A0A3Q0KRK7_SCHMA Loading...

Aurora kinase

AlphaFold DB , UniProt , Accession A0A3Q0KRK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 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	44.7	Very low	37.7	Very low	248 Å²	248	142.5 Å²	142.5	100%	1.222	80%	0.795	S	S	*	*				0	119.1	0	-83.4	172.6	166.5	0	0	107.4
2	L	36	Very low	36.9	Very low	167 Å²	167	142.9 Å²	142.9	87%	0.874	79%	0.793	S	S	*	*			trans	-49.8	172.6	178.6	-73.7	158.2	0	0	0	114.1
3	P	45.4	Very low	36.1	Very low	89 Å²	89	140.5 Å²	140.5	58%	0.578	79%	0.79	S	S	*	*				-140.5	-175	-72.6	36.7	-13.3	0	0	0	110.9
4	S	42.9	Very low	35.7	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	79%	0.788	S	S	*	*				163.5	119.2	101	47.7	0	0	0	0	108.7
5	H	39.1	Very low	35.7	Very low	167 Å²	167	136.6 Å²	136.6	77%	0.773	79%	0.789	S	S	*	*				75.6	137.3	86.8	-71.7	-62.5	0	0	0	113.1
6	S	35.3	Very low	35.7	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	79%	0.785	S	S	*	*			cis	-177.6	161.4	0.3	37.8	0	0	0	0	109.2
7	D	33.1	Very low	35.5	Very low	153 Å²	153	132.5 Å²	132.5	82%	0.818	78%	0.776	S	S	*	*			trans	-83.5	-161.3	-172.1	-149	6.4	0	0	0	113
8	P	43.2	Very low	35.3	Very low	105 Å²	105	133.3 Å²	133.3	68%	0.682	78%	0.777	S	S	*	*				-115.2	170.5	-126.2	36.3	-15.1	0	0	0	115.4
9	S	33.3	Very low	35	Very low	110 Å²	110	131.4 Å²	131.4	77%	0.769	77%	0.767	S	S	*	*			trans	-174.3	119.3	163.9	37.1	0	0	0	0	110.2
10	H	31.4	Very low	34.9	Very low	174 Å²	174	136.5 Å²	136.5	81%	0.806	77%	0.774	S	S	*	*				84	131.3	85.8	-98	-76.1	0	0	0	115.7
11	L	29.9	Very low	34.7	Very low	145 Å²	145	136.8 Å²	136.8	76%	0.759	77%	0.774	S	S	*	*			trans	78.4	147.5	156.4	-56.4	150.4	0	0	0	116.6
12	L	28	Very low	34	Very low	147 Å²	147	131.8 Å²	131.8	77%	0.77	76%	0.758	S	S	*	*			cis	-177.7	146	-24.9	-117	177.1	0	0	0	104.4
13	C	26.9	Very low	33.6	Very low	112 Å²	112	127.1 Å²	127.1	76%	0.757	75%	0.75	S	S	*	*			trans	71.2	117.9	149.9	-135.8	0	0	0	0	120.5
14	S	31.2	Very low	33	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	76%	0.758	S	S	*	*				154.7	118.8	102.6	-60.2	0	0	0	0	111.9
15	S	35.8	Very low	32.5	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	77%	0.768	S	S	*	*			trans	-66.7	173.5	168.7	-35.7	0	0	0	0	111.8
16	P	34.7	Very low	32.3	Very low	113 Å²	113	130.8 Å²	130.8	73%	0.734	76%	0.759	S	S	*	*				-154.6	160.2	71.2	41.4	-20	0	0	0	118.5
17	S	32.3	Very low	32.4	Very low	91 Å²	91	129.3 Å²	129.3	64%	0.636	75%	0.748	S	S	*	*			trans	55.7	115.7	136.9	62.4	0	0	0	0	121.4
18	N	32.2	Very low	32.3	Very low	146 Å²	146	132.9 Å²	132.9	78%	0.781	75%	0.751	S	S	*	*				165.8	132.4	87.8	-101.2	-17.3	0	0	0	114.6
19	V	29.5	Very low	31.8	Very low	98 Å²	98	131.5 Å²	131.5	59%	0.594	74%	0.743	S	S	*	*			trans	72.3	105.4	132.1	-175.4	0	0	0	0	118.2
20	Y	32.9	Very low	31.9	Very low	232 Å²	232	132.4 Å²	132.4	91%	0.91	73%	0.734	S	S	*	*				-161	109	105.3	-79.6	-69	0	0	0	108.8
21	D	31.9	Very low	32.2	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	73%	0.727	S	S	*	*			trans	-90.2	128.6	171.4	179.3	16.1	0	0	0	108.6
22	T	28.3	Very low	32.3	Very low	143 Å²	143	128.3 Å²	128.3	88%	0.877	72%	0.722	S	S	*	*			trans	176.4	111.3	139.5	36.3	0	0	0	0	109.9
23	G	28.3	Very low	33.2	Very low	69 Å²	69	123.1 Å²	123.1	71%	0.711	70%	0.698	S	S	*	*			trans	111.4	85.7	155	0	0	0	0	0	117.3
24	N	32.9	Very low	34	Very low	142 Å²	142	120.1 Å²	120.1	76%	0.759	68%	0.679	S	S	*	*			trans	177.3	80.3	135.6	-104.6	-30.2	0	0	0	111.7
25	H	32.8	Very low	34.6	Very low	195 Å²	195	118.2 Å²	118.2	90%	0.903	67%	0.669	S	S	*	*			trans	-95.4	9.6	172.9	-111	-70.4	0	0	0	114.1
26	V	34.2	Very low	35	Very low	95 Å²	95	118.5 Å²	118.5	58%	0.576	66%	0.662	S	S	*	*	S	Bend	trans	-98.5	-13.7	-169.7	-170.2	0	0	0	0	114	F30	V26-F30 HydrophobicContact CG1-CE2 4.17Å; V26-F30 WeakPolarHBondContact O-CD2 3.14Å
27	S	37.7	Very low	35.8	Very low	79 Å²	79	114.6 Å²	114.6	55%	0.552	63%	0.633	S	S	*	*	S	Bend	trans	-95.6	-13.9	-163.7	-43.5	0	0	0	0	116.2
28	R	30.2	Very low	36.6	Very low	229 Å²	229	114.9 Å²	114.9	86%	0.864	63%	0.625	S	S	*	*	S	Bend	trans	-92.6	-20.2	-178	-88.3	-179.6	175.3	166.4	-0.5	114.8
29	S	32.9	Very low	37.3	Very low	75 Å²	75	116.2 Å²	116.2	52%	0.524	62%	0.623	S	S	.	*	H	α-helix	trans	-79.7	-29.9	-177.5	52.7	0	0	0	0	113.6
30	F	35.7	Very low	38.1	Very low	130 Å²	130	120.8 Å²	120.8	57%	0.57	64%	0.635	S	S	*	*	H	α-helix	trans	-71.8	-33	-176.7	-83.1	-87.6	0	0	0	114.1	V26	V26-F30 HydrophobicContact CG1-CE2 4.17Å; V26-F30 WeakPolarHBondContact O-CD2 3.14Å
31	V	38.1	Very low	38.8	Very low	111 Å²	111	114.6 Å²	114.6	67%	0.673	61%	0.61	S	S	*	*	H	α-helix	trans	-74.8	-36.7	-176.3	-171.4	0	0	0	0	111.4
32	N	32.5	Very low	39.5	Very low	121 Å²	121	118.6 Å²	118.6	65%	0.647	62%	0.621	S	S	*	*	H	α-helix	trans	-73.8	-26.6	179.4	-80.1	-8.6	0	0	0	113.3	S34 A35	N32-S34 VanDerWaalsContact C-N 3.35Å; N32-S34 PolarHBondContact O-N 3.24Å; N32-A35 PolarHBondContact O-N 3.33Å
33	S	45.6	Very low	40.9	Very low	38 Å²	38	115.1 Å²	115.1	27%	0.266	60%	0.602	S	S	.	*	H	α-helix	trans	-68	-31.3	-178.6	-178	0	0	0	0	113.6	A35 D36 F37 F74	S33-A35 VanDerWaalsContact C-N 3.3Å; S33-A35 PolarHBondContact O-N 3.3Å; S33-D36 PolarHBondContact O-N 3.15Å; S33-F37 PolarHBondContact O-N 2.95Å; S33-F74 WeakPolarHBondContact OG-CD2 3.35Å
34	S	45.1	Very low	43.2	Very low	50 Å²	50	117.8 Å²	117.8	35%	0.35	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-28.9	-179.9	-73.4	0	0	0	0	113.7	N32	N32-S34 VanDerWaalsContact C-N 3.35Å; N32-S34 PolarHBondContact O-N 3.24Å
35	A	43.9	Very low	45.5	Very low	68 Å²	68	112.3 Å²	112.3	56%	0.562	56%	0.563	S	S	*	*	H	α-helix	trans	-78.1	-31.2	179.7	0	0	0	0	0	112.7	N32 S33	N32-A35 PolarHBondContact O-N 3.33Å; S33-A35 VanDerWaalsContact C-N 3.3Å; S33-A35 PolarHBondContact O-N 3.3Å
36	D	44.3	Very low	48.2	Very low	119 Å²	119	106 Å²	106	64%	0.636	54%	0.538	S	S	*	.	H	α-helix	trans	-78.8	-26.9	177.6	-88.7	-23.2	0	0	0	113	S33 H38 K39	S33-D36 PolarHBondContact O-N 3.15Å; D36-H38 PolarHBondContact O-N 2.91Å; D36-H38 VanDerWaalsContact O-N 3.13Å; D36-K39 PolarHBondContact O-N 2.68Å; D36-K39 VanDerWaalsContact O-N 3.12Å
37	F	50.4	Low	50.9	Low	32 Å²	32	103.6 Å²	103.6	14%	0.14	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.7	179	-170.5	-92.9	0	0	0	113.2	S33 W45 F74 Y114 V126	S33-F37 PolarHBondContact O-N 2.95Å; F37-W45 HydrophobicContact CE1-CH2 4.35Å; F37-W45 HydrophobicContact CE1-CZ2 4.12Å; F37-W45 AromaticContact CE2-CH2 3.56Å; F37-W45 HydrophobicContact CE2-CH2 3.56Å; F37-W45 AromaticContact CE2-CZ2 3.72Å; F37-W45 HydrophobicContact CE2-CZ2 3.72Å; F37-W45 AromaticContact CZ-CH2 3.23Å; F37-W45 HydrophobicContact CZ-CH2 3.23Å; F37-W45 AromaticContact CZ-CZ2 3.32Å; F37-W45 HydrophobicContact CZ-CZ2 3.32Å; F37-W45 HydrophobicContact CZ-CZ3 4.31Å; F37-F74 HydrophobicContact CD2-CB 4.06Å; F37-F74 AromaticContact CD2-CD1 3.36Å; F37-F74 HydrophobicContact CD2-CD1 3.36Å; F37-F74 AromaticContact CD2-CE1 3.98Å; F37-F74 HydrophobicContact CD2-CE1 3.98Å; F37-F74 AromaticContact CD2-CG 3.87Å; F37-F74 HydrophobicContact CD2-CG 3.87Å; F37-F74 HydrophobicContact CE2-CB 4.34Å; F37-F74 AromaticContact CE2-CD1 3.48Å; F37-F74 HydrophobicContact CE2-CD1 3.48Å; F37-F74 VanDerWaalsContact CE2-CD1 3.48Å; F37-F74 HydrophobicContact CE2-CE1 4.19Å; F37-F74 HydrophobicContact CE2-CG 4.26Å; F37-F74 HydrophobicContact CG-CD1 4.18Å; F37-F74 HydrophobicContact CG-CE1 4.38Å; F37-F74 HydrophobicContact CZ-CD1 4.4Å; F37-Y114 HydrophobicContact CD1-CD1 4.23Å; F37-Y114 HydrophobicContact CD1-CG 4.23Å; F37-Y114 VanDerWaalsContact CE1-CB 3.48Å; F37-Y114 HydrophobicContact CE1-CD1 4.32Å; F37-Y114 HydrophobicContact CE1-CD2 4.38Å; F37-Y114 AromaticContact CE1-CG 3.85Å; F37-Y114 HydrophobicContact CE1-CG 3.85Å; F37-Y114 HydrophobicContact CZ-CG 4.42Å; F37-V126 HydrophobicContact CZ-CG1 4.3Å
38	H	48.4	Very low	53.6	Low	97 Å²	97	105.5 Å²	105.5	45%	0.449	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.6	-178.3	-79.1	-58.1	0	0	0	115.1	D36 R112	D36-H38 PolarHBondContact O-N 2.91Å; D36-H38 VanDerWaalsContact O-N 3.13Å; H38-R112 PolarHBondContact CD2-NH2 3.18Å; H38-R112 PolarHBondContact NE2-NH2 2.89Å
39	K	48.4	Very low	56.5	Low	173 Å²	173	96.1 Å²	96.1	75%	0.752	49%	0.493	S	S	*	.	S	Bend	trans	-95.8	1.3	-162.8	-101.2	-179.2	178.1	178.5	0	117	D36	D36-K39 PolarHBondContact O-N 2.68Å; D36-K39 VanDerWaalsContact O-N 3.12Å
40	K	45.3	Very low	59.5	Low	194 Å²	194	92.9 Å²	92.9	84%	0.843	47%	0.47	S	S	*	.	S	Bend	trans	-136.9	0.1	-168.9	-86.7	-176.8	178.7	173.5	0	120.9
41	R	48.3	Very low	62.4	Low	103 Å²	103	88.6 Å²	88.6	39%	0.389	45%	0.452	S	S	.	.			trans	-119.5	114.7	-177.7	-71.9	-175	69.3	141.7	-2.9	114.4	S43 D49 E69	R41-S43 PolarHBondContact NH2-OG 3.37Å; R41-D49 IonicContact CZ-OD1 3.24Å; R41-D49 IonicContact CZ-OD2 2.88Å; R41-D49 IonicContact NH1-OD1 2.71Å; R41-D49 PolarHBondContact NH1-OD1 3.44Å; R41-D49 IonicContact NH1-OD2 2.71Å; R41-D49 IonicContact NH2-OD1 2.76Å; R41-D49 PolarHBondContact NH2-OD1 3.23Å; R41-D49 IonicContact NH2-OD2 2.8Å; R41-D49 PolarHBondContact NH2-OD2 3.47Å; R41-E69 IonicContact NH1-OE1 2.91Å
42	K	46.3	Very low	65.1	Low	227 Å²	227	87.1 Å²	87.1	99%	0.987	44%	0.44	S	S	*	.			trans	-82.1	-11.8	166	-76.7	-176.1	175.9	-179.7	0	113.1
43	S	58.7	Low	68.1	Low	70 Å²	70	82.1 Å²	82.1	49%	0.49	42%	0.417	S	S	.	.	S	Bend	trans	-98.5	144.5	-177	64.9	0	0	0	0	113	R41	R41-S43 PolarHBondContact NH2-OG 3.37Å
44	K	75.1	Confident	70.5	Confident	126 Å²	126	86.3 Å²	86.3	55%	0.548	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-62.5	131.2	174.5	-166.1	176.8	-176.1	179.6	0	109.5	Y118	K44-Y118 VanDerWaalsContact NZ-CE1 3.3Å; K44-Y118 PolarHBondContact NZ-OH 3.27Å; K44-Y118 VanDerWaalsContact NZ-OH 3.16Å
45	W	81.9	Confident	73	Confident	27 Å²	27	89.3 Å²	89.3	10%	0.102	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-62.2	144.6	176.1	-79.9	39.3	0	0	0	111.5	F37 L50 E69 I76 F117 V126	F37-W45 HydrophobicContact CE1-CH2 4.35Å; F37-W45 HydrophobicContact CE1-CZ2 4.12Å; F37-W45 AromaticContact CE2-CH2 3.56Å; F37-W45 HydrophobicContact CE2-CH2 3.56Å; F37-W45 AromaticContact CE2-CZ2 3.72Å; F37-W45 HydrophobicContact CE2-CZ2 3.72Å; F37-W45 AromaticContact CZ-CH2 3.23Å; F37-W45 HydrophobicContact CZ-CH2 3.23Å; F37-W45 AromaticContact CZ-CZ2 3.32Å; F37-W45 HydrophobicContact CZ-CZ2 3.32Å; F37-W45 HydrophobicContact CZ-CZ3 4.31Å; W45-L50 HydrophobicContact CE3-CD2 4.11Å; W45-L50 HydrophobicContact CH2-CD2 4.33Å; W45-L50 HydrophobicContact CZ3-CD1 4.48Å; W45-L50 HydrophobicContact CZ3-CD2 3.59Å; W45-L50 HydrophobicContact CZ3-CG 4.47Å; W45-E69 HydrophobicContact CH2-CB 3.89Å; W45-E69 HydrophobicContact CH2-CG 3.48Å; W45-E69 VanDerWaalsContact CH2-CG 3.48Å; W45-E69 HydrophobicContact CZ2-CG 3.78Å; W45-E69 HydrophobicContact CZ3-CG 4.24Å; W45-I76 HydrophobicContact CZ3-CD1 4.15Å; W45-F117 HydrophobicContact CB-CB 4.3Å; W45-F117 HydrophobicContact CB-CD1 3.72Å; W45-F117 HydrophobicContact CB-CE1 4.22Å; W45-F117 HydrophobicContact CB-CG 4.05Å; W45-F117 HydrophobicContact CE3-CD1 4.45Å; W45-F117 HydrophobicContact CE3-CE1 4.09Å; W45-F117 WeakPolarHBondContact O-CB 3.5Å; W45-V126 HydrophobicContact CE3-CG2 3.84Å; W45-V126 HydrophobicContact CH2-CG1 4.21Å; W45-V126 HydrophobicContact CZ3-CB 4.5Å; W45-V126 HydrophobicContact CZ3-CG1 3.82Å; W45-V126 HydrophobicContact CZ3-CG2 3.86Å
46	T	89.8	Confident	75.4	Confident	63 Å²	63	88.6 Å²	88.6	39%	0.387	42%	0.42	S	S	.	.			trans	-121.9	169.6	166.5	74.6	0	0	0	0	110.5	D48 D49	T46-D48 PolarHBondContact O-N 2.58Å; T46-D48 PolarHBondContact OG1-N 3.01Å; T46-D49 PolarHBondContact N-OD2 2.97Å; T46-D49 WeakPolarHBondContact O-CB 3.45Å; T46-D49 PolarHBondContact O-N 2.73Å
47	I	91.4	Very high	77.5	Confident	44 Å²	44	84.1 Å²	84.1	23%	0.226	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-64.2	-25.8	176.3	-162.8	58.6	0	0	0	112	D49 L50 I52 L78 F117 Y124	I47-D49 PolarHBondContact O-N 2.72Å; I47-L50 HydrophobicContact CD1-CD1 4.41Å; I47-L50 PolarHBondContact O-N 3.24Å; I47-L50 VanDerWaalsContact O-N 3.13Å; I47-I52 HydrophobicContact CD1-CD1 3.64Å; I47-I52 HydrophobicContact CD1-CG1 4.31Å; I47-I52 HydrophobicContact CG1-CD1 3.99Å; I47-L78 HydrophobicContact CD1-CD2 3.84Å; I47-F117 HydrophobicContact CB-CE2 4.35Å; I47-F117 HydrophobicContact CD1-CE2 4.5Å; I47-F117 HydrophobicContact CD1-CZ 4.37Å; I47-Y124 HydrophobicContact CD1-CD1 3.96Å; I47-Y124 HydrophobicContact CD1-CE1 3.53Å; I47-Y124 HydrophobicContact CG1-CE1 4.21Å
48	D	92.6	Very high	79.3	Confident	119 Å²	119	87.7 Å²	87.7	64%	0.636	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-69.9	-17.8	-179.9	-52.6	-49.9	0	0	0	112.7	T46 L50 K70	T46-D48 PolarHBondContact O-N 2.58Å; T46-D48 PolarHBondContact OG1-N 3.01Å; D48-L50 PolarHBondContact O-N 3.47Å; D48-K70 WeakPolarHBondContact O-CD 3.33Å; D48-K70 WeakPolarHBondContact O-CE 3.34Å; D48-K70 PolarHBondContact O-NZ 2.9Å
49	D	92.8	Very high	80.7	Confident	31 Å²	31	84.6 Å²	84.6	17%	0.166	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-74.1	-7	173.5	-68.4	-61	0	0	0	112.9	R41 T46 I47 K70	R41-D49 IonicContact CZ-OD1 3.24Å; R41-D49 IonicContact CZ-OD2 2.88Å; R41-D49 IonicContact NH1-OD1 2.71Å; R41-D49 PolarHBondContact NH1-OD1 3.44Å; R41-D49 IonicContact NH1-OD2 2.71Å; R41-D49 IonicContact NH2-OD1 2.76Å; R41-D49 PolarHBondContact NH2-OD1 3.23Å; R41-D49 IonicContact NH2-OD2 2.8Å; R41-D49 PolarHBondContact NH2-OD2 3.47Å; T46-D49 PolarHBondContact N-OD2 2.97Å; T46-D49 WeakPolarHBondContact O-CB 3.45Å; T46-D49 PolarHBondContact O-N 2.73Å; I47-D49 PolarHBondContact O-N 2.72Å; D49-K70 WeakPolarHBondContact O-CB 3.24Å; D49-K70 WeakPolarHBondContact O-CG 3.41Å; D49-K70 PolarHBondContact O-N 2.92Å
50	L	94.9	Very high	82.1	Confident	8 Å²	8	83.4 Å²	83.4	4%	0.042	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.3	-169.5	-57.7	-177.4	0	0	0	112.9	W45 I47 D48 R68 E69 K70 I76 L78 F117	W45-L50 HydrophobicContact CE3-CD2 4.11Å; W45-L50 HydrophobicContact CH2-CD2 4.33Å; W45-L50 HydrophobicContact CZ3-CD1 4.48Å; W45-L50 HydrophobicContact CZ3-CD2 3.59Å; W45-L50 HydrophobicContact CZ3-CG 4.47Å; I47-L50 HydrophobicContact CD1-CD1 4.41Å; I47-L50 PolarHBondContact O-N 3.24Å; I47-L50 VanDerWaalsContact O-N 3.13Å; D48-L50 PolarHBondContact O-N 3.47Å; L50-R68 WeakPolarHBondContact CA-O 3.44Å; L50-E69 HydrophobicContact CD2-CB 4.07Å; L50-E69 HydrophobicContact CD2-CG 4.33Å; L50-K70 WeakPolarHBondContact O-CE 3.26Å; L50-I76 HydrophobicContact CD1-CD1 4.17Å; L50-I76 HydrophobicContact CD2-CD1 3.9Å; L50-L78 HydrophobicContact CD1-CD1 3.73Å; L50-L78 HydrophobicContact CD1-CD2 3.75Å; L50-L78 HydrophobicContact CD1-CG 4.35Å; L50-F117 HydrophobicContact CD1-CE1 4.17Å; L50-F117 HydrophobicContact CD1-CZ 3.87Å
51	D	95.9	Very high	84	Confident	39 Å²	39	75.4 Å²	75.4	21%	0.209	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.7	159.1	-57	-36.8	0	0	0	107.4	A67 R68 K70 R73 F345	D51-A67 CarbonylContact O-C 3.6Å; D51-A67 WeakPolarHBondContact O-CA 3.38Å; D51-A67 WeakPolarHBondContact O-CB 2.97Å; D51-R68 HydrophobicContact CB-CB 4.34Å; D51-R68 PolarHBondContact N-O 2.79Å; D51-R68 PolarHBondContact O-N 3.21Å; D51-R68 IonicContact OD2-CZ 3.62Å; D51-R68 IonicContact OD2-NE 3.99Å; D51-R68 PolarHBondContact OD2-NE 2.79Å; D51-R68 VanDerWaalsContact OD2-NE 3.09Å; D51-R68 IonicContact OD2-NH2 3.64Å; D51-R68 PolarHBondContact OD2-NH2 2.96Å; D51-K70 WeakPolarHBondContact OD1-CE 3.34Å; D51-K70 WeakPolarHBondContact OD1-CG 3.14Å; D51-R73 IonicContact OD2-NH1 3.27Å; D51-R73 PolarHBondContact OD2-NH1 3.13Å; D51-F345 HydrophobicContact CB-CD1 3.83Å; D51-F345 HydrophobicContact CB-CE1 3.9Å; D51-F345 WeakPolarHBondContact O-CE1 3.2Å
52	I	95.9	Very high	86	Confident	80 Å²	80	70.7 Å²	70.7	41%	0.41	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.4	178.7	-52.1	175.3	0	0	0	108.7	I47 H65	I47-I52 HydrophobicContact CD1-CD1 3.64Å; I47-I52 HydrophobicContact CD1-CG1 4.31Å; I47-I52 HydrophobicContact CG1-CD1 3.99Å; I52-H65 HydrophobicContact CG2-CB 3.89Å
53	G	95.8	Very high	88.3	Confident	16 Å²	16	60.9 Å²	60.9	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-154	175.5	0	0	0	0	0	113.1	L66	G53-L66 CarbonylContact C-O 3.53Å; G53-L66 WeakPolarHBondContact CA-O 3.3Å; G53-L66 PolarHBondContact N-O 2.59Å
54	R	95.9	Very high	90.1	Very high	127 Å²	127	59.2 Å²	59.2	48%	0.479	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	152	-177.1	71.3	-177.2	-176.9	-150.3	2.4	113.1	L66 T344	R54-L66 HydrophobicContact CG-CB 4.32Å; R54-L66 PolarHBondContact O-N 2.79Å; R54-T344 HydrophobicContact CB-CG2 4.49Å; R54-T344 HydrophobicContact CG-CG2 4.35Å
55	K	96.3	Very high	91.1	Very high	112 Å²	112	55 Å²	55	49%	0.487	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.2	170.3	-171.2	-179.7	-179.3	-177.5	0	110.2	G57 E58	K55-G57 VanDerWaalsContact CE-O 3.29Å; K55-G57 WeakPolarHBondContact CE-O 3.34Å; K55-E58 WeakPolarHBondContact CE-OE2 3.34Å; K55-E58 IonicContact NZ-OE2 3.34Å; K55-E58 PolarHBondContact NZ-OE2 3.07Å
56	L	94.2	Very high	91.9	Very high	53 Å²	53	54 Å²	54	28%	0.277	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-34	176	-63.6	174.7	0	0	0	111.7	V64 L66 A77 Y129	L56-V64 HydrophobicContact CB-CB 4.46Å; L56-V64 HydrophobicContact CB-CG1 4.25Å; L56-V64 HydrophobicContact CD1-CG1 4.26Å; L56-V64 PolarHBondContact N-O 2.91Å; L56-L66 HydrophobicContact CD1-CB 4.2Å; L56-L66 HydrophobicContact CD2-CB 4.17Å; L56-L66 HydrophobicContact CG-CB 4.16Å; L56-A77 HydrophobicContact CD1-CB 4.08Å; L56-Y129 HydrophobicContact CD1-CD2 3.9Å; L56-Y129 HydrophobicContact CD1-CE2 3.91Å; L56-Y129 HydrophobicContact CD2-CE2 4Å
57	G	90	Very high	92.2	Very high	25 Å²	25	51 Å²	51	26%	0.258	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	168.8	179.6	0	0	0	0	0	113.2	K55 V64	K55-G57 VanDerWaalsContact CE-O 3.29Å; K55-G57 WeakPolarHBondContact CE-O 3.34Å; G57-V64 PolarHBondContact N-O 3.09Å; G57-V64 PolarHBondContact O-N 2.8Å
58	E	87.2	Confident	92.5	Very high	108 Å²	108	51.1 Å²	51.1	51%	0.505	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.1	169.8	-172.4	79.2	-178.5	0	0	107.9	K55 R85	K55-E58 WeakPolarHBondContact CE-OE2 3.34Å; K55-E58 IonicContact NZ-OE2 3.34Å; K55-E58 PolarHBondContact NZ-OE2 3.07Å; E58-R85 IonicContact OE1-NH1 3.58Å
59	G	79.1	Confident	92.6	Very high	31 Å²	31	45.9 Å²	45.9	32%	0.32	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	177.2	171.3	0	0	0	0	0	111.2	F61 G62	G59-F61 VanDerWaalsContact C-N 3.28Å; G59-F61 PolarHBondContact O-N 2.98Å; G59-G62 CarbonylContact C-O 3.55Å; G59-G62 PolarHBondContact N-O 3.37Å; G59-G62 PolarHBondContact O-N 3.29Å
60	R	77.5	Confident	92.6	Very high	148 Å²	148	48.7 Å²	48.7	56%	0.558	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-38.9	-176.8	-174.6	176.9	176.3	-161.3	2.8	114.3
61	F	84.1	Confident	92.5	Very high	26 Å²	26	52.4 Å²	52.4	11%	0.114	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	6.4	-172.9	-52.9	-64.6	0	0	0	114	G59 L81 L82 L86 L91	G59-F61 VanDerWaalsContact C-N 3.28Å; G59-F61 PolarHBondContact O-N 2.98Å; F61-L81 HydrophobicContact CB-CD2 4.08Å; F61-L82 PolarHBondContact O-N 2.9Å; F61-L86 HydrophobicContact CB-CD2 4.04Å; F61-L86 HydrophobicContact CD1-CD2 3.73Å; F61-L86 HydrophobicContact CD2-CD2 4.18Å; F61-L86 HydrophobicContact CE1-CD2 4.22Å; F61-L86 HydrophobicContact CG-CD2 3.71Å; F61-L91 HydrophobicContact CE1-CD1 4.06Å; F61-L91 HydrophobicContact CE1-CD2 3.88Å; F61-L91 HydrophobicContact CE1-CG 4.5Å; F61-L91 HydrophobicContact CZ-CD2 3.53Å
62	G	89.7	Confident	92.3	Very high	5 Å²	5	53.5 Å²	53.5	5%	0.052	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-145.2	-180	0	0	0	0	0	112.5	G59 I80	G59-G62 CarbonylContact C-O 3.55Å; G59-G62 PolarHBondContact N-O 3.37Å; G59-G62 PolarHBondContact O-N 3.29Å; G62-I80 CarbonylContact C-O 3.56Å; G62-I80 VanDerWaalsContact CA-O 3.28Å; G62-I80 WeakPolarHBondContact CA-O 3.43Å
63	S	95	Very high	92.2	Very high	20 Å²	20	56.7 Å²	56.7	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.5	-168.5	56.5	0	0	0	0	112.3	H65 I80	S63-H65 WeakPolarHBondContact CB-NE2 3.38Å; S63-H65 PolarHBondContact OG-CD2 3.19Å; S63-H65 PolarHBondContact OG-NE2 3.38Å; S63-I80 PolarHBondContact N-O 2.86Å; S63-I80 VanDerWaalsContact N-O 3.09Å; S63-I80 PolarHBondContact O-N 3.16Å
64	V	96.1	Very high	92.1	Very high	36 Å²	36	56.8 Å²	56.8	22%	0.218	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.3	171.7	-174.2	0	0	0	0	108.1	L56 G57 A77 L78 K79	L56-V64 HydrophobicContact CB-CB 4.46Å; L56-V64 HydrophobicContact CB-CG1 4.25Å; L56-V64 HydrophobicContact CD1-CG1 4.26Å; L56-V64 PolarHBondContact N-O 2.91Å; G57-V64 PolarHBondContact N-O 3.09Å; G57-V64 PolarHBondContact O-N 2.8Å; V64-A77 HydrophobicContact CG1-CB 4.14Å; V64-L78 WeakPolarHBondContact CA-O 3.34Å; V64-K79 HydrophobicContact CG2-CB 4.14Å; V64-K79 HydrophobicContact CG2-CD 4.5Å; V64-K79 HydrophobicContact CG2-CG 4Å
65	H	97.8	Very high	92.1	Very high	37 Å²	37	52.4 Å²	52.4	17%	0.171	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147	-179.3	-70.4	-107.3	0	0	0	110.9	I52 S63 A77 L78	I52-H65 HydrophobicContact CG2-CB 3.89Å; S63-H65 WeakPolarHBondContact CB-NE2 3.38Å; S63-H65 PolarHBondContact OG-CD2 3.19Å; S63-H65 PolarHBondContact OG-NE2 3.38Å; H65-A77 CarbonylContact O-C 3.28Å; H65-A77 WeakPolarHBondContact O-CA 3.28Å; H65-L78 PolarHBondContact N-O 3.43Å; H65-L78 PolarHBondContact O-N 3.33Å
66	L	97.6	Very high	92.1	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.6	162.1	-174.3	67.2	0	0	0	106.9	G53 R54 L56 V75 Y129 T344 F345	G53-L66 CarbonylContact C-O 3.53Å; G53-L66 WeakPolarHBondContact CA-O 3.3Å; G53-L66 PolarHBondContact N-O 2.59Å; R54-L66 HydrophobicContact CG-CB 4.32Å; R54-L66 PolarHBondContact O-N 2.79Å; L56-L66 HydrophobicContact CD1-CB 4.2Å; L56-L66 HydrophobicContact CD2-CB 4.17Å; L56-L66 HydrophobicContact CG-CB 4.16Å; L66-V75 HydrophobicContact CD1-CG1 3.49Å; L66-V75 VanDerWaalsContact CD1-CG1 3.49Å; L66-V75 HydrophobicContact CG-CG1 4.37Å; L66-Y129 HydrophobicContact CD1-CD1 3.97Å; L66-Y129 HydrophobicContact CD1-CD2 3.58Å; L66-Y129 HydrophobicContact CD1-CE1 3.94Å; L66-Y129 HydrophobicContact CD1-CE2 3.58Å; L66-Y129 HydrophobicContact CD1-CG 3.78Å; L66-T344 HydrophobicContact CD2-CG2 4.15Å; L66-F345 HydrophobicContact CD2-CE2 3.9Å; L66-F345 HydrophobicContact CD2-CZ 4.13Å; L66-F345 HydrophobicContact CG-CE2 4.26Å; L66-F345 HydrophobicContact CG-CZ 4.06Å
67	A	97.6	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163.2	174.3	0	0	0	0	0	110.4	D51 V75 I76 L78	D51-A67 CarbonylContact O-C 3.6Å; D51-A67 WeakPolarHBondContact O-CA 3.38Å; D51-A67 WeakPolarHBondContact O-CB 2.97Å; A67-V75 WeakPolarHBondContact O-CA 3.45Å; A67-I76 HydrophobicContact CB-CD1 4.05Å; A67-I76 HydrophobicContact CB-CG1 3.86Å; A67-I76 PolarHBondContact N-O 2.79Å; A67-I76 WeakPolarHBondContact O-CG1 3.38Å; A67-I76 PolarHBondContact O-N 3.28Å; A67-I76 VanDerWaalsContact O-O 3.07Å; A67-L78 HydrophobicContact CB-CB 4Å; A67-L78 HydrophobicContact CB-CD2 4.48Å
68	R	96.6	Very high	92.6	Very high	46 Å²	46	43.8 Å²	43.8	17%	0.174	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128	177.1	-178.4	179.9	65.2	-162.5	-2.1	109	L50 D51 K70 R73 F74 F345	L50-R68 WeakPolarHBondContact CA-O 3.44Å; D51-R68 HydrophobicContact CB-CB 4.34Å; D51-R68 PolarHBondContact N-O 2.79Å; D51-R68 PolarHBondContact O-N 3.21Å; D51-R68 IonicContact OD2-CZ 3.62Å; D51-R68 IonicContact OD2-NE 3.99Å; D51-R68 PolarHBondContact OD2-NE 2.79Å; D51-R68 VanDerWaalsContact OD2-NE 3.09Å; D51-R68 IonicContact OD2-NH2 3.64Å; D51-R68 PolarHBondContact OD2-NH2 2.96Å; R68-K70 PolarHBondContact O-N 3.13Å; R68-R73 HydrophobicContact CG-CB 4.48Å; R68-R73 WeakPolarHBondContact CG-O 3.39Å; R68-F74 CarbonylContact C-O 3.47Å; R68-F74 WeakPolarHBondContact CA-O 3.28Å; R68-F345 HydrophobicContact CB-CD1 4.41Å; R68-F345 HydrophobicContact CB-CE1 3.89Å; R68-F345 HydrophobicContact CB-CE2 4.32Å; R68-F345 HydrophobicContact CB-CZ 3.83Å
69	E	94.4	Very high	93	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.1	173.1	-169.9	-90.9	172.5	0	0	109.4	R41 W45 L50 A71 S72 R73 F74	R41-E69 IonicContact NH1-OE1 2.91Å; W45-E69 HydrophobicContact CH2-CB 3.89Å; W45-E69 HydrophobicContact CH2-CG 3.48Å; W45-E69 VanDerWaalsContact CH2-CG 3.48Å; W45-E69 HydrophobicContact CZ2-CG 3.78Å; W45-E69 HydrophobicContact CZ3-CG 4.24Å; L50-E69 HydrophobicContact CD2-CB 4.07Å; L50-E69 HydrophobicContact CD2-CG 4.33Å; E69-A71 PolarHBondContact O-N 3.37Å; E69-A71 WeakPolarHBondContact OE1-CB 3.37Å; E69-A71 PolarHBondContact OE2-N 3.34Å; E69-S72 WeakPolarHBondContact OE2-CA 3.41Å; E69-S72 WeakPolarHBondContact OE2-CB 2.96Å; E69-S72 PolarHBondContact OE2-N 3.26Å; E69-S72 PolarHBondContact OE2-OG 3.29Å; E69-R73 WeakPolarHBondContact O-CA 2.97Å; E69-R73 PolarHBondContact O-N 3.3Å; E69-F74 PolarHBondContact N-O 2.75Å
70	K	93.5	Very high	93.9	Very high	90 Å²	90	39.1 Å²	39.1	39%	0.391	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.9	-167.2	-76.1	177	179.5	170.8	0	113.1	D48 D49 L50 D51 R68	D48-K70 WeakPolarHBondContact O-CD 3.33Å; D48-K70 WeakPolarHBondContact O-CE 3.34Å; D48-K70 PolarHBondContact O-NZ 2.9Å; D49-K70 WeakPolarHBondContact O-CB 3.24Å; D49-K70 WeakPolarHBondContact O-CG 3.41Å; D49-K70 PolarHBondContact O-N 2.92Å; L50-K70 WeakPolarHBondContact O-CE 3.26Å; D51-K70 WeakPolarHBondContact OD1-CE 3.34Å; D51-K70 WeakPolarHBondContact OD1-CG 3.14Å; R68-K70 PolarHBondContact O-N 3.13Å
71	A	91.5	Very high	94.7	Very high	86 Å²	86	32.3 Å²	32.3	71%	0.711	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-46.7	-171.3	0	0	0	0	0	113.3	E69	E69-A71 PolarHBondContact O-N 3.37Å; E69-A71 WeakPolarHBondContact OE1-CB 3.37Å; E69-A71 PolarHBondContact OE2-N 3.34Å
72	S	92.2	Very high	95.1	Very high	62 Å²	62	33.5 Å²	33.5	43%	0.434	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-11.7	-178.9	69.8	0	0	0	0	113.4	E69 F74	E69-S72 WeakPolarHBondContact OE2-CA 3.41Å; E69-S72 WeakPolarHBondContact OE2-CB 2.96Å; E69-S72 PolarHBondContact OE2-N 3.26Å; E69-S72 PolarHBondContact OE2-OG 3.29Å; S72-F74 PolarHBondContact O-N 2.88Å; S72-F74 WeakPolarHBondContact OG-CB 3.4Å; S72-F74 PolarHBondContact OG-N 2.77Å
73	R	93.2	Very high	95.3	Very high	146 Å²	146	36.3 Å²	36.3	55%	0.551	19%	0.19	S	C	*	.			trans	60.5	18.3	-171.1	-55.3	-60.2	-168	172.8	3.9	113.5	D51 R68 E69 V75	D51-R73 IonicContact OD2-NH1 3.27Å; D51-R73 PolarHBondContact OD2-NH1 3.13Å; R68-R73 HydrophobicContact CG-CB 4.48Å; R68-R73 WeakPolarHBondContact CG-O 3.39Å; E69-R73 WeakPolarHBondContact O-CA 2.97Å; E69-R73 PolarHBondContact O-N 3.3Å; R73-V75 PolarHBondContact O-N 2.95Å
74	F	93.9	Very high	95.1	Very high	19 Å²	19	40.1 Å²	40.1	8%	0.083	22%	0.215	C	C	.	.			trans	-69.9	128.9	179.9	-171.6	-113.4	0	0	0	111.5	S33 F37 R68 E69 S72 I76 Y114	S33-F74 WeakPolarHBondContact OG-CD2 3.35Å; F37-F74 HydrophobicContact CD2-CB 4.06Å; F37-F74 AromaticContact CD2-CD1 3.36Å; F37-F74 HydrophobicContact CD2-CD1 3.36Å; F37-F74 AromaticContact CD2-CE1 3.98Å; F37-F74 HydrophobicContact CD2-CE1 3.98Å; F37-F74 AromaticContact CD2-CG 3.87Å; F37-F74 HydrophobicContact CD2-CG 3.87Å; F37-F74 HydrophobicContact CE2-CB 4.34Å; F37-F74 AromaticContact CE2-CD1 3.48Å; F37-F74 HydrophobicContact CE2-CD1 3.48Å; F37-F74 VanDerWaalsContact CE2-CD1 3.48Å; F37-F74 HydrophobicContact CE2-CE1 4.19Å; F37-F74 HydrophobicContact CE2-CG 4.26Å; F37-F74 HydrophobicContact CG-CD1 4.18Å; F37-F74 HydrophobicContact CG-CE1 4.38Å; F37-F74 HydrophobicContact CZ-CD1 4.4Å; R68-F74 CarbonylContact C-O 3.47Å; R68-F74 WeakPolarHBondContact CA-O 3.28Å; E69-F74 PolarHBondContact N-O 2.75Å; S72-F74 PolarHBondContact O-N 2.88Å; S72-F74 WeakPolarHBondContact OG-CB 3.4Å; S72-F74 PolarHBondContact OG-N 2.77Å; F74-I76 HydrophobicContact CD1-CG2 3.55Å; F74-I76 HydrophobicContact CE1-CG2 3.78Å; F74-Y114 HydrophobicContact CE1-CD2 4.35Å; F74-Y114 AromaticContact CE1-CE2 3.63Å; F74-Y114 HydrophobicContact CE1-CE2 3.63Å; F74-Y114 AromaticContact CE1-CZ 3.73Å; F74-Y114 HydrophobicContact CZ-CE2 4.24Å; F74-Y114 AromaticContact CZ-CZ 3.93Å; F74-Y114 WeakPolarHBondContact CZ-OH 3.48Å
75	V	96.6	Very high	94.7	Very high	35 Å²	35	44 Å²	44	21%	0.212	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132	-178.9	180	0	0	0	0	109.9	L66 A67 R73 Y129	L66-V75 HydrophobicContact CD1-CG1 3.49Å; L66-V75 VanDerWaalsContact CD1-CG1 3.49Å; L66-V75 HydrophobicContact CG-CG1 4.37Å; A67-V75 WeakPolarHBondContact O-CA 3.45Å; R73-V75 PolarHBondContact O-N 2.95Å; V75-Y129 HydrophobicContact CG1-CD1 3.68Å; V75-Y129 HydrophobicContact CG1-CE1 4.33Å; V75-Y129 HydrophobicContact CG1-CG 4.05Å
76	I	97.4	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163.5	-175.8	55.5	161.6	0	0	0	110.6	W45 L50 A67 F74 Y114 V126	W45-I76 HydrophobicContact CZ3-CD1 4.15Å; L50-I76 HydrophobicContact CD1-CD1 4.17Å; L50-I76 HydrophobicContact CD2-CD1 3.9Å; A67-I76 HydrophobicContact CB-CD1 4.05Å; A67-I76 HydrophobicContact CB-CG1 3.86Å; A67-I76 PolarHBondContact N-O 2.79Å; A67-I76 WeakPolarHBondContact O-CG1 3.38Å; A67-I76 PolarHBondContact O-N 3.28Å; A67-I76 VanDerWaalsContact O-O 3.07Å; F74-I76 HydrophobicContact CD1-CG2 3.55Å; F74-I76 HydrophobicContact CE1-CG2 3.78Å; I76-Y114 HydrophobicContact CG2-CD2 4.26Å; I76-Y114 HydrophobicContact CG2-CE2 4.22Å; I76-V126 HydrophobicContact CB-CG1 4.33Å; I76-V126 HydrophobicContact CD1-CG1 3.71Å; I76-V126 HydrophobicContact CG2-CG1 4.11Å
77	A	97.6	Very high	93.5	Very high	8 Å²	8	48 Å²	48	7%	0.066	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.7	162.1	0	0	0	0	0	109.1	L56 V64 H65 L127	L56-A77 HydrophobicContact CD1-CB 4.08Å; V64-A77 HydrophobicContact CG1-CB 4.14Å; H65-A77 CarbonylContact O-C 3.28Å; H65-A77 WeakPolarHBondContact O-CA 3.28Å; A77-L127 HydrophobicContact CB-CB 4.19Å; A77-L127 PolarHBondContact N-O 2.76Å; A77-L127 WeakPolarHBondContact O-CA 3.45Å; A77-L127 WeakPolarHBondContact O-CB 3.49Å; A77-L127 PolarHBondContact O-N 3.38Å
78	L	97.1	Very high	92.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	105.5	-179	-169	70.6	0	0	0	109.6	I47 L50 V64 H65 A67 I80 F117 Y124 L125 V126	I47-L78 HydrophobicContact CD1-CD2 3.84Å; L50-L78 HydrophobicContact CD1-CD1 3.73Å; L50-L78 HydrophobicContact CD1-CD2 3.75Å; L50-L78 HydrophobicContact CD1-CG 4.35Å; V64-L78 WeakPolarHBondContact CA-O 3.34Å; H65-L78 PolarHBondContact N-O 3.43Å; H65-L78 PolarHBondContact O-N 3.33Å; A67-L78 HydrophobicContact CB-CB 4Å; A67-L78 HydrophobicContact CB-CD2 4.48Å; L78-I80 HydrophobicContact CD2-CD1 4.17Å; L78-I80 HydrophobicContact CD2-CG1 4.16Å; L78-I80 HydrophobicContact CG-CG1 4.11Å; L78-F117 HydrophobicContact CD1-CE1 4.11Å; L78-F117 HydrophobicContact CD1-CZ 4.18Å; L78-Y124 HydrophobicContact CD1-CD1 4.44Å; L78-Y124 HydrophobicContact CD2-CD1 4.08Å; L78-Y124 HydrophobicContact CG-CD1 4.32Å; L78-L125 WeakPolarHBondContact CA-O 3.41Å; L78-V126 HydrophobicContact CD1-CG2 4.1Å
79	K	95.9	Very high	92.4	Very high	24 Å²	24	57.6 Å²	57.6	10%	0.104	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.3	173.6	-173.5	173.2	-175.5	-176.2	0	108.5	V64 L81 E98 Y124 L125 L127 D191	V64-K79 HydrophobicContact CG2-CB 4.14Å; V64-K79 HydrophobicContact CG2-CD 4.5Å; V64-K79 HydrophobicContact CG2-CG 4Å; K79-L81 HydrophobicContact CD-CD2 4.45Å; K79-L81 HydrophobicContact CG-CD2 4.05Å; K79-E98 IonicContact NZ-OE1 2.84Å; K79-E98 PolarHBondContact NZ-OE1 2.83Å; K79-E98 IonicContact NZ-OE2 2.73Å; K79-Y124 CarbonylContact O-C 3.59Å; K79-Y124 WeakPolarHBondContact O-CA 3.18Å; K79-L125 HydrophobicContact CB-CB 4.15Å; K79-L125 HydrophobicContact CB-CG 4.48Å; K79-L125 HydrophobicContact CD-CD1 4.2Å; K79-L125 PolarHBondContact N-O 3.05Å; K79-L125 PolarHBondContact O-N 2.93Å; K79-L127 HydrophobicContact CB-CD1 3.98Å; K79-L127 HydrophobicContact CD-CD1 4.44Å; K79-D191 IonicContact NZ-OD1 2.59Å; K79-D191 PolarHBondContact NZ-OD1 2.91Å; K79-D191 IonicContact NZ-OD2 3.85Å
80	I	96	Very high	91.9	Very high	17 Å²	17	61.9 Å²	61.9	9%	0.087	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.3	-176.7	-50.4	180	0	0	0	108.3	G62 S63 L78 R122 Y124	G62-I80 CarbonylContact C-O 3.56Å; G62-I80 VanDerWaalsContact CA-O 3.28Å; G62-I80 WeakPolarHBondContact CA-O 3.43Å; S63-I80 PolarHBondContact N-O 2.86Å; S63-I80 VanDerWaalsContact N-O 3.09Å; S63-I80 PolarHBondContact O-N 3.16Å; L78-I80 HydrophobicContact CD2-CD1 4.17Å; L78-I80 HydrophobicContact CD2-CG1 4.16Å; L78-I80 HydrophobicContact CG-CG1 4.11Å; I80-R122 HydrophobicContact CG2-CB 4.24Å; I80-R122 HydrophobicContact CG2-CG 4.09Å; I80-Y124 HydrophobicContact CB-CD1 4.45Å; I80-Y124 HydrophobicContact CD1-CD1 4.44Å; I80-Y124 HydrophobicContact CD1-CE1 4.27Å; I80-Y124 HydrophobicContact CG1-CD1 3.93Å; I80-Y124 HydrophobicContact CG1-CE1 4.17Å; I80-Y124 HydrophobicContact CG2-CD1 4.13Å; I80-Y124 HydrophobicContact CG2-CE1 3.89Å
81	L	94.7	Very high	91.6	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.1	177.2	-49	173.9	0	0	0	109.7	F61 K79 V95 R122 I123	F61-L81 HydrophobicContact CB-CD2 4.08Å; K79-L81 HydrophobicContact CD-CD2 4.45Å; K79-L81 HydrophobicContact CG-CD2 4.05Å; L81-V95 HydrophobicContact CD1-CB 4.47Å; L81-V95 HydrophobicContact CD1-CG1 3.6Å; L81-V95 HydrophobicContact CD1-CG2 3.98Å; L81-R122 CarbonylContact O-C 3.51Å; L81-R122 VanDerWaalsContact O-CA 3.24Å; L81-R122 WeakPolarHBondContact O-CA 3.43Å; L81-I123 HydrophobicContact CB-CB 4.25Å; L81-I123 HydrophobicContact CD1-CB 4.5Å; L81-I123 HydrophobicContact CD1-CG2 4.47Å; L81-I123 PolarHBondContact N-O 2.86Å; L81-I123 PolarHBondContact O-N 2.92Å
82	L	94	Very high	91.4	Very high	52 Å²	52	57.5 Å²	57.5	27%	0.272	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.8	-179.7	-58.3	-179.5	0	0	0	110	F61 P84 R85 R122	F61-L82 PolarHBondContact O-N 2.9Å; L82-P84 VanDerWaalsContact C-CD 3.43Å; L82-P84 VanDerWaalsContact C-N 3.3Å; L82-R85 HydrophobicContact CB-CB 4.38Å; L82-R85 HydrophobicContact CB-CG 4.09Å; L82-R85 HydrophobicContact CD1-CG 4.46Å; L82-R85 WeakPolarHBondContact O-CB 3.29Å; L82-R85 PolarHBondContact O-N 2.91Å; L82-R122 HydrophobicContact CD2-CG 3.91Å
83	K	93	Very high	91.2	Very high	64 Å²	64	60.1 Å²	60.1	28%	0.278	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-53.9	-39	178.3	-68.4	-179.5	173.1	-175.7	0	113.4	R85 L86 D119 K121 I123	K83-R85 PolarHBondContact O-N 2.78Å; K83-L86 WeakPolarHBondContact O-CB 3.48Å; K83-L86 PolarHBondContact O-N 2.92Å; K83-D119 WeakPolarHBondContact CE-O 3.16Å; K83-D119 PolarHBondContact NZ-O 2.88Å; K83-K121 WeakPolarHBondContact CB-O 3.41Å; K83-K121 PolarHBondContact N-O 2.98Å; K83-I123 HydrophobicContact CG-CG1 4.22Å
84	P	90.4	Very high	90.8	Very high	100 Å²	100	54.5 Å²	54.5	65%	0.649	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62.1	-20.8	175.4	-25.6	36.1	0	0	0	114.9	L82 V87	L82-P84 VanDerWaalsContact C-CD 3.43Å; L82-P84 VanDerWaalsContact C-N 3.3Å; P84-V87 WeakPolarHBondContact O-CG1 3.32Å
85	R	87.6	Confident	90.6	Very high	118 Å²	118	53.8 Å²	53.8	45%	0.445	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-84.1	-12.7	173.8	-66.2	-173.1	176	171.9	1.7	112.6	E58 L82 K83 V87	E58-R85 IonicContact OE1-NH1 3.58Å; L82-R85 HydrophobicContact CB-CB 4.38Å; L82-R85 HydrophobicContact CB-CG 4.09Å; L82-R85 HydrophobicContact CD1-CG 4.46Å; L82-R85 WeakPolarHBondContact O-CB 3.29Å; L82-R85 PolarHBondContact O-N 2.91Å; K83-R85 PolarHBondContact O-N 2.78Å; R85-V87 VanDerWaalsContact C-N 3.31Å; R85-V87 PolarHBondContact O-N 2.87Å
86	L	86.7	Confident	90.4	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.047	28%	0.284	C	S	.	.			trans	-96.1	56.1	179.4	-57.3	174.5	0	0	0	110.3	F61 K83 T88 L91 M92 V95 I123	F61-L86 HydrophobicContact CB-CD2 4.04Å; F61-L86 HydrophobicContact CD1-CD2 3.73Å; F61-L86 HydrophobicContact CD2-CD2 4.18Å; F61-L86 HydrophobicContact CE1-CD2 4.22Å; F61-L86 HydrophobicContact CG-CD2 3.71Å; K83-L86 WeakPolarHBondContact O-CB 3.48Å; K83-L86 PolarHBondContact O-N 2.92Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.86Å; L86-L91 HydrophobicContact CD2-CB 4.29Å; L86-M92 HydrophobicContact CB-CG 4.17Å; L86-M92 HydrophobicContact CB-SD 3.56Å; L86-M92 VanDerWaalsContact CB-SD 3.56Å; L86-M92 HydrophobicContact CD1-SD 3.61Å; L86-M92 HydrophobicContact CG-SD 4.21Å; L86-V95 HydrophobicContact CD1-CG2 3.99Å; L86-V95 HydrophobicContact CD2-CG2 3.85Å; L86-I123 HydrophobicContact CD1-CD1 3.99Å
87	V	82.9	Confident	90	Very high	117 Å²	117	60.6 Å²	60.6	71%	0.709	30%	0.295	S	S	*	.			trans	-68.7	-25.2	-166.9	-63.7	0	0	0	0	114.4	P84 R85 L91	P84-V87 WeakPolarHBondContact O-CG1 3.32Å; R85-V87 VanDerWaalsContact C-N 3.31Å; R85-V87 PolarHBondContact O-N 2.87Å; V87-L91 HydrophobicContact CG2-CD1 4.49Å
88	T	86.5	Confident	89.8	Confident	66 Å²	66	60.6 Å²	60.6	41%	0.405	29%	0.294	S	S	.	.	S	Bend	trans	-105.2	152	-177.7	76.1	0	0	0	0	111.8	L86 E90 L91 M92	L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.86Å; T88-E90 PolarHBondContact O-N 2.88Å; T88-E90 PolarHBondContact OG1-N 3.43Å; T88-L91 PolarHBondContact O-N 3.49Å; T88-L91 WeakPolarHBondContact OG1-CG 3.44Å; T88-L91 PolarHBondContact OG1-N 2.76Å; T88-L91 VanDerWaalsContact OG1-N 3.13Å; T88-M92 PolarHBondContact O-N 3.26Å; T88-M92 VanDerWaalsContact O-N 3.15Å
89	K	85.5	Confident	89.6	Confident	183 Å²	183	61.5 Å²	61.5	80%	0.796	30%	0.299	S	S	*	.	H	α-helix	trans	-57.5	-32.2	171.3	-70	-174.6	179	179.8	0	112.1	M92 K93	K89-M92 PolarHBondContact O-N 2.74Å; K89-K93 WeakPolarHBondContact O-CG 3.45Å; K89-K93 PolarHBondContact O-N 2.87Å
90	E	84.4	Confident	89.5	Confident	99 Å²	99	65.5 Å²	65.5	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-68	-43.9	179	-169.8	58.5	-157.2	0	0	111.8	T88 M92 K93 Q94	T88-E90 PolarHBondContact O-N 2.88Å; T88-E90 PolarHBondContact OG1-N 3.43Å; E90-M92 VanDerWaalsContact C-N 3.33Å; E90-M92 PolarHBondContact O-N 2.9Å; E90-K93 PolarHBondContact O-N 2.85Å; E90-Q94 PolarHBondContact O-N 2.87Å
91	L	86.1	Confident	89.3	Confident	24 Å²	24	64.7 Å²	64.7	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-40.1	175.2	-69.1	178.2	0	0	0	111.8	F61 L86 V87 T88 Q94 V95	F61-L91 HydrophobicContact CE1-CD1 4.06Å; F61-L91 HydrophobicContact CE1-CD2 3.88Å; F61-L91 HydrophobicContact CE1-CG 4.5Å; F61-L91 HydrophobicContact CZ-CD2 3.53Å; L86-L91 HydrophobicContact CD2-CB 4.29Å; V87-L91 HydrophobicContact CG2-CD1 4.49Å; T88-L91 PolarHBondContact O-N 3.49Å; T88-L91 WeakPolarHBondContact OG1-CG 3.44Å; T88-L91 PolarHBondContact OG1-N 2.76Å; T88-L91 VanDerWaalsContact OG1-N 3.13Å; L91-Q94 WeakPolarHBondContact O-CB 3.18Å; L91-Q94 PolarHBondContact O-N 3.09Å; L91-V95 PolarHBondContact O-N 3.38Å; L91-V95 VanDerWaalsContact O-N 3.07Å
92	M	87.7	Confident	89.3	Confident	59 Å²	59	64.6 Å²	64.6	29%	0.291	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-40.6	174.9	-76.6	-60.8	-53.8	0	0	112.6	L86 T88 K89 E90 Q94 V95 Q96 I123	L86-M92 HydrophobicContact CB-CG 4.17Å; L86-M92 HydrophobicContact CB-SD 3.56Å; L86-M92 VanDerWaalsContact CB-SD 3.56Å; L86-M92 HydrophobicContact CD1-SD 3.61Å; L86-M92 HydrophobicContact CG-SD 4.21Å; T88-M92 PolarHBondContact O-N 3.26Å; T88-M92 VanDerWaalsContact O-N 3.15Å; K89-M92 PolarHBondContact O-N 2.74Å; E90-M92 VanDerWaalsContact C-N 3.33Å; E90-M92 PolarHBondContact O-N 2.9Å; M92-Q94 VanDerWaalsContact C-N 3.32Å; M92-V95 PolarHBondContact O-N 2.73Å; M92-Q96 WeakPolarHBondContact O-CG 3.45Å; M92-Q96 PolarHBondContact O-N 3.38Å; M92-I123 HydrophobicContact CE-CD1 4.15Å
93	K	87.4	Confident	89.3	Confident	117 Å²	117	64.1 Å²	64.1	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-37.7	173.6	-77.3	179.3	177.2	-174.4	0	112	K89 E90 Q96 R97	K89-K93 WeakPolarHBondContact O-CG 3.45Å; K89-K93 PolarHBondContact O-N 2.87Å; E90-K93 PolarHBondContact O-N 2.85Å; K93-Q96 PolarHBondContact O-N 3.12Å; K93-R97 WeakPolarHBondContact O-CB 3.4Å; K93-R97 PolarHBondContact O-N 3.2Å
94	Q	86.4	Confident	89.3	Confident	29 Å²	29	67.2 Å²	67.2	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-46.1	175.3	-175.8	177.4	-13.3	0	0	111.2	E90 L91 M92 R97 E98 G193	E90-Q94 PolarHBondContact O-N 2.87Å; L91-Q94 WeakPolarHBondContact O-CB 3.18Å; L91-Q94 PolarHBondContact O-N 3.09Å; M92-Q94 VanDerWaalsContact C-N 3.32Å; Q94-R97 PolarHBondContact O-N 3.27Å; Q94-E98 PolarHBondContact O-N 2.92Å; Q94-G193 VanDerWaalsContact CG-O 3.28Å; Q94-G193 WeakPolarHBondContact CG-O 3.41Å; Q94-G193 PolarHBondContact NE2-O 2.99Å
95	V	89.8	Confident	89.6	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175.9	174.3	0	0	0	0	112.1	L81 L86 L91 M92 R97 E98 I99 I123	L81-V95 HydrophobicContact CD1-CB 4.47Å; L81-V95 HydrophobicContact CD1-CG1 3.6Å; L81-V95 HydrophobicContact CD1-CG2 3.98Å; L86-V95 HydrophobicContact CD1-CG2 3.99Å; L86-V95 HydrophobicContact CD2-CG2 3.85Å; L91-V95 PolarHBondContact O-N 3.38Å; L91-V95 VanDerWaalsContact O-N 3.07Å; M92-V95 PolarHBondContact O-N 2.73Å; V95-R97 VanDerWaalsContact C-N 3.29Å; V95-R97 PolarHBondContact O-N 3.44Å; V95-E98 PolarHBondContact O-N 2.79Å; V95-I99 HydrophobicContact CG1-CD1 4.07Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.49Å; V95-I123 HydrophobicContact CG1-CD1 4.01Å
96	Q	91.4	Very high	90.1	Very high	117 Å²	117	63.5 Å²	63.5	55%	0.547	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-41.9	175.2	-75.2	174.3	-15.3	0	0	111.7	M92 K93 I99 E100	M92-Q96 WeakPolarHBondContact O-CG 3.45Å; M92-Q96 PolarHBondContact O-N 3.38Å; K93-Q96 PolarHBondContact O-N 3.12Å; Q96-I99 PolarHBondContact O-N 2.87Å; Q96-E100 WeakPolarHBondContact O-CB 3.48Å; Q96-E100 PolarHBondContact O-N 3.31Å
97	R	90	Very high	90.6	Very high	61 Å²	61	64.8 Å²	64.8	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-42.6	177.3	-168.5	-173.6	-58.8	148.4	2.4	112.1	K93 Q94 V95 I99 E100 I101 A195	K93-R97 WeakPolarHBondContact O-CB 3.4Å; K93-R97 PolarHBondContact O-N 3.2Å; Q94-R97 PolarHBondContact O-N 3.27Å; V95-R97 VanDerWaalsContact C-N 3.29Å; V95-R97 PolarHBondContact O-N 3.44Å; R97-I99 VanDerWaalsContact C-N 3.33Å; R97-I99 PolarHBondContact O-N 3.5Å; R97-E100 PolarHBondContact O-N 3.24Å; R97-I101 HydrophobicContact CG-CD1 3.71Å; R97-I101 HydrophobicContact CG-CG1 4.27Å; R97-I101 WeakPolarHBondContact O-CB 3.38Å; R97-I101 VanDerWaalsContact O-CG1 3.31Å; R97-I101 WeakPolarHBondContact O-CG1 3.48Å; R97-I101 PolarHBondContact O-N 2.91Å; R97-A195 WeakPolarHBondContact CD-O 3.24Å
98	E	91.9	Very high	91.3	Very high	9 Å²	9	61.6 Å²	61.6	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-47.4	174.2	179.9	-178.6	172.8	0	0	110.8	K79 Q94 V95 Q102 F192	K79-E98 IonicContact NZ-OE1 2.84Å; K79-E98 PolarHBondContact NZ-OE1 2.83Å; K79-E98 IonicContact NZ-OE2 2.73Å; Q94-E98 PolarHBondContact O-N 2.92Å; V95-E98 PolarHBondContact O-N 2.79Å; E98-Q102 VanDerWaalsContact O-CB 3.24Å; E98-Q102 WeakPolarHBondContact O-CB 3.29Å; E98-Q102 PolarHBondContact O-N 2.7Å; E98-F192 HydrophobicContact CG-CB 4.3Å
99	I	93.4	Very high	91.9	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-48.1	177.2	-68.5	169.9	0	0	0	110.9	V95 Q96 R97 S103 M113 Y116 I123 L125	V95-I99 HydrophobicContact CG1-CD1 4.07Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.49Å; Q96-I99 PolarHBondContact O-N 2.87Å; R97-I99 VanDerWaalsContact C-N 3.33Å; R97-I99 PolarHBondContact O-N 3.5Å; I99-S103 WeakPolarHBondContact O-CB 3.21Å; I99-S103 PolarHBondContact O-N 2.94Å; I99-S103 PolarHBondContact O-OG 2.85Å; I99-M113 HydrophobicContact CB-CE 4.36Å; I99-M113 HydrophobicContact CG2-CE 3.93Å; I99-M113 VanDerWaalsContact O-CE 3.23Å; I99-M113 WeakPolarHBondContact O-CE 3.27Å; I99-Y116 HydrophobicContact CD1-CD2 4.16Å; I99-Y116 HydrophobicContact CD1-CG 4.33Å; I99-Y116 HydrophobicContact CG2-CD1 3.48Å; I99-Y116 VanDerWaalsContact CG2-CD1 3.48Å; I99-Y116 HydrophobicContact CG2-CD2 4.26Å; I99-Y116 HydrophobicContact CG2-CE1 3.56Å; I99-Y116 HydrophobicContact CG2-CE2 4.34Å; I99-Y116 HydrophobicContact CG2-CG 3.85Å; I99-I123 HydrophobicContact CD1-CG2 4.26Å; I99-L125 HydrophobicContact CD1-CD2 3.8Å; I99-L125 HydrophobicContact CG1-CD2 3.59Å
100	E	93.3	Very high	92.5	Very high	107 Å²	107	49.8 Å²	49.8	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-51.8	-179.8	-174.4	-178.2	-176.8	0	0	111.3	Q96 R97 S103 H104	Q96-E100 WeakPolarHBondContact O-CB 3.48Å; Q96-E100 PolarHBondContact O-N 3.31Å; R97-E100 PolarHBondContact O-N 3.24Å; E100-S103 PolarHBondContact O-OG 3.46Å; E100-H104 PolarHBondContact O-ND1 2.94Å
101	I	92.4	Very high	93.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-60.2	177.8	-71.6	172.3	0	0	0	110.2	R97 S103 H104 L105 V169 F192 A195 H197	R97-I101 HydrophobicContact CG-CD1 3.71Å; R97-I101 HydrophobicContact CG-CG1 4.27Å; R97-I101 WeakPolarHBondContact O-CB 3.38Å; R97-I101 VanDerWaalsContact O-CG1 3.31Å; R97-I101 WeakPolarHBondContact O-CG1 3.48Å; R97-I101 PolarHBondContact O-N 2.91Å; I101-S103 VanDerWaalsContact C-N 3.26Å; I101-S103 PolarHBondContact O-N 3.31Å; I101-H104 PolarHBondContact O-N 3.37Å; I101-H104 VanDerWaalsContact O-N 3.12Å; I101-L105 HydrophobicContact CG2-CD1 3.73Å; I101-L105 HydrophobicContact CG2-CG 4.35Å; I101-L105 WeakPolarHBondContact O-CG 3.33Å; I101-L105 PolarHBondContact O-N 2.9Å; I101-V169 HydrophobicContact CD1-CG1 4.48Å; I101-V169 HydrophobicContact CG1-CG2 4.26Å; I101-V169 HydrophobicContact CG2-CB 4.44Å; I101-V169 HydrophobicContact CG2-CG1 3.69Å; I101-V169 HydrophobicContact CG2-CG2 3.8Å; I101-F192 HydrophobicContact CG2-CB 4.47Å; I101-F192 HydrophobicContact CG2-CD1 3.74Å; I101-F192 HydrophobicContact CG2-CE1 4.42Å; I101-F192 HydrophobicContact CG2-CG 4.36Å; I101-A195 HydrophobicContact CD1-CB 3.78Å; I101-A195 HydrophobicContact CG2-CB 4.45Å; I101-H197 WeakPolarHBondContact CG1-CE1 3.48Å; I101-H197 WeakPolarHBondContact CG1-ND1 3.37Å
102	Q	94.6	Very high	93.7	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-70.4	-23.1	-167.1	-160.3	176.9	2.2	0	0	112.9	E98 H104 V111 M113 F192	E98-Q102 VanDerWaalsContact O-CB 3.24Å; E98-Q102 WeakPolarHBondContact O-CB 3.29Å; E98-Q102 PolarHBondContact O-N 2.7Å; Q102-H104 VanDerWaalsContact C-N 3.3Å; Q102-H104 PolarHBondContact O-N 3.48Å; Q102-V111 PolarHBondContact NE2-O 2.89Å; Q102-M113 HydrophobicContact CB-CB 4.26Å; Q102-M113 HydrophobicContact CG-CB 3.88Å; Q102-F192 HydrophobicContact CB-CB 4.41Å; Q102-F192 HydrophobicContact CB-CD2 4.44Å; Q102-F192 HydrophobicContact CB-CG 4.48Å; Q102-F192 HydrophobicContact CG-CD2 3.9Å; Q102-F192 HydrophobicContact CG-CE2 4.42Å; Q102-F192 HydrophobicContact CG-CG 4.41Å
103	S	93.9	Very high	94.1	Very high	42 Å²	42	45.8 Å²	45.8	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-68.4	-26.7	175.2	60.7	0	0	0	0	113.6	I99 E100 I101 M113	I99-S103 WeakPolarHBondContact O-CB 3.21Å; I99-S103 PolarHBondContact O-N 2.94Å; I99-S103 PolarHBondContact O-OG 2.85Å; E100-S103 PolarHBondContact O-OG 3.46Å; I101-S103 VanDerWaalsContact C-N 3.26Å; I101-S103 PolarHBondContact O-N 3.31Å; S103-M113 VanDerWaalsContact CB-CE 3.43Å
104	H	94.1	Very high	94.4	Very high	129 Å²	129	41.6 Å²	41.6	60%	0.597	20%	0.195	S	C	*	.	H	α-helix	trans	-95.2	-20.8	-177.1	-66.4	97	0	0	0	113.1	E100 I101 Q102 K106	E100-H104 PolarHBondContact O-ND1 2.94Å; I101-H104 PolarHBondContact O-N 3.37Å; I101-H104 VanDerWaalsContact O-N 3.12Å; Q102-H104 VanDerWaalsContact C-N 3.3Å; Q102-H104 PolarHBondContact O-N 3.48Å; H104-K106 PolarHBondContact O-N 3.11Å
105	L	96.3	Very high	94.8	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	20%	0.201	C	C	.	.			trans	-74.4	122.4	180	-62.3	176.8	0	0	0	111.7	I101 I110 Y163 N167 V169 F192	I101-L105 HydrophobicContact CG2-CD1 3.73Å; I101-L105 HydrophobicContact CG2-CG 4.35Å; I101-L105 WeakPolarHBondContact O-CG 3.33Å; I101-L105 PolarHBondContact O-N 2.9Å; L105-I110 HydrophobicContact CB-CD1 4.44Å; L105-I110 HydrophobicContact CB-CG2 4.31Å; L105-I110 HydrophobicContact CD1-CD1 4.43Å; L105-Y163 HydrophobicContact CB-CE1 4.12Å; L105-Y163 HydrophobicContact CD2-CD1 4.2Å; L105-Y163 HydrophobicContact CD2-CE1 3.63Å; L105-Y163 HydrophobicContact CG-CE1 4.47Å; L105-N167 HydrophobicContact CD2-CB 4.29Å; L105-V169 HydrophobicContact CD2-CG2 4.41Å; L105-F192 HydrophobicContact CD1-CD1 3.84Å; L105-F192 HydrophobicContact CD1-CE1 3.25Å; L105-F192 HydrophobicContact CD1-CE2 4.4Å; L105-F192 HydrophobicContact CD1-CZ 3.6Å
106	K	96.9	Very high	95	Very high	134 Å²	134	47.4 Å²	47.4	58%	0.583	22%	0.222	S	C	*	.			trans	-132.4	89.1	179.2	-65.3	176	-173.2	168.4	0	109.9	H104 Y163	H104-K106 PolarHBondContact O-N 3.11Å; K106-Y163 PolarHBondContact N-OH 3.23Å
107	H	98.2	Very high	95.2	Very high	37 Å²	37	42 Å²	42	17%	0.171	20%	0.197	C	C	.	.			trans	-140.9	143.3	179.4	-173.2	-93.2	0	0	0	110.6	N109 I110 Y163	H107-N109 PolarHBondContact CE1-OD1 3.28Å; H107-N109 PolarHBondContact ND1-N 3.3Å; H107-N109 PolarHBondContact O-N 3.15Å; H107-I110 HydrophobicContact CB-CB 4.17Å; H107-I110 HydrophobicContact CB-CD1 3.78Å; H107-I110 HydrophobicContact CB-CG1 3.92Å; H107-I110 PolarHBondContact O-N 2.88Å; H107-I110 VanDerWaalsContact O-N 3.08Å; H107-Y163 HydrophobicContact CB-CD1 3.76Å; H107-Y163 HydrophobicContact CB-CE1 3.99Å; H107-Y163 HydrophobicContact CB-CG 4.16Å
108	P	97.9	Very high	95.4	Very high	49 Å²	49	45 Å²	45	32%	0.318	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.6	-179.3	-28	36.1	0	0	0	114.2	K188 V309 N310	P108-K188 PolarHBondContact O-NZ 3.25Å; P108-V309 HydrophobicContact CB-CG2 4.44Å; P108-V309 HydrophobicContact CG-CG2 4.19Å; P108-N310 WeakPolarHBondContact CB-OD1 3.45Å
109	N	98.6	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	25.2	179.6	-52	112	0	0	0	113.7	H107 A160 V187 K188 I189 V309	H107-N109 PolarHBondContact CE1-OD1 3.28Å; H107-N109 PolarHBondContact ND1-N 3.3Å; H107-N109 PolarHBondContact O-N 3.15Å; N109-A160 HydrophobicContact CB-CB 3.92Å; N109-V187 VanDerWaalsContact CA-O 3.24Å; N109-V187 WeakPolarHBondContact CA-O 3.42Å; N109-V187 WeakPolarHBondContact CB-O 3.47Å; N109-V187 PolarHBondContact ND2-O 3.27Å; N109-K188 CarbonylContact O-C 3.56Å; N109-K188 WeakPolarHBondContact O-CA 3.31Å; N109-I189 PolarHBondContact O-N 3.46Å; N109-V309 PolarHBondContact ND2-O 2.96Å; N109-V309 WeakPolarHBondContact OD1-CB 3.36Å; N109-V309 PolarHBondContact OD1-O 2.92Å
110	I	98.4	Very high	95.4	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-128.7	133.2	170.8	-63.1	177.8	0	0	0	108.1	L105 H107 R112 A160 Y163 C164 I189 F192	L105-I110 HydrophobicContact CB-CD1 4.44Å; L105-I110 HydrophobicContact CB-CG2 4.31Å; L105-I110 HydrophobicContact CD1-CD1 4.43Å; H107-I110 HydrophobicContact CB-CB 4.17Å; H107-I110 HydrophobicContact CB-CD1 3.78Å; H107-I110 HydrophobicContact CB-CG1 3.92Å; H107-I110 PolarHBondContact O-N 2.88Å; H107-I110 VanDerWaalsContact O-N 3.08Å; I110-R112 PolarHBondContact O-N 3.15Å; I110-R112 VanDerWaalsContact O-N 3.15Å; I110-A160 HydrophobicContact CG1-CB 4.06Å; I110-Y163 HydrophobicContact CD1-CD1 3.72Å; I110-Y163 HydrophobicContact CD1-CE1 4.19Å; I110-C164 VanDerWaalsContact CD1-SG 3.51Å; I110-I189 HydrophobicContact CG1-CB 4.49Å; I110-F192 HydrophobicContact CD1-CZ 4.46Å; I110-F192 HydrophobicContact CG2-CE2 3.69Å; I110-F192 HydrophobicContact CG2-CZ 3.66Å
111	V	97.9	Very high	95.4	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	26%	0.257	C	S	.	.			trans	-62.7	115.9	175.3	175.5	0	0	0	0	109.4	Q102 M113 L127 E128 V130 L180 K188 I189 A190	Q102-V111 PolarHBondContact NE2-O 2.89Å; V111-M113 PolarHBondContact O-N 2.8Å; V111-L127 HydrophobicContact CG1-CB 4.27Å; V111-E128 HydrophobicContact CG1-CB 4.09Å; V111-V130 HydrophobicContact CG2-CG2 3.93Å; V111-L180 HydrophobicContact CG2-CD1 4.03Å; V111-K188 HydrophobicContact CG2-CB 3.88Å; V111-I189 WeakPolarHBondContact CG2-O 3.39Å; V111-I189 PolarHBondContact N-O 3.13Å; V111-A190 HydrophobicContact CB-CB 4.42Å; V111-A190 HydrophobicContact CG2-CB 3.75Å
112	R	97.2	Very high	95.5	Very high	85 Å²	85	58.7 Å²	58.7	32%	0.321	28%	0.276	S	S	.	.			trans	-70.1	130.7	-178.7	-175.6	162.4	178.7	151.2	-5.5	111.2	H38 I110 Y114 L127 E128	H38-R112 PolarHBondContact CD2-NH2 3.18Å; H38-R112 PolarHBondContact NE2-NH2 2.89Å; I110-R112 PolarHBondContact O-N 3.15Å; I110-R112 VanDerWaalsContact O-N 3.15Å; R112-Y114 HydrophobicContact CB-CE1 4.32Å; R112-Y114 HydrophobicContact CG-CD1 3.93Å; R112-Y114 HydrophobicContact CG-CE1 3.93Å; R112-L127 CarbonylContact O-C 3.49Å; R112-L127 WeakPolarHBondContact O-CA 3.38Å; R112-E128 HydrophobicContact CB-CB 4.18Å; R112-E128 PolarHBondContact N-OE2 3.28Å; R112-E128 PolarHBondContact O-N 3.16Å
113	M	96.6	Very high	95.5	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.039	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.5	161.4	-173.1	172.8	79.8	0	0	109	I99 Q102 S103 V111 Y116 L125 V126 L127	I99-M113 HydrophobicContact CB-CE 4.36Å; I99-M113 HydrophobicContact CG2-CE 3.93Å; I99-M113 VanDerWaalsContact O-CE 3.23Å; I99-M113 WeakPolarHBondContact O-CE 3.27Å; Q102-M113 HydrophobicContact CB-CB 4.26Å; Q102-M113 HydrophobicContact CG-CB 3.88Å; S103-M113 VanDerWaalsContact CB-CE 3.43Å; V111-M113 PolarHBondContact O-N 2.8Å; M113-Y116 HydrophobicContact CE-CD1 4.36Å; M113-L125 HydrophobicContact SD-CB 4.2Å; M113-L125 HydrophobicContact SD-CD1 4.44Å; M113-L125 HydrophobicContact SD-CD2 4.32Å; M113-V126 CarbonylContact C-O 3.59Å; M113-L127 HydrophobicContact CB-CD2 3.74Å; M113-L127 HydrophobicContact CG-CD2 3.77Å; M113-L127 HydrophobicContact SD-CD2 4.42Å
114	Y	93.9	Very high	95.6	Very high	29 Å²	29	57.2 Å²	57.2	11%	0.114	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-38	-179.9	-57.6	-66	0	0	0	112.7	F37 F74 I76 R112 V126 E128	F37-Y114 HydrophobicContact CD1-CD1 4.23Å; F37-Y114 HydrophobicContact CD1-CG 4.23Å; F37-Y114 VanDerWaalsContact CE1-CB 3.48Å; F37-Y114 HydrophobicContact CE1-CD1 4.32Å; F37-Y114 HydrophobicContact CE1-CD2 4.38Å; F37-Y114 AromaticContact CE1-CG 3.85Å; F37-Y114 HydrophobicContact CE1-CG 3.85Å; F37-Y114 HydrophobicContact CZ-CG 4.42Å; F74-Y114 HydrophobicContact CE1-CD2 4.35Å; F74-Y114 AromaticContact CE1-CE2 3.63Å; F74-Y114 HydrophobicContact CE1-CE2 3.63Å; F74-Y114 AromaticContact CE1-CZ 3.73Å; F74-Y114 HydrophobicContact CZ-CE2 4.24Å; F74-Y114 AromaticContact CZ-CZ 3.93Å; F74-Y114 WeakPolarHBondContact CZ-OH 3.48Å; I76-Y114 HydrophobicContact CG2-CD2 4.26Å; I76-Y114 HydrophobicContact CG2-CE2 4.22Å; R112-Y114 HydrophobicContact CB-CE1 4.32Å; R112-Y114 HydrophobicContact CG-CD1 3.93Å; R112-Y114 HydrophobicContact CG-CE1 3.93Å; Y114-V126 HydrophobicContact CD2-CG1 4.18Å; Y114-V126 PolarHBondContact N-O 3.34Å; Y114-E128 HydrophobicContact CE2-CB 4.13Å
115	S	93.5	Very high	95.7	Very high	39 Å²	39	51.1 Å²	51.1	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	174.3	-175.7	-166.9	0	0	0	0	110.8	V126	S115-V126 PolarHBondContact N-O 3.24Å; S115-V126 WeakPolarHBondContact O-CB 3.44Å; S115-V126 PolarHBondContact O-N 2.9Å
116	Y	94.9	Very high	95.7	Very high	115 Å²	115	50.9 Å²	50.9	45%	0.451	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.6	167.1	70.1	-82.9	0	0	0	110	I99 M113 Y124	I99-Y116 HydrophobicContact CD1-CD2 4.16Å; I99-Y116 HydrophobicContact CD1-CG 4.33Å; I99-Y116 HydrophobicContact CG2-CD1 3.48Å; I99-Y116 VanDerWaalsContact CG2-CD1 3.48Å; I99-Y116 HydrophobicContact CG2-CD2 4.26Å; I99-Y116 HydrophobicContact CG2-CE1 3.56Å; I99-Y116 HydrophobicContact CG2-CE2 4.34Å; I99-Y116 HydrophobicContact CG2-CG 3.85Å; M113-Y116 HydrophobicContact CE-CD1 4.36Å; Y116-Y124 CarbonylContact C-O 3.59Å; Y116-Y124 WeakPolarHBondContact CA-O 3.38Å; Y116-Y124 WeakPolarHBondContact CB-O 3.24Å
117	F	95.1	Very high	95.7	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	173.4	172.4	60.9	-83.8	0	0	0	110.3	W45 I47 L50 L78 Y124 V126	W45-F117 HydrophobicContact CB-CB 4.3Å; W45-F117 HydrophobicContact CB-CD1 3.72Å; W45-F117 HydrophobicContact CB-CE1 4.22Å; W45-F117 HydrophobicContact CB-CG 4.05Å; W45-F117 HydrophobicContact CE3-CD1 4.45Å; W45-F117 HydrophobicContact CE3-CE1 4.09Å; W45-F117 WeakPolarHBondContact O-CB 3.5Å; I47-F117 HydrophobicContact CB-CE2 4.35Å; I47-F117 HydrophobicContact CD1-CE2 4.5Å; I47-F117 HydrophobicContact CD1-CZ 4.37Å; L50-F117 HydrophobicContact CD1-CE1 4.17Å; L50-F117 HydrophobicContact CD1-CZ 3.87Å; L78-F117 HydrophobicContact CD1-CE1 4.11Å; L78-F117 HydrophobicContact CD1-CZ 4.18Å; F117-Y124 AromaticContact CD2-CD2 3.44Å; F117-Y124 HydrophobicContact CD2-CD2 3.44Å; F117-Y124 VanDerWaalsContact CD2-CD2 3.44Å; F117-Y124 HydrophobicContact CD2-CE2 4.15Å; F117-Y124 AromaticContact CD2-CG 3.85Å; F117-Y124 HydrophobicContact CD2-CG 3.85Å; F117-Y124 HydrophobicContact CE1-CG 4.25Å; F117-Y124 AromaticContact CE2-CD1 3.98Å; F117-Y124 HydrophobicContact CE2-CD1 3.98Å; F117-Y124 AromaticContact CE2-CD2 3.25Å; F117-Y124 HydrophobicContact CE2-CD2 3.25Å; F117-Y124 HydrophobicContact CE2-CE1 4.48Å; F117-Y124 AromaticContact CE2-CE2 3.82Å; F117-Y124 HydrophobicContact CE2-CE2 3.82Å; F117-Y124 AromaticContact CE2-CG 3.33Å; F117-Y124 HydrophobicContact CE2-CG 3.33Å; F117-Y124 HydrophobicContact CG-CD2 4.3Å; F117-Y124 HydrophobicContact CG-CG 4.49Å; F117-Y124 VanDerWaalsContact CZ-CB 3.43Å; F117-Y124 HydrophobicContact CZ-CD1 4.02Å; F117-Y124 AromaticContact CZ-CD2 4Å; F117-Y124 HydrophobicContact CZ-CD2 4Å; F117-Y124 AromaticContact CZ-CG 3.57Å; F117-Y124 HydrophobicContact CZ-CG 3.57Å; F117-Y124 PolarHBondContact N-O 3.38Å; F117-Y124 PolarHBondContact O-N 2.82Å; F117-V126 HydrophobicContact CD1-CG2 3.99Å; F117-V126 HydrophobicContact CE1-CG2 3.66Å
118	Y	94.3	Very high	95.7	Very high	125 Å²	125	45.4 Å²	45.4	49%	0.49	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152	-178.2	60.6	-93	0	0	0	110.9	K44 R122	K44-Y118 VanDerWaalsContact NZ-CE1 3.3Å; K44-Y118 PolarHBondContact NZ-OH 3.27Å; K44-Y118 VanDerWaalsContact NZ-OH 3.16Å; Y118-R122 VanDerWaalsContact CA-O 3.3Å; Y118-R122 WeakPolarHBondContact CA-O 3.49Å; Y118-R122 WeakPolarHBondContact CB-O 3.23Å
119	D	93.3	Very high	95.6	Very high	51 Å²	51	45 Å²	45	27%	0.273	20%	0.204	S	C	.	.			trans	-117.4	-164.6	169.4	65.5	34.2	0	0	0	109.9	K83 K121 R122 Y124	K83-D119 WeakPolarHBondContact CE-O 3.16Å; K83-D119 PolarHBondContact NZ-O 2.88Å; D119-K121 VanDerWaalsContact C-N 3.26Å; D119-K121 PolarHBondContact O-N 2.87Å; D119-K121 WeakPolarHBondContact OD1-CA 3.42Å; D119-K121 PolarHBondContact OD1-N 2.79Å; D119-R122 PolarHBondContact N-O 2.71Å; D119-R122 PolarHBondContact OD1-N 3.46Å; D119-Y124 HydrophobicContact CB-CE2 4.4Å; D119-Y124 VanDerWaalsContact OD2-CE2 3.26Å; D119-Y124 WeakPolarHBondContact OD2-CE2 3.46Å; D119-Y124 PolarHBondContact OD2-OH 3.05Å
120	T	91.8	Very high	95.6	Very high	126 Å²	126	45.4 Å²	45.4	77%	0.773	21%	0.207	S	C	*	.	S	Bend	trans	-66.1	-25.7	179.4	51.1	0	0	0	0	113.6
121	K	93.4	Very high	95.4	Very high	138 Å²	138	47.8 Å²	47.8	60%	0.6	22%	0.223	S	C	*	.	S	Bend	trans	-114	-22.4	-171.2	-62.5	-178.1	-178.5	179.3	0	113.9	K83 D119	K83-K121 WeakPolarHBondContact CB-O 3.41Å; K83-K121 PolarHBondContact N-O 2.98Å; D119-K121 VanDerWaalsContact C-N 3.26Å; D119-K121 PolarHBondContact O-N 2.87Å; D119-K121 WeakPolarHBondContact OD1-CA 3.42Å; D119-K121 PolarHBondContact OD1-N 2.79Å
122	R	95.1	Very high	95.3	Very high	107 Å²	107	52.6 Å²	52.6	40%	0.404	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.5	-165.7	-65.7	164.7	-173.9	145	-0.6	112.8	I80 L81 L82 Y118 D119 Y124	I80-R122 HydrophobicContact CG2-CB 4.24Å; I80-R122 HydrophobicContact CG2-CG 4.09Å; L81-R122 CarbonylContact O-C 3.51Å; L81-R122 VanDerWaalsContact O-CA 3.24Å; L81-R122 WeakPolarHBondContact O-CA 3.43Å; L82-R122 HydrophobicContact CD2-CG 3.91Å; Y118-R122 VanDerWaalsContact CA-O 3.3Å; Y118-R122 WeakPolarHBondContact CA-O 3.49Å; Y118-R122 WeakPolarHBondContact CB-O 3.23Å; D119-R122 PolarHBondContact N-O 2.71Å; D119-R122 PolarHBondContact OD1-N 3.46Å; R122-Y124 HydrophobicContact CB-CD2 4.37Å; R122-Y124 HydrophobicContact CB-CE1 4.31Å; R122-Y124 HydrophobicContact CB-CE2 3.67Å; R122-Y124 WeakPolarHBondContact CD-OH 3.24Å
123	I	95.1	Very high	95.2	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.062	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.3	165.4	-59.3	168.3	0	0	0	106.8	L81 K83 L86 M92 V95 I99 L125	L81-I123 HydrophobicContact CB-CB 4.25Å; L81-I123 HydrophobicContact CD1-CB 4.5Å; L81-I123 HydrophobicContact CD1-CG2 4.47Å; L81-I123 PolarHBondContact N-O 2.86Å; L81-I123 PolarHBondContact O-N 2.92Å; K83-I123 HydrophobicContact CG-CG1 4.22Å; L86-I123 HydrophobicContact CD1-CD1 3.99Å; M92-I123 HydrophobicContact CE-CD1 4.15Å; V95-I123 HydrophobicContact CG1-CD1 4.01Å; I99-I123 HydrophobicContact CD1-CG2 4.26Å; I123-L125 HydrophobicContact CG2-CD2 4.04Å
124	Y	96.1	Very high	95.2	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.4	-176.9	-56.9	-93	0	0	0	109	I47 L78 K79 I80 Y116 F117 D119 R122	I47-Y124 HydrophobicContact CD1-CD1 3.96Å; I47-Y124 HydrophobicContact CD1-CE1 3.53Å; I47-Y124 HydrophobicContact CG1-CE1 4.21Å; L78-Y124 HydrophobicContact CD1-CD1 4.44Å; L78-Y124 HydrophobicContact CD2-CD1 4.08Å; L78-Y124 HydrophobicContact CG-CD1 4.32Å; K79-Y124 CarbonylContact O-C 3.59Å; K79-Y124 WeakPolarHBondContact O-CA 3.18Å; I80-Y124 HydrophobicContact CB-CD1 4.45Å; I80-Y124 HydrophobicContact CD1-CD1 4.44Å; I80-Y124 HydrophobicContact CD1-CE1 4.27Å; I80-Y124 HydrophobicContact CG1-CD1 3.93Å; I80-Y124 HydrophobicContact CG1-CE1 4.17Å; I80-Y124 HydrophobicContact CG2-CD1 4.13Å; I80-Y124 HydrophobicContact CG2-CE1 3.89Å; Y116-Y124 CarbonylContact C-O 3.59Å; Y116-Y124 WeakPolarHBondContact CA-O 3.38Å; Y116-Y124 WeakPolarHBondContact CB-O 3.24Å; F117-Y124 AromaticContact CD2-CD2 3.44Å; F117-Y124 HydrophobicContact CD2-CD2 3.44Å; F117-Y124 VanDerWaalsContact CD2-CD2 3.44Å; F117-Y124 HydrophobicContact CD2-CE2 4.15Å; F117-Y124 AromaticContact CD2-CG 3.85Å; F117-Y124 HydrophobicContact CD2-CG 3.85Å; F117-Y124 HydrophobicContact CE1-CG 4.25Å; F117-Y124 AromaticContact CE2-CD1 3.98Å; F117-Y124 HydrophobicContact CE2-CD1 3.98Å; F117-Y124 AromaticContact CE2-CD2 3.25Å; F117-Y124 HydrophobicContact CE2-CD2 3.25Å; F117-Y124 HydrophobicContact CE2-CE1 4.48Å; F117-Y124 AromaticContact CE2-CE2 3.82Å; F117-Y124 HydrophobicContact CE2-CE2 3.82Å; F117-Y124 AromaticContact CE2-CG 3.33Å; F117-Y124 HydrophobicContact CE2-CG 3.33Å; F117-Y124 HydrophobicContact CG-CD2 4.3Å; F117-Y124 HydrophobicContact CG-CG 4.49Å; F117-Y124 VanDerWaalsContact CZ-CB 3.43Å; F117-Y124 HydrophobicContact CZ-CD1 4.02Å; F117-Y124 AromaticContact CZ-CD2 4Å; F117-Y124 HydrophobicContact CZ-CD2 4Å; F117-Y124 AromaticContact CZ-CG 3.57Å; F117-Y124 HydrophobicContact CZ-CG 3.57Å; F117-Y124 PolarHBondContact N-O 3.38Å; F117-Y124 PolarHBondContact O-N 2.82Å; D119-Y124 HydrophobicContact CB-CE2 4.4Å; D119-Y124 VanDerWaalsContact OD2-CE2 3.26Å; D119-Y124 WeakPolarHBondContact OD2-CE2 3.46Å; D119-Y124 PolarHBondContact OD2-OH 3.05Å; R122-Y124 HydrophobicContact CB-CD2 4.37Å; R122-Y124 HydrophobicContact CB-CE1 4.31Å; R122-Y124 HydrophobicContact CB-CE2 3.67Å; R122-Y124 WeakPolarHBondContact CD-OH 3.24Å
125	L	95.5	Very high	95.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.1	171.3	-43.8	-172.9	0	0	0	108.8	L78 K79 I99 M113 I123 L127	L78-L125 WeakPolarHBondContact CA-O 3.41Å; K79-L125 HydrophobicContact CB-CB 4.15Å; K79-L125 HydrophobicContact CB-CG 4.48Å; K79-L125 HydrophobicContact CD-CD1 4.2Å; K79-L125 PolarHBondContact N-O 3.05Å; K79-L125 PolarHBondContact O-N 2.93Å; I99-L125 HydrophobicContact CD1-CD2 3.8Å; I99-L125 HydrophobicContact CG1-CD2 3.59Å; M113-L125 HydrophobicContact SD-CB 4.2Å; M113-L125 HydrophobicContact SD-CD1 4.44Å; M113-L125 HydrophobicContact SD-CD2 4.32Å; I123-L125 HydrophobicContact CG2-CD2 4.04Å; L125-L127 HydrophobicContact CB-CD2 4.27Å; L125-L127 HydrophobicContact CB-CG 4.32Å
126	V	96	Very high	95.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.1	-179.6	-179.1	0	0	0	0	107.9	F37 W45 I76 L78 M113 Y114 S115 F117	F37-V126 HydrophobicContact CZ-CG1 4.3Å; W45-V126 HydrophobicContact CE3-CG2 3.84Å; W45-V126 HydrophobicContact CH2-CG1 4.21Å; W45-V126 HydrophobicContact CZ3-CB 4.5Å; W45-V126 HydrophobicContact CZ3-CG1 3.82Å; W45-V126 HydrophobicContact CZ3-CG2 3.86Å; I76-V126 HydrophobicContact CB-CG1 4.33Å; I76-V126 HydrophobicContact CD1-CG1 3.71Å; I76-V126 HydrophobicContact CG2-CG1 4.11Å; L78-V126 HydrophobicContact CD1-CG2 4.1Å; M113-V126 CarbonylContact C-O 3.59Å; Y114-V126 HydrophobicContact CD2-CG1 4.18Å; Y114-V126 PolarHBondContact N-O 3.34Å; S115-V126 PolarHBondContact N-O 3.24Å; S115-V126 WeakPolarHBondContact O-CB 3.44Å; S115-V126 PolarHBondContact O-N 2.9Å; F117-V126 HydrophobicContact CD1-CG2 3.99Å; F117-V126 HydrophobicContact CE1-CG2 3.66Å
127	L	96.9	Very high	95.5	Very high	17 Å²	17	49.2 Å²	49.2	9%	0.089	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	156	-170.5	-55.9	175.1	0	0	0	111.5	A77 K79 V111 R112 M113 L125 Y129	A77-L127 HydrophobicContact CB-CB 4.19Å; A77-L127 PolarHBondContact N-O 2.76Å; A77-L127 WeakPolarHBondContact O-CA 3.45Å; A77-L127 WeakPolarHBondContact O-CB 3.49Å; A77-L127 PolarHBondContact O-N 3.38Å; K79-L127 HydrophobicContact CB-CD1 3.98Å; K79-L127 HydrophobicContact CD-CD1 4.44Å; V111-L127 HydrophobicContact CG1-CB 4.27Å; R112-L127 CarbonylContact O-C 3.49Å; R112-L127 WeakPolarHBondContact O-CA 3.38Å; M113-L127 HydrophobicContact CB-CD2 3.74Å; M113-L127 HydrophobicContact CG-CD2 3.77Å; M113-L127 HydrophobicContact SD-CD2 4.42Å; L125-L127 HydrophobicContact CB-CD2 4.27Å; L125-L127 HydrophobicContact CB-CG 4.32Å; L127-Y129 PolarHBondContact O-N 2.83Å
128	E	97.2	Very high	95.6	Very high	39 Å²	39	49.7 Å²	49.7	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	127.8	164.5	177.8	-179.5	-166.7	0	0	110.3	V111 R112 Y114 V130 K188	V111-E128 HydrophobicContact CG1-CB 4.09Å; R112-E128 HydrophobicContact CB-CB 4.18Å; R112-E128 PolarHBondContact N-OE2 3.28Å; R112-E128 PolarHBondContact O-N 3.16Å; Y114-E128 HydrophobicContact CE2-CB 4.13Å; E128-V130 HydrophobicContact CG-CG2 4.18Å; E128-K188 VanDerWaalsContact CD-NZ 3.3Å; E128-K188 WeakPolarHBondContact OE1-CE 3.5Å; E128-K188 IonicContact OE1-NZ 2.87Å; E128-K188 PolarHBondContact OE1-NZ 2.97Å; E128-K188 IonicContact OE2-NZ 3.33Å; E128-K188 PolarHBondContact OE2-NZ 2.84Å; E128-K188 VanDerWaalsContact OE2-NZ 3.13Å
129	Y	97.8	Very high	95.7	Very high	40 Å²	40	44 Å²	44	16%	0.157	22%	0.215	C	C	.	.			trans	-80.4	121.7	170.1	174.4	-120.6	0	0	0	110	L56 L66 V75 L127 P131	L56-Y129 HydrophobicContact CD1-CD2 3.9Å; L56-Y129 HydrophobicContact CD1-CE2 3.91Å; L56-Y129 HydrophobicContact CD2-CE2 4Å; L66-Y129 HydrophobicContact CD1-CD1 3.97Å; L66-Y129 HydrophobicContact CD1-CD2 3.58Å; L66-Y129 HydrophobicContact CD1-CE1 3.94Å; L66-Y129 HydrophobicContact CD1-CE2 3.58Å; L66-Y129 HydrophobicContact CD1-CG 3.78Å; V75-Y129 HydrophobicContact CG1-CD1 3.68Å; V75-Y129 HydrophobicContact CG1-CE1 4.33Å; V75-Y129 HydrophobicContact CG1-CG 4.05Å; L127-Y129 PolarHBondContact O-N 2.83Å; Y129-P131 HydrophobicContact CD1-CB 4.4Å; Y129-P131 HydrophobicContact CE1-CB 3.69Å
130	V	97.5	Very high	95.8	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.055	24%	0.236	C	C	.	.			trans	-109.5	106.7	179.6	-176.6	0	0	0	0	109	V111 E128 R132 G133 L180 L181 K188	V111-V130 HydrophobicContact CG2-CG2 3.93Å; E128-V130 HydrophobicContact CG-CG2 4.18Å; V130-R132 PolarHBondContact O-N 2.86Å; V130-G133 PolarHBondContact O-N 2.51Å; V130-L180 HydrophobicContact CB-CB 3.82Å; V130-L180 HydrophobicContact CB-CD1 3.87Å; V130-L180 HydrophobicContact CG1-CB 3.49Å; V130-L180 VanDerWaalsContact CG1-CB 3.49Å; V130-L180 HydrophobicContact CG1-CD1 4.49Å; V130-L180 HydrophobicContact CG2-CB 4.29Å; V130-L180 HydrophobicContact CG2-CD1 4.11Å; V130-L181 WeakPolarHBondContact CG1-O 3.35Å; V130-K188 HydrophobicContact CG1-CD 4.16Å; V130-K188 HydrophobicContact CG2-CD 3.62Å
131	P	95	Very high	96	Very high	52 Å²	52	48.2 Å²	48.2	34%	0.338	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.9	-156.3	24.8	-32.2	0	0	0	115.9	Y129 G133 V183	Y129-P131 HydrophobicContact CD1-CB 4.4Å; Y129-P131 HydrophobicContact CE1-CB 3.69Å; P131-G133 VanDerWaalsContact C-N 3.33Å; P131-V183 HydrophobicContact CG-CG1 3.3Å
132	R	95.3	Very high	96.1	Very high	107 Å²	107	44.2 Å²	44.2	40%	0.404	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4.3	-179.1	-52.9	-175.5	172.2	-95.6	5.8	113.5	V130 L181 G182 W319	V130-R132 PolarHBondContact O-N 2.86Å; R132-L181 WeakPolarHBondContact CA-O 3.29Å; R132-L181 HydrophobicContact CB-CB 3.73Å; R132-L181 WeakPolarHBondContact CB-O 3.1Å; R132-L181 PolarHBondContact N-O 3.47Å; R132-L181 VanDerWaalsContact N-O 3.07Å; R132-G182 WeakPolarHBondContact CD-O 3.46Å; R132-G182 PolarHBondContact NE-O 3.3Å; R132-W319 VanDerWaalsContact CD-CZ2 3.47Å; R132-W319 HydrophobicContact CG-CH2 4.4Å; R132-W319 VanDerWaalsContact NH1-CD2 3.33Å
133	G	95.5	Very high	96.2	Very high	24 Å²	24	40.9 Å²	40.9	25%	0.247	21%	0.205	C	C	.	.			trans	71.9	-154.9	171.8	0	0	0	0	0	113.2	V130 P131 L180 L181	V130-G133 PolarHBondContact O-N 2.51Å; P131-G133 VanDerWaalsContact C-N 3.33Å; G133-L180 CarbonylContact O-C 3.46Å; G133-L180 WeakPolarHBondContact O-CA 3.04Å; G133-L181 PolarHBondContact O-N 3.24Å
134	E	96.2	Very high	96.3	Very high	48 Å²	48	45.4 Å²	45.4	22%	0.224	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-79.3	142.1	-170.9	-61.7	145	-134	0	0	112.7	S136 K137 I179 L180	E134-S136 WeakPolarHBondContact CB-OG 3.16Å; E134-S136 PolarHBondContact O-N 3.47Å; E134-S136 PolarHBondContact OE2-OG 2.67Å; E134-K137 HydrophobicContact CB-CD 4.48Å; E134-K137 VanDerWaalsContact CD-NZ 3.26Å; E134-K137 PolarHBondContact O-N 3.29Å; E134-K137 IonicContact OE1-NZ 3.73Å; E134-K137 PolarHBondContact OE1-NZ 3.26Å; E134-K137 VanDerWaalsContact OE2-CE 3.24Å; E134-K137 WeakPolarHBondContact OE2-CE 3.34Å; E134-K137 IonicContact OE2-NZ 3.84Å; E134-K137 PolarHBondContact OE2-NZ 3.32Å; E134-I179 CarbonylContact C-O 3.57Å; E134-L180 HydrophobicContact CB-CD2 4.42Å; E134-L180 HydrophobicContact CG-CD2 3.89Å
135	L	97.9	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-30.4	173.2	-176.7	64.5	0	0	0	111.9	K137 E138 I139 F145 Y153 P176 I179 L181 L236 M240	L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.98Å; L135-E138 HydrophobicContact CD1-CB 4.44Å; L135-E138 CarbonylContact O-C 3.57Å; L135-E138 WeakPolarHBondContact O-CA 3.2Å; L135-E138 VanDerWaalsContact O-CB 3.32Å; L135-E138 WeakPolarHBondContact O-CB 3.39Å; L135-E138 PolarHBondContact O-N 3.2Å; L135-I139 HydrophobicContact CG-CD1 4.14Å; L135-I139 HydrophobicContact CG-CG1 4.31Å; L135-I139 WeakPolarHBondContact O-CG1 3.12Å; L135-I139 PolarHBondContact O-N 3.36Å; L135-F145 HydrophobicContact CD1-CE2 3.73Å; L135-F145 HydrophobicContact CD1-CZ 3.93Å; L135-Y153 HydrophobicContact CD1-CD2 4.05Å; L135-Y153 HydrophobicContact CD1-CE2 3.68Å; L135-P176 HydrophobicContact CB-CB 4.32Å; L135-P176 WeakPolarHBondContact CB-O 3.2Å; L135-P176 HydrophobicContact CG-CB 4.45Å; L135-P176 PolarHBondContact N-O 3.05Å; L135-I179 HydrophobicContact CB-CB 3.95Å; L135-I179 HydrophobicContact CB-CG2 4.16Å; L135-I179 WeakPolarHBondContact CB-O 3.36Å; L135-I179 HydrophobicContact CD2-CB 3.97Å; L135-I179 HydrophobicContact CD2-CG1 4.43Å; L135-I179 HydrophobicContact CD2-CG2 3.9Å; L135-I179 PolarHBondContact N-O 2.97Å; L135-L181 HydrophobicContact CD1-CD1 4.16Å; L135-L181 HydrophobicContact CD1-CD2 4.16Å; L135-L181 HydrophobicContact CD1-CG 4.42Å; L135-L236 HydrophobicContact CD2-CD1 4.06Å; L135-M240 HydrophobicContact CD2-SD 4.14Å
136	S	95.3	Very high	96.4	Very high	16 Å²	16	47.5 Å²	47.5	11%	0.112	25%	0.247	C	C	.	.	H	α-helix	trans	-54.8	-47.4	175.4	57.9	0	0	0	0	112.4	E134 E138 I139 N140 P176	E134-S136 WeakPolarHBondContact CB-OG 3.16Å; E134-S136 PolarHBondContact O-N 3.47Å; E134-S136 PolarHBondContact OE2-OG 2.67Å; S136-E138 PolarHBondContact O-N 3.23Å; S136-I139 PolarHBondContact O-N 2.89Å; S136-N140 WeakPolarHBondContact O-CB 3.45Å; S136-N140 VanDerWaalsContact O-CG 3.26Å; S136-N140 PolarHBondContact O-N 2.9Å; S136-N140 PolarHBondContact O-ND2 3.33Å; S136-P176 PolarHBondContact N-O 3.43Å
137	K	95.4	Very high	96.5	Very high	117 Å²	117	50 Å²	50	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-32.7	178.1	-66.9	173	-178.5	152.4	0	111.3	E134 L135 R141	E134-K137 HydrophobicContact CB-CD 4.48Å; E134-K137 VanDerWaalsContact CD-NZ 3.26Å; E134-K137 PolarHBondContact O-N 3.29Å; E134-K137 IonicContact OE1-NZ 3.73Å; E134-K137 PolarHBondContact OE1-NZ 3.26Å; E134-K137 VanDerWaalsContact OE2-CE 3.24Å; E134-K137 WeakPolarHBondContact OE2-CE 3.34Å; E134-K137 IonicContact OE2-NZ 3.84Å; E134-K137 PolarHBondContact OE2-NZ 3.32Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.98Å; K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.22Å; K137-R141 PolarHBondContact O-N 3.36Å
138	E	96.7	Very high	96.6	Very high	13 Å²	13	51.5 Å²	51.5	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-74.3	-43.6	179.4	-168	68.3	-175	0	0	112.2	L135 S136 N140 R141 F142 F145 R149 L181 W319	L135-E138 HydrophobicContact CD1-CB 4.44Å; L135-E138 CarbonylContact O-C 3.57Å; L135-E138 WeakPolarHBondContact O-CA 3.2Å; L135-E138 VanDerWaalsContact O-CB 3.32Å; L135-E138 WeakPolarHBondContact O-CB 3.39Å; L135-E138 PolarHBondContact O-N 3.2Å; S136-E138 PolarHBondContact O-N 3.23Å; E138-N140 VanDerWaalsContact C-N 3.35Å; E138-R141 PolarHBondContact O-N 2.95Å; E138-F142 HydrophobicContact CG-CD2 4.33Å; E138-F142 WeakPolarHBondContact O-CD2 3.35Å; E138-F142 PolarHBondContact O-N 3.11Å; E138-F142 VanDerWaalsContact O-N 3.09Å; E138-F142 WeakPolarHBondContact OE1-CD2 3.19Å; E138-F142 WeakPolarHBondContact OE1-CE2 3.34Å; E138-F145 HydrophobicContact CB-CZ 4.21Å; E138-F145 HydrophobicContact CG-CE1 3.95Å; E138-F145 HydrophobicContact CG-CZ 3.79Å; E138-R149 IonicContact OE1-CZ 3.47Å; E138-R149 IonicContact OE1-NH1 3.78Å; E138-R149 PolarHBondContact OE1-NH1 3.35Å; E138-R149 IonicContact OE1-NH2 3.76Å; E138-R149 PolarHBondContact OE1-NH2 3.22Å; E138-L181 HydrophobicContact CB-CD1 3.66Å; E138-L181 HydrophobicContact CG-CD1 3.62Å; E138-W319 PolarHBondContact OE1-NE1 3.23Å
139	I	96.8	Very high	96.6	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-49.6	171.6	-67.5	171.8	0	0	0	109.2	L135 S136 R141 F142 G143 F145 P176 L236 E239 M240	L135-I139 HydrophobicContact CG-CD1 4.14Å; L135-I139 HydrophobicContact CG-CG1 4.31Å; L135-I139 WeakPolarHBondContact O-CG1 3.12Å; L135-I139 PolarHBondContact O-N 3.36Å; S136-I139 PolarHBondContact O-N 2.89Å; I139-R141 PolarHBondContact O-N 3.01Å; I139-F142 PolarHBondContact O-N 3.47Å; I139-G143 CarbonylContact O-C 3.59Å; I139-G143 WeakPolarHBondContact O-CA 3.42Å; I139-G143 PolarHBondContact O-N 2.97Å; I139-F145 HydrophobicContact CB-CZ 4.37Å; I139-F145 HydrophobicContact CD1-CE2 4.47Å; I139-F145 HydrophobicContact CG1-CE2 3.61Å; I139-F145 HydrophobicContact CG1-CZ 3.58Å; I139-P176 HydrophobicContact CD1-CB 4.02Å; I139-P176 HydrophobicContact CD1-CG 3.88Å; I139-L236 HydrophobicContact CD1-CD1 4.47Å; I139-E239 HydrophobicContact CD1-CG 4.31Å; I139-E239 HydrophobicContact CG2-CG 4.5Å; I139-M240 HydrophobicContact CD1-CG 4.04Å
140	N	95.2	Very high	96.7	Very high	133 Å²	133	47.8 Å²	47.8	71%	0.711	26%	0.257	S	S	*	.	H	α-helix	trans	-58.6	-35	177.7	-72.8	-28.7	0	0	0	113.3	S136 E138	S136-N140 WeakPolarHBondContact O-CB 3.45Å; S136-N140 VanDerWaalsContact O-CG 3.26Å; S136-N140 PolarHBondContact O-N 2.9Å; S136-N140 PolarHBondContact O-ND2 3.33Å; E138-N140 VanDerWaalsContact C-N 3.35Å
141	R	95.6	Very high	96.7	Very high	134 Å²	134	47.4 Å²	47.4	51%	0.506	25%	0.254	S	S	.	.	H	α-helix	trans	-71.8	-40.2	-179.7	178.4	-179.2	179.2	-171.7	2	112.6	K137 E138 I139	K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.22Å; K137-R141 PolarHBondContact O-N 3.36Å; E138-R141 PolarHBondContact O-N 2.95Å; I139-R141 PolarHBondContact O-N 3.01Å
142	F	96.5	Very high	96.9	Very high	54 Å²	54	44.9 Å²	44.9	24%	0.237	24%	0.238	C	C	.	.	H	α-helix	trans	-95.4	-13.3	-176.3	-77.5	-95	0	0	0	113.1	E138 I139 H144 F145 D318 V322	E138-F142 HydrophobicContact CG-CD2 4.33Å; E138-F142 WeakPolarHBondContact O-CD2 3.35Å; E138-F142 PolarHBondContact O-N 3.11Å; E138-F142 VanDerWaalsContact O-N 3.09Å; E138-F142 WeakPolarHBondContact OE1-CD2 3.19Å; E138-F142 WeakPolarHBondContact OE1-CE2 3.34Å; I139-F142 PolarHBondContact O-N 3.47Å; F142-H144 PolarHBondContact O-N 2.93Å; F142-F145 HydrophobicContact CB-CD1 4.14Å; F142-F145 HydrophobicContact CB-CE1 4Å; F142-F145 HydrophobicContact CD2-CE1 4.37Å; F142-F145 HydrophobicContact CG-CE1 4.33Å; F142-D318 HydrophobicContact CE1-CB 3.69Å; F142-D318 HydrophobicContact CZ-CB 3.88Å; F142-V322 HydrophobicContact CE1-CG2 3.65Å; F142-V322 HydrophobicContact CZ-CG2 3.67Å
143	G	96.5	Very high	97.1	Very high	37 Å²	37	39.8 Å²	39.8	38%	0.381	22%	0.219	S	C	.	.	S	Bend	trans	79.4	-60	-169.7	0	0	0	0	0	110.8	I139 G243	I139-G143 CarbonylContact O-C 3.59Å; I139-G143 WeakPolarHBondContact O-CA 3.42Å; I139-G143 PolarHBondContact O-N 2.97Å; G143-G243 WeakPolarHBondContact O-CA 3.25Å
144	H	96.6	Very high	97.2	Very high	107 Å²	107	38.7 Å²	38.7	50%	0.495	21%	0.207	S	C	.	.	S	Bend	trans	-150.9	172.1	172.6	67	88.8	0	0	0	109.8	F142	F142-H144 PolarHBondContact O-N 2.93Å
145	F	97.9	Very high	97.3	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.013	20%	0.201	C	C	.	.			trans	-105.6	155.5	177.1	-55	-38.2	0	0	0	111.4	L135 E138 I139 F142 R149 A150 Y153 M240	L135-F145 HydrophobicContact CD1-CE2 3.73Å; L135-F145 HydrophobicContact CD1-CZ 3.93Å; E138-F145 HydrophobicContact CB-CZ 4.21Å; E138-F145 HydrophobicContact CG-CE1 3.95Å; E138-F145 HydrophobicContact CG-CZ 3.79Å; I139-F145 HydrophobicContact CB-CZ 4.37Å; I139-F145 HydrophobicContact CD1-CE2 4.47Å; I139-F145 HydrophobicContact CG1-CE2 3.61Å; I139-F145 HydrophobicContact CG1-CZ 3.58Å; F142-F145 HydrophobicContact CB-CD1 4.14Å; F142-F145 HydrophobicContact CB-CE1 4Å; F142-F145 HydrophobicContact CD2-CE1 4.37Å; F142-F145 HydrophobicContact CG-CE1 4.33Å; F145-R149 HydrophobicContact CB-CB 4.25Å; F145-R149 HydrophobicContact CB-CG 4.29Å; F145-R149 HydrophobicContact CD2-CG 4.47Å; F145-R149 HydrophobicContact CG-CG 4.25Å; F145-A150 HydrophobicContact CB-CB 4.43Å; F145-Y153 HydrophobicContact CD2-CD2 4.39Å; F145-Y153 HydrophobicContact CD2-CE2 4.36Å; F145-Y153 HydrophobicContact CE2-CD2 4.27Å; F145-Y153 HydrophobicContact CE2-CE2 4.04Å; F145-M240 HydrophobicContact CD2-CB 3.88Å; F145-M240 HydrophobicContact CD2-CG 3.88Å; F145-M240 HydrophobicContact CD2-SD 4.24Å; F145-M240 HydrophobicContact CE2-CB 4.4Å; F145-M240 HydrophobicContact CE2-CG 3.93Å; F145-M240 HydrophobicContact CE2-SD 4.31Å; F145-M240 PolarHBondContact N-O 3.39Å
146	G	97.3	Very high	97.4	Very high	44 Å²	44	37.7 Å²	37.7	45%	0.454	20%	0.201	S	C	.	.			trans	-73.6	162.1	167	0	0	0	0	0	112.1	S148 R149 A150	G146-S148 VanDerWaalsContact C-N 3.27Å; G146-S148 PolarHBondContact O-N 2.88Å; G146-R149 PolarHBondContact O-N 2.96Å; G146-A150 PolarHBondContact O-N 3.32Å; G146-A150 VanDerWaalsContact O-N 3.08Å
147	D	98.1	Very high	97.5	Very high	52 Å²	52	36.9 Å²	36.9	28%	0.278	20%	0.196	S	C	.	.	H	α-helix	trans	-52.6	-41.8	-176.3	-68.5	-90.2	0	0	0	113.1	R149 A150 A151 N271 W300 N304	D147-R149 PolarHBondContact O-N 3Å; D147-A150 PolarHBondContact O-N 3.04Å; D147-A151 WeakPolarHBondContact O-CB 3.43Å; D147-A151 PolarHBondContact O-N 3.11Å; D147-N271 VanDerWaalsContact OD1-CB 3.22Å; D147-N271 WeakPolarHBondContact OD1-CB 3.17Å; D147-N271 PolarHBondContact OD1-ND2 3.18Å; D147-W300 PolarHBondContact OD1-NE1 3.1Å; D147-N304 HydrophobicContact CB-CB 4.21Å
148	S	98.1	Very high	97.7	Very high	48 Å²	48	31.4 Å²	31.4	34%	0.336	17%	0.172	S	C	.	.	H	α-helix	trans	-62.2	-45.1	-176.8	-174.5	0	0	0	0	113.1	G146 T152 N304	G146-S148 VanDerWaalsContact C-N 3.27Å; G146-S148 PolarHBondContact O-N 2.88Å; S148-T152 WeakPolarHBondContact O-CB 3.32Å; S148-T152 PolarHBondContact O-N 3.39Å; S148-T152 VanDerWaalsContact O-N 3.1Å; S148-T152 PolarHBondContact O-OG1 3.44Å; S148-N304 VanDerWaalsContact CA-O 3.32Å; S148-N304 WeakPolarHBondContact CA-O 3.5Å; S148-N304 PolarHBondContact OG-O 3.18Å; S148-N304 VanDerWaalsContact OG-O 3.13Å
149	R	98.2	Very high	97.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-49.4	177.9	-178.6	171.2	-171.2	179.9	3	111.3	E138 F145 G146 D147 A151 T152 Y153 A314 A315 D318	E138-R149 IonicContact OE1-CZ 3.47Å; E138-R149 IonicContact OE1-NH1 3.78Å; E138-R149 PolarHBondContact OE1-NH1 3.35Å; E138-R149 IonicContact OE1-NH2 3.76Å; E138-R149 PolarHBondContact OE1-NH2 3.22Å; F145-R149 HydrophobicContact CB-CB 4.25Å; F145-R149 HydrophobicContact CB-CG 4.29Å; F145-R149 HydrophobicContact CD2-CG 4.47Å; F145-R149 HydrophobicContact CG-CG 4.25Å; G146-R149 PolarHBondContact O-N 2.96Å; D147-R149 PolarHBondContact O-N 3Å; R149-A151 PolarHBondContact O-N 3.47Å; R149-T152 PolarHBondContact O-N 2.9Å; R149-Y153 HydrophobicContact CG-CD2 4.28Å; R149-Y153 HydrophobicContact CG-CE1 4.28Å; R149-Y153 HydrophobicContact CG-CE2 3.86Å; R149-Y153 PolarHBondContact NE-OH 3.4Å; R149-Y153 VanDerWaalsContact NE-OH 3.11Å; R149-Y153 PolarHBondContact NH2-OH 3.16Å; R149-Y153 PolarHBondContact O-N 2.77Å; R149-A314 HydrophobicContact CB-CB 3.86Å; R149-A315 HydrophobicContact CG-CB 4.26Å; R149-D318 WeakPolarHBondContact CD-OD2 3.26Å; R149-D318 IonicContact CZ-OD2 2.58Å; R149-D318 IonicContact NE-OD2 3.87Å; R149-D318 IonicContact NH1-OD2 3.73Å; R149-D318 PolarHBondContact NH1-OD2 2.58Å
150	A	98.5	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-47.2	179.8	0	0	0	0	0	111.6	F145 G146 D147 T152 Y153 V154 M240 L241 W300	F145-A150 HydrophobicContact CB-CB 4.43Å; G146-A150 PolarHBondContact O-N 3.32Å; G146-A150 VanDerWaalsContact O-N 3.08Å; D147-A150 PolarHBondContact O-N 3.04Å; A150-T152 VanDerWaalsContact C-N 3.33Å; A150-T152 PolarHBondContact O-N 3.49Å; A150-Y153 PolarHBondContact O-N 2.93Å; A150-V154 VanDerWaalsContact O-CG2 3.3Å; A150-V154 WeakPolarHBondContact O-CG2 3.09Å; A150-V154 PolarHBondContact O-N 3.01Å; A150-M240 HydrophobicContact CB-CB 4.32Å; A150-L241 HydrophobicContact CB-CD2 3.58Å; A150-L241 HydrophobicContact CB-CG 3.93Å; A150-W300 HydrophobicContact CB-CH2 4.09Å; A150-W300 HydrophobicContact CB-CZ2 4.17Å
151	A	98.6	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-40.1	178.2	0	0	0	0	0	112.1	D147 R149 V154 Y155 W300 I301 N304 A305	D147-A151 WeakPolarHBondContact O-CB 3.43Å; D147-A151 PolarHBondContact O-N 3.11Å; R149-A151 PolarHBondContact O-N 3.47Å; A151-V154 PolarHBondContact O-N 2.75Å; A151-Y155 WeakPolarHBondContact O-CB 3.39Å; A151-Y155 PolarHBondContact O-N 2.95Å; A151-W300 VanDerWaalsContact CA-CH2 3.43Å; A151-W300 HydrophobicContact CB-CD2 4.33Å; A151-W300 HydrophobicContact CB-CE3 4.24Å; A151-W300 HydrophobicContact CB-CH2 3.73Å; A151-W300 HydrophobicContact CB-CZ2 3.77Å; A151-W300 HydrophobicContact CB-CZ3 3.97Å; A151-I301 HydrophobicContact CB-CD1 4.12Å; A151-N304 HydrophobicContact CB-CB 3.66Å; A151-A305 HydrophobicContact CB-CB 4.06Å
152	T	98.6	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.5	-40.9	175.7	-60	0	0	0	0	111.6	S148 R149 A150 Y155 Q156 A305 E306 C312	S148-T152 WeakPolarHBondContact O-CB 3.32Å; S148-T152 PolarHBondContact O-N 3.39Å; S148-T152 VanDerWaalsContact O-N 3.1Å; S148-T152 PolarHBondContact O-OG1 3.44Å; R149-T152 PolarHBondContact O-N 2.9Å; A150-T152 VanDerWaalsContact C-N 3.33Å; A150-T152 PolarHBondContact O-N 3.49Å; T152-Y155 PolarHBondContact O-N 3.1Å; T152-Q156 VanDerWaalsContact O-CG 3.3Å; T152-Q156 WeakPolarHBondContact O-CG 3.13Å; T152-Q156 PolarHBondContact O-N 3.47Å; T152-A305 WeakPolarHBondContact OG1-CA 3.3Å; T152-E306 HydrophobicContact CG2-CB 4.26Å; T152-E306 PolarHBondContact OG1-N 3.06Å; T152-E306 VanDerWaalsContact OG1-N 3.1Å; T152-C312 HydrophobicContact CG2-CB 3.77Å
153	Y	98.7	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-44.3	175	-71	-3.1	0	0	0	112.1	L135 F145 R149 A150 Y155 Q156 L157 L181 G185 V187 M240 C312 A315	L135-Y153 HydrophobicContact CD1-CD2 4.05Å; L135-Y153 HydrophobicContact CD1-CE2 3.68Å; F145-Y153 HydrophobicContact CD2-CD2 4.39Å; F145-Y153 HydrophobicContact CD2-CE2 4.36Å; F145-Y153 HydrophobicContact CE2-CD2 4.27Å; F145-Y153 HydrophobicContact CE2-CE2 4.04Å; R149-Y153 HydrophobicContact CG-CD2 4.28Å; R149-Y153 HydrophobicContact CG-CE1 4.28Å; R149-Y153 HydrophobicContact CG-CE2 3.86Å; R149-Y153 PolarHBondContact NE-OH 3.4Å; R149-Y153 VanDerWaalsContact NE-OH 3.11Å; R149-Y153 PolarHBondContact NH2-OH 3.16Å; R149-Y153 PolarHBondContact O-N 2.77Å; A150-Y153 PolarHBondContact O-N 2.93Å; Y153-Y155 VanDerWaalsContact C-N 3.32Å; Y153-Y155 PolarHBondContact O-N 3.19Å; Y153-Q156 PolarHBondContact O-N 2.81Å; Y153-L157 WeakPolarHBondContact O-CB 3.48Å; Y153-L157 VanDerWaalsContact O-CG 3.25Å; Y153-L157 WeakPolarHBondContact O-CG 3.46Å; Y153-L157 PolarHBondContact O-N 3.2Å; Y153-L181 HydrophobicContact CE1-CD2 4.4Å; Y153-L181 HydrophobicContact CE2-CD2 4.12Å; Y153-L181 WeakPolarHBondContact OH-CD2 3.32Å; Y153-G185 WeakPolarHBondContact CE1-O 3.47Å; Y153-G185 PolarHBondContact OH-O 3.2Å; Y153-V187 HydrophobicContact CD1-CG1 3.41Å; Y153-V187 VanDerWaalsContact CD1-CG1 3.41Å; Y153-V187 HydrophobicContact CD2-CG1 3.88Å; Y153-V187 HydrophobicContact CE1-CG1 3.73Å; Y153-V187 HydrophobicContact CE2-CG1 4.18Å; Y153-V187 HydrophobicContact CG-CG1 3.47Å; Y153-V187 VanDerWaalsContact CG-CG1 3.47Å; Y153-M240 HydrophobicContact CD2-SD 3.79Å; Y153-M240 HydrophobicContact CG-SD 4.39Å; Y153-C312 HydrophobicContact CD1-CB 4.34Å; Y153-C312 HydrophobicContact CE1-CB 3.78Å; Y153-A315 HydrophobicContact CE1-CB 4.27Å; Y153-A315 WeakPolarHBondContact OH-CB 3.49Å
154	V	98.7	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-43.6	175.8	173.5	0	0	0	0	111.2	A150 A151 L157 S158 T237 M240 L277 I295 W300 I301	A150-V154 VanDerWaalsContact O-CG2 3.3Å; A150-V154 WeakPolarHBondContact O-CG2 3.09Å; A150-V154 PolarHBondContact O-N 3.01Å; A151-V154 PolarHBondContact O-N 2.75Å; V154-L157 PolarHBondContact O-N 3.4Å; V154-S158 WeakPolarHBondContact O-CB 3.2Å; V154-S158 PolarHBondContact O-N 2.72Å; V154-T237 HydrophobicContact CG2-CG2 3.74Å; V154-T237 WeakPolarHBondContact CG2-OG1 3.32Å; V154-M240 HydrophobicContact CG2-CE 3.69Å; V154-L277 HydrophobicContact CG1-CD2 4.24Å; V154-I295 HydrophobicContact CG1-CG2 3.89Å; V154-W300 HydrophobicContact CB-CZ3 4.41Å; V154-W300 HydrophobicContact CG2-CH2 4.36Å; V154-W300 HydrophobicContact CG2-CZ3 4.23Å; V154-I301 HydrophobicContact CB-CD1 4.05Å; V154-I301 HydrophobicContact CG1-CD1 3.85Å
155	Y	98.6	Very high	98.1	Very high	27 Å²	27	15.1 Å²	15.1	11%	0.106	9%	0.087	C	C	.	.	H	α-helix	trans	-59.2	-49.3	173.7	171	-99.7	0	0	0	111.9	A151 T152 Y153 L157 S158 K159 D296 F307 V309	A151-Y155 WeakPolarHBondContact O-CB 3.39Å; A151-Y155 PolarHBondContact O-N 2.95Å; T152-Y155 PolarHBondContact O-N 3.1Å; Y153-Y155 VanDerWaalsContact C-N 3.32Å; Y153-Y155 PolarHBondContact O-N 3.19Å; Y155-L157 PolarHBondContact O-N 3.12Å; Y155-S158 PolarHBondContact O-N 2.75Å; Y155-S158 PolarHBondContact O-OG 2.49Å; Y155-K159 HydrophobicContact CE1-CG 4.45Å; Y155-K159 HydrophobicContact CE2-CD 4.45Å; Y155-K159 HydrophobicContact CE2-CG 4.3Å; Y155-K159 WeakPolarHBondContact O-CG 3.39Å; Y155-K159 PolarHBondContact O-N 2.88Å; Y155-K159 VanDerWaalsContact O-N 3.12Å; Y155-D296 WeakPolarHBondContact CD2-OD1 3.46Å; Y155-D296 VanDerWaalsContact CE2-OD2 3.3Å; Y155-D296 WeakPolarHBondContact CE2-OD2 3.48Å; Y155-F307 HydrophobicContact CD2-CD1 4.05Å; Y155-F307 HydrophobicContact CD2-CE1 4.24Å; Y155-F307 VanDerWaalsContact CE1-C 3.41Å; Y155-F307 AromaticContact CE2-CD1 3.57Å; Y155-F307 HydrophobicContact CE2-CD1 3.57Å; Y155-F307 HydrophobicContact CE2-CE1 4.05Å; Y155-F307 AromaticContact CZ-CD1 3.95Å; Y155-F307 PolarHBondContact OH-O 3.28Å; Y155-V309 HydrophobicContact CE1-CG1 4.1Å
156	Q	98.7	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-42.3	-179.8	-72.8	176.9	-3	0	0	112.6	T152 Y153 K159 A160 V187 S308 Q311	T152-Q156 VanDerWaalsContact O-CG 3.3Å; T152-Q156 WeakPolarHBondContact O-CG 3.13Å; T152-Q156 PolarHBondContact O-N 3.47Å; Y153-Q156 PolarHBondContact O-N 2.81Å; Q156-K159 PolarHBondContact O-N 3.42Å; Q156-A160 PolarHBondContact O-N 3.13Å; Q156-V187 HydrophobicContact CB-CG2 3.44Å; Q156-V187 VanDerWaalsContact CB-CG2 3.44Å; Q156-V187 HydrophobicContact CG-CG2 4.45Å; Q156-S308 WeakPolarHBondContact CG-O 3.22Å; Q156-S308 PolarHBondContact NE2-O 2.89Å; Q156-Q311 PolarHBondContact NE2-O 3.28Å
157	L	98.7	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.1	-38.8	177	-68.1	170.4	0	0	0	111.5	Y153 V154 Y155 K159 A160 L161 I179 V187 I189 L233 L236	Y153-L157 WeakPolarHBondContact O-CB 3.48Å; Y153-L157 VanDerWaalsContact O-CG 3.25Å; Y153-L157 WeakPolarHBondContact O-CG 3.46Å; Y153-L157 PolarHBondContact O-N 3.2Å; V154-L157 PolarHBondContact O-N 3.4Å; Y155-L157 PolarHBondContact O-N 3.12Å; L157-K159 VanDerWaalsContact C-N 3.31Å; L157-K159 PolarHBondContact O-N 3.21Å; L157-A160 PolarHBondContact O-N 3.46Å; L157-L161 WeakPolarHBondContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.39Å; L157-L161 PolarHBondContact O-N 3.39Å; L157-I179 HydrophobicContact CD2-CD1 3.6Å; L157-I179 HydrophobicContact CD2-CG1 4.21Å; L157-I179 HydrophobicContact CD2-CG2 4.25Å; L157-V187 HydrophobicContact CD2-CB 4.34Å; L157-V187 HydrophobicContact CD2-CG2 3.76Å; L157-V187 HydrophobicContact CG-CG2 3.78Å; L157-I189 HydrophobicContact CD2-CD1 4.27Å; L157-I189 HydrophobicContact CD2-CG1 3.81Å; L157-L233 HydrophobicContact CB-CD1 3.82Å; L157-L233 HydrophobicContact CD1-CD1 3.86Å; L157-L236 HydrophobicContact CD1-CD2 3.61Å
158	S	98.5	Very high	97.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-40	176.6	78.9	0	0	0	0	111.5	V154 Y155 S162	V154-S158 WeakPolarHBondContact O-CB 3.2Å; V154-S158 PolarHBondContact O-N 2.72Å; Y155-S158 PolarHBondContact O-N 2.75Å; Y155-S158 PolarHBondContact O-OG 2.49Å; S158-S162 WeakPolarHBondContact O-CB 3.3Å; S158-S162 PolarHBondContact O-N 3.41Å
159	K	98.4	Very high	97.3	Very high	51 Å²	51	22.2 Å²	22.2	22%	0.222	11%	0.107	C	C	.	.	H	α-helix	trans	-65.4	-45.3	174.1	-62.4	-47.6	177.4	-173	0	112.7	Y155 Q156 L157 S162 Y163 D296 V309	Y155-K159 HydrophobicContact CE1-CG 4.45Å; Y155-K159 HydrophobicContact CE2-CD 4.45Å; Y155-K159 HydrophobicContact CE2-CG 4.3Å; Y155-K159 WeakPolarHBondContact O-CG 3.39Å; Y155-K159 PolarHBondContact O-N 2.88Å; Y155-K159 VanDerWaalsContact O-N 3.12Å; Q156-K159 PolarHBondContact O-N 3.42Å; L157-K159 VanDerWaalsContact C-N 3.31Å; L157-K159 PolarHBondContact O-N 3.21Å; K159-S162 PolarHBondContact O-N 2.85Å; K159-Y163 WeakPolarHBondContact O-CB 3.47Å; K159-Y163 PolarHBondContact O-N 3.15Å; K159-D296 WeakPolarHBondContact CE-OD2 3.35Å; K159-D296 IonicContact NZ-OD1 3.38Å; K159-D296 IonicContact NZ-OD2 3.09Å; K159-D296 PolarHBondContact NZ-OD2 3.22Å; K159-V309 HydrophobicContact CB-CG1 4.23Å; K159-V309 HydrophobicContact CG-CG1 4.08Å
160	A	98.4	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-46.8	177.5	0	0	0	0	0	112.2	N109 I110 Q156 L157 Y163 C164 I189	N109-A160 HydrophobicContact CB-CB 3.92Å; I110-A160 HydrophobicContact CG1-CB 4.06Å; Q156-A160 PolarHBondContact O-N 3.13Å; L157-A160 PolarHBondContact O-N 3.46Å; A160-Y163 WeakPolarHBondContact O-CB 3.39Å; A160-Y163 PolarHBondContact O-N 3.25Å; A160-C164 PolarHBondContact O-N 3.06Å; A160-C164 PolarHBondContact O-SG 2.93Å; A160-C164 VanDerWaalsContact O-SG 3.39Å; A160-I189 HydrophobicContact CB-CD1 3.53Å; A160-I189 HydrophobicContact CB-CG1 4.15Å
161	L	98.2	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.7	-40.5	178.9	-72.2	172.7	0	0	0	111.8	L157 Y163 C164 H165 H171 I174 I189 D229 L233 L292	L157-L161 WeakPolarHBondContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.39Å; L157-L161 PolarHBondContact O-N 3.39Å; L161-Y163 VanDerWaalsContact C-N 3.28Å; L161-Y163 PolarHBondContact O-N 2.97Å; L161-C164 WeakPolarHBondContact O-CB 3.39Å; L161-C164 PolarHBondContact O-N 2.78Å; L161-C164 VanDerWaalsContact O-N 3.13Å; L161-H165 PolarHBondContact O-CD2 3.42Å; L161-H165 PolarHBondContact O-N 3.39Å; L161-H171 HydrophobicContact CD2-CB 4.3Å; L161-I174 HydrophobicContact CD1-CG1 4.48Å; L161-I174 HydrophobicContact CD2-CD1 3.8Å; L161-I174 HydrophobicContact CD2-CG1 4.01Å; L161-I189 HydrophobicContact CD2-CD1 3.91Å; L161-I189 HydrophobicContact CG-CD1 3.98Å; L161-D229 HydrophobicContact CD1-CB 4.22Å; L161-D229 HydrophobicContact CD2-CB 3.95Å; L161-L233 HydrophobicContact CD1-CB 4.41Å; L161-L233 HydrophobicContact CD1-CD2 4.28Å; L161-L292 HydrophobicContact CB-CD1 3.43Å; L161-L292 VanDerWaalsContact CB-CD1 3.43Å; L161-L292 HydrophobicContact CB-CD2 4.24Å; L161-L292 HydrophobicContact CB-CG 4.49Å; L161-L292 HydrophobicContact CD1-CD2 4.32Å
162	S	97.6	Very high	96.3	Very high	10 Å²	10	24.7 Å²	24.7	7%	0.07	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-41	175.7	-176.9	0	0	0	0	110.5	S158 K159 H165 Q166 N293	S158-S162 WeakPolarHBondContact O-CB 3.3Å; S158-S162 PolarHBondContact O-N 3.41Å; K159-S162 PolarHBondContact O-N 2.85Å; S162-H165 PolarHBondContact O-N 3.26Å; S162-Q166 WeakPolarHBondContact O-CB 3.37Å; S162-Q166 WeakPolarHBondContact O-CG 3.46Å; S162-Q166 PolarHBondContact O-N 2.83Å; S162-Q166 PolarHBondContact OG-NE2 3.12Å; S162-Q166 VanDerWaalsContact OG-NE2 3.1Å; S162-N293 PolarHBondContact OG-OD1 3.12Å
163	Y	97.8	Very high	96	Very high	49 Å²	49	25.4 Å²	25.4	19%	0.192	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-44.7	172.6	174.3	-96.3	0	0	0	112.6	L105 K106 H107 I110 K159 A160 L161 H165 Q166 N167	L105-Y163 HydrophobicContact CB-CE1 4.12Å; L105-Y163 HydrophobicContact CD2-CD1 4.2Å; L105-Y163 HydrophobicContact CD2-CE1 3.63Å; L105-Y163 HydrophobicContact CG-CE1 4.47Å; K106-Y163 PolarHBondContact N-OH 3.23Å; H107-Y163 HydrophobicContact CB-CD1 3.76Å; H107-Y163 HydrophobicContact CB-CE1 3.99Å; H107-Y163 HydrophobicContact CB-CG 4.16Å; I110-Y163 HydrophobicContact CD1-CD1 3.72Å; I110-Y163 HydrophobicContact CD1-CE1 4.19Å; K159-Y163 WeakPolarHBondContact O-CB 3.47Å; K159-Y163 PolarHBondContact O-N 3.15Å; A160-Y163 WeakPolarHBondContact O-CB 3.39Å; A160-Y163 PolarHBondContact O-N 3.25Å; L161-Y163 VanDerWaalsContact C-N 3.28Å; L161-Y163 PolarHBondContact O-N 2.97Å; Y163-H165 PolarHBondContact O-N 3.31Å; Y163-Q166 PolarHBondContact O-N 2.81Å; Y163-N167 PolarHBondContact O-N 3.13Å; Y163-N167 PolarHBondContact O-ND2 3.18Å
164	C	97	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.8	-48.7	173.9	-70.6	0	0	0	0	111.4	I110 A160 L161 Q166 N167 D168 V169	I110-C164 VanDerWaalsContact CD1-SG 3.51Å; A160-C164 PolarHBondContact O-N 3.06Å; A160-C164 PolarHBondContact O-SG 2.93Å; A160-C164 VanDerWaalsContact O-SG 3.39Å; L161-C164 WeakPolarHBondContact O-CB 3.39Å; L161-C164 PolarHBondContact O-N 2.78Å; L161-C164 VanDerWaalsContact O-N 3.13Å; C164-Q166 VanDerWaalsContact C-N 3.31Å; C164-Q166 PolarHBondContact O-N 3.48Å; C164-N167 CarbonylContact O-C 3.49Å; C164-N167 WeakPolarHBondContact O-CA 2.99Å; C164-N167 PolarHBondContact O-N 2.82Å; C164-D168 PolarHBondContact O-N 2.99Å; C164-V169 CarbonylContact C-O 3.59Å; C164-V169 VanDerWaalsContact C-O 3.28Å; C164-V169 HydrophobicContact CB-CB 4.15Å; C164-V169 HydrophobicContact CB-CG1 4.28Å; C164-V169 WeakPolarHBondContact O-CB 3.36Å; C164-V169 PolarHBondContact O-N 3.35Å
165	H	95.2	Very high	95.6	Very high	30 Å²	30	26.6 Å²	26.6	14%	0.139	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-35.5	-177.1	-64.2	-177.8	0	0	0	111.9	L161 S162 Y163 N167 D168 V169 H226 D229 L292	L161-H165 PolarHBondContact O-CD2 3.42Å; L161-H165 PolarHBondContact O-N 3.39Å; S162-H165 PolarHBondContact O-N 3.26Å; Y163-H165 PolarHBondContact O-N 3.31Å; H165-N167 PolarHBondContact O-N 3.31Å; H165-D168 PolarHBondContact O-N 3.41Å; H165-D168 VanDerWaalsContact O-N 3.11Å; H165-V169 PolarHBondContact CD2-O 3.06Å; H165-V169 VanDerWaalsContact CD2-O 3.31Å; H165-H226 HydrophobicContact CB-CB 4.48Å; H165-H226 AromaticContact CE1-CD2 3.77Å; H165-H226 PolarHBondContact CE1-O 3.07Å; H165-H226 AromaticContact ND1-CD2 3.34Å; H165-H226 PolarHBondContact ND1-CD2 3.43Å; H165-H226 VanDerWaalsContact ND1-CD2 3.34Å; H165-H226 AromaticContact ND1-CG 3.7Å; H165-D229 IonicContact CD2-OD2 2.69Å; H165-D229 IonicContact CE1-OD2 3.35Å; H165-D229 IonicContact NE2-OD2 2.72Å; H165-D229 PolarHBondContact NE2-OD2 3.25Å; H165-L292 VanDerWaalsContact CE1-CD1 3.41Å; H165-L292 WeakPolarHBondContact CE1-CD1 3.32Å; H165-L292 VanDerWaalsContact ND1-CD1 3.32Å; H165-L292 WeakPolarHBondContact ND1-CD1 3.27Å
166	Q	95.2	Very high	95.5	Very high	134 Å²	134	25.4 Å²	25.4	63%	0.626	12%	0.12	S	C	*	.	H	α-helix	trans	-66.3	-21.3	172.5	-72.3	167.4	28	0	0	113.5	S162 Y163 C164	S162-Q166 WeakPolarHBondContact O-CB 3.37Å; S162-Q166 WeakPolarHBondContact O-CG 3.46Å; S162-Q166 PolarHBondContact O-N 2.83Å; S162-Q166 PolarHBondContact OG-NE2 3.12Å; S162-Q166 VanDerWaalsContact OG-NE2 3.1Å; Y163-Q166 PolarHBondContact O-N 2.81Å; C164-Q166 VanDerWaalsContact C-N 3.31Å; C164-Q166 PolarHBondContact O-N 3.48Å
167	N	94.1	Very high	95.2	Very high	68 Å²	68	29.1 Å²	29.1	36%	0.364	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	21.3	173.8	-70.2	-92	0	0	0	111.7	L105 Y163 C164 H165 V169	L105-N167 HydrophobicContact CD2-CB 4.29Å; Y163-N167 PolarHBondContact O-N 3.13Å; Y163-N167 PolarHBondContact O-ND2 3.18Å; C164-N167 CarbonylContact O-C 3.49Å; C164-N167 WeakPolarHBondContact O-CA 2.99Å; C164-N167 PolarHBondContact O-N 2.82Å; H165-N167 PolarHBondContact O-N 3.31Å; N167-V169 PolarHBondContact O-N 3.25Å; N167-V169 VanDerWaalsContact O-N 3.15Å
168	D	92.2	Very high	95.1	Very high	93 Å²	93	29.7 Å²	29.7	50%	0.497	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	23.8	-179.3	-64	-52.7	0	0	0	114.4	C164 H165 H197 L198	C164-D168 PolarHBondContact O-N 2.99Å; H165-D168 PolarHBondContact O-N 3.41Å; H165-D168 VanDerWaalsContact O-N 3.11Å; D168-H197 CarbonylContact O-C 3.59Å; D168-H197 VanDerWaalsContact O-CA 3.26Å; D168-H197 WeakPolarHBondContact O-CA 3.45Å; D168-L198 HydrophobicContact CB-CB 4.32Å; D168-L198 PolarHBondContact O-N 3.3Å
169	V	92.5	Very high	95.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.7	179.5	175.2	0	0	0	0	110.3	I101 L105 C164 H165 N167 F192 A195 V196	I101-V169 HydrophobicContact CD1-CG1 4.48Å; I101-V169 HydrophobicContact CG1-CG2 4.26Å; I101-V169 HydrophobicContact CG2-CB 4.44Å; I101-V169 HydrophobicContact CG2-CG1 3.69Å; I101-V169 HydrophobicContact CG2-CG2 3.8Å; L105-V169 HydrophobicContact CD2-CG2 4.41Å; C164-V169 CarbonylContact C-O 3.59Å; C164-V169 VanDerWaalsContact C-O 3.28Å; C164-V169 HydrophobicContact CB-CB 4.15Å; C164-V169 HydrophobicContact CB-CG1 4.28Å; C164-V169 WeakPolarHBondContact O-CB 3.36Å; C164-V169 PolarHBondContact O-N 3.35Å; H165-V169 PolarHBondContact CD2-O 3.06Å; H165-V169 VanDerWaalsContact CD2-O 3.31Å; N167-V169 PolarHBondContact O-N 3.25Å; N167-V169 VanDerWaalsContact O-N 3.15Å; V169-F192 HydrophobicContact CG1-CD1 4.36Å; V169-F192 HydrophobicContact CG1-CE1 4.34Å; V169-A195 HydrophobicContact CG1-CB 4.25Å; V169-V196 WeakPolarHBondContact CA-O 3.32Å
170	I	92.4	Very high	95.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.9	167.1	-50	174.3	0	0	0	108.4	R172 A195 V196 L198 D225 H226 V228 D229	I170-R172 HydrophobicContact CB-CG 4.11Å; I170-R172 HydrophobicContact CG2-CG 3.51Å; I170-A195 WeakPolarHBondContact O-CA 3.35Å; I170-A195 WeakPolarHBondContact O-CB 3.23Å; I170-V196 HydrophobicContact CB-CG2 3.98Å; I170-V196 HydrophobicContact CD1-CG2 4.46Å; I170-V196 HydrophobicContact CG1-CG2 4.5Å; I170-V196 PolarHBondContact N-O 2.91Å; I170-V196 PolarHBondContact O-N 3.4Å; I170-L198 HydrophobicContact CD1-CD1 4.15Å; I170-L198 HydrophobicContact CD1-CD2 3.47Å; I170-L198 VanDerWaalsContact CD1-CD2 3.47Å; I170-L198 HydrophobicContact CD1-CG 3.83Å; I170-L198 HydrophobicContact CG1-CD1 4.36Å; I170-L198 HydrophobicContact CG1-CD2 4.33Å; I170-L198 HydrophobicContact CG1-CG 4.15Å; I170-D225 VanDerWaalsContact CD1-C 3.49Å; I170-H226 HydrophobicContact CD1-CB 4.23Å; I170-H226 HydrophobicContact CG1-CB 3.99Å; I170-V228 HydrophobicContact CG2-CG2 3.65Å; I170-D229 WeakPolarHBondContact CG2-OD2 3.21Å
171	H	92.9	Very high	95.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.			trans	-74.4	-48.3	-176.2	-171.6	-88.3	0	0	0	112.4	L161 D173 I174 I189 A190 D191 F192 S194 D229	L161-H171 HydrophobicContact CD2-CB 4.3Å; H171-D173 PolarHBondContact CE1-O 3.21Å; H171-D173 VanDerWaalsContact CE1-O 3.28Å; H171-D173 VanDerWaalsContact ND1-C 3.33Å; H171-D173 PolarHBondContact ND1-N 3.49Å; H171-D173 PolarHBondContact ND1-O 3.39Å; H171-D173 PolarHBondContact O-N 3.33Å; H171-D173 VanDerWaalsContact O-N 3.16Å; H171-I174 HydrophobicContact CB-CD1 3.98Å; H171-I174 HydrophobicContact CB-CG1 4.15Å; H171-I174 WeakPolarHBondContact ND1-CD1 3.15Å; H171-I189 WeakPolarHBondContact NE2-CG2 3.43Å; H171-A190 PolarHBondContact NE2-O 3.35Å; H171-D191 PolarHBondContact NE2-O 2.92Å; H171-F192 AromaticContact CD2-CD1 3.89Å; H171-F192 AromaticContact CD2-CE1 3.72Å; H171-F192 AromaticContact CD2-CZ 3.97Å; H171-S194 CarbonylContact O-C 3.37Å; H171-D229 PolarHBondContact N-OD1 3.25Å; H171-D229 PolarHBondContact N-OD2 3.45Å
172	R	90.9	Very high	95	Very high	52 Å²	52	29 Å²	29	20%	0.196	14%	0.14	C	C	.	.			trans	67.6	-6.3	177.5	-52.2	-169.9	-61.8	164	3.5	117.7	I170 S194 V196 M204 V228 D229	I170-R172 HydrophobicContact CB-CG 4.11Å; I170-R172 HydrophobicContact CG2-CG 3.51Å; R172-S194 PolarHBondContact NE-O 2.97Å; R172-S194 PolarHBondContact NH2-O 3.49Å; R172-V196 HydrophobicContact CG-CG2 4.42Å; R172-M204 PolarHBondContact NH1-SD 3.39Å; R172-M204 PolarHBondContact NH2-SD 3.42Å; R172-V228 HydrophobicContact CG-CG2 4.16Å; R172-D229 WeakPolarHBondContact CA-OD1 3.49Å; R172-D229 PolarHBondContact N-OD1 2.85Å
173	D	90.5	Very high	95	Very high	14 Å²	14	32.8 Å²	32.8	8%	0.075	16%	0.162	C	C	.	.			trans	-133.9	48.4	178.6	-163.6	26.7	0	0	0	111.6	H171 K175 N178	H171-D173 PolarHBondContact CE1-O 3.21Å; H171-D173 VanDerWaalsContact CE1-O 3.28Å; H171-D173 VanDerWaalsContact ND1-C 3.33Å; H171-D173 PolarHBondContact ND1-N 3.49Å; H171-D173 PolarHBondContact ND1-O 3.39Å; H171-D173 PolarHBondContact O-N 3.33Å; H171-D173 VanDerWaalsContact O-N 3.16Å; D173-K175 PolarHBondContact O-N 3.01Å; D173-K175 WeakPolarHBondContact OD1-CE 3.48Å; D173-K175 IonicContact OD1-NZ 2.71Å; D173-K175 PolarHBondContact OD1-NZ 2.83Å; D173-K175 IonicContact OD2-NZ 3.41Å; D173-K175 PolarHBondContact OD2-NZ 2.71Å; D173-N178 PolarHBondContact O-ND2 3.47Å; D173-N178 PolarHBondContact OD2-ND2 3.27Å
174	I	96	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.			trans	-76.1	118	175.4	-63	-64.6	0	0	0	109.1	L161 H171 I189 Y212 S232 L236	L161-I174 HydrophobicContact CD1-CG1 4.48Å; L161-I174 HydrophobicContact CD2-CD1 3.8Å; L161-I174 HydrophobicContact CD2-CG1 4.01Å; H171-I174 HydrophobicContact CB-CD1 3.98Å; H171-I174 HydrophobicContact CB-CG1 4.15Å; H171-I174 WeakPolarHBondContact ND1-CD1 3.15Å; I174-I189 HydrophobicContact CD1-CD1 4.05Å; I174-I189 HydrophobicContact CD1-CG1 4.48Å; I174-I189 HydrophobicContact CD1-CG2 4.09Å; I174-Y212 WeakPolarHBondContact O-CD1 3.4Å; I174-S232 WeakPolarHBondContact O-CB 3.21Å; I174-L236 HydrophobicContact CG2-CD2 4.14Å
175	K	94.2	Very high	95	Very high	26 Å²	26	35.7 Å²	35.7	11%	0.113	17%	0.173	C	C	.	.	S	Bend	trans	-165.6	160.5	-179.6	60.5	-176.1	-175.2	-144.3	0	109.8	D173 E177 N178 I179 Y212	D173-K175 PolarHBondContact O-N 3.01Å; D173-K175 WeakPolarHBondContact OD1-CE 3.48Å; D173-K175 IonicContact OD1-NZ 2.71Å; D173-K175 PolarHBondContact OD1-NZ 2.83Å; D173-K175 IonicContact OD2-NZ 3.41Å; D173-K175 PolarHBondContact OD2-NZ 2.71Å; K175-E177 WeakPolarHBondContact CB-OE2 3.45Å; K175-E177 VanDerWaalsContact CD-OE2 3.23Å; K175-E177 WeakPolarHBondContact CD-OE2 3.01Å; K175-E177 WeakPolarHBondContact CG-OE2 3.43Å; K175-E177 PolarHBondContact O-N 3.34Å; K175-E177 VanDerWaalsContact O-N 3.13Å; K175-N178 WeakPolarHBondContact CE-ND2 3.45Å; K175-N178 HydrophobicContact CG-CB 4.22Å; K175-N178 PolarHBondContact O-N 2.71Å; K175-I179 PolarHBondContact O-N 3.16Å; K175-Y212 HydrophobicContact CB-CD1 4.08Å; K175-Y212 HydrophobicContact CB-CD2 4.09Å; K175-Y212 HydrophobicContact CB-CE1 4.08Å; K175-Y212 HydrophobicContact CB-CE2 4.06Å; K175-Y212 HydrophobicContact CB-CG 4.09Å
176	P	95.9	Very high	95.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-56.3	-30.9	-174.5	-23.2	30.1	0	0	0	114.9	L135 S136 I139 N178 I179 Y212 L236 E239	L135-P176 HydrophobicContact CB-CB 4.32Å; L135-P176 WeakPolarHBondContact CB-O 3.2Å; L135-P176 HydrophobicContact CG-CB 4.45Å; L135-P176 PolarHBondContact N-O 3.05Å; S136-P176 PolarHBondContact N-O 3.43Å; I139-P176 HydrophobicContact CD1-CB 4.02Å; I139-P176 HydrophobicContact CD1-CG 3.88Å; P176-N178 VanDerWaalsContact C-N 3.27Å; P176-N178 PolarHBondContact O-N 3.11Å; P176-I179 PolarHBondContact O-N 3.34Å; P176-Y212 VanDerWaalsContact CD-CZ 3.44Å; P176-Y212 WeakPolarHBondContact CD-OH 3Å; P176-Y212 WeakPolarHBondContact CG-OH 3.13Å; P176-L236 HydrophobicContact CB-CD1 4.35Å; P176-L236 HydrophobicContact CG-CD1 3.59Å; P176-E239 WeakPolarHBondContact CG-OE2 3.42Å
177	E	93.2	Very high	95.3	Very high	78 Å²	78	28.8 Å²	28.8	36%	0.364	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-69.3	-26.4	178.5	-56.2	83.9	173.7	0	0	112.7	K175	K175-E177 WeakPolarHBondContact CB-OE2 3.45Å; K175-E177 VanDerWaalsContact CD-OE2 3.23Å; K175-E177 WeakPolarHBondContact CD-OE2 3.01Å; K175-E177 WeakPolarHBondContact CG-OE2 3.43Å; K175-E177 PolarHBondContact O-N 3.34Å; K175-E177 VanDerWaalsContact O-N 3.13Å
178	N	95.7	Very high	95.5	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.07	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-96.7	4.5	178.5	-71.6	-11.4	0	0	0	112.4	D173 K175 P176 A190	D173-N178 PolarHBondContact O-ND2 3.47Å; D173-N178 PolarHBondContact OD2-ND2 3.27Å; K175-N178 WeakPolarHBondContact CE-ND2 3.45Å; K175-N178 HydrophobicContact CG-CB 4.22Å; K175-N178 PolarHBondContact O-N 2.71Å; P176-N178 VanDerWaalsContact C-N 3.27Å; P176-N178 PolarHBondContact O-N 3.11Å; N178-A190 WeakPolarHBondContact O-CA 3.5Å; N178-A190 WeakPolarHBondContact O-CB 3.44Å; N178-A190 PolarHBondContact O-N 3.15Å
179	I	98.1	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.9	172.5	-54.8	-51.7	0	0	0	108.7	E134 L135 L157 K175 P176 V187 I189 L236	E134-I179 CarbonylContact C-O 3.57Å; L135-I179 HydrophobicContact CB-CB 3.95Å; L135-I179 HydrophobicContact CB-CG2 4.16Å; L135-I179 WeakPolarHBondContact CB-O 3.36Å; L135-I179 HydrophobicContact CD2-CB 3.97Å; L135-I179 HydrophobicContact CD2-CG1 4.43Å; L135-I179 HydrophobicContact CD2-CG2 3.9Å; L135-I179 PolarHBondContact N-O 2.97Å; L157-I179 HydrophobicContact CD2-CD1 3.6Å; L157-I179 HydrophobicContact CD2-CG1 4.21Å; L157-I179 HydrophobicContact CD2-CG2 4.25Å; K175-I179 PolarHBondContact O-N 3.16Å; P176-I179 PolarHBondContact O-N 3.34Å; I179-V187 HydrophobicContact CG2-CB 3.71Å; I179-V187 HydrophobicContact CG2-CG1 4.01Å; I179-I189 HydrophobicContact CD1-CB 4.31Å; I179-I189 HydrophobicContact CD1-CG1 3.82Å; I179-I189 HydrophobicContact CD1-CG2 4.48Å; I179-L236 HydrophobicContact CG1-CD2 4.15Å
180	L	98.3	Very high	96	Very high	34 Å²	34	22.3 Å²	22.3	18%	0.178	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	157	177.6	-56.1	-177	0	0	0	111.8	V111 V130 G133 E134 V187 K188 A190	V111-L180 HydrophobicContact CG2-CD1 4.03Å; V130-L180 HydrophobicContact CB-CB 3.82Å; V130-L180 HydrophobicContact CB-CD1 3.87Å; V130-L180 HydrophobicContact CG1-CB 3.49Å; V130-L180 VanDerWaalsContact CG1-CB 3.49Å; V130-L180 HydrophobicContact CG1-CD1 4.49Å; V130-L180 HydrophobicContact CG2-CB 4.29Å; V130-L180 HydrophobicContact CG2-CD1 4.11Å; G133-L180 CarbonylContact O-C 3.46Å; G133-L180 WeakPolarHBondContact O-CA 3.04Å; E134-L180 HydrophobicContact CB-CD2 4.42Å; E134-L180 HydrophobicContact CG-CD2 3.89Å; L180-V187 CarbonylContact O-C 3.46Å; L180-V187 WeakPolarHBondContact O-CA 3.1Å; L180-K188 PolarHBondContact N-O 3.04Å; L180-K188 PolarHBondContact O-N 3.13Å; L180-A190 HydrophobicContact CD1-CB 3.89Å; L180-A190 HydrophobicContact CG-CB 3.86Å
181	L	98.5	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120	-177	-67.6	174.1	0	0	0	112.5	V130 R132 G133 L135 E138 Y153 V187 W319	V130-L181 WeakPolarHBondContact CG1-O 3.35Å; R132-L181 WeakPolarHBondContact CA-O 3.29Å; R132-L181 HydrophobicContact CB-CB 3.73Å; R132-L181 WeakPolarHBondContact CB-O 3.1Å; R132-L181 PolarHBondContact N-O 3.47Å; R132-L181 VanDerWaalsContact N-O 3.07Å; G133-L181 PolarHBondContact O-N 3.24Å; L135-L181 HydrophobicContact CD1-CD1 4.16Å; L135-L181 HydrophobicContact CD1-CD2 4.16Å; L135-L181 HydrophobicContact CD1-CG 4.42Å; E138-L181 HydrophobicContact CB-CD1 3.66Å; E138-L181 HydrophobicContact CG-CD1 3.62Å; Y153-L181 HydrophobicContact CE1-CD2 4.4Å; Y153-L181 HydrophobicContact CE2-CD2 4.12Å; Y153-L181 WeakPolarHBondContact OH-CD2 3.32Å; L181-V187 HydrophobicContact CD2-CG1 3.97Å; L181-W319 HydrophobicContact CD1-CZ2 4.21Å
182	G	97.9	Very high	95.7	Very high	2 Å²	2	25 Å²	25	2%	0.021	12%	0.121	C	C	.	.			trans	-79	173.8	179.8	0	0	0	0	0	114.1	R132 R184 G185 E186	R132-G182 WeakPolarHBondContact CD-O 3.46Å; R132-G182 PolarHBondContact NE-O 3.3Å; G182-R184 PolarHBondContact O-N 2.84Å; G182-G185 PolarHBondContact O-N 3.49Å; G182-E186 WeakPolarHBondContact CA-OE1 3.28Å; G182-E186 PolarHBondContact N-O 3.37Å
183	V	96.3	Very high	95.3	Very high	90 Å²	90	22.9 Å²	22.9	55%	0.545	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-32	-175.3	-74.2	0	0	0	0	113	P131 G185	P131-V183 HydrophobicContact CG-CG1 3.3Å; V183-G185 VanDerWaalsContact C-N 3.33Å
184	R	97.5	Very high	94.6	Very high	111 Å²	111	23 Å²	23	42%	0.419	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	17.3	-178	-64.1	172.3	67.1	-166.8	2.3	112.2	G182 E186 N310 Q311 C312	G182-R184 PolarHBondContact O-N 2.84Å; R184-E186 VanDerWaalsContact C-N 3.26Å; R184-E186 VanDerWaalsContact CA-OE2 3.23Å; R184-E186 WeakPolarHBondContact CA-OE2 3.42Å; R184-E186 VanDerWaalsContact CB-OE2 3.27Å; R184-E186 WeakPolarHBondContact CB-OE2 3.46Å; R184-E186 PolarHBondContact N-OE2 3.37Å; R184-E186 PolarHBondContact O-N 3.26Å; R184-N310 WeakPolarHBondContact CB-O 3.34Å; R184-N310 WeakPolarHBondContact CD-O 3.2Å; R184-N310 VanDerWaalsContact CZ-O 3.27Å; R184-N310 PolarHBondContact NE-O 3.31Å; R184-N310 PolarHBondContact NH1-O 2.97Å; R184-Q311 HydrophobicContact CB-CB 3.94Å; R184-Q311 CarbonylContact O-C 3.6Å; R184-Q311 VanDerWaalsContact O-CA 3.29Å; R184-Q311 WeakPolarHBondContact O-CA 3.07Å; R184-C312 PolarHBondContact O-N 3.37Å
185	G	97.4	Very high	93.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	83.9	-4.6	179.2	0	0	0	0	0	114.7	Y153 G182 V183 C312	Y153-G185 WeakPolarHBondContact CE1-O 3.47Å; Y153-G185 PolarHBondContact OH-O 3.2Å; G182-G185 PolarHBondContact O-N 3.49Å; V183-G185 VanDerWaalsContact C-N 3.33Å; G185-C312 WeakPolarHBondContact O-CB 3.45Å
186	E	98.4	Very high	92.5	Very high	18 Å²	18	22 Å²	22	8%	0.084	12%	0.115	C	C	.	.			trans	-70.8	144	-177.9	77.6	-72.1	-173.9	0	0	112.7	G182 R184	G182-E186 WeakPolarHBondContact CA-OE1 3.28Å; G182-E186 PolarHBondContact N-O 3.37Å; R184-E186 VanDerWaalsContact C-N 3.26Å; R184-E186 VanDerWaalsContact CA-OE2 3.23Å; R184-E186 WeakPolarHBondContact CA-OE2 3.42Å; R184-E186 VanDerWaalsContact CB-OE2 3.27Å; R184-E186 WeakPolarHBondContact CB-OE2 3.46Å; R184-E186 PolarHBondContact N-OE2 3.37Å; R184-E186 PolarHBondContact O-N 3.26Å
187	V	98.7	Very high	91.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	148.3	173.7	-59.8	0	0	0	0	111.2	N109 Y153 Q156 L157 I179 L180 L181	N109-V187 VanDerWaalsContact CA-O 3.24Å; N109-V187 WeakPolarHBondContact CA-O 3.42Å; N109-V187 WeakPolarHBondContact CB-O 3.47Å; N109-V187 PolarHBondContact ND2-O 3.27Å; Y153-V187 HydrophobicContact CD1-CG1 3.41Å; Y153-V187 VanDerWaalsContact CD1-CG1 3.41Å; Y153-V187 HydrophobicContact CD2-CG1 3.88Å; Y153-V187 HydrophobicContact CE1-CG1 3.73Å; Y153-V187 HydrophobicContact CE2-CG1 4.18Å; Y153-V187 HydrophobicContact CG-CG1 3.47Å; Y153-V187 VanDerWaalsContact CG-CG1 3.47Å; Q156-V187 HydrophobicContact CB-CG2 3.44Å; Q156-V187 VanDerWaalsContact CB-CG2 3.44Å; Q156-V187 HydrophobicContact CG-CG2 4.45Å; L157-V187 HydrophobicContact CD2-CB 4.34Å; L157-V187 HydrophobicContact CD2-CG2 3.76Å; L157-V187 HydrophobicContact CG-CG2 3.78Å; I179-V187 HydrophobicContact CG2-CB 3.71Å; I179-V187 HydrophobicContact CG2-CG1 4.01Å; L180-V187 CarbonylContact O-C 3.46Å; L180-V187 WeakPolarHBondContact O-CA 3.1Å; L181-V187 HydrophobicContact CD2-CG1 3.97Å
188	K	98.7	Very high	89.4	Confident	15 Å²	15	24.5 Å²	24.5	7%	0.065	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.9	174.5	-71.7	172.9	175.2	-81.8	0	110.2	P108 N109 V111 E128 V130 L180 A190	P108-K188 PolarHBondContact O-NZ 3.25Å; N109-K188 CarbonylContact O-C 3.56Å; N109-K188 WeakPolarHBondContact O-CA 3.31Å; V111-K188 HydrophobicContact CG2-CB 3.88Å; E128-K188 VanDerWaalsContact CD-NZ 3.3Å; E128-K188 WeakPolarHBondContact OE1-CE 3.5Å; E128-K188 IonicContact OE1-NZ 2.87Å; E128-K188 PolarHBondContact OE1-NZ 2.97Å; E128-K188 IonicContact OE2-NZ 3.33Å; E128-K188 PolarHBondContact OE2-NZ 2.84Å; E128-K188 VanDerWaalsContact OE2-NZ 3.13Å; V130-K188 HydrophobicContact CG1-CD 4.16Å; V130-K188 HydrophobicContact CG2-CD 3.62Å; L180-K188 PolarHBondContact N-O 3.04Å; L180-K188 PolarHBondContact O-N 3.13Å; K188-A190 PolarHBondContact O-N 3.31Å
189	I	98.4	Very high	87.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.5	173.5	-57.7	179.3	0	0	0	109.1	N109 I110 V111 L157 A160 L161 H171 I174 I179 F192	N109-I189 PolarHBondContact O-N 3.46Å; I110-I189 HydrophobicContact CG1-CB 4.49Å; V111-I189 WeakPolarHBondContact CG2-O 3.39Å; V111-I189 PolarHBondContact N-O 3.13Å; L157-I189 HydrophobicContact CD2-CD1 4.27Å; L157-I189 HydrophobicContact CD2-CG1 3.81Å; A160-I189 HydrophobicContact CB-CD1 3.53Å; A160-I189 HydrophobicContact CB-CG1 4.15Å; L161-I189 HydrophobicContact CD2-CD1 3.91Å; L161-I189 HydrophobicContact CG-CD1 3.98Å; H171-I189 WeakPolarHBondContact NE2-CG2 3.43Å; I174-I189 HydrophobicContact CD1-CD1 4.05Å; I174-I189 HydrophobicContact CD1-CG1 4.48Å; I174-I189 HydrophobicContact CD1-CG2 4.09Å; I179-I189 HydrophobicContact CD1-CB 4.31Å; I179-I189 HydrophobicContact CD1-CG1 3.82Å; I179-I189 HydrophobicContact CD1-CG2 4.48Å; I189-F192 HydrophobicContact CG2-CE2 4.18Å; I189-F192 HydrophobicContact CG2-CZ 4.04Å
190	A	95.2	Very high	84.8	Confident	13 Å²	13	30.8 Å²	30.8	11%	0.107	17%	0.171	C	C	.	.			trans	-119.4	169.7	176.7	0	0	0	0	0	110.9	V111 H171 N178 L180 K188	V111-A190 HydrophobicContact CB-CB 4.42Å; V111-A190 HydrophobicContact CG2-CB 3.75Å; H171-A190 PolarHBondContact NE2-O 3.35Å; N178-A190 WeakPolarHBondContact O-CA 3.5Å; N178-A190 WeakPolarHBondContact O-CB 3.44Å; N178-A190 PolarHBondContact O-N 3.15Å; L180-A190 HydrophobicContact CD1-CB 3.89Å; L180-A190 HydrophobicContact CG-CB 3.86Å; K188-A190 PolarHBondContact O-N 3.31Å
191	D	89.1	Confident	82.1	Confident	56 Å²	56	33.4 Å²	33.4	30%	0.299	19%	0.192	S	C	.	.			trans	56.8	82.2	175.4	-156.9	2.1	0	0	0	116.8	K79 H171 G193	K79-D191 IonicContact NZ-OD1 2.59Å; K79-D191 PolarHBondContact NZ-OD1 2.91Å; K79-D191 IonicContact NZ-OD2 3.85Å; H171-D191 PolarHBondContact NE2-O 2.92Å; D191-G193 PolarHBondContact O-N 3.38Å; D191-G193 PolarHBondContact OD1-N 2.95Å; D191-G193 VanDerWaalsContact OD1-N 3.16Å
192	F	90.6	Very high	79.4	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-84.8	16	174.2	-71.9	-101.3	0	0	0	113	E98 I101 Q102 L105 I110 V169 H171 I189 S194 A195	E98-F192 HydrophobicContact CG-CB 4.3Å; I101-F192 HydrophobicContact CG2-CB 4.47Å; I101-F192 HydrophobicContact CG2-CD1 3.74Å; I101-F192 HydrophobicContact CG2-CE1 4.42Å; I101-F192 HydrophobicContact CG2-CG 4.36Å; Q102-F192 HydrophobicContact CB-CB 4.41Å; Q102-F192 HydrophobicContact CB-CD2 4.44Å; Q102-F192 HydrophobicContact CB-CG 4.48Å; Q102-F192 HydrophobicContact CG-CD2 3.9Å; Q102-F192 HydrophobicContact CG-CE2 4.42Å; Q102-F192 HydrophobicContact CG-CG 4.41Å; L105-F192 HydrophobicContact CD1-CD1 3.84Å; L105-F192 HydrophobicContact CD1-CE1 3.25Å; L105-F192 HydrophobicContact CD1-CE2 4.4Å; L105-F192 HydrophobicContact CD1-CZ 3.6Å; I110-F192 HydrophobicContact CD1-CZ 4.46Å; I110-F192 HydrophobicContact CG2-CE2 3.69Å; I110-F192 HydrophobicContact CG2-CZ 3.66Å; V169-F192 HydrophobicContact CG1-CD1 4.36Å; V169-F192 HydrophobicContact CG1-CE1 4.34Å; H171-F192 AromaticContact CD2-CD1 3.89Å; H171-F192 AromaticContact CD2-CE1 3.72Å; H171-F192 AromaticContact CD2-CZ 3.97Å; I189-F192 HydrophobicContact CG2-CE2 4.18Å; I189-F192 HydrophobicContact CG2-CZ 4.04Å; F192-S194 PolarHBondContact O-N 3.37Å; F192-S194 VanDerWaalsContact O-N 3.15Å; F192-A195 HydrophobicContact CB-CB 3.93Å; F192-A195 HydrophobicContact CD1-CB 3.78Å; F192-A195 HydrophobicContact CG-CB 4.33Å; F192-A195 VanDerWaalsContact O-CB 3.3Å; F192-A195 WeakPolarHBondContact O-CB 3.42Å; F192-A195 PolarHBondContact O-N 3.03Å
193	G	82.6	Confident	76.4	Confident	9 Å²	9	52.8 Å²	52.8	9%	0.093	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-60.1	-25.3	179.7	0	0	0	0	0	113.5	Q94 D191	Q94-G193 VanDerWaalsContact CG-O 3.28Å; Q94-G193 WeakPolarHBondContact CG-O 3.41Å; Q94-G193 PolarHBondContact NE2-O 2.99Å; D191-G193 PolarHBondContact O-N 3.38Å; D191-G193 PolarHBondContact OD1-N 2.95Å; D191-G193 VanDerWaalsContact OD1-N 3.16Å
194	S	76.4	Confident	73.7	Confident	15 Å²	15	51.4 Å²	51.4	11%	0.105	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-96.9	-2.9	175.4	-63.4	0	0	0	0	113.4	H171 R172 F192	H171-S194 CarbonylContact O-C 3.37Å; R172-S194 PolarHBondContact NE-O 2.97Å; R172-S194 PolarHBondContact NH2-O 3.49Å; F192-S194 PolarHBondContact O-N 3.37Å; F192-S194 VanDerWaalsContact O-N 3.15Å
195	A	69.7	Low	70.9	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.033	26%	0.262	C	S	.	.			trans	-73	154.8	-174	0	0	0	0	0	112.9	R97 I101 V169 I170 F192	R97-A195 WeakPolarHBondContact CD-O 3.24Å; I101-A195 HydrophobicContact CD1-CB 3.78Å; I101-A195 HydrophobicContact CG2-CB 4.45Å; V169-A195 HydrophobicContact CG1-CB 4.25Å; I170-A195 WeakPolarHBondContact O-CA 3.35Å; I170-A195 WeakPolarHBondContact O-CB 3.23Å; F192-A195 HydrophobicContact CB-CB 3.93Å; F192-A195 HydrophobicContact CD1-CB 3.78Å; F192-A195 HydrophobicContact CG-CB 4.33Å; F192-A195 VanDerWaalsContact O-CB 3.3Å; F192-A195 WeakPolarHBondContact O-CB 3.42Å; F192-A195 PolarHBondContact O-N 3.03Å
196	V	76.3	Confident	67.9	Low	2 Å²	2	56.7 Å²	56.7	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.7	176.9	-73.5	0	0	0	0	111.5	V169 I170 R172 A200 M204	V169-V196 WeakPolarHBondContact CA-O 3.32Å; I170-V196 HydrophobicContact CB-CG2 3.98Å; I170-V196 HydrophobicContact CD1-CG2 4.46Å; I170-V196 HydrophobicContact CG1-CG2 4.5Å; I170-V196 PolarHBondContact N-O 2.91Å; I170-V196 PolarHBondContact O-N 3.4Å; R172-V196 HydrophobicContact CG-CG2 4.42Å; V196-A200 HydrophobicContact CG2-CB 3.99Å; V196-M204 HydrophobicContact CG1-CE 3.38Å; V196-M204 HydrophobicContact CG1-SD 4.03Å
197	H	66.9	Low	65.2	Low	68 Å²	68	58.4 Å²	58.4	32%	0.315	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.8	158.7	-72.2	117.4	0	0	0	109.4	I101 D168	I101-H197 WeakPolarHBondContact CG1-CE1 3.48Å; I101-H197 WeakPolarHBondContact CG1-ND1 3.37Å; D168-H197 CarbonylContact O-C 3.59Å; D168-H197 VanDerWaalsContact O-CA 3.26Å; D168-H197 WeakPolarHBondContact O-CA 3.45Å
198	L	57.5	Low	62.8	Low	64 Å²	64	60.2 Å²	60.2	34%	0.335	32%	0.323	S	S	.	.	S	Bend	trans	-70.7	146.6	170.4	-75.8	173.6	0	0	0	111	D168 I170 A200	D168-L198 HydrophobicContact CB-CB 4.32Å; D168-L198 PolarHBondContact O-N 3.3Å; I170-L198 HydrophobicContact CD1-CD1 4.15Å; I170-L198 HydrophobicContact CD1-CD2 3.47Å; I170-L198 VanDerWaalsContact CD1-CD2 3.47Å; I170-L198 HydrophobicContact CD1-CG 3.83Å; I170-L198 HydrophobicContact CG1-CD1 4.36Å; I170-L198 HydrophobicContact CG1-CD2 4.33Å; I170-L198 HydrophobicContact CG1-CG 4.15Å; L198-A200 HydrophobicContact CD2-CB 4.24Å
199	P	46.6	Very low	61	Low	125 Å²	125	61.8 Å²	61.8	81%	0.812	34%	0.335	S	S	*	.	S	Bend	cis	-76.9	130.9	-1.4	30.8	-32.9	0	0	0	112.3	S201	P199-S201 PolarHBondContact O-N 2.92Å
200	A	49.3	Very low	60.1	Low	20 Å²	20	63.2 Å²	63.2	17%	0.165	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-69.5	128.6	179.3	0	0	0	0	0	111	V196 L198	V196-A200 HydrophobicContact CG2-CB 3.99Å; L198-A200 HydrophobicContact CD2-CB 4.24Å
201	S	42.2	Very low	59.8	Low	89 Å²	89	63.5 Å²	63.5	62%	0.622	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-65.5	139.3	173.7	-179.9	0	0	0	0	111.4	P199 R203	P199-S201 PolarHBondContact O-N 2.92Å; S201-R203 PolarHBondContact O-N 3.41Å
202	R	40.8	Very low	59.9	Low	185 Å²	185	61.3 Å²	61.3	70%	0.698	33%	0.329	S	S	*	.	S	Bend	trans	-60.5	-6.4	-171.2	-71.1	-177.3	172.6	-178.9	-3.4	117	V223	R202-V223 HydrophobicContact CG-CG2 4.2Å
203	R	35.7	Very low	59.7	Low	223 Å²	223	62.2 Å²	62.2	84%	0.842	33%	0.334	S	S	*	.			trans	-137.9	104.1	-173.9	-69.8	-176.5	-173.3	158.2	1.1	109.7	S201	S201-R203 PolarHBondContact O-N 3.41Å
204	M	39.7	Very low	60.1	Low	61 Å²	61	61.8 Å²	61.8	30%	0.3	33%	0.33	S	S	.	.			trans	-135.9	130.8	163.3	-86.7	-176.5	-96.2	0	0	110	R172 V196	R172-M204 PolarHBondContact NH1-SD 3.39Å; R172-M204 PolarHBondContact NH2-SD 3.42Å; V196-M204 HydrophobicContact CG1-CE 3.38Å; V196-M204 HydrophobicContact CG1-SD 4.03Å
205	T	38.3	Very low	60.8	Low	98 Å²	98	61.2 Å²	61.2	60%	0.601	33%	0.326	S	S	*	.			trans	-42.3	140.9	177.8	-36.3	0	0	0	0	111.4	F207	T205-F207 HydrophobicContact CG2-CE1 4.36Å; T205-F207 HydrophobicContact CG2-CZ 4.1Å; T205-F207 WeakPolarHBondContact O-CD2 3.31Å; T205-F207 WeakPolarHBondContact O-CG 3.27Å; T205-F207 PolarHBondContact O-N 2.96Å
206	T	35.4	Very low	61.6	Low	124 Å²	124	61.8 Å²	61.8	76%	0.761	33%	0.328	S	S	*	.			trans	-47.8	101.7	171.2	37.9	0	0	0	0	110.5
207	F	40.4	Very low	61.9	Low	55 Å²	55	64.3 Å²	64.3	24%	0.241	34%	0.341	C	S	.	.			trans	-123.5	126.5	175.2	-66.3	-55.3	0	0	0	108	T205 L213	T205-F207 HydrophobicContact CG2-CE1 4.36Å; T205-F207 HydrophobicContact CG2-CZ 4.1Å; T205-F207 WeakPolarHBondContact O-CD2 3.31Å; T205-F207 WeakPolarHBondContact O-CG 3.27Å; T205-F207 PolarHBondContact O-N 2.96Å; F207-L213 WeakPolarHBondContact O-CD2 3.38Å
208	G	48.6	Very low	62.4	Low	37 Å²	37	63.4 Å²	63.4	38%	0.381	34%	0.336	S	S	.	.	S	Bend	trans	137.2	158.8	177	0	0	0	0	0	112.3	L210	G208-L210 PolarHBondContact O-N 3.2Å
209	T	61.8	Low	63.2	Low	49 Å²	49	65 Å²	65	30%	0.301	34%	0.341	S	S	.	.			trans	-65.2	117.8	160.8	-56.6	0	0	0	0	106	N211 Y212	T209-N211 PolarHBondContact O-N 3.4Å; T209-Y212 HydrophobicContact CG2-CD2 4.14Å; T209-Y212 HydrophobicContact CG2-CE2 4.18Å; T209-Y212 PolarHBondContact O-N 3.47Å
210	L	79.4	Confident	63.8	Low	30 Å²	30	66.4 Å²	66.4	16%	0.157	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-43.8	-39.4	-170	177.5	63.6	0	0	0	113.1	G208 Y212 L213 F218 F252 I255 I259	G208-L210 PolarHBondContact O-N 3.2Å; L210-Y212 PolarHBondContact O-N 3.35Å; L210-L213 HydrophobicContact CD1-CD1 4.1Å; L210-L213 WeakPolarHBondContact O-CB 3.47Å; L210-L213 PolarHBondContact O-N 2.96Å; L210-L213 VanDerWaalsContact O-N 3.1Å; L210-F218 HydrophobicContact CD1-CE1 3.75Å; L210-F218 HydrophobicContact CD1-CZ 3.69Å; L210-F252 HydrophobicContact CD1-CD2 4.06Å; L210-F252 HydrophobicContact CD1-CE2 3.52Å; L210-F252 HydrophobicContact CD1-CZ 4.18Å; L210-F252 HydrophobicContact CD2-CB 4.46Å; L210-F252 HydrophobicContact CD2-CD2 3.43Å; L210-F252 VanDerWaalsContact CD2-CD2 3.43Å; L210-F252 HydrophobicContact CD2-CE2 3.83Å; L210-F252 HydrophobicContact CD2-CG 4.11Å; L210-F252 HydrophobicContact CG-CD2 4.36Å; L210-F252 HydrophobicContact CG-CE2 4.3Å; L210-I255 HydrophobicContact CD2-CB 3.84Å; L210-I255 HydrophobicContact CD2-CD1 4.17Å; L210-I255 HydrophobicContact CD2-CG2 3.67Å; L210-I255 HydrophobicContact CG-CG2 3.81Å; L210-I259 WeakPolarHBondContact O-CD1 3.33Å
211	N	87.5	Confident	64.1	Low	18 Å²	18	74.4 Å²	74.4	10%	0.096	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-64.3	-19.1	-174.8	-48.6	74.8	0	0	0	114.3	T209 L245 F247	T209-N211 PolarHBondContact O-N 3.4Å; N211-L245 HydrophobicContact CB-CD1 3.72Å; N211-L245 HydrophobicContact CB-CD2 4.16Å; N211-L245 HydrophobicContact CB-CG 4.39Å; N211-F247 PolarHBondContact ND2-O 2.89Å
212	Y	91.7	Very high	64.7	Low	10 Å²	10	72.7 Å²	72.7	4%	0.039	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-97.5	-5.1	176.9	-63.7	-99.8	0	0	0	113.5	I174 K175 P176 T209 L210 S232 I235 L236 E239 L245	I174-Y212 WeakPolarHBondContact O-CD1 3.4Å; K175-Y212 HydrophobicContact CB-CD1 4.08Å; K175-Y212 HydrophobicContact CB-CD2 4.09Å; K175-Y212 HydrophobicContact CB-CE1 4.08Å; K175-Y212 HydrophobicContact CB-CE2 4.06Å; K175-Y212 HydrophobicContact CB-CG 4.09Å; P176-Y212 VanDerWaalsContact CD-CZ 3.44Å; P176-Y212 WeakPolarHBondContact CD-OH 3Å; P176-Y212 WeakPolarHBondContact CG-OH 3.13Å; T209-Y212 HydrophobicContact CG2-CD2 4.14Å; T209-Y212 HydrophobicContact CG2-CE2 4.18Å; T209-Y212 PolarHBondContact O-N 3.47Å; L210-Y212 PolarHBondContact O-N 3.35Å; Y212-S232 PolarHBondContact O-OG 2.86Å; Y212-I235 HydrophobicContact CD1-CB 3.75Å; Y212-I235 HydrophobicContact CD1-CG2 3.51Å; Y212-I235 HydrophobicContact CE1-CB 4.06Å; Y212-I235 HydrophobicContact CE1-CG2 3.53Å; Y212-I235 HydrophobicContact CG-CB 4.48Å; Y212-I235 HydrophobicContact CG-CG2 4.03Å; Y212-L236 HydrophobicContact CE1-CB 4.31Å; Y212-E239 PolarHBondContact OH-OE1 3.08Å; Y212-E239 PolarHBondContact OH-OE2 3.14Å; Y212-L245 HydrophobicContact CE1-CD2 4.48Å; Y212-L245 HydrophobicContact CE2-CD2 3.85Å
213	L	87.6	Confident	65.7	Low	20 Å²	20	68 Å²	68	11%	0.105	36%	0.355	C	S	.	.			trans	-71.7	131.6	-179.2	-64.1	-177.2	0	0	0	110.5	F207 L210 L217 F218 W231 I259	F207-L213 WeakPolarHBondContact O-CD2 3.38Å; L210-L213 HydrophobicContact CD1-CD1 4.1Å; L210-L213 WeakPolarHBondContact O-CB 3.47Å; L210-L213 PolarHBondContact O-N 2.96Å; L210-L213 VanDerWaalsContact O-N 3.1Å; L213-L217 HydrophobicContact CB-CD1 4.4Å; L213-L217 HydrophobicContact CD2-CD1 3.98Å; L213-F218 HydrophobicContact CB-CE2 4.01Å; L213-F218 HydrophobicContact CB-CZ 4.18Å; L213-F218 HydrophobicContact CD1-CZ 4.48Å; L213-W231 PolarHBondContact O-NE1 3.26Å; L213-I259 WeakPolarHBondContact O-CG2 3.24Å
214	A	90.4	Very high	67.2	Low	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.324	C	S	.	.			trans	-68.9	146.6	173.9	0	0	0	0	0	111.2	E216 L217 V228 W231	A214-E216 VanDerWaalsContact CB-CD 3.47Å; A214-E216 HydrophobicContact CB-CG 4.37Å; A214-E216 VanDerWaalsContact CB-OE2 3.28Å; A214-E216 WeakPolarHBondContact CB-OE2 3.32Å; A214-E216 PolarHBondContact O-N 3.32Å; A214-E216 VanDerWaalsContact O-N 3.16Å; A214-L217 HydrophobicContact CB-CD1 4.23Å; A214-L217 HydrophobicContact CB-CG 4.49Å; A214-L217 WeakPolarHBondContact O-CB 3.47Å; A214-L217 PolarHBondContact O-N 2.79Å; A214-V228 HydrophobicContact CB-CB 4.27Å; A214-V228 HydrophobicContact CB-CG1 4.1Å; A214-W231 VanDerWaalsContact CA-CD1 3.5Å; A214-W231 HydrophobicContact CB-CB 3.84Å; A214-W231 HydrophobicContact CB-CD2 4.25Å; A214-W231 HydrophobicContact CB-CG 3.71Å
215	P	90.4	Very high	69.2	Low	4 Å²	4	58.3 Å²	58.3	3%	0.026	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.1	-31.1	-174.5	22	-34.1	0	0	0	113.7	L217 F218 H219 W231 I259	P215-L217 VanDerWaalsContact C-N 3.25Å; P215-L217 PolarHBondContact O-N 3.42Å; P215-F218 PolarHBondContact O-N 3.22Å; P215-H219 PolarHBondContact O-CE1 3.46Å; P215-H219 PolarHBondContact O-ND1 2.81Å; P215-W231 HydrophobicContact CG-CE3 4.32Å; P215-W231 HydrophobicContact CG-CH2 4.06Å; P215-W231 HydrophobicContact CG-CZ3 3.94Å; P215-I259 HydrophobicContact CB-CG2 4.17Å
216	E	87.6	Confident	71.7	Confident	15 Å²	15	56.6 Å²	56.6	7%	0.07	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-62.9	-31.7	175.5	62.3	-88.7	-145.9	0	0	112.2	A214 F218 H219 H224 V228 R289	A214-E216 VanDerWaalsContact CB-CD 3.47Å; A214-E216 HydrophobicContact CB-CG 4.37Å; A214-E216 VanDerWaalsContact CB-OE2 3.28Å; A214-E216 WeakPolarHBondContact CB-OE2 3.32Å; A214-E216 PolarHBondContact O-N 3.32Å; A214-E216 VanDerWaalsContact O-N 3.16Å; E216-F218 PolarHBondContact O-N 3.13Å; E216-F218 VanDerWaalsContact O-N 3.11Å; E216-H219 WeakPolarHBondContact O-CB 3.34Å; E216-H219 PolarHBondContact O-N 2.72Å; E216-H224 HydrophobicContact CG-CB 4.44Å; E216-H224 WeakPolarHBondContact CG-ND1 3.19Å; E216-H224 PolarHBondContact O-CE1 3.22Å; E216-V228 HydrophobicContact CG-CG1 4.28Å; E216-V228 WeakPolarHBondContact OE1-CG1 3.33Å; E216-R289 IonicContact OE1-CZ 2.72Å; E216-R289 IonicContact OE1-NH1 3.47Å; E216-R289 PolarHBondContact OE1-NH1 2.76Å; E216-R289 IonicContact OE1-NH2 3.87Å; E216-R289 PolarHBondContact OE1-NH2 2.86Å; E216-R289 IonicContact OE2-CZ 3.75Å; E216-R289 IonicContact OE2-NH1 3.13Å; E216-R289 IonicContact OE2-NH2 2.92Å; E216-R289 PolarHBondContact OE2-NH2 2.86Å
217	L	81.5	Confident	74.4	Confident	55 Å²	55	54.1 Å²	54.1	29%	0.288	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-67	-13.7	-178.3	-67.2	167.8	0	0	0	113.5	L213 A214 P215 H219 H224 V228	L213-L217 HydrophobicContact CB-CD1 4.4Å; L213-L217 HydrophobicContact CD2-CD1 3.98Å; A214-L217 HydrophobicContact CB-CD1 4.23Å; A214-L217 HydrophobicContact CB-CG 4.49Å; A214-L217 WeakPolarHBondContact O-CB 3.47Å; A214-L217 PolarHBondContact O-N 2.79Å; P215-L217 VanDerWaalsContact C-N 3.25Å; P215-L217 PolarHBondContact O-N 3.42Å; L217-H219 VanDerWaalsContact C-N 3.33Å; L217-H224 HydrophobicContact CD2-CB 4.29Å; L217-H224 WeakPolarHBondContact CD2-CD2 3.43Å; L217-V228 HydrophobicContact CD1-CG1 4.3Å; L217-V228 HydrophobicContact CD2-CG1 4.43Å; L217-V228 HydrophobicContact CG-CG1 4.29Å
218	F	77.5	Confident	76.9	Confident	50 Å²	50	51.7 Å²	51.7	22%	0.219	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-80	-17.9	171.9	-64.1	-91.2	0	0	0	112.5	L210 L213 P215 E216 F252 S256 I259 Q260	L210-F218 HydrophobicContact CD1-CE1 3.75Å; L210-F218 HydrophobicContact CD1-CZ 3.69Å; L213-F218 HydrophobicContact CB-CE2 4.01Å; L213-F218 HydrophobicContact CB-CZ 4.18Å; L213-F218 HydrophobicContact CD1-CZ 4.48Å; P215-F218 PolarHBondContact O-N 3.22Å; E216-F218 PolarHBondContact O-N 3.13Å; E216-F218 VanDerWaalsContact O-N 3.11Å; F218-F252 HydrophobicContact CE1-CZ 4.32Å; F218-S256 VanDerWaalsContact CD1-OG 3.29Å; F218-S256 WeakPolarHBondContact CD1-OG 3.21Å; F218-S256 VanDerWaalsContact CE1-OG 3.24Å; F218-S256 WeakPolarHBondContact CE1-OG 3.41Å; F218-I259 HydrophobicContact CD2-CG2 4.3Å; F218-I259 HydrophobicContact CE2-CB 4.33Å; F218-I259 HydrophobicContact CE2-CD1 4.37Å; F218-I259 HydrophobicContact CE2-CG2 3.57Å; F218-I259 HydrophobicContact CZ-CD1 4.08Å; F218-I259 HydrophobicContact CZ-CG2 4.26Å; F218-Q260 HydrophobicContact CG-CG 4.48Å
219	H	74.1	Confident	79.2	Confident	96 Å²	96	49.9 Å²	49.9	44%	0.444	25%	0.252	S	S	.	.			trans	-99.2	103.7	-178.3	-57.8	84.3	0	0	0	109.4	P215 E216 L217 E221 C222	P215-H219 PolarHBondContact O-CE1 3.46Å; P215-H219 PolarHBondContact O-ND1 2.81Å; E216-H219 WeakPolarHBondContact O-CB 3.34Å; E216-H219 PolarHBondContact O-N 2.72Å; L217-H219 VanDerWaalsContact C-N 3.33Å; H219-E221 PolarHBondContact O-N 3.33Å; H219-C222 PolarHBondContact O-N 3.27Å
220	L	59.1	Low	80.9	Confident	156 Å²	156	47.7 Å²	47.7	82%	0.817	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-14.9	-177.4	-68.8	170.6	0	0	0	114.9
221	E	56.6	Low	81.7	Confident	187 Å²	187	46.2 Å²	46.2	87%	0.874	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.2	-173.6	-59.4	-170.1	161.4	0	0	113.9	H219	H219-E221 PolarHBondContact O-N 3.33Å
222	C	55.7	Low	82.1	Confident	54 Å²	54	45.7 Å²	45.7	37%	0.365	23%	0.229	S	C	.	.			trans	-91.4	133.3	-175.1	-165.7	0	0	0	0	111.7	H219 H224	H219-C222 PolarHBondContact O-N 3.27Å; C222-H224 PolarHBondContact O-CE1 3.03Å; C222-H224 VanDerWaalsContact O-CE1 3.23Å; C222-H224 PolarHBondContact O-N 3.25Å; C222-H224 PolarHBondContact O-NE2 2.78Å
223	V	60	Low	82.5	Confident	86 Å²	86	45.2 Å²	45.2	52%	0.521	23%	0.227	S	C	.	.			trans	-76.8	112.8	165	177.8	0	0	0	0	106.8	R202	R202-V223 HydrophobicContact CG-CG2 4.2Å
224	H	67.3	Low	83	Confident	43 Å²	43	44.2 Å²	44.2	20%	0.199	22%	0.222	C	C	.	.			trans	-83	140.3	175.6	-41	-60.8	0	0	0	110	E216 L217 C222 V228	E216-H224 HydrophobicContact CG-CB 4.44Å; E216-H224 WeakPolarHBondContact CG-ND1 3.19Å; E216-H224 PolarHBondContact O-CE1 3.22Å; L217-H224 HydrophobicContact CD2-CB 4.29Å; L217-H224 WeakPolarHBondContact CD2-CD2 3.43Å; C222-H224 PolarHBondContact O-CE1 3.03Å; C222-H224 VanDerWaalsContact O-CE1 3.23Å; C222-H224 PolarHBondContact O-N 3.25Å; C222-H224 PolarHBondContact O-NE2 2.78Å; H224-V228 HydrophobicContact CB-CG1 3.87Å
225	D	82.4	Confident	83.3	Confident	38 Å²	38	44.2 Å²	44.2	20%	0.203	22%	0.222	C	C	.	.			trans	-106.6	-170.9	176.3	64.6	13	0	0	0	110.5	I170 R227 V228	I170-D225 VanDerWaalsContact CD1-C 3.49Å; D225-R227 PolarHBondContact O-N 2.85Å; D225-R227 WeakPolarHBondContact OD1-CB 2.97Å; D225-R227 WeakPolarHBondContact OD1-CG 3.45Å; D225-R227 PolarHBondContact OD1-N 3.35Å; D225-R227 IonicContact OD2-CZ 3.68Å; D225-R227 IonicContact OD2-NE 2.87Å; D225-R227 IonicContact OD2-NH1 2.86Å; D225-R227 PolarHBondContact OD2-NH1 3.09Å; D225-V228 WeakPolarHBondContact O-CG2 3.48Å; D225-V228 PolarHBondContact O-N 2.81Å
226	H	90	Very high	83.7	Confident	62 Å²	62	44 Å²	44	29%	0.287	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.2	-179.7	66	-90.2	0	0	0	113.9	H165 I170 V228 D229	H165-H226 HydrophobicContact CB-CB 4.48Å; H165-H226 AromaticContact CE1-CD2 3.77Å; H165-H226 PolarHBondContact CE1-O 3.07Å; H165-H226 AromaticContact ND1-CD2 3.34Å; H165-H226 PolarHBondContact ND1-CD2 3.43Å; H165-H226 VanDerWaalsContact ND1-CD2 3.34Å; H165-H226 AromaticContact ND1-CG 3.7Å; I170-H226 HydrophobicContact CD1-CB 4.23Å; I170-H226 HydrophobicContact CG1-CB 3.99Å; H226-V228 PolarHBondContact O-N 2.72Å; H226-D229 PolarHBondContact O-N 3.28Å
227	R	94.1	Very high	84.2	Confident	72 Å²	72	43.3 Å²	43.3	27%	0.272	22%	0.217	S	C	.	.	H	α-helix	trans	-73.7	-8.9	-177.1	-54.2	-176.4	-179.3	121.6	-14.5	113.4	D225 D229 I230 W231 S286 R289	D225-R227 PolarHBondContact O-N 2.85Å; D225-R227 WeakPolarHBondContact OD1-CB 2.97Å; D225-R227 WeakPolarHBondContact OD1-CG 3.45Å; D225-R227 PolarHBondContact OD1-N 3.35Å; D225-R227 IonicContact OD2-CZ 3.68Å; D225-R227 IonicContact OD2-NE 2.87Å; D225-R227 IonicContact OD2-NH1 2.86Å; D225-R227 PolarHBondContact OD2-NH1 3.09Å; R227-D229 VanDerWaalsContact C-N 3.26Å; R227-D229 PolarHBondContact O-N 3.25Å; R227-I230 HydrophobicContact CB-CD1 4.17Å; R227-I230 HydrophobicContact CG-CD1 4.13Å; R227-I230 WeakPolarHBondContact O-CB 3.49Å; R227-I230 PolarHBondContact O-N 3.29Å; R227-W231 PolarHBondContact O-N 2.95Å; R227-S286 WeakPolarHBondContact CD-O 3.49Å; R227-R289 PolarHBondContact O-NH1 3.12Å
228	V	92.7	Very high	85	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-36.3	168.2	-61.8	0	0	0	0	111.5	I170 R172 A214 E216 L217 H224 D225 H226 I230 W231 S232	I170-V228 HydrophobicContact CG2-CG2 3.65Å; R172-V228 HydrophobicContact CG-CG2 4.16Å; A214-V228 HydrophobicContact CB-CB 4.27Å; A214-V228 HydrophobicContact CB-CG1 4.1Å; E216-V228 HydrophobicContact CG-CG1 4.28Å; E216-V228 WeakPolarHBondContact OE1-CG1 3.33Å; L217-V228 HydrophobicContact CD1-CG1 4.3Å; L217-V228 HydrophobicContact CD2-CG1 4.43Å; L217-V228 HydrophobicContact CG-CG1 4.29Å; H224-V228 HydrophobicContact CB-CG1 3.87Å; D225-V228 WeakPolarHBondContact O-CG2 3.48Å; D225-V228 PolarHBondContact O-N 2.81Å; H226-V228 PolarHBondContact O-N 2.72Å; V228-I230 VanDerWaalsContact C-N 3.25Å; V228-I230 PolarHBondContact O-N 3.35Å; V228-W231 WeakPolarHBondContact O-CB 3.4Å; V228-W231 PolarHBondContact O-N 2.62Å; V228-S232 PolarHBondContact O-N 3.46Å; V228-S232 VanDerWaalsContact O-N 3.13Å; V228-S232 PolarHBondContact O-OG 3.19Å
229	D	95.4	Very high	86	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-30.9	177.6	-68	-23.2	0	0	0	111.4	L161 H165 I170 H171 R172 H226 R227 S232 L233	L161-D229 HydrophobicContact CD1-CB 4.22Å; L161-D229 HydrophobicContact CD2-CB 3.95Å; H165-D229 IonicContact CD2-OD2 2.69Å; H165-D229 IonicContact CE1-OD2 3.35Å; H165-D229 IonicContact NE2-OD2 2.72Å; H165-D229 PolarHBondContact NE2-OD2 3.25Å; I170-D229 WeakPolarHBondContact CG2-OD2 3.21Å; H171-D229 PolarHBondContact N-OD1 3.25Å; H171-D229 PolarHBondContact N-OD2 3.45Å; R172-D229 WeakPolarHBondContact CA-OD1 3.49Å; R172-D229 PolarHBondContact N-OD1 2.85Å; H226-D229 PolarHBondContact O-N 3.28Å; R227-D229 VanDerWaalsContact C-N 3.26Å; R227-D229 PolarHBondContact O-N 3.25Å; D229-S232 PolarHBondContact O-N 3.2Å; D229-L233 WeakPolarHBondContact O-CB 3.45Å; D229-L233 PolarHBondContact O-N 2.99Å
230	I	97.8	Very high	87.1	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-68.7	-40.9	177.1	-54.8	176.1	0	0	0	110.4	R227 V228 L233 G234 M281 R289 V290 L292	R227-I230 HydrophobicContact CB-CD1 4.17Å; R227-I230 HydrophobicContact CG-CD1 4.13Å; R227-I230 WeakPolarHBondContact O-CB 3.49Å; R227-I230 PolarHBondContact O-N 3.29Å; V228-I230 VanDerWaalsContact C-N 3.25Å; V228-I230 PolarHBondContact O-N 3.35Å; I230-L233 PolarHBondContact O-N 2.97Å; I230-G234 PolarHBondContact O-N 3.34Å; I230-M281 HydrophobicContact CG2-CB 4.13Å; I230-M281 HydrophobicContact CG2-CG 3.85Å; I230-M281 HydrophobicContact CG2-SD 4.41Å; I230-R289 HydrophobicContact CG2-CB 4.13Å; I230-V290 WeakPolarHBondContact CD1-O 3.36Å; I230-V290 HydrophobicContact CG2-CG1 4.4Å; I230-L292 HydrophobicContact CD1-CG 4.27Å; I230-L292 HydrophobicContact CG1-CD2 3.96Å; I230-L292 HydrophobicContact CG1-CG 3.99Å
231	W	96.9	Very high	89	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.4	-52.9	173.3	174	-85	0	0	0	110.9	L213 A214 P215 R227 V228 L233 G234 I235 F247 I259 A262 L282	L213-W231 PolarHBondContact O-NE1 3.26Å; A214-W231 VanDerWaalsContact CA-CD1 3.5Å; A214-W231 HydrophobicContact CB-CB 3.84Å; A214-W231 HydrophobicContact CB-CD2 4.25Å; A214-W231 HydrophobicContact CB-CG 3.71Å; P215-W231 HydrophobicContact CG-CE3 4.32Å; P215-W231 HydrophobicContact CG-CH2 4.06Å; P215-W231 HydrophobicContact CG-CZ3 3.94Å; R227-W231 PolarHBondContact O-N 2.95Å; V228-W231 WeakPolarHBondContact O-CB 3.4Å; V228-W231 PolarHBondContact O-N 2.62Å; W231-L233 VanDerWaalsContact C-N 3.26Å; W231-L233 PolarHBondContact O-N 2.69Å; W231-G234 WeakPolarHBondContact O-CA 2.98Å; W231-G234 PolarHBondContact O-N 3.49Å; W231-I235 HydrophobicContact CZ2-CD1 4.37Å; W231-I235 WeakPolarHBondContact O-CG1 3.27Å; W231-I235 PolarHBondContact O-N 3.41Å; W231-F247 AromaticContact CH2-CE2 3.69Å; W231-F247 HydrophobicContact CH2-CE2 3.69Å; W231-F247 AromaticContact CH2-CZ 3.8Å; W231-F247 HydrophobicContact CH2-CZ 3.8Å; W231-F247 HydrophobicContact CZ2-CD2 4.09Å; W231-F247 AromaticContact CZ2-CE2 3.26Å; W231-F247 HydrophobicContact CZ2-CE2 3.26Å; W231-F247 AromaticContact CZ2-CZ 3.88Å; W231-F247 HydrophobicContact CZ2-CZ 3.88Å; W231-I259 HydrophobicContact CZ2-CG2 3.85Å; W231-A262 HydrophobicContact CH2-CB 3.97Å; W231-A262 HydrophobicContact CZ3-CB 4.17Å; W231-L282 HydrophobicContact CD2-CD2 3.84Å; W231-L282 HydrophobicContact CE3-CB 4.46Å; W231-L282 HydrophobicContact CE3-CD2 3.92Å; W231-L282 HydrophobicContact CG-CD2 4.28Å; W231-L282 HydrophobicContact CZ3-CB 4.22Å; W231-L282 HydrophobicContact CZ3-CD2 4.3Å; W231-L282 WeakPolarHBondContact O-CD2 3.5Å
232	S	96.5	Very high	90.9	Very high	6 Å²	6	21 Å²	21	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-33.8	-179.3	-55	0	0	0	0	112.5	I174 Y212 V228 D229 G234 I235 L236	I174-S232 WeakPolarHBondContact O-CB 3.21Å; Y212-S232 PolarHBondContact O-OG 2.86Å; V228-S232 PolarHBondContact O-N 3.46Å; V228-S232 VanDerWaalsContact O-N 3.13Å; V228-S232 PolarHBondContact O-OG 3.19Å; D229-S232 PolarHBondContact O-N 3.2Å; S232-G234 VanDerWaalsContact C-N 3.34Å; S232-I235 PolarHBondContact O-N 3.02Å; S232-L236 WeakPolarHBondContact O-CB 3.13Å; S232-L236 PolarHBondContact O-N 3.08Å
233	L	98.3	Very high	92.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64	-37.3	170.3	-178.3	61.1	0	0	0	112.1	L157 L161 D229 I230 W231 L236 T237 M281 L292 I295	L157-L233 HydrophobicContact CB-CD1 3.82Å; L157-L233 HydrophobicContact CD1-CD1 3.86Å; L161-L233 HydrophobicContact CD1-CB 4.41Å; L161-L233 HydrophobicContact CD1-CD2 4.28Å; D229-L233 WeakPolarHBondContact O-CB 3.45Å; D229-L233 PolarHBondContact O-N 2.99Å; I230-L233 PolarHBondContact O-N 2.97Å; W231-L233 VanDerWaalsContact C-N 3.26Å; W231-L233 PolarHBondContact O-N 2.69Å; L233-L236 PolarHBondContact O-N 3.05Å; L233-T237 WeakPolarHBondContact O-CB 3.44Å; L233-T237 PolarHBondContact O-N 3.11Å; L233-T237 PolarHBondContact O-OG1 3.26Å; L233-M281 HydrophobicContact CB-SD 4.16Å; L233-M281 HydrophobicContact CD2-SD 4.03Å; L233-M281 HydrophobicContact CG-SD 3.88Å; L233-L292 HydrophobicContact CD2-CD2 3.99Å; L233-I295 HydrophobicContact CD2-CD1 3.69Å
234	G	98.3	Very high	94.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-46.1	172.5	0	0	0	0	0	113	I230 W231 S232 T237 F238	I230-G234 PolarHBondContact O-N 3.34Å; W231-G234 WeakPolarHBondContact O-CA 2.98Å; W231-G234 PolarHBondContact O-N 3.49Å; S232-G234 VanDerWaalsContact C-N 3.34Å; G234-T237 PolarHBondContact O-N 3.24Å; G234-F238 PolarHBondContact O-N 3.21Å; G234-F238 VanDerWaalsContact O-N 3.07Å
235	I	97.6	Very high	95.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-50.1	175.7	-55.6	-61.5	0	0	0	110.3	Y212 W231 S232 T237 F238 E239 L245 P246 F247 L282	Y212-I235 HydrophobicContact CD1-CB 3.75Å; Y212-I235 HydrophobicContact CD1-CG2 3.51Å; Y212-I235 HydrophobicContact CE1-CB 4.06Å; Y212-I235 HydrophobicContact CE1-CG2 3.53Å; Y212-I235 HydrophobicContact CG-CB 4.48Å; Y212-I235 HydrophobicContact CG-CG2 4.03Å; W231-I235 HydrophobicContact CZ2-CD1 4.37Å; W231-I235 WeakPolarHBondContact O-CG1 3.27Å; W231-I235 PolarHBondContact O-N 3.41Å; S232-I235 PolarHBondContact O-N 3.02Å; I235-T237 VanDerWaalsContact C-N 3.29Å; I235-T237 PolarHBondContact O-N 3.35Å; I235-F238 WeakPolarHBondContact O-CB 3.22Å; I235-F238 PolarHBondContact O-N 3.37Å; I235-E239 PolarHBondContact O-N 3.24Å; I235-L245 HydrophobicContact CG2-CD2 3.75Å; I235-P246 HydrophobicContact CD1-CG 3.5Å; I235-P246 VanDerWaalsContact CD1-CG 3.5Å; I235-P246 HydrophobicContact CG2-CG 4.22Å; I235-F247 HydrophobicContact CD1-CD2 3.64Å; I235-F247 HydrophobicContact CD1-CE2 3.48Å; I235-F247 VanDerWaalsContact CD1-CE2 3.48Å; I235-L282 HydrophobicContact CD1-CD1 4.1Å; I235-L282 HydrophobicContact CD1-CD2 3.62Å; I235-L282 HydrophobicContact CG1-CD2 4.04Å
236	L	98.1	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-37.6	179.1	178.9	58.6	0	0	0	112.1	L135 I139 L157 I174 P176 I179 Y212 S232 L233 E239 M240	L135-L236 HydrophobicContact CD2-CD1 4.06Å; I139-L236 HydrophobicContact CD1-CD1 4.47Å; L157-L236 HydrophobicContact CD1-CD2 3.61Å; I174-L236 HydrophobicContact CG2-CD2 4.14Å; P176-L236 HydrophobicContact CB-CD1 4.35Å; P176-L236 HydrophobicContact CG-CD1 3.59Å; I179-L236 HydrophobicContact CG1-CD2 4.15Å; Y212-L236 HydrophobicContact CE1-CB 4.31Å; S232-L236 WeakPolarHBondContact O-CB 3.13Å; S232-L236 PolarHBondContact O-N 3.08Å; L233-L236 PolarHBondContact O-N 3.05Å; L236-E239 PolarHBondContact O-N 3.42Å; L236-M240 HydrophobicContact CD1-CG 4.17Å; L236-M240 HydrophobicContact CG-CE 4.16Å; L236-M240 HydrophobicContact CG-CG 4.48Å; L236-M240 HydrophobicContact CG-SD 4.43Å; L236-M240 WeakPolarHBondContact O-CB 3.36Å; L236-M240 VanDerWaalsContact O-CG 3.25Å; L236-M240 WeakPolarHBondContact O-CG 3.37Å; L236-M240 PolarHBondContact O-N 3.13Å
237	T	98.6	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.6	-44.5	176.7	-57.4	0	0	0	0	111.4	V154 L233 G234 I235 L241 I278 M281 W300	V154-T237 HydrophobicContact CG2-CG2 3.74Å; V154-T237 WeakPolarHBondContact CG2-OG1 3.32Å; L233-T237 WeakPolarHBondContact O-CB 3.44Å; L233-T237 PolarHBondContact O-N 3.11Å; L233-T237 PolarHBondContact O-OG1 3.26Å; G234-T237 PolarHBondContact O-N 3.24Å; I235-T237 VanDerWaalsContact C-N 3.29Å; I235-T237 PolarHBondContact O-N 3.35Å; T237-L241 HydrophobicContact CG2-CD1 4.07Å; T237-L241 WeakPolarHBondContact O-CG 3.41Å; T237-L241 PolarHBondContact O-N 2.8Å; T237-I278 HydrophobicContact CG2-CD1 4.08Å; T237-I278 HydrophobicContact CG2-CG1 3.72Å; T237-M281 HydrophobicContact CG2-CE 4.39Å; T237-W300 HydrophobicContact CG2-CH2 4.22Å; T237-W300 HydrophobicContact CG2-CZ3 4.23Å
238	F	98.3	Very high	95.9	Very high	9 Å²	9	19 Å²	19	4%	0.039	10%	0.104	C	C	.	.	H	α-helix	trans	-60.9	-47.2	176.1	-176.6	-79.2	0	0	0	111	G234 I235 L241 T242 H244 P246 V264 Y266 I278	G234-F238 PolarHBondContact O-N 3.21Å; G234-F238 VanDerWaalsContact O-N 3.07Å; I235-F238 WeakPolarHBondContact O-CB 3.22Å; I235-F238 PolarHBondContact O-N 3.37Å; F238-L241 PolarHBondContact O-N 2.94Å; F238-T242 HydrophobicContact CD1-CG2 4.27Å; F238-T242 WeakPolarHBondContact CD1-OG1 3.2Å; F238-T242 HydrophobicContact CE1-CG2 4.02Å; F238-T242 VanDerWaalsContact CE1-OG1 3.25Å; F238-T242 WeakPolarHBondContact CE1-OG1 3.41Å; F238-T242 HydrophobicContact CE2-CG2 4.44Å; F238-T242 HydrophobicContact CZ-CG2 4.12Å; F238-T242 WeakPolarHBondContact O-CB 3.45Å; F238-T242 WeakPolarHBondContact O-CG2 3.44Å; F238-T242 PolarHBondContact O-N 3.26Å; F238-T242 PolarHBondContact O-OG1 2.86Å; F238-H244 WeakPolarHBondContact CD1-O 3.45Å; F238-H244 WeakPolarHBondContact CE1-O 3.48Å; F238-P246 HydrophobicContact CB-CB 4.48Å; F238-P246 HydrophobicContact CB-CG 4.29Å; F238-P246 HydrophobicContact CD1-CB 3.8Å; F238-P246 HydrophobicContact CD1-CG 4.08Å; F238-P246 HydrophobicContact CD2-CB 4.01Å; F238-P246 HydrophobicContact CE1-CB 3.95Å; F238-P246 HydrophobicContact CE2-CB 4.12Å; F238-P246 HydrophobicContact CG-CB 3.84Å; F238-P246 HydrophobicContact CG-CG 4.12Å; F238-P246 HydrophobicContact CZ-CB 4.1Å; F238-V264 HydrophobicContact CD2-CG1 4.28Å; F238-V264 HydrophobicContact CE2-CG1 4.02Å; F238-Y266 HydrophobicContact CD2-CD1 4.08Å; F238-Y266 HydrophobicContact CD2-CE1 4.07Å; F238-Y266 AromaticContact CE2-CD1 3.86Å; F238-Y266 HydrophobicContact CE2-CD1 3.86Å; F238-Y266 HydrophobicContact CE2-CE1 4.22Å; F238-I278 HydrophobicContact CB-CD1 4.22Å; F238-I278 HydrophobicContact CB-CG2 4.31Å; F238-I278 HydrophobicContact CD2-CD1 4.41Å; F238-I278 HydrophobicContact CD2-CG2 4.45Å
239	E	97.6	Very high	95.5	Very high	26 Å²	26	20 Å²	20	12%	0.121	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-43.3	-179.9	-175.9	-168.6	-160.4	0	0	112.4	I139 P176 Y212 I235 L236 L241 T242 G243 H244	I139-E239 HydrophobicContact CD1-CG 4.31Å; I139-E239 HydrophobicContact CG2-CG 4.5Å; P176-E239 WeakPolarHBondContact CG-OE2 3.42Å; Y212-E239 PolarHBondContact OH-OE1 3.08Å; Y212-E239 PolarHBondContact OH-OE2 3.14Å; I235-E239 PolarHBondContact O-N 3.24Å; L236-E239 PolarHBondContact O-N 3.42Å; E239-L241 PolarHBondContact O-N 3.33Å; E239-T242 PolarHBondContact O-N 2.86Å; E239-G243 VanDerWaalsContact O-CA 3.31Å; E239-G243 WeakPolarHBondContact O-CA 3.34Å; E239-G243 PolarHBondContact O-N 3.49Å; E239-H244 VanDerWaalsContact CA-O 3.27Å; E239-H244 WeakPolarHBondContact CA-O 3.38Å
240	M	98.4	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.3	-33.9	175.3	-77.4	-171.8	-59	0	0	112.5	L135 I139 F145 A150 Y153 V154 L236	L135-M240 HydrophobicContact CD2-SD 4.14Å; I139-M240 HydrophobicContact CD1-CG 4.04Å; F145-M240 HydrophobicContact CD2-CB 3.88Å; F145-M240 HydrophobicContact CD2-CG 3.88Å; F145-M240 HydrophobicContact CD2-SD 4.24Å; F145-M240 HydrophobicContact CE2-CB 4.4Å; F145-M240 HydrophobicContact CE2-CG 3.93Å; F145-M240 HydrophobicContact CE2-SD 4.31Å; F145-M240 PolarHBondContact N-O 3.39Å; A150-M240 HydrophobicContact CB-CB 4.32Å; Y153-M240 HydrophobicContact CD2-SD 3.79Å; Y153-M240 HydrophobicContact CG-SD 4.39Å; V154-M240 HydrophobicContact CG2-CE 3.69Å; L236-M240 HydrophobicContact CD1-CG 4.17Å; L236-M240 HydrophobicContact CG-CE 4.16Å; L236-M240 HydrophobicContact CG-CG 4.48Å; L236-M240 HydrophobicContact CG-SD 4.43Å; L236-M240 WeakPolarHBondContact O-CB 3.36Å; L236-M240 VanDerWaalsContact O-CG 3.25Å; L236-M240 WeakPolarHBondContact O-CG 3.37Å; L236-M240 PolarHBondContact O-N 3.13Å
241	L	98.2	Very high	94.3	Very high	17 Å²	17	31.8 Å²	31.8	9%	0.089	17%	0.174	C	C	.	.	H	α-helix	trans	-88.4	-21.7	-176.8	-73.7	168.4	0	0	0	114.1	A150 T237 F238 E239 L270 A274 I278 W300	A150-L241 HydrophobicContact CB-CD2 3.58Å; A150-L241 HydrophobicContact CB-CG 3.93Å; T237-L241 HydrophobicContact CG2-CD1 4.07Å; T237-L241 WeakPolarHBondContact O-CG 3.41Å; T237-L241 PolarHBondContact O-N 2.8Å; F238-L241 PolarHBondContact O-N 2.94Å; E239-L241 PolarHBondContact O-N 3.33Å; L241-L270 HydrophobicContact CB-CD1 3.67Å; L241-L270 HydrophobicContact CD1-CD1 3.9Å; L241-L270 HydrophobicContact CG-CD1 4.3Å; L241-A274 HydrophobicContact CD1-CB 3.68Å; L241-I278 HydrophobicContact CD1-CD1 4.2Å; L241-W300 HydrophobicContact CD1-CH2 4Å; L241-W300 HydrophobicContact CD1-CZ2 3.82Å; L241-W300 HydrophobicContact CD2-CZ2 3.98Å; L241-W300 HydrophobicContact CG-CZ2 4.39Å
242	T	96.9	Very high	93.5	Very high	22 Å²	22	37.7 Å²	37.7	14%	0.135	20%	0.199	C	C	.	.	H	α-helix	trans	-121.4	-18.5	-171.9	64.7	0	0	0	0	113.9	F238 E239 H244 P267 L270	F238-T242 HydrophobicContact CD1-CG2 4.27Å; F238-T242 WeakPolarHBondContact CD1-OG1 3.2Å; F238-T242 HydrophobicContact CE1-CG2 4.02Å; F238-T242 VanDerWaalsContact CE1-OG1 3.25Å; F238-T242 WeakPolarHBondContact CE1-OG1 3.41Å; F238-T242 HydrophobicContact CE2-CG2 4.44Å; F238-T242 HydrophobicContact CZ-CG2 4.12Å; F238-T242 WeakPolarHBondContact O-CB 3.45Å; F238-T242 WeakPolarHBondContact O-CG2 3.44Å; F238-T242 PolarHBondContact O-N 3.26Å; F238-T242 PolarHBondContact O-OG1 2.86Å; E239-T242 PolarHBondContact O-N 2.86Å; T242-H244 PolarHBondContact O-CD2 2.97Å; T242-H244 VanDerWaalsContact O-CD2 3.27Å; T242-H244 PolarHBondContact O-N 3Å; T242-H244 PolarHBondContact OG1-N 2.98Å; T242-H244 PolarHBondContact OG1-O 3.36Å; T242-H244 VanDerWaalsContact OG1-O 3.14Å; T242-P267 HydrophobicContact CG2-CG 4.1Å; T242-L270 HydrophobicContact CG2-CD1 4.3Å
243	G	95.2	Very high	93	Very high	24 Å²	24	42.3 Å²	42.3	25%	0.247	22%	0.221	C	C	.	.	S	Bend	trans	75.4	3.8	-171.4	0	0	0	0	0	114.5	G143 E239	G143-G243 WeakPolarHBondContact O-CA 3.25Å; E239-G243 VanDerWaalsContact O-CA 3.31Å; E239-G243 WeakPolarHBondContact O-CA 3.34Å; E239-G243 PolarHBondContact O-N 3.49Å
244	H	93.3	Very high	92.5	Very high	136 Å²	136	46 Å²	46	63%	0.63	24%	0.237	S	C	*	.	S	Bend	trans	-132.1	156.6	-174.3	-60.2	-57.4	0	0	0	111.3	F238 E239 T242	F238-H244 WeakPolarHBondContact CD1-O 3.45Å; F238-H244 WeakPolarHBondContact CE1-O 3.48Å; E239-H244 VanDerWaalsContact CA-O 3.27Å; E239-H244 WeakPolarHBondContact CA-O 3.38Å; T242-H244 PolarHBondContact O-CD2 2.97Å; T242-H244 VanDerWaalsContact O-CD2 3.27Å; T242-H244 PolarHBondContact O-N 3Å; T242-H244 PolarHBondContact OG1-N 2.98Å; T242-H244 PolarHBondContact OG1-O 3.36Å; T242-H244 VanDerWaalsContact OG1-O 3.14Å
245	L	93.8	Very high	91.9	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.215	24%	0.241	C	C	.	.			trans	-81.6	142.5	174.2	-69.7	162.7	0	0	0	110.2	N211 Y212 I235 F247	N211-L245 HydrophobicContact CB-CD1 3.72Å; N211-L245 HydrophobicContact CB-CD2 4.16Å; N211-L245 HydrophobicContact CB-CG 4.39Å; Y212-L245 HydrophobicContact CE1-CD2 4.48Å; Y212-L245 HydrophobicContact CE2-CD2 3.85Å; I235-L245 HydrophobicContact CG2-CD2 3.75Å; L245-F247 VanDerWaalsContact C-N 3.26Å; L245-F247 PolarHBondContact O-N 3.44Å
246	P	94.6	Very high	91.3	Very high	17 Å²	17	47 Å²	47	11%	0.11	24%	0.243	C	C	.	.	S	Bend	trans	-69.2	-26.9	178	27.4	-33	0	0	0	112.5	I235 F238 V264 L282	I235-P246 HydrophobicContact CD1-CG 3.5Å; I235-P246 VanDerWaalsContact CD1-CG 3.5Å; I235-P246 HydrophobicContact CG2-CG 4.22Å; F238-P246 HydrophobicContact CB-CB 4.48Å; F238-P246 HydrophobicContact CB-CG 4.29Å; F238-P246 HydrophobicContact CD1-CB 3.8Å; F238-P246 HydrophobicContact CD1-CG 4.08Å; F238-P246 HydrophobicContact CD2-CB 4.01Å; F238-P246 HydrophobicContact CE1-CB 3.95Å; F238-P246 HydrophobicContact CE2-CB 4.12Å; F238-P246 HydrophobicContact CG-CB 3.84Å; F238-P246 HydrophobicContact CG-CG 4.12Å; F238-P246 HydrophobicContact CZ-CB 4.1Å; P246-V264 HydrophobicContact CB-CG1 3.86Å; P246-V264 HydrophobicContact CB-CG2 4.48Å; P246-L282 HydrophobicContact CG-CD1 4.36Å
247	F	92.7	Very high	90.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	26%	0.262	C	S	.	.	S	Bend	trans	-119.7	95.5	176.7	-49.3	-60.7	0	0	0	108.6	N211 W231 I235 L245 K258 I259 V264	N211-F247 PolarHBondContact ND2-O 2.89Å; W231-F247 AromaticContact CH2-CE2 3.69Å; W231-F247 HydrophobicContact CH2-CE2 3.69Å; W231-F247 AromaticContact CH2-CZ 3.8Å; W231-F247 HydrophobicContact CH2-CZ 3.8Å; W231-F247 HydrophobicContact CZ2-CD2 4.09Å; W231-F247 AromaticContact CZ2-CE2 3.26Å; W231-F247 HydrophobicContact CZ2-CE2 3.26Å; W231-F247 AromaticContact CZ2-CZ 3.88Å; W231-F247 HydrophobicContact CZ2-CZ 3.88Å; I235-F247 HydrophobicContact CD1-CD2 3.64Å; I235-F247 HydrophobicContact CD1-CE2 3.48Å; I235-F247 VanDerWaalsContact CD1-CE2 3.48Å; L245-F247 VanDerWaalsContact C-N 3.26Å; L245-F247 PolarHBondContact O-N 3.44Å; F247-K258 HydrophobicContact CB-CB 4.3Å; F247-K258 HydrophobicContact CD1-CB 3.89Å; F247-K258 HydrophobicContact CG-CB 4.46Å; F247-I259 HydrophobicContact CB-CG1 3.81Å; F247-I259 HydrophobicContact CD2-CG1 3.66Å; F247-I259 HydrophobicContact CE2-CG1 4.39Å; F247-I259 HydrophobicContact CG-CG1 3.77Å; F247-V264 HydrophobicContact CE1-CG2 3.54Å; F247-V264 HydrophobicContact CE2-CG2 4.35Å; F247-V264 HydrophobicContact CZ-CG2 3.37Å
248	D	84.9	Confident	90.6	Very high	96 Å²	96	55.3 Å²	55.3	51%	0.513	28%	0.281	S	S	.	.			trans	-120.8	158.1	176	-162.9	15.4	0	0	0	110.6	K258	D248-K258 WeakPolarHBondContact O-CD 3.25Å; D248-K258 PolarHBondContact O-NZ 2.89Å
249	G	83.7	Confident	90.3	Very high	24 Å²	24	54.9 Å²	54.9	25%	0.247	28%	0.279	C	S	.	.			trans	179.7	164.9	-176.7	0	0	0	0	0	112.4
250	E	83	Confident	89.9	Confident	187 Å²	187	56.2 Å²	56.2	87%	0.874	29%	0.285	S	S	*	.	S	Bend	trans	-82	-27.4	-178	-62.8	-173	172.1	0	0	111.4	E254	E250-E254 PolarHBondContact N-OE2 3.44Å
251	T	84.3	Confident	89.6	Confident	62 Å²	62	64.1 Å²	64.1	38%	0.38	32%	0.316	S	S	.	.	S	Bend	trans	-119.6	152.1	-176.3	71.8	0	0	0	0	112.7	Q253 E254 I255	T251-Q253 PolarHBondContact O-N 3.07Å; T251-E254 PolarHBondContact N-OE2 3.48Å; T251-E254 PolarHBondContact O-N 2.85Å; T251-E254 VanDerWaalsContact OG1-CG 3.27Å; T251-E254 WeakPolarHBondContact OG1-CG 3.21Å; T251-E254 PolarHBondContact OG1-N 3.42Å; T251-E254 PolarHBondContact OG1-OE1 3.29Å; T251-E254 VanDerWaalsContact OG1-OE1 3.11Å; T251-I255 WeakPolarHBondContact O-CG1 3.25Å; T251-I255 PolarHBondContact O-N 2.87Å; T251-I255 VanDerWaalsContact O-N 3.15Å
252	F	80.8	Confident	89.2	Confident	123 Å²	123	64.4 Å²	64.4	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-52.8	-40	172.1	175.3	-85.2	0	0	0	111.9	L210 F218 S256	L210-F252 HydrophobicContact CD1-CD2 4.06Å; L210-F252 HydrophobicContact CD1-CE2 3.52Å; L210-F252 HydrophobicContact CD1-CZ 4.18Å; L210-F252 HydrophobicContact CD2-CB 4.46Å; L210-F252 HydrophobicContact CD2-CD2 3.43Å; L210-F252 VanDerWaalsContact CD2-CD2 3.43Å; L210-F252 HydrophobicContact CD2-CE2 3.83Å; L210-F252 HydrophobicContact CD2-CG 4.11Å; L210-F252 HydrophobicContact CG-CD2 4.36Å; L210-F252 HydrophobicContact CG-CE2 4.3Å; F218-F252 HydrophobicContact CE1-CZ 4.32Å; F252-S256 WeakPolarHBondContact O-CB 3.4Å; F252-S256 PolarHBondContact O-N 2.87Å
253	Q	85.3	Confident	88.8	Confident	104 Å²	104	68.6 Å²	68.6	49%	0.486	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-46.4	-177.5	-173.8	63.6	18.5	0	0	111.3	T251 I255 S256 E257	T251-Q253 PolarHBondContact O-N 3.07Å; Q253-I255 PolarHBondContact O-N 2.68Å; Q253-S256 PolarHBondContact O-N 3.34Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.39Å; Q253-E257 PolarHBondContact NE2-OE1 3.31Å; Q253-E257 WeakPolarHBondContact O-CB 3.35Å; Q253-E257 WeakPolarHBondContact O-CG 3.17Å; Q253-E257 PolarHBondContact O-N 2.86Å
254	E	87.8	Confident	88.7	Confident	76 Å²	76	68.4 Å²	68.4	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-47.9	176.9	-75.9	159.1	-146.5	0	0	112.1	E250 T251 S256 E257 K258	E250-E254 PolarHBondContact N-OE2 3.44Å; T251-E254 PolarHBondContact N-OE2 3.48Å; T251-E254 PolarHBondContact O-N 2.85Å; T251-E254 VanDerWaalsContact OG1-CG 3.27Å; T251-E254 WeakPolarHBondContact OG1-CG 3.21Å; T251-E254 PolarHBondContact OG1-N 3.42Å; T251-E254 PolarHBondContact OG1-OE1 3.29Å; T251-E254 VanDerWaalsContact OG1-OE1 3.11Å; E254-S256 VanDerWaalsContact C-N 3.34Å; E254-S256 PolarHBondContact O-N 3.03Å; E254-E257 PolarHBondContact O-N 3.09Å; E254-K258 WeakPolarHBondContact O-CG 3.44Å; E254-K258 PolarHBondContact O-N 2.99Å
255	I	87.1	Confident	88.7	Confident	16 Å²	16	66.5 Å²	66.5	8%	0.082	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-45.4	179.1	-64	166.6	0	0	0	109.7	L210 T251 Q253 E257 K258 I259	L210-I255 HydrophobicContact CD2-CB 3.84Å; L210-I255 HydrophobicContact CD2-CD1 4.17Å; L210-I255 HydrophobicContact CD2-CG2 3.67Å; L210-I255 HydrophobicContact CG-CG2 3.81Å; T251-I255 WeakPolarHBondContact O-CG1 3.25Å; T251-I255 PolarHBondContact O-N 2.87Å; T251-I255 VanDerWaalsContact O-N 3.15Å; Q253-I255 PolarHBondContact O-N 2.68Å; I255-E257 PolarHBondContact O-N 3.22Å; I255-K258 PolarHBondContact O-N 3.2Å; I255-I259 HydrophobicContact CG2-CD1 3.7Å; I255-I259 HydrophobicContact CG2-CG1 4.43Å; I255-I259 VanDerWaalsContact O-CG1 3.27Å; I255-I259 WeakPolarHBondContact O-CG1 3.36Å; I255-I259 PolarHBondContact O-N 3.44Å
256	S	85.3	Confident	88.8	Confident	5 Å²	5	67.5 Å²	67.5	4%	0.035	34%	0.339	C	S	.	.	H	α-helix	trans	-62	-42.4	179.2	-175.1	0	0	0	0	112.2	F218 F252 Q253 E254 I259 Q260	F218-S256 VanDerWaalsContact CD1-OG 3.29Å; F218-S256 WeakPolarHBondContact CD1-OG 3.21Å; F218-S256 VanDerWaalsContact CE1-OG 3.24Å; F218-S256 WeakPolarHBondContact CE1-OG 3.41Å; F252-S256 WeakPolarHBondContact O-CB 3.4Å; F252-S256 PolarHBondContact O-N 2.87Å; Q253-S256 PolarHBondContact O-N 3.34Å; E254-S256 VanDerWaalsContact C-N 3.34Å; E254-S256 PolarHBondContact O-N 3.03Å; S256-I259 PolarHBondContact O-N 2.83Å; S256-Q260 WeakPolarHBondContact O-CB 3.48Å; S256-Q260 VanDerWaalsContact O-CG 3.22Å; S256-Q260 WeakPolarHBondContact O-CG 3.15Å; S256-Q260 PolarHBondContact O-N 3.41Å; S256-Q260 PolarHBondContact O-NE2 2.83Å; S256-Q260 PolarHBondContact OG-NE2 2.76Å
257	E	89.9	Confident	88.8	Confident	85 Å²	85	69.1 Å²	69.1	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-49.7	177	-76.3	174.6	-172.4	0	0	111.1	Q253 E254 I255 I259 Q260 Y261	Q253-E257 WeakPolarHBondContact CG-OE1 3.39Å; Q253-E257 PolarHBondContact NE2-OE1 3.31Å; Q253-E257 WeakPolarHBondContact O-CB 3.35Å; Q253-E257 WeakPolarHBondContact O-CG 3.17Å; Q253-E257 PolarHBondContact O-N 2.86Å; E254-E257 PolarHBondContact O-N 3.09Å; I255-E257 PolarHBondContact O-N 3.22Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 PolarHBondContact O-N 3.22Å; E257-Q260 PolarHBondContact O-N 3.35Å; E257-Q260 VanDerWaalsContact O-N 3.11Å; E257-Y261 HydrophobicContact CB-CD2 4.47Å; E257-Y261 HydrophobicContact CB-CE2 4.43Å; E257-Y261 WeakPolarHBondContact O-CD2 3.44Å; E257-Y261 PolarHBondContact O-N 2.75Å
258	K	91.5	Very high	88.8	Confident	91 Å²	91	77.4 Å²	77.4	40%	0.396	40%	0.395	S	S	.	.	H	α-helix	trans	-56	-44.2	176.9	-72.2	-179.7	-178.8	-178.9	0	112.2	F247 D248 E254 I255 Y261 A262 D263	F247-K258 HydrophobicContact CB-CB 4.3Å; F247-K258 HydrophobicContact CD1-CB 3.89Å; F247-K258 HydrophobicContact CG-CB 4.46Å; D248-K258 WeakPolarHBondContact O-CD 3.25Å; D248-K258 PolarHBondContact O-NZ 2.89Å; E254-K258 WeakPolarHBondContact O-CG 3.44Å; E254-K258 PolarHBondContact O-N 2.99Å; I255-K258 PolarHBondContact O-N 3.2Å; K258-Y261 PolarHBondContact O-N 3.11Å; K258-A262 PolarHBondContact O-N 3.21Å; K258-D263 PolarHBondContact O-N 3.23Å
259	I	91.6	Very high	89.2	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-47.5	175.6	-70.3	167.2	0	0	0	111.2	L210 L213 P215 F218 W231 F247 I255 S256 E257 Y261 A262	L210-I259 WeakPolarHBondContact O-CD1 3.33Å; L213-I259 WeakPolarHBondContact O-CG2 3.24Å; P215-I259 HydrophobicContact CB-CG2 4.17Å; F218-I259 HydrophobicContact CD2-CG2 4.3Å; F218-I259 HydrophobicContact CE2-CB 4.33Å; F218-I259 HydrophobicContact CE2-CD1 4.37Å; F218-I259 HydrophobicContact CE2-CG2 3.57Å; F218-I259 HydrophobicContact CZ-CD1 4.08Å; F218-I259 HydrophobicContact CZ-CG2 4.26Å; W231-I259 HydrophobicContact CZ2-CG2 3.85Å; F247-I259 HydrophobicContact CB-CG1 3.81Å; F247-I259 HydrophobicContact CD2-CG1 3.66Å; F247-I259 HydrophobicContact CE2-CG1 4.39Å; F247-I259 HydrophobicContact CG-CG1 3.77Å; I255-I259 HydrophobicContact CG2-CD1 3.7Å; I255-I259 HydrophobicContact CG2-CG1 4.43Å; I255-I259 VanDerWaalsContact O-CG1 3.27Å; I255-I259 WeakPolarHBondContact O-CG1 3.36Å; I255-I259 PolarHBondContact O-N 3.44Å; S256-I259 PolarHBondContact O-N 2.83Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 PolarHBondContact O-N 3.22Å; I259-Y261 VanDerWaalsContact C-N 3.3Å; I259-Y261 PolarHBondContact O-N 3.31Å; I259-A262 PolarHBondContact O-N 2.91Å
260	Q	89.4	Confident	89.8	Confident	54 Å²	54	79.3 Å²	79.3	25%	0.252	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-29.6	-178.3	-75.9	179.9	81.9	0	0	113.4	F218 S256 E257 K284	F218-Q260 HydrophobicContact CG-CG 4.48Å; S256-Q260 WeakPolarHBondContact O-CB 3.48Å; S256-Q260 VanDerWaalsContact O-CG 3.22Å; S256-Q260 WeakPolarHBondContact O-CG 3.15Å; S256-Q260 PolarHBondContact O-N 3.41Å; S256-Q260 PolarHBondContact O-NE2 2.83Å; S256-Q260 PolarHBondContact OG-NE2 2.76Å; E257-Q260 PolarHBondContact O-N 3.35Å; E257-Q260 VanDerWaalsContact O-N 3.11Å; Q260-K284 WeakPolarHBondContact O-CD 3.08Å; Q260-K284 WeakPolarHBondContact O-CE 3.28Å; Q260-K284 PolarHBondContact O-NZ 3.19Å
261	Y	91.5	Very high	90.4	Very high	166 Å²	166	73.3 Å²	73.3	65%	0.651	38%	0.378	S	S	*	.	H	α-helix	trans	-85.4	-15	172.2	-68.8	-66.5	0	0	0	113.3	E257 K258 I259 D263	E257-Y261 HydrophobicContact CB-CD2 4.47Å; E257-Y261 HydrophobicContact CB-CE2 4.43Å; E257-Y261 WeakPolarHBondContact O-CD2 3.44Å; E257-Y261 PolarHBondContact O-N 2.75Å; K258-Y261 PolarHBondContact O-N 3.11Å; I259-Y261 VanDerWaalsContact C-N 3.3Å; I259-Y261 PolarHBondContact O-N 3.31Å; Y261-D263 PolarHBondContact O-N 2.87Å
262	A	91.2	Very high	91	Very high	22 Å²	22	76.1 Å²	76.1	18%	0.182	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	39.5	-172.2	0	0	0	0	0	112.1	W231 K258 I259 V264 K284	W231-A262 HydrophobicContact CH2-CB 3.97Å; W231-A262 HydrophobicContact CZ3-CB 4.17Å; K258-A262 PolarHBondContact O-N 3.21Å; I259-A262 PolarHBondContact O-N 2.91Å; A262-V264 PolarHBondContact O-N 3.42Å; A262-K284 HydrophobicContact CB-CB 4Å
263	D	86.9	Confident	91.8	Very high	111 Å²	111	71.1 Å²	71.1	59%	0.594	37%	0.373	S	S	*	.			trans	-85.8	90.2	-177.6	-173.9	18.9	0	0	0	110.3	K258 Y261	K258-D263 PolarHBondContact O-N 3.23Å; Y261-D263 PolarHBondContact O-N 2.87Å
264	V	93.5	Very high	92.4	Very high	20 Å²	20	66.1 Å²	66.1	12%	0.121	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-98.4	121.4	-177.4	-174.8	0	0	0	0	109.6	F238 P246 F247 A262 Y266 L282	F238-V264 HydrophobicContact CD2-CG1 4.28Å; F238-V264 HydrophobicContact CE2-CG1 4.02Å; P246-V264 HydrophobicContact CB-CG1 3.86Å; P246-V264 HydrophobicContact CB-CG2 4.48Å; F247-V264 HydrophobicContact CE1-CG2 3.54Å; F247-V264 HydrophobicContact CE2-CG2 4.35Å; F247-V264 HydrophobicContact CZ-CG2 3.37Å; A262-V264 PolarHBondContact O-N 3.42Å; V264-Y266 HydrophobicContact CB-CE1 4.43Å; V264-Y266 HydrophobicContact CB-CE2 3.9Å; V264-Y266 HydrophobicContact CG1-CD1 4.02Å; V264-Y266 HydrophobicContact CG1-CD2 4.25Å; V264-Y266 HydrophobicContact CG1-CE1 3.53Å; V264-Y266 HydrophobicContact CG1-CE2 3.78Å; V264-Y266 HydrophobicContact CG1-CG 4.36Å; V264-L282 HydrophobicContact CG2-CB 4.38Å; V264-L282 HydrophobicContact CG2-CD1 3.77Å
265	S	93.7	Very high	92.9	Very high	95 Å²	95	63.6 Å²	63.6	66%	0.664	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-91.4	119.7	168.7	-67	0	0	0	0	110.1
266	Y	95.5	Very high	93.4	Very high	62 Å²	62	68.8 Å²	68.8	24%	0.243	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-97.3	131.4	179.5	-61.9	-79.6	0	0	0	110.5	F238 V264 L270 T275 I278 T279	F238-Y266 HydrophobicContact CD2-CD1 4.08Å; F238-Y266 HydrophobicContact CD2-CE1 4.07Å; F238-Y266 AromaticContact CE2-CD1 3.86Å; F238-Y266 HydrophobicContact CE2-CD1 3.86Å; F238-Y266 HydrophobicContact CE2-CE1 4.22Å; V264-Y266 HydrophobicContact CB-CE1 4.43Å; V264-Y266 HydrophobicContact CB-CE2 3.9Å; V264-Y266 HydrophobicContact CG1-CD1 4.02Å; V264-Y266 HydrophobicContact CG1-CD2 4.25Å; V264-Y266 HydrophobicContact CG1-CE1 3.53Å; V264-Y266 HydrophobicContact CG1-CE2 3.78Å; V264-Y266 HydrophobicContact CG1-CG 4.36Å; Y266-L270 HydrophobicContact CD1-CD2 3.79Å; Y266-T275 HydrophobicContact CD1-CG2 3.87Å; Y266-T275 HydrophobicContact CD2-CG2 3.92Å; Y266-T275 HydrophobicContact CE1-CG2 4.19Å; Y266-T275 HydrophobicContact CE2-CG2 4.23Å; Y266-T275 HydrophobicContact CG-CG2 3.73Å; Y266-I278 HydrophobicContact CE1-CB 4.11Å; Y266-I278 HydrophobicContact CE1-CG2 3.76Å; Y266-T279 WeakPolarHBondContact OH-CA 3.38Å; Y266-T279 PolarHBondContact OH-OG1 3.31Å
267	P	94.9	Very high	94	Very high	52 Å²	52	68.6 Å²	68.6	34%	0.338	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-62.1	141	171.2	-21.2	32.7	0	0	0	111.5	T242 T269 L270	T242-P267 HydrophobicContact CG2-CG 4.1Å; P267-T269 PolarHBondContact O-N 3.04Å; P267-T269 VanDerWaalsContact O-N 3.11Å; P267-L270 VanDerWaalsContact O-CB 3.27Å; P267-L270 WeakPolarHBondContact O-CB 3.4Å; P267-L270 PolarHBondContact O-N 3.21Å
268	D	93.8	Very high	94.4	Very high	175 Å²	175	64.5 Å²	64.5	94%	0.936	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.4	176.8	-68	-33.3	0	0	0	113	L270	D268-L270 VanDerWaalsContact C-N 3.31Å
269	T	93.2	Very high	94.7	Very high	139 Å²	139	62.5 Å²	62.5	85%	0.853	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.9	176.9	53.5	0	0	0	0	113.5	P267	P267-T269 PolarHBondContact O-N 3.04Å; P267-T269 VanDerWaalsContact O-N 3.11Å
270	L	95.9	Very high	95	Very high	20 Å²	20	63.2 Å²	63.2	11%	0.105	34%	0.341	C	S	.	.	S	Bend	trans	-73.8	134.6	-177.1	-172.6	63.2	0	0	0	110.9	L241 T242 Y266 P267 D268 L272 T275 I278	L241-L270 HydrophobicContact CB-CD1 3.67Å; L241-L270 HydrophobicContact CD1-CD1 3.9Å; L241-L270 HydrophobicContact CG-CD1 4.3Å; T242-L270 HydrophobicContact CG2-CD1 4.3Å; Y266-L270 HydrophobicContact CD1-CD2 3.79Å; P267-L270 VanDerWaalsContact O-CB 3.27Å; P267-L270 WeakPolarHBondContact O-CB 3.4Å; P267-L270 PolarHBondContact O-N 3.21Å; D268-L270 VanDerWaalsContact C-N 3.31Å; L270-L272 PolarHBondContact O-N 3.48Å; L270-T275 WeakPolarHBondContact CD2-OG1 3.41Å; L270-I278 HydrophobicContact CD2-CD1 4.05Å
271	N	96	Very high	95.5	Very high	61 Å²	61	60.6 Å²	60.6	33%	0.326	33%	0.329	S	S	.	.			trans	-53.8	124.7	178.4	-174.8	-57.7	0	0	0	111.3	D147 G273 A274 T275	D147-N271 VanDerWaalsContact OD1-CB 3.22Å; D147-N271 WeakPolarHBondContact OD1-CB 3.17Å; D147-N271 PolarHBondContact OD1-ND2 3.18Å; N271-G273 PolarHBondContact O-N 3.14Å; N271-G273 VanDerWaalsContact O-N 3.15Å; N271-G273 WeakPolarHBondContact OD1-CA 3.23Å; N271-G273 PolarHBondContact OD1-N 3.48Å; N271-A274 HydrophobicContact CB-CB 3.98Å; N271-A274 WeakPolarHBondContact O-CA 3.27Å; N271-A274 WeakPolarHBondContact O-CB 3.48Å; N271-A274 PolarHBondContact O-N 3.03Å; N271-A274 PolarHBondContact OD1-N 3.18Å; N271-T275 PolarHBondContact O-N 3.03Å; N271-T275 PolarHBondContact O-OG1 3.41Å
272	L	96.7	Very high	95.7	Very high	122 Å²	122	53.1 Å²	53.1	64%	0.639	30%	0.3	S	S	*	.	H	α-helix	trans	-57.2	-35	-176.9	-177.9	62.6	0	0	0	113.1	L270 K276	L270-L272 PolarHBondContact O-N 3.48Å; L272-K276 WeakPolarHBondContact O-CG 3.4Å; L272-K276 PolarHBondContact O-N 2.94Å; L272-K276 VanDerWaalsContact O-N 3.08Å
273	G	97.5	Very high	95.9	Very high	17 Å²	17	55.6 Å²	55.6	18%	0.175	31%	0.307	C	S	.	.	H	α-helix	trans	-67.6	-39.7	174.8	0	0	0	0	0	112.4	N271 K276 L277 W300	N271-G273 PolarHBondContact O-N 3.14Å; N271-G273 VanDerWaalsContact O-N 3.15Å; N271-G273 WeakPolarHBondContact OD1-CA 3.23Å; N271-G273 PolarHBondContact OD1-N 3.48Å; G273-K276 PolarHBondContact O-N 3.46Å; G273-L277 PolarHBondContact O-N 3.16Å; G273-W300 VanDerWaalsContact C-CB 3.42Å
274	A	98.1	Very high	96.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-45.1	173.8	0	0	0	0	0	111	L241 N271 K276 L277 I278 W300	L241-A274 HydrophobicContact CD1-CB 3.68Å; N271-A274 HydrophobicContact CB-CB 3.98Å; N271-A274 WeakPolarHBondContact O-CA 3.27Å; N271-A274 WeakPolarHBondContact O-CB 3.48Å; N271-A274 PolarHBondContact O-N 3.03Å; N271-A274 PolarHBondContact OD1-N 3.18Å; A274-K276 VanDerWaalsContact C-N 3.29Å; A274-K276 PolarHBondContact O-N 2.72Å; A274-L277 PolarHBondContact O-N 3.45Å; A274-L277 VanDerWaalsContact O-N 3.08Å; A274-I278 WeakPolarHBondContact O-CG1 3.46Å; A274-I278 PolarHBondContact O-N 3.1Å; A274-W300 HydrophobicContact CB-CD2 3.75Å; A274-W300 HydrophobicContact CB-CE3 4.35Å; A274-W300 HydrophobicContact CB-CG 3.93Å; A274-W300 HydrophobicContact CB-CZ2 4.13Å
275	T	97.9	Very high	96.1	Very high	23 Å²	23	59 Å²	59	14%	0.141	32%	0.319	C	S	.	.	H	α-helix	trans	-55.5	-44	176.1	-58.6	0	0	0	0	111.6	Y266 L270 N271 L277 I278 T279	Y266-T275 HydrophobicContact CD1-CG2 3.87Å; Y266-T275 HydrophobicContact CD2-CG2 3.92Å; Y266-T275 HydrophobicContact CE1-CG2 4.19Å; Y266-T275 HydrophobicContact CE2-CG2 4.23Å; Y266-T275 HydrophobicContact CG-CG2 3.73Å; L270-T275 WeakPolarHBondContact CD2-OG1 3.41Å; N271-T275 PolarHBondContact O-N 3.03Å; N271-T275 PolarHBondContact O-OG1 3.41Å; T275-L277 PolarHBondContact O-N 3.34Å; T275-I278 PolarHBondContact O-N 3.34Å; T275-T279 VanDerWaalsContact O-CB 3.27Å; T275-T279 WeakPolarHBondContact O-CB 3.39Å; T275-T279 PolarHBondContact O-N 2.91Å; T275-T279 PolarHBondContact O-OG1 3.01Å
276	K	97.8	Very high	96.1	Very high	125 Å²	125	55.9 Å²	55.9	54%	0.543	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-43.8	175.7	-74.9	174.4	-178.5	179.3	0	112.5	L272 G273 A274 S280	L272-K276 WeakPolarHBondContact O-CG 3.4Å; L272-K276 PolarHBondContact O-N 2.94Å; L272-K276 VanDerWaalsContact O-N 3.08Å; G273-K276 PolarHBondContact O-N 3.46Å; A274-K276 VanDerWaalsContact C-N 3.29Å; A274-K276 PolarHBondContact O-N 2.72Å; K276-S280 PolarHBondContact O-N 3.48Å; K276-S280 VanDerWaalsContact O-N 3.12Å
277	L	98.5	Very high	96	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-68	-44.8	177.9	176.1	61	0	0	0	111.9	V154 G273 A274 T275 T279 S280 M281 I295 Y298 W300 I301	V154-L277 HydrophobicContact CG1-CD2 4.24Å; G273-L277 PolarHBondContact O-N 3.16Å; A274-L277 PolarHBondContact O-N 3.45Å; A274-L277 VanDerWaalsContact O-N 3.08Å; T275-L277 PolarHBondContact O-N 3.34Å; L277-T279 VanDerWaalsContact C-N 3.31Å; L277-T279 PolarHBondContact O-N 3.46Å; L277-S280 PolarHBondContact O-N 2.97Å; L277-S280 PolarHBondContact O-OG 2.93Å; L277-M281 HydrophobicContact CD1-CE 4.33Å; L277-M281 HydrophobicContact CD2-CE 4.42Å; L277-M281 HydrophobicContact CG-CE 3.91Å; L277-M281 PolarHBondContact O-N 3.1Å; L277-M281 VanDerWaalsContact O-N 3.12Å; L277-I295 HydrophobicContact CD1-CG1 4.25Å; L277-I295 HydrophobicContact CD1-CG2 4.37Å; L277-I295 HydrophobicContact CD2-CG2 4.26Å; L277-Y298 HydrophobicContact CB-CD1 3.7Å; L277-Y298 HydrophobicContact CB-CE1 4.14Å; L277-Y298 HydrophobicContact CB-CG 4.16Å; L277-Y298 HydrophobicContact CD1-CD1 3.95Å; L277-Y298 HydrophobicContact CD1-CD2 3.82Å; L277-Y298 HydrophobicContact CD1-CE1 4.1Å; L277-Y298 HydrophobicContact CD1-CE2 4.02Å; L277-Y298 HydrophobicContact CD1-CG 3.81Å; L277-Y298 HydrophobicContact CG-CD1 4.38Å; L277-Y298 HydrophobicContact CG-CG 4.44Å; L277-W300 HydrophobicContact CD2-CE3 3.69Å; L277-W300 HydrophobicContact CD2-CZ3 3.9Å; L277-I301 HydrophobicContact CD2-CD1 3.89Å; L277-I301 HydrophobicContact CD2-CG1 3.79Å
278	I	98.3	Very high	96	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-44.1	177.1	-63.6	161.6	0	0	0	110	T237 F238 L241 Y266 L270 A274 T275 S280 M281 L282	T237-I278 HydrophobicContact CG2-CD1 4.08Å; T237-I278 HydrophobicContact CG2-CG1 3.72Å; F238-I278 HydrophobicContact CB-CD1 4.22Å; F238-I278 HydrophobicContact CB-CG2 4.31Å; F238-I278 HydrophobicContact CD2-CD1 4.41Å; F238-I278 HydrophobicContact CD2-CG2 4.45Å; L241-I278 HydrophobicContact CD1-CD1 4.2Å; Y266-I278 HydrophobicContact CE1-CB 4.11Å; Y266-I278 HydrophobicContact CE1-CG2 3.76Å; L270-I278 HydrophobicContact CD2-CD1 4.05Å; A274-I278 WeakPolarHBondContact O-CG1 3.46Å; A274-I278 PolarHBondContact O-N 3.1Å; T275-I278 PolarHBondContact O-N 3.34Å; I278-S280 PolarHBondContact O-N 3.16Å; I278-M281 PolarHBondContact O-N 3.37Å; I278-M281 VanDerWaalsContact O-N 3.1Å; I278-L282 HydrophobicContact CG2-CD1 3.57Å; I278-L282 HydrophobicContact CG2-CG 4.01Å; I278-L282 WeakPolarHBondContact O-CG 3.49Å; I278-L282 PolarHBondContact O-N 3.29Å
279	T	97.8	Very high	96.2	Very high	49 Å²	49	52 Å²	52	30%	0.301	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-33.4	177.6	-58.1	0	0	0	0	112.4	Y266 T275 L277 K283	Y266-T279 WeakPolarHBondContact OH-CA 3.38Å; Y266-T279 PolarHBondContact OH-OG1 3.31Å; T275-T279 VanDerWaalsContact O-CB 3.27Å; T275-T279 WeakPolarHBondContact O-CB 3.39Å; T275-T279 PolarHBondContact O-N 2.91Å; T275-T279 PolarHBondContact O-OG1 3.01Å; L277-T279 VanDerWaalsContact C-N 3.31Å; L277-T279 PolarHBondContact O-N 3.46Å; T279-K283 WeakPolarHBondContact O-CD 3.3Å; T279-K283 VanDerWaalsContact O-CE 3.28Å; T279-K283 WeakPolarHBondContact O-CE 3.39Å
280	S	97.8	Very high	96.4	Very high	14 Å²	14	45.9 Å²	45.9	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-78.7	-22.3	177.8	73.4	0	0	0	0	113.2	K276 L277 I278 R289 V290 Y298	K276-S280 PolarHBondContact O-N 3.48Å; K276-S280 VanDerWaalsContact O-N 3.12Å; L277-S280 PolarHBondContact O-N 2.97Å; L277-S280 PolarHBondContact O-OG 2.93Å; I278-S280 PolarHBondContact O-N 3.16Å; S280-R289 VanDerWaalsContact O-CA 3.3Å; S280-R289 WeakPolarHBondContact O-CA 3.41Å; S280-V290 PolarHBondContact O-N 3.48Å; S280-V290 WeakPolarHBondContact OG-CG1 3.39Å; S280-Y298 WeakPolarHBondContact CB-OH 3.28Å; S280-Y298 PolarHBondContact OG-OH 2.8Å
281	M	98.2	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-83.8	-39	171.2	-68.9	-168.2	-78.3	0	0	112.8	I230 L233 T237 L277 I278 K283 R289 V290 I295	I230-M281 HydrophobicContact CG2-CB 4.13Å; I230-M281 HydrophobicContact CG2-CG 3.85Å; I230-M281 HydrophobicContact CG2-SD 4.41Å; L233-M281 HydrophobicContact CB-SD 4.16Å; L233-M281 HydrophobicContact CD2-SD 4.03Å; L233-M281 HydrophobicContact CG-SD 3.88Å; T237-M281 HydrophobicContact CG2-CE 4.39Å; L277-M281 HydrophobicContact CD1-CE 4.33Å; L277-M281 HydrophobicContact CD2-CE 4.42Å; L277-M281 HydrophobicContact CG-CE 3.91Å; L277-M281 PolarHBondContact O-N 3.1Å; L277-M281 VanDerWaalsContact O-N 3.12Å; I278-M281 PolarHBondContact O-N 3.37Å; I278-M281 VanDerWaalsContact O-N 3.1Å; M281-K283 PolarHBondContact O-N 3.12Å; M281-K283 VanDerWaalsContact O-N 3.11Å; M281-R289 WeakPolarHBondContact O-CD 3.3Å; M281-R289 VanDerWaalsContact O-CG 3.27Å; M281-R289 WeakPolarHBondContact O-CG 3.37Å; M281-V290 HydrophobicContact CG-CG1 3.56Å; M281-I295 HydrophobicContact SD-CD1 4.15Å
282	L	97.3	Very high	96.5	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.042	24%	0.237	C	C	.	.	S	Bend	trans	-87.4	40.1	-176.9	-59.6	-174.2	0	0	0	113.1	W231 I235 P246 V264 I278	W231-L282 HydrophobicContact CD2-CD2 3.84Å; W231-L282 HydrophobicContact CE3-CB 4.46Å; W231-L282 HydrophobicContact CE3-CD2 3.92Å; W231-L282 HydrophobicContact CG-CD2 4.28Å; W231-L282 HydrophobicContact CZ3-CB 4.22Å; W231-L282 HydrophobicContact CZ3-CD2 4.3Å; W231-L282 WeakPolarHBondContact O-CD2 3.5Å; I235-L282 HydrophobicContact CD1-CD1 4.1Å; I235-L282 HydrophobicContact CD1-CD2 3.62Å; I235-L282 HydrophobicContact CG1-CD2 4.04Å; P246-L282 HydrophobicContact CG-CD1 4.36Å; V264-L282 HydrophobicContact CG2-CB 4.38Å; V264-L282 HydrophobicContact CG2-CD1 3.77Å; I278-L282 HydrophobicContact CG2-CD1 3.57Å; I278-L282 HydrophobicContact CG2-CG 4.01Å; I278-L282 WeakPolarHBondContact O-CG 3.49Å; I278-L282 PolarHBondContact O-N 3.29Å
283	K	95.5	Very high	96.5	Very high	75 Å²	75	43.2 Å²	43.2	33%	0.326	23%	0.231	S	C	.	.			trans	-77.5	133.3	171.5	-63.9	-64.8	-174.8	-176.4	0	110.5	T279 M281 L285 Q288 R289	T279-K283 WeakPolarHBondContact O-CD 3.3Å; T279-K283 VanDerWaalsContact O-CE 3.28Å; T279-K283 WeakPolarHBondContact O-CE 3.39Å; M281-K283 PolarHBondContact O-N 3.12Å; M281-K283 VanDerWaalsContact O-N 3.11Å; K283-L285 PolarHBondContact O-N 2.88Å; K283-Q288 HydrophobicContact CB-CB 4.01Å; K283-Q288 HydrophobicContact CG-CB 4.12Å; K283-R289 HydrophobicContact CB-CG 3.95Å; K283-R289 PolarHBondContact O-NE 3.18Å; K283-R289 PolarHBondContact O-NH2 2.84Å
284	K	92.6	Very high	96.4	Very high	105 Å²	105	46.8 Å²	46.8	46%	0.457	24%	0.243	S	C	.	.	S	Bend	trans	-55.4	-50.5	175.3	178	170.5	178.7	154	0	111.8	Q260 A262 S286	Q260-K284 WeakPolarHBondContact O-CD 3.08Å; Q260-K284 WeakPolarHBondContact O-CE 3.28Å; Q260-K284 PolarHBondContact O-NZ 3.19Å; A262-K284 HydrophobicContact CB-CB 4Å; K284-S286 PolarHBondContact O-N 2.71Å
285	L	91.9	Very high	96.4	Very high	96 Å²	96	46.8 Å²	46.8	50%	0.503	24%	0.243	S	C	.	.	S	Bend	trans	-78.1	116.8	173.5	-65.5	179.4	0	0	0	109.1	K283 S287 Q288	K283-L285 PolarHBondContact O-N 2.88Å; L285-S287 PolarHBondContact O-N 3.42Å; L285-Q288 HydrophobicContact CB-CB 4.43Å; L285-Q288 HydrophobicContact CB-CG 4.02Å; L285-Q288 WeakPolarHBondContact O-CB 3.27Å; L285-Q288 PolarHBondContact O-N 3.43Å
286	S	93.1	Very high	96.3	Very high	30 Å²	30	46.8 Å²	46.8	21%	0.21	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-54.5	-39.5	-179.4	62.6	0	0	0	0	111.7	R227 K284 Q288 R289	R227-S286 WeakPolarHBondContact CD-O 3.49Å; K284-S286 PolarHBondContact O-N 2.71Å; S286-Q288 PolarHBondContact O-N 3.1Å; S286-Q288 VanDerWaalsContact O-N 3.08Å; S286-R289 WeakPolarHBondContact O-CB 3.2Å; S286-R289 WeakPolarHBondContact O-CG 3.35Å; S286-R289 PolarHBondContact O-N 3.47Å
287	S	93.2	Very high	96.2	Very high	78 Å²	78	45.6 Å²	45.6	55%	0.545	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.2	-16.1	178.6	65	0	0	0	0	115.5	L285	L285-S287 PolarHBondContact O-N 3.42Å
288	Q	95.4	Very high	96.2	Very high	117 Å²	117	48.7 Å²	48.7	55%	0.547	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-95.4	-5.8	177.5	-64.7	-178.2	-16.1	0	0	112.9	K283 L285 S286	K283-Q288 HydrophobicContact CB-CB 4.01Å; K283-Q288 HydrophobicContact CG-CB 4.12Å; L285-Q288 HydrophobicContact CB-CB 4.43Å; L285-Q288 HydrophobicContact CB-CG 4.02Å; L285-Q288 WeakPolarHBondContact O-CB 3.27Å; L285-Q288 PolarHBondContact O-N 3.43Å; S286-Q288 PolarHBondContact O-N 3.1Å; S286-Q288 VanDerWaalsContact O-N 3.08Å
289	R	97.1	Very high	96.1	Very high	13 Å²	13	53.4 Å²	53.4	5%	0.049	28%	0.28	C	S	.	.	S	Bend	trans	-67.8	139.4	177.4	-61.6	-178.5	-169.8	141	10.7	109.9	E216 R227 I230 S280 M281 K283 S286	E216-R289 IonicContact OE1-CZ 2.72Å; E216-R289 IonicContact OE1-NH1 3.47Å; E216-R289 PolarHBondContact OE1-NH1 2.76Å; E216-R289 IonicContact OE1-NH2 3.87Å; E216-R289 PolarHBondContact OE1-NH2 2.86Å; E216-R289 IonicContact OE2-CZ 3.75Å; E216-R289 IonicContact OE2-NH1 3.13Å; E216-R289 IonicContact OE2-NH2 2.92Å; E216-R289 PolarHBondContact OE2-NH2 2.86Å; R227-R289 PolarHBondContact O-NH1 3.12Å; I230-R289 HydrophobicContact CG2-CB 4.13Å; S280-R289 VanDerWaalsContact O-CA 3.3Å; S280-R289 WeakPolarHBondContact O-CA 3.41Å; M281-R289 WeakPolarHBondContact O-CD 3.3Å; M281-R289 VanDerWaalsContact O-CG 3.27Å; M281-R289 WeakPolarHBondContact O-CG 3.37Å; K283-R289 HydrophobicContact CB-CG 3.95Å; K283-R289 PolarHBondContact O-NE 3.18Å; K283-R289 PolarHBondContact O-NH2 2.84Å; S286-R289 WeakPolarHBondContact O-CB 3.2Å; S286-R289 WeakPolarHBondContact O-CG 3.35Å; S286-R289 PolarHBondContact O-N 3.47Å
290	V	97.7	Very high	96.2	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-52.8	142.2	171.2	63.6	0	0	0	0	110.5	I230 S280 M281 E294 I295 Y298	I230-V290 WeakPolarHBondContact CD1-O 3.36Å; I230-V290 HydrophobicContact CG2-CG1 4.4Å; S280-V290 PolarHBondContact O-N 3.48Å; S280-V290 WeakPolarHBondContact OG-CG1 3.39Å; M281-V290 HydrophobicContact CG-CG1 3.56Å; V290-E294 HydrophobicContact CG2-CB 3.66Å; V290-I295 HydrophobicContact CG1-CG1 4.44Å; V290-Y298 HydrophobicContact CG2-CE2 3.65Å
291	S	97.1	Very high	96.2	Very high	43 Å²	43	50.6 Å²	50.6	30%	0.301	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-76.4	152.6	173.3	72.9	0	0	0	0	111.5	N293 E294 I295	S291-N293 PolarHBondContact O-N 3.32Å; S291-N293 VanDerWaalsContact O-N 3.16Å; S291-E294 VanDerWaalsContact CB-OE2 3.28Å; S291-E294 WeakPolarHBondContact CB-OE2 3.39Å; S291-E294 PolarHBondContact N-OE2 3.22Å; S291-E294 PolarHBondContact O-N 2.86Å; S291-E294 VanDerWaalsContact OG-CG 3.22Å; S291-E294 WeakPolarHBondContact OG-CG 3.4Å; S291-E294 PolarHBondContact OG-OE2 2.99Å; S291-I295 PolarHBondContact O-N 2.98Å
292	L	97.5	Very high	96.2	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31.3	178.2	-67	172.7	0	0	0	113.1	L161 H165 I230 L233 E294 I295	L161-L292 HydrophobicContact CB-CD1 3.43Å; L161-L292 VanDerWaalsContact CB-CD1 3.43Å; L161-L292 HydrophobicContact CB-CD2 4.24Å; L161-L292 HydrophobicContact CB-CG 4.49Å; L161-L292 HydrophobicContact CD1-CD2 4.32Å; H165-L292 VanDerWaalsContact CE1-CD1 3.41Å; H165-L292 WeakPolarHBondContact CE1-CD1 3.32Å; H165-L292 VanDerWaalsContact ND1-CD1 3.32Å; H165-L292 WeakPolarHBondContact ND1-CD1 3.27Å; I230-L292 HydrophobicContact CD1-CG 4.27Å; I230-L292 HydrophobicContact CG1-CD2 3.96Å; I230-L292 HydrophobicContact CG1-CG 3.99Å; L233-L292 HydrophobicContact CD2-CD2 3.99Å; L292-E294 VanDerWaalsContact C-N 3.26Å; L292-E294 PolarHBondContact O-N 3.45Å; L292-I295 HydrophobicContact CD2-CD1 3.85Å; L292-I295 PolarHBondContact O-N 3.2Å
293	N	95.3	Very high	96.2	Very high	97 Å²	97	62.3 Å²	62.3	52%	0.519	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-73.8	-17.6	178.7	-66.4	-26.6	0	0	0	113	S162 S291	S162-N293 PolarHBondContact OG-OD1 3.12Å; S291-N293 PolarHBondContact O-N 3.32Å; S291-N293 VanDerWaalsContact O-N 3.16Å
294	E	97	Very high	96.3	Very high	93 Å²	93	60.7 Å²	60.7	44%	0.435	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-92.7	-12.7	178.3	-71	167	128	0	0	113.1	V290 S291 L292 D296 N297 Y298	V290-E294 HydrophobicContact CG2-CB 3.66Å; S291-E294 VanDerWaalsContact CB-OE2 3.28Å; S291-E294 WeakPolarHBondContact CB-OE2 3.39Å; S291-E294 PolarHBondContact N-OE2 3.22Å; S291-E294 PolarHBondContact O-N 2.86Å; S291-E294 VanDerWaalsContact OG-CG 3.22Å; S291-E294 WeakPolarHBondContact OG-CG 3.4Å; S291-E294 PolarHBondContact OG-OE2 2.99Å; L292-E294 VanDerWaalsContact C-N 3.26Å; L292-E294 PolarHBondContact O-N 3.45Å; E294-D296 VanDerWaalsContact C-N 3.27Å; E294-D296 PolarHBondContact O-N 3.42Å; E294-N297 VanDerWaalsContact O-CB 3.3Å; E294-N297 WeakPolarHBondContact O-CB 3.3Å; E294-N297 PolarHBondContact O-N 2.92Å; E294-Y298 WeakPolarHBondContact O-CD2 3.47Å
295	I	97.7	Very high	96.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-55.5	-44	-178.5	-71.3	-177.9	0	0	0	111.2	V154 L233 L277 M281 V290 S291 L292 N297 Y298 I301	V154-I295 HydrophobicContact CG1-CG2 3.89Å; L233-I295 HydrophobicContact CD2-CD1 3.69Å; L277-I295 HydrophobicContact CD1-CG1 4.25Å; L277-I295 HydrophobicContact CD1-CG2 4.37Å; L277-I295 HydrophobicContact CD2-CG2 4.26Å; M281-I295 HydrophobicContact SD-CD1 4.15Å; V290-I295 HydrophobicContact CG1-CG1 4.44Å; S291-I295 PolarHBondContact O-N 2.98Å; L292-I295 HydrophobicContact CD2-CD1 3.85Å; L292-I295 PolarHBondContact O-N 3.2Å; I295-N297 PolarHBondContact O-N 3.11Å; I295-N297 VanDerWaalsContact O-N 3.08Å; I295-Y298 WeakPolarHBondContact O-CB 3.32Å; I295-Y298 PolarHBondContact O-N 3.41Å; I295-Y298 VanDerWaalsContact O-N 3.12Å; I295-I301 HydrophobicContact CG2-CD1 4.25Å; I295-I301 HydrophobicContact CG2-CG1 4.01Å; I295-I301 WeakPolarHBondContact O-CG1 3.29Å
296	D	94.6	Very high	96.7	Very high	23 Å²	23	54 Å²	54	12%	0.123	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-63	-17.5	179.3	-59.3	10.1	0	0	0	113.7	Y155 K159 E294 Y298 K302 F307	Y155-D296 WeakPolarHBondContact CD2-OD1 3.46Å; Y155-D296 VanDerWaalsContact CE2-OD2 3.3Å; Y155-D296 WeakPolarHBondContact CE2-OD2 3.48Å; K159-D296 WeakPolarHBondContact CE-OD2 3.35Å; K159-D296 IonicContact NZ-OD1 3.38Å; K159-D296 IonicContact NZ-OD2 3.09Å; K159-D296 PolarHBondContact NZ-OD2 3.22Å; E294-D296 VanDerWaalsContact C-N 3.27Å; E294-D296 PolarHBondContact O-N 3.42Å; D296-Y298 VanDerWaalsContact C-N 3.31Å; D296-K302 WeakPolarHBondContact O-CG 3.22Å; D296-F307 HydrophobicContact CB-CE1 4.38Å
297	N	96.7	Very high	96.8	Very high	99 Å²	99	56.8 Å²	56.8	53%	0.529	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-80.8	-13.8	-180	-66.3	-36.1	0	0	0	112.8	E294 I295 K302	E294-N297 VanDerWaalsContact O-CB 3.3Å; E294-N297 WeakPolarHBondContact O-CB 3.3Å; E294-N297 PolarHBondContact O-N 2.92Å; I295-N297 PolarHBondContact O-N 3.11Å; I295-N297 VanDerWaalsContact O-N 3.08Å; N297-K302 WeakPolarHBondContact O-CE 3.43Å; N297-K302 PolarHBondContact O-NZ 2.88Å
298	Y	98.1	Very high	96.9	Very high	65 Å²	65	54.3 Å²	54.3	26%	0.255	27%	0.271	S	S	.	.	S	Bend	trans	-72	135.7	179	-77.8	-110	0	0	0	110.7	L277 S280 V290 E294 I295 D296 W300 I301 K302	L277-Y298 HydrophobicContact CB-CD1 3.7Å; L277-Y298 HydrophobicContact CB-CE1 4.14Å; L277-Y298 HydrophobicContact CB-CG 4.16Å; L277-Y298 HydrophobicContact CD1-CD1 3.95Å; L277-Y298 HydrophobicContact CD1-CD2 3.82Å; L277-Y298 HydrophobicContact CD1-CE1 4.1Å; L277-Y298 HydrophobicContact CD1-CE2 4.02Å; L277-Y298 HydrophobicContact CD1-CG 3.81Å; L277-Y298 HydrophobicContact CG-CD1 4.38Å; L277-Y298 HydrophobicContact CG-CG 4.44Å; S280-Y298 WeakPolarHBondContact CB-OH 3.28Å; S280-Y298 PolarHBondContact OG-OH 2.8Å; V290-Y298 HydrophobicContact CG2-CE2 3.65Å; E294-Y298 WeakPolarHBondContact O-CD2 3.47Å; I295-Y298 WeakPolarHBondContact O-CB 3.32Å; I295-Y298 PolarHBondContact O-N 3.41Å; I295-Y298 VanDerWaalsContact O-N 3.12Å; D296-Y298 VanDerWaalsContact C-N 3.31Å; Y298-W300 PolarHBondContact O-N 3.42Å; Y298-W300 VanDerWaalsContact O-N 3.15Å; Y298-I301 PolarHBondContact O-N 3.49Å; Y298-K302 PolarHBondContact O-N 2.84Å
299	D	97	Very high	96.9	Very high	100 Å²	100	50.3 Å²	50.3	54%	0.535	26%	0.255	S	S	.	.	H	α-helix	trans	-54.2	-38.1	-178.6	-64.4	-24.4	0	0	0	112.1	I301 K302 M303	D299-I301 PolarHBondContact O-N 2.81Å; D299-K302 PolarHBondContact O-N 2.86Å; D299-M303 HydrophobicContact CB-CE 4.17Å; D299-M303 WeakPolarHBondContact O-CB 3.36Å; D299-M303 WeakPolarHBondContact O-CG 3.42Å; D299-M303 PolarHBondContact O-N 3.33Å
300	W	98.3	Very high	96.9	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.011	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-42.9	177.5	-178.5	71	0	0	0	113.3	D147 A150 A151 V154 T237 L241 G273 A274 L277 Y298 N304	D147-W300 PolarHBondContact OD1-NE1 3.1Å; A150-W300 HydrophobicContact CB-CH2 4.09Å; A150-W300 HydrophobicContact CB-CZ2 4.17Å; A151-W300 VanDerWaalsContact CA-CH2 3.43Å; A151-W300 HydrophobicContact CB-CD2 4.33Å; A151-W300 HydrophobicContact CB-CE3 4.24Å; A151-W300 HydrophobicContact CB-CH2 3.73Å; A151-W300 HydrophobicContact CB-CZ2 3.77Å; A151-W300 HydrophobicContact CB-CZ3 3.97Å; V154-W300 HydrophobicContact CB-CZ3 4.41Å; V154-W300 HydrophobicContact CG2-CH2 4.36Å; V154-W300 HydrophobicContact CG2-CZ3 4.23Å; T237-W300 HydrophobicContact CG2-CH2 4.22Å; T237-W300 HydrophobicContact CG2-CZ3 4.23Å; L241-W300 HydrophobicContact CD1-CH2 4Å; L241-W300 HydrophobicContact CD1-CZ2 3.82Å; L241-W300 HydrophobicContact CD2-CZ2 3.98Å; L241-W300 HydrophobicContact CG-CZ2 4.39Å; G273-W300 VanDerWaalsContact C-CB 3.42Å; A274-W300 HydrophobicContact CB-CD2 3.75Å; A274-W300 HydrophobicContact CB-CE3 4.35Å; A274-W300 HydrophobicContact CB-CG 3.93Å; A274-W300 HydrophobicContact CB-CZ2 4.13Å; L277-W300 HydrophobicContact CD2-CE3 3.69Å; L277-W300 HydrophobicContact CD2-CZ3 3.9Å; Y298-W300 PolarHBondContact O-N 3.42Å; Y298-W300 VanDerWaalsContact O-N 3.15Å; W300-N304 VanDerWaalsContact CD1-ND2 3.34Å; W300-N304 WeakPolarHBondContact O-CB 3.47Å; W300-N304 PolarHBondContact O-N 3.3Å; W300-N304 PolarHBondContact O-ND2 3.08Å
301	I	98.4	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.9	-46.4	175.5	-61.8	-66.7	0	0	0	109.8	A151 V154 L277 I295 Y298 D299 M303 N304 A305 F307	A151-I301 HydrophobicContact CB-CD1 4.12Å; V154-I301 HydrophobicContact CB-CD1 4.05Å; V154-I301 HydrophobicContact CG1-CD1 3.85Å; L277-I301 HydrophobicContact CD2-CD1 3.89Å; L277-I301 HydrophobicContact CD2-CG1 3.79Å; I295-I301 HydrophobicContact CG2-CD1 4.25Å; I295-I301 HydrophobicContact CG2-CG1 4.01Å; I295-I301 WeakPolarHBondContact O-CG1 3.29Å; Y298-I301 PolarHBondContact O-N 3.49Å; D299-I301 PolarHBondContact O-N 2.81Å; I301-M303 VanDerWaalsContact C-N 3.28Å; I301-M303 PolarHBondContact O-N 3.21Å; I301-N304 PolarHBondContact O-N 2.96Å; I301-A305 HydrophobicContact CG2-CB 3.91Å; I301-A305 WeakPolarHBondContact O-CB 3.11Å; I301-A305 PolarHBondContact O-N 3.23Å; I301-F307 HydrophobicContact CG2-CE1 4.38Å; I301-F307 HydrophobicContact CG2-CZ 4.14Å
302	K	97.9	Very high	96.9	Very high	107 Å²	107	53 Å²	53	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-57.4	-38.3	178.8	-71.5	174.1	172.7	157.6	0	113.9	D296 N297 Y298 D299 F307	D296-K302 WeakPolarHBondContact O-CG 3.22Å; N297-K302 WeakPolarHBondContact O-CE 3.43Å; N297-K302 PolarHBondContact O-NZ 2.88Å; Y298-K302 PolarHBondContact O-N 2.84Å; D299-K302 PolarHBondContact O-N 2.86Å; K302-F307 HydrophobicContact CG-CZ 4.35Å
303	M	97.5	Very high	96.9	Very high	147 Å²	147	56.4 Å²	56.4	72%	0.724	28%	0.283	S	S	*	.	H	α-helix	trans	-83.5	-28.7	-176.1	-69.4	175.2	-176.9	0	0	113.2	D299 I301	D299-M303 HydrophobicContact CB-CE 4.17Å; D299-M303 WeakPolarHBondContact O-CB 3.36Å; D299-M303 WeakPolarHBondContact O-CG 3.42Å; D299-M303 PolarHBondContact O-N 3.33Å; I301-M303 VanDerWaalsContact C-N 3.28Å; I301-M303 PolarHBondContact O-N 3.21Å
304	N	98	Very high	97	Very high	41 Å²	41	52.1 Å²	52.1	22%	0.219	26%	0.261	C	S	.	.	H	α-helix	trans	-116.6	-26.5	-167.5	-62.5	-76	0	0	0	114.7	D147 S148 A151 W300 I301	D147-N304 HydrophobicContact CB-CB 4.21Å; S148-N304 VanDerWaalsContact CA-O 3.32Å; S148-N304 WeakPolarHBondContact CA-O 3.5Å; S148-N304 PolarHBondContact OG-O 3.18Å; S148-N304 VanDerWaalsContact OG-O 3.13Å; A151-N304 HydrophobicContact CB-CB 3.66Å; W300-N304 VanDerWaalsContact CD1-ND2 3.34Å; W300-N304 WeakPolarHBondContact O-CB 3.47Å; W300-N304 PolarHBondContact O-N 3.3Å; W300-N304 PolarHBondContact O-ND2 3.08Å; I301-N304 PolarHBondContact O-N 2.96Å
305	A	97.7	Very high	97	Very high	11 Å²	11	47.7 Å²	47.7	9%	0.091	24%	0.24	C	C	.	.			trans	-81.2	144.8	-176.7	0	0	0	0	0	112.5	A151 T152 I301 F307	A151-A305 HydrophobicContact CB-CB 4.06Å; T152-A305 WeakPolarHBondContact OG1-CA 3.3Å; I301-A305 HydrophobicContact CG2-CB 3.91Å; I301-A305 WeakPolarHBondContact O-CB 3.11Å; I301-A305 PolarHBondContact O-N 3.23Å; A305-F307 HydrophobicContact CB-CE2 4.43Å; A305-F307 VanDerWaalsContact O-CD2 3.25Å; A305-F307 WeakPolarHBondContact O-CD2 3.42Å; A305-F307 PolarHBondContact O-N 3.46Å
306	E	95.2	Very high	97	Very high	49 Å²	49	50.2 Å²	50.2	23%	0.229	25%	0.253	C	S	.	.			trans	-80	2	177.8	-65.6	169.9	-146.6	0	0	114.5	T152 S308 L313 A314	T152-E306 HydrophobicContact CG2-CB 4.26Å; T152-E306 PolarHBondContact OG1-N 3.06Å; T152-E306 VanDerWaalsContact OG1-N 3.1Å; E306-S308 PolarHBondContact O-N 3.1Å; E306-L313 WeakPolarHBondContact OE1-CA 3.43Å; E306-L313 WeakPolarHBondContact OE1-CB 3.04Å; E306-L313 PolarHBondContact OE1-N 3.49Å; E306-L313 WeakPolarHBondContact OE2-CB 3.3Å; E306-L313 VanDerWaalsContact OE2-CG 3.27Å; E306-L313 WeakPolarHBondContact OE2-CG 3.37Å; E306-L313 PolarHBondContact OE2-N 2.77Å; E306-A314 PolarHBondContact OE1-N 3.46Å
307	F	94.5	Very high	97	Very high	90 Å²	90	54.4 Å²	54.4	40%	0.395	27%	0.272	S	S	.	.			trans	47.5	29	-177.6	-70.7	-84.6	0	0	0	115.4	Y155 D296 I301 K302 A305	Y155-F307 HydrophobicContact CD2-CD1 4.05Å; Y155-F307 HydrophobicContact CD2-CE1 4.24Å; Y155-F307 VanDerWaalsContact CE1-C 3.41Å; Y155-F307 AromaticContact CE2-CD1 3.57Å; Y155-F307 HydrophobicContact CE2-CD1 3.57Å; Y155-F307 HydrophobicContact CE2-CE1 4.05Å; Y155-F307 AromaticContact CZ-CD1 3.95Å; Y155-F307 PolarHBondContact OH-O 3.28Å; D296-F307 HydrophobicContact CB-CE1 4.38Å; I301-F307 HydrophobicContact CG2-CE1 4.38Å; I301-F307 HydrophobicContact CG2-CZ 4.14Å; K302-F307 HydrophobicContact CG-CZ 4.35Å; A305-F307 HydrophobicContact CB-CE2 4.43Å; A305-F307 VanDerWaalsContact O-CD2 3.25Å; A305-F307 WeakPolarHBondContact O-CD2 3.42Å; A305-F307 PolarHBondContact O-N 3.46Å
308	S	95.8	Very high	97	Very high	25 Å²	25	51.6 Å²	51.6	18%	0.175	26%	0.257	C	S	.	.			trans	-115	129.6	177.3	-174.1	0	0	0	0	111.5	Q156 E306 N310	Q156-S308 WeakPolarHBondContact CG-O 3.22Å; Q156-S308 PolarHBondContact NE2-O 2.89Å; E306-S308 PolarHBondContact O-N 3.1Å; S308-N310 VanDerWaalsContact C-N 3.33Å; S308-N310 PolarHBondContact OG-N 3.25Å
309	V	96.3	Very high	96.8	Very high	34 Å²	34	49.1 Å²	49.1	21%	0.206	25%	0.247	C	C	.	.	S	Bend	trans	-81.5	-13.2	172.7	-64.4	0	0	0	0	113	P108 N109 Y155 K159	P108-V309 HydrophobicContact CB-CG2 4.44Å; P108-V309 HydrophobicContact CG-CG2 4.19Å; N109-V309 PolarHBondContact ND2-O 2.96Å; N109-V309 WeakPolarHBondContact OD1-CB 3.36Å; N109-V309 PolarHBondContact OD1-O 2.92Å; Y155-V309 HydrophobicContact CE1-CG1 4.1Å; K159-V309 HydrophobicContact CB-CG1 4.23Å; K159-V309 HydrophobicContact CG-CG1 4.08Å
310	N	96.8	Very high	96.7	Very high	72 Å²	72	50 Å²	50	39%	0.385	25%	0.249	S	C	.	.	S	Bend	trans	-109.9	-3	-170.7	-62.6	-67.6	0	0	0	114.2	P108 R184 S308	P108-N310 WeakPolarHBondContact CB-OD1 3.45Å; R184-N310 WeakPolarHBondContact CB-O 3.34Å; R184-N310 WeakPolarHBondContact CD-O 3.2Å; R184-N310 VanDerWaalsContact CZ-O 3.27Å; R184-N310 PolarHBondContact NE-O 3.31Å; R184-N310 PolarHBondContact NH1-O 2.97Å; S308-N310 VanDerWaalsContact C-N 3.33Å; S308-N310 PolarHBondContact OG-N 3.25Å
311	Q	96.8	Very high	96.4	Very high	49 Å²	49	54.1 Å²	54.1	23%	0.229	27%	0.271	C	S	.	.			trans	-157.8	158.5	178.2	74.7	-173.4	26	0	0	111.7	Q156 R184	Q156-Q311 PolarHBondContact NE2-O 3.28Å; R184-Q311 HydrophobicContact CB-CB 3.94Å; R184-Q311 CarbonylContact O-C 3.6Å; R184-Q311 VanDerWaalsContact O-CA 3.29Å; R184-Q311 WeakPolarHBondContact O-CA 3.07Å
312	C	97.8	Very high	96	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.28	C	S	.	.			trans	-133.9	101.6	162.7	179	0	0	0	0	107.9	T152 Y153 R184 G185 A314 A315 L316	T152-C312 HydrophobicContact CG2-CB 3.77Å; Y153-C312 HydrophobicContact CD1-CB 4.34Å; Y153-C312 HydrophobicContact CE1-CB 3.78Å; R184-C312 PolarHBondContact O-N 3.37Å; G185-C312 WeakPolarHBondContact O-CB 3.45Å; C312-A314 VanDerWaalsContact C-N 3.32Å; C312-A315 HydrophobicContact CB-CB 4.02Å; C312-A315 PolarHBondContact O-N 2.91Å; C312-A315 PolarHBondContact SG-N 3.37Å; C312-L316 WeakPolarHBondContact O-CG 3.33Å; C312-L316 PolarHBondContact O-N 3.23Å
313	L	97.4	Very high	95.4	Very high	80 Å²	80	53.7 Å²	53.7	42%	0.419	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-38.4	177.3	-61.7	170.1	0	0	0	111.4	E306 A315 L316 Q317	E306-L313 WeakPolarHBondContact OE1-CA 3.43Å; E306-L313 WeakPolarHBondContact OE1-CB 3.04Å; E306-L313 PolarHBondContact OE1-N 3.49Å; E306-L313 WeakPolarHBondContact OE2-CB 3.3Å; E306-L313 VanDerWaalsContact OE2-CG 3.27Å; E306-L313 WeakPolarHBondContact OE2-CG 3.37Å; E306-L313 PolarHBondContact OE2-N 2.77Å; L313-A315 VanDerWaalsContact C-N 3.29Å; L313-A315 PolarHBondContact O-N 2.64Å; L313-L316 HydrophobicContact CD2-CD1 4.27Å; L313-L316 CarbonylContact O-C 3.51Å; L313-L316 WeakPolarHBondContact O-CA 3.32Å; L313-L316 WeakPolarHBondContact O-CB 3.25Å; L313-L316 PolarHBondContact O-N 3.08Å; L313-Q317 WeakPolarHBondContact O-CG 3.49Å; L313-Q317 PolarHBondContact O-N 3.34Å
314	A	97.3	Very high	94.8	Very high	6 Å²	6	50.7 Å²	50.7	5%	0.05	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-43.1	176.1	0	0	0	0	0	111.6	R149 E306 C312 L316 Q317 D318	R149-A314 HydrophobicContact CB-CB 3.86Å; E306-A314 PolarHBondContact OE1-N 3.46Å; C312-A314 VanDerWaalsContact C-N 3.32Å; A314-L316 PolarHBondContact O-N 3.12Å; A314-Q317 PolarHBondContact O-N 2.84Å; A314-D318 VanDerWaalsContact O-CG 3.31Å; A314-D318 PolarHBondContact O-N 3.22Å
315	A	97.5	Very high	93.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-38.3	174	0	0	0	0	0	112.8	R149 Y153 C312 L313 W319	R149-A315 HydrophobicContact CG-CB 4.26Å; Y153-A315 HydrophobicContact CE1-CB 4.27Å; Y153-A315 WeakPolarHBondContact OH-CB 3.49Å; C312-A315 HydrophobicContact CB-CB 4.02Å; C312-A315 PolarHBondContact O-N 2.91Å; C312-A315 PolarHBondContact SG-N 3.37Å; L313-A315 VanDerWaalsContact C-N 3.29Å; L313-A315 PolarHBondContact O-N 2.64Å; A315-W319 HydrophobicContact CB-CH2 4.2Å; A315-W319 HydrophobicContact CB-CZ3 4.35Å; A315-W319 PolarHBondContact O-N 3.43Å
316	L	96.9	Very high	92.7	Very high	53 Å²	53	60.6 Å²	60.6	28%	0.277	31%	0.314	S	S	.	.	H	α-helix	trans	-65.6	-41.7	176.6	-66.5	169.5	0	0	0	111.7	C312 L313 A314 W319 E320	C312-L316 WeakPolarHBondContact O-CG 3.33Å; C312-L316 PolarHBondContact O-N 3.23Å; L313-L316 HydrophobicContact CD2-CD1 4.27Å; L313-L316 CarbonylContact O-C 3.51Å; L313-L316 WeakPolarHBondContact O-CA 3.32Å; L313-L316 WeakPolarHBondContact O-CB 3.25Å; L313-L316 PolarHBondContact O-N 3.08Å; A314-L316 PolarHBondContact O-N 3.12Å; L316-W319 HydrophobicContact CD2-CE3 3.83Å; L316-W319 HydrophobicContact CD2-CZ3 3.77Å; L316-W319 HydrophobicContact CG-CZ3 4.43Å; L316-W319 PolarHBondContact O-N 3.08Å; L316-E320 PolarHBondContact O-N 2.93Å
317	Q	96	Very high	91.2	Very high	111 Å²	111	62.4 Å²	62.4	52%	0.519	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-44.6	176.2	-72.6	172.3	-15	0	0	111.5	L313 A314 W319 E320 N321	L313-Q317 WeakPolarHBondContact O-CG 3.49Å; L313-Q317 PolarHBondContact O-N 3.34Å; A314-Q317 PolarHBondContact O-N 2.84Å; Q317-W319 VanDerWaalsContact C-N 3.28Å; Q317-W319 PolarHBondContact O-N 3.44Å; Q317-E320 PolarHBondContact O-N 2.84Å; Q317-N321 WeakPolarHBondContact O-CB 3.34Å; Q317-N321 VanDerWaalsContact O-CG 3.23Å; Q317-N321 PolarHBondContact O-N 3.08Å; Q317-N321 PolarHBondContact O-ND2 3.44Å
318	D	95.1	Very high	89.3	Confident	41 Å²	41	63.6 Å²	63.6	22%	0.219	35%	0.346	C	S	.	.	H	α-helix	trans	-54.9	-44.6	174.6	-77.4	-7.7	0	0	0	111.7	F142 R149 A314 N321 V322	F142-D318 HydrophobicContact CE1-CB 3.69Å; F142-D318 HydrophobicContact CZ-CB 3.88Å; R149-D318 WeakPolarHBondContact CD-OD2 3.26Å; R149-D318 IonicContact CZ-OD2 2.58Å; R149-D318 IonicContact NE-OD2 3.87Å; R149-D318 IonicContact NH1-OD2 3.73Å; R149-D318 PolarHBondContact NH1-OD2 2.58Å; A314-D318 VanDerWaalsContact O-CG 3.31Å; A314-D318 PolarHBondContact O-N 3.22Å; D318-N321 PolarHBondContact O-N 2.96Å; D318-V322 WeakPolarHBondContact O-CG2 3.34Å; D318-V322 PolarHBondContact O-N 3.29Å; D318-V322 VanDerWaalsContact O-N 3.14Å
319	W	95.3	Very high	86.6	Confident	13 Å²	13	67.3 Å²	67.3	5%	0.049	37%	0.371	C	S	.	.	H	α-helix	trans	-67.5	-38.5	177.4	-68.7	-32.5	0	0	0	113.9	R132 E138 L181 A315 L316 Q317 S323	R132-W319 VanDerWaalsContact CD-CZ2 3.47Å; R132-W319 HydrophobicContact CG-CH2 4.4Å; R132-W319 VanDerWaalsContact NH1-CD2 3.33Å; E138-W319 PolarHBondContact OE1-NE1 3.23Å; L181-W319 HydrophobicContact CD1-CZ2 4.21Å; A315-W319 HydrophobicContact CB-CH2 4.2Å; A315-W319 HydrophobicContact CB-CZ3 4.35Å; A315-W319 PolarHBondContact O-N 3.43Å; L316-W319 HydrophobicContact CD2-CE3 3.83Å; L316-W319 HydrophobicContact CD2-CZ3 3.77Å; L316-W319 HydrophobicContact CG-CZ3 4.43Å; L316-W319 PolarHBondContact O-N 3.08Å; Q317-W319 VanDerWaalsContact C-N 3.28Å; Q317-W319 PolarHBondContact O-N 3.44Å; W319-S323 WeakPolarHBondContact O-CB 3.27Å; W319-S323 PolarHBondContact O-N 2.89Å; W319-S323 PolarHBondContact O-OG 3.44Å
320	E	94	Very high	83.8	Confident	119 Å²	119	71.3 Å²	71.3	56%	0.556	40%	0.398	S	S	*	.	H	α-helix	trans	-63.8	-44.6	176.4	-174	169.9	-163.8	0	0	110.7	L316 Q317 V322 S323 N324	L316-E320 PolarHBondContact O-N 2.93Å; Q317-E320 PolarHBondContact O-N 2.84Å; E320-V322 PolarHBondContact O-N 3.43Å; E320-S323 PolarHBondContact O-N 3.43Å; E320-S323 VanDerWaalsContact O-N 3.16Å; E320-N324 PolarHBondContact O-N 2.91Å; E320-N324 PolarHBondContact O-ND2 3.15Å
321	N	91.9	Very high	80.8	Confident	89 Å²	89	73.4 Å²	73.4	48%	0.476	42%	0.418	S	S	.	.	H	α-helix	trans	-59.5	-46.6	177.5	-70.5	-27.6	0	0	0	112.3	Q317 D318 S323 N324 Q325	Q317-N321 WeakPolarHBondContact O-CB 3.34Å; Q317-N321 VanDerWaalsContact O-CG 3.23Å; Q317-N321 PolarHBondContact O-N 3.08Å; Q317-N321 PolarHBondContact O-ND2 3.44Å; D318-N321 PolarHBondContact O-N 2.96Å; N321-S323 VanDerWaalsContact C-N 3.32Å; N321-S323 PolarHBondContact O-N 2.85Å; N321-N324 PolarHBondContact O-N 3.36Å; N321-Q325 WeakPolarHBondContact O-CG 3.35Å; N321-Q325 PolarHBondContact O-N 3.01Å; N321-Q325 VanDerWaalsContact O-N 3.1Å
322	V	89.3	Confident	77.8	Confident	31 Å²	31	76.2 Å²	76.2	19%	0.188	44%	0.443	C	S	.	.	H	α-helix	trans	-66.3	-35.4	177	177.9	0	0	0	0	111.7	F142 D318 E320 N326	F142-V322 HydrophobicContact CE1-CG2 3.65Å; F142-V322 HydrophobicContact CZ-CG2 3.67Å; D318-V322 WeakPolarHBondContact O-CG2 3.34Å; D318-V322 PolarHBondContact O-N 3.29Å; D318-V322 VanDerWaalsContact O-N 3.14Å; E320-V322 PolarHBondContact O-N 3.43Å; V322-N326 PolarHBondContact O-N 3.21Å
323	S	87	Confident	74.8	Confident	67 Å²	67	81.2 Å²	81.2	47%	0.469	48%	0.478	S	S	.	.	H	α-helix	trans	-66.9	-41.7	178.3	-56.9	0	0	0	0	111.6	W319 E320 N321 N326 S327	W319-S323 WeakPolarHBondContact O-CB 3.27Å; W319-S323 PolarHBondContact O-N 2.89Å; W319-S323 PolarHBondContact O-OG 3.44Å; E320-S323 PolarHBondContact O-N 3.43Å; E320-S323 VanDerWaalsContact O-N 3.16Å; N321-S323 VanDerWaalsContact C-N 3.32Å; N321-S323 PolarHBondContact O-N 2.85Å; S323-N326 PolarHBondContact O-N 2.95Å; S323-S327 PolarHBondContact O-N 3.13Å; S323-S327 PolarHBondContact O-OG 2.7Å
324	N	84.2	Confident	71.6	Confident	83 Å²	83	81.7 Å²	81.7	44%	0.444	49%	0.488	S	S	.	.	H	α-helix	trans	-68.8	-33.2	178.3	-71.5	-24.1	0	0	0	113.4	E320 N321 N326 S327 T328	E320-N324 PolarHBondContact O-N 2.91Å; E320-N324 PolarHBondContact O-ND2 3.15Å; N321-N324 PolarHBondContact O-N 3.36Å; N324-N326 VanDerWaalsContact C-N 3.33Å; N324-S327 WeakPolarHBondContact CA-OG 3.34Å; N324-S327 PolarHBondContact O-N 2.79Å; N324-S327 PolarHBondContact O-OG 3.29Å; N324-T328 PolarHBondContact O-N 3.18Å; N324-T328 PolarHBondContact O-OG1 2.82Å
325	Q	77.4	Confident	68.6	Low	139 Å²	139	91.3 Å²	91.3	65%	0.65	52%	0.524	S	S	*	.	H	α-helix	trans	-67.2	-34.6	173.3	-73.2	178.2	3.3	0	0	112	N321 T328	N321-Q325 WeakPolarHBondContact O-CG 3.35Å; N321-Q325 PolarHBondContact O-N 3.01Å; N321-Q325 VanDerWaalsContact O-N 3.1Å; Q325-T328 PolarHBondContact O-OG1 3.31Å
326	N	73.9	Confident	65.3	Low	122 Å²	122	99 Å²	99	65%	0.652	56%	0.561	S	S	*	*	H	α-helix	trans	-74.6	-26	177.4	-72.5	-18.2	0	0	0	113.4	V322 S323 N324	V322-N326 PolarHBondContact O-N 3.21Å; S323-N326 PolarHBondContact O-N 2.95Å; N324-N326 VanDerWaalsContact C-N 3.33Å
327	S	64.3	Low	62.1	Low	87 Å²	87	103.3 Å²	103.3	61%	0.608	59%	0.594	S	S	*	*	H	α-helix	trans	-88.8	-4.9	180	36	0	0	0	0	115	S323 N324	S323-S327 PolarHBondContact O-N 3.13Å; S323-S327 PolarHBondContact O-OG 2.7Å; N324-S327 WeakPolarHBondContact CA-OG 3.34Å; N324-S327 PolarHBondContact O-N 2.79Å; N324-S327 PolarHBondContact O-OG 3.29Å
328	T	55.3	Low	59.3	Low	114 Å²	114	101.8 Å²	101.8	70%	0.699	60%	0.595	S	S	*	*			trans	-97.3	15.2	-176.9	38.6	0	0	0	0	115.2	N324 Q325	N324-T328 PolarHBondContact O-N 3.18Å; N324-T328 PolarHBondContact O-OG1 2.82Å; Q325-T328 PolarHBondContact O-OG1 3.31Å
329	C	37.6	Very low	56.2	Low	104 Å²	104	103.4 Å²	103.4	70%	0.703	61%	0.61	S	S	*	*	S	Bend	trans	-75.6	137.8	168.1	-74.2	0	0	0	0	111.8
330	P	37.6	Very low	53.6	Low	118 Å²	118	108 Å²	108	77%	0.766	64%	0.639	S	S	*	*			trans	-76.8	135.1	-172	1.6	13.6	0	0	0	113.5	S332	P330-S332 PolarHBondContact O-N 2.77Å
331	S	34.3	Very low	51	Low	116 Å²	116	109.2 Å²	109.2	81%	0.811	64%	0.643	S	S	*	*			trans	-9.4	109.3	161.9	57.3	0	0	0	0	118.3
332	S	34.8	Very low	48.5	Very low	108 Å²	108	109.3 Å²	109.3	76%	0.755	65%	0.647	S	S	*	*			trans	-165.1	141.1	133.4	50.4	0	0	0	0	110.5	P330	P330-S332 PolarHBondContact O-N 2.77Å
333	S	34.4	Very low	46.2	Very low	104 Å²	104	113.2 Å²	113.2	73%	0.727	67%	0.666	S	S	*	*			trans	62.7	91.7	172.3	58.9	0	0	0	0	119.1
334	S	30.1	Very low	44.4	Very low	90 Å²	90	111.9 Å²	111.9	63%	0.629	66%	0.656	S	S	*	*				36.1	128.1	119.7	65.9	0	0	0	0	121.1
335	Y	33	Very low	42.7	Very low	208 Å²	208	110 Å²	110	82%	0.816	64%	0.643	S	S	*	*			trans	109.2	119.8	150.6	-63.4	-75.9	0	0	0	118.7
336	E	29.2	Very low	40.8	Very low	163 Å²	163	106.4 Å²	106.4	76%	0.762	63%	0.634	S	S	*	*			trans	72.8	87.1	148.5	-66.1	-178.6	174.6	0	0	119.6	S338	E336-S338 PolarHBondContact O-N 2.83Å
337	C	29.8	Very low	38.7	Very low	143 Å²	143	107.9 Å²	107.9	97%	0.966	64%	0.642	S	S	*	*			trans	-78.3	97.1	156.4	-162.9	0	0	0	0	109.1
338	S	36.1	Very low	37.2	Very low	79 Å²	79	115.4 Å²	115.4	55%	0.552	68%	0.675	S	S	*	*			trans	-78.9	125.8	-175.6	-34.9	0	0	0	0	112.7	E336 T340	E336-S338 PolarHBondContact O-N 2.83Å; S338-T340 PolarHBondContact O-N 3.15Å
339	S	31	Very low	36.3	Very low	75 Å²	75	115.5 Å²	115.5	52%	0.524	67%	0.674	S	S	.	*			trans	-61.5	82.6	168.8	49.9	0	0	0	0	113	F341	S339-F341 VanDerWaalsContact C-N 3.3Å; S339-F341 PolarHBondContact O-N 3.03Å
340	T	39.8	Very low	36.2	Very low	110 Å²	110	116.1 Å²	116.1	68%	0.675	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-0.5	-176.7	25.2	0	0	0	0	115.7	S338	S338-T340 PolarHBondContact O-N 3.15Å
341	F	39.1	Very low	36.2	Very low	144 Å²	144	116 Å²	116	63%	0.632	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-21.3	176.8	-136	-93.9	0	0	0	114.1	S339	S339-F341 VanDerWaalsContact C-N 3.3Å; S339-F341 PolarHBondContact O-N 3.03Å
342	V	40.7	Very low	36.3	Very low	91 Å²	91	116 Å²	116	55%	0.552	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-31.8	-179.8	-176.6	0	0	0	0	111.3	T344 S346	V342-T344 VanDerWaalsContact C-N 3.29Å; V342-T344 PolarHBondContact O-N 3.27Å; V342-S346 WeakPolarHBondContact O-CB 3.32Å; V342-S346 PolarHBondContact O-OG 2.87Å
343	N	41.1	Very low	36.4	Very low	112 Å²	112	116.5 Å²	116.5	60%	0.599	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-2.4	-175.3	-72.5	-4.9	0	0	0	115.8
344	T	49.3	Very low	36.5	Very low	40 Å²	40	117.3 Å²	117.3	25%	0.245	65%	0.648	C	S	.	*	T	Hydrogen-bonded Turn	trans	-84.6	-16.3	-179.9	-48.8	0	0	0	0	112.8	R54 L66 V342	R54-T344 HydrophobicContact CB-CG2 4.49Å; R54-T344 HydrophobicContact CG-CG2 4.35Å; L66-T344 HydrophobicContact CD2-CG2 4.15Å; V342-T344 VanDerWaalsContact C-N 3.29Å; V342-T344 PolarHBondContact O-N 3.27Å
345	F	48.6	Very low	36.9	Very low	42 Å²	42	119.3 Å²	119.3	18%	0.184	65%	0.649	C	S	.	*	S	Bend	trans	-136.5	18.7	-176.9	-68.3	-73.5	0	0	0	113.6	D51 L66 R68	D51-F345 HydrophobicContact CB-CD1 3.83Å; D51-F345 HydrophobicContact CB-CE1 3.9Å; D51-F345 WeakPolarHBondContact O-CE1 3.2Å; L66-F345 HydrophobicContact CD2-CE2 3.9Å; L66-F345 HydrophobicContact CD2-CZ 4.13Å; L66-F345 HydrophobicContact CG-CE2 4.26Å; L66-F345 HydrophobicContact CG-CZ 4.06Å; R68-F345 HydrophobicContact CB-CD1 4.41Å; R68-F345 HydrophobicContact CB-CE1 3.89Å; R68-F345 HydrophobicContact CB-CE2 4.32Å; R68-F345 HydrophobicContact CB-CZ 3.83Å
346	S	36.1	Very low	37.2	Very low	64 Å²	64	112.5 Å²	112.5	45%	0.448	64%	0.636	S	S	.	*			trans	-122.5	80.1	179.3	-68.3	0	0	0	0	108.5	V342	V342-S346 WeakPolarHBondContact O-CB 3.32Å; V342-S346 PolarHBondContact O-OG 2.87Å
347	N	31.3	Very low	37.9	Very low	154 Å²	154	108.3 Å²	108.3	82%	0.824	63%	0.626	S	S	*	*			trans	-162.5	119.6	151.6	-86.1	-28.4	0	0	0	105
348	D	32.1	Very low	38.7	Very low	245 Å²	245	105.1 Å²	105.1	100%	1.31	60%	0.595	S	S	*	*			trans	83.2	0	-173.9	-54.1	-23.3	0	0	0	118.7

Retrieved 348 of 348 residues in 522.5 ms (Link to these results)

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