	0.802	S	S	*	*			trans	-74.3	102.6	178.4	30.4	-30.3	0	0	0	109.6	T79	P77-T79 PolarHBondContact O-N 3.09Å
78	S	31.9	Very low	39.8	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	77%	0.773	S	S	*	*			trans	-67.7	119.1	166.7	55.4	0	0	0	0	109.8	E76	E76-S78 PolarHBondContact O-N 3.34Å
79	T	31.9	Very low	42.9	Very low	139 Å²	139	129.5 Å²	129.5	85%	0.853	74%	0.739	S	S	*	*			trans	-53.9	129.4	166.3	44.7	0	0	0	0	112.3	P77	P77-T79 PolarHBondContact O-N 3.09Å
80	G	27.2	Very low	45.8	Very low	82 Å²	82	124 Å²	124	85%	0.845	71%	0.713	S	S	*	*			trans	74	91.8	150.5	0	0	0	0	0	117.1
81	S	31.2	Very low	48.7	Very low	114 Å²	114	121.7 Å²	121.7	80%	0.797	71%	0.706	S	S	*	*			trans	-131.9	118.4	143.1	60.9	0	0	0	0	107.1	S83	S81-S83 PolarHBondContact O-N 2.97Å
82	E	30.7	Very low	51.3	Low	188 Å²	188	120.4 Å²	120.4	88%	0.879	69%	0.688	S	S	*	*			trans	-47.7	128.1	163.5	-66.1	173.5	158.2	0	0	107.6	E84	E82-E84 PolarHBondContact O-N 3.37Å
83	S	35.1	Very low	53.9	Low	105 Å²	105	120.4 Å²	120.4	73%	0.734	69%	0.693	S	S	*	*			trans	-56.9	109.7	177.7	47.7	0	0	0	0	108.6	S81 E85	S81-S83 PolarHBondContact O-N 2.97Å; S83-E85 PolarHBondContact O-N 3.46Å
84	E	41.8	Very low	56.7	Low	190 Å²	190	116.2 Å²	116.2	89%	0.888	67%	0.665	S	S	*	*			trans	-56.1	111.4	158.7	-69.6	-167.8	166.3	0	0	106	E82 E86	E82-E84 PolarHBondContact O-N 3.37Å; E84-E86 PolarHBondContact O-N 3Å; E84-E86 VanDerWaalsContact O-N 3.13Å
85	E	56.8	Low	59.7	Low	181 Å²	181	112.9 Å²	112.9	85%	0.846	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-55.9	119.2	177.4	-72.7	-179.8	161.8	0	0	107.9	S83	S83-E85 PolarHBondContact O-N 3.46Å
86	E	68.4	Low	62.6	Low	148 Å²	148	107.8 Å²	107.8	69%	0.692	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-55.4	133.3	173.1	-76.9	-167.2	155.2	0	0	108.7	E84 S88 R106	E84-E86 PolarHBondContact O-N 3Å; E84-E86 VanDerWaalsContact O-N 3.13Å; E86-S88 PolarHBondContact O-N 2.8Å; E86-R106 IonicContact OE2-NH1 2.72Å; E86-R106 PolarHBondContact OE2-NH1 3.38Å
87	P	79	Confident	65.4	Low	78 Å²	78	105.1 Å²	105.1	51%	0.506	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-59.2	134.5	-179.2	22.9	-32.5	0	0	0	110
88	S	87.4	Confident	68.2	Low	24 Å²	24	108.5 Å²	108.5	17%	0.168	61%	0.606	C	S	.	*	P	Polyproline II helix	trans	-53.5	137.6	-178.9	178.9	0	0	0	0	109.8	E86 R90 D91 D205	E86-S88 PolarHBondContact O-N 2.8Å; S88-R90 PolarHBondContact O-N 2.91Å; S88-R90 WeakPolarHBondContact OG-CB 3.32Å; S88-R90 PolarHBondContact OG-N 3.32Å; S88-D91 PolarHBondContact O-N 3.3Å; S88-D205 PolarHBondContact OG-OD1 3Å; S88-D205 PolarHBondContact OG-OD2 3.43Å; S88-D205 VanDerWaalsContact OG-OD2 3.1Å
89	P	90.8	Very high	71.1	Confident	9 Å²	9	105.8 Å²	105.8	6%	0.058	60%	0.596	C	S	.	*	G	3₁₀ helix	trans	-51.1	-28.1	172.3	-31.1	39.5	0	0	0	113.4	D91 K92 R106 W198	P89-D91 PolarHBondContact O-N 2.83Å; P89-K92 PolarHBondContact O-N 3.37Å; P89-R106 HydrophobicContact CG-CB 4.41Å; P89-W198 HydrophobicContact CB-CD2 3.9Å; P89-W198 HydrophobicContact CB-CE3 4.07Å; P89-W198 HydrophobicContact CB-CG 4.32Å; P89-W198 HydrophobicContact CB-CZ2 4.37Å; P89-W198 HydrophobicContact CB-CZ3 4.42Å; P89-W198 HydrophobicContact CG-CB 4.38Å; P89-W198 HydrophobicContact CG-CD2 3.7Å; P89-W198 HydrophobicContact CG-CE3 4.37Å; P89-W198 HydrophobicContact CG-CG 3.69Å; P89-W198 HydrophobicContact CG-CZ2 4.34Å
90	R	91.5	Very high	74.1	Confident	93 Å²	93	101 Å²	101	35%	0.351	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-57.7	-28.1	174.8	-178.1	177.8	166.4	-164.4	-5.5	114.1	S88 K92 W198 E204 W208	S88-R90 PolarHBondContact O-N 2.91Å; S88-R90 WeakPolarHBondContact OG-CB 3.32Å; S88-R90 PolarHBondContact OG-N 3.32Å; R90-K92 VanDerWaalsContact C-N 3.28Å; R90-W198 HydrophobicContact CB-CH2 4.31Å; R90-E204 IonicContact NH1-OE1 2.71Å; R90-E204 PolarHBondContact NH1-OE1 3Å; R90-W208 HydrophobicContact CG-CD2 4.37Å; R90-W208 HydrophobicContact CG-CE3 4.47Å; R90-W208 HydrophobicContact CG-CH2 4.12Å; R90-W208 HydrophobicContact CG-CZ2 3.99Å; R90-W208 HydrophobicContact CG-CZ3 4.36Å; R90-W208 VanDerWaalsContact CZ-CD1 3.44Å
91	D	89.1	Confident	77.4	Confident	122 Å²	122	100.6 Å²	100.6	65%	0.652	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-82.8	-7.7	-179.9	-61.7	-37.9	0	0	0	112.8	S88 P89	S88-D91 PolarHBondContact O-N 3.3Å; P89-D91 PolarHBondContact O-N 2.83Å
92	K	88.1	Confident	80.4	Confident	98 Å²	98	98.2 Å²	98.2	43%	0.426	53%	0.526	S	S	.	.	S	Bend	trans	-105	123.1	-179.4	-63.6	171.6	-174.6	160.9	0	109.7	P89 R90 L94	P89-K92 PolarHBondContact O-N 3.37Å; R90-K92 VanDerWaalsContact C-N 3.28Å; K92-L94 PolarHBondContact O-N 3.41Å
93	T	86.4	Confident	83.6	Confident	141 Å²	141	90 Å²	90	87%	0.865	49%	0.487	S	S	*	.			trans	-85.5	110.6	169.4	-52.1	0	0	0	0	109.6
94	L	92.1	Very high	86.6	Confident	52 Å²	52	85.5 Å²	85.5	27%	0.272	46%	0.455	S	S	.	.			trans	-101.5	152.8	173.4	-62.2	178.6	0	0	0	110.5	K92 F103 V105 L108	K92-L94 PolarHBondContact O-N 3.41Å; L94-F103 HydrophobicContact CB-CE2 3.69Å; L94-F103 HydrophobicContact CB-CZ 3.75Å; L94-F103 HydrophobicContact CD1-CE2 4.36Å; L94-V105 HydrophobicContact CD1-CG2 4.31Å; L94-V105 WeakPolarHBondContact CD1-O 3.27Å; L94-L108 HydrophobicContact CB-CD1 4.44Å; L94-L108 HydrophobicContact CD1-CG 4.4Å
95	S	94.1	Very high	89.2	Confident	76 Å²	76	76.5 Å²	76.5	53%	0.531	41%	0.414	S	S	.	.			trans	-142.2	146.4	169.3	58.7	0	0	0	0	110.1	F100 L108	S95-F100 CarbonylContact C-O 3.6Å; S95-F100 VanDerWaalsContact CA-O 3.26Å; S95-F100 WeakPolarHBondContact CA-O 3.39Å; S95-L108 WeakPolarHBondContact O-CD1 3.46Å
96	T	94.1	Very high	91	Very high	6 Å²	6	71.7 Å²	71.7	4%	0.037	39%	0.388	C	S	.	.			trans	-73.3	162.1	174.7	73.7	0	0	0	0	110.2	R98 G99 F100 F103 A189 M190	T96-R98 PolarHBondContact O-N 2.95Å; T96-R98 PolarHBondContact OG1-N 2.62Å; T96-G99 PolarHBondContact O-N 2.94Å; T96-F100 HydrophobicContact CG2-CB 4.08Å; T96-F100 HydrophobicContact CG2-CD1 4.15Å; T96-F100 PolarHBondContact N-O 3.17Å; T96-F100 WeakPolarHBondContact OG1-CB 3.49Å; T96-F100 PolarHBondContact OG1-N 3.03Å; T96-F103 HydrophobicContact CG2-CE1 3.84Å; T96-F103 HydrophobicContact CG2-CZ 4.28Å; T96-A189 VanDerWaalsContact CG2-O 3.31Å; T96-A189 WeakPolarHBondContact CG2-O 3.32Å; T96-M190 HydrophobicContact CG2-SD 4.22Å
97	P	91.7	Very high	92.3	Very high	118 Å²	118	66.5 Å²	66.5	77%	0.766	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-18	172.3	-25.8	35.5	0	0	0	114.2	M190	P97-M190 WeakPolarHBondContact CD-SD 3.37Å; P97-M190 HydrophobicContact CG-CE 4.2Å; P97-M190 HydrophobicContact CG-SD 4.31Å
98	R	92	Very high	93.1	Very high	200 Å²	200	64.1 Å²	64.1	76%	0.755	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	3.4	176.4	-62.8	-178.4	-179	176.7	2.1	113.3	T96	T96-R98 PolarHBondContact O-N 2.95Å; T96-R98 PolarHBondContact OG1-N 2.62Å
99	G	93.5	Very high	93.5	Very high	57 Å²	57	71.8 Å²	71.8	59%	0.588	38%	0.382	S	S	*	.			trans	80	10.6	178.6	0	0	0	0	0	115	T96	T96-G99 PolarHBondContact O-N 2.94Å
100	F	95.4	Very high	93.7	Very high	39 Å²	39	73 Å²	73	17%	0.171	39%	0.391	C	S	.	.			trans	-73.4	136.9	171.2	-179.5	-110	0	0	0	109.3	S95 T96 D102 F103 N192 P194	S95-F100 CarbonylContact C-O 3.6Å; S95-F100 VanDerWaalsContact CA-O 3.26Å; S95-F100 WeakPolarHBondContact CA-O 3.39Å; T96-F100 HydrophobicContact CG2-CB 4.08Å; T96-F100 HydrophobicContact CG2-CD1 4.15Å; T96-F100 PolarHBondContact N-O 3.17Å; T96-F100 WeakPolarHBondContact OG1-CB 3.49Å; T96-F100 PolarHBondContact OG1-N 3.03Å; F100-D102 HydrophobicContact CE2-CB 3.82Å; F100-D102 HydrophobicContact CZ-CB 3.88Å; F100-D102 VanDerWaalsContact CZ-O 3.32Å; F100-D102 WeakPolarHBondContact CZ-O 3.33Å; F100-F103 AromaticContact CD1-CD1 3.55Å; F100-F103 HydrophobicContact CD1-CD1 3.55Å; F100-F103 AromaticContact CD1-CE1 4Å; F100-F103 HydrophobicContact CD1-CE1 4Å; F100-F103 HydrophobicContact CE1-CB 4.23Å; F100-F103 AromaticContact CE1-CD1 3.6Å; F100-F103 HydrophobicContact CE1-CD1 3.6Å; F100-F103 HydrophobicContact CE1-CE1 4.48Å; F100-F103 HydrophobicContact CE1-CG 4.35Å; F100-F103 WeakPolarHBondContact O-CE1 3.43Å; F100-N192 HydrophobicContact CB-CB 4.27Å; F100-N192 WeakPolarHBondContact CB-OD1 3.35Å; F100-N192 HydrophobicContact CD1-CB 4.14Å; F100-N192 HydrophobicContact CD2-CB 4.1Å; F100-N192 HydrophobicContact CE2-CB 4.49Å; F100-N192 HydrophobicContact CG-CB 3.92Å; F100-P194 HydrophobicContact CZ-CB 4.45Å; F100-P194 HydrophobicContact CZ-CG 3.97Å
101	S	95.8	Very high	93.9	Very high	74 Å²	74	69 Å²	69	52%	0.517	38%	0.378	S	S	.	.			trans	-141.6	6.3	-176.1	66.9	0	0	0	0	113.9	F103	S101-F103 VanDerWaalsContact C-N 3.28Å; S101-F103 PolarHBondContact O-N 2.92Å; S101-F103 VanDerWaalsContact O-N 3.16Å
102	D	95.6	Very high	94.3	Very high	63 Å²	63	69.7 Å²	69.7	34%	0.337	38%	0.377	S	S	.	.			trans	-90.1	63.5	-179.5	-177.9	31.5	0	0	0	110.4	F100 R171 P194 F196	F100-D102 HydrophobicContact CE2-CB 3.82Å; F100-D102 HydrophobicContact CZ-CB 3.88Å; F100-D102 VanDerWaalsContact CZ-O 3.32Å; F100-D102 WeakPolarHBondContact CZ-O 3.33Å; D102-R171 IonicContact OD1-CZ 3.96Å; D102-R171 IonicContact OD1-NH1 3.75Å; D102-R171 IonicContact OD1-NH2 2.93Å; D102-R171 PolarHBondContact OD1-NH2 2.88Å; D102-R171 IonicContact OD2-CZ 2.69Å; D102-R171 IonicContact OD2-NH1 2.82Å; D102-R171 PolarHBondContact OD2-NH1 2.89Å; D102-R171 IonicContact OD2-NH2 3.44Å; D102-R171 PolarHBondContact OD2-NH2 2.77Å; D102-P194 VanDerWaalsContact O-CA 3.24Å; D102-P194 WeakPolarHBondContact O-CA 3.44Å; D102-P194 WeakPolarHBondContact O-CB 3.31Å; D102-F196 WeakPolarHBondContact OD1-CZ 3.22Å
103	F	96.9	Very high	94.8	Very high	16 Å²	16	71 Å²	71	7%	0.07	38%	0.38	C	S	.	.			trans	-157.4	164.7	177.2	65.8	-89	0	0	0	109.9	L94 T96 F100 S101 V105 L108 A189 I195	L94-F103 HydrophobicContact CB-CE2 3.69Å; L94-F103 HydrophobicContact CB-CZ 3.75Å; L94-F103 HydrophobicContact CD1-CE2 4.36Å; T96-F103 HydrophobicContact CG2-CE1 3.84Å; T96-F103 HydrophobicContact CG2-CZ 4.28Å; F100-F103 AromaticContact CD1-CD1 3.55Å; F100-F103 HydrophobicContact CD1-CD1 3.55Å; F100-F103 AromaticContact CD1-CE1 4Å; F100-F103 HydrophobicContact CD1-CE1 4Å; F100-F103 HydrophobicContact CE1-CB 4.23Å; F100-F103 AromaticContact CE1-CD1 3.6Å; F100-F103 HydrophobicContact CE1-CD1 3.6Å; F100-F103 HydrophobicContact CE1-CE1 4.48Å; F100-F103 HydrophobicContact CE1-CG 4.35Å; F100-F103 WeakPolarHBondContact O-CE1 3.43Å; S101-F103 VanDerWaalsContact C-N 3.28Å; S101-F103 PolarHBondContact O-N 2.92Å; S101-F103 VanDerWaalsContact O-N 3.16Å; F103-V105 HydrophobicContact CD2-CG1 4.27Å; F103-V105 HydrophobicContact CD2-CG2 3.89Å; F103-V105 HydrophobicContact CE2-CG2 3.91Å; F103-L108 HydrophobicContact CE2-CD1 4.32Å; F103-L108 HydrophobicContact CE2-CD2 3.89Å; F103-L108 HydrophobicContact CE2-CG 4.3Å; F103-L108 HydrophobicContact CZ-CD1 3.93Å; F103-L108 HydrophobicContact CZ-CD2 4.13Å; F103-L108 HydrophobicContact CZ-CG 4.39Å; F103-A189 HydrophobicContact CB-CB 4.22Å; F103-A189 HydrophobicContact CD1-CB 4.2Å; F103-A189 HydrophobicContact CD2-CB 3.68Å; F103-A189 HydrophobicContact CE2-CB 4.07Å; F103-A189 HydrophobicContact CG-CB 3.76Å; F103-A189 HydrophobicContact CZ-CB 4.5Å; F103-I195 CarbonylContact C-O 3.57Å; F103-I195 VanDerWaalsContact CA-O 3.31Å; F103-I195 WeakPolarHBondContact CA-O 3.14Å; F103-I195 HydrophobicContact CB-CG2 4.35Å; F103-I195 VanDerWaalsContact CB-O 3.31Å; F103-I195 WeakPolarHBondContact CB-O 3.32Å
104	C	97.4	Very high	95.3	Very high	10 Å²	10	64.3 Å²	64.3	7%	0.068	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-142.5	115.1	169.3	-168.4	0	0	0	0	109.6	I195 F196 A197 W198 W208	C104-I195 PolarHBondContact N-O 3.34Å; C104-F196 HydrophobicContact CB-CD1 3.78Å; C104-F196 HydrophobicContact CB-CE1 4.43Å; C104-F196 WeakPolarHBondContact O-CA 3.28Å; C104-A197 PolarHBondContact O-N 2.9Å; C104-W198 HydrophobicContact CB-CZ3 4.07Å; C104-W198 WeakPolarHBondContact SG-CZ3 3.36Å; C104-W208 HydrophobicContact CB-CH2 3.96Å; C104-W208 HydrophobicContact CB-CZ3 3.85Å
105	V	96.9	Very high	95.6	Very high	2 Å²	2	63 Å²	63	1%	0.012	34%	0.336	C	S	.	.			trans	-142.1	159.4	-178.5	-58.2	0	0	0	0	109.3	L94 F103 T107 L108 A185 A189 I195	L94-V105 HydrophobicContact CD1-CG2 4.31Å; L94-V105 WeakPolarHBondContact CD1-O 3.27Å; F103-V105 HydrophobicContact CD2-CG1 4.27Å; F103-V105 HydrophobicContact CD2-CG2 3.89Å; F103-V105 HydrophobicContact CE2-CG2 3.91Å; V105-T107 PolarHBondContact O-N 3.42Å; V105-L108 HydrophobicContact CG2-CD2 4.01Å; V105-A185 HydrophobicContact CB-CB 4.32Å; V105-A185 HydrophobicContact CG1-CB 3.74Å; V105-A189 HydrophobicContact CG1-CB 4.43Å; V105-I195 HydrophobicContact CG1-CG2 3.84Å
106	R	95.2	Very high	95.8	Very high	79 Å²	79	64.5 Å²	64.5	30%	0.298	33%	0.333	S	S	.	.	S	Bend	trans	-57.9	-46.3	-178	-178	176	-66.9	-84.9	-5.5	113.3	E86 P89 D182 W198 E199	E86-R106 IonicContact OE2-NH1 2.72Å; E86-R106 PolarHBondContact OE2-NH1 3.38Å; P89-R106 HydrophobicContact CG-CB 4.41Å; R106-D182 HydrophobicContact CB-CB 4.36Å; R106-D182 WeakPolarHBondContact CD-OD2 3.21Å; R106-D182 IonicContact NE-OD2 2.85Å; R106-D182 PolarHBondContact NE-OD2 3.16Å; R106-W198 HydrophobicContact CB-CB 4.07Å; R106-E199 PolarHBondContact NH2-O 3.1Å
107	T	94.9	Very high	96	Very high	39 Å²	39	66.9 Å²	66.9	24%	0.239	34%	0.343	C	S	.	.			trans	-158.2	157.2	-176.8	-178.1	0	0	0	0	110.7	V105 Q109 A186	V105-T107 PolarHBondContact O-N 3.42Å; T107-Q109 PolarHBondContact OG1-N 3.11Å; T107-A186 WeakPolarHBondContact O-CB 3.14Å
108	L	96.4	Very high	96.3	Very high	28 Å²	28	61.2 Å²	61.2	15%	0.147	31%	0.307	C	S	.	.	S	Bend	trans	-100.5	-6.2	171.5	-69.6	-179.7	0	0	0	113.4	L94 S95 F103 V105 S110 A111 A189 M190	L94-L108 HydrophobicContact CB-CD1 4.44Å; L94-L108 HydrophobicContact CD1-CG 4.4Å; S95-L108 WeakPolarHBondContact O-CD1 3.46Å; F103-L108 HydrophobicContact CE2-CD1 4.32Å; F103-L108 HydrophobicContact CE2-CD2 3.89Å; F103-L108 HydrophobicContact CE2-CG 4.3Å; F103-L108 HydrophobicContact CZ-CD1 3.93Å; F103-L108 HydrophobicContact CZ-CD2 4.13Å; F103-L108 HydrophobicContact CZ-CG 4.39Å; V105-L108 HydrophobicContact CG2-CD2 4.01Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.4Å; L108-A111 WeakPolarHBondContact O-CB 3.49Å; L108-A111 PolarHBondContact O-N 3.01Å; L108-A189 HydrophobicContact CD2-CB 3.97Å; L108-M190 HydrophobicContact CB-CE 3.96Å; L108-M190 HydrophobicContact CD1-CE 4.15Å; L108-M190 HydrophobicContact CD2-CG 4.44Å; L108-M190 HydrophobicContact CG-CE 4.46Å
109	Q	95.4	Very high	96.6	Very high	186 Å²	186	55.3 Å²	55.3	87%	0.869	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-31.1	-171.6	-67.8	178.5	-0.1	0	0	113	T107	T107-Q109 PolarHBondContact OG1-N 3.11Å
110	S	94.4	Very high	96.7	Very high	34 Å²	34	57.1 Å²	57.1	24%	0.238	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	8.2	-178.7	50.8	0	0	0	0	113.9	L108 E112 Y113 G114 E183	L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.4Å; S110-E112 VanDerWaalsContact C-N 3.33Å; S110-E112 PolarHBondContact O-N 2.65Å; S110-Y113 WeakPolarHBondContact O-CB 3.41Å; S110-Y113 PolarHBondContact O-N 2.83Å; S110-G114 PolarHBondContact O-N 3.43Å; S110-E183 WeakPolarHBondContact OG-CA 3.44Å
111	A	97.5	Very high	96.8	Very high	9 Å²	9	55.4 Å²	55.4	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-37	-175	0	0	0	0	0	114	L108 Y113 G114 A115 A186 A187 M190	L108-A111 WeakPolarHBondContact O-CB 3.49Å; L108-A111 PolarHBondContact O-N 3.01Å; A111-Y113 VanDerWaalsContact C-N 3.32Å; A111-Y113 PolarHBondContact O-N 3.46Å; A111-G114 PolarHBondContact O-N 2.84Å; A111-A115 WeakPolarHBondContact O-CB 3.25Å; A111-A115 PolarHBondContact O-N 3.09Å; A111-A186 HydrophobicContact CB-CB 3.93Å; A111-A187 WeakPolarHBondContact O-CB 3.34Å; A111-M190 HydrophobicContact CB-CB 4.28Å; A111-M190 HydrophobicContact CB-CG 3.55Å
112	E	97.6	Very high	96.8	Very high	136 Å²	136	54.1 Å²	54.1	64%	0.636	26%	0.264	S	S	*	.	H	α-helix	trans	-67.1	-36.2	176.8	-166.7	-166.2	147	0	0	111.7	S110 K116	S110-E112 VanDerWaalsContact C-N 3.33Å; S110-E112 PolarHBondContact O-N 2.65Å; E112-K116 WeakPolarHBondContact O-CG 3.43Å; E112-K116 PolarHBondContact O-N 3.03Å; E112-K116 WeakPolarHBondContact OE1-CE 3.33Å; E112-K116 IonicContact OE1-NZ 3.19Å; E112-K116 PolarHBondContact OE1-NZ 2.83Å
113	Y	97.7	Very high	96.9	Very high	127 Å²	127	58 Å²	58	50%	0.498	28%	0.28	S	S	.	.	H	α-helix	trans	-67.5	-46.9	175.4	178.6	-98.6	0	0	0	110.5	S110 A111 A115 K116 E117 E183	S110-Y113 WeakPolarHBondContact O-CB 3.41Å; S110-Y113 PolarHBondContact O-N 2.83Å; A111-Y113 VanDerWaalsContact C-N 3.32Å; A111-Y113 PolarHBondContact O-N 3.46Å; Y113-A115 VanDerWaalsContact C-N 3.32Å; Y113-A115 PolarHBondContact O-N 3.48Å; Y113-K116 WeakPolarHBondContact O-CB 3.34Å; Y113-K116 PolarHBondContact O-N 3.14Å; Y113-K116 VanDerWaalsContact O-N 3.1Å; Y113-E117 HydrophobicContact CD1-CG 4.31Å; Y113-E117 HydrophobicContact CE1-CG 3.86Å; Y113-E117 PolarHBondContact O-N 3Å; Y113-E183 HydrophobicContact CD1-CB 3.84Å; Y113-E183 HydrophobicContact CD1-CG 3.71Å; Y113-E183 HydrophobicContact CE1-CG 3.96Å
114	G	97.8	Very high	96.8	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-37.6	176.1	0	0	0	0	0	113.5	S110 A111 K116 E117 I118 E183	S110-G114 PolarHBondContact O-N 3.43Å; A111-G114 PolarHBondContact O-N 2.84Å; G114-K116 VanDerWaalsContact C-N 3.31Å; G114-K116 PolarHBondContact O-N 3.38Å; G114-E117 PolarHBondContact O-N 3Å; G114-I118 WeakPolarHBondContact O-CG1 3.1Å; G114-I118 PolarHBondContact O-N 3.41Å; G114-E183 WeakPolarHBondContact CA-O 3.47Å
115	A	98.1	Very high	96.8	Very high	24 Å²	24	61.5 Å²	61.5	20%	0.198	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-40.9	174.7	0	0	0	0	0	111.7	A111 Y113 I118 D119 A187	A111-A115 WeakPolarHBondContact O-CB 3.25Å; A111-A115 PolarHBondContact O-N 3.09Å; Y113-A115 VanDerWaalsContact C-N 3.32Å; Y113-A115 PolarHBondContact O-N 3.48Å; A115-I118 PolarHBondContact O-N 2.98Å; A115-D119 PolarHBondContact O-N 3.45Å; A115-A187 HydrophobicContact CB-CB 4.23Å
116	K	98.2	Very high	96.8	Very high	107 Å²	107	62.1 Å²	62.1	47%	0.465	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-39.4	175.2	-69.1	169.1	-173	165.7	0	112	E112 Y113 G114 I118 D119 I120	E112-K116 WeakPolarHBondContact O-CG 3.43Å; E112-K116 PolarHBondContact O-N 3.03Å; E112-K116 WeakPolarHBondContact OE1-CE 3.33Å; E112-K116 IonicContact OE1-NZ 3.19Å; E112-K116 PolarHBondContact OE1-NZ 2.83Å; Y113-K116 WeakPolarHBondContact O-CB 3.34Å; Y113-K116 PolarHBondContact O-N 3.14Å; Y113-K116 VanDerWaalsContact O-N 3.1Å; G114-K116 VanDerWaalsContact C-N 3.31Å; G114-K116 PolarHBondContact O-N 3.38Å; K116-I118 VanDerWaalsContact C-N 3.35Å; K116-D119 PolarHBondContact O-N 2.87Å; K116-I120 VanDerWaalsContact O-CG1 3.31Å; K116-I120 WeakPolarHBondContact O-CG1 3.13Å; K116-I120 PolarHBondContact O-N 2.96Å
117	E	97.6	Very high	96.9	Very high	56 Å²	56	58.4 Å²	58.4	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-42.1	174.9	-70.2	-62.8	117.3	0	0	111.6	Y113 G114 D119 I120 A121 A154	Y113-E117 HydrophobicContact CD1-CG 4.31Å; Y113-E117 HydrophobicContact CE1-CG 3.86Å; Y113-E117 PolarHBondContact O-N 3Å; G114-E117 PolarHBondContact O-N 3Å; E117-D119 VanDerWaalsContact C-N 3.35Å; E117-D119 PolarHBondContact O-N 2.85Å; E117-I120 PolarHBondContact O-N 2.94Å; E117-A121 WeakPolarHBondContact O-CB 3.45Å; E117-A121 PolarHBondContact O-N 3.32Å; E117-A154 HydrophobicContact CB-CB 4.05Å
118	I	98.1	Very high	97	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-43.7	174.1	-61	166.8	0	0	0	110.5	G114 A115 K116 I120 A121 E122 V158 R161 V184 A187 L188	G114-I118 WeakPolarHBondContact O-CG1 3.1Å; G114-I118 PolarHBondContact O-N 3.41Å; A115-I118 PolarHBondContact O-N 2.98Å; K116-I118 VanDerWaalsContact C-N 3.35Å; I118-I120 VanDerWaalsContact C-N 3.32Å; I118-I120 PolarHBondContact O-N 2.87Å; I118-A121 PolarHBondContact O-N 2.83Å; I118-E122 PolarHBondContact O-N 3.38Å; I118-V158 HydrophobicContact CG2-CG2 3.83Å; I118-V158 WeakPolarHBondContact O-CG2 3.36Å; I118-R161 VanDerWaalsContact CG2-NH1 3.35Å; I118-V184 HydrophobicContact CD1-CG1 4.09Å; I118-V184 HydrophobicContact CG1-CG1 4.16Å; I118-A187 HydrophobicContact CD1-CB 4.07Å; I118-L188 HydrophobicContact CD1-CD2 4.27Å; I118-L188 HydrophobicContact CD1-CG 4.42Å
119	D	97.7	Very high	97	Very high	75 Å²	75	57.8 Å²	57.8	40%	0.401	28%	0.284	S	S	.	.	H	α-helix	trans	-65.2	-34.2	179.7	-64.5	-11.1	0	0	0	112.3	A115 K116 E117 R161	A115-D119 PolarHBondContact O-N 3.45Å; K116-D119 PolarHBondContact O-N 2.87Å; E117-D119 VanDerWaalsContact C-N 3.35Å; E117-D119 PolarHBondContact O-N 2.85Å; D119-R161 IonicContact OD1-CZ 3.03Å; D119-R161 IonicContact OD1-NH1 3.83Å; D119-R161 PolarHBondContact OD1-NH1 2.88Å; D119-R161 IonicContact OD1-NH2 3.87Å
120	I	97	Very high	97.1	Very high	95 Å²	95	49.8 Å²	49.8	49%	0.487	25%	0.249	S	C	.	.	H	α-helix	trans	-68.4	-45	172.8	-69	165.5	0	0	0	110.1	K116 E117 I118 E122 Q123	K116-I120 VanDerWaalsContact O-CG1 3.31Å; K116-I120 WeakPolarHBondContact O-CG1 3.13Å; K116-I120 PolarHBondContact O-N 2.96Å; E117-I120 PolarHBondContact O-N 2.94Å; I118-I120 VanDerWaalsContact C-N 3.32Å; I118-I120 PolarHBondContact O-N 2.87Å; I120-E122 VanDerWaalsContact C-N 3.31Å; I120-E122 PolarHBondContact O-N 3.22Å; I120-Q123 WeakPolarHBondContact O-CB 3.44Å; I120-Q123 PolarHBondContact O-N 3Å
121	A	96.8	Very high	97.2	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-39.3	178	0	0	0	0	0	112.1	E117 I118 Q123 E124 M125 A154 Q155 V158	E117-A121 WeakPolarHBondContact O-CB 3.45Å; E117-A121 PolarHBondContact O-N 3.32Å; I118-A121 PolarHBondContact O-N 2.83Å; A121-Q123 PolarHBondContact O-N 3.41Å; A121-E124 PolarHBondContact O-N 3.14Å; A121-M125 VanDerWaalsContact O-CG 3.32Å; A121-M125 WeakPolarHBondContact O-CG 3.29Å; A121-M125 PolarHBondContact O-N 3.27Å; A121-A154 HydrophobicContact CB-CB 4.03Å; A121-Q155 HydrophobicContact CB-CG 4.2Å; A121-V158 HydrophobicContact CB-CG2 3.83Å
122	E	96.9	Very high	97.1	Very high	47 Å²	47	49.1 Å²	49.1	22%	0.22	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-32.9	179.5	-171.3	169.7	-158.1	0	0	112.3	I118 I120 E124 M125 V158 K165	I118-E122 PolarHBondContact O-N 3.38Å; I120-E122 VanDerWaalsContact C-N 3.31Å; I120-E122 PolarHBondContact O-N 3.22Å; E122-E124 VanDerWaalsContact C-N 3.27Å; E122-E124 PolarHBondContact O-N 3.16Å; E122-M125 PolarHBondContact O-N 3.05Å; E122-M125 VanDerWaalsContact O-N 3.16Å; E122-V158 HydrophobicContact CB-CG1 4.07Å; E122-V158 HydrophobicContact CB-CG2 4.04Å; E122-V158 HydrophobicContact CG-CG1 4.03Å; E122-K165 IonicContact OE1-NZ 3.4Å; E122-K165 PolarHBondContact OE1-NZ 3.48Å
123	Q	95.8	Very high	97.1	Very high	144 Å²	144	49.1 Å²	49.1	67%	0.673	25%	0.246	S	C	*	.	H	α-helix	trans	-65.3	-29.4	178	-63.6	174.6	31.6	0	0	113.2	I120 A121	I120-Q123 WeakPolarHBondContact O-CB 3.44Å; I120-Q123 PolarHBondContact O-N 3Å; A121-Q123 PolarHBondContact O-N 3.41Å
124	E	95.1	Very high	96.9	Very high	99 Å²	99	45.7 Å²	45.7	46%	0.463	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	11.9	178.5	-72.2	-69.6	127.8	0	0	112.3	A121 E122 P126 S450 L451	A121-E124 PolarHBondContact O-N 3.14Å; E122-E124 VanDerWaalsContact C-N 3.27Å; E122-E124 PolarHBondContact O-N 3.16Å; E124-P126 VanDerWaalsContact O-CD 3.23Å; E124-P126 WeakPolarHBondContact O-CD 3.32Å; E124-S450 CarbonylContact O-C 3.55Å; E124-L451 WeakPolarHBondContact O-CA 3.32Å; E124-L451 PolarHBondContact O-N 2.77Å
125	M	97.6	Very high	96.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.			trans	-117	59.1	177.4	-64.4	-179.3	83.1	0	0	113.2	A121 E122 G127 L128 Q155 V158 L453 S454 A457	A121-M125 VanDerWaalsContact O-CG 3.32Å; A121-M125 WeakPolarHBondContact O-CG 3.29Å; A121-M125 PolarHBondContact O-N 3.27Å; E122-M125 PolarHBondContact O-N 3.05Å; E122-M125 VanDerWaalsContact O-N 3.16Å; M125-G127 PolarHBondContact O-N 3.31Å; M125-G127 VanDerWaalsContact O-N 3.12Å; M125-L128 HydrophobicContact CB-CD1 4.31Å; M125-L128 HydrophobicContact CE-CD1 3.47Å; M125-L128 VanDerWaalsContact CE-CD1 3.47Å; M125-L128 HydrophobicContact CE-CG 4.38Å; M125-L128 PolarHBondContact O-N 2.81Å; M125-L128 VanDerWaalsContact O-N 3.17Å; M125-L128 HydrophobicContact SD-CD1 4.26Å; M125-Q155 HydrophobicContact CE-CB 4.07Å; M125-Q155 HydrophobicContact SD-CB 3.81Å; M125-Q155 HydrophobicContact SD-CG 3.98Å; M125-V158 HydrophobicContact CB-CG1 4.42Å; M125-V158 HydrophobicContact CE-CB 4.35Å; M125-V158 HydrophobicContact SD-CB 3.63Å; M125-V158 HydrophobicContact SD-CG1 3.98Å; M125-V158 HydrophobicContact SD-CG2 3.68Å; M125-L453 HydrophobicContact CE-CB 4.42Å; M125-S454 VanDerWaalsContact C-OG 3.25Å; M125-S454 VanDerWaalsContact CA-OG 3.32Å; M125-S454 WeakPolarHBondContact CA-OG 3.44Å; M125-A457 HydrophobicContact CE-CB 4Å
126	P	97	Very high	96.4	Very high	16 Å²	16	46.5 Å²	46.5	10%	0.104	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-25.8	-171	27.5	-36.8	0	0	0	113.5	E124 L128 T129 A130 L451 Q497	E124-P126 VanDerWaalsContact O-CD 3.23Å; E124-P126 WeakPolarHBondContact O-CD 3.32Å; P126-L128 VanDerWaalsContact C-N 3.34Å; P126-L128 PolarHBondContact O-N 3.47Å; P126-T129 PolarHBondContact O-N 3.43Å; P126-A130 VanDerWaalsContact O-CB 3.22Å; P126-A130 WeakPolarHBondContact O-CB 3.46Å; P126-A130 PolarHBondContact O-N 3.47Å; P126-L451 HydrophobicContact CG-CD1 4.06Å; P126-Q497 HydrophobicContact CB-CB 4.22Å; P126-Q497 HydrophobicContact CG-CB 4.04Å; P126-Q497 HydrophobicContact CG-CG 4.13Å
127	G	97.4	Very high	96.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-40	178.7	0	0	0	0	0	112.9	M125 L131 S454 H494	M125-G127 PolarHBondContact O-N 3.31Å; M125-G127 VanDerWaalsContact O-N 3.12Å; G127-L131 VanDerWaalsContact O-CB 3.26Å; G127-L131 WeakPolarHBondContact O-CB 3.46Å; G127-L131 PolarHBondContact O-N 3.41Å; G127-S454 PolarHBondContact N-OG 2.95Å; G127-S454 VanDerWaalsContact N-OG 3.16Å; G127-H494 WeakPolarHBondContact CA-NE2 3.18Å
128	L	97.7	Very high	96.1	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-70.8	-44.3	179.1	-62.3	-175.5	0	0	0	111.3	M125 P126 L131 L132 V158 T162 A457 I461	M125-L128 HydrophobicContact CB-CD1 4.31Å; M125-L128 HydrophobicContact CE-CD1 3.47Å; M125-L128 VanDerWaalsContact CE-CD1 3.47Å; M125-L128 HydrophobicContact CE-CG 4.38Å; M125-L128 PolarHBondContact O-N 2.81Å; M125-L128 VanDerWaalsContact O-N 3.17Å; M125-L128 HydrophobicContact SD-CD1 4.26Å; P126-L128 VanDerWaalsContact C-N 3.34Å; P126-L128 PolarHBondContact O-N 3.47Å; L128-L131 WeakPolarHBondContact O-CB 3.36Å; L128-L131 PolarHBondContact O-N 3.21Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 2.92Å; L128-V158 HydrophobicContact CD1-CB 4.12Å; L128-V158 HydrophobicContact CD1-CG1 3.57Å; L128-T162 HydrophobicContact CB-CG2 4.4Å; L128-T162 HydrophobicContact CD2-CG2 4.33Å; L128-A457 HydrophobicContact CD1-CB 4.04Å; L128-A457 HydrophobicContact CD2-CB 3.96Å; L128-A457 HydrophobicContact CG-CB 4.38Å; L128-I461 HydrophobicContact CD2-CD1 3.37Å
129	T	96.2	Very high	96.1	Very high	54 Å²	54	53.8 Å²	53.8	33%	0.331	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-49.7	175.6	-53.1	0	0	0	0	111.1	P126 L131 L132 D133	P126-T129 PolarHBondContact O-N 3.43Å; T129-L131 VanDerWaalsContact C-N 3.25Å; T129-L131 PolarHBondContact O-N 3.15Å; T129-L132 PolarHBondContact O-N 3.45Å; T129-L132 VanDerWaalsContact O-N 3.16Å; T129-D133 PolarHBondContact O-N 2.87Å
130	A	96.8	Very high	96	Very high	17 Å²	17	51.6 Å²	51.6	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-32.8	177.8	0	0	0	0	0	112.5	P126 R134 L493	P126-A130 VanDerWaalsContact O-CB 3.22Å; P126-A130 WeakPolarHBondContact O-CB 3.46Å; P126-A130 PolarHBondContact O-N 3.47Å; A130-R134 VanDerWaalsContact O-CG 3.26Å; A130-R134 WeakPolarHBondContact O-CG 3.4Å; A130-R134 PolarHBondContact O-N 2.88Å; A130-L493 HydrophobicContact CB-CB 4.27Å; A130-L493 HydrophobicContact CB-CD2 3.82Å
131	L	96.7	Very high	96.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-45.9	174.5	-176.5	64.3	0	0	0	111.2	G127 L128 T129 D133 R134 V135 L166 I461 Y489 L493	G127-L131 VanDerWaalsContact O-CB 3.26Å; G127-L131 WeakPolarHBondContact O-CB 3.46Å; G127-L131 PolarHBondContact O-N 3.41Å; L128-L131 WeakPolarHBondContact O-CB 3.36Å; L128-L131 PolarHBondContact O-N 3.21Å; T129-L131 VanDerWaalsContact C-N 3.25Å; T129-L131 PolarHBondContact O-N 3.15Å; L131-D133 PolarHBondContact O-N 2.8Å; L131-R134 PolarHBondContact O-N 2.94Å; L131-V135 HydrophobicContact CD1-CG2 3.75Å; L131-V135 HydrophobicContact CG-CG2 4.1Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.46Å; L131-L166 HydrophobicContact CD2-CD1 4.49Å; L131-I461 HydrophobicContact CD2-CB 4.03Å; L131-I461 HydrophobicContact CD2-CD1 4.31Å; L131-I461 HydrophobicContact CD2-CG2 3.49Å; L131-I461 VanDerWaalsContact CD2-CG2 3.49Å; L131-Y489 HydrophobicContact CD1-CE1 4.21Å; L131-L493 HydrophobicContact CB-CD1 4.27Å; L131-L493 HydrophobicContact CD1-CD1 4.22Å
132	L	96.6	Very high	96.1	Very high	27 Å²	27	52 Å²	52	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-42.5	176.6	-74.7	170.1	0	0	0	112.3	L128 T129 R134 G136 T162 K165 L166	L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 2.92Å; T129-L132 PolarHBondContact O-N 3.45Å; T129-L132 VanDerWaalsContact O-N 3.16Å; L132-R134 PolarHBondContact O-N 2.78Å; L132-G136 WeakPolarHBondContact O-CA 3.31Å; L132-G136 PolarHBondContact O-N 3.03Å; L132-T162 HydrophobicContact CD1-CG2 4.02Å; L132-T162 HydrophobicContact CD2-CG2 3.96Å; L132-T162 HydrophobicContact CG-CG2 3.85Å; L132-K165 HydrophobicContact CD1-CD 3.6Å; L132-K165 HydrophobicContact CD2-CB 3.59Å; L132-K165 HydrophobicContact CD2-CD 4.12Å; L132-L166 HydrophobicContact CD2-CD2 4.12Å; L132-L166 HydrophobicContact CD2-CG 4.09Å
133	D	95.6	Very high	96.1	Very high	137 Å²	137	52 Å²	52	73%	0.733	29%	0.287	S	S	*	.	H	α-helix	trans	-60.7	-32.3	177	-73	-16.9	0	0	0	112.4	T129 L131	T129-D133 PolarHBondContact O-N 2.87Å; L131-D133 PolarHBondContact O-N 2.8Å
134	R	93.9	Very high	96.2	Very high	54 Å²	54	45.1 Å²	45.1	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-86.3	-45.3	-176.4	-71.4	179.3	-172.7	-174.7	5	113.6	A130 L131 L132 Y489 L493	A130-R134 VanDerWaalsContact O-CG 3.26Å; A130-R134 WeakPolarHBondContact O-CG 3.4Å; A130-R134 PolarHBondContact O-N 2.88Å; L131-R134 PolarHBondContact O-N 2.94Å; L132-R134 PolarHBondContact O-N 2.78Å; R134-Y489 WeakPolarHBondContact CD-OH 3.44Å; R134-Y489 PolarHBondContact NH1-OH 2.92Å; R134-L493 VanDerWaalsContact CZ-CD2 3.47Å; R134-L493 VanDerWaalsContact NH1-CD2 3.33Å
135	V	93.4	Very high	96.3	Very high	26 Å²	26	41.9 Å²	41.9	16%	0.158	24%	0.24	C	C	.	.	H	α-helix	trans	-126.7	1	-171.1	-56.7	0	0	0	0	113.9	L131 A137 E138 P140 L166	L131-V135 HydrophobicContact CD1-CG2 3.75Å; L131-V135 HydrophobicContact CG-CG2 4.1Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.46Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 3.39Å; V135-E138 PolarHBondContact O-N 2.59Å; V135-P140 HydrophobicContact CG2-CG 4.28Å; V135-P140 WeakPolarHBondContact O-CD 3.45Å; V135-L166 HydrophobicContact CG2-CD2 4.06Å
136	G	92.3	Very high	96.3	Very high	16 Å²	16	41.9 Å²	41.9	17%	0.165	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-59.9	-36.8	-177.6	0	0	0	0	0	113.3	L132 E138 R139	L132-G136 WeakPolarHBondContact O-CA 3.31Å; L132-G136 PolarHBondContact O-N 3.03Å; G136-E138 VanDerWaalsContact C-N 3.29Å; G136-E138 PolarHBondContact O-N 2.75Å; G136-R139 PolarHBondContact O-N 3.38Å
137	A	95.2	Very high	96.4	Very high	103 Å²	103	41.1 Å²	41.1	85%	0.851	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-65.3	-30.3	179.1	0	0	0	0	0	113.4	V135 R139	V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 3.39Å; A137-R139 VanDerWaalsContact C-N 3.33Å
138	E	95.3	Very high	96.5	Very high	91 Å²	91	41.1 Å²	41.1	43%	0.425	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-78.5	-19.1	-179.3	-67	166.8	-127.2	0	0	112.9	V135 G136	V135-E138 PolarHBondContact O-N 2.59Å; G136-E138 VanDerWaalsContact C-N 3.29Å; G136-E138 PolarHBondContact O-N 2.75Å
139	R	96.5	Very high	96.5	Very high	122 Å²	122	41.1 Å²	41.1	46%	0.46	24%	0.235	S	C	.	.			trans	48.2	62.2	-175.6	-60.1	-178.9	65.6	169.4	1.5	111.7	G136 A137 L141 Q142 L166	G136-R139 PolarHBondContact O-N 3.38Å; A137-R139 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.06Å; R139-Q142 HydrophobicContact CB-CB 4.35Å; R139-Q142 VanDerWaalsContact NH2-OE1 3.1Å; R139-Q142 VanDerWaalsContact O-CB 3.23Å; R139-Q142 WeakPolarHBondContact O-CB 3.2Å; R139-Q142 PolarHBondContact O-N 3.02Å; R139-L166 CarbonylContact C-O 3.55Å; R139-L166 WeakPolarHBondContact CA-O 3.49Å
140	P	96.8	Very high	96.5	Very high	29 Å²	29	38.7 Å²	38.7	19%	0.188	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.8	-171	26.6	-36.4	0	0	0	114	V135 L166 I465 H468	V135-P140 HydrophobicContact CG2-CG 4.28Å; V135-P140 WeakPolarHBondContact O-CD 3.45Å; P140-L166 HydrophobicContact CG-CD2 3.89Å; P140-I465 HydrophobicContact CB-CD1 4.3Å; P140-I465 HydrophobicContact CB-CG1 4.18Å; P140-I465 HydrophobicContact CB-CG2 4.08Å; P140-I465 HydrophobicContact CG-CD1 3.73Å; P140-I465 HydrophobicContact CG-CG1 4.01Å; P140-H468 PolarHBondContact O-CD2 2.88Å; P140-H468 VanDerWaalsContact O-CD2 3.31Å
141	L	97.9	Very high	96.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.5	176.2	-64.1	175.2	0	0	0	112.7	R139 G143 A144 I146 L163 L166 G167 A168 L464 I465 H468	R139-L141 PolarHBondContact O-N 3.06Å; L141-G143 PolarHBondContact O-N 2.83Å; L141-A144 HydrophobicContact CB-CB 4.16Å; L141-A144 HydrophobicContact CD2-CB 4.43Å; L141-A144 WeakPolarHBondContact O-CB 3.42Å; L141-A144 PolarHBondContact O-N 2.96Å; L141-I146 HydrophobicContact CD1-CD1 4.28Å; L141-L163 HydrophobicContact CD1-CD2 3.45Å; L141-L163 VanDerWaalsContact CD1-CD2 3.45Å; L141-L166 WeakPolarHBondContact CA-O 3.44Å; L141-L166 HydrophobicContact CB-CB 4.31Å; L141-L166 HydrophobicContact CD1-CB 4.04Å; L141-L166 HydrophobicContact CD1-CD1 4.27Å; L141-L166 HydrophobicContact CG-CB 4.32Å; L141-L166 PolarHBondContact N-O 2.82Å; L141-G167 CarbonylContact O-C 3.6Å; L141-A168 HydrophobicContact CB-CB 3.99Å; L141-A168 HydrophobicContact CD1-CB 4.36Å; L141-L464 HydrophobicContact CD2-CB 4.22Å; L141-I465 HydrophobicContact CD1-CG1 4.34Å; L141-I465 HydrophobicContact CD2-CB 4.49Å; L141-I465 HydrophobicContact CD2-CG1 3.86Å; L141-I465 HydrophobicContact CG-CG1 3.9Å; L141-H468 HydrophobicContact CD2-CB 4.02Å
142	Q	97.5	Very high	96.3	Very high	108 Å²	108	40.8 Å²	40.8	51%	0.505	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	125.1	174.6	-175.8	62.5	40.6	0	0	110.6	R139 A144 G167 H468	R139-Q142 HydrophobicContact CB-CB 4.35Å; R139-Q142 VanDerWaalsContact NH2-OE1 3.1Å; R139-Q142 VanDerWaalsContact O-CB 3.23Å; R139-Q142 WeakPolarHBondContact O-CB 3.2Å; R139-Q142 PolarHBondContact O-N 3.02Å; Q142-A144 VanDerWaalsContact C-N 3.28Å; Q142-A144 PolarHBondContact O-N 3.2Å; Q142-G167 WeakPolarHBondContact CA-O 3.39Å; Q142-H468 PolarHBondContact O-NE2 3.48Å
143	G	96	Very high	96.2	Very high	46 Å²	46	40.7 Å²	40.7	47%	0.474	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	1.4	-177.9	0	0	0	0	0	114.9	L141	L141-G143 PolarHBondContact O-N 2.83Å
144	A	97.6	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.			trans	-73	129.1	167.9	0	0	0	0	0	109.5	L141 Q142 I146 A168 Q169 L223 H468	L141-A144 HydrophobicContact CB-CB 4.16Å; L141-A144 HydrophobicContact CD2-CB 4.43Å; L141-A144 WeakPolarHBondContact O-CB 3.42Å; L141-A144 PolarHBondContact O-N 2.96Å; Q142-A144 VanDerWaalsContact C-N 3.28Å; Q142-A144 PolarHBondContact O-N 3.2Å; A144-I146 HydrophobicContact CB-CD1 4.16Å; A144-I146 HydrophobicContact CB-CG1 3.96Å; A144-A168 HydrophobicContact CB-CB 4.34Å; A144-Q169 PolarHBondContact O-N 3.34Å; A144-L223 HydrophobicContact CB-CD1 4.28Å; A144-H468 PolarHBondContact N-CE1 3.24Å
145	Q	98	Very high	96.4	Very high	31 Å²	31	32.9 Å²	32.9	15%	0.145	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	109.9	166.6	-69.7	-169.6	-32.9	0	0	107.2	Q169 W219 Q220 T222 L223	Q145-Q169 WeakPolarHBondContact CA-O 3.47Å; Q145-Q169 HydrophobicContact CG-CB 4.3Å; Q145-W219 HydrophobicContact CB-CD2 4.46Å; Q145-W219 HydrophobicContact CB-CE3 4.03Å; Q145-W219 HydrophobicContact CB-CH2 3.55Å; Q145-W219 HydrophobicContact CB-CZ2 4Å; Q145-W219 HydrophobicContact CB-CZ3 3.56Å; Q145-W219 HydrophobicContact CG-CE3 3.99Å; Q145-W219 HydrophobicContact CG-CH2 4.18Å; Q145-W219 HydrophobicContact CG-CZ3 3.66Å; Q145-Q220 PolarHBondContact OE1-O 3.21Å; Q145-T222 HydrophobicContact CB-CG2 4.4Å; Q145-T222 PolarHBondContact N-OG1 2.7Å; Q145-T222 PolarHBondContact O-N 2.82Å; Q145-T222 PolarHBondContact O-OG1 3.11Å; Q145-L223 PolarHBondContact O-N 2.85Å
146	I	98.4	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.6	-169	-47.4	-178	0	0	0	109.6	L141 A144 L163 A168 Q169 L170 R171 L223 V225 L464	L141-I146 HydrophobicContact CD1-CD1 4.28Å; A144-I146 HydrophobicContact CB-CD1 4.16Å; A144-I146 HydrophobicContact CB-CG1 3.96Å; I146-L163 HydrophobicContact CD1-CD2 4.19Å; I146-A168 HydrophobicContact CD1-CB 3.64Å; I146-A168 HydrophobicContact CG1-CB 4.14Å; I146-Q169 PolarHBondContact N-O 3.04Å; I146-L170 HydrophobicContact CB-CD2 3.71Å; I146-L170 HydrophobicContact CD1-CD2 4.11Å; I146-L170 HydrophobicContact CG1-CD2 4.13Å; I146-L170 HydrophobicContact CG2-CD2 4.48Å; I146-L170 WeakPolarHBondContact O-CA 3.29Å; I146-R171 PolarHBondContact O-N 3.4Å; I146-L223 WeakPolarHBondContact CA-O 3.16Å; I146-L223 HydrophobicContact CD1-CD1 4.45Å; I146-L223 HydrophobicContact CG1-CB 4.24Å; I146-L223 HydrophobicContact CG1-CD1 4.38Å; I146-L223 HydrophobicContact CG2-CB 4.34Å; I146-V225 HydrophobicContact CG2-CG2 3.86Å; I146-L464 HydrophobicContact CD1-CD1 4.25Å; I146-L464 HydrophobicContact CD1-CD2 4.46Å; I146-L464 HydrophobicContact CG2-CD2 4.39Å
147	I	98.6	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.1	165.8	-65.7	168.3	0	0	0	107.8	R171 C213 V214 W219 P221 L223 I224 V225 A231 M235	I147-R171 WeakPolarHBondContact CA-O 3.38Å; I147-C213 WeakPolarHBondContact CG1-O 3.37Å; I147-C213 HydrophobicContact CG2-CB 4.02Å; I147-V214 HydrophobicContact CD1-CB 4.41Å; I147-V214 HydrophobicContact CD1-CG2 3.97Å; I147-W219 HydrophobicContact CG1-CZ2 4.17Å; I147-P221 HydrophobicContact CD1-CB 3.43Å; I147-P221 VanDerWaalsContact CD1-CB 3.43Å; I147-P221 HydrophobicContact CD1-CG 3.76Å; I147-P221 HydrophobicContact CG1-CB 3.82Å; I147-L223 PolarHBondContact N-O 3.05Å; I147-I224 HydrophobicContact CB-CG1 4.4Å; I147-I224 CarbonylContact O-C 3.58Å; I147-I224 WeakPolarHBondContact O-CA 3.37Å; I147-V225 PolarHBondContact O-N 3.32Å; I147-A231 HydrophobicContact CG2-CB 4.42Å; I147-M235 HydrophobicContact CD1-CE 4.43Å; I147-M235 HydrophobicContact CD1-SD 3.56Å; I147-M235 VanDerWaalsContact CD1-SD 3.56Å
148	G	98.4	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.1	169.3	0	0	0	0	0	111.1	R171 W172 C173 V225	G148-R171 PolarHBondContact N-O 2.93Å; G148-W172 CarbonylContact O-C 3.57Å; G148-W172 WeakPolarHBondContact O-CA 3.47Å; G148-C173 PolarHBondContact O-N 3.32Å; G148-C173 PolarHBondContact O-SG 2.79Å; G148-V225 WeakPolarHBondContact CA-O 3.31Å
149	C	98	Very high	97.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	85.6	172.3	-179.4	0	0	0	0	108	C173 V225 D227 A231	C149-C173 WeakPolarHBondContact CA-O 3.42Å; C149-V225 PolarHBondContact N-O 2.91Å; C149-D227 PolarHBondContact O-N 3.08Å; C149-A231 HydrophobicContact CB-CB 3.49Å; C149-A231 VanDerWaalsContact CB-CB 3.49Å
150	T	96	Very high	97.3	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	10%	0.097	C	C	.	.	S	Bend	trans	-142.2	172.5	-175.5	69.9	0	0	0	0	109.4	V152 T156 W172 C173 A174 C175 V225 D227	T150-V152 PolarHBondContact O-N 3.13Å; T150-T156 WeakPolarHBondContact OG1-CG2 3.31Å; T150-W172 HydrophobicContact CG2-CZ2 4.1Å; T150-W172 WeakPolarHBondContact OG1-CZ2 3.39Å; T150-W172 PolarHBondContact OG1-NE1 3.04Å; T150-C173 PolarHBondContact N-O 3.27Å; T150-A174 CarbonylContact O-C 3.51Å; T150-A174 VanDerWaalsContact O-CA 3.25Å; T150-A174 WeakPolarHBondContact O-CA 3.21Å; T150-C175 PolarHBondContact O-N 2.82Å; T150-C175 VanDerWaalsContact O-N 3.11Å; T150-V225 HydrophobicContact CG2-CG1 4.07Å; T150-D227 HydrophobicContact CG2-CB 4.23Å
151	H	93.8	Very high	97.4	Very high	63 Å²	63	17 Å²	17	29%	0.292	9%	0.094	S	C	.	.			trans	-55.3	139.5	168.2	-63.5	-61.6	0	0	0	110.7	T153 T156 C175 S179 D227	H151-T153 HydrophobicContact CB-CG2 4.2Å; H151-T156 VanDerWaalsContact O-CB 3.32Å; H151-T156 WeakPolarHBondContact O-CB 3.42Å; H151-T156 VanDerWaalsContact O-CG2 3.28Å; H151-T156 WeakPolarHBondContact O-CG2 3.46Å; H151-T156 PolarHBondContact O-OG1 3.41Å; H151-C175 PolarHBondContact N-SG 3.03Å; H151-S179 WeakPolarHBondContact ND1-CB 3.34Å; H151-S179 PolarHBondContact ND1-OG 2.95Å; H151-D227 IonicContact CD2-OD2 3.58Å; H151-D227 PolarHBondContact CD2-OD2 3.16Å; H151-D227 IonicContact NE2-OD2 3.34Å
152	V	96	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.			trans	-100.2	92.5	178.4	178.1	0	0	0	0	109.1	T150 A174 T180 Q181 A185 I195 A197	T150-V152 PolarHBondContact O-N 3.13Å; V152-A174 HydrophobicContact CG2-CB 4.22Å; V152-T180 HydrophobicContact CB-CG2 3.98Å; V152-T180 HydrophobicContact CG1-CG2 4Å; V152-T180 CarbonylContact O-C 3.58Å; V152-T180 WeakPolarHBondContact O-CA 3.29Å; V152-Q181 PolarHBondContact O-N 2.81Å; V152-A185 HydrophobicContact CG1-CB 4.18Å; V152-I195 HydrophobicContact CG1-CD1 3.8Å; V152-I195 HydrophobicContact CG2-CD1 4.36Å; V152-A197 HydrophobicContact CB-CB 4.37Å; V152-A197 HydrophobicContact CG2-CB 3.78Å
153	T	95.6	Very high	97.4	Very high	25 Å²	25	12 Å²	12	15%	0.153	7%	0.07	C	C	.	.	S	Bend	trans	-128.8	168.4	-176.1	64.7	0	0	0	0	110.8	H151 Q155 T156 G157 V184	H151-T153 HydrophobicContact CB-CG2 4.2Å; T153-Q155 PolarHBondContact O-N 3.48Å; T153-Q155 PolarHBondContact OG1-OE1 3.21Å; T153-T156 PolarHBondContact N-OG1 2.82Å; T153-T156 CarbonylContact O-C 3.56Å; T153-T156 WeakPolarHBondContact O-CA 3.43Å; T153-T156 WeakPolarHBondContact O-CB 3.29Å; T153-T156 PolarHBondContact O-N 3.2Å; T153-T156 PolarHBondContact OG1-N 3Å; T153-T156 PolarHBondContact OG1-OG1 3.17Å; T153-T156 VanDerWaalsContact OG1-OG1 3.05Å; T153-G157 PolarHBondContact O-N 3.05Å; T153-V184 WeakPolarHBondContact O-CG1 3.44Å
154	A	96.9	Very high	97.5	Very high	3 Å²	3	12.7 Å²	12.7	3%	0.025	7%	0.065	C	C	.	.	H	α-helix	trans	-52.2	-40.2	177.4	0	0	0	0	0	112.3	E117 A121 G157 V158 V184	E117-A154 HydrophobicContact CB-CB 4.05Å; A121-A154 HydrophobicContact CB-CB 4.03Å; A154-G157 WeakPolarHBondContact O-CA 3.41Å; A154-G157 PolarHBondContact O-N 3.34Å; A154-G157 VanDerWaalsContact O-N 3.09Å; A154-V158 PolarHBondContact O-N 3.39Å; A154-V158 VanDerWaalsContact O-N 3.1Å; A154-V184 HydrophobicContact CB-CG2 4.12Å
155	Q	97	Very high	97.5	Very high	24 Å²	24	17.4 Å²	17.4	11%	0.112	9%	0.086	C	C	.	.	H	α-helix	trans	-67.2	-39.1	176.8	-62.4	79.7	9.9	0	0	112.2	A121 M125 T153 G157 V158 L159 S450 L453	A121-Q155 HydrophobicContact CB-CG 4.2Å; M125-Q155 HydrophobicContact CE-CB 4.07Å; M125-Q155 HydrophobicContact SD-CB 3.81Å; M125-Q155 HydrophobicContact SD-CG 3.98Å; T153-Q155 PolarHBondContact O-N 3.48Å; T153-Q155 PolarHBondContact OG1-OE1 3.21Å; Q155-G157 VanDerWaalsContact C-N 3.25Å; Q155-G157 PolarHBondContact O-N 3.49Å; Q155-V158 WeakPolarHBondContact O-CB 3.33Å; Q155-V158 PolarHBondContact O-N 3.15Å; Q155-V158 VanDerWaalsContact O-N 3.14Å; Q155-L159 PolarHBondContact O-N 3.31Å; Q155-S450 PolarHBondContact NE2-OG 2.66Å; Q155-L453 HydrophobicContact CB-CB 3.99Å; Q155-L453 HydrophobicContact CB-CD1 3.69Å; Q155-L453 HydrophobicContact CB-CG 4.46Å; Q155-L453 HydrophobicContact CG-CB 4.09Å; Q155-L453 HydrophobicContact CG-CD1 3.55Å; Q155-L453 HydrophobicContact CG-CG 4.44Å
156	T	96.9	Very high	97.6	Very high	15 Å²	15	16 Å²	16	9%	0.092	8%	0.079	C	C	.	.	H	α-helix	trans	-62.5	-36.1	169.9	-46.8	0	0	0	0	110.9	T150 H151 T153 V158 L159 I160 W172	T150-T156 WeakPolarHBondContact OG1-CG2 3.31Å; H151-T156 VanDerWaalsContact O-CB 3.32Å; H151-T156 WeakPolarHBondContact O-CB 3.42Å; H151-T156 VanDerWaalsContact O-CG2 3.28Å; H151-T156 WeakPolarHBondContact O-CG2 3.46Å; H151-T156 PolarHBondContact O-OG1 3.41Å; T153-T156 PolarHBondContact N-OG1 2.82Å; T153-T156 CarbonylContact O-C 3.56Å; T153-T156 WeakPolarHBondContact O-CA 3.43Å; T153-T156 WeakPolarHBondContact O-CB 3.29Å; T153-T156 PolarHBondContact O-N 3.2Å; T153-T156 PolarHBondContact OG1-N 3Å; T153-T156 PolarHBondContact OG1-OG1 3.17Å; T153-T156 VanDerWaalsContact OG1-OG1 3.05Å; T156-V158 VanDerWaalsContact C-N 3.3Å; T156-V158 PolarHBondContact O-N 3.5Å; T156-L159 WeakPolarHBondContact O-CB 3.35Å; T156-L159 PolarHBondContact O-N 2.85Å; T156-I160 HydrophobicContact CG2-CD1 3.96Å; T156-I160 HydrophobicContact CG2-CG1 4.32Å; T156-I160 WeakPolarHBondContact O-CB 3.44Å; T156-I160 VanDerWaalsContact O-CG1 3.28Å; T156-I160 WeakPolarHBondContact O-CG1 3.49Å; T156-I160 PolarHBondContact O-N 3.46Å; T156-W172 HydrophobicContact CG2-CZ2 3.88Å
157	G	98.1	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.9	-41.9	171.3	0	0	0	0	0	112.6	T153 A154 Q155 I160 R161	T153-G157 PolarHBondContact O-N 3.05Å; A154-G157 WeakPolarHBondContact O-CA 3.41Å; A154-G157 PolarHBondContact O-N 3.34Å; A154-G157 VanDerWaalsContact O-N 3.09Å; Q155-G157 VanDerWaalsContact C-N 3.25Å; Q155-G157 PolarHBondContact O-N 3.49Å; G157-I160 PolarHBondContact O-N 3.27Å; G157-R161 WeakPolarHBondContact O-CB 3.49Å; G157-R161 WeakPolarHBondContact O-CG 3.34Å; G157-R161 PolarHBondContact O-N 3.48Å
158	V	98.4	Very high	97.5	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-65.1	-43.6	174.4	-169.9	0	0	0	0	111.3	I118 A121 E122 M125 L128 A154 Q155 T156 R161 T162	I118-V158 HydrophobicContact CG2-CG2 3.83Å; I118-V158 WeakPolarHBondContact O-CG2 3.36Å; A121-V158 HydrophobicContact CB-CG2 3.83Å; E122-V158 HydrophobicContact CB-CG1 4.07Å; E122-V158 HydrophobicContact CB-CG2 4.04Å; E122-V158 HydrophobicContact CG-CG1 4.03Å; M125-V158 HydrophobicContact CB-CG1 4.42Å; M125-V158 HydrophobicContact CE-CB 4.35Å; M125-V158 HydrophobicContact SD-CB 3.63Å; M125-V158 HydrophobicContact SD-CG1 3.98Å; M125-V158 HydrophobicContact SD-CG2 3.68Å; L128-V158 HydrophobicContact CD1-CB 4.12Å; L128-V158 HydrophobicContact CD1-CG1 3.57Å; A154-V158 PolarHBondContact O-N 3.39Å; A154-V158 VanDerWaalsContact O-N 3.1Å; Q155-V158 WeakPolarHBondContact O-CB 3.33Å; Q155-V158 PolarHBondContact O-N 3.15Å; Q155-V158 VanDerWaalsContact O-N 3.14Å; T156-V158 VanDerWaalsContact C-N 3.3Å; T156-V158 PolarHBondContact O-N 3.5Å; V158-R161 PolarHBondContact O-N 2.96Å; V158-T162 VanDerWaalsContact O-CB 3.31Å; V158-T162 WeakPolarHBondContact O-CB 3.34Å; V158-T162 PolarHBondContact O-N 3.38Å; V158-T162 PolarHBondContact O-OG1 3.34Å
159	L	98.3	Very high	97.5	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-56.9	-50.3	174.1	166.1	62.8	0	0	0	111.4	Q155 T156 T162 L163 W172 A457 I461	Q155-L159 PolarHBondContact O-N 3.31Å; T156-L159 WeakPolarHBondContact O-CB 3.35Å; T156-L159 PolarHBondContact O-N 2.85Å; L159-T162 WeakPolarHBondContact O-CB 3.43Å; L159-T162 PolarHBondContact O-N 2.79Å; L159-T162 VanDerWaalsContact O-N 3.17Å; L159-L163 HydrophobicContact CD1-CD1 3.88Å; L159-L163 HydrophobicContact CD1-CG 4.03Å; L159-L163 HydrophobicContact CG-CD1 4.12Å; L159-L163 WeakPolarHBondContact O-CG 3.5Å; L159-L163 PolarHBondContact O-N 3.48Å; L159-W172 HydrophobicContact CD2-CH2 3.82Å; L159-W172 HydrophobicContact CD2-CZ2 3.93Å; L159-W172 HydrophobicContact CG-CH2 4.12Å; L159-A457 HydrophobicContact CB-CB 4.18Å; L159-A457 HydrophobicContact CD1-CB 4.14Å; L159-I461 HydrophobicContact CD1-CD1 3.76Å; L159-I461 HydrophobicContact CD1-CG1 3.6Å
160	I	98.6	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.6	-51.4	-179.9	-73	169.6	0	0	0	110.5	T156 G157 T162 L163 V164 L170 W172 L188 I193	T156-I160 HydrophobicContact CG2-CD1 3.96Å; T156-I160 HydrophobicContact CG2-CG1 4.32Å; T156-I160 WeakPolarHBondContact O-CB 3.44Å; T156-I160 VanDerWaalsContact O-CG1 3.28Å; T156-I160 WeakPolarHBondContact O-CG1 3.49Å; T156-I160 PolarHBondContact O-N 3.46Å; G157-I160 PolarHBondContact O-N 3.27Å; I160-T162 PolarHBondContact O-N 3.27Å; I160-L163 PolarHBondContact O-N 3.23Å; I160-V164 WeakPolarHBondContact O-CG2 3.41Å; I160-V164 PolarHBondContact O-N 3.33Å; I160-L170 HydrophobicContact CB-CD1 4.39Å; I160-L170 HydrophobicContact CG2-CD1 3.8Å; I160-L170 WeakPolarHBondContact O-CD1 3.37Å; I160-W172 HydrophobicContact CD1-CB 4.24Å; I160-W172 HydrophobicContact CD1-CD2 3.53Å; I160-W172 HydrophobicContact CD1-CE3 3.91Å; I160-W172 HydrophobicContact CD1-CG 3.7Å; I160-W172 HydrophobicContact CD1-CZ2 4.44Å; I160-W172 HydrophobicContact CD1-CZ3 4.49Å; I160-W172 HydrophobicContact CG1-CD2 3.65Å; I160-W172 HydrophobicContact CG1-CE3 3.52Å; I160-W172 HydrophobicContact CG1-CG 4.34Å; I160-W172 HydrophobicContact CG1-CH2 3.95Å; I160-W172 HydrophobicContact CG1-CZ2 4.09Å; I160-W172 HydrophobicContact CG1-CZ3 3.68Å; I160-L188 HydrophobicContact CB-CD2 4.29Å; I160-L188 HydrophobicContact CD1-CD1 3.59Å; I160-L188 HydrophobicContact CG2-CD2 3.85Å; I160-I193 HydrophobicContact CG2-CD1 3.66Å; I160-I193 HydrophobicContact CG2-CG2 4.02Å
161	R	98.3	Very high	97.6	Very high	34 Å²	34	22.4 Å²	22.4	13%	0.128	11%	0.111	C	C	.	.	H	α-helix	trans	-57.3	-39.1	176	-75.8	-178.2	176.1	174	3.6	111.7	I118 D119 G157 V158 V164 K165 E191	I118-R161 VanDerWaalsContact CG2-NH1 3.35Å; D119-R161 IonicContact OD1-CZ 3.03Å; D119-R161 IonicContact OD1-NH1 3.83Å; D119-R161 PolarHBondContact OD1-NH1 2.88Å; D119-R161 IonicContact OD1-NH2 3.87Å; G157-R161 WeakPolarHBondContact O-CB 3.49Å; G157-R161 WeakPolarHBondContact O-CG 3.34Å; G157-R161 PolarHBondContact O-N 3.48Å; V158-R161 PolarHBondContact O-N 2.96Å; R161-V164 PolarHBondContact O-N 2.97Å; R161-K165 VanDerWaalsContact O-CG 3.3Å; R161-K165 WeakPolarHBondContact O-CG 3.3Å; R161-K165 PolarHBondContact O-N 3.26Å; R161-E191 IonicContact CZ-OE1 2.75Å; R161-E191 IonicContact NE-OE1 3.97Å; R161-E191 PolarHBondContact NE-OE1 3.49Å; R161-E191 IonicContact NE-OE2 3.45Å; R161-E191 PolarHBondContact NE-OE2 2.98Å; R161-E191 IonicContact NH2-OE1 2.7Å; R161-E191 PolarHBondContact NH2-OE1 3.49Å
162	T	98.5	Very high	97.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-66	-45.6	178.2	-58.4	0	0	0	0	111.8	L128 L132 V158 L159 I160 V164 K165 L166 I461	L128-T162 HydrophobicContact CB-CG2 4.4Å; L128-T162 HydrophobicContact CD2-CG2 4.33Å; L132-T162 HydrophobicContact CD1-CG2 4.02Å; L132-T162 HydrophobicContact CD2-CG2 3.96Å; L132-T162 HydrophobicContact CG-CG2 3.85Å; V158-T162 VanDerWaalsContact O-CB 3.31Å; V158-T162 WeakPolarHBondContact O-CB 3.34Å; V158-T162 PolarHBondContact O-N 3.38Å; V158-T162 PolarHBondContact O-OG1 3.34Å; L159-T162 WeakPolarHBondContact O-CB 3.43Å; L159-T162 PolarHBondContact O-N 2.79Å; L159-T162 VanDerWaalsContact O-N 3.17Å; I160-T162 PolarHBondContact O-N 3.27Å; T162-V164 VanDerWaalsContact C-N 3.33Å; T162-V164 PolarHBondContact O-N 3.3Å; T162-K165 PolarHBondContact O-N 3.33Å; T162-L166 HydrophobicContact CG2-CD1 4.05Å; T162-L166 VanDerWaalsContact O-CG 3.3Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 3.32Å; T162-I461 HydrophobicContact CG2-CD1 3.55Å
163	L	98.6	Very high	97.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.5	-40.9	176.5	-72.8	170	0	0	0	112.3	L141 I146 L159 I160 L166 G167 A168 L170 W172 I461 L464	L141-L163 HydrophobicContact CD1-CD2 3.45Å; L141-L163 VanDerWaalsContact CD1-CD2 3.45Å; I146-L163 HydrophobicContact CD1-CD2 4.19Å; L159-L163 HydrophobicContact CD1-CD1 3.88Å; L159-L163 HydrophobicContact CD1-CG 4.03Å; L159-L163 HydrophobicContact CG-CD1 4.12Å; L159-L163 WeakPolarHBondContact O-CG 3.5Å; L159-L163 PolarHBondContact O-N 3.48Å; I160-L163 PolarHBondContact O-N 3.23Å; L163-L166 CarbonylContact O-C 3.38Å; L163-L166 PolarHBondContact O-N 3.42Å; L163-G167 PolarHBondContact O-N 2.76Å; L163-A168 HydrophobicContact CB-CB 4.39Å; L163-A168 WeakPolarHBondContact O-CB 3.48Å; L163-A168 PolarHBondContact O-N 3.25Å; L163-A168 VanDerWaalsContact O-N 3.08Å; L163-L170 HydrophobicContact CB-CD1 3.85Å; L163-L170 HydrophobicContact CB-CD2 4.03Å; L163-L170 HydrophobicContact CD1-CD1 4.43Å; L163-L170 HydrophobicContact CD1-CD2 4.15Å; L163-W172 HydrophobicContact CD1-CH2 3.82Å; L163-W172 HydrophobicContact CD1-CZ3 3.67Å; L163-I461 HydrophobicContact CD2-CG1 3.85Å; L163-I461 HydrophobicContact CG-CG1 4.3Å; L163-L464 HydrophobicContact CD1-CD1 4.49Å; L163-L464 HydrophobicContact CD2-CD1 3.69Å
164	V	98.2	Very high	97.9	Very high	61 Å²	61	18.2 Å²	18.2	37%	0.37	9%	0.091	S	C	.	.	H	α-helix	trans	-61.3	-47.9	173.6	174.4	0	0	0	0	110.9	I160 R161 T162 L166 G167 L170 I193	I160-V164 WeakPolarHBondContact O-CG2 3.41Å; I160-V164 PolarHBondContact O-N 3.33Å; R161-V164 PolarHBondContact O-N 2.97Å; T162-V164 VanDerWaalsContact C-N 3.33Å; T162-V164 PolarHBondContact O-N 3.3Å; V164-L166 PolarHBondContact O-N 3.19Å; V164-G167 WeakPolarHBondContact O-CA 3.11Å; V164-G167 PolarHBondContact O-N 2.75Å; V164-L170 HydrophobicContact CG2-CD1 3.62Å; V164-L170 HydrophobicContact CG2-CG 4.26Å; V164-I193 HydrophobicContact CG2-CD1 4.16Å
165	K	97.9	Very high	97.8	Very high	100 Å²	100	18.8 Å²	18.8	44%	0.435	9%	0.094	S	C	.	.	H	α-helix	trans	-59	-32.8	176.3	-72.1	171.4	-175.4	174.2	0	111.9	E122 L132 R161 T162 G167	E122-K165 IonicContact OE1-NZ 3.4Å; E122-K165 PolarHBondContact OE1-NZ 3.48Å; L132-K165 HydrophobicContact CD1-CD 3.6Å; L132-K165 HydrophobicContact CD2-CB 3.59Å; L132-K165 HydrophobicContact CD2-CD 4.12Å; R161-K165 VanDerWaalsContact O-CG 3.3Å; R161-K165 WeakPolarHBondContact O-CG 3.3Å; R161-K165 PolarHBondContact O-N 3.26Å; T162-K165 PolarHBondContact O-N 3.33Å; K165-G167 VanDerWaalsContact C-N 3.26Å; K165-G167 PolarHBondContact O-N 2.87Å
166	L	98.3	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.4	174.9	-66.6	169.5	0	0	0	114.3	L131 L132 V135 R139 P140 L141 T162 L163 V164 I461 I465	L131-L166 HydrophobicContact CD2-CD1 4.49Å; L132-L166 HydrophobicContact CD2-CD2 4.12Å; L132-L166 HydrophobicContact CD2-CG 4.09Å; V135-L166 HydrophobicContact CG2-CD2 4.06Å; R139-L166 CarbonylContact C-O 3.55Å; R139-L166 WeakPolarHBondContact CA-O 3.49Å; P140-L166 HydrophobicContact CG-CD2 3.89Å; L141-L166 WeakPolarHBondContact CA-O 3.44Å; L141-L166 HydrophobicContact CB-CB 4.31Å; L141-L166 HydrophobicContact CD1-CB 4.04Å; L141-L166 HydrophobicContact CD1-CD1 4.27Å; L141-L166 HydrophobicContact CG-CB 4.32Å; L141-L166 PolarHBondContact N-O 2.82Å; T162-L166 HydrophobicContact CG2-CD1 4.05Å; T162-L166 VanDerWaalsContact O-CG 3.3Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 3.32Å; L163-L166 CarbonylContact O-C 3.38Å; L163-L166 PolarHBondContact O-N 3.42Å; V164-L166 PolarHBondContact O-N 3.19Å; L166-I461 HydrophobicContact CD1-CD1 4.46Å; L166-I461 HydrophobicContact CD1-CG2 3.35Å; L166-I465 HydrophobicContact CD1-CD1 4.48Å
167	G	97.8	Very high	96.9	Very high	5 Å²	5	22.4 Å²	22.4	5%	0.052	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	5.4	171.8	0	0	0	0	0	116.3	L141 Q142 L163 V164 K165	L141-G167 CarbonylContact O-C 3.6Å; Q142-G167 WeakPolarHBondContact CA-O 3.39Å; L163-G167 PolarHBondContact O-N 2.76Å; V164-G167 WeakPolarHBondContact O-CA 3.11Å; V164-G167 PolarHBondContact O-N 2.75Å; K165-G167 VanDerWaalsContact C-N 3.26Å; K165-G167 PolarHBondContact O-N 2.87Å
168	A	98.2	Very high	96.3	Very high	7 Å²	7	29.4 Å²	29.4	6%	0.058	14%	0.14	C	C	.	.			trans	-75.4	150.3	177	0	0	0	0	0	112.2	L141 A144 I146 L163 L170	L141-A168 HydrophobicContact CB-CB 3.99Å; L141-A168 HydrophobicContact CD1-CB 4.36Å; A144-A168 HydrophobicContact CB-CB 4.34Å; I146-A168 HydrophobicContact CD1-CB 3.64Å; I146-A168 HydrophobicContact CG1-CB 4.14Å; L163-A168 HydrophobicContact CB-CB 4.39Å; L163-A168 WeakPolarHBondContact O-CB 3.48Å; L163-A168 PolarHBondContact O-N 3.25Å; L163-A168 VanDerWaalsContact O-N 3.08Å; A168-L170 HydrophobicContact CB-CD2 3.79Å
169	Q	98	Very high	95.8	Very high	106 Å²	106	30.4 Å²	30.4	50%	0.495	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.4	160.3	-61.8	175.5	11.3	0	0	108.3	A144 Q145 I146 W219	A144-Q169 PolarHBondContact O-N 3.34Å; Q145-Q169 WeakPolarHBondContact CA-O 3.47Å; Q145-Q169 HydrophobicContact CG-CB 4.3Å; I146-Q169 PolarHBondContact N-O 3.04Å; Q169-W219 HydrophobicContact CB-CZ3 3.9Å; Q169-W219 WeakPolarHBondContact O-CH2 3.42Å
170	L	98.2	Very high	95.6	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.047	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.9	-167.5	-53.2	177.8	0	0	0	111.4	I146 I160 L163 V164 A168 W172 P194	I146-L170 HydrophobicContact CB-CD2 3.71Å; I146-L170 HydrophobicContact CD1-CD2 4.11Å; I146-L170 HydrophobicContact CG1-CD2 4.13Å; I146-L170 HydrophobicContact CG2-CD2 4.48Å; I146-L170 WeakPolarHBondContact O-CA 3.29Å; I160-L170 HydrophobicContact CB-CD1 4.39Å; I160-L170 HydrophobicContact CG2-CD1 3.8Å; I160-L170 WeakPolarHBondContact O-CD1 3.37Å; L163-L170 HydrophobicContact CB-CD1 3.85Å; L163-L170 HydrophobicContact CB-CD2 4.03Å; L163-L170 HydrophobicContact CD1-CD1 4.43Å; L163-L170 HydrophobicContact CD1-CD2 4.15Å; V164-L170 HydrophobicContact CG2-CD1 3.62Å; V164-L170 HydrophobicContact CG2-CG 4.26Å; A168-L170 HydrophobicContact CB-CD2 3.79Å; L170-W172 HydrophobicContact CD1-CE3 4.5Å; L170-W172 HydrophobicContact CD1-CZ3 4.4Å; L170-W172 HydrophobicContact CD2-CZ3 4.47Å; L170-P194 WeakPolarHBondContact O-CD 3.48Å
171	R	98.4	Very high	95.4	Very high	11 Å²	11	33.4 Å²	33.4	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.7	158.8	-56.9	-177.1	72.8	75.6	-0.3	107.7	D102 I146 I147 G148 P194 F196 R212 C213 W219	D102-R171 IonicContact OD1-CZ 3.96Å; D102-R171 IonicContact OD1-NH1 3.75Å; D102-R171 IonicContact OD1-NH2 2.93Å; D102-R171 PolarHBondContact OD1-NH2 2.88Å; D102-R171 IonicContact OD2-CZ 2.69Å; D102-R171 IonicContact OD2-NH1 2.82Å; D102-R171 PolarHBondContact OD2-NH1 2.89Å; D102-R171 IonicContact OD2-NH2 3.44Å; D102-R171 PolarHBondContact OD2-NH2 2.77Å; I146-R171 PolarHBondContact O-N 3.4Å; I147-R171 WeakPolarHBondContact CA-O 3.38Å; G148-R171 PolarHBondContact N-O 2.93Å; R171-P194 WeakPolarHBondContact CA-O 3.36Å; R171-P194 HydrophobicContact CB-CB 4.42Å; R171-P194 HydrophobicContact CG-CB 4.09Å; R171-P194 HydrophobicContact CG-CG 4.35Å; R171-F196 VanDerWaalsContact NH2-CE2 3.33Å; R171-F196 VanDerWaalsContact NH2-CZ 3.29Å; R171-R212 PolarHBondContact NE-O 3.22Å; R171-R212 PolarHBondContact NH2-O 3.26Å; R171-C213 HydrophobicContact CB-CB 4.04Å; R171-C213 WeakPolarHBondContact CD-O 3.46Å; R171-W219 HydrophobicContact CB-CZ2 4.16Å; R171-W219 HydrophobicContact CG-CD2 4.1Å; R171-W219 HydrophobicContact CG-CE3 4.26Å; R171-W219 HydrophobicContact CG-CH2 3.84Å; R171-W219 HydrophobicContact CG-CZ2 3.67Å; R171-W219 HydrophobicContact CG-CZ3 4.14Å
172	W	98.6	Very high	95.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.5	-169.7	-141.5	-77.1	0	0	0	113	G148 T150 T156 L159 I160 L163 L170 P194 I195 F196 C213	G148-W172 CarbonylContact O-C 3.57Å; G148-W172 WeakPolarHBondContact O-CA 3.47Å; T150-W172 HydrophobicContact CG2-CZ2 4.1Å; T150-W172 WeakPolarHBondContact OG1-CZ2 3.39Å; T150-W172 PolarHBondContact OG1-NE1 3.04Å; T156-W172 HydrophobicContact CG2-CZ2 3.88Å; L159-W172 HydrophobicContact CD2-CH2 3.82Å; L159-W172 HydrophobicContact CD2-CZ2 3.93Å; L159-W172 HydrophobicContact CG-CH2 4.12Å; I160-W172 HydrophobicContact CD1-CB 4.24Å; I160-W172 HydrophobicContact CD1-CD2 3.53Å; I160-W172 HydrophobicContact CD1-CE3 3.91Å; I160-W172 HydrophobicContact CD1-CG 3.7Å; I160-W172 HydrophobicContact CD1-CZ2 4.44Å; I160-W172 HydrophobicContact CD1-CZ3 4.49Å; I160-W172 HydrophobicContact CG1-CD2 3.65Å; I160-W172 HydrophobicContact CG1-CE3 3.52Å; I160-W172 HydrophobicContact CG1-CG 4.34Å; I160-W172 HydrophobicContact CG1-CH2 3.95Å; I160-W172 HydrophobicContact CG1-CZ2 4.09Å; I160-W172 HydrophobicContact CG1-CZ3 3.68Å; L163-W172 HydrophobicContact CD1-CH2 3.82Å; L163-W172 HydrophobicContact CD1-CZ3 3.67Å; L170-W172 HydrophobicContact CD1-CE3 4.5Å; L170-W172 HydrophobicContact CD1-CZ3 4.4Å; L170-W172 HydrophobicContact CD2-CZ3 4.47Å; W172-P194 PolarHBondContact N-O 2.88Å; W172-I195 HydrophobicContact CB-CD1 4.49Å; W172-I195 HydrophobicContact CB-CG1 4.3Å; W172-I195 CarbonylContact O-C 3.54Å; W172-I195 WeakPolarHBondContact O-CA 3.48Å; W172-F196 PolarHBondContact O-N 3.02Å; W172-C213 PolarHBondContact O-SG 2.82Å
173	C	98.1	Very high	95.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	164.4	173.2	57.3	0	0	0	0	110.8	G148 C149 T150 F196 C209	G148-C173 PolarHBondContact O-N 3.32Å; G148-C173 PolarHBondContact O-SG 2.79Å; C149-C173 WeakPolarHBondContact CA-O 3.42Å; T150-C173 PolarHBondContact N-O 3.27Å; C173-F196 WeakPolarHBondContact CA-O 3.36Å; C173-F196 WeakPolarHBondContact CB-O 3.48Å; C173-C209 HydrophobicContact CB-CB 4.03Å
174	A	95.5	Very high	95.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	17%	0.17	C	C	.	.			trans	-76.6	143.5	176.5	0	0	0	0	0	111.5	T150 V152 N176 T180 A197 F206	T150-A174 CarbonylContact O-C 3.51Å; T150-A174 VanDerWaalsContact O-CA 3.25Å; T150-A174 WeakPolarHBondContact O-CA 3.21Å; V152-A174 HydrophobicContact CG2-CB 4.22Å; A174-N176 VanDerWaalsContact C-N 3.35Å; A174-T180 WeakPolarHBondContact CB-OG1 3.27Å; A174-A197 HydrophobicContact CB-CB 4.12Å; A174-F206 VanDerWaalsContact O-CE2 3.25Å; A174-F206 WeakPolarHBondContact O-CE2 3.44Å
175	C	92.9	Very high	95.2	Very high	14 Å²	14	31.9 Å²	31.9	10%	0.095	15%	0.153	C	C	.	.	S	Bend	trans	-88.2	-4.3	167.5	68.2	0	0	0	0	113.2	T150 H151 D227	T150-C175 PolarHBondContact O-N 2.82Å; T150-C175 VanDerWaalsContact O-N 3.11Å; H151-C175 PolarHBondContact N-SG 3.03Å; C175-D227 HydrophobicContact CB-CB 4.28Å; C175-D227 WeakPolarHBondContact CB-O 3.33Å
176	N	88.3	Confident	95.3	Very high	69 Å²	69	27.1 Å²	27.1	37%	0.369	13%	0.132	S	C	.	.	S	Bend	trans	-150	129.1	-179.8	-176.4	-63.7	0	0	0	111.3	A174 Y178 S179	A174-N176 VanDerWaalsContact C-N 3.35Å; N176-Y178 PolarHBondContact O-N 3.04Å; N176-Y178 PolarHBondContact OD1-N 2.8Å; N176-S179 WeakPolarHBondContact CB-OG 3.37Å; N176-S179 PolarHBondContact O-N 3.31Å; N176-S179 PolarHBondContact O-OG 3.14Å
177	I	88.1	Confident	95.3	Very high	46 Å²	46	27.2 Å²	27.2	24%	0.236	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-17.8	-174.8	63.4	175.2	0	0	0	115.4	G200 E201 F206	I177-G200 WeakPolarHBondContact O-CA 3.36Å; I177-G200 PolarHBondContact O-N 3.37Å; I177-E201 HydrophobicContact CB-CB 3.95Å; I177-E201 WeakPolarHBondContact CB-O 3.48Å; I177-E201 HydrophobicContact CG2-CB 3.86Å; I177-E201 PolarHBondContact O-N 2.6Å; I177-F206 HydrophobicContact CG2-CB 3.91Å; I177-F206 HydrophobicContact CG2-CD2 3.95Å; I177-F206 HydrophobicContact CG2-CG 4.12Å
178	Y	84.9	Confident	95.3	Very high	147 Å²	147	27 Å²	27	58%	0.576	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.6	6.2	-180	-59.6	-60	0	0	0	113.7	N176	N176-Y178 PolarHBondContact O-N 3.04Å; N176-Y178 PolarHBondContact OD1-N 2.8Å
179	S	87.3	Confident	95.3	Very high	23 Å²	23	26.7 Å²	26.7	16%	0.161	13%	0.128	C	C	.	.			trans	-98.7	-6	-169.6	67.5	0	0	0	0	115.2	H151 N176	H151-S179 WeakPolarHBondContact ND1-CB 3.34Å; H151-S179 PolarHBondContact ND1-OG 2.95Å; N176-S179 WeakPolarHBondContact CB-OG 3.37Å; N176-S179 PolarHBondContact O-N 3.31Å; N176-S179 PolarHBondContact O-OG 3.14Å
180	T	94	Very high	95.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.118	C	C	.	.			trans	-76.9	126.4	-179	-56.6	0	0	0	0	110.6	V152 A174 A185 A197 W198 E199	V152-T180 HydrophobicContact CB-CG2 3.98Å; V152-T180 HydrophobicContact CG1-CG2 4Å; V152-T180 CarbonylContact O-C 3.58Å; V152-T180 WeakPolarHBondContact O-CA 3.29Å; A174-T180 WeakPolarHBondContact CB-OG1 3.27Å; T180-A185 HydrophobicContact CG2-CB 3.99Å; T180-A197 HydrophobicContact CG2-CB 3.91Å; T180-W198 VanDerWaalsContact CB-C 3.41Å; T180-W198 PolarHBondContact OG1-O 2.81Å; T180-E199 WeakPolarHBondContact O-CB 3.4Å
181	Q	94.7	Very high	95.2	Very high	64 Å²	64	27.7 Å²	27.7	30%	0.299	13%	0.133	S	C	.	.			trans	-84.1	104.5	162.2	-70.1	173.8	-12.7	0	0	107.8	V152 E183 V184 A185	V152-Q181 PolarHBondContact O-N 2.81Å; Q181-E183 PolarHBondContact O-N 2.99Å; Q181-V184 HydrophobicContact CB-CB 4.02Å; Q181-V184 HydrophobicContact CB-CG2 3.78Å; Q181-V184 WeakPolarHBondContact O-CB 3.3Å; Q181-V184 PolarHBondContact O-N 2.83Å; Q181-A185 PolarHBondContact O-N 3.03Å
182	D	97.2	Very high	95.1	Very high	16 Å²	16	30 Å²	30	9%	0.086	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-35.9	-172.5	-77.6	-29.2	0	0	0	112.4	R106 V184 A185 A186 W198 E199	R106-D182 HydrophobicContact CB-CB 4.36Å; R106-D182 WeakPolarHBondContact CD-OD2 3.21Å; R106-D182 IonicContact NE-OD2 2.85Å; R106-D182 PolarHBondContact NE-OD2 3.16Å; D182-V184 VanDerWaalsContact C-N 3.34Å; D182-V184 PolarHBondContact O-N 3.34Å; D182-A185 PolarHBondContact O-N 3.14Å; D182-A186 VanDerWaalsContact O-CB 3.32Å; D182-A186 WeakPolarHBondContact O-CB 3.45Å; D182-A186 PolarHBondContact O-N 3.4Å; D182-W198 WeakPolarHBondContact OD1-CA 3.47Å; D182-W198 WeakPolarHBondContact OD1-CB 3.04Å; D182-E199 PolarHBondContact OD1-N 2.81Å
183	E	97.8	Very high	95	Very high	49 Å²	49	30.7 Å²	30.7	23%	0.229	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-39.1	172.9	60.5	-85.7	-166.2	0	0	113.3	S110 Y113 G114 Q181 A186 A187	S110-E183 WeakPolarHBondContact OG-CA 3.44Å; Y113-E183 HydrophobicContact CD1-CB 3.84Å; Y113-E183 HydrophobicContact CD1-CG 3.71Å; Y113-E183 HydrophobicContact CE1-CG 3.96Å; G114-E183 WeakPolarHBondContact CA-O 3.47Å; Q181-E183 PolarHBondContact O-N 2.99Å; E183-A186 WeakPolarHBondContact O-CB 3.49Å; E183-A186 PolarHBondContact O-N 2.52Å; E183-A187 PolarHBondContact O-N 3.24Å
184	V	98	Very high	95	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-72.1	-43.3	178.8	174.4	0	0	0	0	109.7	I118 T153 A154 Q181 D182 A186 A187 L188	I118-V184 HydrophobicContact CD1-CG1 4.09Å; I118-V184 HydrophobicContact CG1-CG1 4.16Å; T153-V184 WeakPolarHBondContact O-CG1 3.44Å; A154-V184 HydrophobicContact CB-CG2 4.12Å; Q181-V184 HydrophobicContact CB-CB 4.02Å; Q181-V184 HydrophobicContact CB-CG2 3.78Å; Q181-V184 WeakPolarHBondContact O-CB 3.3Å; Q181-V184 PolarHBondContact O-N 2.83Å; D182-V184 VanDerWaalsContact C-N 3.34Å; D182-V184 PolarHBondContact O-N 3.34Å; V184-A186 VanDerWaalsContact C-N 3.27Å; V184-A186 PolarHBondContact O-N 3.29Å; V184-A187 WeakPolarHBondContact O-CB 3.33Å; V184-A187 PolarHBondContact O-N 2.91Å; V184-L188 HydrophobicContact CG1-CD1 4.08Å; V184-L188 WeakPolarHBondContact O-CG 3.28Å; V184-L188 PolarHBondContact O-N 3.19Å
185	A	98	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-41.8	174.6	0	0	0	0	0	111.2	V105 V152 T180 Q181 D182 L188 A189 I195	V105-A185 HydrophobicContact CB-CB 4.32Å; V105-A185 HydrophobicContact CG1-CB 3.74Å; V152-A185 HydrophobicContact CG1-CB 4.18Å; T180-A185 HydrophobicContact CG2-CB 3.99Å; Q181-A185 PolarHBondContact O-N 3.03Å; D182-A185 PolarHBondContact O-N 3.14Å; A185-L188 PolarHBondContact O-N 3.13Å; A185-A189 WeakPolarHBondContact O-CB 3.36Å; A185-A189 PolarHBondContact O-N 3.36Å; A185-I195 HydrophobicContact CB-CD1 4.3Å
186	A	98.2	Very high	95.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-43.1	174	0	0	0	0	0	112.9	T107 A111 D182 E183 V184 A189 M190	T107-A186 WeakPolarHBondContact O-CB 3.14Å; A111-A186 HydrophobicContact CB-CB 3.93Å; D182-A186 VanDerWaalsContact O-CB 3.32Å; D182-A186 WeakPolarHBondContact O-CB 3.45Å; D182-A186 PolarHBondContact O-N 3.4Å; E183-A186 WeakPolarHBondContact O-CB 3.49Å; E183-A186 PolarHBondContact O-N 2.52Å; V184-A186 VanDerWaalsContact C-N 3.27Å; V184-A186 PolarHBondContact O-N 3.29Å; A186-A189 PolarHBondContact O-N 2.88Å; A186-M190 WeakPolarHBondContact O-CG 3.43Å; A186-M190 PolarHBondContact O-N 3.49Å
187	A	98.5	Very high	95.8	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-46.1	177.9	0	0	0	0	0	111.8	A111 A115 I118 E183 V184 A189 M190 E191	A111-A187 WeakPolarHBondContact O-CB 3.34Å; A115-A187 HydrophobicContact CB-CB 4.23Å; I118-A187 HydrophobicContact CD1-CB 4.07Å; E183-A187 PolarHBondContact O-N 3.24Å; V184-A187 WeakPolarHBondContact O-CB 3.33Å; V184-A187 PolarHBondContact O-N 2.91Å; A187-A189 PolarHBondContact O-N 3.5Å; A187-M190 WeakPolarHBondContact O-CB 3.49Å; A187-M190 PolarHBondContact O-N 3.3Å; A187-E191 PolarHBondContact O-N 2.86Å; A187-E191 VanDerWaalsContact O-N 3.11Å
188	L	98.2	Very high	96.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.6	-39.3	178.3	-65.9	170.8	0	0	0	112	I118 I160 V184 A185 M190 E191 I193 I195	I118-L188 HydrophobicContact CD1-CD2 4.27Å; I118-L188 HydrophobicContact CD1-CG 4.42Å; I160-L188 HydrophobicContact CB-CD2 4.29Å; I160-L188 HydrophobicContact CD1-CD1 3.59Å; I160-L188 HydrophobicContact CG2-CD2 3.85Å; V184-L188 HydrophobicContact CG1-CD1 4.08Å; V184-L188 WeakPolarHBondContact O-CG 3.28Å; V184-L188 PolarHBondContact O-N 3.19Å; A185-L188 PolarHBondContact O-N 3.13Å; L188-M190 VanDerWaalsContact C-N 3.33Å; L188-M190 PolarHBondContact O-N 3Å; L188-E191 WeakPolarHBondContact O-CB 3.33Å; L188-E191 PolarHBondContact O-N 2.87Å; L188-E191 VanDerWaalsContact O-N 3.13Å; L188-I193 HydrophobicContact CD2-CD1 4.1Å; L188-I193 WeakPolarHBondContact O-CB 3.28Å; L188-I193 PolarHBondContact O-N 3.34Å; L188-I193 VanDerWaalsContact O-N 3.15Å; L188-I195 HydrophobicContact CB-CD1 4.19Å; L188-I195 HydrophobicContact CB-CG2 4.38Å; L188-I195 HydrophobicContact CD1-CD1 3.56Å
189	A	97.8	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-41.7	173.1	0	0	0	0	0	111.8	T96 F103 V105 L108 A185 A186 A187 E191 N192 I195	T96-A189 VanDerWaalsContact CG2-O 3.31Å; T96-A189 WeakPolarHBondContact CG2-O 3.32Å; F103-A189 HydrophobicContact CB-CB 4.22Å; F103-A189 HydrophobicContact CD1-CB 4.2Å; F103-A189 HydrophobicContact CD2-CB 3.68Å; F103-A189 HydrophobicContact CE2-CB 4.07Å; F103-A189 HydrophobicContact CG-CB 3.76Å; F103-A189 HydrophobicContact CZ-CB 4.5Å; V105-A189 HydrophobicContact CG1-CB 4.43Å; L108-A189 HydrophobicContact CD2-CB 3.97Å; A185-A189 WeakPolarHBondContact O-CB 3.36Å; A185-A189 PolarHBondContact O-N 3.36Å; A186-A189 PolarHBondContact O-N 2.88Å; A187-A189 PolarHBondContact O-N 3.5Å; A189-E191 PolarHBondContact O-N 3.16Å; A189-N192 WeakPolarHBondContact O-CA 3.29Å; A189-N192 PolarHBondContact O-N 2.83Å; A189-I195 HydrophobicContact CB-CG2 4.04Å
190	M	97.5	Very high	96.7	Very high	61 Å²	61	24.3 Å²	24.3	30%	0.3	13%	0.129	S	C	.	.	H	α-helix	trans	-64.4	-24	175	-79.8	-70.1	-168	0	0	113.7	T96 P97 L108 A111 A186 A187 L188 N192	T96-M190 HydrophobicContact CG2-SD 4.22Å; P97-M190 WeakPolarHBondContact CD-SD 3.37Å; P97-M190 HydrophobicContact CG-CE 4.2Å; P97-M190 HydrophobicContact CG-SD 4.31Å; L108-M190 HydrophobicContact CB-CE 3.96Å; L108-M190 HydrophobicContact CD1-CE 4.15Å; L108-M190 HydrophobicContact CD2-CG 4.44Å; L108-M190 HydrophobicContact CG-CE 4.46Å; A111-M190 HydrophobicContact CB-CB 4.28Å; A111-M190 HydrophobicContact CB-CG 3.55Å; A186-M190 WeakPolarHBondContact O-CG 3.43Å; A186-M190 PolarHBondContact O-N 3.49Å; A187-M190 WeakPolarHBondContact O-CB 3.49Å; A187-M190 PolarHBondContact O-N 3.3Å; L188-M190 VanDerWaalsContact C-N 3.33Å; L188-M190 PolarHBondContact O-N 3Å; M190-N192 PolarHBondContact O-N 3.22Å
191	E	97	Very high	96.6	Very high	75 Å²	75	24.4 Å²	24.4	35%	0.35	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.7	172	-69.7	175.4	-148.3	0	0	113.3	R161 A187 L188 A189 I193	R161-E191 IonicContact CZ-OE1 2.75Å; R161-E191 IonicContact NE-OE1 3.97Å; R161-E191 PolarHBondContact NE-OE1 3.49Å; R161-E191 IonicContact NE-OE2 3.45Å; R161-E191 PolarHBondContact NE-OE2 2.98Å; R161-E191 IonicContact NH2-OE1 2.7Å; R161-E191 PolarHBondContact NH2-OE1 3.49Å; A187-E191 PolarHBondContact O-N 2.86Å; A187-E191 VanDerWaalsContact O-N 3.11Å; L188-E191 WeakPolarHBondContact O-CB 3.33Å; L188-E191 PolarHBondContact O-N 2.87Å; L188-E191 VanDerWaalsContact O-N 3.13Å; A189-E191 PolarHBondContact O-N 3.16Å; E191-I193 VanDerWaalsContact C-N 3.31Å; E191-I193 HydrophobicContact CB-CD1 4.14Å; E191-I193 HydrophobicContact CB-CG1 4.28Å
192	N	96.6	Very high	96.5	Very high	61 Å²	61	23.9 Å²	23.9	33%	0.326	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	33.3	-176.9	-56.5	-27.5	0	0	0	113.7	F100 A189 M190	F100-N192 HydrophobicContact CB-CB 4.27Å; F100-N192 WeakPolarHBondContact CB-OD1 3.35Å; F100-N192 HydrophobicContact CD1-CB 4.14Å; F100-N192 HydrophobicContact CD2-CB 4.1Å; F100-N192 HydrophobicContact CE2-CB 4.49Å; F100-N192 HydrophobicContact CG-CB 3.92Å; A189-N192 WeakPolarHBondContact O-CA 3.29Å; A189-N192 PolarHBondContact O-N 2.83Å; M190-N192 PolarHBondContact O-N 3.22Å
193	I	97.2	Very high	96.2	Very high	14 Å²	14	30.3 Å²	30.3	7%	0.072	16%	0.163	C	C	.	.			trans	-97.4	124.1	175.8	-59.8	172.4	0	0	0	108.1	I160 V164 L188 E191 I195	I160-I193 HydrophobicContact CG2-CD1 3.66Å; I160-I193 HydrophobicContact CG2-CG2 4.02Å; V164-I193 HydrophobicContact CG2-CD1 4.16Å; L188-I193 HydrophobicContact CD2-CD1 4.1Å; L188-I193 WeakPolarHBondContact O-CB 3.28Å; L188-I193 PolarHBondContact O-N 3.34Å; L188-I193 VanDerWaalsContact O-N 3.15Å; E191-I193 VanDerWaalsContact C-N 3.31Å; E191-I193 HydrophobicContact CB-CD1 4.14Å; E191-I193 HydrophobicContact CB-CG1 4.28Å; I193-I195 PolarHBondContact O-N 3Å
194	P	97.7	Very high	96.1	Very high	19 Å²	19	34.3 Å²	34.3	12%	0.123	18%	0.181	C	C	.	.			trans	-61.9	110.3	175.6	-20.2	29.2	0	0	0	111.5	F100 D102 L170 R171 W172 F196	F100-P194 HydrophobicContact CZ-CB 4.45Å; F100-P194 HydrophobicContact CZ-CG 3.97Å; D102-P194 VanDerWaalsContact O-CA 3.24Å; D102-P194 WeakPolarHBondContact O-CA 3.44Å; D102-P194 WeakPolarHBondContact O-CB 3.31Å; L170-P194 WeakPolarHBondContact O-CD 3.48Å; R171-P194 WeakPolarHBondContact CA-O 3.36Å; R171-P194 HydrophobicContact CB-CB 4.42Å; R171-P194 HydrophobicContact CG-CB 4.09Å; R171-P194 HydrophobicContact CG-CG 4.35Å; W172-P194 PolarHBondContact N-O 2.88Å; P194-F196 HydrophobicContact CB-CE2 4.06Å
195	I	98.2	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.5	179.1	-168.8	160.2	0	0	0	110.5	F103 C104 V105 V152 W172 A185 L188 A189 I193 A197	F103-I195 CarbonylContact C-O 3.57Å; F103-I195 VanDerWaalsContact CA-O 3.31Å; F103-I195 WeakPolarHBondContact CA-O 3.14Å; F103-I195 HydrophobicContact CB-CG2 4.35Å; F103-I195 VanDerWaalsContact CB-O 3.31Å; F103-I195 WeakPolarHBondContact CB-O 3.32Å; C104-I195 PolarHBondContact N-O 3.34Å; V105-I195 HydrophobicContact CG1-CG2 3.84Å; V152-I195 HydrophobicContact CG1-CD1 3.8Å; V152-I195 HydrophobicContact CG2-CD1 4.36Å; W172-I195 HydrophobicContact CB-CD1 4.49Å; W172-I195 HydrophobicContact CB-CG1 4.3Å; W172-I195 CarbonylContact O-C 3.54Å; W172-I195 WeakPolarHBondContact O-CA 3.48Å; A185-I195 HydrophobicContact CB-CD1 4.3Å; L188-I195 HydrophobicContact CB-CD1 4.19Å; L188-I195 HydrophobicContact CB-CG2 4.38Å; L188-I195 HydrophobicContact CD1-CD1 3.56Å; A189-I195 HydrophobicContact CB-CG2 4.04Å; I193-I195 PolarHBondContact O-N 3Å; I195-A197 HydrophobicContact CG1-CB 4.29Å
196	F	98.1	Very high	95.9	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	86	-177.6	-57.7	-90.5	0	0	0	107.2	D102 C104 R171 W172 C173 P194 W208 C209 R212	D102-F196 WeakPolarHBondContact OD1-CZ 3.22Å; C104-F196 HydrophobicContact CB-CD1 3.78Å; C104-F196 HydrophobicContact CB-CE1 4.43Å; C104-F196 WeakPolarHBondContact O-CA 3.28Å; R171-F196 VanDerWaalsContact NH2-CE2 3.33Å; R171-F196 VanDerWaalsContact NH2-CZ 3.29Å; W172-F196 PolarHBondContact O-N 3.02Å; C173-F196 WeakPolarHBondContact CA-O 3.36Å; C173-F196 WeakPolarHBondContact CB-O 3.48Å; P194-F196 HydrophobicContact CB-CE2 4.06Å; F196-W208 HydrophobicContact CD1-CH2 4.13Å; F196-W208 HydrophobicContact CD1-CZ3 4.02Å; F196-C209 HydrophobicContact CB-CB 3.88Å; F196-C209 WeakPolarHBondContact O-CB 3.38Å; F196-C209 PolarHBondContact O-SG 2.53Å; F196-C209 VanDerWaalsContact O-SG 3.4Å; F196-R212 HydrophobicContact CD1-CB 3.63Å; F196-R212 HydrophobicContact CD1-CG 3.89Å; F196-R212 HydrophobicContact CD2-CB 3.88Å; F196-R212 HydrophobicContact CE1-CB 3.73Å; F196-R212 HydrophobicContact CE1-CG 3.98Å; F196-R212 HydrophobicContact CE2-CB 3.99Å; F196-R212 HydrophobicContact CG-CB 3.72Å; F196-R212 HydrophobicContact CG-CG 4.42Å; F196-R212 HydrophobicContact CZ-CB 3.92Å
197	A	96.8	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-162	140.6	-174.5	0	0	0	0	0	111.6	C104 V152 A174 T180 I195 E201	C104-A197 PolarHBondContact O-N 2.9Å; V152-A197 HydrophobicContact CB-CB 4.37Å; V152-A197 HydrophobicContact CG2-CB 3.78Å; A174-A197 HydrophobicContact CB-CB 4.12Å; T180-A197 HydrophobicContact CG2-CB 3.91Å; I195-A197 HydrophobicContact CG1-CB 4.29Å; A197-E201 VanDerWaalsContact CA-OE1 3.28Å; A197-E201 WeakPolarHBondContact CA-OE1 3.34Å
198	W	96.5	Very high	95.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	21%	0.212	C	C	.	.			trans	-152.8	162.5	166	57	93.1	0	0	0	111.5	P89 R90 C104 R106 T180 D182 E201 D205 W208 C209	P89-W198 HydrophobicContact CB-CD2 3.9Å; P89-W198 HydrophobicContact CB-CE3 4.07Å; P89-W198 HydrophobicContact CB-CG 4.32Å; P89-W198 HydrophobicContact CB-CZ2 4.37Å; P89-W198 HydrophobicContact CB-CZ3 4.42Å; P89-W198 HydrophobicContact CG-CB 4.38Å; P89-W198 HydrophobicContact CG-CD2 3.7Å; P89-W198 HydrophobicContact CG-CE3 4.37Å; P89-W198 HydrophobicContact CG-CG 3.69Å; P89-W198 HydrophobicContact CG-CZ2 4.34Å; R90-W198 HydrophobicContact CB-CH2 4.31Å; C104-W198 HydrophobicContact CB-CZ3 4.07Å; C104-W198 WeakPolarHBondContact SG-CZ3 3.36Å; R106-W198 HydrophobicContact CB-CB 4.07Å; T180-W198 VanDerWaalsContact CB-C 3.41Å; T180-W198 PolarHBondContact OG1-O 2.81Å; D182-W198 WeakPolarHBondContact OD1-CA 3.47Å; D182-W198 WeakPolarHBondContact OD1-CB 3.04Å; W198-E201 HydrophobicContact CD2-CG 3.83Å; W198-E201 HydrophobicContact CE3-CG 4.45Å; W198-E201 HydrophobicContact CG-CG 4.06Å; W198-E201 HydrophobicContact CZ2-CG 4.06Å; W198-E201 PolarHBondContact N-OE1 2.99Å; W198-E201 WeakPolarHBondContact O-CG 3.38Å; W198-D205 HydrophobicContact CH2-CB 3.88Å; W198-D205 HydrophobicContact CZ2-CB 3.5Å; W198-W208 HydrophobicContact CH2-CZ3 4.44Å; W198-W208 HydrophobicContact CZ3-CZ3 4.44Å; W198-C209 VanDerWaalsContact CZ3-SG 3.56Å
199	E	93	Very high	95.8	Very high	101 Å²	101	42.1 Å²	42.1	47%	0.472	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	134.5	174.7	-164	-174.7	167	0	0	110.2	R106 T180 D182	R106-E199 PolarHBondContact NH2-O 3.1Å; T180-E199 WeakPolarHBondContact O-CB 3.4Å; D182-E199 PolarHBondContact OD1-N 2.81Å
200	G	89.4	Confident	95.8	Very high	38 Å²	38	42.1 Å²	42.1	39%	0.392	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	35.9	177	0	0	0	0	0	114.5	I177	I177-G200 WeakPolarHBondContact O-CA 3.36Å; I177-G200 PolarHBondContact O-N 3.37Å
201	E	91.5	Very high	95.8	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.023	20%	0.204	C	C	.	.			trans	-57.2	141.4	171.8	-75	164.5	-158.4	0	0	112	I177 A197 W198 D205	I177-E201 HydrophobicContact CB-CB 3.95Å; I177-E201 WeakPolarHBondContact CB-O 3.48Å; I177-E201 HydrophobicContact CG2-CB 3.86Å; I177-E201 PolarHBondContact O-N 2.6Å; A197-E201 VanDerWaalsContact CA-OE1 3.28Å; A197-E201 WeakPolarHBondContact CA-OE1 3.34Å; W198-E201 HydrophobicContact CD2-CG 3.83Å; W198-E201 HydrophobicContact CE3-CG 4.45Å; W198-E201 HydrophobicContact CG-CG 4.06Å; W198-E201 HydrophobicContact CZ2-CG 4.06Å; W198-E201 PolarHBondContact N-OE1 2.99Å; W198-E201 WeakPolarHBondContact O-CG 3.38Å; E201-D205 HydrophobicContact CB-CB 4.37Å
202	S	93.7	Very high	95.8	Very high	53 Å²	53	41.9 Å²	41.9	37%	0.371	21%	0.206	S	C	.	.			trans	-70.9	161.1	163.6	72.8	0	0	0	0	110.1	E204 D205 F206	S202-E204 PolarHBondContact O-N 2.92Å; S202-D205 PolarHBondContact O-N 3.38Å; S202-D205 WeakPolarHBondContact OG-CB 3.42Å; S202-D205 PolarHBondContact OG-N 3.16Å; S202-D205 VanDerWaalsContact OG-N 3.07Å; S202-D205 PolarHBondContact OG-OD2 3.3Å; S202-F206 PolarHBondContact O-N 3.13Å
203	E	91.2	Very high	95.8	Very high	151 Å²	151	39 Å²	39	71%	0.706	19%	0.191	S	C	*	.	H	α-helix	trans	-60.1	-35.3	175.2	-174.1	177.8	177.7	0	0	111.7	W207	E203-W207 PolarHBondContact O-N 3.39Å
204	E	95.4	Very high	95.8	Very high	132 Å²	132	38.7 Å²	38.7	62%	0.617	19%	0.19	S	C	*	.	H	α-helix	trans	-64.8	-46.3	175	-170.8	-172.1	150	0	0	111.4	R90 S202 F206 W207 W208	R90-E204 IonicContact NH1-OE1 2.71Å; R90-E204 PolarHBondContact NH1-OE1 3Å; S202-E204 PolarHBondContact O-N 2.92Å; E204-F206 VanDerWaalsContact C-N 3.33Å; E204-F206 PolarHBondContact O-N 3.19Å; E204-W207 PolarHBondContact O-N 3.35Å; E204-W208 WeakPolarHBondContact O-CB 3.27Å; E204-W208 PolarHBondContact O-N 3.33Å
205	D	96.5	Very high	95.6	Very high	14 Å²	14	42 Å²	42	8%	0.075	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-39.4	-179.9	-70	-42.3	0	0	0	112	S88 W198 E201 S202 W207 W208 C209	S88-D205 PolarHBondContact OG-OD1 3Å; S88-D205 PolarHBondContact OG-OD2 3.43Å; S88-D205 VanDerWaalsContact OG-OD2 3.1Å; W198-D205 HydrophobicContact CH2-CB 3.88Å; W198-D205 HydrophobicContact CZ2-CB 3.5Å; E201-D205 HydrophobicContact CB-CB 4.37Å; S202-D205 PolarHBondContact O-N 3.38Å; S202-D205 WeakPolarHBondContact OG-CB 3.42Å; S202-D205 PolarHBondContact OG-N 3.16Å; S202-D205 VanDerWaalsContact OG-N 3.07Å; S202-D205 PolarHBondContact OG-OD2 3.3Å; D205-W207 PolarHBondContact O-N 3.45Å; D205-W208 CarbonylContact O-C 3.51Å; D205-W208 WeakPolarHBondContact O-CB 3.44Å; D205-W208 PolarHBondContact O-N 3.05Å; D205-W208 VanDerWaalsContact O-N 3.14Å; D205-C209 PolarHBondContact O-N 3.28Å; D205-C209 PolarHBondContact O-SG 2.85Å
206	F	94.9	Very high	95.4	Very high	17 Å²	17	42.9 Å²	42.9	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-54.8	-52.4	175.6	175.2	-101.4	0	0	0	112	A174 I177 S202 E204 W208 C209 I210 D230	A174-F206 VanDerWaalsContact O-CE2 3.25Å; A174-F206 WeakPolarHBondContact O-CE2 3.44Å; I177-F206 HydrophobicContact CG2-CB 3.91Å; I177-F206 HydrophobicContact CG2-CD2 3.95Å; I177-F206 HydrophobicContact CG2-CG 4.12Å; S202-F206 PolarHBondContact O-N 3.13Å; E204-F206 VanDerWaalsContact C-N 3.33Å; E204-F206 PolarHBondContact O-N 3.19Å; F206-W208 VanDerWaalsContact C-N 3.3Å; F206-W208 PolarHBondContact O-N 3.01Å; F206-C209 PolarHBondContact O-N 2.99Å; F206-I210 HydrophobicContact CD1-CD1 4.3Å; F206-I210 HydrophobicContact CE1-CD1 3.71Å; F206-I210 HydrophobicContact CE2-CD1 4.43Å; F206-I210 HydrophobicContact CZ-CD1 3.79Å; F206-I210 PolarHBondContact O-N 3.37Å; F206-D230 HydrophobicContact CZ-CB 4.3Å
207	W	97.4	Very high	95	Very high	91 Å²	91	50.1 Å²	50.1	35%	0.345	25%	0.253	S	S	.	.	H	α-helix	trans	-66.8	-33.3	177.8	-68.3	116.2	0	0	0	112.3	E203 E204 D205 I210 D211 Y234	E203-W207 PolarHBondContact O-N 3.39Å; E204-W207 PolarHBondContact O-N 3.35Å; D205-W207 PolarHBondContact O-N 3.45Å; W207-I210 HydrophobicContact CE3-CD1 3.9Å; W207-I210 HydrophobicContact CZ3-CD1 3.94Å; W207-I210 PolarHBondContact O-N 2.91Å; W207-D211 PolarHBondContact O-N 3.21Å; W207-Y234 AromaticContact CE3-CD2 3.59Å; W207-Y234 HydrophobicContact CE3-CD2 3.59Å; W207-Y234 HydrophobicContact CE3-CE2 4.13Å; W207-Y234 HydrophobicContact CE3-CG 4.4Å; W207-Y234 AromaticContact CZ3-CD2 3.94Å; W207-Y234 HydrophobicContact CZ3-CD2 3.94Å
208	W	97.3	Very high	94.7	Very high	45 Å²	45	58.2 Å²	58.2	17%	0.17	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-40.5	174.6	178.7	92	0	0	0	112.2	R90 C104 F196 W198 E204 D205 F206 I210 D211 R212	R90-W208 HydrophobicContact CG-CD2 4.37Å; R90-W208 HydrophobicContact CG-CE3 4.47Å; R90-W208 HydrophobicContact CG-CH2 4.12Å; R90-W208 HydrophobicContact CG-CZ2 3.99Å; R90-W208 HydrophobicContact CG-CZ3 4.36Å; R90-W208 VanDerWaalsContact CZ-CD1 3.44Å; C104-W208 HydrophobicContact CB-CH2 3.96Å; C104-W208 HydrophobicContact CB-CZ3 3.85Å; F196-W208 HydrophobicContact CD1-CH2 4.13Å; F196-W208 HydrophobicContact CD1-CZ3 4.02Å; W198-W208 HydrophobicContact CH2-CZ3 4.44Å; W198-W208 HydrophobicContact CZ3-CZ3 4.44Å; E204-W208 WeakPolarHBondContact O-CB 3.27Å; E204-W208 PolarHBondContact O-N 3.33Å; D205-W208 CarbonylContact O-C 3.51Å; D205-W208 WeakPolarHBondContact O-CB 3.44Å; D205-W208 PolarHBondContact O-N 3.05Å; D205-W208 VanDerWaalsContact O-N 3.14Å; F206-W208 VanDerWaalsContact C-N 3.3Å; F206-W208 PolarHBondContact O-N 3.01Å; W208-I210 PolarHBondContact O-N 2.83Å; W208-D211 WeakPolarHBondContact O-CB 3.47Å; W208-D211 PolarHBondContact O-N 3.32Å; W208-R212 HydrophobicContact CD2-CG 3.94Å; W208-R212 HydrophobicContact CE3-CG 4.06Å; W208-R212 HydrophobicContact CH2-CG 3.82Å; W208-R212 HydrophobicContact CZ2-CG 3.69Å; W208-R212 HydrophobicContact CZ3-CG 4Å; W208-R212 WeakPolarHBondContact O-CG 3.29Å; W208-R212 PolarHBondContact O-N 3.35Å
209	C	97.9	Very high	94.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-43.3	176	-74	0	0	0	0	111.7	C173 F196 W198 D205 F206 R212 C213	C173-C209 HydrophobicContact CB-CB 4.03Å; F196-C209 HydrophobicContact CB-CB 3.88Å; F196-C209 WeakPolarHBondContact O-CB 3.38Å; F196-C209 PolarHBondContact O-SG 2.53Å; F196-C209 VanDerWaalsContact O-SG 3.4Å; W198-C209 VanDerWaalsContact CZ3-SG 3.56Å; D205-C209 PolarHBondContact O-N 3.28Å; D205-C209 PolarHBondContact O-SG 2.85Å; F206-C209 PolarHBondContact O-N 2.99Å; C209-R212 PolarHBondContact O-N 3.42Å; C209-C213 PolarHBondContact O-N 3.22Å; C209-C213 PolarHBondContact O-SG 2.93Å; C209-C213 VanDerWaalsContact O-SG 3.36Å
210	I	97.8	Very high	94.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-46.7	173.5	-64.7	173.6	0	0	0	110.2	F206 W207 W208 R212 C213 V214 D230 A231 Y234	F206-I210 HydrophobicContact CD1-CD1 4.3Å; F206-I210 HydrophobicContact CE1-CD1 3.71Å; F206-I210 HydrophobicContact CE2-CD1 4.43Å; F206-I210 HydrophobicContact CZ-CD1 3.79Å; F206-I210 PolarHBondContact O-N 3.37Å; W207-I210 HydrophobicContact CE3-CD1 3.9Å; W207-I210 HydrophobicContact CZ3-CD1 3.94Å; W207-I210 PolarHBondContact O-N 2.91Å; W208-I210 PolarHBondContact O-N 2.83Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 3.46Å; I210-C213 WeakPolarHBondContact O-CB 3.48Å; I210-C213 PolarHBondContact O-N 3.1Å; I210-V214 HydrophobicContact CG2-CG2 4.3Å; I210-V214 WeakPolarHBondContact O-CG2 3.34Å; I210-V214 PolarHBondContact O-N 2.75Å; I210-D230 HydrophobicContact CD1-CB 4.12Å; I210-A231 HydrophobicContact CG2-CB 4.39Å; I210-Y234 HydrophobicContact CG2-CD1 3.64Å; I210-Y234 HydrophobicContact CG2-CE1 4.31Å; I210-Y234 HydrophobicContact CG2-CG 3.83Å
211	D	97.6	Very high	95	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.134	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-40.4	178.5	-165.3	73.5	0	0	0	112.3	W207 W208 C213 V214 N215 Y234 Y239	W207-D211 PolarHBondContact O-N 3.21Å; W208-D211 WeakPolarHBondContact O-CB 3.47Å; W208-D211 PolarHBondContact O-N 3.32Å; D211-C213 VanDerWaalsContact C-N 3.27Å; D211-C213 PolarHBondContact O-N 3.36Å; D211-V214 PolarHBondContact O-N 3.43Å; D211-V214 VanDerWaalsContact O-N 3.15Å; D211-N215 PolarHBondContact O-N 3.5Å; D211-Y234 HydrophobicContact CB-CE1 3.99Å; D211-Y234 WeakPolarHBondContact CB-OH 3.48Å; D211-Y234 WeakPolarHBondContact OD1-CE1 3.39Å; D211-Y234 PolarHBondContact OD1-OH 2.72Å; D211-Y239 WeakPolarHBondContact OD1-CE2 3.49Å; D211-Y239 PolarHBondContact OD1-OH 3.02Å
212	R	96.6	Very high	95.3	Very high	105 Å²	105	62 Å²	62	40%	0.396	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-27.1	176.3	-69.8	-71.6	148	-174.4	-5.8	113.8	R171 F196 W208 C209 I210	R171-R212 PolarHBondContact NE-O 3.22Å; R171-R212 PolarHBondContact NH2-O 3.26Å; F196-R212 HydrophobicContact CD1-CB 3.63Å; F196-R212 HydrophobicContact CD1-CG 3.89Å; F196-R212 HydrophobicContact CD2-CB 3.88Å; F196-R212 HydrophobicContact CE1-CB 3.73Å; F196-R212 HydrophobicContact CE1-CG 3.98Å; F196-R212 HydrophobicContact CE2-CB 3.99Å; F196-R212 HydrophobicContact CG-CB 3.72Å; F196-R212 HydrophobicContact CG-CG 4.42Å; F196-R212 HydrophobicContact CZ-CB 3.92Å; W208-R212 HydrophobicContact CD2-CG 3.94Å; W208-R212 HydrophobicContact CE3-CG 4.06Å; W208-R212 HydrophobicContact CH2-CG 3.82Å; W208-R212 HydrophobicContact CZ2-CG 3.69Å; W208-R212 HydrophobicContact CZ3-CG 4Å; W208-R212 WeakPolarHBondContact O-CG 3.29Å; W208-R212 PolarHBondContact O-N 3.35Å; C209-R212 PolarHBondContact O-N 3.42Å; I210-R212 VanDerWaalsContact C-N 3.28Å; I210-R212 PolarHBondContact O-N 3.46Å
213	C	97.6	Very high	95.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-80	-31.9	173.8	-64.1	0	0	0	0	112.1	I147 R171 W172 C209 I210 D211 W219	I147-C213 WeakPolarHBondContact CG1-O 3.37Å; I147-C213 HydrophobicContact CG2-CB 4.02Å; R171-C213 HydrophobicContact CB-CB 4.04Å; R171-C213 WeakPolarHBondContact CD-O 3.46Å; W172-C213 PolarHBondContact O-SG 2.82Å; C209-C213 PolarHBondContact O-N 3.22Å; C209-C213 PolarHBondContact O-SG 2.93Å; C209-C213 VanDerWaalsContact O-SG 3.36Å; I210-C213 WeakPolarHBondContact O-CB 3.48Å; I210-C213 PolarHBondContact O-N 3.1Å; D211-C213 VanDerWaalsContact C-N 3.27Å; D211-C213 PolarHBondContact O-N 3.36Å; C213-W219 PolarHBondContact O-NE1 3.35Å
214	V	96.7	Very high	95.9	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.055	25%	0.254	C	S	.	.	H	α-helix	trans	-80.4	-46.9	-179.3	175.6	0	0	0	0	112.1	I147 I210 D211 Y234 M235 Y239	I147-V214 HydrophobicContact CD1-CB 4.41Å; I147-V214 HydrophobicContact CD1-CG2 3.97Å; I210-V214 HydrophobicContact CG2-CG2 4.3Å; I210-V214 WeakPolarHBondContact O-CG2 3.34Å; I210-V214 PolarHBondContact O-N 2.75Å; D211-V214 PolarHBondContact O-N 3.43Å; D211-V214 VanDerWaalsContact O-N 3.15Å; V214-Y234 HydrophobicContact CG2-CD1 4.31Å; V214-M235 HydrophobicContact CB-CG 4.29Å; V214-M235 HydrophobicContact CG1-CE 4.09Å; V214-M235 HydrophobicContact CG1-CG 3.75Å; V214-M235 HydrophobicContact CG1-SD 4.12Å; V214-M235 HydrophobicContact CG2-CG 3.45Å; V214-M235 VanDerWaalsContact CG2-CG 3.45Å; V214-M235 HydrophobicContact CG2-SD 3.89Å; V214-Y239 HydrophobicContact CG1-CD2 3.54Å; V214-Y239 HydrophobicContact CG1-CE2 3.86Å; V214-Y239 HydrophobicContact CG1-CG 3.94Å
215	N	94.4	Very high	96	Very high	87 Å²	87	46 Å²	46	47%	0.465	23%	0.225	S	C	.	.	S	Bend	trans	-118.7	91.4	-167.3	-175	25.6	0	0	0	110.7	D211 Y239	D211-N215 PolarHBondContact O-N 3.5Å; N215-Y239 HydrophobicContact CB-CE1 4.16Å; N215-Y239 PolarHBondContact ND2-OH 3.48Å
216	A	93.6	Very high	96	Very high	20 Å²	20	45.4 Å²	45.4	17%	0.165	22%	0.222	C	C	.	.			trans	-129.6	156.6	177.1	0	0	0	0	0	110.8	W219	A216-W219 HydrophobicContact CB-CB 3.81Å; A216-W219 HydrophobicContact CB-CG 4.22Å; A216-W219 WeakPolarHBondContact O-CB 3.31Å; A216-W219 PolarHBondContact O-N 3.25Å
217	N	89.9	Confident	96	Very high	158 Å²	158	46 Å²	46	85%	0.845	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	139.5	177.3	-66.1	-24.7	0	0	0	110.1	W219	N217-W219 PolarHBondContact O-N 2.99Å; N217-W219 VanDerWaalsContact O-N 3.09Å
218	D	88.8	Confident	95.7	Very high	169 Å²	169	42 Å²	42	90%	0.904	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	24.6	-179.4	-54.8	-46.2	0	0	0	114.6
219	W	94.7	Very high	95.5	Very high	28 Å²	28	40 Å²	40	11%	0.106	21%	0.207	C	C	.	.			trans	-116.6	126.4	-179.8	178.6	-108.5	0	0	0	111.1	Q145 I147 Q169 R171 C213 A216 N217 P221	Q145-W219 HydrophobicContact CB-CD2 4.46Å; Q145-W219 HydrophobicContact CB-CE3 4.03Å; Q145-W219 HydrophobicContact CB-CH2 3.55Å; Q145-W219 HydrophobicContact CB-CZ2 4Å; Q145-W219 HydrophobicContact CB-CZ3 3.56Å; Q145-W219 HydrophobicContact CG-CE3 3.99Å; Q145-W219 HydrophobicContact CG-CH2 4.18Å; Q145-W219 HydrophobicContact CG-CZ3 3.66Å; I147-W219 HydrophobicContact CG1-CZ2 4.17Å; Q169-W219 HydrophobicContact CB-CZ3 3.9Å; Q169-W219 WeakPolarHBondContact O-CH2 3.42Å; R171-W219 HydrophobicContact CB-CZ2 4.16Å; R171-W219 HydrophobicContact CG-CD2 4.1Å; R171-W219 HydrophobicContact CG-CE3 4.26Å; R171-W219 HydrophobicContact CG-CH2 3.84Å; R171-W219 HydrophobicContact CG-CZ2 3.67Å; R171-W219 HydrophobicContact CG-CZ3 4.14Å; C213-W219 PolarHBondContact O-NE1 3.35Å; A216-W219 HydrophobicContact CB-CB 3.81Å; A216-W219 HydrophobicContact CB-CG 4.22Å; A216-W219 WeakPolarHBondContact O-CB 3.31Å; A216-W219 PolarHBondContact O-N 3.25Å; N217-W219 PolarHBondContact O-N 2.99Å; N217-W219 VanDerWaalsContact O-N 3.09Å; W219-P221 HydrophobicContact CZ2-CB 4.39Å
220	Q	94.9	Very high	95.4	Very high	158 Å²	158	41.3 Å²	41.3	74%	0.738	21%	0.213	S	C	*	.			trans	-131.2	90.2	173.8	-70	-173	6.5	0	0	108.7	Q145 T222	Q145-Q220 PolarHBondContact OE1-O 3.21Å; Q220-T222 PolarHBondContact O-N 2.95Å
221	P	97.2	Very high	95.4	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.071	21%	0.213	C	C	.	.			trans	-55.9	143.9	-175.6	26.8	-35.2	0	0	0	110.4	I147 W219 M235 L246	I147-P221 HydrophobicContact CD1-CB 3.43Å; I147-P221 VanDerWaalsContact CD1-CB 3.43Å; I147-P221 HydrophobicContact CD1-CG 3.76Å; I147-P221 HydrophobicContact CG1-CB 3.82Å; W219-P221 HydrophobicContact CZ2-CB 4.39Å; P221-M235 HydrophobicContact CG-CE 3.91Å; P221-L246 VanDerWaalsContact C-CD2 3.48Å; P221-L246 HydrophobicContact CB-CD2 4Å; P221-L246 HydrophobicContact CG-CD2 4.15Å; P221-L246 WeakPolarHBondContact O-CD2 3.13Å
222	T	97.2	Very high	95.4	Very high	29 Å²	29	40.3 Å²	40.3	18%	0.178	21%	0.208	C	C	.	.			trans	-117.2	-23.8	-179.8	59.9	0	0	0	0	112	Q145 Q220 L246 K247	Q145-T222 HydrophobicContact CB-CG2 4.4Å; Q145-T222 PolarHBondContact N-OG1 2.7Å; Q145-T222 PolarHBondContact O-N 2.82Å; Q145-T222 PolarHBondContact O-OG1 3.11Å; Q220-T222 PolarHBondContact O-N 2.95Å; T222-L246 CarbonylContact O-C 3.02Å; T222-K247 WeakPolarHBondContact O-CB 3.19Å; T222-K247 PolarHBondContact O-N 3.22Å
223	L	98.1	Very high	95.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155	-178	-68	167	0	0	0	110	A144 Q145 I146 I147 K247 G248 L464 L467 H468	A144-L223 HydrophobicContact CB-CD1 4.28Å; Q145-L223 PolarHBondContact O-N 2.85Å; I146-L223 WeakPolarHBondContact CA-O 3.16Å; I146-L223 HydrophobicContact CD1-CD1 4.45Å; I146-L223 HydrophobicContact CG1-CB 4.24Å; I146-L223 HydrophobicContact CG1-CD1 4.38Å; I146-L223 HydrophobicContact CG2-CB 4.34Å; I147-L223 PolarHBondContact N-O 3.05Å; L223-K247 HydrophobicContact CD2-CB 3.84Å; L223-K247 HydrophobicContact CG-CB 4.48Å; L223-G248 WeakPolarHBondContact CA-O 3.47Å; L223-L464 HydrophobicContact CB-CD2 4.02Å; L223-L464 HydrophobicContact CD1-CD2 3.96Å; L223-L464 HydrophobicContact CG-CD2 4.41Å; L223-L467 HydrophobicContact CD2-CB 3.82Å; L223-L467 HydrophobicContact CD2-CD1 4.36Å; L223-H468 HydrophobicContact CD1-CB 4Å
224	I	98.3	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.3	169.8	-56.9	175.4	0	0	0	108.8	I147 D226 A231 M235 F243 L246 G248 V249 V250	I147-I224 HydrophobicContact CB-CG1 4.4Å; I147-I224 CarbonylContact O-C 3.58Å; I147-I224 WeakPolarHBondContact O-CA 3.37Å; I224-D226 HydrophobicContact CG2-CB 3.9Å; I224-A231 HydrophobicContact CG2-CB 4.19Å; I224-M235 HydrophobicContact CD1-CG 4.47Å; I224-M235 HydrophobicContact CD1-SD 3.56Å; I224-M235 VanDerWaalsContact CD1-SD 3.56Å; I224-M235 HydrophobicContact CG1-SD 4.2Å; I224-F243 HydrophobicContact CD1-CD2 4.37Å; I224-F243 HydrophobicContact CD1-CE2 4.15Å; I224-L246 HydrophobicContact CD1-CD1 3.56Å; I224-L246 HydrophobicContact CG1-CD1 3.82Å; I224-G248 PolarHBondContact N-O 3.28Å; I224-V249 HydrophobicContact CB-CG1 4.29Å; I224-V249 HydrophobicContact CB-CG2 4.23Å; I224-V249 HydrophobicContact CD1-CG2 4.17Å; I224-V249 CarbonylContact O-C 3.56Å; I224-V250 PolarHBondContact O-N 3.41Å
225	V	98.2	Very high	95.3	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.6	159.1	-176.5	0	0	0	0	107	I146 I147 G148 C149 T150 Q460 L464	I146-V225 HydrophobicContact CG2-CG2 3.86Å; I147-V225 PolarHBondContact O-N 3.32Å; G148-V225 WeakPolarHBondContact CA-O 3.31Å; C149-V225 PolarHBondContact N-O 2.91Å; T150-V225 HydrophobicContact CG2-CG1 4.07Å; V225-Q460 HydrophobicContact CG1-CG 4.31Å; V225-L464 HydrophobicContact CG2-CD1 3.36Å; V225-L464 HydrophobicContact CG2-CD2 3.61Å; V225-L464 HydrophobicContact CG2-CG 3.9Å
226	D	97.7	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.5	-170.4	-147.8	-17.2	0	0	0	111.1	I224 G229 D230 A231 T232 V250 E251 E252	I224-D226 HydrophobicContact CG2-CB 3.9Å; D226-G229 PolarHBondContact OD1-N 2.83Å; D226-G229 VanDerWaalsContact OD2-CA 3.26Å; D226-G229 WeakPolarHBondContact OD2-CA 3.31Å; D226-D230 PolarHBondContact OD1-N 3.13Å; D226-A231 PolarHBondContact OD2-N 3.18Å; D226-T232 WeakPolarHBondContact OD2-CB 3.48Å; D226-T232 PolarHBondContact OD2-N 3.05Å; D226-T232 PolarHBondContact OD2-OG1 3.21Å; D226-V250 PolarHBondContact N-O 3.24Å; D226-E251 WeakPolarHBondContact CB-OE2 3.39Å; D226-E251 WeakPolarHBondContact O-CA 3.34Å; D226-E252 PolarHBondContact O-N 3.31Å; D226-E252 VanDerWaalsContact O-N 3.11Å
227	D	94.7	Very high	95.4	Very high	30 Å²	30	39.2 Å²	39.2	16%	0.16	22%	0.217	C	C	.	.	S	Bend	trans	-126.6	99	171	-174.5	-3.9	0	0	0	108.3	C149 T150 H151 C175 E252 S253	C149-D227 PolarHBondContact O-N 3.08Å; T150-D227 HydrophobicContact CG2-CB 4.23Å; H151-D227 IonicContact CD2-OD2 3.58Å; H151-D227 PolarHBondContact CD2-OD2 3.16Å; H151-D227 IonicContact NE2-OD2 3.34Å; C175-D227 HydrophobicContact CB-CB 4.28Å; C175-D227 WeakPolarHBondContact CB-O 3.33Å; D227-E252 HydrophobicContact CB-CG 3.73Å; D227-E252 WeakPolarHBondContact CB-OE1 3.48Å; D227-S253 WeakPolarHBondContact OD1-CB 3.25Å
228	G	90	Very high	95.7	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	21%	0.205	C	C	.	.	S	Bend	trans	113.4	-18.8	-179.7	0	0	0	0	0	113.2	E251 S253 G256 R259	G228-E251 PolarHBondContact N-OE1 3.21Å; G228-S253 WeakPolarHBondContact CA-OG 3.36Å; G228-S253 PolarHBondContact N-OG 3.17Å; G228-G256 WeakPolarHBondContact O-CA 3.27Å; G228-G256 PolarHBondContact O-N 3.32Å; G228-R259 WeakPolarHBondContact O-CD 3.2Å; G228-R259 VanDerWaalsContact O-CZ 3.24Å; G228-R259 PolarHBondContact O-NE 3.43Å; G228-R259 PolarHBondContact O-NH1 3.42Å; G228-R259 VanDerWaalsContact O-NH1 3.11Å
229	G	93.8	Very high	96.1	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	17%	0.174	C	C	.	.	S	Bend	trans	78.5	22.8	179.7	0	0	0	0	0	113.3	D226 G233 E251 R259	D226-G229 PolarHBondContact OD1-N 2.83Å; D226-G229 VanDerWaalsContact OD2-CA 3.26Å; D226-G229 WeakPolarHBondContact OD2-CA 3.31Å; G229-G233 PolarHBondContact O-N 3.18Å; G229-E251 VanDerWaalsContact CA-OE2 3.3Å; G229-E251 WeakPolarHBondContact CA-OE2 3.37Å; G229-E251 PolarHBondContact N-OE2 3.08Å; G229-E251 VanDerWaalsContact N-OE2 3.1Å; G229-R259 PolarHBondContact O-NH1 3.45Å
230	D	95.9	Very high	96.1	Very high	27 Å²	27	35.4 Å²	35.4	14%	0.144	19%	0.192	C	C	.	.	H	α-helix	trans	-78.7	-44.6	-176.9	-72.8	-39.6	0	0	0	111.2	F206 I210 D226 T232 G233 Y234 R259	F206-D230 HydrophobicContact CZ-CB 4.3Å; I210-D230 HydrophobicContact CD1-CB 4.12Å; D226-D230 PolarHBondContact OD1-N 3.13Å; D230-T232 PolarHBondContact O-N 2.71Å; D230-G233 PolarHBondContact O-N 3.17Å; D230-Y234 WeakPolarHBondContact O-CB 3.32Å; D230-Y234 PolarHBondContact O-N 3.12Å; D230-R259 IonicContact OD1-CZ 2.89Å; D230-R259 IonicContact OD1-NH1 3.1Å; D230-R259 PolarHBondContact OD1-NH1 3.16Å; D230-R259 IonicContact OD1-NH2 3.73Å; D230-R259 PolarHBondContact OD1-NH2 2.76Å
231	A	97	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-42.2	174.9	0	0	0	0	0	111.6	I147 C149 I210 I224 D226 Y234 M235	I147-A231 HydrophobicContact CG2-CB 4.42Å; C149-A231 HydrophobicContact CB-CB 3.49Å; C149-A231 VanDerWaalsContact CB-CB 3.49Å; I210-A231 HydrophobicContact CG2-CB 4.39Å; I224-A231 HydrophobicContact CG2-CB 4.19Å; D226-A231 PolarHBondContact OD2-N 3.18Å; A231-Y234 PolarHBondContact O-N 3.39Å; A231-M235 WeakPolarHBondContact O-CB 3.46Å; A231-M235 WeakPolarHBondContact O-CG 3.34Å; A231-M235 PolarHBondContact O-N 3.27Å
232	T	97.2	Very high	96	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-49.6	174.9	-60.4	0	0	0	0	111.1	D226 D230 Y234 C236 F243 V249 L260	D226-T232 WeakPolarHBondContact OD2-CB 3.48Å; D226-T232 PolarHBondContact OD2-N 3.05Å; D226-T232 PolarHBondContact OD2-OG1 3.21Å; D230-T232 PolarHBondContact O-N 2.71Å; T232-Y234 VanDerWaalsContact C-N 3.35Å; T232-Y234 PolarHBondContact O-N 3.1Å; T232-C236 WeakPolarHBondContact O-CB 3.28Å; T232-C236 PolarHBondContact O-N 3.4Å; T232-F243 HydrophobicContact CG2-CE2 3.93Å; T232-F243 HydrophobicContact CG2-CZ 3.86Å; T232-V249 HydrophobicContact CG2-CG2 4.37Å; T232-V249 WeakPolarHBondContact OG1-CG1 3.39Å; T232-L260 HydrophobicContact CG2-CD2 3.94Å
233	G	95.9	Very high	95.9	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-40.9	178.2	0	0	0	0	0	112.7	G229 D230 T237	G229-G233 PolarHBondContact O-N 3.18Å; D230-G233 PolarHBondContact O-N 3.17Å; G233-T237 WeakPolarHBondContact O-CB 3.41Å; G233-T237 PolarHBondContact O-N 3.31Å; G233-T237 VanDerWaalsContact O-N 3.12Å; G233-T237 PolarHBondContact O-OG1 3.21Å
234	Y	96.7	Very high	95.8	Very high	38 Å²	38	35.8 Å²	35.8	15%	0.149	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-50.7	178.3	-170.6	-98.9	0	0	0	111.5	W207 I210 D211 V214 D230 A231 T232 T237 K238 Y239	W207-Y234 AromaticContact CE3-CD2 3.59Å; W207-Y234 HydrophobicContact CE3-CD2 3.59Å; W207-Y234 HydrophobicContact CE3-CE2 4.13Å; W207-Y234 HydrophobicContact CE3-CG 4.4Å; W207-Y234 AromaticContact CZ3-CD2 3.94Å; W207-Y234 HydrophobicContact CZ3-CD2 3.94Å; I210-Y234 HydrophobicContact CG2-CD1 3.64Å; I210-Y234 HydrophobicContact CG2-CE1 4.31Å; I210-Y234 HydrophobicContact CG2-CG 3.83Å; D211-Y234 HydrophobicContact CB-CE1 3.99Å; D211-Y234 WeakPolarHBondContact CB-OH 3.48Å; D211-Y234 WeakPolarHBondContact OD1-CE1 3.39Å; D211-Y234 PolarHBondContact OD1-OH 2.72Å; V214-Y234 HydrophobicContact CG2-CD1 4.31Å; D230-Y234 WeakPolarHBondContact O-CB 3.32Å; D230-Y234 PolarHBondContact O-N 3.12Å; A231-Y234 PolarHBondContact O-N 3.39Å; T232-Y234 VanDerWaalsContact C-N 3.35Å; T232-Y234 PolarHBondContact O-N 3.1Å; Y234-T237 PolarHBondContact O-N 3.28Å; Y234-K238 HydrophobicContact CD2-CG 4.2Å; Y234-K238 HydrophobicContact CE1-CB 4.42Å; Y234-K238 HydrophobicContact CE1-CG 4.37Å; Y234-K238 HydrophobicContact CE2-CG 3.9Å; Y234-K238 WeakPolarHBondContact O-CB 3.41Å; Y234-K238 PolarHBondContact O-N 3.16Å; Y234-Y239 HydrophobicContact CD1-CE2 4.44Å; Y234-Y239 HydrophobicContact CE1-CD2 4.29Å; Y234-Y239 AromaticContact CE1-CE2 3.75Å; Y234-Y239 HydrophobicContact CE1-CE2 3.75Å
235	M	96.7	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-43.8	177.1	-74.3	-165.9	68	0	0	112.5	I147 V214 P221 I224 A231 T237 Y239 A242 F243 L246	I147-M235 HydrophobicContact CD1-CE 4.43Å; I147-M235 HydrophobicContact CD1-SD 3.56Å; I147-M235 VanDerWaalsContact CD1-SD 3.56Å; V214-M235 HydrophobicContact CB-CG 4.29Å; V214-M235 HydrophobicContact CG1-CE 4.09Å; V214-M235 HydrophobicContact CG1-CG 3.75Å; V214-M235 HydrophobicContact CG1-SD 4.12Å; V214-M235 HydrophobicContact CG2-CG 3.45Å; V214-M235 VanDerWaalsContact CG2-CG 3.45Å; V214-M235 HydrophobicContact CG2-SD 3.89Å; P221-M235 HydrophobicContact CG-CE 3.91Å; I224-M235 HydrophobicContact CD1-CG 4.47Å; I224-M235 HydrophobicContact CD1-SD 3.56Å; I224-M235 VanDerWaalsContact CD1-SD 3.56Å; I224-M235 HydrophobicContact CG1-SD 4.2Å; A231-M235 WeakPolarHBondContact O-CB 3.46Å; A231-M235 WeakPolarHBondContact O-CG 3.34Å; A231-M235 PolarHBondContact O-N 3.27Å; M235-T237 PolarHBondContact O-N 3.02Å; M235-Y239 CarbonylContact O-C 3.6Å; M235-Y239 WeakPolarHBondContact O-CA 3.38Å; M235-Y239 PolarHBondContact O-N 3.37Å; M235-A242 HydrophobicContact CE-CB 4.36Å; M235-F243 HydrophobicContact CB-CB 4.14Å; M235-F243 HydrophobicContact CB-CD2 3.68Å; M235-F243 HydrophobicContact CB-CG 4.22Å; M235-L246 HydrophobicContact CE-CD1 4.1Å; M235-L246 HydrophobicContact CE-CD2 4.2Å; M235-L246 HydrophobicContact CE-CG 4.44Å; M235-L246 HydrophobicContact SD-CD1 4.31Å
236	C	94.6	Very high	95.4	Very high	26 Å²	26	40.2 Å²	40.2	18%	0.176	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-33.5	177.6	-174.1	0	0	0	0	112	T232 F243	T232-C236 WeakPolarHBondContact O-CB 3.28Å; T232-C236 PolarHBondContact O-N 3.4Å; C236-F243 HydrophobicContact CB-CD1 4.02Å; C236-F243 HydrophobicContact CB-CE1 4.03Å; C236-F243 HydrophobicContact CB-CG 4.42Å; C236-F243 HydrophobicContact CB-CZ 4.41Å
237	T	95.3	Very high	95.3	Very high	107 Å²	107	44.5 Å²	44.5	66%	0.656	27%	0.265	S	S	*	.	H	α-helix	trans	-89.9	-47.1	-176.8	-52.6	0	0	0	0	112.9	G233 Y234 M235	G233-T237 WeakPolarHBondContact O-CB 3.41Å; G233-T237 PolarHBondContact O-N 3.31Å; G233-T237 VanDerWaalsContact O-N 3.12Å; G233-T237 PolarHBondContact O-OG1 3.21Å; Y234-T237 PolarHBondContact O-N 3.28Å; M235-T237 PolarHBondContact O-N 3.02Å
238	K	96.7	Very high	95.4	Very high	137 Å²	137	43 Å²	43	60%	0.596	26%	0.258	S	S	*	.	H	α-helix	trans	-93.1	-30.3	-171	-64.6	-69.9	-171.7	171.5	0	113.4	Y234 P240	Y234-K238 HydrophobicContact CD2-CG 4.2Å; Y234-K238 HydrophobicContact CE1-CB 4.42Å; Y234-K238 HydrophobicContact CE1-CG 4.37Å; Y234-K238 HydrophobicContact CE2-CG 3.9Å; Y234-K238 WeakPolarHBondContact O-CB 3.41Å; Y234-K238 PolarHBondContact O-N 3.16Å; K238-P240 VanDerWaalsContact C-CD 3.44Å
239	Y	96.6	Very high	95.8	Very high	62 Å²	62	42.7 Å²	42.7	24%	0.243	25%	0.254	C	S	.	.			trans	-131.2	53.3	-174.7	-58.8	-84.4	0	0	0	112	D211 V214 N215 Y234 M235 V241 A242 F243	D211-Y239 WeakPolarHBondContact OD1-CE2 3.49Å; D211-Y239 PolarHBondContact OD1-OH 3.02Å; V214-Y239 HydrophobicContact CG1-CD2 3.54Å; V214-Y239 HydrophobicContact CG1-CE2 3.86Å; V214-Y239 HydrophobicContact CG1-CG 3.94Å; N215-Y239 HydrophobicContact CB-CE1 4.16Å; N215-Y239 PolarHBondContact ND2-OH 3.48Å; Y234-Y239 HydrophobicContact CD1-CE2 4.44Å; Y234-Y239 HydrophobicContact CE1-CD2 4.29Å; Y234-Y239 AromaticContact CE1-CE2 3.75Å; Y234-Y239 HydrophobicContact CE1-CE2 3.75Å; M235-Y239 CarbonylContact O-C 3.6Å; M235-Y239 WeakPolarHBondContact O-CA 3.38Å; M235-Y239 PolarHBondContact O-N 3.37Å; Y239-V241 PolarHBondContact O-N 2.9Å; Y239-V241 VanDerWaalsContact O-N 3.12Å; Y239-A242 PolarHBondContact O-N 3.24Å; Y239-A242 VanDerWaalsContact O-N 3.1Å; Y239-F243 WeakPolarHBondContact O-CB 3.43Å; Y239-F243 PolarHBondContact O-N 3.43Å
240	P	95.4	Very high	96	Very high	75 Å²	75	42.5 Å²	42.5	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-59.5	-31.7	-170.6	23.8	-35.3	0	0	0	113.8	K238 G244	K238-P240 VanDerWaalsContact C-CD 3.44Å; P240-G244 PolarHBondContact O-N 3.12Å
241	V	94.6	Very high	96.1	Very high	128 Å²	128	41.2 Å²	41.2	78%	0.776	25%	0.245	S	C	*	.	H	α-helix	trans	-67.9	-48.3	177.2	-179.8	0	0	0	0	111	Y239 G244 S245	Y239-V241 PolarHBondContact O-N 2.9Å; Y239-V241 VanDerWaalsContact O-N 3.12Å; V241-G244 PolarHBondContact O-N 3.36Å; V241-S245 PolarHBondContact O-N 2.86Å
242	A	94.7	Very high	95.9	Very high	35 Å²	35	42.3 Å²	42.3	29%	0.289	25%	0.25	S	S	.	.	H	α-helix	trans	-67.2	-39	177.8	0	0	0	0	0	111.4	M235 Y239 G244 S245	M235-A242 HydrophobicContact CE-CB 4.36Å; Y239-A242 PolarHBondContact O-N 3.24Å; Y239-A242 VanDerWaalsContact O-N 3.1Å; A242-G244 VanDerWaalsContact C-N 3.33Å; A242-G244 PolarHBondContact O-N 3.21Å; A242-S245 PolarHBondContact O-N 3.38Å; A242-S245 VanDerWaalsContact O-N 3.12Å; A242-S245 PolarHBondContact O-OG 2.69Å
243	F	96.2	Very high	95.6	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-44.4	173.6	-172.5	-111.6	0	0	0	111.4	I224 T232 M235 C236 Y239 S245 L246 V249 L269 S270 V271	I224-F243 HydrophobicContact CD1-CD2 4.37Å; I224-F243 HydrophobicContact CD1-CE2 4.15Å; T232-F243 HydrophobicContact CG2-CE2 3.93Å; T232-F243 HydrophobicContact CG2-CZ 3.86Å; M235-F243 HydrophobicContact CB-CB 4.14Å; M235-F243 HydrophobicContact CB-CD2 3.68Å; M235-F243 HydrophobicContact CB-CG 4.22Å; C236-F243 HydrophobicContact CB-CD1 4.02Å; C236-F243 HydrophobicContact CB-CE1 4.03Å; C236-F243 HydrophobicContact CB-CG 4.42Å; C236-F243 HydrophobicContact CB-CZ 4.41Å; Y239-F243 WeakPolarHBondContact O-CB 3.43Å; Y239-F243 PolarHBondContact O-N 3.43Å; F243-S245 PolarHBondContact O-N 3.31Å; F243-S245 VanDerWaalsContact O-N 3.13Å; F243-L246 HydrophobicContact CD2-CD1 3.51Å; F243-L246 HydrophobicContact CE2-CD1 3.86Å; F243-L246 HydrophobicContact CG-CD1 4.39Å; F243-L246 VanDerWaalsContact O-CG 3.31Å; F243-L246 WeakPolarHBondContact O-CG 3.32Å; F243-L246 PolarHBondContact O-N 2.75Å; F243-L246 VanDerWaalsContact O-N 3.15Å; F243-V249 HydrophobicContact CE2-CG2 4.15Å; F243-V249 HydrophobicContact CZ-CG2 4.45Å; F243-L269 HydrophobicContact CE1-CD1 4.48Å; F243-L269 HydrophobicContact CZ-CD1 4.32Å; F243-S270 WeakPolarHBondContact CD1-OG 3.47Å; F243-S270 WeakPolarHBondContact CE1-OG 3.38Å; F243-V271 HydrophobicContact CE1-CG2 3.89Å; F243-V271 HydrophobicContact CE2-CG2 3.97Å; F243-V271 HydrophobicContact CZ-CG2 3.52Å; F243-V271 WeakPolarHBondContact O-CG1 3.46Å
244	G	94.8	Very high	95.1	Very high	42 Å²	42	43.5 Å²	43.5	43%	0.433	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.6	177	0	0	0	0	0	115.7	P240 V241 A242	P240-G244 PolarHBondContact O-N 3.12Å; V241-G244 PolarHBondContact O-N 3.36Å; A242-G244 VanDerWaalsContact C-N 3.33Å; A242-G244 PolarHBondContact O-N 3.21Å
245	S	93.4	Very high	94.6	Very high	85 Å²	85	44.4 Å²	44.4	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-4.3	174.8	53.8	0	0	0	0	114.7	V241 A242 F243	V241-S245 PolarHBondContact O-N 2.86Å; A242-S245 PolarHBondContact O-N 3.38Å; A242-S245 VanDerWaalsContact O-N 3.12Å; A242-S245 PolarHBondContact O-OG 2.69Å; F243-S245 PolarHBondContact O-N 3.31Å; F243-S245 VanDerWaalsContact O-N 3.13Å
246	L	95.8	Very high	94.3	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.052	26%	0.262	C	S	.	.			trans	-67.2	148.1	178.2	-53	173	0	0	0	110.9	P221 T222 I224 M235 F243 G248 V271	P221-L246 VanDerWaalsContact C-CD2 3.48Å; P221-L246 HydrophobicContact CB-CD2 4Å; P221-L246 HydrophobicContact CG-CD2 4.15Å; P221-L246 WeakPolarHBondContact O-CD2 3.13Å; T222-L246 CarbonylContact O-C 3.02Å; I224-L246 HydrophobicContact CD1-CD1 3.56Å; I224-L246 HydrophobicContact CG1-CD1 3.82Å; M235-L246 HydrophobicContact CE-CD1 4.1Å; M235-L246 HydrophobicContact CE-CD2 4.2Å; M235-L246 HydrophobicContact CE-CG 4.44Å; M235-L246 HydrophobicContact SD-CD1 4.31Å; F243-L246 HydrophobicContact CD2-CD1 3.51Å; F243-L246 HydrophobicContact CE2-CD1 3.86Å; F243-L246 HydrophobicContact CG-CD1 4.39Å; F243-L246 VanDerWaalsContact O-CG 3.31Å; F243-L246 WeakPolarHBondContact O-CG 3.32Å; F243-L246 PolarHBondContact O-N 2.75Å; F243-L246 VanDerWaalsContact O-N 3.15Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-V271 HydrophobicContact CB-CG1 4.06Å; L246-V271 WeakPolarHBondContact O-CG1 3.48Å
247	K	95.7	Very high	94.3	Very high	89 Å²	89	43.5 Å²	43.5	39%	0.387	26%	0.256	S	S	.	.	S	Bend	trans	-73.2	-24.5	169.3	-67.3	-172.3	176.5	-175.5	0	112.5	T222 L223 P272 H468	T222-K247 WeakPolarHBondContact O-CB 3.19Å; T222-K247 PolarHBondContact O-N 3.22Å; L223-K247 HydrophobicContact CD2-CB 3.84Å; L223-K247 HydrophobicContact CG-CB 4.48Å; K247-P272 WeakPolarHBondContact O-CG 3.5Å; K247-H468 PolarHBondContact NZ-CE1 2.93Å; K247-H468 VanDerWaalsContact NZ-CE1 3.28Å; K247-H468 PolarHBondContact NZ-ND1 2.95Å; K247-H468 PolarHBondContact NZ-O 3.31Å
248	G	96.8	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	178.3	172.7	0	0	0	0	0	115.1	L223 I224 L246 P272	L223-G248 WeakPolarHBondContact CA-O 3.47Å; I224-G248 PolarHBondContact N-O 3.28Å; L246-G248 VanDerWaalsContact C-N 3.31Å; G248-P272 CarbonylContact C-O 3.05Å; G248-P272 WeakPolarHBondContact CA-O 3.33Å
249	V	97.9	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140	179.7	178.5	0	0	0	0	109.4	I224 T232 F243 V271 P272 A273 M274	I224-V249 HydrophobicContact CB-CG1 4.29Å; I224-V249 HydrophobicContact CB-CG2 4.23Å; I224-V249 HydrophobicContact CD1-CG2 4.17Å; I224-V249 CarbonylContact O-C 3.56Å; T232-V249 HydrophobicContact CG2-CG2 4.37Å; T232-V249 WeakPolarHBondContact OG1-CG1 3.39Å; F243-V249 HydrophobicContact CE2-CG2 4.15Å; F243-V249 HydrophobicContact CZ-CG2 4.45Å; V249-V271 HydrophobicContact CG2-CG2 4Å; V249-P272 PolarHBondContact N-O 2.74Å; V249-A273 HydrophobicContact CB-CB 4.15Å; V249-A273 CarbonylContact O-C 3.54Å; V249-A273 VanDerWaalsContact O-CA 3.3Å; V249-A273 WeakPolarHBondContact O-CA 3.23Å; V249-M274 PolarHBondContact O-N 3.2Å
250	V	98.3	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.3	169	178.5	0	0	0	0	108	I224 D226 M274 I276 Q460 A463 L464 L467	I224-V250 PolarHBondContact O-N 3.41Å; D226-V250 PolarHBondContact N-O 3.24Å; V250-M274 HydrophobicContact CG2-CB 4.36Å; V250-I276 HydrophobicContact CG1-CD1 3.87Å; V250-I276 HydrophobicContact CG1-CG1 3.98Å; V250-I276 HydrophobicContact CG1-CG2 3.78Å; V250-Q460 HydrophobicContact CG1-CG 4.35Å; V250-A463 HydrophobicContact CG1-CB 3.93Å; V250-A463 HydrophobicContact CG2-CB 3.76Å; V250-L464 HydrophobicContact CB-CD2 4.43Å; V250-L464 HydrophobicContact CG2-CD2 3.77Å; V250-L464 HydrophobicContact CG2-CG 3.97Å; V250-L467 HydrophobicContact CG2-CD1 3.66Å
251	E	97.4	Very high	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.4	-175.9	173	65.6	-133	0	0	111.7	D226 G228 G229 S253 G256 V257 L260 M274 I276	D226-E251 WeakPolarHBondContact CB-OE2 3.39Å; D226-E251 WeakPolarHBondContact O-CA 3.34Å; G228-E251 PolarHBondContact N-OE1 3.21Å; G229-E251 VanDerWaalsContact CA-OE2 3.3Å; G229-E251 WeakPolarHBondContact CA-OE2 3.37Å; G229-E251 PolarHBondContact N-OE2 3.08Å; G229-E251 VanDerWaalsContact N-OE2 3.1Å; E251-S253 WeakPolarHBondContact OE1-CA 3.32Å; E251-S253 WeakPolarHBondContact OE1-CB 3.49Å; E251-S253 PolarHBondContact OE1-N 3.49Å; E251-S253 PolarHBondContact OE1-OG 3.38Å; E251-G256 VanDerWaalsContact CD-CA 3.43Å; E251-G256 WeakPolarHBondContact OE1-CA 3.38Å; E251-G256 WeakPolarHBondContact OE2-CA 3.45Å; E251-V257 HydrophobicContact CB-CG2 4.35Å; E251-V257 HydrophobicContact CG-CG2 3.74Å; E251-L260 HydrophobicContact CB-CD1 3.54Å; E251-L260 HydrophobicContact CG-CD1 3.94Å; E251-M274 PolarHBondContact N-O 3.47Å; E251-I276 WeakPolarHBondContact O-CG1 3.49Å; E251-I276 PolarHBondContact O-N 2.82Å; E251-I276 VanDerWaalsContact O-N 3.12Å
252	E	93.8	Very high	93.9	Very high	22 Å²	22	41.2 Å²	41.2	10%	0.103	22%	0.217	C	C	.	.			trans	-100.3	-17.8	-175.8	78.1	175.6	122.3	0	0	115.9	D226 D227 I276 C277 K282 T456 Q460	D226-E252 PolarHBondContact O-N 3.31Å; D226-E252 VanDerWaalsContact O-N 3.11Å; D227-E252 HydrophobicContact CB-CG 3.73Å; D227-E252 WeakPolarHBondContact CB-OE1 3.48Å; E252-I276 HydrophobicContact CB-CD1 3.8Å; E252-I276 HydrophobicContact CB-CG1 4.03Å; E252-C277 VanDerWaalsContact O-CB 3.26Å; E252-C277 WeakPolarHBondContact O-CB 3.22Å; E252-K282 VanDerWaalsContact O-CE 3.31Å; E252-K282 WeakPolarHBondContact O-CE 3.26Å; E252-K282 PolarHBondContact O-NZ 3.43Å; E252-T456 WeakPolarHBondContact OE2-CG2 3.49Å; E252-Q460 PolarHBondContact OE1-NE2 3.46Å; E252-Q460 PolarHBondContact OE2-NE2 3.18Å
253	S	90.1	Very high	93.9	Very high	10 Å²	10	40.9 Å²	40.9	7%	0.07	21%	0.211	C	C	.	.	S	Bend	trans	-101	152.8	-174.1	86.6	0	0	0	0	112.1	D227 G228 E251 S255 G256 V257	D227-S253 WeakPolarHBondContact OD1-CB 3.25Å; G228-S253 WeakPolarHBondContact CA-OG 3.36Å; G228-S253 PolarHBondContact N-OG 3.17Å; E251-S253 WeakPolarHBondContact OE1-CA 3.32Å; E251-S253 WeakPolarHBondContact OE1-CB 3.49Å; E251-S253 PolarHBondContact OE1-N 3.49Å; E251-S253 PolarHBondContact OE1-OG 3.38Å; S253-S255 VanDerWaalsContact C-N 3.35Å; S253-S255 PolarHBondContact OG-OG 2.83Å; S253-S255 VanDerWaalsContact OG-OG 3.11Å; S253-G256 PolarHBondContact O-N 3.21Å; S253-G256 PolarHBondContact OG-N 3.38Å; S253-V257 WeakPolarHBondContact O-CB 3.39Å; S253-V257 VanDerWaalsContact O-CG2 3.24Å; S253-V257 WeakPolarHBondContact O-CG2 3.43Å; S253-V257 PolarHBondContact O-N 2.93Å
254	I	86.6	Confident	93.8	Very high	46 Å²	46	41.7 Å²	41.7	24%	0.236	22%	0.217	C	C	.	.	H	α-helix	trans	-68.7	-38.8	175.2	-69.4	167.4	0	0	0	111.2	G256 V257 Q258 C277 R397	I254-G256 VanDerWaalsContact C-N 3.34Å; I254-V257 PolarHBondContact O-N 3.33Å; I254-Q258 HydrophobicContact CG2-CG 4.26Å; I254-Q258 WeakPolarHBondContact O-CB 3.49Å; I254-Q258 VanDerWaalsContact O-CG 3.23Å; I254-Q258 WeakPolarHBondContact O-CG 3.49Å; I254-Q258 PolarHBondContact O-N 2.96Å; I254-C277 WeakPolarHBondContact CG1-SG 3.39Å; I254-R397 VanDerWaalsContact CD1-CD 3.48Å; I254-R397 VanDerWaalsContact CD1-NE 3.32Å
255	S	84.9	Confident	93.7	Very high	58 Å²	58	48.1 Å²	48.1	41%	0.406	23%	0.233	S	C	.	.	H	α-helix	trans	-58.6	-47.2	177	27.6	0	0	0	0	111.3	S253 Q258 R259	S253-S255 VanDerWaalsContact C-N 3.35Å; S253-S255 PolarHBondContact OG-OG 2.83Å; S253-S255 VanDerWaalsContact OG-OG 3.11Å; S255-Q258 PolarHBondContact O-N 2.88Å; S255-R259 VanDerWaalsContact O-CG 3.31Å; S255-R259 WeakPolarHBondContact O-CG 3.3Å; S255-R259 PolarHBondContact O-N 3.03Å
256	G	91.8	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-40.8	178.3	0	0	0	0	0	112.1	G228 E251 S253 I254 Q258 R259 L260	G228-G256 WeakPolarHBondContact O-CA 3.27Å; G228-G256 PolarHBondContact O-N 3.32Å; E251-G256 VanDerWaalsContact CD-CA 3.43Å; E251-G256 WeakPolarHBondContact OE1-CA 3.38Å; E251-G256 WeakPolarHBondContact OE2-CA 3.45Å; S253-G256 PolarHBondContact O-N 3.21Å; S253-G256 PolarHBondContact OG-N 3.38Å; I254-G256 VanDerWaalsContact C-N 3.34Å; G256-Q258 VanDerWaalsContact C-N 3.31Å; G256-Q258 PolarHBondContact O-N 2.85Å; G256-R259 CarbonylContact O-C 3.57Å; G256-R259 WeakPolarHBondContact O-CB 3.15Å; G256-R259 PolarHBondContact O-N 3.34Å; G256-R259 VanDerWaalsContact O-N 3.09Å; G256-L260 WeakPolarHBondContact O-CG 3.47Å; G256-L260 PolarHBondContact O-N 2.75Å
257	V	93.3	Very high	93.5	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-41.5	173.7	167.8	0	0	0	0	111.4	E251 S253 I254 R259 L260 Y261 N275 C277	E251-V257 HydrophobicContact CB-CG2 4.35Å; E251-V257 HydrophobicContact CG-CG2 3.74Å; S253-V257 WeakPolarHBondContact O-CB 3.39Å; S253-V257 VanDerWaalsContact O-CG2 3.24Å; S253-V257 WeakPolarHBondContact O-CG2 3.43Å; S253-V257 PolarHBondContact O-N 2.93Å; I254-V257 PolarHBondContact O-N 3.33Å; V257-R259 VanDerWaalsContact C-N 3.34Å; V257-R259 PolarHBondContact O-N 3.46Å; V257-L260 WeakPolarHBondContact O-CB 3.14Å; V257-L260 PolarHBondContact O-N 3.43Å; V257-Y261 HydrophobicContact CG1-CD2 3.57Å; V257-Y261 HydrophobicContact CG1-CE2 3.28Å; V257-Y261 VanDerWaalsContact O-CD2 3.26Å; V257-Y261 WeakPolarHBondContact O-CD2 3.36Å; V257-Y261 PolarHBondContact O-N 3.27Å; V257-N275 HydrophobicContact CG1-CB 4.42Å; V257-N275 WeakPolarHBondContact CG1-ND2 3.38Å; V257-N275 HydrophobicContact CG2-CB 4.02Å; V257-N275 WeakPolarHBondContact CG2-OD1 3.44Å; V257-C277 HydrophobicContact CG2-CB 4Å
258	Q	91.7	Very high	93.3	Very high	128 Å²	128	55.9 Å²	55.9	60%	0.598	27%	0.27	S	S	*	.	H	α-helix	trans	-63.3	-39.8	175.2	-75.8	175.5	-4.5	0	0	112.2	I254 S255 G256 K262	I254-Q258 HydrophobicContact CG2-CG 4.26Å; I254-Q258 WeakPolarHBondContact O-CB 3.49Å; I254-Q258 VanDerWaalsContact O-CG 3.23Å; I254-Q258 WeakPolarHBondContact O-CG 3.49Å; I254-Q258 PolarHBondContact O-N 2.96Å; S255-Q258 PolarHBondContact O-N 2.88Å; G256-Q258 VanDerWaalsContact C-N 3.31Å; G256-Q258 PolarHBondContact O-N 2.85Å; Q258-K262 WeakPolarHBondContact O-CB 3.14Å; Q258-K262 PolarHBondContact O-N 2.69Å
259	R	93.6	Very high	93.1	Very high	111 Å²	111	56.2 Å²	56.2	42%	0.419	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-43	174	-69.1	169.9	-176.7	-167	5.7	111.1	G228 G229 D230 S255 G256 V257 K262 L263	G228-R259 WeakPolarHBondContact O-CD 3.2Å; G228-R259 VanDerWaalsContact O-CZ 3.24Å; G228-R259 PolarHBondContact O-NE 3.43Å; G228-R259 PolarHBondContact O-NH1 3.42Å; G228-R259 VanDerWaalsContact O-NH1 3.11Å; G229-R259 PolarHBondContact O-NH1 3.45Å; D230-R259 IonicContact OD1-CZ 2.89Å; D230-R259 IonicContact OD1-NH1 3.1Å; D230-R259 PolarHBondContact OD1-NH1 3.16Å; D230-R259 IonicContact OD1-NH2 3.73Å; D230-R259 PolarHBondContact OD1-NH2 2.76Å; S255-R259 VanDerWaalsContact O-CG 3.31Å; S255-R259 WeakPolarHBondContact O-CG 3.3Å; S255-R259 PolarHBondContact O-N 3.03Å; G256-R259 CarbonylContact O-C 3.57Å; G256-R259 WeakPolarHBondContact O-CB 3.15Å; G256-R259 PolarHBondContact O-N 3.34Å; G256-R259 VanDerWaalsContact O-N 3.09Å; V257-R259 VanDerWaalsContact C-N 3.34Å; V257-R259 PolarHBondContact O-N 3.46Å; R259-K262 WeakPolarHBondContact O-CB 3.46Å; R259-K262 PolarHBondContact O-N 2.96Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 2.79Å
260	L	96.3	Very high	92.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-47.7	175.1	-74.1	172.4	0	0	0	112	T232 E251 G256 V257 K262 L263 S264 L269 A273 V479	T232-L260 HydrophobicContact CG2-CD2 3.94Å; E251-L260 HydrophobicContact CB-CD1 3.54Å; E251-L260 HydrophobicContact CG-CD1 3.94Å; G256-L260 WeakPolarHBondContact O-CG 3.47Å; G256-L260 PolarHBondContact O-N 2.75Å; V257-L260 WeakPolarHBondContact O-CB 3.14Å; V257-L260 PolarHBondContact O-N 3.43Å; L260-K262 VanDerWaalsContact C-N 3.26Å; L260-K262 PolarHBondContact O-N 3.11Å; L260-L263 PolarHBondContact O-N 3.11Å; L260-S264 WeakPolarHBondContact O-CB 3.46Å; L260-S264 PolarHBondContact O-N 3.36Å; L260-L269 HydrophobicContact CD2-CD1 3.97Å; L260-A273 HydrophobicContact CD1-CB 3.73Å; L260-A273 HydrophobicContact CD2-CB 3.8Å; L260-A273 HydrophobicContact CG-CB 4.33Å; L260-V479 HydrophobicContact CB-CG2 3.77Å
261	Y	94.8	Very high	92.8	Very high	70 Å²	70	57.9 Å²	57.9	28%	0.275	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-34.7	175.1	-78.4	-53.4	0	0	0	112.4	V257 S264 K265 N275 V479	V257-Y261 HydrophobicContact CG1-CD2 3.57Å; V257-Y261 HydrophobicContact CG1-CE2 3.28Å; V257-Y261 VanDerWaalsContact O-CD2 3.26Å; V257-Y261 WeakPolarHBondContact O-CD2 3.36Å; V257-Y261 PolarHBondContact O-N 3.27Å; Y261-S264 PolarHBondContact O-N 3.11Å; Y261-K265 WeakPolarHBondContact O-CB 3.11Å; Y261-K265 VanDerWaalsContact O-CG 3.26Å; Y261-K265 WeakPolarHBondContact O-CG 3.23Å; Y261-K265 PolarHBondContact O-N 3.37Å; Y261-N275 PolarHBondContact OH-ND2 3.45Å; Y261-V479 HydrophobicContact CD1-CB 3.94Å; Y261-V479 HydrophobicContact CD1-CG1 4.29Å; Y261-V479 HydrophobicContact CD1-CG2 3.98Å; Y261-V479 HydrophobicContact CE1-CB 3.6Å; Y261-V479 HydrophobicContact CE1-CG1 3.75Å; Y261-V479 HydrophobicContact CE1-CG2 4.18Å; Y261-V479 HydrophobicContact CE2-CG1 4.46Å
262	K	93.6	Very high	92.7	Very high	149 Å²	149	58.6 Å²	58.6	65%	0.648	29%	0.289	S	S	*	.	H	α-helix	trans	-63.4	-48.8	173.7	-176	-177.4	176.8	-174.2	0	110.8	Q258 R259 L260 S264 K265 T266	Q258-K262 WeakPolarHBondContact O-CB 3.14Å; Q258-K262 PolarHBondContact O-N 2.69Å; R259-K262 WeakPolarHBondContact O-CB 3.46Å; R259-K262 PolarHBondContact O-N 2.96Å; L260-K262 VanDerWaalsContact C-N 3.26Å; L260-K262 PolarHBondContact O-N 3.11Å; K262-S264 VanDerWaalsContact C-N 3.31Å; K262-S264 PolarHBondContact O-N 3.37Å; K262-K265 PolarHBondContact O-N 3.37Å; K262-T266 WeakPolarHBondContact O-CG2 3.24Å; K262-T266 PolarHBondContact O-N 3.08Å; K262-T266 VanDerWaalsContact O-N 3.08Å; K262-T266 PolarHBondContact O-OG1 3.39Å
263	L	94	Very high	92.9	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-38.9	177.1	-68.8	171.7	0	0	0	112.2	R259 L260 T266 D267 Q268 L269	R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 2.79Å; L260-L263 PolarHBondContact O-N 3.11Å; L263-T266 PolarHBondContact O-N 3.31Å; L263-T266 PolarHBondContact O-OG1 3Å; L263-D267 PolarHBondContact O-N 2.84Å; L263-Q268 HydrophobicContact CD2-CB 3.93Å; L263-Q268 PolarHBondContact O-N 3.16Å; L263-L269 HydrophobicContact CB-CB 3.96Å; L263-L269 PolarHBondContact O-N 2.82Å; L263-L269 VanDerWaalsContact O-N 3.14Å
264	S	94.4	Very high	93.2	Very high	19 Å²	19	57.2 Å²	57.2	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-42.4	177.2	-168.4	0	0	0	0	111.9	L260 Y261 K262 T266 D267 D478	L260-S264 WeakPolarHBondContact O-CB 3.46Å; L260-S264 PolarHBondContact O-N 3.36Å; Y261-S264 PolarHBondContact O-N 3.11Å; K262-S264 VanDerWaalsContact C-N 3.31Å; K262-S264 PolarHBondContact O-N 3.37Å; S264-T266 VanDerWaalsContact C-N 3.25Å; S264-T266 PolarHBondContact O-N 3.02Å; S264-D267 PolarHBondContact O-N 3.16Å; S264-D478 PolarHBondContact OG-OD1 2.59Å
265	K	93.8	Very high	93.6	Very high	177 Å²	177	55 Å²	55	77%	0.77	27%	0.27	S	S	*	.	H	α-helix	trans	-67.3	-25	177	-75.7	176.2	-178.8	-178.7	0	113.3	Y261 K262	Y261-K265 WeakPolarHBondContact O-CB 3.11Å; Y261-K265 VanDerWaalsContact O-CG 3.26Å; Y261-K265 WeakPolarHBondContact O-CG 3.23Å; Y261-K265 PolarHBondContact O-N 3.37Å; K262-K265 PolarHBondContact O-N 3.37Å
266	T	93.6	Very high	94.1	Very high	70 Å²	70	52.2 Å²	52.2	43%	0.429	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	9	176.6	56.9	0	0	0	0	113.2	K262 L263 S264 Q268	K262-T266 WeakPolarHBondContact O-CG2 3.24Å; K262-T266 PolarHBondContact O-N 3.08Å; K262-T266 VanDerWaalsContact O-N 3.08Å; K262-T266 PolarHBondContact O-OG1 3.39Å; L263-T266 PolarHBondContact O-N 3.31Å; L263-T266 PolarHBondContact O-OG1 3Å; S264-T266 VanDerWaalsContact C-N 3.25Å; S264-T266 PolarHBondContact O-N 3.02Å; T266-Q268 PolarHBondContact O-N 2.95Å; T266-Q268 VanDerWaalsContact O-N 3.14Å; T266-Q268 PolarHBondContact OG1-OE1 3.35Å
267	D	90.5	Very high	94.1	Very high	156 Å²	156	52.3 Å²	52.3	83%	0.834	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	26.9	-175.8	-65	-45.4	0	0	0	114.1	L263 S264	L263-D267 PolarHBondContact O-N 2.84Å; S264-D267 PolarHBondContact O-N 3.16Å
268	Q	91.7	Very high	94.1	Very high	120 Å²	120	55.8 Å²	55.8	56%	0.561	27%	0.269	S	S	*	.			trans	-96.6	-15.9	178.5	-72.6	177.3	-19.3	0	0	113	L263 T266 S270	L263-Q268 HydrophobicContact CD2-CB 3.93Å; L263-Q268 PolarHBondContact O-N 3.16Å; T266-Q268 PolarHBondContact O-N 2.95Å; T266-Q268 VanDerWaalsContact O-N 3.14Å; T266-Q268 PolarHBondContact OG1-OE1 3.35Å; Q268-S270 PolarHBondContact O-N 2.99Å
269	L	93.9	Very high	94.1	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	24%	0.242	C	C	.	.			trans	-72.1	110.4	175.4	-175.7	61.9	0	0	0	109.6	F243 L260 L263 V271 A273 K477 V479	F243-L269 HydrophobicContact CE1-CD1 4.48Å; F243-L269 HydrophobicContact CZ-CD1 4.32Å; L260-L269 HydrophobicContact CD2-CD1 3.97Å; L263-L269 HydrophobicContact CB-CB 3.96Å; L263-L269 PolarHBondContact O-N 2.82Å; L263-L269 VanDerWaalsContact O-N 3.14Å; L269-V271 HydrophobicContact CD1-CG2 4.46Å; L269-V271 VanDerWaalsContact CG-O 3.25Å; L269-V271 WeakPolarHBondContact CG-O 3.25Å; L269-A273 HydrophobicContact CD2-CB 4.46Å; L269-K477 WeakPolarHBondContact O-CB 3.1Å; L269-V479 HydrophobicContact CD2-CG2 3.95Å
270	S	93.3	Very high	94.1	Very high	33 Å²	33	46.1 Å²	46.1	23%	0.231	23%	0.231	C	C	.	.			trans	-92.3	-7.6	-175.3	61.8	0	0	0	0	114.6	F243 Q268 K477	F243-S270 WeakPolarHBondContact CD1-OG 3.47Å; F243-S270 WeakPolarHBondContact CE1-OG 3.38Å; Q268-S270 PolarHBondContact O-N 2.99Å; S270-K477 VanDerWaalsContact O-CD 3.29Å; S270-K477 WeakPolarHBondContact O-CD 3.36Å; S270-K477 WeakPolarHBondContact O-CE 2.92Å; S270-K477 WeakPolarHBondContact O-CG 3.4Å
271	V	95	Very high	93.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	23%	0.233	C	C	.	.	S	Bend	trans	-136.5	154.2	-174.9	-63	0	0	0	0	111.4	F243 L246 V249 L269	F243-V271 HydrophobicContact CE1-CG2 3.89Å; F243-V271 HydrophobicContact CE2-CG2 3.97Å; F243-V271 HydrophobicContact CZ-CG2 3.52Å; F243-V271 WeakPolarHBondContact O-CG1 3.46Å; L246-V271 HydrophobicContact CB-CG1 4.06Å; L246-V271 WeakPolarHBondContact O-CG1 3.48Å; V249-V271 HydrophobicContact CG2-CG2 4Å; L269-V271 HydrophobicContact CD1-CG2 4.46Å; L269-V271 VanDerWaalsContact CG-O 3.25Å; L269-V271 WeakPolarHBondContact CG-O 3.25Å
272	P	96.6	Very high	93.7	Very high	16 Å²	16	43.5 Å²	43.5	10%	0.104	22%	0.222	C	C	.	.			trans	-64.9	144.3	174.5	28.8	-36.4	0	0	0	111.2	K247 G248 V249 L467 Y475 K476	K247-P272 WeakPolarHBondContact O-CG 3.5Å; G248-P272 CarbonylContact C-O 3.05Å; G248-P272 WeakPolarHBondContact CA-O 3.33Å; V249-P272 PolarHBondContact N-O 2.74Å; P272-L467 HydrophobicContact CB-CD2 4.46Å; P272-L467 HydrophobicContact CG-CD2 4.34Å; P272-Y475 HydrophobicContact CB-CG 4.47Å; P272-K476 WeakPolarHBondContact CA-O 3.42Å; P272-K476 WeakPolarHBondContact CB-O 3.43Å
273	A	97.3	Very high	93.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.2	173.7	0	0	0	0	0	111.2	V249 L260 L269 D478 V479 Y480	V249-A273 HydrophobicContact CB-CB 4.15Å; V249-A273 CarbonylContact O-C 3.54Å; V249-A273 VanDerWaalsContact O-CA 3.3Å; V249-A273 WeakPolarHBondContact O-CA 3.23Å; L260-A273 HydrophobicContact CD1-CB 3.73Å; L260-A273 HydrophobicContact CD2-CB 3.8Å; L260-A273 HydrophobicContact CG-CB 4.33Å; L269-A273 HydrophobicContact CD2-CB 4.46Å; A273-D478 PolarHBondContact N-O 2.95Å; A273-V479 CarbonylContact O-C 3.58Å; A273-V479 WeakPolarHBondContact O-CA 3.4Å; A273-Y480 PolarHBondContact O-N 3.36Å
274	M	96.7	Very high	93.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.5	174.4	-160	76.6	70.9	0	0	109.2	V249 V250 E251 I276 A463 L467 Y475 M482	V249-M274 PolarHBondContact O-N 3.2Å; V250-M274 HydrophobicContact CG2-CB 4.36Å; E251-M274 PolarHBondContact N-O 3.47Å; M274-I276 HydrophobicContact CG-CG2 4.02Å; M274-I276 PolarHBondContact O-N 3.02Å; M274-A463 HydrophobicContact CB-CB 4.32Å; M274-A463 HydrophobicContact CG-CB 3.93Å; M274-L467 HydrophobicContact CB-CD1 4.28Å; M274-L467 HydrophobicContact CE-CD2 4.23Å; M274-L467 HydrophobicContact CE-CG 4.21Å; M274-Y475 HydrophobicContact CE-CE2 4.34Å; M274-M482 HydrophobicContact CG-CB 4.48Å; M274-M482 HydrophobicContact SD-CB 4.43Å
275	N	96.1	Very high	93.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	98.7	169	171.1	1.9	0	0	0	108.3	V257 Y261 C277 D278 V479 Y480 L481	V257-N275 HydrophobicContact CG1-CB 4.42Å; V257-N275 WeakPolarHBondContact CG1-ND2 3.38Å; V257-N275 HydrophobicContact CG2-CB 4.02Å; V257-N275 WeakPolarHBondContact CG2-OD1 3.44Å; Y261-N275 PolarHBondContact OH-ND2 3.45Å; N275-C277 WeakPolarHBondContact OD1-CB 3.41Å; N275-C277 PolarHBondContact OD1-N 3.5Å; N275-C277 VanDerWaalsContact OD1-N 3.14Å; N275-D278 PolarHBondContact ND2-OD2 3.28Å; N275-D278 PolarHBondContact OD1-N 3.06Å; N275-V479 HydrophobicContact CB-CG1 3.87Å; N275-Y480 PolarHBondContact N-O 3Å; N275-L481 HydrophobicContact CB-CD2 4.38Å
276	I	95	Very high	92.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.			trans	-90.5	-16.2	173.6	63.7	156.4	0	0	0	112.1	V250 E251 E252 M274 D278 S279 K282 T459 Q460 A463	V250-I276 HydrophobicContact CG1-CD1 3.87Å; V250-I276 HydrophobicContact CG1-CG1 3.98Å; V250-I276 HydrophobicContact CG1-CG2 3.78Å; E251-I276 WeakPolarHBondContact O-CG1 3.49Å; E251-I276 PolarHBondContact O-N 2.82Å; E251-I276 VanDerWaalsContact O-N 3.12Å; E252-I276 HydrophobicContact CB-CD1 3.8Å; E252-I276 HydrophobicContact CB-CG1 4.03Å; M274-I276 HydrophobicContact CG-CG2 4.02Å; M274-I276 PolarHBondContact O-N 3.02Å; I276-D278 PolarHBondContact O-N 3.05Å; I276-S279 WeakPolarHBondContact CA-OG 3.48Å; I276-S279 WeakPolarHBondContact O-CB 3.32Å; I276-S279 PolarHBondContact O-N 3.02Å; I276-S279 PolarHBondContact O-OG 3.3Å; I276-S279 VanDerWaalsContact O-OG 3.13Å; I276-K282 VanDerWaalsContact O-CB 3.31Å; I276-K282 WeakPolarHBondContact O-CB 2.97Å; I276-T459 HydrophobicContact CB-CG2 3.76Å; I276-T459 HydrophobicContact CD1-CG2 4.35Å; I276-T459 HydrophobicContact CG2-CG2 3.91Å; I276-Q460 HydrophobicContact CD1-CB 4.21Å; I276-Q460 HydrophobicContact CD1-CG 3.2Å; I276-A463 HydrophobicContact CG2-CB 3.77Å
277	C	92	Very high	92.3	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-42.5	175.2	-178.5	0	0	0	0	111.9	E252 I254 V257 N275 S279	E252-C277 VanDerWaalsContact O-CB 3.26Å; E252-C277 WeakPolarHBondContact O-CB 3.22Å; I254-C277 WeakPolarHBondContact CG1-SG 3.39Å; V257-C277 HydrophobicContact CG2-CB 4Å; N275-C277 WeakPolarHBondContact OD1-CB 3.41Å; N275-C277 PolarHBondContact OD1-N 3.5Å; N275-C277 VanDerWaalsContact OD1-N 3.14Å; C277-S279 VanDerWaalsContact C-N 3.3Å; C277-S279 PolarHBondContact O-N 3.3Å
278	D	91.6	Very high	92.2	Very high	79 Å²	79	24.1 Å²	24.1	42%	0.422	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6.9	-179.6	-68.3	-26.6	0	0	0	113.7	N275 I276 L481	N275-D278 PolarHBondContact ND2-OD2 3.28Å; N275-D278 PolarHBondContact OD1-N 3.06Å; I276-D278 PolarHBondContact O-N 3.05Å; D278-L481 HydrophobicContact CB-CD2 3.75Å
279	S	92.9	Very high	92.2	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.028	12%	0.115	C	C	.	.	S	Bend	trans	-61.6	141.3	167.5	-61.2	0	0	0	0	109.8	I276 C277 T281 K282 C283 D487	I276-S279 WeakPolarHBondContact CA-OG 3.48Å; I276-S279 WeakPolarHBondContact O-CB 3.32Å; I276-S279 PolarHBondContact O-N 3.02Å; I276-S279 PolarHBondContact O-OG 3.3Å; I276-S279 VanDerWaalsContact O-OG 3.13Å; C277-S279 VanDerWaalsContact C-N 3.3Å; C277-S279 PolarHBondContact O-N 3.3Å; S279-T281 VanDerWaalsContact C-N 3.27Å; S279-T281 PolarHBondContact O-N 3.34Å; S279-K282 PolarHBondContact O-N 3.42Å; S279-C283 VanDerWaalsContact O-CB 3.24Å; S279-C283 WeakPolarHBondContact O-CB 3.49Å; S279-C283 PolarHBondContact O-N 3.46Å; S279-D487 WeakPolarHBondContact CA-OD2 3.48Å; S279-D487 WeakPolarHBondContact CB-OD2 3.25Å
280	V	92.9	Very high	92.1	Very high	32 Å²	32	22.6 Å²	22.6	19%	0.194	11%	0.113	C	C	.	.	H	α-helix	trans	-47.9	-54.5	177.5	-177.8	0	0	0	0	110.3	R284 D487 Y528	V280-R284 HydrophobicContact CG1-CG 4.42Å; V280-R284 VanDerWaalsContact O-CB 3.31Å; V280-R284 WeakPolarHBondContact O-CB 3.24Å; V280-R284 WeakPolarHBondContact O-CG 3.18Å; V280-R284 PolarHBondContact O-N 2.95Å; V280-D487 WeakPolarHBondContact CB-OD2 3.45Å; V280-D487 HydrophobicContact CG2-CB 4.37Å; V280-D487 WeakPolarHBondContact CG2-OD2 3.46Å; V280-D487 PolarHBondContact N-OD2 3.22Å; V280-Y528 HydrophobicContact CB-CD1 4.26Å; V280-Y528 HydrophobicContact CB-CE1 3.53Å; V280-Y528 HydrophobicContact CB-CE2 4.37Å; V280-Y528 HydrophobicContact CG1-CD1 3.31Å; V280-Y528 HydrophobicContact CG1-CD2 4.1Å; V280-Y528 HydrophobicContact CG1-CE1 3.07Å; V280-Y528 HydrophobicContact CG1-CE2 3.82Å; V280-Y528 HydrophobicContact CG1-CG 3.87Å; V280-Y528 HydrophobicContact CG2-CD1 4.12Å; V280-Y528 HydrophobicContact CG2-CE1 3.1Å; V280-Y528 WeakPolarHBondContact CG2-OH 3.41Å
281	T	91.8	Very high	92	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.037	10%	0.103	C	C	.	.	H	α-helix	trans	-68.3	-46.7	-171.2	53.5	0	0	0	0	110.3	S279 F285 T459 D487 V490 A491	S279-T281 VanDerWaalsContact C-N 3.27Å; S279-T281 PolarHBondContact O-N 3.34Å; T281-F285 VanDerWaalsContact O-CB 3.3Å; T281-F285 WeakPolarHBondContact O-CB 3.1Å; T281-F285 WeakPolarHBondContact O-CD2 3.44Å; T281-F285 PolarHBondContact O-N 3.45Å; T281-T459 PolarHBondContact OG1-OG1 3.14Å; T281-D487 VanDerWaalsContact CB-OD1 3.23Å; T281-D487 WeakPolarHBondContact CB-OD1 3.36Å; T281-D487 WeakPolarHBondContact CG2-O 3.32Å; T281-D487 WeakPolarHBondContact CG2-OD1 3.5Å; T281-D487 PolarHBondContact N-OD1 3.26Å; T281-D487 VanDerWaalsContact N-OD1 3.11Å; T281-D487 PolarHBondContact OG1-OD1 3.14Å; T281-V490 HydrophobicContact CG2-CB 4.3Å; T281-V490 HydrophobicContact CG2-CG1 4.18Å; T281-A491 HydrophobicContact CG2-CB 4.03Å
282	K	91.8	Very high	91.8	Very high	12 Å²	12	24.2 Å²	24.2	5%	0.052	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-56.9	175.8	-160	-74.8	-173.4	173.2	0	111	E252 I276 S279 R284 F285 D286 T456	E252-K282 VanDerWaalsContact O-CE 3.31Å; E252-K282 WeakPolarHBondContact O-CE 3.26Å; E252-K282 PolarHBondContact O-NZ 3.43Å; I276-K282 VanDerWaalsContact O-CB 3.31Å; I276-K282 WeakPolarHBondContact O-CB 2.97Å; S279-K282 PolarHBondContact O-N 3.42Å; K282-R284 PolarHBondContact O-N 2.92Å; K282-F285 PolarHBondContact O-N 3.21Å; K282-D286 HydrophobicContact CD-CB 4.06Å; K282-D286 WeakPolarHBondContact CE-OD2 3.13Å; K282-D286 IonicContact NZ-OD2 3.46Å; K282-D286 PolarHBondContact NZ-OD2 2.71Å; K282-D286 WeakPolarHBondContact O-CB 3.4Å; K282-D286 PolarHBondContact O-N 2.67Å; K282-T456 HydrophobicContact CG-CG2 4.14Å
283	C	88.8	Confident	91.6	Very high	23 Å²	23	29.2 Å²	29.2	16%	0.155	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-44	-173.4	-178.6	0	0	0	0	112.3	S279 N287	S279-C283 VanDerWaalsContact O-CB 3.24Å; S279-C283 WeakPolarHBondContact O-CB 3.49Å; S279-C283 PolarHBondContact O-N 3.46Å; C283-N287 WeakPolarHBondContact CA-ND2 3.42Å; C283-N287 WeakPolarHBondContact O-CB 3.26Å; C283-N287 PolarHBondContact O-N 3.35Å; C283-N287 PolarHBondContact O-ND2 2.93Å; C283-N287 PolarHBondContact SG-ND2 2.99Å
284	R	91.1	Very high	91.4	Very high	73 Å²	73	29.2 Å²	29.2	28%	0.275	14%	0.136	S	C	.	.	H	α-helix	trans	-73.2	-37.6	-178.9	-61.9	-62.7	-68.4	175.5	-4.1	112.4	V280 K282 V288 Y289 D319 Y528	V280-R284 HydrophobicContact CG1-CG 4.42Å; V280-R284 VanDerWaalsContact O-CB 3.31Å; V280-R284 WeakPolarHBondContact O-CB 3.24Å; V280-R284 WeakPolarHBondContact O-CG 3.18Å; V280-R284 PolarHBondContact O-N 2.95Å; K282-R284 PolarHBondContact O-N 2.92Å; R284-V288 WeakPolarHBondContact O-CA 3.39Å; R284-V288 WeakPolarHBondContact O-CB 3.47Å; R284-V288 PolarHBondContact O-N 3.04Å; R284-Y289 HydrophobicContact CB-CE2 4.23Å; R284-Y289 VanDerWaalsContact O-CD2 3.31Å; R284-Y289 WeakPolarHBondContact O-CD2 3.31Å; R284-Y289 PolarHBondContact O-N 2.82Å; R284-Y289 VanDerWaalsContact O-N 3.13Å; R284-D319 IonicContact NH1-OD1 3.16Å; R284-D319 PolarHBondContact NH1-OD1 2.97Å; R284-Y528 HydrophobicContact CG-CD2 4.09Å; R284-Y528 HydrophobicContact CG-CE2 4.27Å
285	F	90.9	Very high	91.3	Very high	56 Å²	56	29.1 Å²	29.1	25%	0.246	14%	0.136	C	C	.	.	I	π-helix	trans	-74.7	-47	179.5	-76.9	-106.3	0	0	0	113	T281 K282 Y289 S290 V452 V455	T281-F285 VanDerWaalsContact O-CB 3.3Å; T281-F285 WeakPolarHBondContact O-CB 3.1Å; T281-F285 WeakPolarHBondContact O-CD2 3.44Å; T281-F285 PolarHBondContact O-N 3.45Å; K282-F285 PolarHBondContact O-N 3.21Å; F285-Y289 HydrophobicContact CB-CD2 4.22Å; F285-Y289 AromaticContact CD1-CD2 3.8Å; F285-Y289 HydrophobicContact CD1-CD2 3.8Å; F285-Y289 AromaticContact CD2-CD2 3.88Å; F285-Y289 HydrophobicContact CD2-CD2 3.88Å; F285-Y289 HydrophobicContact CD2-CE2 4.03Å; F285-Y289 HydrophobicContact CE1-CD2 4.11Å; F285-Y289 HydrophobicContact CE2-CD2 4.2Å; F285-Y289 HydrophobicContact CE2-CE2 4.05Å; F285-Y289 AromaticContact CG-CD2 3.7Å; F285-Y289 HydrophobicContact CG-CD2 3.7Å; F285-Y289 HydrophobicContact CG-CE2 4.32Å; F285-Y289 HydrophobicContact CZ-CD2 4.31Å; F285-Y289 HydrophobicContact CZ-CE2 4.32Å; F285-Y289 PolarHBondContact O-N 2.97Å; F285-S290 PolarHBondContact O-N 3.4Å; F285-V452 HydrophobicContact CB-CG1 4.21Å; F285-V452 HydrophobicContact CB-CG2 4.46Å; F285-V455 HydrophobicContact CB-CG1 4.37Å; F285-V455 HydrophobicContact CD1-CG2 3.92Å; F285-V455 HydrophobicContact CD2-CG1 4.31Å; F285-V455 HydrophobicContact CE1-CG2 4.14Å; F285-V455 HydrophobicContact CG-CB 4.44Å; F285-V455 HydrophobicContact CG-CG1 4.28Å; F285-V455 HydrophobicContact CG-CG2 4.12Å
286	D	86.4	Confident	91.1	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.123	15%	0.148	C	C	.	.	I	π-helix	trans	-68.6	-51.6	178.8	-171.6	15.5	0	0	0	111.4	K282 S290 V452	K282-D286 HydrophobicContact CD-CB 4.06Å; K282-D286 WeakPolarHBondContact CE-OD2 3.13Å; K282-D286 IonicContact NZ-OD2 3.46Å; K282-D286 PolarHBondContact NZ-OD2 2.71Å; K282-D286 WeakPolarHBondContact O-CB 3.4Å; K282-D286 PolarHBondContact O-N 2.67Å; D286-S290 VanDerWaalsContact O-CB 3.27Å; D286-S290 WeakPolarHBondContact O-CB 3.18Å; D286-V452 HydrophobicContact CB-CG1 4.37Å
287	N	81.6	Confident	91.1	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	16%	0.16	C	C	.	.	I	π-helix	trans	-88.1	-13.3	-169.9	-52.1	-58.7	0	0	0	114.7	C283 L291 R397	C283-N287 WeakPolarHBondContact CA-ND2 3.42Å; C283-N287 WeakPolarHBondContact O-CB 3.26Å; C283-N287 PolarHBondContact O-N 3.35Å; C283-N287 PolarHBondContact O-ND2 2.93Å; C283-N287 PolarHBondContact SG-ND2 2.99Å; N287-L291 VanDerWaalsContact O-CD1 3.31Å; N287-L291 WeakPolarHBondContact O-CD1 3.26Å; N287-R397 PolarHBondContact ND2-NH2 3.4Å; N287-R397 PolarHBondContact OD1-NH2 3.39Å
288	V	88.3	Confident	91.1	Very high	10 Å²	10	33.7 Å²	33.7	6%	0.061	16%	0.159	C	C	.	.	I	π-helix	trans	-124.5	-45.3	-174.3	-168.2	0	0	0	0	113.3	R284 R292 D319 A323	R284-V288 WeakPolarHBondContact O-CA 3.39Å; R284-V288 WeakPolarHBondContact O-CB 3.47Å; R284-V288 PolarHBondContact O-N 3.04Å; V288-R292 WeakPolarHBondContact O-CB 3.4Å; V288-R292 PolarHBondContact O-NH2 3.1Å; V288-D319 HydrophobicContact CG2-CB 3.79Å; V288-A323 HydrophobicContact CG1-CB 4.18Å; V288-A323 WeakPolarHBondContact O-CB 3.45Å
289	Y	91.5	Very high	91.2	Very high	94 Å²	94	29.9 Å²	29.9	37%	0.369	14%	0.139	S	C	.	.	I	π-helix	trans	-78.5	-50.5	178.9	-59.7	-61.3	0	0	0	110.4	R284 F285 L291 R292	R284-Y289 HydrophobicContact CB-CE2 4.23Å; R284-Y289 VanDerWaalsContact O-CD2 3.31Å; R284-Y289 WeakPolarHBondContact O-CD2 3.31Å; R284-Y289 PolarHBondContact O-N 2.82Å; R284-Y289 VanDerWaalsContact O-N 3.13Å; F285-Y289 HydrophobicContact CB-CD2 4.22Å; F285-Y289 AromaticContact CD1-CD2 3.8Å; F285-Y289 HydrophobicContact CD1-CD2 3.8Å; F285-Y289 AromaticContact CD2-CD2 3.88Å; F285-Y289 HydrophobicContact CD2-CD2 3.88Å; F285-Y289 HydrophobicContact CD2-CE2 4.03Å; F285-Y289 HydrophobicContact CE1-CD2 4.11Å; F285-Y289 HydrophobicContact CE2-CD2 4.2Å; F285-Y289 HydrophobicContact CE2-CE2 4.05Å; F285-Y289 AromaticContact CG-CD2 3.7Å; F285-Y289 HydrophobicContact CG-CD2 3.7Å; F285-Y289 HydrophobicContact CG-CE2 4.32Å; F285-Y289 HydrophobicContact CZ-CD2 4.31Å; F285-Y289 HydrophobicContact CZ-CE2 4.32Å; F285-Y289 PolarHBondContact O-N 2.97Å; Y289-L291 PolarHBondContact O-N 3.01Å; Y289-R292 WeakPolarHBondContact O-CB 3.31Å; Y289-R292 PolarHBondContact O-N 3.33Å
290	S	91.8	Very high	91.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-60.4	-48.7	178.7	-176.4	0	0	0	0	112.9	F285 D286 R292 E293 S294	F285-S290 PolarHBondContact O-N 3.4Å; D286-S290 VanDerWaalsContact O-CB 3.27Å; D286-S290 WeakPolarHBondContact O-CB 3.18Å; S290-R292 PolarHBondContact O-N 3.14Å; S290-E293 PolarHBondContact O-N 3.45Å; S290-E293 VanDerWaalsContact O-N 3.13Å; S290-S294 WeakPolarHBondContact O-CB 3.4Å; S290-S294 PolarHBondContact O-N 2.85Å; S290-S294 PolarHBondContact O-OG 3.05Å
291	L	91.4	Very high	91.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-24.2	-176.9	-59.7	-171.3	0	0	0	113.5	N287 Y289 I295 T320 A323 M395 Y442	N287-L291 VanDerWaalsContact O-CD1 3.31Å; N287-L291 WeakPolarHBondContact O-CD1 3.26Å; Y289-L291 PolarHBondContact O-N 3.01Å; L291-I295 VanDerWaalsContact O-CG2 3.29Å; L291-I295 WeakPolarHBondContact O-CG2 3.5Å; L291-I295 PolarHBondContact O-N 3.43Å; L291-T320 HydrophobicContact CD1-CG2 3.56Å; L291-T320 WeakPolarHBondContact CD1-OG1 3.28Å; L291-A323 HydrophobicContact CB-CB 4.27Å; L291-M395 HydrophobicContact CB-CE 4.23Å; L291-M395 HydrophobicContact CD2-CE 4.04Å; L291-Y442 HydrophobicContact CD2-CD1 3.73Å; L291-Y442 HydrophobicContact CD2-CD2 3.89Å; L291-Y442 HydrophobicContact CD2-CE1 4.32Å; L291-Y442 HydrophobicContact CD2-CE2 4.43Å; L291-Y442 HydrophobicContact CD2-CG 3.5Å
292	R	91.6	Very high	91.1	Very high	65 Å²	65	39.4 Å²	39.4	25%	0.245	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-35.5	176.2	-170.9	-168	-41.4	171.5	10.1	112.1	V288 Y289 S290 A323 A327	V288-R292 WeakPolarHBondContact O-CB 3.4Å; V288-R292 PolarHBondContact O-NH2 3.1Å; Y289-R292 WeakPolarHBondContact O-CB 3.31Å; Y289-R292 PolarHBondContact O-N 3.33Å; S290-R292 PolarHBondContact O-N 3.14Å; R292-A323 HydrophobicContact CB-CB 4.42Å; R292-A327 HydrophobicContact CB-CB 4.47Å; R292-A327 HydrophobicContact CG-CB 3.74Å; R292-A327 WeakPolarHBondContact O-CB 3.3Å
293	E	92	Very high	91.1	Very high	121 Å²	121	39.8 Å²	39.8	57%	0.565	18%	0.177	S	C	*	.	H	α-helix	trans	-82.7	-46.2	174.6	-66.6	-174.3	-146.1	0	0	110.7	S290 I295 I296 D297	S290-E293 PolarHBondContact O-N 3.45Å; S290-E293 VanDerWaalsContact O-N 3.13Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 3.09Å; E293-I296 PolarHBondContact O-N 2.96Å; E293-D297 PolarHBondContact O-N 3.18Å; E293-D297 VanDerWaalsContact O-N 3.11Å
294	S	92.6	Very high	91.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-37.7	-174.6	-62.4	0	0	0	0	113.2	S290 I296 D297 C298 S446	S290-S294 WeakPolarHBondContact O-CB 3.4Å; S290-S294 PolarHBondContact O-N 2.85Å; S290-S294 PolarHBondContact O-OG 3.05Å; S294-I296 VanDerWaalsContact C-N 3.32Å; S294-I296 PolarHBondContact O-N 3.36Å; S294-D297 PolarHBondContact O-N 2.91Å; S294-C298 WeakPolarHBondContact O-CB 3.36Å; S294-C298 PolarHBondContact O-N 3.49Å; S294-C298 PolarHBondContact O-SG 2.62Å; S294-S446 WeakPolarHBondContact CA-OG 3.09Å; S294-S446 PolarHBondContact OG-OG 3.37Å
295	I	94.3	Very high	91.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-39.7	177.8	-178.3	58.8	0	0	0	112.2	L291 E293 L299 V324 A327 L328 I369 M395	L291-I295 VanDerWaalsContact O-CG2 3.29Å; L291-I295 WeakPolarHBondContact O-CG2 3.5Å; L291-I295 PolarHBondContact O-N 3.43Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 3.09Å; I295-L299 HydrophobicContact CD1-CD1 3.8Å; I295-L299 HydrophobicContact CD1-CG 3.9Å; I295-L299 HydrophobicContact CG1-CD1 3.95Å; I295-L299 HydrophobicContact CG1-CG 4.43Å; I295-L299 WeakPolarHBondContact O-CB 3.36Å; I295-L299 VanDerWaalsContact O-CG 3.29Å; I295-L299 WeakPolarHBondContact O-CG 3.38Å; I295-L299 PolarHBondContact O-N 3.3Å; I295-V324 HydrophobicContact CB-CG2 4.33Å; I295-V324 HydrophobicContact CG1-CG1 4.17Å; I295-V324 HydrophobicContact CG1-CG2 4.47Å; I295-V324 HydrophobicContact CG2-CG2 4.49Å; I295-A327 HydrophobicContact CG2-CB 3.65Å; I295-L328 HydrophobicContact CG1-CD2 4.41Å; I295-I369 HydrophobicContact CD1-CD1 4.15Å; I295-M395 HydrophobicContact CB-CE 3.95Å; I295-M395 HydrophobicContact CB-SD 4.24Å; I295-M395 HydrophobicContact CD1-CG 3.77Å; I295-M395 HydrophobicContact CD1-SD 3.72Å
296	I	93.9	Very high	91.5	Very high	52 Å²	52	46.2 Å²	46.2	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-67.9	-48.2	-179.9	-59.8	177.7	0	0	0	108.6	E293 S294 L299 K300 A327 L331	E293-I296 PolarHBondContact O-N 2.96Å; S294-I296 VanDerWaalsContact C-N 3.32Å; S294-I296 PolarHBondContact O-N 3.36Å; I296-L299 PolarHBondContact O-N 3.05Å; I296-K300 HydrophobicContact CG2-CG 4.29Å; I296-K300 WeakPolarHBondContact O-CB 3.13Å; I296-K300 VanDerWaalsContact O-CG 3.25Å; I296-K300 WeakPolarHBondContact O-CG 3.35Å; I296-K300 PolarHBondContact O-N 3.17Å; I296-A327 HydrophobicContact CD1-CB 4.16Å; I296-A327 HydrophobicContact CG1-CB 4.21Å; I296-L331 HydrophobicContact CD1-CD1 3.99Å; I296-L331 HydrophobicContact CD1-CG 4.36Å; I296-L331 HydrophobicContact CG1-CD1 3.93Å; I296-L331 HydrophobicContact CG2-CD1 4.08Å
297	D	93.2	Very high	91.9	Very high	45 Å²	45	45.3 Å²	45.3	24%	0.241	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-51.2	178.5	-168	28.1	0	0	0	111.4	E293 S294 L299 K300 R301 S446	E293-D297 PolarHBondContact O-N 3.18Å; E293-D297 VanDerWaalsContact O-N 3.11Å; S294-D297 PolarHBondContact O-N 2.91Å; D297-L299 PolarHBondContact O-N 2.8Å; D297-K300 PolarHBondContact O-N 2.96Å; D297-R301 WeakPolarHBondContact O-CB 3.41Å; D297-R301 WeakPolarHBondContact O-CG 3.43Å; D297-R301 PolarHBondContact O-N 3.3Å; D297-R301 WeakPolarHBondContact OD1-CG 3.08Å; D297-R301 IonicContact OD1-CZ 2.81Å; D297-R301 IonicContact OD1-NE 3.47Å; D297-R301 PolarHBondContact OD1-NE 3.26Å; D297-R301 IonicContact OD1-NH2 3.33Å; D297-R301 PolarHBondContact OD1-NH2 2.66Å; D297-R301 IonicContact OD2-CZ 2.91Å; D297-R301 IonicContact OD2-NE 3.59Å; D297-R301 PolarHBondContact OD2-NE 2.98Å; D297-R301 IonicContact OD2-NH2 2.8Å; D297-R301 PolarHBondContact OD2-NH2 2.91Å; D297-S446 PolarHBondContact OD2-OG 3.05Å
298	C	92.7	Very high	92.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-50.1	-56.6	175.3	-82.4	0	0	0	0	112.1	S294 K300 T302 M441 C445 S446	S294-C298 WeakPolarHBondContact O-CB 3.36Å; S294-C298 PolarHBondContact O-N 3.49Å; S294-C298 PolarHBondContact O-SG 2.62Å; C298-K300 VanDerWaalsContact C-N 3.3Å; C298-K300 PolarHBondContact O-N 3.48Å; C298-T302 WeakPolarHBondContact O-CB 3.14Å; C298-T302 WeakPolarHBondContact O-CG2 3.15Å; C298-T302 PolarHBondContact O-N 3.39Å; C298-T302 PolarHBondContact O-OG1 3.44Å; C298-M441 HydrophobicContact CB-CE 3.54Å; C298-M441 PolarHBondContact SG-O 3.39Å; C298-C445 HydrophobicContact CB-CB 4.37Å; C298-S446 VanDerWaalsContact SG-CB 3.57Å
299	L	94.5	Very high	93	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-38.1	-177.1	-71.4	173.3	0	0	0	111.3	I295 I296 D297 T303 L307 L328 L367 I391 L435	I295-L299 HydrophobicContact CD1-CD1 3.8Å; I295-L299 HydrophobicContact CD1-CG 3.9Å; I295-L299 HydrophobicContact CG1-CD1 3.95Å; I295-L299 HydrophobicContact CG1-CG 4.43Å; I295-L299 WeakPolarHBondContact O-CB 3.36Å; I295-L299 VanDerWaalsContact O-CG 3.29Å; I295-L299 WeakPolarHBondContact O-CG 3.38Å; I295-L299 PolarHBondContact O-N 3.3Å; I296-L299 PolarHBondContact O-N 3.05Å; D297-L299 PolarHBondContact O-N 2.8Å; L299-T303 WeakPolarHBondContact O-CB 3.38Å; L299-T303 PolarHBondContact O-N 2.82Å; L299-T303 PolarHBondContact O-OG1 3.27Å; L299-L307 HydrophobicContact CB-CD1 4.2Å; L299-L307 HydrophobicContact CB-CD2 4.44Å; L299-L307 HydrophobicContact CD1-CD1 3.96Å; L299-L307 HydrophobicContact CD1-CD2 4.02Å; L299-L328 HydrophobicContact CD1-CD2 3.95Å; L299-L367 HydrophobicContact CD1-CD2 3.93Å; L299-L367 HydrophobicContact CD2-CD2 3.93Å; L299-I391 HydrophobicContact CD2-CG2 4.25Å; L299-L435 HydrophobicContact CD2-CD1 4.04Å
300	K	93.2	Very high	93.2	Very high	88 Å²	88	46.9 Å²	46.9	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-68.7	-50.9	179	-72	-61	-171.7	179.8	0	112.2	I296 D297 C298 T302 D304 S305	I296-K300 HydrophobicContact CG2-CG 4.29Å; I296-K300 WeakPolarHBondContact O-CB 3.13Å; I296-K300 VanDerWaalsContact O-CG 3.25Å; I296-K300 WeakPolarHBondContact O-CG 3.35Å; I296-K300 PolarHBondContact O-N 3.17Å; D297-K300 PolarHBondContact O-N 2.96Å; C298-K300 VanDerWaalsContact C-N 3.3Å; C298-K300 PolarHBondContact O-N 3.48Å; K300-T302 VanDerWaalsContact C-N 3.31Å; K300-T302 PolarHBondContact O-N 3.16Å; K300-D304 WeakPolarHBondContact O-CA 3.35Å; K300-D304 PolarHBondContact O-N 2.89Å; K300-S305 PolarHBondContact NZ-O 2.96Å
301	R	90.4	Very high	93.5	Very high	146 Å²	146	48.3 Å²	48.3	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-61.9	-37	179	-69.3	-173.3	-167.2	-158.3	11.9	113.3	D297	D297-R301 WeakPolarHBondContact O-CB 3.41Å; D297-R301 WeakPolarHBondContact O-CG 3.43Å; D297-R301 PolarHBondContact O-N 3.3Å; D297-R301 WeakPolarHBondContact OD1-CG 3.08Å; D297-R301 IonicContact OD1-CZ 2.81Å; D297-R301 IonicContact OD1-NE 3.47Å; D297-R301 PolarHBondContact OD1-NE 3.26Å; D297-R301 IonicContact OD1-NH2 3.33Å; D297-R301 PolarHBondContact OD1-NH2 2.66Å; D297-R301 IonicContact OD2-CZ 2.91Å; D297-R301 IonicContact OD2-NE 3.59Å; D297-R301 PolarHBondContact OD2-NE 2.98Å; D297-R301 IonicContact OD2-NH2 2.8Å; D297-R301 PolarHBondContact OD2-NH2 2.91Å
302	T	91.8	Very high	93.9	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-87.8	-35.1	-174.1	56.4	0	0	0	0	113.7	C298 K300 R418 V421 L435 M441 C445	C298-T302 WeakPolarHBondContact O-CB 3.14Å; C298-T302 WeakPolarHBondContact O-CG2 3.15Å; C298-T302 PolarHBondContact O-N 3.39Å; C298-T302 PolarHBondContact O-OG1 3.44Å; K300-T302 VanDerWaalsContact C-N 3.31Å; K300-T302 PolarHBondContact O-N 3.16Å; T302-R418 VanDerWaalsContact O-CZ 3.24Å; T302-R418 PolarHBondContact O-NE 3.3Å; T302-R418 PolarHBondContact O-NH2 2.9Å; T302-V421 HydrophobicContact CG2-CG2 3.99Å; T302-L435 WeakPolarHBondContact OG1-CD1 3.46Å; T302-M441 HydrophobicContact CG2-CE 4.21Å; T302-C445 HydrophobicContact CG2-CB 4.08Å
303	T	91.9	Very high	94.2	Very high	19 Å²	19	45 Å²	45	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-120.3	-14.2	-169.4	74.2	0	0	0	0	115	L299 S305 I391 L435	L299-T303 WeakPolarHBondContact O-CB 3.38Å; L299-T303 PolarHBondContact O-N 2.82Å; L299-T303 PolarHBondContact O-OG1 3.27Å; T303-S305 PolarHBondContact O-N 3.39Å; T303-S305 PolarHBondContact O-OG 2.99Å; T303-S305 VanDerWaalsContact O-OG 3.1Å; T303-S305 WeakPolarHBondContact OG1-CB 3.16Å; T303-S305 PolarHBondContact OG1-N 3.23Å; T303-S305 PolarHBondContact OG1-OG 2.96Å; T303-I391 HydrophobicContact CG2-CD1 3.93Å; T303-I391 HydrophobicContact CG2-CG1 4.33Å; T303-I391 HydrophobicContact CG2-CG2 4.26Å; T303-L435 HydrophobicContact CG2-CD1 4.1Å; T303-L435 HydrophobicContact CG2-CD2 3.95Å
304	D	92.6	Very high	94.5	Very high	110 Å²	110	39.3 Å²	39.3	59%	0.588	22%	0.215	S	C	*	.			trans	53.3	12.8	-174.9	-53.3	-75.2	0	0	0	113.6	K300 R418	K300-D304 WeakPolarHBondContact O-CA 3.35Å; K300-D304 PolarHBondContact O-N 2.89Å; D304-R418 IonicContact OD2-CZ 3.87Å; D304-R418 IonicContact OD2-NH1 3.2Å; D304-R418 PolarHBondContact OD2-NH1 2.96Å; D304-R418 IonicContact OD2-NH2 2.67Å; D304-R418 PolarHBondContact OD2-NH2 3.19Å
305	S	90.9	Very high	94.8	Very high	31 Å²	31	39.2 Å²	39.2	22%	0.217	22%	0.215	C	C	.	.			trans	-78.5	143.3	-165.5	-72.5	0	0	0	0	111.7	K300 T303 L307	K300-S305 PolarHBondContact NZ-O 2.96Å; T303-S305 PolarHBondContact O-N 3.39Å; T303-S305 PolarHBondContact O-OG 2.99Å; T303-S305 VanDerWaalsContact O-OG 3.1Å; T303-S305 WeakPolarHBondContact OG1-CB 3.16Å; T303-S305 PolarHBondContact OG1-N 3.23Å; T303-S305 PolarHBondContact OG1-OG 2.96Å; S305-L307 PolarHBondContact O-N 3.49Å
306	M	94.7	Very high	94.9	Very high	147 Å²	147	39.5 Å²	39.5	72%	0.724	22%	0.218	S	C	*	.			trans	-67.4	122.3	164.4	-174.3	177.8	-176.5	0	0	108.6	K310	M306-K310 WeakPolarHBondContact O-CD 3.04Å; M306-K310 WeakPolarHBondContact O-CE 3.44Å
307	L	95.7	Very high	95.1	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	21%	0.206	C	C	.	.			trans	-90.6	-36.2	-177.9	-63.7	176.5	0	0	0	112	L299 S305 G309 K310 L328 L331 V333 L367	L299-L307 HydrophobicContact CB-CD1 4.2Å; L299-L307 HydrophobicContact CB-CD2 4.44Å; L299-L307 HydrophobicContact CD1-CD1 3.96Å; L299-L307 HydrophobicContact CD1-CD2 4.02Å; S305-L307 PolarHBondContact O-N 3.49Å; L307-G309 PolarHBondContact O-N 3.01Å; L307-K310 VanDerWaalsContact O-CB 3.26Å; L307-K310 WeakPolarHBondContact O-CB 3.48Å; L307-K310 PolarHBondContact O-N 3.4Å; L307-L328 HydrophobicContact CD1-CD2 4.21Å; L307-L331 HydrophobicContact CB-CB 4.5Å; L307-L331 HydrophobicContact CB-CD1 4.27Å; L307-L331 HydrophobicContact CD1-CD1 3.58Å; L307-V333 HydrophobicContact CB-CG2 3.95Å; L307-V333 WeakPolarHBondContact O-CG2 3.32Å; L307-L367 HydrophobicContact CD2-CD2 4.03Å
308	G	95.8	Very high	95.1	Very high	28 Å²	28	36.7 Å²	36.7	29%	0.289	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	133	179.3	0	0	0	0	0	112.9	K310 L331	G308-K310 PolarHBondContact O-N 2.87Å; G308-L331 WeakPolarHBondContact CA-O 3.36Å
309	G	95.9	Very high	95	Very high	58 Å²	58	39.4 Å²	39.4	60%	0.598	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	-13.7	-177	0	0	0	0	0	114.9	L307 G332	L307-G309 PolarHBondContact O-N 3.01Å; G309-G332 PolarHBondContact N-O 3.21Å
310	K	97.2	Very high	94.9	Very high	57 Å²	57	39.9 Å²	39.9	25%	0.248	23%	0.227	C	C	.	.			trans	-70.1	159.5	174.3	-69.4	-169.4	173.7	-68.3	0	111.6	M306 L307 G308 V333 N334 D366 L367	M306-K310 WeakPolarHBondContact O-CD 3.04Å; M306-K310 WeakPolarHBondContact O-CE 3.44Å; L307-K310 VanDerWaalsContact O-CB 3.26Å; L307-K310 WeakPolarHBondContact O-CB 3.48Å; L307-K310 PolarHBondContact O-N 3.4Å; G308-K310 PolarHBondContact O-N 2.87Å; K310-V333 WeakPolarHBondContact O-CG1 3.44Å; K310-N334 PolarHBondContact O-N 3.27Å; K310-D366 HydrophobicContact CB-CB 3.93Å; K310-D366 HydrophobicContact CD-CB 4Å; K310-D366 HydrophobicContact CG-CB 4.14Å; K310-D366 IonicContact NZ-OD1 3.83Å; K310-L367 HydrophobicContact CB-CD1 3.79Å; K310-L367 HydrophobicContact CD-CD1 3.9Å; K310-L367 HydrophobicContact CG-CD1 4.5Å
311	S	97.8	Very high	95	Very high	30 Å²	30	35.7 Å²	35.7	21%	0.21	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.9	173.8	52.1	0	0	0	0	111	N334 Q364 V365 D366 L367	S311-N334 CarbonylContact C-O 3.48Å; S311-N334 WeakPolarHBondContact CA-O 3.35Å; S311-Q364 PolarHBondContact OG-O 3.11Å; S311-V365 VanDerWaalsContact OG-CA 3.32Å; S311-V365 WeakPolarHBondContact OG-CA 3.42Å; S311-D366 PolarHBondContact N-OD2 3.03Å; S311-D366 WeakPolarHBondContact O-CA 3.14Å; S311-D366 WeakPolarHBondContact O-CB 3.33Å; S311-D366 PolarHBondContact O-N 3.13Å; S311-D366 PolarHBondContact OG-N 2.95Å; S311-D366 PolarHBondContact OG-OD2 2.88Å; S311-L367 PolarHBondContact O-N 3.42Å
312	A	98.3	Very high	95.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.3	-179.3	0	0	0	0	0	111.4	L328 V333 N334 I335 S336 L367	A312-L328 HydrophobicContact CB-CD1 4.43Å; A312-V333 HydrophobicContact CB-CG1 3.53Å; A312-N334 PolarHBondContact N-O 3.45Å; A312-I335 WeakPolarHBondContact O-CA 3.29Å; A312-S336 PolarHBondContact O-N 3.44Å; A312-L367 CarbonylContact C-O 3.54Å; A312-L367 WeakPolarHBondContact CA-O 3.47Å; A312-L367 HydrophobicContact CB-CB 4Å; A312-L367 HydrophobicContact CB-CD1 4.27Å
313	L	98.6	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.1	167.5	-177.3	62.3	0	0	0	109.3	S336 T338 V356 V358 V361 V365 L367 V368 I369	L313-S336 WeakPolarHBondContact CA-O 3.37Å; L313-T338 HydrophobicContact CD1-CG2 3.63Å; L313-T338 HydrophobicContact CD2-CG2 4.43Å; L313-T338 HydrophobicContact CG-CG2 4.25Å; L313-V356 HydrophobicContact CD1-CG2 4.02Å; L313-V358 HydrophobicContact CD2-CB 4.42Å; L313-V358 HydrophobicContact CD2-CG1 4.09Å; L313-V358 HydrophobicContact CD2-CG2 4.37Å; L313-V361 HydrophobicContact CD1-CG2 3.75Å; L313-V361 HydrophobicContact CD2-CG2 4.08Å; L313-V361 HydrophobicContact CG-CG2 4.39Å; L313-V365 HydrophobicContact CB-CB 4.49Å; L313-V365 HydrophobicContact CB-CG1 4.17Å; L313-V365 HydrophobicContact CB-CG2 4.16Å; L313-L367 PolarHBondContact N-O 3.26Å; L313-V368 HydrophobicContact CB-CG2 4.31Å; L313-V368 HydrophobicContact CD2-CG1 4.5Å; L313-V368 WeakPolarHBondContact O-CA 3.48Å; L313-I369 PolarHBondContact O-N 3.01Å
314	I	98.3	Very high	95.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.6	174.6	-61.5	175.2	0	0	0	108.3	V324 A325 I335 S336 V337 T338 I369 C371	I314-V324 HydrophobicContact CD1-CB 4.48Å; I314-V324 HydrophobicContact CD1-CG1 3.81Å; I314-V324 HydrophobicContact CG1-CG1 4.23Å; I314-A325 VanDerWaalsContact CD1-CA 3.41Å; I314-A325 HydrophobicContact CD1-CB 3.58Å; I314-I335 HydrophobicContact CD1-CD1 4.44Å; I314-I335 HydrophobicContact CD1-CG2 3.68Å; I314-I335 HydrophobicContact CG1-CG2 4.21Å; I314-S336 PolarHBondContact N-O 2.78Å; I314-V337 CarbonylContact O-C 3.58Å; I314-V337 VanDerWaalsContact O-CA 3.29Å; I314-V337 WeakPolarHBondContact O-CA 3.46Å; I314-T338 PolarHBondContact O-N 2.89Å; I314-I369 WeakPolarHBondContact CA-O 3.48Å; I314-C371 HydrophobicContact CG2-CB 4.31Å
315	C	98.2	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.2	178.2	-55.3	0	0	0	0	110.5	T338 I369 T370 C371 T372 V377	C315-T338 VanDerWaalsContact CA-OG1 3.28Å; C315-T338 WeakPolarHBondContact CA-OG1 3.45Å; C315-T338 WeakPolarHBondContact CB-OG1 3.48Å; C315-I369 PolarHBondContact N-O 3.46Å; C315-T370 HydrophobicContact CB-CG2 4.45Å; C315-C371 CarbonylContact O-C 3.56Å; C315-C371 WeakPolarHBondContact O-CA 3.3Å; C315-C371 WeakPolarHBondContact O-CB 3.45Å; C315-C371 PolarHBondContact O-N 3.3Å; C315-T372 VanDerWaalsContact O-CG2 3.27Å; C315-T372 WeakPolarHBondContact O-CG2 3.39Å; C315-T372 PolarHBondContact O-N 2.89Å; C315-V377 HydrophobicContact CB-CG1 3.65Å
316	G	97.3	Very high	96.1	Very high	6 Å²	6	29.3 Å²	29.3	6%	0.062	17%	0.174	C	C	.	.			trans	94.2	135.3	-173.9	0	0	0	0	0	112.9	G321 T338	G316-G321 WeakPolarHBondContact O-CA 3.28Å; G316-T338 WeakPolarHBondContact CA-O 3.21Å; G316-T338 PolarHBondContact N-O 2.98Å
317	Y	97.1	Very high	96.1	Very high	8 Å²	8	22.5 Å²	22.5	3%	0.031	14%	0.141	C	C	.	.			trans	-128.7	32.7	-175.9	-155.1	-107.1	0	0	0	112.9	K322 A325 V337 E339 C344 Q347 A348 F353	Y317-K322 HydrophobicContact CD1-CG 3.87Å; Y317-K322 HydrophobicContact CE1-CD 4.44Å; Y317-K322 HydrophobicContact CE1-CG 3.59Å; Y317-K322 HydrophobicContact CE2-CG 4.28Å; Y317-K322 HydrophobicContact CG-CG 4.34Å; Y317-K322 PolarHBondContact O-NZ 2.68Å; Y317-A325 HydrophobicContact CE2-CB 3.72Å; Y317-V337 HydrophobicContact CD2-CB 4.48Å; Y317-V337 HydrophobicContact CD2-CG1 3.79Å; Y317-V337 HydrophobicContact CD2-CG2 3.81Å; Y317-V337 HydrophobicContact CE2-CG2 4.09Å; Y317-V337 HydrophobicContact CG-CG1 3.95Å; Y317-E339 WeakPolarHBondContact CA-OE1 3.43Å; Y317-E339 PolarHBondContact N-OE1 3.02Å; Y317-C344 WeakPolarHBondContact CD1-O 3.43Å; Y317-Q347 HydrophobicContact CD1-CB 4.48Å; Y317-Q347 HydrophobicContact CE1-CB 4.28Å; Y317-A348 HydrophobicContact CD1-CB 3.58Å; Y317-A348 HydrophobicContact CD2-CB 4.15Å; Y317-A348 VanDerWaalsContact CE1-CA 3.42Å; Y317-A348 HydrophobicContact CE1-CB 3.69Å; Y317-A348 HydrophobicContact CE2-CB 4.25Å; Y317-A348 HydrophobicContact CG-CB 3.82Å; Y317-F353 AromaticContact CE2-CD2 3.91Å; Y317-F353 HydrophobicContact CE2-CD2 3.91Å; Y317-F353 HydrophobicContact CE2-CE2 4.07Å; Y317-F353 AromaticContact CZ-CD2 3.86Å; Y317-F353 AromaticContact CZ-CE2 3.98Å; Y317-F353 WeakPolarHBondContact OH-CD2 3.31Å; Y317-F353 WeakPolarHBondContact OH-CE2 3.49Å
318	G	93.6	Very high	96.2	Very high	29 Å²	29	22.3 Å²	22.3	30%	0.299	14%	0.14	S	C	.	.	S	Bend	trans	-67.2	-162.5	161.5	0	0	0	0	0	112.3	T320 G321 K322	G318-T320 PolarHBondContact O-N 3.41Å; G318-G321 PolarHBondContact O-N 2.92Å; G318-K322 WeakPolarHBondContact O-CB 3.42Å; G318-K322 VanDerWaalsContact O-CG 3.3Å; G318-K322 WeakPolarHBondContact O-CG 3.28Å; G318-K322 PolarHBondContact O-N 3.36Å
319	D	91.1	Very high	96.3	Very high	57 Å²	57	25.8 Å²	25.8	31%	0.305	15%	0.147	S	C	.	.	H	α-helix	trans	-56.6	-46.2	-178.8	-80.8	-35.3	0	0	0	113.5	R284 V288 K322 A323	R284-D319 IonicContact NH1-OD1 3.16Å; R284-D319 PolarHBondContact NH1-OD1 2.97Å; V288-D319 HydrophobicContact CG2-CB 3.79Å; D319-K322 PolarHBondContact O-N 3.11Å; D319-A323 WeakPolarHBondContact O-CB 3.39Å; D319-A323 PolarHBondContact O-N 2.56Å
320	T	92.2	Very high	96.2	Very high	11 Å²	11	28.1 Å²	28.1	7%	0.067	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-47.3	175.1	-58.1	0	0	0	0	112.1	L291 G318 K322 A323 V324 C371 M395	L291-T320 HydrophobicContact CD1-CG2 3.56Å; L291-T320 WeakPolarHBondContact CD1-OG1 3.28Å; G318-T320 PolarHBondContact O-N 3.41Å; T320-K322 PolarHBondContact O-N 3.16Å; T320-A323 PolarHBondContact O-N 3.5Å; T320-V324 HydrophobicContact CG2-CG2 4.46Å; T320-V324 WeakPolarHBondContact O-CG2 3.32Å; T320-V324 PolarHBondContact O-N 2.98Å; T320-C371 HydrophobicContact CG2-CB 3.91Å; T320-M395 HydrophobicContact CG2-CB 4.01Å; T320-M395 WeakPolarHBondContact CG2-O 3.4Å
321	G	95.8	Very high	96.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-42.2	179.8	0	0	0	0	0	112.5	G316 G318 V324 A325	G316-G321 WeakPolarHBondContact O-CA 3.28Å; G318-G321 PolarHBondContact O-N 2.92Å; G321-V324 PolarHBondContact O-N 2.76Å; G321-A325 WeakPolarHBondContact O-CB 3.25Å; G321-A325 PolarHBondContact O-N 3.07Å
322	K	95.7	Very high	96.1	Very high	54 Å²	54	29.1 Å²	29.1	24%	0.235	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-44.4	173.6	-72.9	174.8	176.5	82.3	0	111.7	Y317 G318 D319 T320 K326	Y317-K322 HydrophobicContact CD1-CG 3.87Å; Y317-K322 HydrophobicContact CE1-CD 4.44Å; Y317-K322 HydrophobicContact CE1-CG 3.59Å; Y317-K322 HydrophobicContact CE2-CG 4.28Å; Y317-K322 HydrophobicContact CG-CG 4.34Å; Y317-K322 PolarHBondContact O-NZ 2.68Å; G318-K322 WeakPolarHBondContact O-CB 3.42Å; G318-K322 VanDerWaalsContact O-CG 3.3Å; G318-K322 WeakPolarHBondContact O-CG 3.28Å; G318-K322 PolarHBondContact O-N 3.36Å; D319-K322 PolarHBondContact O-N 3.11Å; T320-K322 PolarHBondContact O-N 3.16Å; K322-K326 VanDerWaalsContact O-CB 3.31Å; K322-K326 WeakPolarHBondContact O-CB 3.47Å; K322-K326 PolarHBondContact O-N 3.34Å
323	A	94.7	Very high	96.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-49.3	178.8	0	0	0	0	0	112	V288 L291 R292 D319 T320 K326 A327	V288-A323 HydrophobicContact CG1-CB 4.18Å; V288-A323 WeakPolarHBondContact O-CB 3.45Å; L291-A323 HydrophobicContact CB-CB 4.27Å; R292-A323 HydrophobicContact CB-CB 4.42Å; D319-A323 WeakPolarHBondContact O-CB 3.39Å; D319-A323 PolarHBondContact O-N 2.56Å; T320-A323 PolarHBondContact O-N 3.5Å; A323-K326 PolarHBondContact O-N 2.91Å; A323-A327 WeakPolarHBondContact O-CB 3.42Å; A323-A327 PolarHBondContact O-N 3.25Å
324	V	96.2	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-45.7	178	170.9	0	0	0	0	111	I295 I314 T320 G321 K326 A327 L328 I369 M395	I295-V324 HydrophobicContact CB-CG2 4.33Å; I295-V324 HydrophobicContact CG1-CG1 4.17Å; I295-V324 HydrophobicContact CG1-CG2 4.47Å; I295-V324 HydrophobicContact CG2-CG2 4.49Å; I314-V324 HydrophobicContact CD1-CB 4.48Å; I314-V324 HydrophobicContact CD1-CG1 3.81Å; I314-V324 HydrophobicContact CG1-CG1 4.23Å; T320-V324 HydrophobicContact CG2-CG2 4.46Å; T320-V324 WeakPolarHBondContact O-CG2 3.32Å; T320-V324 PolarHBondContact O-N 2.98Å; G321-V324 PolarHBondContact O-N 2.76Å; V324-K326 PolarHBondContact O-N 3.16Å; V324-A327 PolarHBondContact O-N 3.34Å; V324-L328 HydrophobicContact CG1-CD1 3.91Å; V324-L328 HydrophobicContact CG1-CG 4.42Å; V324-L328 WeakPolarHBondContact O-CG 3.16Å; V324-L328 PolarHBondContact O-N 3.46Å; V324-I369 HydrophobicContact CG1-CD1 4Å; V324-I369 HydrophobicContact CG1-CG2 4.23Å; V324-M395 HydrophobicContact CG2-CB 4.09Å; V324-M395 HydrophobicContact CG2-CE 4.33Å; V324-M395 HydrophobicContact CG2-CG 3.95Å
325	A	97.4	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-43.8	179.5	0	0	0	0	0	111.8	I314 Y317 G321 K329 I335 F353	I314-A325 VanDerWaalsContact CD1-CA 3.41Å; I314-A325 HydrophobicContact CD1-CB 3.58Å; Y317-A325 HydrophobicContact CE2-CB 3.72Å; G321-A325 WeakPolarHBondContact O-CB 3.25Å; G321-A325 PolarHBondContact O-N 3.07Å; A325-K329 WeakPolarHBondContact O-CB 3.18Å; A325-K329 PolarHBondContact O-N 3.4Å; A325-I335 HydrophobicContact CB-CD1 4.46Å; A325-I335 HydrophobicContact CB-CG2 4.49Å; A325-I335 WeakPolarHBondContact O-CD1 3.47Å; A325-F353 HydrophobicContact CB-CE1 4.5Å; A325-F353 HydrophobicContact CB-CE2 3.93Å; A325-F353 HydrophobicContact CB-CZ 3.83Å
326	K	95.8	Very high	96.1	Very high	124 Å²	124	36.1 Å²	36.1	54%	0.539	21%	0.207	S	C	.	.	H	α-helix	trans	-63.2	-44.4	177.1	-170.7	169.5	-176.1	170.5	0	111.9	K322 A323 V324 K329 C330	K322-K326 VanDerWaalsContact O-CB 3.31Å; K322-K326 WeakPolarHBondContact O-CB 3.47Å; K322-K326 PolarHBondContact O-N 3.34Å; A323-K326 PolarHBondContact O-N 2.91Å; V324-K326 PolarHBondContact O-N 3.16Å; K326-K329 PolarHBondContact O-N 3Å; K326-C330 PolarHBondContact O-N 3Å; K326-C330 PolarHBondContact O-SG 3.18Å; K326-C330 VanDerWaalsContact O-SG 3.36Å
327	A	96	Very high	96.1	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-50.5	178	0	0	0	0	0	112.1	R292 I295 I296 A323 V324 C330	R292-A327 HydrophobicContact CB-CB 4.47Å; R292-A327 HydrophobicContact CG-CB 3.74Å; R292-A327 WeakPolarHBondContact O-CB 3.3Å; I295-A327 HydrophobicContact CG2-CB 3.65Å; I296-A327 HydrophobicContact CD1-CB 4.16Å; I296-A327 HydrophobicContact CG1-CB 4.21Å; A323-A327 WeakPolarHBondContact O-CB 3.42Å; A323-A327 PolarHBondContact O-N 3.25Å; V324-A327 PolarHBondContact O-N 3.34Å; A327-C330 WeakPolarHBondContact O-CB 3.31Å; A327-C330 PolarHBondContact O-N 3.1Å
328	L	97.3	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.4	-33.1	-177.3	-65.5	-178.1	0	0	0	112.4	I295 L299 L307 A312 V324 C330 L331 G332 V333 I335 I369	I295-L328 HydrophobicContact CG1-CD2 4.41Å; L299-L328 HydrophobicContact CD1-CD2 3.95Å; L307-L328 HydrophobicContact CD1-CD2 4.21Å; A312-L328 HydrophobicContact CB-CD1 4.43Å; V324-L328 HydrophobicContact CG1-CD1 3.91Å; V324-L328 HydrophobicContact CG1-CG 4.42Å; V324-L328 WeakPolarHBondContact O-CG 3.16Å; V324-L328 PolarHBondContact O-N 3.46Å; L328-C330 VanDerWaalsContact C-N 3.3Å; L328-C330 PolarHBondContact O-N 3.07Å; L328-L331 PolarHBondContact O-N 3.39Å; L328-L331 VanDerWaalsContact O-N 3.09Å; L328-G332 PolarHBondContact O-N 2.91Å; L328-V333 HydrophobicContact CB-CB 3.98Å; L328-V333 HydrophobicContact CB-CG1 4.39Å; L328-V333 HydrophobicContact CB-CG2 3.97Å; L328-V333 HydrophobicContact CD2-CG2 4.3Å; L328-V333 WeakPolarHBondContact O-CB 3.42Å; L328-V333 WeakPolarHBondContact O-CG2 3.5Å; L328-V333 PolarHBondContact O-N 3.5Å; L328-V333 VanDerWaalsContact O-N 3.13Å; L328-I335 HydrophobicContact CB-CD1 3.82Å; L328-I335 HydrophobicContact CB-CG1 4.48Å; L328-I369 HydrophobicContact CD1-CD1 3.44Å; L328-I369 VanDerWaalsContact CD1-CD1 3.44Å
329	K	96.6	Very high	96.4	Very high	101 Å²	101	37.1 Å²	37.1	44%	0.439	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-40.9	173.7	-174.3	174.2	-178.6	175.9	0	111.1	A325 K326 L331 G332 I335 E351 F353	A325-K329 WeakPolarHBondContact O-CB 3.18Å; A325-K329 PolarHBondContact O-N 3.4Å; K326-K329 PolarHBondContact O-N 3Å; K329-L331 PolarHBondContact O-N 2.87Å; K329-G332 PolarHBondContact O-N 3.11Å; K329-I335 HydrophobicContact CB-CD1 3.99Å; K329-E351 PolarHBondContact NZ-O 3.13Å; K329-F353 HydrophobicContact CB-CE1 4.45Å; K329-F353 HydrophobicContact CB-CZ 4.38Å; K329-F353 HydrophobicContact CD-CE1 3.89Å; K329-F353 HydrophobicContact CD-CZ 3.69Å
330	C	95.6	Very high	96.7	Very high	108 Å²	108	41.8 Å²	41.8	73%	0.73	23%	0.227	S	C	*	.	H	α-helix	trans	-63.4	-24.7	176.1	-70.3	0	0	0	0	113.5	K326 A327 L328 G332	K326-C330 PolarHBondContact O-N 3Å; K326-C330 PolarHBondContact O-SG 3.18Å; K326-C330 VanDerWaalsContact O-SG 3.36Å; A327-C330 WeakPolarHBondContact O-CB 3.31Å; A327-C330 PolarHBondContact O-N 3.1Å; L328-C330 VanDerWaalsContact C-N 3.3Å; L328-C330 PolarHBondContact O-N 3.07Å; C330-G332 VanDerWaalsContact C-N 3.34Å
331	L	96.2	Very high	97	Very high	66 Å²	66	44.4 Å²	44.4	35%	0.346	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	2	175.7	-63.9	179.8	0	0	0	113.5	I296 L307 G308 L328 K329 V333	I296-L331 HydrophobicContact CD1-CD1 3.99Å; I296-L331 HydrophobicContact CD1-CG 4.36Å; I296-L331 HydrophobicContact CG1-CD1 3.93Å; I296-L331 HydrophobicContact CG2-CD1 4.08Å; L307-L331 HydrophobicContact CB-CB 4.5Å; L307-L331 HydrophobicContact CB-CD1 4.27Å; L307-L331 HydrophobicContact CD1-CD1 3.58Å; G308-L331 WeakPolarHBondContact CA-O 3.36Å; L328-L331 PolarHBondContact O-N 3.39Å; L328-L331 VanDerWaalsContact O-N 3.09Å; K329-L331 PolarHBondContact O-N 2.87Å; L331-V333 HydrophobicContact CB-CG2 4.37Å
332	G	96.7	Very high	97.1	Very high	42 Å²	42	49.3 Å²	49.3	43%	0.433	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	27.4	-178.4	0	0	0	0	0	114	G309 L328 K329 C330	G309-G332 PolarHBondContact N-O 3.21Å; L328-G332 PolarHBondContact O-N 2.91Å; K329-G332 PolarHBondContact O-N 3.11Å; C330-G332 VanDerWaalsContact C-N 3.34Å
333	V	97.9	Very high	97.2	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.048	29%	0.289	C	S	.	.			trans	-80.1	136.3	173.2	-176.7	0	0	0	0	109.8	L307 K310 A312 L328 L331 I335	L307-V333 HydrophobicContact CB-CG2 3.95Å; L307-V333 WeakPolarHBondContact O-CG2 3.32Å; K310-V333 WeakPolarHBondContact O-CG1 3.44Å; A312-V333 HydrophobicContact CB-CG1 3.53Å; L328-V333 HydrophobicContact CB-CB 3.98Å; L328-V333 HydrophobicContact CB-CG1 4.39Å; L328-V333 HydrophobicContact CB-CG2 3.97Å; L328-V333 HydrophobicContact CD2-CG2 4.3Å; L328-V333 WeakPolarHBondContact O-CB 3.42Å; L328-V333 WeakPolarHBondContact O-CG2 3.5Å; L328-V333 PolarHBondContact O-N 3.5Å; L328-V333 VanDerWaalsContact O-N 3.13Å; L331-V333 HydrophobicContact CB-CG2 4.37Å; V333-I335 HydrophobicContact CB-CG1 4.38Å; V333-I335 HydrophobicContact CG1-CG1 4.15Å; V333-I335 PolarHBondContact O-N 3.17Å
334	N	97.7	Very high	97.4	Very high	105 Å²	105	52.9 Å²	52.9	56%	0.561	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	112.4	174.1	-64.4	-48.1	0	0	0	109.9	K310 S311 A312	K310-N334 PolarHBondContact O-N 3.27Å; S311-N334 CarbonylContact C-O 3.48Å; S311-N334 WeakPolarHBondContact CA-O 3.35Å; A312-N334 PolarHBondContact N-O 3.45Å
335	I	98.2	Very high	97.5	Very high	17 Å²	17	53.8 Å²	53.8	9%	0.087	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.1	-167.8	-64.8	164.9	0	0	0	111.7	A312 I314 A325 L328 K329 V333 V337 F353	A312-I335 WeakPolarHBondContact O-CA 3.29Å; I314-I335 HydrophobicContact CD1-CD1 4.44Å; I314-I335 HydrophobicContact CD1-CG2 3.68Å; I314-I335 HydrophobicContact CG1-CG2 4.21Å; A325-I335 HydrophobicContact CB-CD1 4.46Å; A325-I335 HydrophobicContact CB-CG2 4.49Å; A325-I335 WeakPolarHBondContact O-CD1 3.47Å; L328-I335 HydrophobicContact CB-CD1 3.82Å; L328-I335 HydrophobicContact CB-CG1 4.48Å; K329-I335 HydrophobicContact CB-CD1 3.99Å; V333-I335 HydrophobicContact CB-CG1 4.38Å; V333-I335 HydrophobicContact CG1-CG1 4.15Å; V333-I335 PolarHBondContact O-N 3.17Å; I335-V337 HydrophobicContact CG2-CG2 4.1Å; I335-F353 HydrophobicContact CB-CD1 3.71Å; I335-F353 HydrophobicContact CB-CE1 3.75Å; I335-F353 HydrophobicContact CD1-CE1 3.82Å; I335-F353 HydrophobicContact CD1-CZ 4.38Å; I335-F353 HydrophobicContact CG1-CE1 4.38Å; I335-F353 HydrophobicContact CG2-CD1 3.65Å; I335-F353 HydrophobicContact CG2-CE1 3.86Å; I335-F353 HydrophobicContact CG2-CG 4.33Å
336	S	98.5	Very high	97.5	Very high	18 Å²	18	59.1 Å²	59.1	13%	0.126	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.1	164.3	-62.9	0	0	0	0	109.4	A312 L313 I314 R354	A312-S336 PolarHBondContact O-N 3.44Å; L313-S336 WeakPolarHBondContact CA-O 3.37Å; I314-S336 PolarHBondContact N-O 2.78Å; S336-R354 WeakPolarHBondContact CA-O 3.47Å
337	V	98.6	Very high	97.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.6	-174.7	173.3	0	0	0	0	110.1	I314 Y317 I335 A348 F353 R354 V355 V356	I314-V337 CarbonylContact O-C 3.58Å; I314-V337 VanDerWaalsContact O-CA 3.29Å; I314-V337 WeakPolarHBondContact O-CA 3.46Å; Y317-V337 HydrophobicContact CD2-CB 4.48Å; Y317-V337 HydrophobicContact CD2-CG1 3.79Å; Y317-V337 HydrophobicContact CD2-CG2 3.81Å; Y317-V337 HydrophobicContact CE2-CG2 4.09Å; Y317-V337 HydrophobicContact CG-CG1 3.95Å; I335-V337 HydrophobicContact CG2-CG2 4.1Å; V337-A348 HydrophobicContact CB-CB 4.31Å; V337-A348 HydrophobicContact CG1-CB 4.05Å; V337-A348 HydrophobicContact CG2-CB 4.42Å; V337-F353 HydrophobicContact CG2-CB 3.88Å; V337-F353 HydrophobicContact CG2-CG 4.22Å; V337-R354 PolarHBondContact N-O 3.03Å; V337-V355 CarbonylContact O-C 3.6Å; V337-V355 VanDerWaalsContact O-CA 3.29Å; V337-V355 WeakPolarHBondContact O-CA 3.17Å; V337-V356 PolarHBondContact O-N 3.4Å
338	T	98.5	Very high	97.8	Very high	17 Å²	17	57 Å²	57	10%	0.104	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.4	164.7	78.9	0	0	0	0	110	L313 I314 C315 G316 V356 V358	L313-T338 HydrophobicContact CD1-CG2 3.63Å; L313-T338 HydrophobicContact CD2-CG2 4.43Å; L313-T338 HydrophobicContact CG-CG2 4.25Å; I314-T338 PolarHBondContact O-N 2.89Å; C315-T338 VanDerWaalsContact CA-OG1 3.28Å; C315-T338 WeakPolarHBondContact CA-OG1 3.45Å; C315-T338 WeakPolarHBondContact CB-OG1 3.48Å; G316-T338 WeakPolarHBondContact CA-O 3.21Å; G316-T338 PolarHBondContact N-O 2.98Å; T338-V356 WeakPolarHBondContact CB-O 3.18Å; T338-V356 VanDerWaalsContact CG2-O 3.29Å; T338-V356 WeakPolarHBondContact CG2-O 3.5Å; T338-V358 HydrophobicContact CG2-CG2 3.89Å
339	E	98.2	Very high	97.8	Very high	46 Å²	46	60.1 Å²	60.1	22%	0.215	34%	0.342	C	S	.	.			trans	-148.9	148.8	177.9	-106.4	-61.7	172	0	0	111.6	Y317 D341 C344 A345	Y317-E339 WeakPolarHBondContact CA-OE1 3.43Å; Y317-E339 PolarHBondContact N-OE1 3.02Å; E339-D341 PolarHBondContact OE2-N 3.43Å; E339-C344 HydrophobicContact CG-CB 3.79Å; E339-C344 WeakPolarHBondContact OE1-CB 3.39Å; E339-A345 HydrophobicContact CB-CB 3.86Å
340	I	97.3	Very high	97.9	Very high	156 Å²	156	62.7 Å²	62.7	80%	0.8	36%	0.357	S	S	*	.	S	Bend	trans	-102	-27.8	169.7	63	171.5	0	0	0	111.3
341	D	97.8	Very high	98	Very high	66 Å²	66	62.8 Å²	62.8	35%	0.353	35%	0.347	S	S	.	.	S	Bend	trans	-86.2	118.4	179.7	-177.7	-23.4	0	0	0	109.6	E339 I343 C344 A345	E339-D341 PolarHBondContact OE2-N 3.43Å; D341-I343 PolarHBondContact O-N 3.4Å; D341-I343 WeakPolarHBondContact OD1-CB 3.4Å; D341-I343 PolarHBondContact OD1-N 2.9Å; D341-C344 HydrophobicContact CB-CB 4.15Å; D341-C344 PolarHBondContact O-N 2.67Å; D341-A345 WeakPolarHBondContact O-CB 3.11Å; D341-A345 PolarHBondContact O-N 2.97Å
342	P	98.3	Very high	98	Very high	102 Å²	102	62.8 Å²	62.8	66%	0.662	36%	0.363	S	S	*	.	H	α-helix	trans	-63.2	-27.4	-178.2	26.5	-34.9	0	0	0	113.5	L346	P342-L346 VanDerWaalsContact O-CB 3.28Å; P342-L346 WeakPolarHBondContact O-CB 3.47Å; P342-L346 PolarHBondContact O-N 3.41Å
343	I	98.3	Very high	98.1	Very high	113 Å²	113	61.5 Å²	61.5	58%	0.579	35%	0.345	S	S	*	.	H	α-helix	trans	-68.6	-48.3	176.8	-59.5	174.2	0	0	0	109.2	D341 L346 Q347	D341-I343 PolarHBondContact O-N 3.4Å; D341-I343 WeakPolarHBondContact OD1-CB 3.4Å; D341-I343 PolarHBondContact OD1-N 2.9Å; I343-L346 PolarHBondContact O-N 3Å; I343-Q347 WeakPolarHBondContact O-CG 3.24Å; I343-Q347 PolarHBondContact O-N 3.21Å
344	C	98	Very high	98.1	Very high	18 Å²	18	69.2 Å²	69.2	12%	0.122	37%	0.374	C	S	.	.	H	α-helix	trans	-66.3	-39.5	178	-67.8	0	0	0	0	111.5	Y317 E339 D341 Q347 A348	Y317-C344 WeakPolarHBondContact CD1-O 3.43Å; E339-C344 HydrophobicContact CG-CB 3.79Å; E339-C344 WeakPolarHBondContact OE1-CB 3.39Å; D341-C344 HydrophobicContact CB-CB 4.15Å; D341-C344 PolarHBondContact O-N 2.67Å; C344-Q347 PolarHBondContact O-N 3.19Å; C344-A348 PolarHBondContact O-N 3.01Å
345	A	98.5	Very high	98.1	Very high	19 Å²	19	66.7 Å²	66.7	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-46.4	174.5	0	0	0	0	0	112.1	E339 D341 Q347 A348 C349 V355	E339-A345 HydrophobicContact CB-CB 3.86Å; D341-A345 WeakPolarHBondContact O-CB 3.11Å; D341-A345 PolarHBondContact O-N 2.97Å; A345-Q347 VanDerWaalsContact C-N 3.32Å; A345-Q347 PolarHBondContact O-N 3Å; A345-A348 WeakPolarHBondContact O-CB 3.42Å; A345-A348 PolarHBondContact O-N 3.47Å; A345-A348 VanDerWaalsContact O-N 3.16Å; A345-C349 PolarHBondContact O-N 3.43Å; A345-V355 HydrophobicContact CB-CG1 4.24Å; A345-V355 HydrophobicContact CB-CG2 4.42Å
346	L	98.6	Very high	98.2	Very high	111 Å²	111	66.5 Å²	66.5	58%	0.581	36%	0.362	S	S	*	.	H	α-helix	trans	-60.3	-43.5	176.9	-179.4	60.2	0	0	0	111	P342 I343 A348 C349 M350	P342-L346 VanDerWaalsContact O-CB 3.28Å; P342-L346 WeakPolarHBondContact O-CB 3.47Å; P342-L346 PolarHBondContact O-N 3.41Å; I343-L346 PolarHBondContact O-N 3Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 2.94Å; L346-C349 WeakPolarHBondContact O-CB 3.31Å; L346-C349 PolarHBondContact O-N 2.83Å; L346-M350 HydrophobicContact CD1-CG 4.42Å; L346-M350 VanDerWaalsContact O-CG 3.31Å; L346-M350 WeakPolarHBondContact O-CG 3.23Å; L346-M350 PolarHBondContact O-N 3.19Å
347	Q	98.3	Very high	98.1	Very high	83 Å²	83	73.3 Å²	73.3	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-59.4	-40.7	174.8	-72.3	177.1	-30.7	0	0	112.6	Y317 I343 C344 A345 M350 E351	Y317-Q347 HydrophobicContact CD1-CB 4.48Å; Y317-Q347 HydrophobicContact CE1-CB 4.28Å; I343-Q347 WeakPolarHBondContact O-CG 3.24Å; I343-Q347 PolarHBondContact O-N 3.21Å; C344-Q347 PolarHBondContact O-N 3.19Å; A345-Q347 VanDerWaalsContact C-N 3.32Å; A345-Q347 PolarHBondContact O-N 3Å; Q347-M350 PolarHBondContact O-N 2.71Å; Q347-E351 WeakPolarHBondContact O-CG 3.38Å; Q347-E351 PolarHBondContact O-N 2.95Å; Q347-E351 VanDerWaalsContact O-N 3.09Å
348	A	98.4	Very high	98.1	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-61.4	-44.5	175.7	0	0	0	0	0	111.8	Y317 V337 C344 A345 L346 M350 E351 G352 F353 V355	Y317-A348 HydrophobicContact CD1-CB 3.58Å; Y317-A348 HydrophobicContact CD2-CB 4.15Å; Y317-A348 VanDerWaalsContact CE1-CA 3.42Å; Y317-A348 HydrophobicContact CE1-CB 3.69Å; Y317-A348 HydrophobicContact CE2-CB 4.25Å; Y317-A348 HydrophobicContact CG-CB 3.82Å; V337-A348 HydrophobicContact CB-CB 4.31Å; V337-A348 HydrophobicContact CG1-CB 4.05Å; V337-A348 HydrophobicContact CG2-CB 4.42Å; C344-A348 PolarHBondContact O-N 3.01Å; A345-A348 WeakPolarHBondContact O-CB 3.42Å; A345-A348 PolarHBondContact O-N 3.47Å; A345-A348 VanDerWaalsContact O-N 3.16Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 2.94Å; A348-M350 PolarHBondContact O-N 3.49Å; A348-E351 PolarHBondContact O-N 3.44Å; A348-G352 PolarHBondContact O-N 2.71Å; A348-F353 HydrophobicContact CB-CB 4.41Å; A348-F353 WeakPolarHBondContact O-CB 3.07Å; A348-F353 PolarHBondContact O-N 3.2Å; A348-V355 HydrophobicContact CB-CG2 3.78Å
349	C	98.3	Very high	98	Very high	66 Å²	66	78.5 Å²	78.5	45%	0.446	41%	0.409	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.1	-69.6	0	0	0	0	112	A345 L346 E351 G352 V355	A345-C349 PolarHBondContact O-N 3.43Å; L346-C349 WeakPolarHBondContact O-CB 3.31Å; L346-C349 PolarHBondContact O-N 2.83Å; C349-E351 PolarHBondContact O-N 3.11Å; C349-G352 PolarHBondContact O-N 2.94Å; C349-V355 VanDerWaalsContact SG-CG2 3.53Å
350	M	98	Very high	98	Very high	155 Å²	155	80.5 Å²	80.5	76%	0.764	42%	0.418	S	S	*	.	H	α-helix	trans	-66.5	-25.1	178.9	-64.6	-50.2	-63.3	0	0	113.3	L346 Q347 A348 G352	L346-M350 HydrophobicContact CD1-CG 4.42Å; L346-M350 VanDerWaalsContact O-CG 3.31Å; L346-M350 WeakPolarHBondContact O-CG 3.23Å; L346-M350 PolarHBondContact O-N 3.19Å; Q347-M350 PolarHBondContact O-N 2.71Å; A348-M350 PolarHBondContact O-N 3.49Å; M350-G352 VanDerWaalsContact C-N 3.26Å
351	E	97.6	Very high	98	Very high	110 Å²	110	73.7 Å²	73.7	51%	0.514	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.5	172.8	-71.2	-71.2	168.5	0	0	113.4	K329 Q347 A348 C349 F353	K329-E351 PolarHBondContact NZ-O 3.13Å; Q347-E351 WeakPolarHBondContact O-CG 3.38Å; Q347-E351 PolarHBondContact O-N 2.95Å; Q347-E351 VanDerWaalsContact O-N 3.09Å; A348-E351 PolarHBondContact O-N 3.44Å; C349-E351 PolarHBondContact O-N 3.11Å; E351-F353 HydrophobicContact CB-CD2 3.72Å; E351-F353 HydrophobicContact CB-CE2 3.71Å
352	G	97.3	Very high	97.9	Very high	66 Å²	66	70.8 Å²	70.8	68%	0.68	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	14.5	178.1	0	0	0	0	0	114.7	A348 C349 M350	A348-G352 PolarHBondContact O-N 2.71Å; C349-G352 PolarHBondContact O-N 2.94Å; M350-G352 VanDerWaalsContact C-N 3.26Å
353	F	98.1	Very high	97.9	Very high	15 Å²	15	70 Å²	70	7%	0.066	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-88.1	142.6	175.9	-58.2	-61.2	0	0	0	111.4	Y317 A325 K329 I335 V337 A348 E351 V355	Y317-F353 AromaticContact CE2-CD2 3.91Å; Y317-F353 HydrophobicContact CE2-CD2 3.91Å; Y317-F353 HydrophobicContact CE2-CE2 4.07Å; Y317-F353 AromaticContact CZ-CD2 3.86Å; Y317-F353 AromaticContact CZ-CE2 3.98Å; Y317-F353 WeakPolarHBondContact OH-CD2 3.31Å; Y317-F353 WeakPolarHBondContact OH-CE2 3.49Å; A325-F353 HydrophobicContact CB-CE1 4.5Å; A325-F353 HydrophobicContact CB-CE2 3.93Å; A325-F353 HydrophobicContact CB-CZ 3.83Å; K329-F353 HydrophobicContact CB-CE1 4.45Å; K329-F353 HydrophobicContact CB-CZ 4.38Å; K329-F353 HydrophobicContact CD-CE1 3.89Å; K329-F353 HydrophobicContact CD-CZ 3.69Å; I335-F353 HydrophobicContact CB-CD1 3.71Å; I335-F353 HydrophobicContact CB-CE1 3.75Å; I335-F353 HydrophobicContact CD1-CE1 3.82Å; I335-F353 HydrophobicContact CD1-CZ 4.38Å; I335-F353 HydrophobicContact CG1-CE1 4.38Å; I335-F353 HydrophobicContact CG2-CD1 3.65Å; I335-F353 HydrophobicContact CG2-CE1 3.86Å; I335-F353 HydrophobicContact CG2-CG 4.33Å; V337-F353 HydrophobicContact CG2-CB 3.88Å; V337-F353 HydrophobicContact CG2-CG 4.22Å; A348-F353 HydrophobicContact CB-CB 4.41Å; A348-F353 WeakPolarHBondContact O-CB 3.07Å; A348-F353 PolarHBondContact O-N 3.2Å; E351-F353 HydrophobicContact CB-CD2 3.72Å; E351-F353 HydrophobicContact CB-CE2 3.71Å; F353-V355 PolarHBondContact O-N 3.42Å
354	R	97.8	Very high	97.8	Very high	170 Å²	170	70.4 Å²	70.4	64%	0.642	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.4	171.6	-68.7	179.1	62.5	-170.2	-2.9	109.2	S336 V337 V356	S336-R354 WeakPolarHBondContact CA-O 3.47Å; V337-R354 PolarHBondContact N-O 3.03Å; R354-V356 HydrophobicContact CB-CG1 4.21Å
355	V	98.5	Very high	97.8	Very high	52 Å²	52	69.8 Å²	69.8	32%	0.315	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.9	169	-177.9	0	0	0	0	108.9	V337 A345 A348 C349 F353	V337-V355 CarbonylContact O-C 3.6Å; V337-V355 VanDerWaalsContact O-CA 3.29Å; V337-V355 WeakPolarHBondContact O-CA 3.17Å; A345-V355 HydrophobicContact CB-CG1 4.24Å; A345-V355 HydrophobicContact CB-CG2 4.42Å; A348-V355 HydrophobicContact CB-CG2 3.78Å; C349-V355 VanDerWaalsContact SG-CG2 3.53Å; F353-V355 PolarHBondContact O-N 3.42Å
356	V	98.5	Very high	97.8	Very high	13 Å²	13	70.4 Å²	70.4	8%	0.079	35%	0.354	C	S	.	.			trans	-137.7	167	-173.2	-61.1	0	0	0	0	110.5	L313 V337 T338 R354 V361	L313-V356 HydrophobicContact CD1-CG2 4.02Å; V337-V356 PolarHBondContact O-N 3.4Å; T338-V356 WeakPolarHBondContact CB-O 3.18Å; T338-V356 VanDerWaalsContact CG2-O 3.29Å; T338-V356 WeakPolarHBondContact CG2-O 3.5Å; R354-V356 HydrophobicContact CB-CG1 4.21Å; V356-V361 HydrophobicContact CB-CG1 4.39Å; V356-V361 HydrophobicContact CG1-CG1 4.4Å; V356-V361 HydrophobicContact CG2-CG1 4.1Å; V356-V361 HydrophobicContact CG2-CG2 3.77Å
357	R	98.1	Very high	97.7	Very high	162 Å²	162	65.1 Å²	65.1	61%	0.611	33%	0.326	S	S	*	.			trans	-86	157.5	164.6	-61.6	-178.4	-67.5	165.5	2	111.1	E359 E360	R357-E359 VanDerWaalsContact C-N 3.29Å; R357-E359 WeakPolarHBondContact CB-OE2 3.37Å; R357-E359 PolarHBondContact O-N 3.17Å; R357-E360 HydrophobicContact CB-CG 4.19Å; R357-E360 WeakPolarHBondContact CB-OE1 3.44Å; R357-E360 WeakPolarHBondContact CG-OE1 3.26Å; R357-E360 IonicContact CZ-OE1 3.33Å; R357-E360 PolarHBondContact N-OE1 3.24Å; R357-E360 IonicContact NE-OE1 2.71Å; R357-E360 PolarHBondContact NE-OE1 2.83Å; R357-E360 IonicContact NH2-OE1 3.71Å; R357-E360 PolarHBondContact NH2-OE1 2.96Å; R357-E360 PolarHBondContact O-N 2.91Å
358	V	97.7	Very high	97.7	Very high	12 Å²	12	61.2 Å²	61.2	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-45.7	-178.6	178.5	0	0	0	0	110.2	L313 T338 E360 V361 V362 H382	L313-V358 HydrophobicContact CD2-CB 4.42Å; L313-V358 HydrophobicContact CD2-CG1 4.09Å; L313-V358 HydrophobicContact CD2-CG2 4.37Å; T338-V358 HydrophobicContact CG2-CG2 3.89Å; V358-E360 PolarHBondContact O-N 2.89Å; V358-E360 VanDerWaalsContact O-N 3.14Å; V358-V361 PolarHBondContact O-N 2.97Å; V358-V362 HydrophobicContact CG1-CB 4.04Å; V358-V362 HydrophobicContact CG1-CG2 4.29Å; V358-V362 WeakPolarHBondContact O-CB 3.19Å; V358-V362 WeakPolarHBondContact O-CG1 3.01Å; V358-V362 PolarHBondContact O-N 3.41Å; V358-H382 HydrophobicContact CG1-CB 4.29Å
359	E	96.9	Very high	97.7	Very high	114 Å²	114	61.2 Å²	61.2	53%	0.533	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-22.6	-175.5	-57.4	80.4	-178.3	0	0	113.2	R357 H382	R357-E359 VanDerWaalsContact C-N 3.29Å; R357-E359 WeakPolarHBondContact CB-OE2 3.37Å; R357-E359 PolarHBondContact O-N 3.17Å; E359-H382 IonicContact OE1-CE1 2.78Å; E359-H382 IonicContact OE1-NE2 3.46Å; E359-H382 PolarHBondContact OE1-NE2 3.27Å
360	E	97.1	Very high	97.7	Very high	88 Å²	88	58 Å²	58	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-76.2	-29.1	-177.8	-67.2	172.7	-144.2	0	0	113	R357 V358	R357-E360 HydrophobicContact CB-CG 4.19Å; R357-E360 WeakPolarHBondContact CB-OE1 3.44Å; R357-E360 WeakPolarHBondContact CG-OE1 3.26Å; R357-E360 IonicContact CZ-OE1 3.33Å; R357-E360 PolarHBondContact N-OE1 3.24Å; R357-E360 IonicContact NE-OE1 2.71Å; R357-E360 PolarHBondContact NE-OE1 2.83Å; R357-E360 IonicContact NH2-OE1 3.71Å; R357-E360 PolarHBondContact NH2-OE1 2.96Å; R357-E360 PolarHBondContact O-N 2.91Å; V358-E360 PolarHBondContact O-N 2.89Å; V358-E360 VanDerWaalsContact O-N 3.14Å
361	V	97.2	Very high	97.5	Very high	12 Å²	12	51.2 Å²	51.2	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-131.3	-11.4	-168.9	-58.2	0	0	0	0	114.5	L313 V356 V358 N363 Q364 V365	L313-V361 HydrophobicContact CD1-CG2 3.75Å; L313-V361 HydrophobicContact CD2-CG2 4.08Å; L313-V361 HydrophobicContact CG-CG2 4.39Å; V356-V361 HydrophobicContact CB-CG1 4.39Å; V356-V361 HydrophobicContact CG1-CG1 4.4Å; V356-V361 HydrophobicContact CG2-CG1 4.1Å; V356-V361 HydrophobicContact CG2-CG2 3.77Å; V358-V361 PolarHBondContact O-N 2.97Å; V361-N363 PolarHBondContact O-N 3.3Å; V361-Q364 PolarHBondContact O-N 2.87Å; V361-V365 HydrophobicContact CB-CG1 4.38Å; V361-V365 HydrophobicContact CG2-CG1 4.33Å; V361-V365 PolarHBondContact O-N 2.56Å
362	V	97.1	Very high	97.2	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.03	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.9	-173.2	65.2	0	0	0	0	113.9	V358 Q364 H382 A385 M386	V358-V362 HydrophobicContact CG1-CB 4.04Å; V358-V362 HydrophobicContact CG1-CG2 4.29Å; V358-V362 WeakPolarHBondContact O-CB 3.19Å; V358-V362 WeakPolarHBondContact O-CG1 3.01Å; V358-V362 PolarHBondContact O-N 3.41Å; V362-Q364 VanDerWaalsContact C-N 3.31Å; V362-Q364 PolarHBondContact O-N 3.47Å; V362-H382 HydrophobicContact CG2-CB 4.27Å; V362-H382 WeakPolarHBondContact CG2-O 3.48Å; V362-A385 HydrophobicContact CG1-CB 3.99Å; V362-M386 HydrophobicContact CG2-CE 3.75Å; V362-M386 HydrophobicContact CG2-CG 3.43Å; V362-M386 VanDerWaalsContact CG2-CG 3.43Å; V362-M386 HydrophobicContact CG2-SD 4.41Å
363	N	97	Very high	96.5	Very high	86 Å²	86	47.7 Å²	47.7	46%	0.46	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.2	177.8	65.2	-1.5	0	0	0	114.8	V361 A385	V361-N363 PolarHBondContact O-N 3.3Å; N363-A385 VanDerWaalsContact CA-O 3.27Å; N363-A385 WeakPolarHBondContact CA-O 3.49Å; N363-A385 VanDerWaalsContact CB-O 3.28Å; N363-A385 WeakPolarHBondContact CB-O 3.33Å
364	Q	96.6	Very high	96.1	Very high	121 Å²	121	51.3 Å²	51.3	57%	0.565	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-26.1	-175.6	-72.4	157	61.3	0	0	112.9	S311 V361 V362 K387	S311-Q364 PolarHBondContact OG-O 3.11Å; V361-Q364 PolarHBondContact O-N 2.87Å; V362-Q364 VanDerWaalsContact C-N 3.31Å; V362-Q364 PolarHBondContact O-N 3.47Å; Q364-K387 PolarHBondContact O-NZ 3.08Å
365	V	97.9	Very high	95.7	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.03	25%	0.246	C	C	.	.			trans	-75.6	146.9	-172	-64.2	0	0	0	0	113.9	S311 L313 V361 V368 K387	S311-V365 VanDerWaalsContact OG-CA 3.32Å; S311-V365 WeakPolarHBondContact OG-CA 3.42Å; L313-V365 HydrophobicContact CB-CB 4.49Å; L313-V365 HydrophobicContact CB-CG1 4.17Å; L313-V365 HydrophobicContact CB-CG2 4.16Å; V361-V365 HydrophobicContact CB-CG1 4.38Å; V361-V365 HydrophobicContact CG2-CG1 4.33Å; V361-V365 PolarHBondContact O-N 2.56Å; V365-V368 HydrophobicContact CG2-CG2 3.58Å; V365-K387 WeakPolarHBondContact O-CE 3.4Å
366	D	98	Very high	95.5	Very high	33 Å²	33	53.5 Å²	53.5	18%	0.176	26%	0.256	C	S	.	.	S	Bend	trans	-84.7	-31.5	174.1	-61.2	-80	0	0	0	112.9	K310 S311 K387 C390 I391	K310-D366 HydrophobicContact CB-CB 3.93Å; K310-D366 HydrophobicContact CD-CB 4Å; K310-D366 HydrophobicContact CG-CB 4.14Å; K310-D366 IonicContact NZ-OD1 3.83Å; S311-D366 PolarHBondContact N-OD2 3.03Å; S311-D366 WeakPolarHBondContact O-CA 3.14Å; S311-D366 WeakPolarHBondContact O-CB 3.33Å; S311-D366 PolarHBondContact O-N 3.13Å; S311-D366 PolarHBondContact OG-N 2.95Å; S311-D366 PolarHBondContact OG-OD2 2.88Å; D366-K387 WeakPolarHBondContact OD1-CE 3.31Å; D366-K387 IonicContact OD1-NZ 3.2Å; D366-K387 PolarHBondContact OD1-NZ 3.11Å; D366-K387 IonicContact OD2-NZ 2.7Å; D366-K387 PolarHBondContact OD2-NZ 3.01Å; D366-C390 WeakPolarHBondContact O-CA 3.46Å; D366-I391 PolarHBondContact O-N 2.86Å
367	L	98.1	Very high	95.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.9	179.6	-56	99.1	0	0	0	110.6	L299 L307 K310 S311 A312 L313 I369 I391	L299-L367 HydrophobicContact CD1-CD2 3.93Å; L299-L367 HydrophobicContact CD2-CD2 3.93Å; L307-L367 HydrophobicContact CD2-CD2 4.03Å; K310-L367 HydrophobicContact CB-CD1 3.79Å; K310-L367 HydrophobicContact CD-CD1 3.9Å; K310-L367 HydrophobicContact CG-CD1 4.5Å; S311-L367 PolarHBondContact O-N 3.42Å; A312-L367 CarbonylContact C-O 3.54Å; A312-L367 WeakPolarHBondContact CA-O 3.47Å; A312-L367 HydrophobicContact CB-CB 4Å; A312-L367 HydrophobicContact CB-CD1 4.27Å; L313-L367 PolarHBondContact N-O 3.26Å; L367-I369 HydrophobicContact CB-CG1 4.5Å; L367-I391 CarbonylContact C-O 3.54Å; L367-I391 WeakPolarHBondContact CA-O 3.39Å; L367-I391 HydrophobicContact CD2-CD1 4.47Å; L367-I391 HydrophobicContact CG-CB 4.41Å
368	V	98.3	Very high	95.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.4	168.3	-179.7	0	0	0	0	108.4	L313 V365 V378 M386 I391 V392 C393	L313-V368 HydrophobicContact CB-CG2 4.31Å; L313-V368 HydrophobicContact CD2-CG1 4.5Å; L313-V368 WeakPolarHBondContact O-CA 3.48Å; V365-V368 HydrophobicContact CG2-CG2 3.58Å; V368-V378 HydrophobicContact CG1-CG2 3.74Å; V368-M386 HydrophobicContact CB-CE 4.03Å; V368-M386 HydrophobicContact CG1-CE 4.13Å; V368-M386 HydrophobicContact CG2-CE 3.7Å; V368-M386 HydrophobicContact CG2-SD 4.04Å; V368-I391 PolarHBondContact N-O 3.42Å; V368-V392 HydrophobicContact CB-CG2 4.34Å; V368-V392 WeakPolarHBondContact O-CA 3.48Å; V368-C393 PolarHBondContact O-N 2.98Å; V368-C393 VanDerWaalsContact O-N 3.08Å
369	I	97.8	Very high	95.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112	-173.8	-50.7	175.7	0	0	0	108.9	I295 L313 I314 C315 V324 L328 L367 C371 C393 M395	I295-I369 HydrophobicContact CD1-CD1 4.15Å; L313-I369 PolarHBondContact O-N 3.01Å; I314-I369 WeakPolarHBondContact CA-O 3.48Å; C315-I369 PolarHBondContact N-O 3.46Å; V324-I369 HydrophobicContact CG1-CD1 4Å; V324-I369 HydrophobicContact CG1-CG2 4.23Å; L328-I369 HydrophobicContact CD1-CD1 3.44Å; L328-I369 VanDerWaalsContact CD1-CD1 3.44Å; L367-I369 HydrophobicContact CB-CG1 4.5Å; I369-C371 PolarHBondContact O-N 3.44Å; I369-C393 WeakPolarHBondContact CA-O 3.5Å; I369-M395 HydrophobicContact CG2-CB 4.15Å; I369-M395 HydrophobicContact CG2-CG 3.67Å
370	T	97.7	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.9	173.4	57.2	0	0	0	0	110.1	C315 V377 V378 C393 N394 M395 G396 A401 I402	C315-T370 HydrophobicContact CB-CG2 4.45Å; T370-V377 HydrophobicContact CG2-CB 4.48Å; T370-V377 HydrophobicContact CG2-CG1 4.49Å; T370-V378 HydrophobicContact CG2-CB 4.39Å; T370-V378 HydrophobicContact CG2-CG2 3.55Å; T370-C393 PolarHBondContact N-O 3.32Å; T370-N394 PolarHBondContact O-OD1 3.13Å; T370-N394 VanDerWaalsContact O-OD1 3.1Å; T370-N394 WeakPolarHBondContact OG1-CA 3.38Å; T370-N394 VanDerWaalsContact OG1-CB 3.29Å; T370-N394 WeakPolarHBondContact OG1-CB 3.25Å; T370-N394 VanDerWaalsContact OG1-CG 3.26Å; T370-N394 PolarHBondContact OG1-OD1 3.46Å; T370-M395 PolarHBondContact O-N 3.02Å; T370-G396 PolarHBondContact O-N 3.1Å; T370-A401 HydrophobicContact CG2-CB 4.14Å; T370-I402 HydrophobicContact CG2-CG1 3.96Å
371	C	95.3	Very high	95.3	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.074	23%	0.23	C	C	.	.			trans	-115.4	15.8	176.4	-63.2	0	0	0	0	111.5	I314 C315 T320 I369	I314-C371 HydrophobicContact CG2-CB 4.31Å; C315-C371 CarbonylContact O-C 3.56Å; C315-C371 WeakPolarHBondContact O-CA 3.3Å; C315-C371 WeakPolarHBondContact O-CB 3.45Å; C315-C371 PolarHBondContact O-N 3.3Å; T320-C371 HydrophobicContact CG2-CB 3.91Å; I369-C371 PolarHBondContact O-N 3.44Å
372	T	91	Very high	95.3	Very high	26 Å²	26	44.8 Å²	44.8	16%	0.16	23%	0.233	C	C	.	.			trans	-91.8	161.7	176.2	74.5	0	0	0	0	110.5	C315 N374 V377 G396	C315-T372 VanDerWaalsContact O-CG2 3.27Å; C315-T372 WeakPolarHBondContact O-CG2 3.39Å; C315-T372 PolarHBondContact O-N 2.89Å; T372-N374 VanDerWaalsContact C-N 3.34Å; T372-N374 PolarHBondContact OG1-N 3.42Å; T372-V377 HydrophobicContact CG2-CG1 4.47Å; T372-V377 HydrophobicContact CG2-CG2 4.16Å; T372-V377 WeakPolarHBondContact OG1-CG2 3.47Å; T372-G396 WeakPolarHBondContact O-CA 3.5Å
373	S	82.3	Confident	95.3	Very high	76 Å²	76	44.6 Å²	44.6	53%	0.531	23%	0.231	S	C	.	.	S	Bend	trans	-104.9	33.3	164	-56.7	0	0	0	0	110.8
374	N	88.7	Confident	95.3	Very high	91 Å²	91	45.7 Å²	45.7	49%	0.487	23%	0.233	S	C	.	.	S	Bend	trans	-105.8	176.2	-175.6	-158.5	-3.4	0	0	0	110.8	T372 V377 T400 A401	T372-N374 VanDerWaalsContact C-N 3.34Å; T372-N374 PolarHBondContact OG1-N 3.42Å; N374-V377 HydrophobicContact CB-CG2 3.98Å; N374-T400 PolarHBondContact O-OG1 3.3Å; N374-A401 WeakPolarHBondContact O-CA 3.17Å; N374-A401 WeakPolarHBondContact O-CB 3.48Å; N374-A401 PolarHBondContact O-N 3.47Å
375	K	90.5	Very high	95.3	Very high	126 Å²	126	42.2 Å²	42.2	55%	0.548	23%	0.226	S	C	.	.	S	Bend	trans	-108.6	136.9	-175.7	178.4	170.2	-179.9	179.3	0	111.4	V377 T400	K375-V377 VanDerWaalsContact C-N 3.33Å; K375-V377 PolarHBondContact O-N 3.03Å; K375-T400 CarbonylContact C-O 3.48Å; K375-T400 WeakPolarHBondContact CA-O 3.4Å
376	R	93.3	Very high	95.3	Very high	143 Å²	143	42.2 Å²	42.2	54%	0.54	23%	0.225	S	C	.	.			trans	53.3	43.7	175.4	-61.2	176.1	-169.1	175.3	2.8	113.8	V378 T379 T400 D403	R376-V378 VanDerWaalsContact C-N 3.35Å; R376-T379 HydrophobicContact CB-CG2 4.49Å; R376-T400 PolarHBondContact N-O 3.4Å; R376-D403 HydrophobicContact CG-CB 4.13Å; R376-D403 IonicContact NE-OD2 2.68Å
377	V	96.5	Very high	95.2	Very high	28 Å²	28	44 Å²	44	17%	0.17	23%	0.231	C	C	.	.	S	Bend	trans	-68.2	-39.4	170.9	178.4	0	0	0	0	110.5	C315 T370 T372 N374 K375 H382 A401	C315-V377 HydrophobicContact CB-CG1 3.65Å; T370-V377 HydrophobicContact CG2-CB 4.48Å; T370-V377 HydrophobicContact CG2-CG1 4.49Å; T372-V377 HydrophobicContact CG2-CG1 4.47Å; T372-V377 HydrophobicContact CG2-CG2 4.16Å; T372-V377 WeakPolarHBondContact OG1-CG2 3.47Å; N374-V377 HydrophobicContact CB-CG2 3.98Å; K375-V377 VanDerWaalsContact C-N 3.33Å; K375-V377 PolarHBondContact O-N 3.03Å; V377-H382 PolarHBondContact O-ND1 3.4Å; V377-A401 PolarHBondContact N-O 3.18Å
378	V	97.4	Very high	95.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-109.2	109.3	170.8	178.4	0	0	0	0	108.4	V368 T370 R376 H382 M383 M386 A401 I402 D403	V368-V378 HydrophobicContact CG1-CG2 3.74Å; T370-V378 HydrophobicContact CG2-CB 4.39Å; T370-V378 HydrophobicContact CG2-CG2 3.55Å; R376-V378 VanDerWaalsContact C-N 3.35Å; V378-H382 HydrophobicContact CG1-CB 4.17Å; V378-M383 HydrophobicContact CG1-CG 3.65Å; V378-M383 HydrophobicContact CG1-SD 4.25Å; V378-M386 HydrophobicContact CG1-CE 3.65Å; V378-A401 PolarHBondContact N-O 3.31Å; V378-I402 HydrophobicContact CB-CG1 4.41Å; V378-D403 PolarHBondContact O-N 3.21Å
379	T	97.5	Very high	95	Very high	38 Å²	38	53.9 Å²	53.9	23%	0.233	28%	0.281	C	S	.	.			trans	-92	170	-176.7	65.2	0	0	0	0	111.3	R376 A381 H382 M383	R376-T379 HydrophobicContact CB-CG2 4.49Å; T379-A381 VanDerWaalsContact C-N 3.26Å; T379-A381 PolarHBondContact O-N 3.12Å; T379-A381 PolarHBondContact OG1-N 2.97Å; T379-H382 PolarHBondContact N-ND1 2.86Å; T379-H382 WeakPolarHBondContact O-CB 3.4Å; T379-H382 PolarHBondContact O-N 2.91Å; T379-H382 VanDerWaalsContact O-N 3.15Å; T379-H382 PolarHBondContact OG1-CD2 3.04Å; T379-H382 VanDerWaalsContact OG1-CG 3.25Å; T379-H382 PolarHBondContact OG1-N 3.39Å; T379-H382 PolarHBondContact OG1-ND1 3.4Å; T379-M383 WeakPolarHBondContact O-CE 3.49Å; T379-M383 PolarHBondContact O-N 3.24Å
380	R	96.1	Very high	95	Very high	64 Å²	64	53.9 Å²	53.9	24%	0.242	28%	0.281	C	S	.	.	H	α-helix	trans	-50.6	-46.6	169	-169.8	174.9	167.2	126.9	-3.5	112.3	H382 M383 E384 S406 T409 D411	R380-H382 VanDerWaalsContact C-N 3.3Å; R380-H382 PolarHBondContact O-N 3.14Å; R380-M383 PolarHBondContact O-N 3.49Å; R380-E384 WeakPolarHBondContact O-CB 3.44Å; R380-E384 PolarHBondContact O-N 2.95Å; R380-S406 WeakPolarHBondContact CB-OG 3.3Å; R380-S406 PolarHBondContact NH1-O 3.36Å; R380-T409 VanDerWaalsContact NH1-CG2 3.29Å; R380-T409 PolarHBondContact NH1-OG1 3.25Å; R380-D411 IonicContact CZ-OD2 3.39Å; R380-D411 IonicContact NH2-OD1 2.91Å; R380-D411 IonicContact NH2-OD2 2.87Å; R380-D411 PolarHBondContact NH2-OD2 3.08Å
381	A	96.9	Very high	95	Very high	63 Å²	63	54.2 Å²	54.2	52%	0.521	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-39.4	-179.2	0	0	0	0	0	111.8	T379 E384 A385	T379-A381 VanDerWaalsContact C-N 3.26Å; T379-A381 PolarHBondContact O-N 3.12Å; T379-A381 PolarHBondContact OG1-N 2.97Å; A381-E384 PolarHBondContact O-N 3.28Å; A381-A385 PolarHBondContact O-N 2.86Å
382	H	97.9	Very high	95.1	Very high	25 Å²	25	53.7 Å²	53.7	12%	0.116	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-48.9	174	-60.3	160.5	0	0	0	111.1	V358 E359 V362 V377 V378 T379 R380 E384 A385 M386	V358-H382 HydrophobicContact CG1-CB 4.29Å; E359-H382 IonicContact OE1-CE1 2.78Å; E359-H382 IonicContact OE1-NE2 3.46Å; E359-H382 PolarHBondContact OE1-NE2 3.27Å; V362-H382 HydrophobicContact CG2-CB 4.27Å; V362-H382 WeakPolarHBondContact CG2-O 3.48Å; V377-H382 PolarHBondContact O-ND1 3.4Å; V378-H382 HydrophobicContact CG1-CB 4.17Å; T379-H382 PolarHBondContact N-ND1 2.86Å; T379-H382 WeakPolarHBondContact O-CB 3.4Å; T379-H382 PolarHBondContact O-N 2.91Å; T379-H382 VanDerWaalsContact O-N 3.15Å; T379-H382 PolarHBondContact OG1-CD2 3.04Å; T379-H382 VanDerWaalsContact OG1-CG 3.25Å; T379-H382 PolarHBondContact OG1-N 3.39Å; T379-H382 PolarHBondContact OG1-ND1 3.4Å; R380-H382 VanDerWaalsContact C-N 3.3Å; R380-H382 PolarHBondContact O-N 3.14Å; H382-E384 VanDerWaalsContact C-N 3.28Å; H382-E384 PolarHBondContact O-N 3.49Å; H382-A385 PolarHBondContact O-N 3.36Å; H382-A385 VanDerWaalsContact O-N 3.09Å; H382-M386 WeakPolarHBondContact O-CG 3.28Å; H382-M386 PolarHBondContact O-N 3.27Å; H382-M386 VanDerWaalsContact O-N 3.14Å
383	M	97.4	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-31.9	179.2	-66.9	-177.4	-78.4	0	0	112.6	V378 T379 R380 M386 I402 L407 W426 K430 L432	V378-M383 HydrophobicContact CG1-CG 3.65Å; V378-M383 HydrophobicContact CG1-SD 4.25Å; T379-M383 WeakPolarHBondContact O-CE 3.49Å; T379-M383 PolarHBondContact O-N 3.24Å; R380-M383 PolarHBondContact O-N 3.49Å; M383-M386 HydrophobicContact CG-CE 3.94Å; M383-M386 HydrophobicContact CG-SD 4.42Å; M383-M386 PolarHBondContact O-N 3.1Å; M383-I402 HydrophobicContact CE-CG2 4.24Å; M383-I402 HydrophobicContact SD-CG2 3.95Å; M383-L407 HydrophobicContact CE-CD1 3.86Å; M383-L407 HydrophobicContact CE-CD2 3.65Å; M383-L407 HydrophobicContact CE-CG 3.79Å; M383-L407 HydrophobicContact SD-CD1 3.71Å; M383-L407 HydrophobicContact SD-CD2 4.11Å; M383-L407 HydrophobicContact SD-CG 4.27Å; M383-W426 HydrophobicContact CB-CH2 4.13Å; M383-W426 HydrophobicContact CB-CZ2 4.11Å; M383-W426 WeakPolarHBondContact O-CZ2 3.3Å; M383-K430 PolarHBondContact O-NZ 2.99Å; M383-L432 HydrophobicContact CB-CD2 4.23Å; M383-L432 HydrophobicContact CG-CD2 4.1Å; M383-L432 HydrophobicContact SD-CD2 3.87Å
384	E	95.7	Very high	96	Very high	109 Å²	109	48.9 Å²	48.9	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-68.1	-33.3	172.4	-170.1	163.8	-171.9	0	0	112.7	R380 A381 H382 W426 K430	R380-E384 WeakPolarHBondContact O-CB 3.44Å; R380-E384 PolarHBondContact O-N 2.95Å; A381-E384 PolarHBondContact O-N 3.28Å; H382-E384 VanDerWaalsContact C-N 3.28Å; H382-E384 PolarHBondContact O-N 3.49Å; E384-W426 HydrophobicContact CB-CZ2 4.49Å; E384-K430 PolarHBondContact O-NZ 3.37Å
385	A	97	Very high	96.1	Very high	49 Å²	49	44.5 Å²	44.5	41%	0.405	22%	0.223	S	C	.	.	H	α-helix	trans	-79.9	-18.3	176.2	0	0	0	0	0	114.5	V362 N363 A381 H382	V362-A385 HydrophobicContact CG1-CB 3.99Å; N363-A385 VanDerWaalsContact CA-O 3.27Å; N363-A385 WeakPolarHBondContact CA-O 3.49Å; N363-A385 VanDerWaalsContact CB-O 3.28Å; N363-A385 WeakPolarHBondContact CB-O 3.33Å; A381-A385 PolarHBondContact O-N 2.86Å; H382-A385 PolarHBondContact O-N 3.36Å; H382-A385 VanDerWaalsContact O-N 3.09Å
386	M	97.6	Very high	96	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.02	20%	0.197	C	C	.	.	S	Bend	trans	-62.7	150.8	-179.8	-69.7	178.3	-162.8	0	0	112.6	V362 V368 V378 H382 M383 C390 V392 K430 L432	V362-M386 HydrophobicContact CG2-CE 3.75Å; V362-M386 HydrophobicContact CG2-CG 3.43Å; V362-M386 VanDerWaalsContact CG2-CG 3.43Å; V362-M386 HydrophobicContact CG2-SD 4.41Å; V368-M386 HydrophobicContact CB-CE 4.03Å; V368-M386 HydrophobicContact CG1-CE 4.13Å; V368-M386 HydrophobicContact CG2-CE 3.7Å; V368-M386 HydrophobicContact CG2-SD 4.04Å; V378-M386 HydrophobicContact CG1-CE 3.65Å; H382-M386 WeakPolarHBondContact O-CG 3.28Å; H382-M386 PolarHBondContact O-N 3.27Å; H382-M386 VanDerWaalsContact O-N 3.14Å; M383-M386 HydrophobicContact CG-CE 3.94Å; M383-M386 HydrophobicContact CG-SD 4.42Å; M383-M386 PolarHBondContact O-N 3.1Å; M386-C390 HydrophobicContact CB-CB 3.87Å; M386-C390 HydrophobicContact CG-CB 4.4Å; M386-C390 HydrophobicContact SD-CB 4.19Å; M386-C390 VanDerWaalsContact SD-SG 3.62Å; M386-V392 HydrophobicContact CE-CG2 3.92Å; M386-V392 HydrophobicContact SD-CG2 3.44Å; M386-V392 WeakPolarHBondContact SD-CG2 3.44Å; M386-K430 VanDerWaalsContact O-CD 3.32Å; M386-K430 WeakPolarHBondContact O-CD 3.41Å; M386-L432 HydrophobicContact CB-CD1 4.32Å; M386-L432 HydrophobicContact SD-CD1 3.59Å; M386-L432 VanDerWaalsContact SD-CD1 3.59Å
387	K	95.9	Very high	95.2	Very high	70 Å²	70	35.7 Å²	35.7	30%	0.304	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-68	159.5	174.1	72.4	-171.8	-174.7	-167.2	0	112.4	Q364 V365 D366 G389 C390	Q364-K387 PolarHBondContact O-NZ 3.08Å; V365-K387 WeakPolarHBondContact O-CE 3.4Å; D366-K387 WeakPolarHBondContact OD1-CE 3.31Å; D366-K387 IonicContact OD1-NZ 3.2Å; D366-K387 PolarHBondContact OD1-NZ 3.11Å; D366-K387 IonicContact OD2-NZ 2.7Å; D366-K387 PolarHBondContact OD2-NZ 3.01Å; K387-G389 PolarHBondContact O-N 2.94Å; K387-C390 HydrophobicContact CG-CB 4.44Å; K387-C390 WeakPolarHBondContact O-CB 3.36Å; K387-C390 PolarHBondContact O-N 3.33Å
388	R	96.7	Very high	94.2	Very high	170 Å²	170	35.7 Å²	35.7	64%	0.642	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	130.9	173.3	174.9	-177.3	-85	-167.8	-3	110.2	C390 G429 K430	R388-C390 VanDerWaalsContact C-N 3.33Å; R388-G429 PolarHBondContact NH2-O 3.48Å; R388-K430 HydrophobicContact CB-CG 4.24Å
389	G	95.6	Very high	93.5	Very high	38 Å²	38	39 Å²	39	39%	0.392	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	9.8	177.4	0	0	0	0	0	114.4	K387 I391 R431	K387-G389 PolarHBondContact O-N 2.94Å; G389-I391 PolarHBondContact O-N 3.03Å; G389-R431 PolarHBondContact N-O 2.87Å
390	C	97.7	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.			trans	-58.8	132.3	173.2	-173.4	0	0	0	0	110.3	D366 M386 K387 R388 L432 V433	D366-C390 WeakPolarHBondContact O-CA 3.46Å; M386-C390 HydrophobicContact CB-CB 3.87Å; M386-C390 HydrophobicContact CG-CB 4.4Å; M386-C390 HydrophobicContact SD-CB 4.19Å; M386-C390 VanDerWaalsContact SD-SG 3.62Å; K387-C390 HydrophobicContact CG-CB 4.44Å; K387-C390 WeakPolarHBondContact O-CB 3.36Å; K387-C390 PolarHBondContact O-N 3.33Å; R388-C390 VanDerWaalsContact C-N 3.33Å; C390-L432 HydrophobicContact CB-CD1 4.1Å; C390-V433 PolarHBondContact O-N 3.5Å
391	I	97.8	Very high	93	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.9	177.7	-62.4	161.4	0	0	0	108.6	L299 T303 D366 L367 V368 G389 V433 L435	L299-I391 HydrophobicContact CD2-CG2 4.25Å; T303-I391 HydrophobicContact CG2-CD1 3.93Å; T303-I391 HydrophobicContact CG2-CG1 4.33Å; T303-I391 HydrophobicContact CG2-CG2 4.26Å; D366-I391 PolarHBondContact O-N 2.86Å; L367-I391 CarbonylContact C-O 3.54Å; L367-I391 WeakPolarHBondContact CA-O 3.39Å; L367-I391 HydrophobicContact CD2-CD1 4.47Å; L367-I391 HydrophobicContact CG-CB 4.41Å; V368-I391 PolarHBondContact N-O 3.42Å; G389-I391 PolarHBondContact O-N 3.03Å; I391-V433 CarbonylContact C-O 3.59Å; I391-V433 WeakPolarHBondContact CA-O 3.35Å; I391-V433 HydrophobicContact CG1-CB 4.03Å; I391-V433 HydrophobicContact CG1-CG1 4.36Å; I391-V433 HydrophobicContact CG1-CG2 4.35Å; I391-L435 HydrophobicContact CG2-CD1 3.75Å; I391-L435 HydrophobicContact CG2-CG 4.01Å
392	V	97.7	Very high	92.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.4	179.1	-172.8	0	0	0	0	109.6	V368 M386 I402 L432 V433 L434 L435	V368-V392 HydrophobicContact CB-CG2 4.34Å; V368-V392 WeakPolarHBondContact O-CA 3.48Å; M386-V392 HydrophobicContact CE-CG2 3.92Å; M386-V392 HydrophobicContact SD-CG2 3.44Å; M386-V392 WeakPolarHBondContact SD-CG2 3.44Å; V392-I402 HydrophobicContact CG1-CD1 3.76Å; V392-I402 HydrophobicContact CG1-CG1 4.2Å; V392-I402 HydrophobicContact CG1-CG2 4.42Å; V392-L432 HydrophobicContact CB-CD2 4.43Å; V392-L432 HydrophobicContact CG2-CD1 3.53Å; V392-L432 HydrophobicContact CG2-CD2 3.98Å; V392-L432 HydrophobicContact CG2-CG 3.92Å; V392-V433 PolarHBondContact N-O 3.22Å; V392-L434 HydrophobicContact CB-CD1 4.44Å; V392-L435 PolarHBondContact O-N 3.26Å
393	C	96.2	Very high	92.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	164.7	-180	73.9	0	0	0	0	112.1	V368 I369 T370 L435 M441	V368-C393 PolarHBondContact O-N 2.98Å; V368-C393 VanDerWaalsContact O-N 3.08Å; I369-C393 WeakPolarHBondContact CA-O 3.5Å; T370-C393 PolarHBondContact N-O 3.32Å; C393-L435 HydrophobicContact CB-CB 3.81Å; C393-L435 HydrophobicContact CB-CD1 3.8Å; C393-L435 HydrophobicContact CB-CG 4.02Å; C393-M441 HydrophobicContact CB-CG 3.73Å; C393-M441 HydrophobicContact CB-SD 4.09Å
394	N	95.2	Very high	92.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116	-176.2	178.6	31.9	0	0	0	110.7	T370 G396 S398 I402 G438 M441	T370-N394 PolarHBondContact O-OD1 3.13Å; T370-N394 VanDerWaalsContact O-OD1 3.1Å; T370-N394 WeakPolarHBondContact OG1-CA 3.38Å; T370-N394 VanDerWaalsContact OG1-CB 3.29Å; T370-N394 WeakPolarHBondContact OG1-CB 3.25Å; T370-N394 VanDerWaalsContact OG1-CG 3.26Å; T370-N394 PolarHBondContact OG1-OD1 3.46Å; N394-G396 WeakPolarHBondContact OD1-CA 3.5Å; N394-G396 PolarHBondContact OD1-N 2.72Å; N394-S398 PolarHBondContact ND2-O 3.15Å; N394-I402 HydrophobicContact CB-CD1 3.84Å; N394-G438 WeakPolarHBondContact CB-O 3.22Å; N394-G438 PolarHBondContact ND2-O 2.47Å; N394-M441 WeakPolarHBondContact O-CB 3.17Å; N394-M441 WeakPolarHBondContact O-CG 3.45Å; N394-M441 PolarHBondContact O-N 2.81Å
395	M	92.7	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.			trans	-98.8	-9.4	171.7	-68.9	-63.2	-62.9	0	0	112	L291 I295 T320 V324 I369 T370 M441 Y442	L291-M395 HydrophobicContact CB-CE 4.23Å; L291-M395 HydrophobicContact CD2-CE 4.04Å; I295-M395 HydrophobicContact CB-CE 3.95Å; I295-M395 HydrophobicContact CB-SD 4.24Å; I295-M395 HydrophobicContact CD1-CG 3.77Å; I295-M395 HydrophobicContact CD1-SD 3.72Å; T320-M395 HydrophobicContact CG2-CB 4.01Å; T320-M395 WeakPolarHBondContact CG2-O 3.4Å; V324-M395 HydrophobicContact CG2-CB 4.09Å; V324-M395 HydrophobicContact CG2-CE 4.33Å; V324-M395 HydrophobicContact CG2-CG 3.95Å; I369-M395 HydrophobicContact CG2-CB 4.15Å; I369-M395 HydrophobicContact CG2-CG 3.67Å; T370-M395 PolarHBondContact O-N 3.02Å; M395-M441 HydrophobicContact SD-CB 3.65Å; M395-M441 HydrophobicContact SD-CG 4.5Å; M395-Y442 HydrophobicContact CE-CD1 4.48Å
396	G	86.7	Confident	92.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	-68	172.8	175.5	0	0	0	0	0	112.6	T370 T372 N394 Q440	T370-G396 PolarHBondContact O-N 3.1Å; T372-G396 WeakPolarHBondContact O-CA 3.5Å; N394-G396 WeakPolarHBondContact OD1-CA 3.5Å; N394-G396 PolarHBondContact OD1-N 2.72Å; G396-Q440 WeakPolarHBondContact O-CG 3.2Å
397	R	77.3	Confident	92.5	Very high	82 Å²	82	32.5 Å²	32.5	31%	0.309	18%	0.184	S	C	.	.	S	Bend	trans	-89.2	-11.2	-176	-54.2	-175.3	-177.1	129.5	-15.7	113.8	I254 N287 Q440	I254-R397 VanDerWaalsContact CD1-CD 3.48Å; I254-R397 VanDerWaalsContact CD1-NE 3.32Å; N287-R397 PolarHBondContact ND2-NH2 3.4Å; N287-R397 PolarHBondContact OD1-NH2 3.39Å; R397-Q440 PolarHBondContact O-NE2 2.89Å
398	S	76	Confident	92.4	Very high	29 Å²	29	35.1 Å²	35.1	20%	0.203	19%	0.192	C	C	.	.			trans	-105.5	133.6	176.3	-176.5	0	0	0	0	110.6	N394 T400	N394-S398 PolarHBondContact ND2-O 3.15Å; S398-T400 PolarHBondContact O-N 3.04Å; S398-T400 PolarHBondContact OG-N 2.87Å; S398-T400 PolarHBondContact OG-OG1 2.93Å
399	S	82.7	Confident	92.3	Very high	69 Å²	69	29.5 Å²	29.5	48%	0.483	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	0.7	170.5	54.5	0	0	0	0	113.7
400	T	88.5	Confident	92.1	Very high	58 Å²	58	33 Å²	33	36%	0.356	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-2.7	-175.4	69.6	0	0	0	0	114.3	N374 K375 R376 S398 I402	N374-T400 PolarHBondContact O-OG1 3.3Å; K375-T400 CarbonylContact C-O 3.48Å; K375-T400 WeakPolarHBondContact CA-O 3.4Å; R376-T400 PolarHBondContact N-O 3.4Å; S398-T400 PolarHBondContact O-N 3.04Å; S398-T400 PolarHBondContact OG-N 2.87Å; S398-T400 PolarHBondContact OG-OG1 2.93Å; T400-I402 VanDerWaalsContact C-N 3.27Å; T400-I402 PolarHBondContact O-N 3.07Å
401	A	93.2	Very high	92	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-65.1	-31.6	-177.8	0	0	0	0	0	112.6	T370 N374 V377 V378	T370-A401 HydrophobicContact CG2-CB 4.14Å; N374-A401 WeakPolarHBondContact O-CA 3.17Å; N374-A401 WeakPolarHBondContact O-CB 3.48Å; N374-A401 PolarHBondContact O-N 3.47Å; V377-A401 PolarHBondContact N-O 3.18Å; V378-A401 PolarHBondContact N-O 3.31Å
402	I	96.4	Very high	91.9	Very high	4 Å²	4	37 Å²	37	2%	0.021	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-102.8	130.2	172.3	-57.8	162.9	0	0	0	107.9	T370 V378 M383 V392 N394 T400 V404 L434	T370-I402 HydrophobicContact CG2-CG1 3.96Å; V378-I402 HydrophobicContact CB-CG1 4.41Å; M383-I402 HydrophobicContact CE-CG2 4.24Å; M383-I402 HydrophobicContact SD-CG2 3.95Å; V392-I402 HydrophobicContact CG1-CD1 3.76Å; V392-I402 HydrophobicContact CG1-CG1 4.2Å; V392-I402 HydrophobicContact CG1-CG2 4.42Å; N394-I402 HydrophobicContact CB-CD1 3.84Å; T400-I402 VanDerWaalsContact C-N 3.27Å; T400-I402 PolarHBondContact O-N 3.07Å; I402-V404 HydrophobicContact CB-CG2 4.11Å; I402-V404 HydrophobicContact CG2-CG2 3.74Å; I402-V404 PolarHBondContact O-N 3.28Å; I402-L434 HydrophobicContact CD1-CD1 4.48Å; I402-L434 HydrophobicContact CG2-CD1 4.48Å
403	D	96.2	Very high	91.8	Very high	30 Å²	30	43.6 Å²	43.6	16%	0.16	25%	0.252	C	S	.	.			trans	-77.9	64.5	178.9	-164.5	-4.2	0	0	0	112.1	R376 V378 A405 S406	R376-D403 HydrophobicContact CG-CB 4.13Å; R376-D403 IonicContact NE-OD2 2.68Å; V378-D403 PolarHBondContact O-N 3.21Å; D403-A405 VanDerWaalsContact C-N 3.26Å; D403-A405 PolarHBondContact O-N 2.91Å; D403-S406 VanDerWaalsContact CG-CB 3.46Å; D403-S406 WeakPolarHBondContact O-CB 3.49Å; D403-S406 PolarHBondContact O-N 3.44Å; D403-S406 PolarHBondContact O-OG 3.04Å; D403-S406 WeakPolarHBondContact OD1-CB 3.48Å; D403-S406 PolarHBondContact OD1-N 3.43Å
404	V	95.1	Very high	91.8	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.109	26%	0.263	C	S	.	.			trans	-64.7	-32	-178	-179.5	0	0	0	0	111.8	I402 S406 L407 W414 L434 E437	I402-V404 HydrophobicContact CB-CG2 4.11Å; I402-V404 HydrophobicContact CG2-CG2 3.74Å; I402-V404 PolarHBondContact O-N 3.28Å; V404-S406 PolarHBondContact O-N 3.28Å; V404-L407 WeakPolarHBondContact O-CB 3.49Å; V404-L407 PolarHBondContact O-N 3.41Å; V404-W414 HydrophobicContact CG1-CH2 3.89Å; V404-W414 HydrophobicContact CG1-CZ3 4.34Å; V404-L434 HydrophobicContact CG1-CD2 4.16Å; V404-L434 HydrophobicContact CG2-CD2 4.2Å; V404-E437 WeakPolarHBondContact CG2-O 3.28Å
405	A	94.5	Very high	91.9	Very high	79 Å²	79	50.3 Å²	50.3	65%	0.653	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-58.2	-39	175.9	0	0	0	0	0	111.8	D403 L407 R408	D403-A405 VanDerWaalsContact C-N 3.26Å; D403-A405 PolarHBondContact O-N 2.91Å; A405-L407 PolarHBondContact O-N 3.29Å; A405-L407 VanDerWaalsContact O-N 3.16Å; A405-R408 PolarHBondContact O-N 2.93Å; A405-R408 VanDerWaalsContact O-N 3.14Å
406	S	95.2	Very high	91.9	Very high	24 Å²	24	57.4 Å²	57.4	17%	0.168	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.6	-13.9	176.4	75.7	0	0	0	0	114.7	R380 D403 V404	R380-S406 WeakPolarHBondContact CB-OG 3.3Å; R380-S406 PolarHBondContact NH1-O 3.36Å; D403-S406 VanDerWaalsContact CG-CB 3.46Å; D403-S406 WeakPolarHBondContact O-CB 3.49Å; D403-S406 PolarHBondContact O-N 3.44Å; D403-S406 PolarHBondContact O-OG 3.04Å; D403-S406 WeakPolarHBondContact OD1-CB 3.48Å; D403-S406 PolarHBondContact OD1-N 3.43Å; V404-S406 PolarHBondContact O-N 3.28Å
407	L	95.2	Very high	92.1	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-90.2	-11.9	176.6	-56.2	178.5	0	0	0	113.1	M383 V404 A405 T409 L412 W414 V424 L434	M383-L407 HydrophobicContact CE-CD1 3.86Å; M383-L407 HydrophobicContact CE-CD2 3.65Å; M383-L407 HydrophobicContact CE-CG 3.79Å; M383-L407 HydrophobicContact SD-CD1 3.71Å; M383-L407 HydrophobicContact SD-CD2 4.11Å; M383-L407 HydrophobicContact SD-CG 4.27Å; V404-L407 WeakPolarHBondContact O-CB 3.49Å; V404-L407 PolarHBondContact O-N 3.41Å; A405-L407 PolarHBondContact O-N 3.29Å; A405-L407 VanDerWaalsContact O-N 3.16Å; L407-T409 PolarHBondContact O-N 3.37Å; L407-L412 HydrophobicContact CB-CD1 4.22Å; L407-L412 HydrophobicContact CD2-CD1 3.97Å; L407-W414 HydrophobicContact CB-CZ3 4.17Å; L407-V424 HydrophobicContact CB-CG1 4.46Å; L407-V424 HydrophobicContact CD1-CG1 4.48Å; L407-V424 HydrophobicContact CD1-CG2 4.14Å; L407-V424 HydrophobicContact CD2-CG1 4.47Å; L407-L434 HydrophobicContact CD1-CD2 4.44Å
408	R	93.6	Very high	92.7	Very high	126 Å²	126	62.6 Å²	62.6	48%	0.475	33%	0.332	S	S	.	.			trans	-83.4	62.3	179.9	-59.6	-64.3	-171.2	-175.6	0.4	110.4	A405 W414 E437	A405-R408 PolarHBondContact O-N 2.93Å; A405-R408 VanDerWaalsContact O-N 3.14Å; R408-W414 VanDerWaalsContact NH1-CZ2 3.32Å; R408-E437 IonicContact CZ-OE2 2.97Å; R408-E437 IonicContact NH2-OE2 3.55Å; R408-E437 PolarHBondContact NH2-OE2 3.47Å
409	T	94.2	Very high	93.2	Very high	51 Å²	51	68 Å²	68	31%	0.313	36%	0.356	S	S	.	.	S	Bend	trans	-125.4	154	-178.5	58.8	0	0	0	0	111.1	R380 L407 D411 L412	R380-T409 VanDerWaalsContact NH1-CG2 3.29Å; R380-T409 PolarHBondContact NH1-OG1 3.25Å; L407-T409 PolarHBondContact O-N 3.37Å; T409-D411 WeakPolarHBondContact CB-OD1 3.26Å; T409-D411 PolarHBondContact O-N 3.27Å; T409-D411 PolarHBondContact OG1-OD1 3.23Å; T409-L412 PolarHBondContact O-N 2.91Å
410	A	93.1	Very high	93.5	Very high	113 Å²	113	66.2 Å²	66.2	93%	0.934	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.5	-172.7	0	0	0	0	0	114.5
411	D	94.3	Very high	93.8	Very high	75 Å²	75	63.7 Å²	63.7	40%	0.401	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-18.7	177.3	62.3	-56.9	0	0	0	113.5	R380 T409 P427	R380-D411 IonicContact CZ-OD2 3.39Å; R380-D411 IonicContact NH2-OD1 2.91Å; R380-D411 IonicContact NH2-OD2 2.87Å; R380-D411 PolarHBondContact NH2-OD2 3.08Å; T409-D411 WeakPolarHBondContact CB-OD1 3.26Å; T409-D411 PolarHBondContact O-N 3.27Å; T409-D411 PolarHBondContact OG1-OD1 3.23Å; D411-P427 HydrophobicContact CB-CG 4.48Å
412	L	96.1	Very high	93.9	Very high	15 Å²	15	63.7 Å²	63.7	8%	0.079	33%	0.325	C	S	.	.	S	Bend	trans	-100.7	127.6	179.8	-62	179.1	0	0	0	109.9	L407 T409 V424 I425 W426	L407-L412 HydrophobicContact CB-CD1 4.22Å; L407-L412 HydrophobicContact CD2-CD1 3.97Å; T409-L412 PolarHBondContact O-N 2.91Å; L412-V424 HydrophobicContact CB-CG1 4.21Å; L412-V424 HydrophobicContact CD1-CG1 4.03Å; L412-I425 WeakPolarHBondContact CA-O 3.42Å; L412-W426 HydrophobicContact CD2-CB 4.34Å; L412-W426 HydrophobicContact CD2-CD2 3.95Å; L412-W426 HydrophobicContact CD2-CG 3.78Å
413	K	96.2	Very high	93.9	Very high	138 Å²	138	65.1 Å²	65.1	60%	0.6	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.7	173	174.8	177.7	-179.3	177.1	0	109.3	I425	K413-I425 HydrophobicContact CB-CB 4.14Å; K413-I425 HydrophobicContact CD-CD1 4.35Å; K413-I425 HydrophobicContact CG-CD1 4.46Å; K413-I425 PolarHBondContact N-O 2.93Å; K413-I425 PolarHBondContact O-N 3.46Å
414	W	96.3	Very high	94	Very high	65 Å²	65	63.7 Å²	63.7	25%	0.246	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126	172.1	-162.2	-75.2	0	0	0	110.2	V404 L407 R408 D422 V424 L434 E437	V404-W414 HydrophobicContact CG1-CH2 3.89Å; V404-W414 HydrophobicContact CG1-CZ3 4.34Å; L407-W414 HydrophobicContact CB-CZ3 4.17Å; R408-W414 VanDerWaalsContact NH1-CZ2 3.32Å; W414-D422 HydrophobicContact CZ2-CB 3.82Å; W414-D422 VanDerWaalsContact NE1-CG 3.28Å; W414-D422 PolarHBondContact NE1-OD1 2.63Å; W414-V424 HydrophobicContact CD2-CG2 4.29Å; W414-V424 HydrophobicContact CE3-CG2 3.77Å; W414-V424 HydrophobicContact CH2-CG2 4.24Å; W414-V424 HydrophobicContact CZ3-CG2 3.75Å; W414-L434 HydrophobicContact CH2-CD2 3.5Å; W414-L434 VanDerWaalsContact CH2-CD2 3.5Å; W414-L434 HydrophobicContact CZ2-CD2 4.04Å; W414-L434 HydrophobicContact CZ3-CD2 4.34Å; W414-E437 HydrophobicContact CZ2-CG 4.21Å
415	Q	95.6	Very high	94.1	Very high	78 Å²	78	63.9 Å²	63.9	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	107.3	178.6	-179.5	-178.6	-0.6	0	0	109.7	L417 H423 I425	Q415-L417 HydrophobicContact CG-CD2 4.13Å; Q415-L417 PolarHBondContact O-N 2.68Å; Q415-H423 HydrophobicContact CB-CB 4.28Å; Q415-H423 PolarHBondContact N-O 3.4Å; Q415-H423 PolarHBondContact O-N 2.78Å; Q415-I425 HydrophobicContact CB-CD1 4.35Å
416	R	93.8	Very high	94.2	Very high	148 Å²	148	60.7 Å²	60.7	56%	0.558	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	124.9	170.6	-173.4	166.2	174.4	161.3	-8.3	109.4	D422	R416-D422 WeakPolarHBondContact CA-OD1 3.18Å; R416-D422 WeakPolarHBondContact CB-OD1 3.42Å
417	L	91.3	Very high	94.2	Very high	80 Å²	80	64.6 Å²	64.6	42%	0.419	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-44.6	179.7	-67.7	-172.6	0	0	0	112.2	Q415 V421 H423	Q415-L417 HydrophobicContact CG-CD2 4.13Å; Q415-L417 PolarHBondContact O-N 2.68Å; L417-V421 PolarHBondContact N-O 3.37Å; L417-H423 VanDerWaalsContact CD1-CE1 3.41Å; L417-H423 WeakPolarHBondContact CD1-CE1 3.39Å; L417-H423 VanDerWaalsContact CD1-NE2 3.34Å; L417-H423 WeakPolarHBondContact CD1-NE2 3.31Å
418	R	89.5	Confident	94.1	Very high	112 Å²	112	70 Å²	70	42%	0.423	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-180	177.9	55	-179.4	131.4	-179	-1.9	109	T302 D304 Q420 V421	T302-R418 VanDerWaalsContact O-CZ 3.24Å; T302-R418 PolarHBondContact O-NE 3.3Å; T302-R418 PolarHBondContact O-NH2 2.9Å; D304-R418 IonicContact OD2-CZ 3.87Å; D304-R418 IonicContact OD2-NH1 3.2Å; D304-R418 PolarHBondContact OD2-NH1 2.96Å; D304-R418 IonicContact OD2-NH2 2.67Å; D304-R418 PolarHBondContact OD2-NH2 3.19Å; R418-Q420 PolarHBondContact O-N 2.82Å; R418-V421 HydrophobicContact CG-CB 3.64Å; R418-V421 HydrophobicContact CG-CG1 4.48Å; R418-V421 HydrophobicContact CG-CG2 3.69Å; R418-V421 PolarHBondContact N-O 3.17Å; R418-V421 PolarHBondContact O-N 3.1Å; R418-V421 VanDerWaalsContact O-N 3.15Å
419	M	85.9	Confident	94.1	Very high	142 Å²	142	65.2 Å²	65.2	70%	0.7	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	127.3	176.4	-165.1	174.3	70.2	0	0	110.4	V421	M419-V421 PolarHBondContact O-N 3.35Å
420	Q	88.7	Confident	94.2	Very high	33 Å²	33	63.7 Å²	63.7	15%	0.154	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	17.8	-177.4	-47.5	-57.4	-18.5	0	0	116.4	R418 L435 A436 C445	R418-Q420 PolarHBondContact O-N 2.82Å; Q420-L435 CarbonylContact O-C 3.54Å; Q420-L435 WeakPolarHBondContact O-CA 3.46Å; Q420-A436 HydrophobicContact CB-CB 4.31Å; Q420-A436 PolarHBondContact O-N 3.36Å; Q420-C445 WeakPolarHBondContact CB-SG 3.31Å
421	V	94.7	Very high	94.3	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	115.7	177.2	-173.3	0	0	0	0	110.7	T302 L417 R418 M419 V433 L435	T302-V421 HydrophobicContact CG2-CG2 3.99Å; L417-V421 PolarHBondContact N-O 3.37Å; R418-V421 HydrophobicContact CG-CB 3.64Å; R418-V421 HydrophobicContact CG-CG1 4.48Å; R418-V421 HydrophobicContact CG-CG2 3.69Å; R418-V421 PolarHBondContact N-O 3.17Å; R418-V421 PolarHBondContact O-N 3.1Å; R418-V421 VanDerWaalsContact O-N 3.15Å; M419-V421 PolarHBondContact O-N 3.35Å; V421-V433 HydrophobicContact CG1-CG1 4.04Å; V421-L435 HydrophobicContact CG1-CD2 4.15Å; V421-L435 HydrophobicContact CG2-CD2 4.13Å
422	D	96.4	Very high	94.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.7	-177.4	-63.3	-82.8	0	0	0	111.1	W414 R416 L434 E437	W414-D422 HydrophobicContact CZ2-CB 3.82Å; W414-D422 VanDerWaalsContact NE1-CG 3.28Å; W414-D422 PolarHBondContact NE1-OD1 2.63Å; R416-D422 WeakPolarHBondContact CA-OD1 3.18Å; R416-D422 WeakPolarHBondContact CB-OD1 3.42Å; D422-L434 PolarHBondContact N-O 3.01Å; D422-L434 PolarHBondContact O-N 2.96Å; D422-E437 WeakPolarHBondContact OD2-CG 3.37Å
423	H	96.9	Very high	94.5	Very high	33 Å²	33	60.9 Å²	60.9	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.6	164.1	-81.6	-175.7	0	0	0	109.9	Q415 L417 I425 L432	Q415-H423 HydrophobicContact CB-CB 4.28Å; Q415-H423 PolarHBondContact N-O 3.4Å; Q415-H423 PolarHBondContact O-N 2.78Å; L417-H423 VanDerWaalsContact CD1-CE1 3.41Å; L417-H423 WeakPolarHBondContact CD1-CE1 3.39Å; L417-H423 VanDerWaalsContact CD1-NE2 3.34Å; L417-H423 WeakPolarHBondContact CD1-NE2 3.31Å; H423-I425 HydrophobicContact CB-CD1 4.5Å; H423-I425 HydrophobicContact CB-CG1 4.22Å; H423-L432 WeakPolarHBondContact CA-O 3.37Å
424	V	97	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.7	165.6	-175.6	0	0	0	0	107.6	L407 L412 W414 W426 R431 L432	L407-V424 HydrophobicContact CB-CG1 4.46Å; L407-V424 HydrophobicContact CD1-CG1 4.48Å; L407-V424 HydrophobicContact CD1-CG2 4.14Å; L407-V424 HydrophobicContact CD2-CG1 4.47Å; L412-V424 HydrophobicContact CB-CG1 4.21Å; L412-V424 HydrophobicContact CD1-CG1 4.03Å; W414-V424 HydrophobicContact CD2-CG2 4.29Å; W414-V424 HydrophobicContact CE3-CG2 3.77Å; W414-V424 HydrophobicContact CH2-CG2 4.24Å; W414-V424 HydrophobicContact CZ3-CG2 3.75Å; V424-W426 HydrophobicContact CB-CZ3 4.27Å; V424-W426 HydrophobicContact CG1-CH2 4.36Å; V424-W426 HydrophobicContact CG1-CZ3 4.13Å; V424-W426 VanDerWaalsContact O-CZ3 3.31Å; V424-W426 WeakPolarHBondContact O-CZ3 3.25Å; V424-R431 WeakPolarHBondContact O-CA 3.48Å; V424-L432 HydrophobicContact CB-CB 4.4Å; V424-L432 PolarHBondContact N-O 3.42Å; V424-L432 PolarHBondContact O-N 2.85Å
425	I	97.4	Very high	94.5	Very high	22 Å²	22	51.2 Å²	51.2	11%	0.113	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.6	-170	-51	177	0	0	0	109.4	L412 K413 Q415 H423 K430 R431	L412-I425 WeakPolarHBondContact CA-O 3.42Å; K413-I425 HydrophobicContact CB-CB 4.14Å; K413-I425 HydrophobicContact CD-CD1 4.35Å; K413-I425 HydrophobicContact CG-CD1 4.46Å; K413-I425 PolarHBondContact N-O 2.93Å; K413-I425 PolarHBondContact O-N 3.46Å; Q415-I425 HydrophobicContact CB-CD1 4.35Å; H423-I425 HydrophobicContact CB-CD1 4.5Å; H423-I425 HydrophobicContact CB-CG1 4.22Å; I425-K430 WeakPolarHBondContact CA-O 3.26Å; I425-R431 HydrophobicContact CG1-CG 4.16Å; I425-R431 HydrophobicContact CG2-CG 4.36Å
426	W	96.6	Very high	94.3	Very high	12 Å²	12	47.5 Å²	47.5	5%	0.045	23%	0.23	C	C	.	.			trans	-80.3	161.3	176.2	-81.2	-106.5	0	0	0	111.4	M383 E384 L412 V424 D428 G429 K430 L432	M383-W426 HydrophobicContact CB-CH2 4.13Å; M383-W426 HydrophobicContact CB-CZ2 4.11Å; M383-W426 WeakPolarHBondContact O-CZ2 3.3Å; E384-W426 HydrophobicContact CB-CZ2 4.49Å; L412-W426 HydrophobicContact CD2-CB 4.34Å; L412-W426 HydrophobicContact CD2-CD2 3.95Å; L412-W426 HydrophobicContact CD2-CG 3.78Å; V424-W426 HydrophobicContact CB-CZ3 4.27Å; V424-W426 HydrophobicContact CG1-CH2 4.36Å; V424-W426 HydrophobicContact CG1-CZ3 4.13Å; V424-W426 VanDerWaalsContact O-CZ3 3.31Å; V424-W426 WeakPolarHBondContact O-CZ3 3.25Å; W426-D428 WeakPolarHBondContact CB-OD1 3.41Å; W426-D428 PolarHBondContact O-N 3.11Å; W426-D428 VanDerWaalsContact O-N 3.16Å; W426-G429 WeakPolarHBondContact O-CA 3.41Å; W426-G429 PolarHBondContact O-N 3.42Å; W426-K430 HydrophobicContact CB-CB 4.31Å; W426-K430 VanDerWaalsContact CE3-CE 3.45Å; W426-K430 PolarHBondContact N-O 3.39Å; W426-L432 HydrophobicContact CH2-CB 3.82Å; W426-L432 HydrophobicContact CH2-CD2 4.14Å; W426-L432 HydrophobicContact CH2-CG 4.45Å; W426-L432 HydrophobicContact CZ3-CB 3.48Å; W426-L432 VanDerWaalsContact CZ3-CB 3.48Å
427	P	94.6	Very high	94.2	Very high	106 Å²	106	43.1 Å²	43.1	69%	0.688	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.8	176.8	-27.5	35.5	0	0	0	114.7	D411 G429	D411-P427 HydrophobicContact CB-CG 4.48Å; P427-G429 PolarHBondContact O-N 3.02Å
428	D	94.1	Very high	94.1	Very high	117 Å²	117	39.3 Å²	39.3	63%	0.626	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.9	175.8	70.4	-9.6	0	0	0	113.6	W426 K430	W426-D428 WeakPolarHBondContact CB-OD1 3.41Å; W426-D428 PolarHBondContact O-N 3.11Å; W426-D428 VanDerWaalsContact O-N 3.16Å; D428-K430 VanDerWaalsContact C-N 3.33Å; D428-K430 WeakPolarHBondContact OD1-CB 3.08Å; D428-K430 PolarHBondContact OD1-N 3.46Å
429	G	93.6	Very high	94.1	Very high	24 Å²	24	38.7 Å²	38.7	25%	0.247	19%	0.194	C	C	.	.	S	Bend	trans	79.3	8.8	-176.8	0	0	0	0	0	114.4	R388 W426 P427	R388-G429 PolarHBondContact NH2-O 3.48Å; W426-G429 WeakPolarHBondContact O-CA 3.41Å; W426-G429 PolarHBondContact O-N 3.42Å; P427-G429 PolarHBondContact O-N 3.02Å
430	K	96	Very high	94.1	Very high	20 Å²	20	34.8 Å²	34.8	9%	0.087	17%	0.173	C	C	.	.			trans	-65.3	140.1	167.1	-173.1	-169.9	64.8	157	0	109.4	M383 E384 M386 R388 I425 W426 D428	M383-K430 PolarHBondContact O-NZ 2.99Å; E384-K430 PolarHBondContact O-NZ 3.37Å; M386-K430 VanDerWaalsContact O-CD 3.32Å; M386-K430 WeakPolarHBondContact O-CD 3.41Å; R388-K430 HydrophobicContact CB-CG 4.24Å; I425-K430 WeakPolarHBondContact CA-O 3.26Å; W426-K430 HydrophobicContact CB-CB 4.31Å; W426-K430 VanDerWaalsContact CE3-CE 3.45Å; W426-K430 PolarHBondContact N-O 3.39Å; D428-K430 VanDerWaalsContact C-N 3.33Å; D428-K430 WeakPolarHBondContact OD1-CB 3.08Å; D428-K430 PolarHBondContact OD1-N 3.46Å
431	R	95.4	Very high	94	Very high	124 Å²	124	33.2 Å²	33.2	47%	0.468	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.8	-177.9	-51.1	-176.8	-175.4	171.4	-1.9	109.6	G389 V424 I425	G389-R431 PolarHBondContact N-O 2.87Å; V424-R431 WeakPolarHBondContact O-CA 3.48Å; I425-R431 HydrophobicContact CG1-CG 4.16Å; I425-R431 HydrophobicContact CG2-CG 4.36Å
432	L	97.2	Very high	93.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.8	168.8	-171.9	81.1	0	0	0	108.7	M383 M386 C390 V392 H423 V424 W426	M383-L432 HydrophobicContact CB-CD2 4.23Å; M383-L432 HydrophobicContact CG-CD2 4.1Å; M383-L432 HydrophobicContact SD-CD2 3.87Å; M386-L432 HydrophobicContact CB-CD1 4.32Å; M386-L432 HydrophobicContact SD-CD1 3.59Å; M386-L432 VanDerWaalsContact SD-CD1 3.59Å; C390-L432 HydrophobicContact CB-CD1 4.1Å; V392-L432 HydrophobicContact CB-CD2 4.43Å; V392-L432 HydrophobicContact CG2-CD1 3.53Å; V392-L432 HydrophobicContact CG2-CD2 3.98Å; V392-L432 HydrophobicContact CG2-CG 3.92Å; H423-L432 WeakPolarHBondContact CA-O 3.37Å; V424-L432 HydrophobicContact CB-CB 4.4Å; V424-L432 PolarHBondContact N-O 3.42Å; V424-L432 PolarHBondContact O-N 2.85Å; W426-L432 HydrophobicContact CH2-CB 3.82Å; W426-L432 HydrophobicContact CH2-CD2 4.14Å; W426-L432 HydrophobicContact CH2-CG 4.45Å; W426-L432 HydrophobicContact CZ3-CB 3.48Å; W426-L432 VanDerWaalsContact CZ3-CB 3.48Å
433	V	97.3	Very high	92.5	Very high	19 Å²	19	37.6 Å²	37.6	12%	0.115	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	104.7	172.3	-172.4	0	0	0	0	107.7	C390 I391 V392 V421 L435	C390-V433 PolarHBondContact O-N 3.5Å; I391-V433 CarbonylContact C-O 3.59Å; I391-V433 WeakPolarHBondContact CA-O 3.35Å; I391-V433 HydrophobicContact CG1-CB 4.03Å; I391-V433 HydrophobicContact CG1-CG1 4.36Å; I391-V433 HydrophobicContact CG1-CG2 4.35Å; V392-V433 PolarHBondContact N-O 3.22Å; V421-V433 HydrophobicContact CG1-CG1 4.04Å; V433-L435 HydrophobicContact CG1-CD2 3.88Å
434	L	96.9	Very high	91.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.8	176.8	-178.5	65.8	0	0	0	109.4	V392 I402 V404 L407 W414 D422	V392-L434 HydrophobicContact CB-CD1 4.44Å; I402-L434 HydrophobicContact CD1-CD1 4.48Å; I402-L434 HydrophobicContact CG2-CD1 4.48Å; V404-L434 HydrophobicContact CG1-CD2 4.16Å; V404-L434 HydrophobicContact CG2-CD2 4.2Å; L407-L434 HydrophobicContact CD1-CD2 4.44Å; W414-L434 HydrophobicContact CH2-CD2 3.5Å; W414-L434 VanDerWaalsContact CH2-CD2 3.5Å; W414-L434 HydrophobicContact CZ2-CD2 4.04Å; W414-L434 HydrophobicContact CZ3-CD2 4.34Å; D422-L434 PolarHBondContact N-O 3.01Å; D422-L434 PolarHBondContact O-N 2.96Å
435	L	95.2	Very high	90.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.8	178.2	-49.9	-173.8	0	0	0	111.3	L299 T302 T303 I391 V392 C393 Q420 V421 V433 E437 G438 M441	L299-L435 HydrophobicContact CD2-CD1 4.04Å; T302-L435 WeakPolarHBondContact OG1-CD1 3.46Å; T303-L435 HydrophobicContact CG2-CD1 4.1Å; T303-L435 HydrophobicContact CG2-CD2 3.95Å; I391-L435 HydrophobicContact CG2-CD1 3.75Å; I391-L435 HydrophobicContact CG2-CG 4.01Å; V392-L435 PolarHBondContact O-N 3.26Å; C393-L435 HydrophobicContact CB-CB 3.81Å; C393-L435 HydrophobicContact CB-CD1 3.8Å; C393-L435 HydrophobicContact CB-CG 4.02Å; Q420-L435 CarbonylContact O-C 3.54Å; Q420-L435 WeakPolarHBondContact O-CA 3.46Å; V421-L435 HydrophobicContact CG1-CD2 4.15Å; V421-L435 HydrophobicContact CG2-CD2 4.13Å; V433-L435 HydrophobicContact CG1-CD2 3.88Å; L435-E437 PolarHBondContact O-N 3.48Å; L435-G438 PolarHBondContact O-N 2.75Å; L435-M441 HydrophobicContact CB-CE 3.81Å; L435-M441 HydrophobicContact CB-SD 3.3Å; L435-M441 WeakPolarHBondContact CB-SD 3.32Å; L435-M441 HydrophobicContact CD1-CE 3.66Å; L435-M441 HydrophobicContact CD1-SD 4.21Å; L435-M441 HydrophobicContact CG-CE 4.38Å; L435-M441 HydrophobicContact CG-SD 4.4Å
436	A	91.6	Very high	89.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	49.7	26.6	179.3	0	0	0	0	0	115.2	Q420 G438 R439 M441	Q420-A436 HydrophobicContact CB-CB 4.31Å; Q420-A436 PolarHBondContact O-N 3.36Å; A436-G438 PolarHBondContact O-N 2.83Å; A436-G438 VanDerWaalsContact O-N 3.14Å; A436-R439 HydrophobicContact CB-CB 4.36Å; A436-R439 WeakPolarHBondContact O-CB 3.35Å; A436-R439 WeakPolarHBondContact O-CG 3.26Å; A436-R439 PolarHBondContact O-N 3.09Å; A436-R439 PolarHBondContact O-NE 3.28Å; A436-M441 HydrophobicContact CB-SD 3.69Å
437	E	92.1	Very high	88.6	Confident	56 Å²	56	41.1 Å²	41.1	26%	0.262	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	52	32.4	-173.1	-52.9	-172.4	-142.7	0	0	113.1	V404 R408 W414 D422 L435 R439	V404-E437 WeakPolarHBondContact CG2-O 3.28Å; R408-E437 IonicContact CZ-OE2 2.97Å; R408-E437 IonicContact NH2-OE2 3.55Å; R408-E437 PolarHBondContact NH2-OE2 3.47Å; W414-E437 HydrophobicContact CZ2-CG 4.21Å; D422-E437 WeakPolarHBondContact OD2-CG 3.37Å; L435-E437 PolarHBondContact O-N 3.48Å; E437-R439 VanDerWaalsContact C-N 3.27Å; E437-R439 PolarHBondContact O-N 3.4Å
438	G	90.3	Very high	88.2	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	78	2.7	-177.5	0	0	0	0	0	115.6	N394 L435 A436	N394-G438 WeakPolarHBondContact CB-O 3.22Å; N394-G438 PolarHBondContact ND2-O 2.47Å; L435-G438 PolarHBondContact O-N 2.75Å; A436-G438 PolarHBondContact O-N 2.83Å; A436-G438 VanDerWaalsContact O-N 3.14Å
439	R	87.7	Confident	88	Confident	99 Å²	99	34 Å²	34	37%	0.374	18%	0.179	S	C	.	.	S	Bend	trans	-70.1	172	170.4	-61	-177.5	-71.6	-180	-4.4	111.2	A436 E437 M441	A436-R439 HydrophobicContact CB-CB 4.36Å; A436-R439 WeakPolarHBondContact O-CB 3.35Å; A436-R439 WeakPolarHBondContact O-CG 3.26Å; A436-R439 PolarHBondContact O-N 3.09Å; A436-R439 PolarHBondContact O-NE 3.28Å; E437-R439 VanDerWaalsContact C-N 3.27Å; E437-R439 PolarHBondContact O-N 3.4Å; R439-M441 PolarHBondContact O-N 2.8Å
440	Q	86.5	Confident	88	Confident	59 Å²	59	34 Å²	34	28%	0.276	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-61.4	115.3	178.8	-61.2	161.1	-7.6	0	0	109.8	G396 R397 Y442 T443 S444	G396-Q440 WeakPolarHBondContact O-CG 3.2Å; R397-Q440 PolarHBondContact O-NE2 2.89Å; Q440-Y442 HydrophobicContact CB-CD1 4.3Å; Q440-Y442 HydrophobicContact CB-CE1 3.85Å; Q440-Y442 HydrophobicContact CG-CE1 4.24Å; Q440-Y442 PolarHBondContact O-N 2.98Å; Q440-T443 WeakPolarHBondContact CB-OG1 3.26Å; Q440-T443 PolarHBondContact O-OG1 3.34Å; Q440-T443 VanDerWaalsContact O-OG1 3.1Å; Q440-T443 PolarHBondContact OE1-OG1 2.88Å; Q440-S444 WeakPolarHBondContact O-CB 3.37Å; Q440-S444 PolarHBondContact O-N 2.93Å; Q440-S444 PolarHBondContact O-OG 2.94Å
441	M	87.6	Confident	87.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-41.8	-175.9	-80.2	-66.1	-63.1	0	0	113.1	C298 T302 C393 N394 M395 L435 A436 R439 T443 S444 C445	C298-M441 HydrophobicContact CB-CE 3.54Å; C298-M441 PolarHBondContact SG-O 3.39Å; T302-M441 HydrophobicContact CG2-CE 4.21Å; C393-M441 HydrophobicContact CB-CG 3.73Å; C393-M441 HydrophobicContact CB-SD 4.09Å; N394-M441 WeakPolarHBondContact O-CB 3.17Å; N394-M441 WeakPolarHBondContact O-CG 3.45Å; N394-M441 PolarHBondContact O-N 2.81Å; M395-M441 HydrophobicContact SD-CB 3.65Å; M395-M441 HydrophobicContact SD-CG 4.5Å; L435-M441 HydrophobicContact CB-CE 3.81Å; L435-M441 HydrophobicContact CB-SD 3.3Å; L435-M441 WeakPolarHBondContact CB-SD 3.32Å; L435-M441 HydrophobicContact CD1-CE 3.66Å; L435-M441 HydrophobicContact CD1-SD 4.21Å; L435-M441 HydrophobicContact CG-CE 4.38Å; L435-M441 HydrophobicContact CG-SD 4.4Å; A436-M441 HydrophobicContact CB-SD 3.69Å; R439-M441 PolarHBondContact O-N 2.8Å; M441-T443 VanDerWaalsContact C-N 3.27Å; M441-T443 PolarHBondContact O-N 3.19Å; M441-S444 PolarHBondContact O-N 3.19Å; M441-S444 VanDerWaalsContact O-N 3.13Å; M441-C445 HydrophobicContact CE-CB 3.64Å; M441-C445 VanDerWaalsContact CE-SG 3.6Å; M441-C445 WeakPolarHBondContact O-CA 3.12Å; M441-C445 WeakPolarHBondContact O-CB 3.32Å; M441-C445 PolarHBondContact O-N 3.28Å; M441-C445 HydrophobicContact SD-CB 4.37Å
442	Y	81.2	Confident	87.9	Confident	28 Å²	28	29.3 Å²	29.3	11%	0.11	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-28.1	-173.8	65	-86	0	0	0	113	L291 M395 Q440	L291-Y442 HydrophobicContact CD2-CD1 3.73Å; L291-Y442 HydrophobicContact CD2-CD2 3.89Å; L291-Y442 HydrophobicContact CD2-CE1 4.32Å; L291-Y442 HydrophobicContact CD2-CE2 4.43Å; L291-Y442 HydrophobicContact CD2-CG 3.5Å; M395-Y442 HydrophobicContact CE-CD1 4.48Å; Q440-Y442 HydrophobicContact CB-CD1 4.3Å; Q440-Y442 HydrophobicContact CB-CE1 3.85Å; Q440-Y442 HydrophobicContact CG-CE1 4.24Å; Q440-Y442 PolarHBondContact O-N 2.98Å
443	T	76.6	Confident	87.8	Confident	69 Å²	69	31.2 Å²	31.2	42%	0.423	17%	0.17	S	C	.	.	H	α-helix	trans	-86.4	-27.5	172.5	53.6	0	0	0	0	112.8	Q440 M441	Q440-T443 WeakPolarHBondContact CB-OG1 3.26Å; Q440-T443 PolarHBondContact O-OG1 3.34Å; Q440-T443 VanDerWaalsContact O-OG1 3.1Å; Q440-T443 PolarHBondContact OE1-OG1 2.88Å; M441-T443 VanDerWaalsContact C-N 3.27Å; M441-T443 PolarHBondContact O-N 3.19Å
444	S	74.6	Confident	87.8	Confident	32 Å²	32	30.3 Å²	30.3	22%	0.224	17%	0.165	C	C	.	.	H	α-helix	trans	-93.2	-25.6	-173.7	-54.9	0	0	0	0	114.2	Q440 M441	Q440-S444 WeakPolarHBondContact O-CB 3.37Å; Q440-S444 PolarHBondContact O-N 2.93Å; Q440-S444 PolarHBondContact O-OG 2.94Å; M441-S444 PolarHBondContact O-N 3.19Å; M441-S444 VanDerWaalsContact O-N 3.13Å
445	C	77.1	Confident	87.8	Confident	15 Å²	15	30.4 Å²	30.4	10%	0.101	17%	0.165	C	C	.	.	S	Bend	trans	-136.3	1	-164.5	-60.3	0	0	0	0	114.3	C298 T302 Q420 M441	C298-C445 HydrophobicContact CB-CB 4.37Å; T302-C445 HydrophobicContact CG2-CB 4.08Å; Q420-C445 WeakPolarHBondContact CB-SG 3.31Å; M441-C445 HydrophobicContact CE-CB 3.64Å; M441-C445 VanDerWaalsContact CE-SG 3.6Å; M441-C445 WeakPolarHBondContact O-CA 3.12Å; M441-C445 WeakPolarHBondContact O-CB 3.32Å; M441-C445 PolarHBondContact O-N 3.28Å; M441-C445 HydrophobicContact SD-CB 4.37Å
446	S	78.9	Confident	87.8	Confident	22 Å²	22	30.6 Å²	30.6	15%	0.154	17%	0.167	C	C	.	.			trans	-136.8	166.5	-178.9	-172.4	0	0	0	0	110.6	S294 D297 C298	S294-S446 WeakPolarHBondContact CA-OG 3.09Å; S294-S446 PolarHBondContact OG-OG 3.37Å; D297-S446 PolarHBondContact OD2-OG 3.05Å; C298-S446 VanDerWaalsContact SG-CB 3.57Å
447	C	76.4	Confident	88.1	Confident	73 Å²	73	30.9 Å²	30.9	49%	0.493	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-98	146.2	163.8	-175.4	0	0	0	0	109.3
448	I	85	Confident	88.3	Confident	40 Å²	40	28.2 Å²	28.2	21%	0.205	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-85	127.5	168	-61.1	176	0	0	0	107.4	S450 V452 L453	I448-S450 PolarHBondContact O-N 2.9Å; I448-V452 HydrophobicContact CG2-CB 4.03Å; I448-V452 HydrophobicContact CG2-CG1 3.98Å; I448-L453 HydrophobicContact CB-CD1 4.24Å; I448-L453 HydrophobicContact CB-CG 4.35Å; I448-L453 HydrophobicContact CG2-CD1 4.22Å; I448-L453 HydrophobicContact CG2-CD2 3.97Å; I448-L453 HydrophobicContact CG2-CG 3.79Å
449	P	90.6	Very high	88.7	Confident	34 Å²	34	28.2 Å²	28.2	22%	0.221	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-57.1	135	179.5	-25.6	34.4	0	0	0	112.5	L451 V452 L453	P449-L451 PolarHBondContact O-N 2.86Å; P449-L451 VanDerWaalsContact O-N 3.13Å; P449-V452 HydrophobicContact CB-CG2 4.32Å; P449-V452 WeakPolarHBondContact O-CB 3.31Å; P449-V452 PolarHBondContact O-N 3.18Å; P449-L453 PolarHBondContact O-N 2.91Å
450	S	93.9	Very high	89.1	Confident	24 Å²	24	23.7 Å²	23.7	17%	0.168	14%	0.14	C	C	.	.	H	α-helix	trans	-54	-34.6	-179.4	-54.6	0	0	0	0	113.1	E124 Q155 I448 V452 L453 S454	E124-S450 CarbonylContact O-C 3.55Å; Q155-S450 PolarHBondContact NE2-OG 2.66Å; I448-S450 PolarHBondContact O-N 2.9Å; S450-V452 VanDerWaalsContact C-N 3.32Å; S450-V452 PolarHBondContact O-N 3.47Å; S450-L453 CarbonylContact O-C 3.55Å; S450-L453 PolarHBondContact O-N 2.94Å; S450-S454 PolarHBondContact O-N 2.99Å
451	L	94.9	Very high	89.7	Confident	38 Å²	38	20.9 Å²	20.9	20%	0.199	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-36.9	174.3	178.5	69.4	0	0	0	113.1	E124 P126 P449 S454 V455 F498	E124-L451 WeakPolarHBondContact O-CA 3.32Å; E124-L451 PolarHBondContact O-N 2.77Å; P126-L451 HydrophobicContact CG-CD1 4.06Å; P449-L451 PolarHBondContact O-N 2.86Å; P449-L451 VanDerWaalsContact O-N 3.13Å; L451-S454 VanDerWaalsContact O-CB 3.25Å; L451-S454 WeakPolarHBondContact O-CB 3.44Å; L451-S454 PolarHBondContact O-N 3.3Å; L451-V455 PolarHBondContact O-N 2.87Å; L451-F498 HydrophobicContact CD1-CZ 4.44Å; L451-F498 HydrophobicContact CD2-CZ 3.73Å
452	V	93.9	Very high	90.1	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-68	-42.8	176	172.5	0	0	0	0	109.6	F285 D286 I448 P449 S450 S454 V455 T456	F285-V452 HydrophobicContact CB-CG1 4.21Å; F285-V452 HydrophobicContact CB-CG2 4.46Å; D286-V452 HydrophobicContact CB-CG1 4.37Å; I448-V452 HydrophobicContact CG2-CB 4.03Å; I448-V452 HydrophobicContact CG2-CG1 3.98Å; P449-V452 HydrophobicContact CB-CG2 4.32Å; P449-V452 WeakPolarHBondContact O-CB 3.31Å; P449-V452 PolarHBondContact O-N 3.18Å; S450-V452 VanDerWaalsContact C-N 3.32Å; S450-V452 PolarHBondContact O-N 3.47Å; V452-S454 VanDerWaalsContact C-N 3.28Å; V452-S454 PolarHBondContact O-N 2.87Å; V452-V455 WeakPolarHBondContact O-CB 3.41Å; V452-V455 PolarHBondContact O-N 3.44Å; V452-T456 PolarHBondContact O-N 2.98Å; V452-T456 VanDerWaalsContact O-N 3.12Å; V452-T456 PolarHBondContact O-OG1 3.25Å
453	L	94.5	Very high	90.9	Very high	40 Å²	40	20.2 Å²	20.2	21%	0.209	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-29.5	175.9	-64.5	174.3	0	0	0	112.1	M125 Q155 I448 P449 S450 T456 A457	M125-L453 HydrophobicContact CE-CB 4.42Å; Q155-L453 HydrophobicContact CB-CB 3.99Å; Q155-L453 HydrophobicContact CB-CD1 3.69Å; Q155-L453 HydrophobicContact CB-CG 4.46Å; Q155-L453 HydrophobicContact CG-CB 4.09Å; Q155-L453 HydrophobicContact CG-CD1 3.55Å; Q155-L453 HydrophobicContact CG-CG 4.44Å; I448-L453 HydrophobicContact CB-CD1 4.24Å; I448-L453 HydrophobicContact CB-CG 4.35Å; I448-L453 HydrophobicContact CG2-CD1 4.22Å; I448-L453 HydrophobicContact CG2-CD2 3.97Å; I448-L453 HydrophobicContact CG2-CG 3.79Å; P449-L453 PolarHBondContact O-N 2.91Å; S450-L453 CarbonylContact O-C 3.55Å; S450-L453 PolarHBondContact O-N 2.94Å; L453-T456 PolarHBondContact O-N 3.05Å; L453-A457 WeakPolarHBondContact O-CB 3.32Å; L453-A457 PolarHBondContact O-N 2.85Å
454	S	97.4	Very high	91.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58	-47.4	170.1	-174.9	0	0	0	0	111.6	M125 G127 S450 L451 V452 T458 H494	M125-S454 VanDerWaalsContact C-OG 3.25Å; M125-S454 VanDerWaalsContact CA-OG 3.32Å; M125-S454 WeakPolarHBondContact CA-OG 3.44Å; G127-S454 PolarHBondContact N-OG 2.95Å; G127-S454 VanDerWaalsContact N-OG 3.16Å; S450-S454 PolarHBondContact O-N 2.99Å; L451-S454 VanDerWaalsContact O-CB 3.25Å; L451-S454 WeakPolarHBondContact O-CB 3.44Å; L451-S454 PolarHBondContact O-N 3.3Å; V452-S454 VanDerWaalsContact C-N 3.28Å; V452-S454 PolarHBondContact O-N 2.87Å; S454-T458 VanDerWaalsContact O-CB 3.24Å; S454-T458 WeakPolarHBondContact O-CB 3.42Å; S454-T458 PolarHBondContact O-N 3.29Å; S454-T458 PolarHBondContact O-OG1 3.21Å; S454-H494 PolarHBondContact OG-NE2 3.18Å
455	V	97	Very high	92.9	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-62.3	-49.6	178.6	172.5	0	0	0	0	109.8	F285 L451 V452 T458 T459 V490 H494	F285-V455 HydrophobicContact CB-CG1 4.37Å; F285-V455 HydrophobicContact CD1-CG2 3.92Å; F285-V455 HydrophobicContact CD2-CG1 4.31Å; F285-V455 HydrophobicContact CE1-CG2 4.14Å; F285-V455 HydrophobicContact CG-CB 4.44Å; F285-V455 HydrophobicContact CG-CG1 4.28Å; F285-V455 HydrophobicContact CG-CG2 4.12Å; L451-V455 PolarHBondContact O-N 2.87Å; V452-V455 WeakPolarHBondContact O-CB 3.41Å; V452-V455 PolarHBondContact O-N 3.44Å; V455-T458 PolarHBondContact O-N 2.81Å; V455-T459 PolarHBondContact O-N 3.5Å; V455-T459 PolarHBondContact O-OG1 3Å; V455-V490 HydrophobicContact CG1-CG1 4.09Å; V455-H494 PolarHBondContact N-NE2 2.75Å
456	T	95.5	Very high	93.8	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-49.7	179	-57.4	0	0	0	0	112.3	E252 K282 V452 L453 T458 T459 Q460	E252-T456 WeakPolarHBondContact OE2-CG2 3.49Å; K282-T456 HydrophobicContact CG-CG2 4.14Å; V452-T456 PolarHBondContact O-N 2.98Å; V452-T456 VanDerWaalsContact O-N 3.12Å; V452-T456 PolarHBondContact O-OG1 3.25Å; L453-T456 PolarHBondContact O-N 3.05Å; T456-T458 PolarHBondContact O-N 2.95Å; T456-T459 WeakPolarHBondContact O-CB 3.39Å; T456-T459 PolarHBondContact O-N 3.22Å; T456-Q460 WeakPolarHBondContact O-CG 3.24Å; T456-Q460 PolarHBondContact O-N 3.16Å
457	A	97.5	Very high	94.6	Very high	5 Å²	5	15.6 Å²	15.6	4%	0.041	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-40	179.7	0	0	0	0	0	112	M125 L128 L159 L453 T459 Q460 I461	M125-A457 HydrophobicContact CE-CB 4Å; L128-A457 HydrophobicContact CD1-CB 4.04Å; L128-A457 HydrophobicContact CD2-CB 3.96Å; L128-A457 HydrophobicContact CG-CB 4.38Å; L159-A457 HydrophobicContact CB-CB 4.18Å; L159-A457 HydrophobicContact CD1-CB 4.14Å; L453-A457 WeakPolarHBondContact O-CB 3.32Å; L453-A457 PolarHBondContact O-N 2.85Å; A457-T459 VanDerWaalsContact C-N 3.33Å; A457-T459 PolarHBondContact O-N 3.03Å; A457-Q460 WeakPolarHBondContact O-CB 3.45Å; A457-Q460 PolarHBondContact O-N 2.93Å; A457-I461 VanDerWaalsContact O-CG1 3.29Å; A457-I461 WeakPolarHBondContact O-CG1 3.42Å; A457-I461 PolarHBondContact O-N 3.4Å
458	T	97.8	Very high	95.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-42.4	175.4	-56.5	0	0	0	0	110.9	S454 V455 T456 I461 I462 V490 L493	S454-T458 VanDerWaalsContact O-CB 3.24Å; S454-T458 WeakPolarHBondContact O-CB 3.42Å; S454-T458 PolarHBondContact O-N 3.29Å; S454-T458 PolarHBondContact O-OG1 3.21Å; V455-T458 PolarHBondContact O-N 2.81Å; T456-T458 PolarHBondContact O-N 2.95Å; T458-I461 PolarHBondContact O-N 2.9Å; T458-I462 HydrophobicContact CG2-CD1 3.89Å; T458-I462 WeakPolarHBondContact O-CG1 3.47Å; T458-I462 PolarHBondContact O-N 3.06Å; T458-V490 HydrophobicContact CG2-CG1 4.18Å; T458-V490 HydrophobicContact CG2-CG2 4.29Å; T458-L493 HydrophobicContact CG2-CD1 3.54Å
459	T	97.2	Very high	96	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-44.1	174.8	-60	0	0	0	0	111.8	I276 T281 V455 T456 A457 I462 A463 M482 V490	I276-T459 HydrophobicContact CB-CG2 3.76Å; I276-T459 HydrophobicContact CD1-CG2 4.35Å; I276-T459 HydrophobicContact CG2-CG2 3.91Å; T281-T459 PolarHBondContact OG1-OG1 3.14Å; V455-T459 PolarHBondContact O-N 3.5Å; V455-T459 PolarHBondContact O-OG1 3Å; T456-T459 WeakPolarHBondContact O-CB 3.39Å; T456-T459 PolarHBondContact O-N 3.22Å; A457-T459 VanDerWaalsContact C-N 3.33Å; A457-T459 PolarHBondContact O-N 3.03Å; T459-I462 PolarHBondContact O-N 3.36Å; T459-A463 WeakPolarHBondContact O-CB 3.41Å; T459-A463 PolarHBondContact O-N 3.03Å; T459-M482 HydrophobicContact CG2-CE 3.71Å; T459-M482 HydrophobicContact CG2-SD 3.74Å; T459-V490 WeakPolarHBondContact OG1-CG2 3.4Å
460	Q	97.2	Very high	95.9	Very high	5 Å²	5	13.9 Å²	13.9	2%	0.023	8%	0.082	C	C	.	.	H	α-helix	trans	-57.3	-50.6	175.1	-74.6	172.2	-19.1	0	0	111.5	V225 V250 E252 I276 T456 A457 I462 A463 L464	V225-Q460 HydrophobicContact CG1-CG 4.31Å; V250-Q460 HydrophobicContact CG1-CG 4.35Å; E252-Q460 PolarHBondContact OE1-NE2 3.46Å; E252-Q460 PolarHBondContact OE2-NE2 3.18Å; I276-Q460 HydrophobicContact CD1-CB 4.21Å; I276-Q460 HydrophobicContact CD1-CG 3.2Å; T456-Q460 WeakPolarHBondContact O-CG 3.24Å; T456-Q460 PolarHBondContact O-N 3.16Å; A457-Q460 WeakPolarHBondContact O-CB 3.45Å; A457-Q460 PolarHBondContact O-N 2.93Å; Q460-I462 PolarHBondContact O-N 3.35Å; Q460-A463 PolarHBondContact O-N 3.24Å; Q460-L464 VanDerWaalsContact O-CG 3.28Å; Q460-L464 WeakPolarHBondContact O-CG 3.44Å; Q460-L464 PolarHBondContact O-N 3.42Å
461	I	98.1	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-43.5	-178.3	-66	169.8	0	0	0	111.4	L128 L131 L159 T162 L163 L166 A457 T458 A463 L464 I465	L128-I461 HydrophobicContact CD2-CD1 3.37Å; L131-I461 HydrophobicContact CD2-CB 4.03Å; L131-I461 HydrophobicContact CD2-CD1 4.31Å; L131-I461 HydrophobicContact CD2-CG2 3.49Å; L131-I461 VanDerWaalsContact CD2-CG2 3.49Å; L159-I461 HydrophobicContact CD1-CD1 3.76Å; L159-I461 HydrophobicContact CD1-CG1 3.6Å; T162-I461 HydrophobicContact CG2-CD1 3.55Å; L163-I461 HydrophobicContact CD2-CG1 3.85Å; L163-I461 HydrophobicContact CG-CG1 4.3Å; L166-I461 HydrophobicContact CD1-CD1 4.46Å; L166-I461 HydrophobicContact CD1-CG2 3.35Å; A457-I461 VanDerWaalsContact O-CG1 3.29Å; A457-I461 WeakPolarHBondContact O-CG1 3.42Å; A457-I461 PolarHBondContact O-N 3.4Å; T458-I461 PolarHBondContact O-N 2.9Å; I461-A463 VanDerWaalsContact C-N 3.32Å; I461-A463 PolarHBondContact O-N 3.01Å; I461-L464 WeakPolarHBondContact O-CB 3.37Å; I461-L464 PolarHBondContact O-N 3.04Å; I461-I465 HydrophobicContact CG2-CD1 3.76Å; I461-I465 HydrophobicContact CG2-CG1 4.29Å; I461-I465 VanDerWaalsContact O-CG1 3.31Å; I461-I465 WeakPolarHBondContact O-CG1 3.46Å; I461-I465 PolarHBondContact O-N 2.87Å
462	I	97.2	Very high	94.7	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.067	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-41	178.9	-71.9	163.5	0	0	0	110.8	T458 T459 Q460 L464 I465 D466 M482 M486 Y489 V490 L493	T458-I462 HydrophobicContact CG2-CD1 3.89Å; T458-I462 WeakPolarHBondContact O-CG1 3.47Å; T458-I462 PolarHBondContact O-N 3.06Å; T459-I462 PolarHBondContact O-N 3.36Å; Q460-I462 PolarHBondContact O-N 3.35Å; I462-L464 PolarHBondContact O-N 3.48Å; I462-I465 PolarHBondContact O-N 2.84Å; I462-D466 PolarHBondContact O-N 3.38Å; I462-M482 HydrophobicContact CG2-SD 4.49Å; I462-M486 HydrophobicContact CG2-CB 3.76Å; I462-M486 HydrophobicContact CG2-CG 3.87Å; I462-M486 HydrophobicContact CG2-SD 4.04Å; I462-Y489 HydrophobicContact CD1-CD1 3.73Å; I462-Y489 HydrophobicContact CD1-CE1 4.27Å; I462-V490 HydrophobicContact CD1-CG2 3.48Å; I462-V490 VanDerWaalsContact CD1-CG2 3.48Å; I462-L493 HydrophobicContact CD1-CD1 4.22Å
463	A	97	Very high	94	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-41.5	173.8	0	0	0	0	0	112.3	V250 M274 I276 T459 Q460 I461 D466 L467	V250-A463 HydrophobicContact CG1-CB 3.93Å; V250-A463 HydrophobicContact CG2-CB 3.76Å; M274-A463 HydrophobicContact CB-CB 4.32Å; M274-A463 HydrophobicContact CG-CB 3.93Å; I276-A463 HydrophobicContact CG2-CB 3.77Å; T459-A463 WeakPolarHBondContact O-CB 3.41Å; T459-A463 PolarHBondContact O-N 3.03Å; Q460-A463 PolarHBondContact O-N 3.24Å; I461-A463 VanDerWaalsContact C-N 3.32Å; I461-A463 PolarHBondContact O-N 3.01Å; A463-D466 PolarHBondContact O-N 2.84Å; A463-L467 WeakPolarHBondContact O-CG 3.48Å; A463-L467 PolarHBondContact O-N 3.31Å
464	L	97.6	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-44.4	175.6	-69.6	163.3	0	0	0	112.1	L141 I146 L163 L223 V225 V250 Q460 I461 I462 D466 L467 H468	L141-L464 HydrophobicContact CD2-CB 4.22Å; I146-L464 HydrophobicContact CD1-CD1 4.25Å; I146-L464 HydrophobicContact CD1-CD2 4.46Å; I146-L464 HydrophobicContact CG2-CD2 4.39Å; L163-L464 HydrophobicContact CD1-CD1 4.49Å; L163-L464 HydrophobicContact CD2-CD1 3.69Å; L223-L464 HydrophobicContact CB-CD2 4.02Å; L223-L464 HydrophobicContact CD1-CD2 3.96Å; L223-L464 HydrophobicContact CG-CD2 4.41Å; V225-L464 HydrophobicContact CG2-CD1 3.36Å; V225-L464 HydrophobicContact CG2-CD2 3.61Å; V225-L464 HydrophobicContact CG2-CG 3.9Å; V250-L464 HydrophobicContact CB-CD2 4.43Å; V250-L464 HydrophobicContact CG2-CD2 3.77Å; V250-L464 HydrophobicContact CG2-CG 3.97Å; Q460-L464 VanDerWaalsContact O-CG 3.28Å; Q460-L464 WeakPolarHBondContact O-CG 3.44Å; Q460-L464 PolarHBondContact O-N 3.42Å; I461-L464 WeakPolarHBondContact O-CB 3.37Å; I461-L464 PolarHBondContact O-N 3.04Å; I462-L464 PolarHBondContact O-N 3.48Å; L464-D466 VanDerWaalsContact C-N 3.31Å; L464-D466 PolarHBondContact O-N 3.37Å; L464-L467 PolarHBondContact O-N 3.22Å; L464-H468 VanDerWaalsContact O-CB 3.25Å; L464-H468 WeakPolarHBondContact O-CB 3.48Å; L464-H468 PolarHBondContact O-N 3.34Å
465	I	96.9	Very high	93.5	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.118	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-45	177.2	-71.5	168.5	0	0	0	109.9	P140 L141 L166 I461 I462 H468 S469	P140-I465 HydrophobicContact CB-CD1 4.3Å; P140-I465 HydrophobicContact CB-CG1 4.18Å; P140-I465 HydrophobicContact CB-CG2 4.08Å; P140-I465 HydrophobicContact CG-CD1 3.73Å; P140-I465 HydrophobicContact CG-CG1 4.01Å; L141-I465 HydrophobicContact CD1-CG1 4.34Å; L141-I465 HydrophobicContact CD2-CB 4.49Å; L141-I465 HydrophobicContact CD2-CG1 3.86Å; L141-I465 HydrophobicContact CG-CG1 3.9Å; L166-I465 HydrophobicContact CD1-CD1 4.48Å; I461-I465 HydrophobicContact CG2-CD1 3.76Å; I461-I465 HydrophobicContact CG2-CG1 4.29Å; I461-I465 VanDerWaalsContact O-CG1 3.31Å; I461-I465 WeakPolarHBondContact O-CG1 3.46Å; I461-I465 PolarHBondContact O-N 2.87Å; I462-I465 PolarHBondContact O-N 2.84Å; I465-H468 PolarHBondContact O-N 2.99Å; I465-S469 VanDerWaalsContact O-CB 3.27Å; I465-S469 WeakPolarHBondContact O-CB 3.39Å; I465-S469 PolarHBondContact O-N 2.91Å; I465-S469 PolarHBondContact O-OG 2.84Å
466	D	95.5	Very high	93.3	Very high	12 Å²	12	35 Å²	35	6%	0.064	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-45.2	179.8	-174.9	64.2	0	0	0	111.8	I462 A463 L464 H468 S470 R474 Y475 M486	I462-D466 PolarHBondContact O-N 3.38Å; A463-D466 PolarHBondContact O-N 2.84Å; L464-D466 VanDerWaalsContact C-N 3.31Å; L464-D466 PolarHBondContact O-N 3.37Å; D466-H468 PolarHBondContact O-N 2.97Å; D466-S470 WeakPolarHBondContact O-CB 3.21Å; D466-S470 PolarHBondContact O-N 3.39Å; D466-S470 PolarHBondContact O-OG 2.98Å; D466-R474 IonicContact OD1-CZ 2.77Å; D466-R474 IonicContact OD1-NH1 3.72Å; D466-R474 IonicContact OD1-NH2 3.69Å; D466-R474 PolarHBondContact OD1-NH2 3.49Å; D466-R474 IonicContact OD2-NH2 2.66Å; D466-R474 PolarHBondContact OD2-NH2 2.92Å; D466-Y475 VanDerWaalsContact OD2-CE2 3.26Å; D466-Y475 WeakPolarHBondContact OD2-CE2 3.45Å; D466-Y475 PolarHBondContact OD2-OH 3.04Å; D466-M486 HydrophobicContact CB-CE 3.67Å; D466-M486 HydrophobicContact CB-SD 4.05Å; D466-M486 WeakPolarHBondContact OD1-CE 3.32Å
467	L	95.9	Very high	93.1	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-40.5	175.1	-72.4	172.4	0	0	0	112.4	L223 V250 P272 M274 A463 L464 Y475	L223-L467 HydrophobicContact CD2-CB 3.82Å; L223-L467 HydrophobicContact CD2-CD1 4.36Å; V250-L467 HydrophobicContact CG2-CD1 3.66Å; P272-L467 HydrophobicContact CB-CD2 4.46Å; P272-L467 HydrophobicContact CG-CD2 4.34Å; M274-L467 HydrophobicContact CB-CD1 4.28Å; M274-L467 HydrophobicContact CE-CD2 4.23Å; M274-L467 HydrophobicContact CE-CG 4.21Å; A463-L467 WeakPolarHBondContact O-CG 3.48Å; A463-L467 PolarHBondContact O-N 3.31Å; L464-L467 PolarHBondContact O-N 3.22Å; L467-Y475 HydrophobicContact CD2-CD2 3.93Å; L467-Y475 HydrophobicContact CD2-CE2 4.22Å
468	H	96.2	Very high	93	Very high	25 Å²	25	43 Å²	43	12%	0.116	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-41.9	-178.8	-171.4	56.9	0	0	0	113	P140 L141 Q142 A144 L223 K247 L464 I465 D466	P140-H468 PolarHBondContact O-CD2 2.88Å; P140-H468 VanDerWaalsContact O-CD2 3.31Å; L141-H468 HydrophobicContact CD2-CB 4.02Å; Q142-H468 PolarHBondContact O-NE2 3.48Å; A144-H468 PolarHBondContact N-CE1 3.24Å; L223-H468 HydrophobicContact CD1-CB 4Å; K247-H468 PolarHBondContact NZ-CE1 2.93Å; K247-H468 VanDerWaalsContact NZ-CE1 3.28Å; K247-H468 PolarHBondContact NZ-ND1 2.95Å; K247-H468 PolarHBondContact NZ-O 3.31Å; L464-H468 VanDerWaalsContact O-CB 3.25Å; L464-H468 WeakPolarHBondContact O-CB 3.48Å; L464-H468 PolarHBondContact O-N 3.34Å; I465-H468 PolarHBondContact O-N 2.99Å; D466-H468 PolarHBondContact O-N 2.97Å
469	S	93.2	Very high	92.9	Very high	56 Å²	56	43.1 Å²	43.1	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-90.1	-11.4	-174.7	66	0	0	0	0	113.8	I465	I465-S469 VanDerWaalsContact O-CB 3.27Å; I465-S469 WeakPolarHBondContact O-CB 3.39Å; I465-S469 PolarHBondContact O-N 2.91Å; I465-S469 PolarHBondContact O-OG 2.84Å
470	S	89.7	Confident	92.8	Very high	29 Å²	29	43.6 Å²	43.6	20%	0.203	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-59.4	138	-179.9	-82.8	0	0	0	0	112.8	D466 Y475	D466-S470 WeakPolarHBondContact O-CB 3.21Å; D466-S470 PolarHBondContact O-N 3.39Å; D466-S470 PolarHBondContact O-OG 2.98Å; S470-Y475 VanDerWaalsContact OG-CE2 3.31Å; S470-Y475 WeakPolarHBondContact OG-CE2 3.17Å
471	L	82.8	Confident	92.6	Very high	124 Å²	124	46.6 Å²	46.6	65%	0.649	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-63.3	140.6	171	-64.8	173.6	0	0	0	109.9	G473 R474	L471-G473 PolarHBondContact O-N 2.68Å; L471-R474 WeakPolarHBondContact O-CB 3.23Å; L471-R474 PolarHBondContact O-N 3.43Å
472	A	80.1	Confident	92.3	Very high	112 Å²	112	47.2 Å²	47.2	93%	0.926	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	124.4	175.3	0	0	0	0	0	110.4
473	G	80.4	Confident	92	Very high	70 Å²	70	47.8 Å²	47.8	72%	0.722	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-4.5	-179.3	0	0	0	0	0	116	L471	L471-G473 PolarHBondContact O-N 2.68Å
474	R	89.2	Confident	91.8	Very high	78 Å²	78	49.2 Å²	49.2	29%	0.294	28%	0.278	S	S	.	.	S	Bend	trans	-61.6	-49	172.5	172.6	170.1	167	169	-18.1	111.9	D466 L471	D466-R474 IonicContact OD1-CZ 2.77Å; D466-R474 IonicContact OD1-NH1 3.72Å; D466-R474 IonicContact OD1-NH2 3.69Å; D466-R474 PolarHBondContact OD1-NH2 3.49Å; D466-R474 IonicContact OD2-NH2 2.66Å; D466-R474 PolarHBondContact OD2-NH2 2.92Å; L471-R474 WeakPolarHBondContact O-CB 3.23Å; L471-R474 PolarHBondContact O-N 3.43Å
475	Y	92.2	Very high	91.6	Very high	24 Å²	24	51.4 Å²	51.4	9%	0.094	29%	0.287	C	S	.	.	S	Bend	trans	-103.3	131.3	175.5	-62.8	-65	0	0	0	109.8	V21 P272 M274 D466 L467 S470 Y480	V21-Y475 HydrophobicContact CG2-CD1 4.21Å; V21-Y475 HydrophobicContact CG2-CE1 3.89Å; P272-Y475 HydrophobicContact CB-CG 4.47Å; M274-Y475 HydrophobicContact CE-CE2 4.34Å; D466-Y475 VanDerWaalsContact OD2-CE2 3.26Å; D466-Y475 WeakPolarHBondContact OD2-CE2 3.45Å; D466-Y475 PolarHBondContact OD2-OH 3.04Å; L467-Y475 HydrophobicContact CD2-CD2 3.93Å; L467-Y475 HydrophobicContact CD2-CE2 4.22Å; S470-Y475 VanDerWaalsContact OG-CE2 3.31Å; S470-Y475 WeakPolarHBondContact OG-CE2 3.17Å; Y475-Y480 AromaticContact CD1-CD1 3.85Å; Y475-Y480 HydrophobicContact CD1-CD1 3.85Å; Y475-Y480 AromaticContact CD1-CD2 3.77Å; Y475-Y480 HydrophobicContact CD1-CD2 3.77Å; Y475-Y480 AromaticContact CD1-CE1 3.99Å; Y475-Y480 HydrophobicContact CD1-CE1 3.99Å; Y475-Y480 AromaticContact CD1-CE2 3.91Å; Y475-Y480 HydrophobicContact CD1-CE2 3.91Å; Y475-Y480 AromaticContact CD1-CG 3.74Å; Y475-Y480 HydrophobicContact CD1-CG 3.74Å; Y475-Y480 HydrophobicContact CE1-CD1 4.14Å; Y475-Y480 HydrophobicContact CE1-CG 4.12Å; Y475-Y480 HydrophobicContact CG-CD2 4.45Å; Y475-Y480 HydrophobicContact CG-CE2 4.44Å
476	K	91.2	Very high	91.5	Very high	147 Å²	147	52.1 Å²	52.1	64%	0.639	29%	0.29	S	S	*	.			trans	-86.4	-179.9	170.7	-58.5	-179.1	-179.1	175.3	0	109.2	P272 D478 Y480	P272-K476 WeakPolarHBondContact CA-O 3.42Å; P272-K476 WeakPolarHBondContact CB-O 3.43Å; K476-D478 PolarHBondContact O-N 2.98Å; K476-Y480 WeakPolarHBondContact CB-OH 3.39Å; K476-Y480 PolarHBondContact N-OH 3.48Å; K476-Y480 WeakPolarHBondContact O-CE2 3.05Å
477	K	92.6	Very high	91.5	Very high	141 Å²	141	51.9 Å²	51.9	61%	0.613	29%	0.289	S	S	*	.	S	Bend	trans	-79.8	69.8	179.6	-57.1	177.6	176.3	-172.8	0	110.4	L269 S270	L269-K477 WeakPolarHBondContact O-CB 3.1Å; S270-K477 VanDerWaalsContact O-CD 3.29Å; S270-K477 WeakPolarHBondContact O-CD 3.36Å; S270-K477 WeakPolarHBondContact O-CE 2.92Å; S270-K477 WeakPolarHBondContact O-CG 3.4Å
478	D	94.5	Very high	91.5	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.203	30%	0.298	C	S	.	.	S	Bend	trans	-148.8	173.7	-176.5	-155.6	-20.6	0	0	0	109.5	R19 S264 A273 K476 Y480	R19-D478 WeakPolarHBondContact CD-OD2 3.47Å; R19-D478 WeakPolarHBondContact CG-OD2 3.45Å; S264-D478 PolarHBondContact OG-OD1 2.59Å; A273-D478 PolarHBondContact N-O 2.95Å; K476-D478 PolarHBondContact O-N 2.98Å; D478-Y480 HydrophobicContact CB-CE2 4Å; D478-Y480 WeakPolarHBondContact O-CD2 3.19Å
479	V	95.8	Very high	91.5	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.7	177.7	-173.2	0	0	0	0	109.7	L260 Y261 L269 A273 N275	L260-V479 HydrophobicContact CB-CG2 3.77Å; Y261-V479 HydrophobicContact CD1-CB 3.94Å; Y261-V479 HydrophobicContact CD1-CG1 4.29Å; Y261-V479 HydrophobicContact CD1-CG2 3.98Å; Y261-V479 HydrophobicContact CE1-CB 3.6Å; Y261-V479 HydrophobicContact CE1-CG1 3.75Å; Y261-V479 HydrophobicContact CE1-CG2 4.18Å; Y261-V479 HydrophobicContact CE2-CG1 4.46Å; L269-V479 HydrophobicContact CD2-CG2 3.95Å; A273-V479 CarbonylContact O-C 3.58Å; A273-V479 WeakPolarHBondContact O-CA 3.4Å; N275-V479 HydrophobicContact CB-CG1 3.87Å
480	Y	94.9	Very high	91.7	Very high	10 Å²	10	51.1 Å²	51.1	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.9	-178.1	-68	-89.9	0	0	0	111.4	R19 V21 A273 N275 Y475 K476 D478	R19-Y480 WeakPolarHBondContact O-CD1 3.27Å; V21-Y480 HydrophobicContact CG2-CD1 3.86Å; V21-Y480 HydrophobicContact CG2-CE1 3.73Å; A273-Y480 PolarHBondContact O-N 3.36Å; N275-Y480 PolarHBondContact N-O 3Å; Y475-Y480 AromaticContact CD1-CD1 3.85Å; Y475-Y480 HydrophobicContact CD1-CD1 3.85Å; Y475-Y480 AromaticContact CD1-CD2 3.77Å; Y475-Y480 HydrophobicContact CD1-CD2 3.77Å; Y475-Y480 AromaticContact CD1-CE1 3.99Å; Y475-Y480 HydrophobicContact CD1-CE1 3.99Å; Y475-Y480 AromaticContact CD1-CE2 3.91Å; Y475-Y480 HydrophobicContact CD1-CE2 3.91Å; Y475-Y480 AromaticContact CD1-CG 3.74Å; Y475-Y480 HydrophobicContact CD1-CG 3.74Å; Y475-Y480 HydrophobicContact CE1-CD1 4.14Å; Y475-Y480 HydrophobicContact CE1-CG 4.12Å; Y475-Y480 HydrophobicContact CG-CD2 4.45Å; Y475-Y480 HydrophobicContact CG-CE2 4.44Å; K476-Y480 WeakPolarHBondContact CB-OH 3.39Å; K476-Y480 PolarHBondContact N-OH 3.48Å; K476-Y480 WeakPolarHBondContact O-CE2 3.05Å; D478-Y480 HydrophobicContact CB-CE2 4Å; D478-Y480 WeakPolarHBondContact O-CD2 3.19Å
481	L	93.3	Very high	92	Very high	68 Å²	68	51.7 Å²	51.7	36%	0.356	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	147.2	163.3	-65.1	175.7	0	0	0	109.4	M20 N275 D278	M20-L481 HydrophobicContact CE-CD1 4.04Å; N275-L481 HydrophobicContact CB-CD2 4.38Å; D278-L481 HydrophobicContact CB-CD2 3.75Å
482	M	91.2	Very high	92.7	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.059	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-60.6	132.1	173.3	-168.9	176.8	64.2	0	0	110.3	M274 T459 I462 K484 M486 D487 V490	M274-M482 HydrophobicContact CG-CB 4.48Å; M274-M482 HydrophobicContact SD-CB 4.43Å; T459-M482 HydrophobicContact CG2-CE 3.71Å; T459-M482 HydrophobicContact CG2-SD 3.74Å; I462-M482 HydrophobicContact CG2-SD 4.49Å; M482-K484 PolarHBondContact O-N 3.45Å; M482-M486 HydrophobicContact CE-CB 4.28Å; M482-M486 HydrophobicContact CG-CB 3.89Å; M482-M486 HydrophobicContact CG-SD 4.22Å; M482-M486 HydrophobicContact SD-CB 3.89Å; M482-D487 VanDerWaalsContact CE-CA 3.4Å; M482-D487 HydrophobicContact CE-CB 3.54Å; M482-D487 VanDerWaalsContact CE-CG 3.46Å; M482-V490 HydrophobicContact CE-CG2 4.4Å
483	P	92.1	Very high	93.5	Very high	26 Å²	26	41.6 Å²	41.6	17%	0.169	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-54.5	133.2	176.4	-27.8	34.6	0	0	0	112.1	K485 M486 D487	P483-K485 PolarHBondContact O-N 3.5Å; P483-M486 HydrophobicContact CB-CG 4.41Å; P483-M486 HydrophobicContact CB-SD 4.22Å; P483-M486 HydrophobicContact CG-CE 4.19Å; P483-M486 HydrophobicContact CG-SD 3.92Å; P483-M486 WeakPolarHBondContact O-CA 3.31Å; P483-M486 VanDerWaalsContact O-CB 3.31Å; P483-M486 WeakPolarHBondContact O-CB 3.16Å; P483-M486 PolarHBondContact O-N 2.85Å; P483-D487 PolarHBondContact O-N 3.25Å
484	K	93.5	Very high	94.3	Very high	29 Å²	29	38.7 Å²	38.7	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-55.1	-35.2	-173.6	-167.3	-179.1	-59.7	-67.1	0	114.1	M482 M486 D487 E488 P520 K522 P523	M482-K484 PolarHBondContact O-N 3.45Å; K484-M486 VanDerWaalsContact C-N 3.25Å; K484-M486 PolarHBondContact O-N 2.83Å; K484-D487 WeakPolarHBondContact O-CB 3.35Å; K484-D487 PolarHBondContact O-N 3.44Å; K484-D487 VanDerWaalsContact O-N 3.11Å; K484-E488 WeakPolarHBondContact O-CG 3.45Å; K484-E488 PolarHBondContact O-N 3.19Å; K484-P520 HydrophobicContact CB-CB 4.26Å; K484-P520 HydrophobicContact CD-CB 4.17Å; K484-P520 HydrophobicContact CG-CB 4.38Å; K484-K522 HydrophobicContact CD-CB 4.28Å; K484-K522 WeakPolarHBondContact CD-O 3.29Å; K484-K522 WeakPolarHBondContact CE-O 3.41Å; K484-P523 WeakPolarHBondContact CE-O 3.17Å; K484-P523 PolarHBondContact NZ-O 3.44Å
485	K	93.4	Very high	94.6	Very high	47 Å²	47	37.2 Å²	37.2	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-34.2	176.3	-173.7	170.6	-176.2	172.9	0	112.6	P483 Y489	P483-K485 PolarHBondContact O-N 3.5Å; K485-Y489 WeakPolarHBondContact O-CB 3.46Å; K485-Y489 PolarHBondContact O-N 3.02Å
486	M	94.8	Very high	94.7	Very high	37 Å²	37	40.1 Å²	40.1	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-71.1	-37.6	175	-68.3	173.6	-175	0	0	111.1	I462 D466 M482 P483 K484 Y489 V490	I462-M486 HydrophobicContact CG2-CB 3.76Å; I462-M486 HydrophobicContact CG2-CG 3.87Å; I462-M486 HydrophobicContact CG2-SD 4.04Å; D466-M486 HydrophobicContact CB-CE 3.67Å; D466-M486 HydrophobicContact CB-SD 4.05Å; D466-M486 WeakPolarHBondContact OD1-CE 3.32Å; M482-M486 HydrophobicContact CE-CB 4.28Å; M482-M486 HydrophobicContact CG-CB 3.89Å; M482-M486 HydrophobicContact CG-SD 4.22Å; M482-M486 HydrophobicContact SD-CB 3.89Å; P483-M486 HydrophobicContact CB-CG 4.41Å; P483-M486 HydrophobicContact CB-SD 4.22Å; P483-M486 HydrophobicContact CG-CE 4.19Å; P483-M486 HydrophobicContact CG-SD 3.92Å; P483-M486 WeakPolarHBondContact O-CA 3.31Å; P483-M486 VanDerWaalsContact O-CB 3.31Å; P483-M486 WeakPolarHBondContact O-CB 3.16Å; P483-M486 PolarHBondContact O-N 2.85Å; K484-M486 VanDerWaalsContact C-N 3.25Å; K484-M486 PolarHBondContact O-N 2.83Å; M486-Y489 WeakPolarHBondContact O-CA 3.4Å; M486-Y489 WeakPolarHBondContact O-CB 3.5Å; M486-Y489 PolarHBondContact O-N 3.28Å; M486-Y489 VanDerWaalsContact O-N 3.16Å; M486-V490 WeakPolarHBondContact O-CG2 3.43Å; M486-V490 PolarHBondContact O-N 2.99Å
487	D	94.8	Very high	94.8	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-42.9	176.7	-139.5	-21.1	0	0	0	111.9	S279 V280 T281 M482 P483 K484 Y489 V490 A491	S279-D487 WeakPolarHBondContact CA-OD2 3.48Å; S279-D487 WeakPolarHBondContact CB-OD2 3.25Å; V280-D487 WeakPolarHBondContact CB-OD2 3.45Å; V280-D487 HydrophobicContact CG2-CB 4.37Å; V280-D487 WeakPolarHBondContact CG2-OD2 3.46Å; V280-D487 PolarHBondContact N-OD2 3.22Å; T281-D487 VanDerWaalsContact CB-OD1 3.23Å; T281-D487 WeakPolarHBondContact CB-OD1 3.36Å; T281-D487 WeakPolarHBondContact CG2-O 3.32Å; T281-D487 WeakPolarHBondContact CG2-OD1 3.5Å; T281-D487 PolarHBondContact N-OD1 3.26Å; T281-D487 VanDerWaalsContact N-OD1 3.11Å; T281-D487 PolarHBondContact OG1-OD1 3.14Å; M482-D487 VanDerWaalsContact CE-CA 3.4Å; M482-D487 HydrophobicContact CE-CB 3.54Å; M482-D487 VanDerWaalsContact CE-CG 3.46Å; P483-D487 PolarHBondContact O-N 3.25Å; K484-D487 WeakPolarHBondContact O-CB 3.35Å; K484-D487 PolarHBondContact O-N 3.44Å; K484-D487 VanDerWaalsContact O-N 3.11Å; D487-Y489 VanDerWaalsContact C-N 3.26Å; D487-Y489 PolarHBondContact O-N 2.92Å; D487-V490 WeakPolarHBondContact O-CB 3.48Å; D487-V490 PolarHBondContact O-N 3.38Å; D487-A491 PolarHBondContact O-N 2.67Å; D487-A491 VanDerWaalsContact O-N 3.08Å
488	E	96.6	Very high	94.9	Very high	46 Å²	46	37.3 Å²	37.3	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-36.8	171.2	-69.9	172.6	175	0	0	111.5	K484 A491 S492 P520 F521	K484-E488 WeakPolarHBondContact O-CG 3.45Å; K484-E488 PolarHBondContact O-N 3.19Å; E488-A491 PolarHBondContact O-N 3.08Å; E488-S492 PolarHBondContact O-N 2.93Å; E488-P520 WeakPolarHBondContact OE2-CA 3.43Å; E488-F521 PolarHBondContact OE1-N 3.32Å; E488-F521 WeakPolarHBondContact OE2-CD2 3.35Å
489	Y	95.8	Very high	94.9	Very high	27 Å²	27	37.9 Å²	37.9	11%	0.106	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-44.4	175.6	-173.3	-115.9	0	0	0	112	L37 L131 R134 I462 K485 M486 D487 A491 S492 L493	L37-Y489 HydrophobicContact CD2-CD1 4.26Å; L37-Y489 HydrophobicContact CD2-CD2 3.46Å; L37-Y489 VanDerWaalsContact CD2-CD2 3.46Å; L37-Y489 HydrophobicContact CD2-CE1 4.17Å; L37-Y489 HydrophobicContact CD2-CE2 3.32Å; L37-Y489 HydrophobicContact CD2-CG 3.94Å; L131-Y489 HydrophobicContact CD1-CE1 4.21Å; R134-Y489 WeakPolarHBondContact CD-OH 3.44Å; R134-Y489 PolarHBondContact NH1-OH 2.92Å; I462-Y489 HydrophobicContact CD1-CD1 3.73Å; I462-Y489 HydrophobicContact CD1-CE1 4.27Å; K485-Y489 WeakPolarHBondContact O-CB 3.46Å; K485-Y489 PolarHBondContact O-N 3.02Å; M486-Y489 WeakPolarHBondContact O-CA 3.4Å; M486-Y489 WeakPolarHBondContact O-CB 3.5Å; M486-Y489 PolarHBondContact O-N 3.28Å; M486-Y489 VanDerWaalsContact O-N 3.16Å; D487-Y489 VanDerWaalsContact C-N 3.26Å; D487-Y489 PolarHBondContact O-N 2.92Å; Y489-A491 VanDerWaalsContact C-N 3.3Å; Y489-A491 PolarHBondContact O-N 3.44Å; Y489-S492 WeakPolarHBondContact O-CB 3.4Å; Y489-S492 PolarHBondContact O-N 2.97Å; Y489-S492 VanDerWaalsContact O-N 3.11Å; Y489-S492 PolarHBondContact O-OG 2.86Å; Y489-L493 HydrophobicContact CD1-CD1 4.1Å; Y489-L493 HydrophobicContact CE1-CD1 3.83Å; Y489-L493 HydrophobicContact CE1-CD2 4.43Å; Y489-L493 HydrophobicContact CE1-CG 4.34Å; Y489-L493 WeakPolarHBondContact O-CG 3.42Å; Y489-L493 PolarHBondContact O-N 2.82Å; Y489-L493 VanDerWaalsContact O-N 3.17Å
490	V	96.9	Very high	94.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-52.6	-50.4	171.9	173.6	0	0	0	0	110.2	T281 V455 T458 T459 I462 M482 M486 D487 S492 L493 H494	T281-V490 HydrophobicContact CG2-CB 4.3Å; T281-V490 HydrophobicContact CG2-CG1 4.18Å; V455-V490 HydrophobicContact CG1-CG1 4.09Å; T458-V490 HydrophobicContact CG2-CG1 4.18Å; T458-V490 HydrophobicContact CG2-CG2 4.29Å; T459-V490 WeakPolarHBondContact OG1-CG2 3.4Å; I462-V490 HydrophobicContact CD1-CG2 3.48Å; I462-V490 VanDerWaalsContact CD1-CG2 3.48Å; M482-V490 HydrophobicContact CE-CG2 4.4Å; M486-V490 WeakPolarHBondContact O-CG2 3.43Å; M486-V490 PolarHBondContact O-N 2.99Å; D487-V490 WeakPolarHBondContact O-CB 3.48Å; D487-V490 PolarHBondContact O-N 3.38Å; V490-S492 VanDerWaalsContact C-N 3.31Å; V490-S492 PolarHBondContact O-N 3.23Å; V490-L493 PolarHBondContact O-N 3.15Å; V490-H494 PolarHBondContact O-ND1 3.03Å
491	A	96.7	Very high	94.9	Very high	41 Å²	41	47 Å²	47	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-45	179	0	0	0	0	0	111.3	T281 D487 E488 Y489 L493 H494 L495	T281-A491 HydrophobicContact CG2-CB 4.03Å; D487-A491 PolarHBondContact O-N 2.67Å; D487-A491 VanDerWaalsContact O-N 3.08Å; E488-A491 PolarHBondContact O-N 3.08Å; Y489-A491 VanDerWaalsContact C-N 3.3Å; Y489-A491 PolarHBondContact O-N 3.44Å; A491-L493 PolarHBondContact O-N 3Å; A491-H494 PolarHBondContact O-N 2.64Å; A491-H494 VanDerWaalsContact O-N 3.08Å; A491-L495 WeakPolarHBondContact O-CG 3.47Å; A491-L495 PolarHBondContact O-N 2.93Å
492	S	96.1	Very high	95	Very high	22 Å²	22	49.8 Å²	49.8	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-28.2	-179.6	83.7	0	0	0	0	114.2	E488 Y489 V490 H494	E488-S492 PolarHBondContact O-N 2.93Å; Y489-S492 WeakPolarHBondContact O-CB 3.4Å; Y489-S492 PolarHBondContact O-N 2.97Å; Y489-S492 VanDerWaalsContact O-N 3.11Å; Y489-S492 PolarHBondContact O-OG 2.86Å; V490-S492 VanDerWaalsContact C-N 3.31Å; V490-S492 PolarHBondContact O-N 3.23Å; S492-H494 VanDerWaalsContact C-N 3.29Å; S492-H494 PolarHBondContact O-N 2.75Å
493	L	97	Very high	95.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-72.6	-22.6	179.4	-68.3	167.7	0	0	0	112.6	A130 L131 R134 T458 I462 Y489 V490 A491	A130-L493 HydrophobicContact CB-CB 4.27Å; A130-L493 HydrophobicContact CB-CD2 3.82Å; L131-L493 HydrophobicContact CB-CD1 4.27Å; L131-L493 HydrophobicContact CD1-CD1 4.22Å; R134-L493 VanDerWaalsContact CZ-CD2 3.47Å; R134-L493 VanDerWaalsContact NH1-CD2 3.33Å; T458-L493 HydrophobicContact CG2-CD1 3.54Å; I462-L493 HydrophobicContact CD1-CD1 4.22Å; Y489-L493 HydrophobicContact CD1-CD1 4.1Å; Y489-L493 HydrophobicContact CE1-CD1 3.83Å; Y489-L493 HydrophobicContact CE1-CD2 4.43Å; Y489-L493 HydrophobicContact CE1-CG 4.34Å; Y489-L493 WeakPolarHBondContact O-CG 3.42Å; Y489-L493 PolarHBondContact O-N 2.82Å; Y489-L493 VanDerWaalsContact O-N 3.17Å; V490-L493 PolarHBondContact O-N 3.15Å; A491-L493 PolarHBondContact O-N 3Å
494	H	97.1	Very high	95.3	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-96.5	-19.8	-177.4	-64.6	78	0	0	0	113.2	G127 S454 V455 V490 A491 S492 P496 Q497 F498	G127-H494 WeakPolarHBondContact CA-NE2 3.18Å; S454-H494 PolarHBondContact OG-NE2 3.18Å; V455-H494 PolarHBondContact N-NE2 2.75Å; V490-H494 PolarHBondContact O-ND1 3.03Å; A491-H494 PolarHBondContact O-N 2.64Å; A491-H494 VanDerWaalsContact O-N 3.08Å; S492-H494 VanDerWaalsContact C-N 3.29Å; S492-H494 PolarHBondContact O-N 2.75Å; H494-P496 VanDerWaalsContact C-CD 3.45Å; H494-Q497 WeakPolarHBondContact O-CB 3.1Å; H494-Q497 PolarHBondContact O-N 2.76Å; H494-F498 WeakPolarHBondContact O-CD2 3.31Å
495	L	96.5	Very high	95.4	Very high	48 Å²	48	59.5 Å²	59.5	25%	0.251	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-58.1	-38.8	-177.5	-68	-179.6	0	0	0	115.2	A491 Q497 F498 A500 L502	A491-L495 WeakPolarHBondContact O-CG 3.47Å; A491-L495 PolarHBondContact O-N 2.93Å; L495-Q497 PolarHBondContact O-N 3.18Å; L495-F498 PolarHBondContact O-N 2.92Å; L495-A500 HydrophobicContact CB-CB 4.05Å; L495-A500 HydrophobicContact CD2-CB 4.07Å; L495-A500 PolarHBondContact O-N 3.47Å; L495-L502 HydrophobicContact CD1-CD1 3.58Å; L495-L502 HydrophobicContact CD1-CD2 3.61Å; L495-L502 HydrophobicContact CD1-CG 3.56Å
496	P	93.9	Very high	95.6	Very high	85 Å²	85	60.5 Å²	60.5	55%	0.552	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-58.1	-32.8	-179.8	-27.6	37	0	0	0	114	H494 F498 G499	H494-P496 VanDerWaalsContact C-CD 3.45Å; P496-F498 PolarHBondContact O-N 3.41Å; P496-F498 VanDerWaalsContact O-N 3.16Å; P496-G499 PolarHBondContact O-N 3.43Å
497	Q	92.9	Very high	95.7	Very high	100 Å²	100	64.2 Å²	64.2	47%	0.467	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-57.4	-30.1	176.8	-171.8	73.1	8.1	0	0	112.3	P126 H494 L495	P126-Q497 HydrophobicContact CB-CB 4.22Å; P126-Q497 HydrophobicContact CG-CB 4.04Å; P126-Q497 HydrophobicContact CG-CG 4.13Å; H494-Q497 WeakPolarHBondContact O-CB 3.1Å; H494-Q497 PolarHBondContact O-N 2.76Å; L495-Q497 PolarHBondContact O-N 3.18Å
498	F	94.3	Very high	95.8	Very high	129 Å²	129	71.3 Å²	71.3	57%	0.566	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-95.8	3.8	-179	-57.2	-74.9	0	0	0	113.3	L451 H494 L495 P496 A500	L451-F498 HydrophobicContact CD1-CZ 4.44Å; L451-F498 HydrophobicContact CD2-CZ 3.73Å; H494-F498 WeakPolarHBondContact O-CD2 3.31Å; L495-F498 PolarHBondContact O-N 2.92Å; P496-F498 PolarHBondContact O-N 3.41Å; P496-F498 VanDerWaalsContact O-N 3.16Å; F498-A500 HydrophobicContact CB-CB 4.45Å; F498-A500 PolarHBondContact O-N 2.73Å
499	G	95.4	Very high	95.8	Very high	50 Å²	50	73.5 Å²	73.5	52%	0.515	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	27.8	-170.4	0	0	0	0	0	112.8	P496 H501	P496-G499 PolarHBondContact O-N 3.43Å; G499-H501 PolarHBondContact O-CD2 3.28Å; G499-H501 VanDerWaalsContact O-CD2 3.23Å; G499-H501 PolarHBondContact O-NE2 2.93Å
500	A	96.2	Very high	95.9	Very high	44 Å²	44	72.7 Å²	72.7	36%	0.364	40%	0.4	S	S	.	.			trans	-80	132.3	-177.2	0	0	0	0	0	111.2	L495 F498	L495-A500 HydrophobicContact CB-CB 4.05Å; L495-A500 HydrophobicContact CD2-CB 4.07Å; L495-A500 PolarHBondContact O-N 3.47Å; F498-A500 HydrophobicContact CB-CB 4.45Å; F498-A500 PolarHBondContact O-N 2.73Å
501	H	94.6	Very high	95.8	Very high	160 Å²	160	80.5 Å²	80.5	74%	0.741	44%	0.437	S	S	*	.			trans	-113.9	113.8	178.1	-60.4	-77.7	0	0	0	109.5	G499	G499-H501 PolarHBondContact O-CD2 3.28Å; G499-H501 VanDerWaalsContact O-CD2 3.23Å; G499-H501 PolarHBondContact O-NE2 2.93Å
502	L	94.7	Very high	95.8	Very high	125 Å²	125	88.6 Å²	88.6	65%	0.654	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-76	136.1	178.6	-69.2	180	0	0	0	111	L495	L495-L502 HydrophobicContact CD1-CD1 3.58Å; L495-L502 HydrophobicContact CD1-CD2 3.61Å; L495-L502 HydrophobicContact CD1-CG 3.56Å
503	T	96.2	Very high	95.8	Very high	137 Å²	137	92.5 Å²	92.5	84%	0.84	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-70.4	132.7	167.3	-56.3	0	0	0	0	109.9
504	E	94.7	Very high	95.7	Very high	99 Å²	99	95.6 Å²	95.6	46%	0.463	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-93.8	136.7	172.6	-64.1	-176.6	-177.2	0	0	110.8	S45	S45-E504 VanDerWaalsContact CB-OE1 3.27Å; S45-E504 WeakPolarHBondContact CB-OE1 3.46Å; S45-E504 PolarHBondContact OG-OE1 3.33Å
505	L	95.4	Very high	95.5	Very high	35 Å²	35	97.5 Å²	97.5	18%	0.183	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-66.6	139.6	173.3	-68	170	0	0	0	110.5	Q509 M513 I515 K517 F521	L505-Q509 HydrophobicContact CB-CB 4.38Å; L505-Q509 HydrophobicContact CD2-CB 3.95Å; L505-M513 HydrophobicContact CD2-SD 4.4Å; L505-I515 HydrophobicContact CD1-CD1 3.97Å; L505-I515 HydrophobicContact CD1-CG1 4.37Å; L505-K517 HydrophobicContact CB-CG 4.39Å; L505-K517 WeakPolarHBondContact O-CE 3.07Å; L505-K517 PolarHBondContact O-NZ 3.36Å; L505-K517 VanDerWaalsContact O-NZ 3.16Å; L505-F521 HydrophobicContact CD1-CD1 4.39Å; L505-F521 HydrophobicContact CD1-CE1 4.27Å
506	T	96.5	Very high	95.3	Very high	69 Å²	69	101.2 Å²	101.2	42%	0.423	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-70.6	161.1	162.2	69.2	0	0	0	0	109.9	E508 Q509 A510	T506-E508 PolarHBondContact O-N 3.22Å; T506-Q509 PolarHBondContact O-N 2.83Å; T506-Q509 VanDerWaalsContact O-N 3.16Å; T506-Q509 VanDerWaalsContact OG1-CG 3.28Å; T506-Q509 WeakPolarHBondContact OG1-CG 3.49Å; T506-Q509 PolarHBondContact OG1-N 3.22Å; T506-A510 PolarHBondContact O-N 2.81Å
507	D	96.7	Very high	95.3	Very high	114 Å²	114	101.1 Å²	101.1	61%	0.61	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-35.9	179.6	-58.9	-14.9	0	0	0	110.9	A510 E511 K517	D507-A510 PolarHBondContact O-N 3.15Å; D507-E511 PolarHBondContact O-N 3.12Å; D507-K517 WeakPolarHBondContact OD1-CD 3.38Å; D507-K517 IonicContact OD1-NZ 3.55Å; D507-K517 PolarHBondContact OD1-NZ 2.7Å
508	E	97.4	Very high	95.2	Very high	157 Å²	157	96.7 Å²	96.7	73%	0.734	50%	0.503	S	S	*	.	H	α-helix	trans	-61.4	-42.3	172.7	-174.8	-177.9	-177.2	0	0	112.5	T506 Y512	T506-E508 PolarHBondContact O-N 3.22Å; E508-Y512 WeakPolarHBondContact O-CB 3.42Å; E508-Y512 PolarHBondContact O-N 2.85Å
509	Q	97.9	Very high	95	Very high	92 Å²	92	90.7 Å²	90.7	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-67	-40.4	177	-73.1	169.7	-22	0	0	112	L505 T506 Y512 M513	L505-Q509 HydrophobicContact CB-CB 4.38Å; L505-Q509 HydrophobicContact CD2-CB 3.95Å; T506-Q509 PolarHBondContact O-N 2.83Å; T506-Q509 VanDerWaalsContact O-N 3.16Å; T506-Q509 VanDerWaalsContact OG1-CG 3.28Å; T506-Q509 WeakPolarHBondContact OG1-CG 3.49Å; T506-Q509 PolarHBondContact OG1-N 3.22Å; Q509-Y512 PolarHBondContact O-N 3.14Å; Q509-M513 WeakPolarHBondContact O-CB 3.35Å; Q509-M513 WeakPolarHBondContact O-CG 3.08Å; Q509-M513 PolarHBondContact O-N 3.04Å
510	A	96.4	Very high	95	Very high	9 Å²	9	91.4 Å²	91.4	7%	0.074	47%	0.473	C	S	.	.	H	α-helix	trans	-64.7	-43.9	178.3	0	0	0	0	0	111.4	T506 D507 M513 G514 I515 K517	T506-A510 PolarHBondContact O-N 2.81Å; D507-A510 PolarHBondContact O-N 3.15Å; A510-M513 PolarHBondContact O-N 3.18Å; A510-G514 PolarHBondContact O-N 3.13Å; A510-I515 PolarHBondContact O-N 3.4Å; A510-I515 VanDerWaalsContact O-N 3.1Å; A510-K517 HydrophobicContact CB-CB 4.33Å
511	E	96	Very high	95	Very high	165 Å²	165	92.8 Å²	92.8	77%	0.771	47%	0.471	S	S	*	.	H	α-helix	trans	-62.7	-46.4	174.3	-174	174.4	-172.5	0	0	111.6	D507 M513 G514	D507-E511 PolarHBondContact O-N 3.12Å; E511-M513 VanDerWaalsContact C-N 3.32Å; E511-M513 PolarHBondContact O-N 3.09Å; E511-G514 PolarHBondContact O-N 3.22Å
512	Y	96.6	Very high	95	Very high	211 Å²	211	89.3 Å²	89.3	83%	0.827	45%	0.454	S	S	*	.	H	α-helix	trans	-58.3	-42	177.8	178	-98.2	0	0	0	112.8	E508 Q509 G514	E508-Y512 WeakPolarHBondContact O-CB 3.42Å; E508-Y512 PolarHBondContact O-N 2.85Å; Q509-Y512 PolarHBondContact O-N 3.14Å; Y512-G514 VanDerWaalsContact C-N 3.31Å
513	M	95	Very high	94.9	Very high	104 Å²	104	85.9 Å²	85.9	51%	0.512	44%	0.439	S	S	.	.	H	α-helix	trans	-78.4	-14.2	177.9	-71.2	-172.2	68.2	0	0	113.5	L505 Q509 A510 E511 I515	L505-M513 HydrophobicContact CD2-SD 4.4Å; Q509-M513 WeakPolarHBondContact O-CB 3.35Å; Q509-M513 WeakPolarHBondContact O-CG 3.08Å; Q509-M513 PolarHBondContact O-N 3.04Å; A510-M513 PolarHBondContact O-N 3.18Å; E511-M513 VanDerWaalsContact C-N 3.32Å; E511-M513 PolarHBondContact O-N 3.09Å; M513-I515 VanDerWaalsContact C-N 3.34Å; M513-I515 HydrophobicContact CB-CD1 4.24Å; M513-I515 HydrophobicContact CB-CG1 3.85Å; M513-I515 HydrophobicContact CE-CD1 3.85Å; M513-I515 HydrophobicContact SD-CD1 4.16Å
514	G	94.4	Very high	94.6	Very high	67 Å²	67	83 Å²	83	69%	0.691	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	32.5	-175	0	0	0	0	0	113.4	A510 E511 Y512	A510-G514 PolarHBondContact O-N 3.13Å; E511-G514 PolarHBondContact O-N 3.22Å; Y512-G514 VanDerWaalsContact C-N 3.31Å
515	I	93.6	Very high	94.4	Very high	48 Å²	48	87.2 Å²	87.2	25%	0.246	43%	0.432	C	S	.	.	S	Bend	trans	-126.4	158.7	-179.2	65	173.1	0	0	0	111.9	L505 A510 M513 F521	L505-I515 HydrophobicContact CD1-CD1 3.97Å; L505-I515 HydrophobicContact CD1-CG1 4.37Å; A510-I515 PolarHBondContact O-N 3.4Å; A510-I515 VanDerWaalsContact O-N 3.1Å; M513-I515 VanDerWaalsContact C-N 3.34Å; M513-I515 HydrophobicContact CB-CD1 4.24Å; M513-I515 HydrophobicContact CB-CG1 3.85Å; M513-I515 HydrophobicContact CE-CD1 3.85Å; M513-I515 HydrophobicContact SD-CD1 4.16Å; I515-F521 HydrophobicContact CD1-CD1 4.22Å
516	Y	92.8	Very high	94.3	Very high	125 Å²	125	89.8 Å²	89.8	49%	0.49	44%	0.44	S	S	.	.			trans	-73.2	138.4	172.7	-174.1	-114	0	0	0	111.3	T38 G518 G519	T38-Y516 HydrophobicContact CG2-CE1 4.37Å; T38-Y516 WeakPolarHBondContact CG2-OH 3.4Å; Y516-G518 VanDerWaalsContact CD1-N 3.26Å; Y516-G518 PolarHBondContact O-N 2.88Å; Y516-G518 VanDerWaalsContact O-N 3.16Å; Y516-G519 WeakPolarHBondContact CD1-O 3.46Å; Y516-G519 PolarHBondContact O-N 3.12Å
517	K	93	Very high	94	Very high	84 Å²	84	96.5 Å²	96.5	37%	0.365	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.9	-178.9	-176.8	169	176.5	159.2	0	114.2	L505 D507 A510 F521	L505-K517 HydrophobicContact CB-CG 4.39Å; L505-K517 WeakPolarHBondContact O-CE 3.07Å; L505-K517 PolarHBondContact O-NZ 3.36Å; L505-K517 VanDerWaalsContact O-NZ 3.16Å; D507-K517 WeakPolarHBondContact OD1-CD 3.38Å; D507-K517 IonicContact OD1-NZ 3.55Å; D507-K517 PolarHBondContact OD1-NZ 2.7Å; A510-K517 HydrophobicContact CB-CB 4.33Å; K517-F521 WeakPolarHBondContact O-CE1 3Å
518	G	91.1	Very high	93.6	Very high	7 Å²	7	97.4 Å²	97.4	7%	0.072	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	16.1	175.5	0	0	0	0	0	114.7	Y516	Y516-G518 VanDerWaalsContact CD1-N 3.26Å; Y516-G518 PolarHBondContact O-N 2.88Å; Y516-G518 VanDerWaalsContact O-N 3.16Å
519	G	91.5	Very high	93.4	Very high	3 Å²	3	94.5 Å²	94.5	3%	0.031	44%	0.439	C	S	.	.	S	Bend	trans	79.8	179	179.6	0	0	0	0	0	115.2	Y516	Y516-G519 WeakPolarHBondContact CD1-O 3.46Å; Y516-G519 PolarHBondContact O-N 3.12Å
520	P	94.8	Very high	93.2	Very high	64 Å²	64	94.6 Å²	94.6	42%	0.416	44%	0.44	S	S	.	.			cis	-66.9	141.7	7.1	27.5	-34.8	0	0	0	113.4	K484 E488	K484-P520 HydrophobicContact CB-CB 4.26Å; K484-P520 HydrophobicContact CD-CB 4.17Å; K484-P520 HydrophobicContact CG-CB 4.38Å; E488-P520 WeakPolarHBondContact OE2-CA 3.43Å
521	F	95.8	Very high	93	Very high	74 Å²	74	99.3 Å²	99.3	33%	0.325	46%	0.46	S	S	.	.			trans	-89.7	-6.8	-172.5	-60	-71.3	0	0	0	114.1	E488 L505 I515 K517	E488-F521 PolarHBondContact OE1-N 3.32Å; E488-F521 WeakPolarHBondContact OE2-CD2 3.35Å; L505-F521 HydrophobicContact CD1-CD1 4.39Å; L505-F521 HydrophobicContact CD1-CE1 4.27Å; I515-F521 HydrophobicContact CD1-CD1 4.22Å; K517-F521 WeakPolarHBondContact O-CE1 3Å
522	K	95.5	Very high	92.8	Very high	86 Å²	86	95.5 Å²	95.5	37%	0.374	44%	0.442	S	S	.	.	S	Bend	trans	-140.7	146.9	-177	-63	-67.6	172.8	-67.4	0	110.4	K484 Y526	K484-K522 HydrophobicContact CD-CB 4.28Å; K484-K522 WeakPolarHBondContact CD-O 3.29Å; K484-K522 WeakPolarHBondContact CE-O 3.41Å; K522-Y526 HydrophobicContact CB-CD1 3.61Å; K522-Y526 HydrophobicContact CB-CE1 4.34Å; K522-Y526 HydrophobicContact CB-CG 3.78Å; K522-Y526 HydrophobicContact CD-CD1 3.69Å; K522-Y526 HydrophobicContact CD-CD2 3.95Å; K522-Y526 HydrophobicContact CD-CE1 3.63Å; K522-Y526 HydrophobicContact CD-CE2 3.93Å; K522-Y526 HydrophobicContact CD-CG 3.85Å; K522-Y526 HydrophobicContact CG-CD1 3.43Å; K522-Y526 VanDerWaalsContact CG-CD1 3.43Å; K522-Y526 HydrophobicContact CG-CE1 3.64Å; K522-Y526 HydrophobicContact CG-CG 3.92Å
523	P	92.6	Very high	92.6	Very high	54 Å²	54	88.3 Å²	88.3	35%	0.351	42%	0.418	S	S	.	.			trans	-67.3	163	174.1	30.1	-35.7	0	0	0	111.4	K484 Y525 Y526	K484-P523 WeakPolarHBondContact CE-O 3.17Å; K484-P523 PolarHBondContact NZ-O 3.44Å; P523-Y525 VanDerWaalsContact C-N 3.27Å; P523-Y525 HydrophobicContact CB-CD1 3.99Å; P523-Y525 HydrophobicContact CB-CE1 3.54Å; P523-Y525 HydrophobicContact CB-CE2 4.16Å; P523-Y525 HydrophobicContact CB-CG 4.48Å; P523-Y525 HydrophobicContact CG-CD1 4.39Å; P523-Y525 HydrophobicContact CG-CD2 4.11Å; P523-Y525 HydrophobicContact CG-CE1 3.88Å; P523-Y525 HydrophobicContact CG-CE2 3.54Å; P523-Y525 HydrophobicContact CG-CG 4.5Å; P523-Y525 VanDerWaalsContact CG-CZ 3.42Å; P523-Y525 PolarHBondContact O-N 3.1Å; P523-Y526 VanDerWaalsContact O-CB 3.25Å; P523-Y526 WeakPolarHBondContact O-CB 3.46Å; P523-Y526 PolarHBondContact O-N 3.41Å; P523-Y526 VanDerWaalsContact O-N 3.11Å
524	N	89	Confident	92.4	Very high	77 Å²	77	87.2 Å²	87.2	41%	0.412	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.1	-175.8	-72.4	-21.8	0	0	0	113.6	M20 Y526	M20-N524 HydrophobicContact CE-CB 3.96Å; M20-N524 HydrophobicContact SD-CB 4.11Å; N524-Y526 VanDerWaalsContact C-N 3.27Å; N524-Y526 PolarHBondContact O-N 3.31Å
525	Y	90.1	Very high	92.3	Very high	186 Å²	186	88.6 Å²	88.6	73%	0.729	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.4	179.2	59.3	-103.4	0	0	0	114.9	P523	P523-Y525 VanDerWaalsContact C-N 3.27Å; P523-Y525 HydrophobicContact CB-CD1 3.99Å; P523-Y525 HydrophobicContact CB-CE1 3.54Å; P523-Y525 HydrophobicContact CB-CE2 4.16Å; P523-Y525 HydrophobicContact CB-CG 4.48Å; P523-Y525 HydrophobicContact CG-CD1 4.39Å; P523-Y525 HydrophobicContact CG-CD2 4.11Å; P523-Y525 HydrophobicContact CG-CE1 3.88Å; P523-Y525 HydrophobicContact CG-CE2 3.54Å; P523-Y525 HydrophobicContact CG-CG 4.5Å; P523-Y525 VanDerWaalsContact CG-CZ 3.42Å; P523-Y525 PolarHBondContact O-N 3.1Å
526	Y	93.7	Very high	92.2	Very high	89 Å²	89	91.8 Å²	91.8	35%	0.349	40%	0.402	S	S	.	.			trans	-66.5	132.8	179.3	-173.7	-111.4	0	0	0	111.3	K522 P523 N524 Y528	K522-Y526 HydrophobicContact CB-CD1 3.61Å; K522-Y526 HydrophobicContact CB-CE1 4.34Å; K522-Y526 HydrophobicContact CB-CG 3.78Å; K522-Y526 HydrophobicContact CD-CD1 3.69Å; K522-Y526 HydrophobicContact CD-CD2 3.95Å; K522-Y526 HydrophobicContact CD-CE1 3.63Å; K522-Y526 HydrophobicContact CD-CE2 3.93Å; K522-Y526 HydrophobicContact CD-CG 3.85Å; K522-Y526 HydrophobicContact CG-CD1 3.43Å; K522-Y526 VanDerWaalsContact CG-CD1 3.43Å; K522-Y526 HydrophobicContact CG-CE1 3.64Å; K522-Y526 HydrophobicContact CG-CG 3.92Å; P523-Y526 VanDerWaalsContact O-CB 3.25Å; P523-Y526 WeakPolarHBondContact O-CB 3.46Å; P523-Y526 PolarHBondContact O-N 3.41Å; P523-Y526 VanDerWaalsContact O-N 3.11Å; N524-Y526 VanDerWaalsContact C-N 3.27Å; N524-Y526 PolarHBondContact O-N 3.31Å; Y526-Y528 HydrophobicContact CD1-CD1 4.41Å; Y526-Y528 WeakPolarHBondContact CE1-O 3.46Å; Y526-Y528 PolarHBondContact OH-O 3.12Å; Y526-Y528 PolarHBondContact OH-OXT 2.97Å
527	R	90	Very high	92.1	Very high	211 Å²	211	89 Å²	89	80%	0.796	40%	0.395	S	S	*	.			trans	-99.4	19.6	-174	-62.1	-172.5	178.2	89.7	-0.5	114.2
528	Y	88.3	Confident	92	Very high	133 Å²	133	89.5 Å²	89.5	52%	0.522	40%	0.398	S	S	.	.			trans	74.5	0	-169.6	-37.6	-53.8	0	0	0	112.4	V280 R284 Y526	V280-Y528 HydrophobicContact CB-CD1 4.26Å; V280-Y528 HydrophobicContact CB-CE1 3.53Å; V280-Y528 HydrophobicContact CB-CE2 4.37Å; V280-Y528 HydrophobicContact CG1-CD1 3.31Å; V280-Y528 HydrophobicContact CG1-CD2 4.1Å; V280-Y528 HydrophobicContact CG1-CE1 3.07Å; V280-Y528 HydrophobicContact CG1-CE2 3.82Å; V280-Y528 HydrophobicContact CG1-CG 3.87Å; V280-Y528 HydrophobicContact CG2-CD1 4.12Å; V280-Y528 HydrophobicContact CG2-CE1 3.1Å; V280-Y528 WeakPolarHBondContact CG2-OH 3.41Å; R284-Y528 HydrophobicContact CG-CD2 4.09Å; R284-Y528 HydrophobicContact CG-CE2 4.27Å; Y526-Y528 HydrophobicContact CD1-CD1 4.41Å; Y526-Y528 WeakPolarHBondContact CE1-O 3.46Å; Y526-Y528 PolarHBondContact OH-O 3.12Å; Y526-Y528 PolarHBondContact OH-OXT 2.97Å

Retrieved 528 of 528 residues in 242 ms (Link to these results)

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