A0A3Q0KTY2_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KTY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 607 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	39.2	Very low	41.5	Very low	231 Å²	231	146.5 Å²	146.5	100%	1.138	79%	0.789	S	S	*	*				0	145.3	0	-75.4	176.8	171.6	0	0	108.1
2	L	40.5	Very low	41.6	Very low	151 Å²	151	142.2 Å²	142.2	79%	0.791	78%	0.778	S	S	*	*			trans	45.6	101.5	166.3	-73.6	88.5	0	0	0	117.8
3	T	38.2	Very low	41.7	Very low	117 Å²	117	142 Å²	142	72%	0.718	78%	0.776	S	S	*	*				62.9	109	90.1	59.1	0	0	0	0	113.7
4	Q	39.8	Very low	41.7	Very low	174 Å²	174	148.6 Å²	148.6	81%	0.813	78%	0.784	S	S	*	*				62.3	111	63.6	-68.9	-162.7	24.8	0	0	116
5	Q	43.1	Very low	41.4	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.874	78%	0.775	S	S	*	*			trans	174.2	131.2	136.3	-93.4	160	40	0	0	106.9
6	T	40.5	Very low	41.8	Very low	102 Å²	102	146.6 Å²	146.6	63%	0.626	79%	0.785	S	S	*	*			cis	87.1	102.2	21.2	75.8	0	0	0	0	117.5
7	N	44.5	Very low	41.6	Very low	155 Å²	155	152.8 Å²	152.8	83%	0.829	80%	0.795	S	S	*	*			trans	-150.8	131.9	147.9	-84.6	-35.6	0	0	0	105.2
8	Q	43.9	Very low	41.5	Very low	157 Å²	157	148.6 Å²	148.6	73%	0.734	80%	0.795	S	S	*	*			cis	70.7	135.6	36.7	-53.4	-156.8	71	0	0	112.5
9	T	42	Very low	41.4	Very low	111 Å²	111	147.5 Å²	147.5	68%	0.681	80%	0.801	S	S	*	*			cis	-159.9	170.6	18.2	-19.5	0	0	0	0	113.5
10	S	42.1	Very low	41.3	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	79%	0.792	S	S	*	*			trans	77.6	146	143.8	76.2	0	0	0	0	120.2
11	T	42.4	Very low	41.3	Very low	125 Å²	125	142.5 Å²	142.5	77%	0.767	79%	0.792	S	S	*	*			cis	-162.9	148.3	-10.8	11.6	0	0	0	0	113.2
12	S	43.2	Very low	41.4	Very low	95 Å²	95	138 Å²	138	66%	0.664	78%	0.777	S	S	*	*			trans	34.9	143.6	145.7	68.9	0	0	0	0	122
13	N	43.2	Very low	41.5	Very low	140 Å²	140	135 Å²	135	75%	0.749	77%	0.769	S	S	*	*				-163.3	171.8	54.9	-135.1	-25	0	0	0	117.1
14	R	40.7	Very low	41.8	Very low	234 Å²	234	137.5 Å²	137.5	88%	0.883	77%	0.773	S	S	*	*			trans	-67.8	165.5	-180	-59.6	151.5	167.7	162.4	-6.5	113.4
15	G	38.3	Very low	41.8	Very low	64 Å²	64	138.7 Å²	138.7	66%	0.66	78%	0.775	S	S	*	*			cis	122.8	123.7	-3.4	0	0	0	0	0	114.9
16	H	47.3	Very low	41.8	Very low	202 Å²	202	136.5 Å²	136.5	94%	0.935	76%	0.763	S	S	*	*			trans	-156.2	174.4	172.3	-113.9	53.5	0	0	0	114.5
17	R	37.8	Very low	41.7	Very low	251 Å²	251	137.4 Å²	137.4	95%	0.947	76%	0.76	S	S	*	*			trans	-144.1	146	-164	-114.4	-176.1	176.8	-172.5	-0.6	114.9
18	G	39.7	Very low	41.5	Very low	77 Å²	77	135.7 Å²	135.7	79%	0.794	75%	0.747	S	S	*	*			trans	92.5	168.9	156.2	0	0	0	0	0	118.1
19	S	40	Very low	41.2	Very low	129 Å²	129	135.7 Å²	135.7	90%	0.902	74%	0.74	S	S	*	*			cis	-169.4	142.6	-17.9	-159	0	0	0	0	113.4
20	G	39.2	Very low	41.1	Very low	62 Å²	62	138.8 Å²	138.8	64%	0.639	75%	0.747	S	S	*	*			trans	69.4	169	165.4	0	0	0	0	0	118.4
21	T	41.2	Very low	41.1	Very low	127 Å²	127	141.9 Å²	141.9	78%	0.779	75%	0.75	S	S	*	*			cis	-170.9	135.9	-19.6	6.6	0	0	0	0	111.5
22	T	41.8	Very low	40.8	Very low	136 Å²	136	141.1 Å²	141.1	83%	0.834	75%	0.749	S	S	*	*			trans	61.3	159.3	156.7	60.3	0	0	0	0	119
23	S	42.6	Very low	40.5	Very low	88 Å²	88	140.5 Å²	140.5	62%	0.615	76%	0.758	S	S	*	*			cis	-164.8	149.5	13.7	-136.5	0	0	0	0	115.5
24	Q	43.4	Very low	40.2	Very low	171 Å²	171	143.9 Å²	143.9	80%	0.799	77%	0.766	S	S	*	*			trans	45.2	129.2	140.1	-64.7	173.7	7.4	0	0	125.8
25	K	41.6	Very low	40.4	Very low	198 Å²	198	142 Å²	142	86%	0.861	77%	0.768	S	S	*	*				153.9	153	124.8	-89.9	-177.3	179.2	177.4	0	112.1
26	K	41.3	Very low	40.4	Very low	142 Å²	142	146.6 Å²	146.6	62%	0.617	78%	0.777	S	S	*	*			cis	-156.9	164.7	-25.6	-153.6	-150.2	169.6	-163.4	0	109.1	E28	K26-E28 IonicContact NZ-OE1 3.36Å; K26-E28 PolarHBondContact NZ-OE1 2.76Å
27	E	40.3	Very low	40.1	Very low	121 Å²	121	143.9 Å²	143.9	57%	0.565	77%	0.769	S	S	*	*			trans	-52	-177.7	170.8	-47.8	159.4	90.9	0	0	114.8	R29	E27-R29 IonicContact OE1-CZ 3.68Å; E27-R29 IonicContact OE1-NE 3.71Å; E27-R29 PolarHBondContact OE1-NE 2.89Å; E27-R29 IonicContact OE1-NH2 2.8Å; E27-R29 PolarHBondContact OE1-NH2 3.42Å; E27-R29 IonicContact OE2-NH2 2.68Å
28	E	38.9	Very low	40.2	Very low	118 Å²	118	140.1 Å²	140.1	55%	0.551	76%	0.764	S	S	*	*			cis	-161	174.2	34.6	-64.5	-176.1	-143	0	0	110.6	K26	K26-E28 IonicContact NZ-OE1 3.36Å; K26-E28 PolarHBondContact NZ-OE1 2.76Å
29	R	38.5	Very low	40.3	Very low	158 Å²	158	144.7 Å²	144.7	60%	0.596	77%	0.765	S	S	*	*			cis	-173.7	160.9	-29.2	-89	163.5	-167.1	169.5	-9	108.1	E27	E27-R29 IonicContact OE1-CZ 3.68Å; E27-R29 IonicContact OE1-NE 3.71Å; E27-R29 PolarHBondContact OE1-NE 2.89Å; E27-R29 IonicContact OE1-NH2 2.8Å; E27-R29 PolarHBondContact OE1-NH2 3.42Å; E27-R29 IonicContact OE2-NH2 2.68Å
30	Q	40.3	Very low	40.5	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.822	76%	0.763	S	S	*	*			trans	68.4	161.9	153	-79.2	170.5	23.6	0	0	120.7
31	H	40.9	Very low	40.4	Very low	166 Å²	166	152 Å²	152	77%	0.769	77%	0.774	S	S	*	*			cis	-159.7	159.3	-27.7	-150.5	57.4	0	0	0	112.4
32	S	35.6	Very low	40.3	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	77%	0.772	S	S	*	*			trans	36.2	127.1	158.5	63.5	0	0	0	0	123.6
33	G	38.5	Very low	40.3	Very low	82 Å²	82	149.5 Å²	149.5	85%	0.845	77%	0.769	S	S	*	*			trans	-172	117.9	156.9	0	0	0	0	0	113.7
34	K	36.8	Very low	40	Very low	211 Å²	211	157.2 Å²	157.2	92%	0.917	79%	0.785	S	S	*	*			trans	-97	131.7	171.4	-78.3	-176.2	178.1	178.9	0	110.1
35	Q	43.7	Very low	39.9	Very low	196 Å²	196	154.4 Å²	154.4	92%	0.916	79%	0.785	S	S	*	*			trans	-152.4	143.8	151.9	-114.8	167.7	9.1	0	0	110.5
36	N	38.7	Very low	39.8	Very low	160 Å²	160	149.4 Å²	149.4	86%	0.856	77%	0.774	S	S	*	*			trans	-79.4	147.5	177.4	-61.4	-25.8	0	0	0	109.6
37	N	41.8	Very low	39.8	Very low	144 Å²	144	154.5 Å²	154.5	77%	0.77	79%	0.79	S	S	*	*			trans	-144.5	134.1	149	-148.2	-3.1	0	0	0	110.6
38	M	39.1	Very low	39.9	Very low	172 Å²	172	157.1 Å²	157.1	85%	0.847	80%	0.802	S	S	*	*			trans	-95.2	115.1	179	-70.9	168	63	0	0	108.6
39	Q	42	Very low	40.5	Very low	174 Å²	174	154.1 Å²	154.1	81%	0.813	80%	0.803	S	S	*	*			trans	-127.1	84.5	172.6	-104.4	171.5	-15.3	0	0	111.7
40	Q	45	Very low	41.6	Very low	181 Å²	181	154.4 Å²	154.4	85%	0.846	82%	0.816	S	S	*	*			trans	26.9	133.8	139.7	-67.4	173.5	-15	0	0	119.6	A42	Q40-A42 PolarHBondContact O-N 2.53Å
41	D	35.5	Very low	43.3	Very low	163 Å²	163	149.4 Å²	149.4	87%	0.872	80%	0.798	S	S	*	*			trans	-50.7	109.8	179.5	-55.7	-98.2	0	0	0	114.7
42	A	39.7	Very low	45.7	Very low	89 Å²	89	145.3 Å²	145.3	74%	0.736	78%	0.781	S	S	*	*			trans	-77.5	127.9	151.3	0	0	0	0	0	108.4	Q40 R44	Q40-A42 PolarHBondContact O-N 2.53Å; A42-R44 PolarHBondContact O-N 3.23Å
43	P	41.3	Very low	48.5	Very low	121 Å²	121	143.9 Å²	143.9	79%	0.786	77%	0.765	S	S	*	*			trans	-61.4	135.6	177.6	26.1	-33.8	0	0	0	109.5	S45	P43-S45 PolarHBondContact O-N 2.88Å
44	R	37.9	Very low	51.1	Low	250 Å²	250	140 Å²	140	94%	0.943	72%	0.724	S	S	*	*			trans	-56.9	104.2	175.7	-75.6	179.6	173	170.2	-1.4	109.2	A42 S46	A42-R44 PolarHBondContact O-N 3.23Å; R44-S46 PolarHBondContact O-N 3.47Å
45	S	40.3	Very low	53.9	Low	113 Å²	113	131.1 Å²	131.1	79%	0.79	69%	0.692	S	S	*	*			trans	-53.9	133.1	171.7	51.4	0	0	0	0	108.6	P43 R47	P43-S45 PolarHBondContact O-N 2.88Å; S45-R47 PolarHBondContact O-N 2.76Å
46	S	40.1	Very low	56.2	Low	93 Å²	93	126 Å²	126	65%	0.65	68%	0.676	S	S	*	*			trans	-56.5	135.5	-175.1	40	0	0	0	0	110.1	R44 E48	R44-S46 PolarHBondContact O-N 3.47Å; S46-E48 PolarHBondContact O-N 2.61Å
47	R	41.5	Very low	58.9	Low	249 Å²	249	118.9 Å²	118.9	94%	0.94	64%	0.638	S	S	*	*			trans	-62.7	88.5	161.3	-87.9	-179.1	163.8	173.8	-5.5	108.1	S45 G49	S45-R47 PolarHBondContact O-N 2.76Å; R47-G49 PolarHBondContact O-N 2.88Å
48	E	41.5	Very low	61.6	Low	176 Å²	176	112.4 Å²	112.4	82%	0.822	60%	0.603	S	S	*	*			trans	-69.5	65.5	157.5	-64.2	-162.5	136	0	0	108	S46 N50	S46-E48 PolarHBondContact O-N 2.61Å; E48-N50 PolarHBondContact O-N 3.38Å
49	G	51.1	Low	64.3	Low	55 Å²	55	109.9 Å²	109.9	57%	0.567	58%	0.584	S	S	*	*			trans	-70.1	84	-178.6	0	0	0	0	0	109.4	R47 T51	R47-G49 PolarHBondContact O-N 2.88Å; G49-T51 VanDerWaalsContact C-N 3.34Å; G49-T51 WeakPolarHBondContact O-CA 3.25Å; G49-T51 PolarHBondContact O-N 2.69Å; G49-T51 PolarHBondContact O-OG1 2.93Å
50	N	62.2	Low	66.9	Low	164 Å²	164	102.4 Å²	102.4	88%	0.877	55%	0.55	S	S	*	*			trans	16.3	71	172.2	-151.8	5.1	0	0	0	113.4	E48 L52	E48-N50 PolarHBondContact O-N 3.38Å; N50-L52 PolarHBondContact O-N 2.87Å
51	T	75.4	Confident	69.2	Low	71 Å²	71	95.3 Å²	95.3	44%	0.436	53%	0.526	S	S	.	.			trans	-75.1	102.1	-165.4	-70	0	0	0	0	110.1	G49 L53 R59	G49-T51 VanDerWaalsContact C-N 3.34Å; G49-T51 WeakPolarHBondContact O-CA 3.25Å; G49-T51 PolarHBondContact O-N 2.69Å; G49-T51 PolarHBondContact O-OG1 2.93Å; T51-L53 PolarHBondContact O-N 3.07Å; T51-R59 HydrophobicContact CG2-CG 3.63Å
52	L	91.3	Very high	72	Confident	79 Å²	79	91.2 Å²	91.2	41%	0.414	50%	0.501	S	S	.	.			trans	-63.4	122.9	-176.5	-168.5	66.8	0	0	0	110.9	N50 V60 V125	N50-L52 PolarHBondContact O-N 2.87Å; L52-V60 HydrophobicContact CB-CB 4.15Å; L52-V60 HydrophobicContact CB-CG2 4.31Å; L52-V60 HydrophobicContact CD2-CB 4.37Å; L52-V60 HydrophobicContact CD2-CG1 4.41Å; L52-V60 HydrophobicContact CD2-CG2 4.19Å; L52-V60 HydrophobicContact CG-CB 4.41Å; L52-V60 HydrophobicContact CG-CG2 4.1Å; L52-V60 WeakPolarHBondContact O-CB 3.45Å; L52-V60 WeakPolarHBondContact O-CG2 3.31Å; L52-V60 PolarHBondContact O-N 3.04Å; L52-V125 HydrophobicContact CD1-CG2 3.6Å; L52-V125 HydrophobicContact CD2-CG2 3.9Å; L52-V125 HydrophobicContact CG-CG2 3.6Å
53	L	94.8	Very high	74.6	Confident	79 Å²	79	91.8 Å²	91.8	41%	0.414	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	143.6	175.8	-63.2	176.3	0	0	0	110	T51 F58 R59 L78 V125	T51-L53 PolarHBondContact O-N 3.07Å; L53-F58 CarbonylContact C-O 3.46Å; L53-F58 WeakPolarHBondContact CA-O 3.31Å; L53-R59 HydrophobicContact CD2-CB 4.19Å; L53-L78 HydrophobicContact CD2-CD1 3.92Å; L53-V125 VanDerWaalsContact O-CG2 3.26Å; L53-V125 WeakPolarHBondContact O-CG2 3.1Å
54	V	94.5	Very high	77	Confident	0 Å²	0	89.5 Å²	89.5	0%	0	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130	165.2	177.2	0	0	0	0	107.7	F58 V60 I86 Y121 V125 A130 V132	V54-F58 HydrophobicContact CB-CB 4.25Å; V54-F58 PolarHBondContact N-O 3.46Å; V54-F58 WeakPolarHBondContact O-CB 3.48Å; V54-F58 WeakPolarHBondContact O-CD2 3.18Å; V54-F58 PolarHBondContact O-N 3.1Å; V54-F58 VanDerWaalsContact O-N 3.09Å; V54-V60 HydrophobicContact CG2-CG2 3.6Å; V54-I86 HydrophobicContact CG2-CD1 4.31Å; V54-I86 HydrophobicContact CG2-CG2 4.14Å; V54-Y121 HydrophobicContact CG1-CD1 3.46Å; V54-Y121 VanDerWaalsContact CG1-CD1 3.46Å; V54-Y121 HydrophobicContact CG1-CE1 3.58Å; V54-V125 HydrophobicContact CG2-CB 3.86Å; V54-V125 HydrophobicContact CG2-CG1 3.93Å; V54-V125 HydrophobicContact CG2-CG2 3.84Å; V54-A130 HydrophobicContact CB-CB 4.5Å; V54-A130 HydrophobicContact CG1-CB 3.66Å; V54-A130 HydrophobicContact CG2-CB 3.92Å; V54-V132 HydrophobicContact CB-CG2 4.1Å; V54-V132 HydrophobicContact CG1-CG2 3.44Å; V54-V132 VanDerWaalsContact CG1-CG2 3.44Å
55	G	93.9	Very high	79.2	Confident	24 Å²	24	78.6 Å²	78.6	25%	0.247	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-155.4	-171.8	0	0	0	0	0	112.3
56	P	92.7	Very high	81.1	Confident	89 Å²	89	78.1 Å²	78.1	58%	0.578	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.3	-176.6	30.4	-33.4	0	0	0	114
57	N	96.2	Very high	82.5	Confident	11 Å²	11	75.7 Å²	75.7	6%	0.059	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.5	-3.3	-160	67.6	-48.8	0	0	0	116.7	N77 L78 Y79	N57-N77 VanDerWaalsContact ND2-CG 3.29Å; N57-N77 PolarHBondContact ND2-ND2 2.81Å; N57-N77 PolarHBondContact ND2-OD1 3.38Å; N57-L78 WeakPolarHBondContact O-CB 3.07Å; N57-L78 WeakPolarHBondContact O-CG 3Å; N57-L78 PolarHBondContact O-N 3.28Å; N57-Y79 HydrophobicContact CB-CD1 4.08Å; N57-Y79 HydrophobicContact CB-CD2 3.67Å; N57-Y79 HydrophobicContact CB-CE1 3.9Å; N57-Y79 HydrophobicContact CB-CE2 3.49Å; N57-Y79 VanDerWaalsContact CB-CE2 3.49Å; N57-Y79 HydrophobicContact CB-CG 3.97Å
58	F	97.6	Very high	83.8	Confident	8 Å²	8	71 Å²	71	4%	0.035	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	101.9	-176.7	-57.4	-76.3	0	0	0	111.8	L53 V54 V60 N77 V84 I86 Y120 V132	L53-F58 CarbonylContact C-O 3.46Å; L53-F58 WeakPolarHBondContact CA-O 3.31Å; V54-F58 HydrophobicContact CB-CB 4.25Å; V54-F58 PolarHBondContact N-O 3.46Å; V54-F58 WeakPolarHBondContact O-CB 3.48Å; V54-F58 WeakPolarHBondContact O-CD2 3.18Å; V54-F58 PolarHBondContact O-N 3.1Å; V54-F58 VanDerWaalsContact O-N 3.09Å; F58-V60 PolarHBondContact O-N 2.7Å; F58-N77 HydrophobicContact CD1-CB 3.88Å; F58-N77 HydrophobicContact CE1-CB 3.75Å; F58-V84 HydrophobicContact CD1-CG1 4.34Å; F58-V84 HydrophobicContact CD1-CG2 4Å; F58-V84 HydrophobicContact CE1-CG1 4.25Å; F58-I86 HydrophobicContact CB-CD1 4.36Å; F58-Y120 HydrophobicContact CZ-CG 4.4Å; F58-V132 HydrophobicContact CB-CG1 4.28Å; F58-V132 HydrophobicContact CB-CG2 4.39Å; F58-V132 HydrophobicContact CD1-CG1 3.68Å; F58-V132 HydrophobicContact CD2-CB 4.42Å; F58-V132 HydrophobicContact CD2-CG1 4.09Å; F58-V132 HydrophobicContact CD2-CG2 4.17Å; F58-V132 HydrophobicContact CE1-CG1 3.95Å; F58-V132 HydrophobicContact CE2-CG1 4.35Å; F58-V132 HydrophobicContact CG-CB 4.5Å; F58-V132 HydrophobicContact CG-CG1 3.75Å; F58-V132 HydrophobicContact CG-CG2 4.29Å; F58-V132 HydrophobicContact CZ-CG1 4.28Å
59	R	96.9	Very high	85.2	Confident	118 Å²	118	64.9 Å²	64.9	45%	0.445	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	122.5	175.7	-177	174.9	-62.4	177.8	2.9	110.7	T51 L53 G75 R76 L78	T51-R59 HydrophobicContact CG2-CG 3.63Å; L53-R59 HydrophobicContact CD2-CB 4.19Å; R59-G75 CarbonylContact O-C 3.39Å; R59-G75 WeakPolarHBondContact O-CA 3.23Å; R59-R76 PolarHBondContact N-O 3.37Å; R59-R76 PolarHBondContact O-N 3.1Å; R59-L78 HydrophobicContact CB-CD1 4.26Å; R59-L78 HydrophobicContact CB-CD2 4Å; R59-L78 HydrophobicContact CB-CG 4.16Å
60	V	95.6	Very high	86.7	Confident	17 Å²	17	63.6 Å²	63.6	10%	0.103	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.2	173.6	-176.5	0	0	0	0	109.8	L52 V54 F58 R73 I86	L52-V60 HydrophobicContact CB-CB 4.15Å; L52-V60 HydrophobicContact CB-CG2 4.31Å; L52-V60 HydrophobicContact CD2-CB 4.37Å; L52-V60 HydrophobicContact CD2-CG1 4.41Å; L52-V60 HydrophobicContact CD2-CG2 4.19Å; L52-V60 HydrophobicContact CG-CB 4.41Å; L52-V60 HydrophobicContact CG-CG2 4.1Å; L52-V60 WeakPolarHBondContact O-CB 3.45Å; L52-V60 WeakPolarHBondContact O-CG2 3.31Å; L52-V60 PolarHBondContact O-N 3.04Å; V54-V60 HydrophobicContact CG2-CG2 3.6Å; F58-V60 PolarHBondContact O-N 2.7Å; V60-R73 HydrophobicContact CG1-CB 4.33Å; V60-R73 HydrophobicContact CG1-CG 4.41Å; V60-I86 HydrophobicContact CG2-CD1 4.01Å
61	G	94.3	Very high	88.1	Confident	33 Å²	33	57.4 Å²	57.4	34%	0.34	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-144.5	178.5	0	0	0	0	0	113.6	R73 L74	G61-R73 PolarHBondContact O-NH1 3.03Å; G61-R73 VanDerWaalsContact O-NH1 3.15Å; G61-L74 CarbonylContact C-O 3.6Å; G61-L74 WeakPolarHBondContact CA-O 3.42Å; G61-L74 PolarHBondContact N-O 3.4Å
62	K	94	Very high	89	Confident	77 Å²	77	56.5 Å²	56.5	34%	0.335	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	150.6	-179.2	72	-175.4	-174.5	-168.5	0	111.9	I64 R73 L74 F606	K62-I64 HydrophobicContact CG-CG2 4.18Å; K62-R73 WeakPolarHBondContact O-CA 3.35Å; K62-L74 HydrophobicContact CD-CD2 4.44Å; K62-L74 HydrophobicContact CG-CB 4.1Å; K62-L74 HydrophobicContact CG-CD2 4.37Å; K62-L74 PolarHBondContact O-N 2.82Å; K62-F606 HydrophobicContact CD-CE1 4.41Å
63	K	94.2	Very high	89.2	Confident	100 Å²	100	56.1 Å²	56.1	44%	0.435	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	138.5	166.1	-167.6	166.3	-176.1	151.8	0	110.2	G65 C66 E71	K63-G65 VanDerWaalsContact CE-O 3.29Å; K63-G65 WeakPolarHBondContact CE-O 3.41Å; K63-C66 WeakPolarHBondContact CE-SG 3.44Å; K63-E71 HydrophobicContact CD-CB 4.39Å; K63-E71 WeakPolarHBondContact CD-OE2 3.41Å; K63-E71 VanDerWaalsContact CE-OE2 3.3Å; K63-E71 WeakPolarHBondContact CE-OE2 3.33Å; K63-E71 IonicContact NZ-OE2 3.5Å; K63-E71 PolarHBondContact NZ-OE2 3.21Å
64	I	92	Very high	89.3	Confident	74 Å²	74	53.7 Å²	53.7	38%	0.379	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-19.3	176.3	59.2	176.6	0	0	0	112.6	K62 L72 L74 L135	K62-I64 HydrophobicContact CG-CG2 4.18Å; I64-L72 HydrophobicContact CD1-CD2 4.14Å; I64-L72 HydrophobicContact CD1-CG 4.13Å; I64-L72 HydrophobicContact CG1-CB 4.33Å; I64-L72 HydrophobicContact CG1-CD2 4.12Å; I64-L72 HydrophobicContact CG1-CG 3.94Å; I64-L72 WeakPolarHBondContact CG1-O 3.22Å; I64-L72 PolarHBondContact N-O 3.21Å; I64-L74 HydrophobicContact CD1-CB 4.43Å; I64-L74 HydrophobicContact CG2-CB 3.8Å; I64-L135 HydrophobicContact CD1-CD1 4.21Å
65	G	84.4	Confident	89.4	Confident	21 Å²	21	53.8 Å²	53.8	22%	0.216	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	170.7	175.1	0	0	0	0	0	114.2	K63 L72	K63-G65 VanDerWaalsContact CE-O 3.29Å; K63-G65 WeakPolarHBondContact CE-O 3.41Å; G65-L72 PolarHBondContact N-O 3.44Å; G65-L72 PolarHBondContact O-N 3.28Å
66	C	79.9	Confident	89.6	Confident	102 Å²	102	56.8 Å²	56.8	69%	0.689	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.7	165.7	-59.4	0	0	0	0	107.5	K63	K63-C66 WeakPolarHBondContact CE-SG 3.44Å
67	G	69.3	Low	89.8	Confident	43 Å²	43	53.4 Å²	53.4	44%	0.443	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	172.7	163.6	0	0	0	0	0	109.7	F69 G70	G67-F69 PolarHBondContact O-N 3.47Å; G67-F69 VanDerWaalsContact O-N 3.1Å; G67-G70 PolarHBondContact N-O 3.45Å; G67-G70 PolarHBondContact O-N 2.94Å
68	N	69.3	Low	89.8	Confident	151 Å²	151	56.2 Å²	56.2	81%	0.807	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.5	179.9	-63.9	-4.3	0	0	0	112.8
69	F	70.5	Confident	89.8	Confident	47 Å²	47	64 Å²	64	21%	0.206	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	3.6	-172.2	-43.1	-63.2	0	0	0	113.4	G67 Q97 L205	G67-F69 PolarHBondContact O-N 3.47Å; G67-F69 VanDerWaalsContact O-N 3.1Å; F69-Q97 HydrophobicContact CD1-CG 4.47Å; F69-Q97 VanDerWaalsContact CD2-OE1 3.29Å; F69-Q97 VanDerWaalsContact CE1-NE2 3.29Å; F69-L205 HydrophobicContact CZ-CD2 4.11Å; F69-L205 HydrophobicContact CZ-CG 4.43Å
70	G	81.4	Confident	89.7	Confident	28 Å²	28	62.5 Å²	62.5	29%	0.289	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.1	-143.7	178.2	0	0	0	0	0	114.5	G67 L88	G67-G70 PolarHBondContact N-O 3.45Å; G67-G70 PolarHBondContact O-N 2.94Å; G70-L88 WeakPolarHBondContact CA-O 3.35Å
71	E	91.1	Very high	89.7	Confident	33 Å²	33	66.6 Å²	66.6	15%	0.154	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.8	-175	64.2	174.1	-160.8	0	0	114.6	K63 R73 L88	K63-E71 HydrophobicContact CD-CB 4.39Å; K63-E71 WeakPolarHBondContact CD-OE2 3.41Å; K63-E71 VanDerWaalsContact CE-OE2 3.3Å; K63-E71 WeakPolarHBondContact CE-OE2 3.33Å; K63-E71 IonicContact NZ-OE2 3.5Å; K63-E71 PolarHBondContact NZ-OE2 3.21Å; E71-R73 IonicContact OE1-CZ 2.72Å; E71-R73 IonicContact OE1-NE 2.69Å; E71-R73 PolarHBondContact OE1-NE 3.06Å; E71-R73 IonicContact OE1-NH2 3.31Å; E71-R73 PolarHBondContact OE1-NH2 3.26Å; E71-R73 IonicContact OE2-NH2 3.43Å; E71-L88 HydrophobicContact CG-CB 4.07Å; E71-L88 HydrophobicContact CG-CD1 4.28Å; E71-L88 PolarHBondContact N-O 3.36Å; E71-L88 PolarHBondContact O-N 2.98Å
72	L	94.7	Very high	89.7	Confident	52 Å²	52	67.8 Å²	67.8	27%	0.272	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.4	176.3	-168.1	71.1	0	0	0	109.2	I64 G65 A85 K87	I64-L72 HydrophobicContact CD1-CD2 4.14Å; I64-L72 HydrophobicContact CD1-CG 4.13Å; I64-L72 HydrophobicContact CG1-CB 4.33Å; I64-L72 HydrophobicContact CG1-CD2 4.12Å; I64-L72 HydrophobicContact CG1-CG 3.94Å; I64-L72 WeakPolarHBondContact CG1-O 3.22Å; I64-L72 PolarHBondContact N-O 3.21Å; G65-L72 PolarHBondContact N-O 3.44Å; G65-L72 PolarHBondContact O-N 3.28Å; L72-A85 HydrophobicContact CD1-CB 4.35Å; L72-K87 HydrophobicContact CD1-CB 3.95Å; L72-K87 HydrophobicContact CD1-CG 4.39Å
73	R	95.9	Very high	89.9	Confident	72 Å²	72	68.6 Å²	68.6	27%	0.272	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.1	179.5	-64.4	-169.3	173.2	-127.6	4	111.8	V60 G61 K62 E71 I86 L88	V60-R73 HydrophobicContact CG1-CB 4.33Å; V60-R73 HydrophobicContact CG1-CG 4.41Å; G61-R73 PolarHBondContact O-NH1 3.03Å; G61-R73 VanDerWaalsContact O-NH1 3.15Å; K62-R73 WeakPolarHBondContact O-CA 3.35Å; E71-R73 IonicContact OE1-CZ 2.72Å; E71-R73 IonicContact OE1-NE 2.69Å; E71-R73 PolarHBondContact OE1-NE 3.06Å; E71-R73 IonicContact OE1-NH2 3.31Å; E71-R73 PolarHBondContact OE1-NH2 3.26Å; E71-R73 IonicContact OE2-NH2 3.43Å; R73-I86 PolarHBondContact N-O 2.83Å; R73-I86 PolarHBondContact O-N 3.2Å; R73-L88 HydrophobicContact CG-CD1 4.35Å
74	L	96.6	Very high	90.1	Very high	28 Å²	28	64 Å²	64	15%	0.147	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.4	162.6	179.8	64.3	0	0	0	107.8	G61 K62 I64 Y83 L135	G61-L74 CarbonylContact C-O 3.6Å; G61-L74 WeakPolarHBondContact CA-O 3.42Å; G61-L74 PolarHBondContact N-O 3.4Å; K62-L74 HydrophobicContact CD-CD2 4.44Å; K62-L74 HydrophobicContact CG-CB 4.1Å; K62-L74 HydrophobicContact CG-CD2 4.37Å; K62-L74 PolarHBondContact O-N 2.82Å; I64-L74 HydrophobicContact CD1-CB 4.43Å; I64-L74 HydrophobicContact CG2-CB 3.8Å; L74-Y83 HydrophobicContact CD1-CD1 3.7Å; L74-Y83 HydrophobicContact CD1-CG 4.14Å; L74-Y83 HydrophobicContact CD2-CD1 4.02Å; L74-Y83 HydrophobicContact CD2-CE1 4.04Å; L74-Y83 HydrophobicContact CG-CD1 3.93Å; L74-Y83 HydrophobicContact CG-CE1 4.37Å; L74-L135 HydrophobicContact CD1-CD1 4.43Å; L74-L135 HydrophobicContact CD1-CD2 3.57Å
75	G	97	Very high	90.3	Very high	2 Å²	2	60.8 Å²	60.8	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	170.9	169.6	0	0	0	0	0	112.3	R59 Y83 V84	R59-G75 CarbonylContact O-C 3.39Å; R59-G75 WeakPolarHBondContact O-CA 3.23Å; G75-Y83 WeakPolarHBondContact O-CA 3.48Å; G75-V84 PolarHBondContact N-O 3.01Å; G75-V84 PolarHBondContact O-N 3.28Å
76	R	97.7	Very high	90.9	Very high	86 Å²	86	59.8 Å²	59.8	33%	0.325	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.2	172.1	-163.1	178.7	-170.7	165.6	-0.2	110.9	R59 L78 N81 E82 Y83	R59-R76 PolarHBondContact N-O 3.37Å; R59-R76 PolarHBondContact O-N 3.1Å; R76-L78 PolarHBondContact O-N 3.5Å; R76-N81 WeakPolarHBondContact CG-O 3.47Å; R76-N81 PolarHBondContact NE-O 2.82Å; R76-N81 PolarHBondContact NE-OD1 3.48Å; R76-N81 PolarHBondContact NH2-OD1 2.97Å; R76-E82 CarbonylContact C-O 3.48Å; R76-E82 VanDerWaalsContact CA-O 3.26Å; R76-E82 WeakPolarHBondContact CA-O 3.18Å; R76-E82 WeakPolarHBondContact CG-O 3.28Å; R76-Y83 HydrophobicContact CB-CD1 4.34Å; R76-Y83 HydrophobicContact CB-CE1 4.49Å; R76-Y83 HydrophobicContact CG-CD1 4.32Å; R76-Y83 HydrophobicContact CG-CE1 4.36Å
77	N	97.5	Very high	91.7	Very high	19 Å²	19	56.5 Å²	56.5	10%	0.102	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	119.3	169.3	-176.2	-23.4	0	0	0	108.5	N57 F58 Y79 T80 N81 E82	N57-N77 VanDerWaalsContact ND2-CG 3.29Å; N57-N77 PolarHBondContact ND2-ND2 2.81Å; N57-N77 PolarHBondContact ND2-OD1 3.38Å; F58-N77 HydrophobicContact CD1-CB 3.88Å; F58-N77 HydrophobicContact CE1-CB 3.75Å; N77-Y79 VanDerWaalsContact C-N 3.35Å; N77-Y79 PolarHBondContact OD1-N 2.68Å; N77-T80 WeakPolarHBondContact CB-OG1 3.41Å; N77-T80 PolarHBondContact ND2-OG1 3.49Å; N77-T80 VanDerWaalsContact ND2-OG1 3.15Å; N77-T80 PolarHBondContact OD1-N 2.83Å; N77-N81 CarbonylContact O-C 3.57Å; N77-N81 WeakPolarHBondContact O-CA 3.42Å; N77-N81 PolarHBondContact O-N 3.41Å; N77-E82 PolarHBondContact N-O 3.19Å; N77-E82 PolarHBondContact O-N 3.1Å
78	L	96.6	Very high	92.9	Very high	70 Å²	70	54.6 Å²	54.6	37%	0.366	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-16	-177	-62.9	179.8	0	0	0	113.7	L53 N57 R59 R76	L53-L78 HydrophobicContact CD2-CD1 3.92Å; N57-L78 WeakPolarHBondContact O-CB 3.07Å; N57-L78 WeakPolarHBondContact O-CG 3Å; N57-L78 PolarHBondContact O-N 3.28Å; R59-L78 HydrophobicContact CB-CD1 4.26Å; R59-L78 HydrophobicContact CB-CD2 4Å; R59-L78 HydrophobicContact CB-CG 4.16Å; R76-L78 PolarHBondContact O-N 3.5Å
79	Y	96.5	Very high	94.2	Very high	171 Å²	171	47.6 Å²	47.6	67%	0.671	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-43.9	176.3	-58.3	-25.2	0	0	0	112.1	N57 N77	N57-Y79 HydrophobicContact CB-CD1 4.08Å; N57-Y79 HydrophobicContact CB-CD2 3.67Å; N57-Y79 HydrophobicContact CB-CE1 3.9Å; N57-Y79 HydrophobicContact CB-CE2 3.49Å; N57-Y79 VanDerWaalsContact CB-CE2 3.49Å; N57-Y79 HydrophobicContact CB-CG 3.97Å; N77-Y79 VanDerWaalsContact C-N 3.35Å; N77-Y79 PolarHBondContact OD1-N 2.68Å
80	T	95.6	Very high	95.3	Very high	87 Å²	87	47.9 Å²	47.9	53%	0.534	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.2	-179.8	63.7	0	0	0	0	113.6	N77 E82	N77-T80 WeakPolarHBondContact CB-OG1 3.41Å; N77-T80 PolarHBondContact ND2-OG1 3.49Å; N77-T80 VanDerWaalsContact ND2-OG1 3.15Å; N77-T80 PolarHBondContact OD1-N 2.83Å; T80-E82 PolarHBondContact O-N 2.88Å
81	N	95	Very high	95.9	Very high	103 Å²	103	50.8 Å²	50.8	55%	0.551	24%	0.242	S	C	*	.			trans	64	-2.9	-175.3	-154.5	19.5	0	0	0	115.7	R76 N77	R76-N81 WeakPolarHBondContact CG-O 3.47Å; R76-N81 PolarHBondContact NE-O 2.82Å; R76-N81 PolarHBondContact NE-OD1 3.48Å; R76-N81 PolarHBondContact NH2-OD1 2.97Å; N77-N81 CarbonylContact O-C 3.57Å; N77-N81 WeakPolarHBondContact O-CA 3.42Å; N77-N81 PolarHBondContact O-N 3.41Å
82	E	95.6	Very high	95.9	Very high	58 Å²	58	59 Å²	59	27%	0.271	28%	0.278	S	S	.	.			trans	-76.6	155.6	-170.1	-91.2	-63.5	170.4	0	0	115.5	R76 N77 T80 R189 Y192	R76-E82 CarbonylContact C-O 3.48Å; R76-E82 VanDerWaalsContact CA-O 3.26Å; R76-E82 WeakPolarHBondContact CA-O 3.18Å; R76-E82 WeakPolarHBondContact CG-O 3.28Å; N77-E82 PolarHBondContact N-O 3.19Å; N77-E82 PolarHBondContact O-N 3.1Å; T80-E82 PolarHBondContact O-N 2.88Å; E82-R189 IonicContact OE2-CZ 2.73Å; E82-R189 IonicContact OE2-NH1 3.69Å; E82-R189 PolarHBondContact OE2-NH1 2.81Å; E82-R189 IonicContact OE2-NH2 3.79Å; E82-Y192 PolarHBondContact OE1-OH 2.82Å; E82-Y192 PolarHBondContact OE2-OH 3.34Å
83	Y	97	Very high	95.7	Very high	93 Å²	93	58.7 Å²	58.7	37%	0.365	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.6	175.2	-72.4	-69.8	0	0	0	112.4	L74 G75 R76 L135	L74-Y83 HydrophobicContact CD1-CD1 3.7Å; L74-Y83 HydrophobicContact CD1-CG 4.14Å; L74-Y83 HydrophobicContact CD2-CD1 4.02Å; L74-Y83 HydrophobicContact CD2-CE1 4.04Å; L74-Y83 HydrophobicContact CG-CD1 3.93Å; L74-Y83 HydrophobicContact CG-CE1 4.37Å; G75-Y83 WeakPolarHBondContact O-CA 3.48Å; R76-Y83 HydrophobicContact CB-CD1 4.34Å; R76-Y83 HydrophobicContact CB-CE1 4.49Å; R76-Y83 HydrophobicContact CG-CD1 4.32Å; R76-Y83 HydrophobicContact CG-CE1 4.36Å; Y83-L135 WeakPolarHBondContact O-CB 3.43Å
84	V	97.9	Very high	95.3	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	159.2	-177.7	-62.5	0	0	0	0	110.8	F58 G75 I86 Y120 V132 M133	F58-V84 HydrophobicContact CD1-CG1 4.34Å; F58-V84 HydrophobicContact CD1-CG2 4Å; F58-V84 HydrophobicContact CE1-CG1 4.25Å; G75-V84 PolarHBondContact N-O 3.01Å; G75-V84 PolarHBondContact O-N 3.28Å; V84-I86 HydrophobicContact CG2-CD1 4.46Å; V84-I86 HydrophobicContact CG2-CG1 4.17Å; V84-Y120 HydrophobicContact CG1-CD2 3.93Å; V84-Y120 HydrophobicContact CG1-CE2 3.75Å; V84-V132 HydrophobicContact CB-CG1 4Å; V84-V132 HydrophobicContact CG1-CG1 4.46Å; V84-V132 HydrophobicContact CG2-CG1 3.72Å; V84-M133 WeakPolarHBondContact CB-O 3.24Å
85	A	97.6	Very high	94.8	Very high	8 Å²	8	62.2 Å²	62.2	7%	0.066	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.6	166.6	0	0	0	0	0	109.7	L72 V132 M133 L135	L72-A85 HydrophobicContact CD1-CB 4.35Å; A85-V132 WeakPolarHBondContact O-CA 3.28Å; A85-M133 HydrophobicContact CB-CG 3.9Å; A85-M133 PolarHBondContact N-O 2.9Å; A85-M133 PolarHBondContact O-N 3.43Å; A85-L135 HydrophobicContact CB-CD1 4.24Å
86	I	97.1	Very high	94.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	110	176	-55.7	-176.5	0	0	0	108.4	V54 F58 V60 R73 V84 L88 A130 L131 V132	V54-I86 HydrophobicContact CG2-CD1 4.31Å; V54-I86 HydrophobicContact CG2-CG2 4.14Å; F58-I86 HydrophobicContact CB-CD1 4.36Å; V60-I86 HydrophobicContact CG2-CD1 4.01Å; R73-I86 PolarHBondContact N-O 2.83Å; R73-I86 PolarHBondContact O-N 3.2Å; V84-I86 HydrophobicContact CG2-CD1 4.46Å; V84-I86 HydrophobicContact CG2-CG1 4.17Å; I86-L88 HydrophobicContact CG2-CD2 3.62Å; I86-L88 HydrophobicContact CG2-CG 4.09Å; I86-A130 HydrophobicContact CG2-CB 4.35Å; I86-L131 WeakPolarHBondContact CA-O 3.32Å; I86-V132 HydrophobicContact CG1-CG1 4.21Å; I86-V132 HydrophobicContact CG1-CG2 4.22Å; I86-V132 HydrophobicContact CG2-CG2 4.49Å
87	K	96	Very high	94.2	Very high	32 Å²	32	64 Å²	64	14%	0.139	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.9	173.9	-165.6	178.1	-172.3	-170.6	0	108.2	L72 L98 E101 A130 L131 D202	L72-K87 HydrophobicContact CD1-CB 3.95Å; L72-K87 HydrophobicContact CD1-CG 4.39Å; K87-L98 HydrophobicContact CB-CD1 4.08Å; K87-L98 HydrophobicContact CD-CD1 3.65Å; K87-L98 HydrophobicContact CG-CD1 3.83Å; K87-E101 WeakPolarHBondContact CE-OE2 3.18Å; K87-E101 IonicContact NZ-OE1 2.68Å; K87-E101 PolarHBondContact NZ-OE1 3.07Å; K87-E101 IonicContact NZ-OE2 3.27Å; K87-E101 PolarHBondContact NZ-OE2 2.91Å; K87-A130 WeakPolarHBondContact O-CA 3.49Å; K87-L131 HydrophobicContact CB-CB 4.4Å; K87-L131 PolarHBondContact N-O 3.07Å; K87-L131 PolarHBondContact O-N 3.08Å; K87-D202 IonicContact NZ-OD1 2.64Å; K87-D202 PolarHBondContact NZ-OD1 3.45Å
88	L	95.3	Very high	94.1	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.5	-175.4	-62.2	-178.3	0	0	0	110.8	G70 E71 R73 I86 V125 H128 N129 A130	G70-L88 WeakPolarHBondContact CA-O 3.35Å; E71-L88 HydrophobicContact CG-CB 4.07Å; E71-L88 HydrophobicContact CG-CD1 4.28Å; E71-L88 PolarHBondContact N-O 3.36Å; E71-L88 PolarHBondContact O-N 2.98Å; R73-L88 HydrophobicContact CG-CD1 4.35Å; I86-L88 HydrophobicContact CG2-CD2 3.62Å; I86-L88 HydrophobicContact CG2-CG 4.09Å; L88-V125 HydrophobicContact CD2-CG1 3.6Å; L88-H128 HydrophobicContact CB-CB 4.35Å; L88-H128 HydrophobicContact CD2-CB 4.47Å; L88-N129 WeakPolarHBondContact CA-O 3.44Å; L88-A130 HydrophobicContact CD2-CB 3.55Å
89	E	95	Very high	94	Very high	3 Å²	3	65.4 Å²	65.4	1%	0.014	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.5	177.8	172.4	-168.7	77.2	0	0	109.4	M91 T93 P96 Q97 L98 H128 N129	E89-M91 PolarHBondContact O-N 3.29Å; E89-T93 HydrophobicContact CG-CG2 3.89Å; E89-P96 WeakPolarHBondContact OE2-CA 3.48Å; E89-Q97 PolarHBondContact OE2-N 3.2Å; E89-L98 HydrophobicContact CB-CB 3.88Å; E89-L98 HydrophobicContact CB-CD2 3.71Å; E89-L98 HydrophobicContact CB-CG 4.37Å; E89-L98 VanDerWaalsContact CD-CB 3.5Å; E89-L98 HydrophobicContact CG-CB 4.33Å; E89-L98 WeakPolarHBondContact OE2-CB 3.38Å; E89-L98 PolarHBondContact OE2-N 3.47Å; E89-H128 CarbonylContact O-C 3.43Å; E89-H128 WeakPolarHBondContact O-CA 3.42Å; E89-H128 WeakPolarHBondContact O-CB 3.32Å; E89-N129 HydrophobicContact CB-CB 4.41Å; E89-N129 PolarHBondContact N-O 2.76Å; E89-N129 PolarHBondContact O-N 3.38Å; E89-N129 PolarHBondContact OE1-ND2 2.91Å
90	P	94.3	Very high	93.9	Very high	54 Å²	54	60.6 Å²	60.6	35%	0.351	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	129.1	176.8	-21.9	33.6	0	0	0	112	K92 T93	P90-K92 PolarHBondContact O-N 3.01Å; P90-T93 WeakPolarHBondContact O-CB 3.37Å; P90-T93 WeakPolarHBondContact O-CG2 3.35Å; P90-T93 PolarHBondContact O-N 3.18Å
91	M	93.1	Very high	93.9	Very high	88 Å²	88	56.6 Å²	56.6	43%	0.433	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-17.8	-178.4	-73.8	168.2	161.3	0	0	114.5	E89 P124 R127	E89-M91 PolarHBondContact O-N 3.29Å; M91-P124 HydrophobicContact CE-CB 3.39Å; M91-R127 WeakPolarHBondContact CB-O 3.21Å; M91-R127 WeakPolarHBondContact CG-O 3.14Å; M91-R127 PolarHBondContact N-O 2.83Å; M91-R127 VanDerWaalsContact SD-C 3.6Å
92	K	92	Very high	94	Very high	205 Å²	205	54.8 Å²	54.8	89%	0.891	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	24.5	178.2	-60.8	-166.5	175.5	-166.1	0	113.2	P90	P90-K92 PolarHBondContact O-N 3.01Å
93	T	90.4	Very high	94.1	Very high	47 Å²	47	57.6 Å²	57.6	29%	0.288	28%	0.278	S	S	.	.			trans	-61.2	144.7	173.8	179.3	0	0	0	0	111.7	E89 P90 A95 P96	E89-T93 HydrophobicContact CG-CG2 3.89Å; P90-T93 WeakPolarHBondContact O-CB 3.37Å; P90-T93 WeakPolarHBondContact O-CG2 3.35Å; P90-T93 PolarHBondContact O-N 3.18Å; T93-A95 PolarHBondContact O-N 3.39Å; T93-A95 PolarHBondContact OG1-N 3.04Å; T93-A95 PolarHBondContact OG1-O 3.4Å; T93-P96 HydrophobicContact CG2-CB 3.82Å
94	R	88.5	Confident	94.1	Very high	126 Å²	126	53.3 Å²	53.3	48%	0.475	26%	0.262	S	S	.	.	S	Bend	trans	-71.2	-15	175.3	-67.9	-175.4	179.5	169.2	5.2	113.4	I555 D557	R94-I555 HydrophobicContact CB-CD1 4.18Å; R94-D557 IonicContact CZ-OD1 2.71Å; R94-D557 VanDerWaalsContact CZ-OD1 3.23Å; R94-D557 IonicContact CZ-OD2 2.76Å; R94-D557 VanDerWaalsContact CZ-OD2 3.26Å; R94-D557 IonicContact NH1-OD1 3.24Å; R94-D557 PolarHBondContact NH1-OD1 3.38Å; R94-D557 IonicContact NH1-OD2 3.54Å; R94-D557 PolarHBondContact NH1-OD2 3.16Å; R94-D557 IonicContact NH2-OD1 2.73Å; R94-D557 PolarHBondContact NH2-OD1 3.32Å; R94-D557 IonicContact NH2-OD2 3.15Å; R94-D557 PolarHBondContact NH2-OD2 3.08Å
95	A	85.7	Confident	94.1	Very high	48 Å²	48	53.2 Å²	53.2	40%	0.397	26%	0.261	S	S	.	.	S	Bend	trans	-147	88.1	-178.8	0	0	0	0	0	109.9	T93	T93-A95 PolarHBondContact O-N 3.39Å; T93-A95 PolarHBondContact OG1-N 3.04Å; T93-A95 PolarHBondContact OG1-O 3.4Å
96	P	89.9	Confident	94.1	Very high	94 Å²	94	59.3 Å²	59.3	61%	0.61	28%	0.282	S	S	*	.			trans	-74.6	137.3	177.6	29.7	-33.6	0	0	0	111.4	E89 T93	E89-P96 WeakPolarHBondContact OE2-CA 3.48Å; T93-P96 HydrophobicContact CG2-CB 3.82Å
97	Q	91.6	Very high	94	Very high	30 Å²	30	61.8 Å²	61.8	14%	0.14	30%	0.295	C	S	.	.			trans	-134.4	-26.2	-179.9	-65	-172.7	-0.7	0	0	113	F69 E89 H99 L100 E101 G204	F69-Q97 HydrophobicContact CD1-CG 4.47Å; F69-Q97 VanDerWaalsContact CD2-OE1 3.29Å; F69-Q97 VanDerWaalsContact CE1-NE2 3.29Å; E89-Q97 PolarHBondContact OE2-N 3.2Å; Q97-H99 VanDerWaalsContact C-N 3.26Å; Q97-H99 PolarHBondContact O-N 2.75Å; Q97-L100 WeakPolarHBondContact O-CA 3.48Å; Q97-L100 WeakPolarHBondContact O-CB 3.29Å; Q97-L100 PolarHBondContact O-N 3.02Å; Q97-E101 PolarHBondContact O-N 3.49Å; Q97-G204 VanDerWaalsContact CD-O 3.24Å; Q97-G204 VanDerWaalsContact OE1-C 3.24Å; Q97-G204 PolarHBondContact OE1-O 3Å; Q97-G204 VanDerWaalsContact OE1-O 3.08Å
98	L	94.7	Very high	94.1	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-31.1	-169.4	-164.7	66.8	0	0	0	113.4	K87 E89 E101 Y102 F122 N129 L131	K87-L98 HydrophobicContact CB-CD1 4.08Å; K87-L98 HydrophobicContact CD-CD1 3.65Å; K87-L98 HydrophobicContact CG-CD1 3.83Å; E89-L98 HydrophobicContact CB-CB 3.88Å; E89-L98 HydrophobicContact CB-CD2 3.71Å; E89-L98 HydrophobicContact CB-CG 4.37Å; E89-L98 VanDerWaalsContact CD-CB 3.5Å; E89-L98 HydrophobicContact CG-CB 4.33Å; E89-L98 WeakPolarHBondContact OE2-CB 3.38Å; E89-L98 PolarHBondContact OE2-N 3.47Å; L98-E101 WeakPolarHBondContact CD1-OE2 3.49Å; L98-Y102 WeakPolarHBondContact O-CB 3.3Å; L98-Y102 PolarHBondContact O-N 3.19Å; L98-F122 HydrophobicContact CB-CE2 4.32Å; L98-F122 HydrophobicContact CD2-CE2 4.23Å; L98-F122 HydrophobicContact CG-CD2 4.49Å; L98-F122 HydrophobicContact CG-CE2 3.99Å; L98-N129 HydrophobicContact CD2-CB 3.93Å; L98-N129 WeakPolarHBondContact CD2-O 3.24Å; L98-L131 HydrophobicContact CD1-CB 3.7Å; L98-L131 HydrophobicContact CD1-CD2 4.04Å; L98-L131 HydrophobicContact CD2-CB 4.16Å; L98-L131 HydrophobicContact CG-CB 3.95Å
99	H	94.9	Very high	94.2	Very high	115 Å²	115	62 Å²	62	53%	0.532	30%	0.298	S	S	.	.	H	α-helix	trans	-72.6	-35.6	173.8	-173.9	64.9	0	0	0	113	Q97 Y102 R103 F122	Q97-H99 VanDerWaalsContact C-N 3.26Å; Q97-H99 PolarHBondContact O-N 2.75Å; H99-Y102 WeakPolarHBondContact O-CB 3.48Å; H99-Y102 PolarHBondContact O-N 3.28Å; H99-R103 PolarHBondContact O-N 3.32Å; H99-F122 HydrophobicContact CB-CE1 4.3Å; H99-F122 HydrophobicContact CB-CE2 4.35Å; H99-F122 HydrophobicContact CB-CZ 3.72Å; H99-F122 AromaticContact ND1-CD1 3.99Å; H99-F122 AromaticContact ND1-CE1 3.27Å; H99-F122 VanDerWaalsContact ND1-CE1 3.27Å; H99-F122 WeakPolarHBondContact ND1-CE1 3.36Å; H99-F122 AromaticContact ND1-CZ 3.63Å
100	L	94.1	Very high	94.2	Very high	71 Å²	71	65.7 Å²	65.7	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-71.7	-41.9	176.6	-177.1	63.3	0	0	0	110.8	Q97 Y102 R103 F104	Q97-L100 WeakPolarHBondContact O-CA 3.48Å; Q97-L100 WeakPolarHBondContact O-CB 3.29Å; Q97-L100 PolarHBondContact O-N 3.02Å; L100-Y102 VanDerWaalsContact C-N 3.31Å; L100-Y102 PolarHBondContact O-N 3.18Å; L100-R103 WeakPolarHBondContact O-CB 3.38Å; L100-R103 PolarHBondContact O-N 3.15Å; L100-R103 VanDerWaalsContact O-N 3.17Å; L100-F104 HydrophobicContact CD1-CE1 3.98Å; L100-F104 HydrophobicContact CD1-CE2 3.9Å; L100-F104 HydrophobicContact CD1-CZ 3.57Å; L100-F104 HydrophobicContact CD2-CE2 3.9Å; L100-F104 HydrophobicContact CD2-CZ 4.11Å; L100-F104 HydrophobicContact CG-CD2 4.11Å; L100-F104 HydrophobicContact CG-CE1 4.5Å; L100-F104 HydrophobicContact CG-CE2 3.51Å; L100-F104 HydrophobicContact CG-CZ 3.74Å; L100-F104 WeakPolarHBondContact O-CD2 3.46Å; L100-F104 WeakPolarHBondContact O-CG 3.41Å; L100-F104 PolarHBondContact O-N 2.89Å
101	E	96.4	Very high	94.1	Very high	2 Å²	2	65 Å²	65	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-57.3	-42.7	169.8	175.7	174.9	-154.9	0	0	111.6	K87 Q97 L98 F104 Y105 L131 D202 F203	K87-E101 WeakPolarHBondContact CE-OE2 3.18Å; K87-E101 IonicContact NZ-OE1 2.68Å; K87-E101 PolarHBondContact NZ-OE1 3.07Å; K87-E101 IonicContact NZ-OE2 3.27Å; K87-E101 PolarHBondContact NZ-OE2 2.91Å; Q97-E101 PolarHBondContact O-N 3.49Å; L98-E101 WeakPolarHBondContact CD1-OE2 3.49Å; E101-F104 PolarHBondContact O-N 3.04Å; E101-Y105 HydrophobicContact CG-CD2 3.78Å; E101-Y105 HydrophobicContact CG-CE2 3.52Å; E101-Y105 VanDerWaalsContact O-CD2 3.23Å; E101-Y105 WeakPolarHBondContact O-CD2 3.47Å; E101-Y105 PolarHBondContact O-N 2.94Å; E101-L131 HydrophobicContact CG-CD2 4.06Å; E101-D202 WeakPolarHBondContact OE1-CA 3.44Å; E101-F203 HydrophobicContact CG-CB 4.18Å; E101-F203 PolarHBondContact OE1-N 3.21Å
102	Y	97.1	Very high	94.1	Very high	65 Å²	65	64.2 Å²	64.2	26%	0.255	34%	0.341	S	S	.	.	H	α-helix	trans	-59.3	-47.3	172.1	172.4	-107.2	0	0	0	112.5	L98 H99 L100 F104 Y105 R106 V119 F122 L131	L98-Y102 WeakPolarHBondContact O-CB 3.3Å; L98-Y102 PolarHBondContact O-N 3.19Å; H99-Y102 WeakPolarHBondContact O-CB 3.48Å; H99-Y102 PolarHBondContact O-N 3.28Å; L100-Y102 VanDerWaalsContact C-N 3.31Å; L100-Y102 PolarHBondContact O-N 3.18Å; Y102-F104 VanDerWaalsContact C-N 3.34Å; Y102-F104 PolarHBondContact O-N 3.32Å; Y102-Y105 PolarHBondContact O-N 3.43Å; Y102-R106 HydrophobicContact CD2-CG 4.37Å; Y102-R106 HydrophobicContact CE1-CG 4.09Å; Y102-R106 HydrophobicContact CE2-CG 3.88Å; Y102-R106 WeakPolarHBondContact O-CG 3.41Å; Y102-R106 PolarHBondContact O-N 3.49Å; Y102-V119 HydrophobicContact CD2-CG1 3.89Å; Y102-V119 HydrophobicContact CE2-CG1 3.87Å; Y102-F122 HydrophobicContact CD1-CB 4.1Å; Y102-F122 HydrophobicContact CD1-CD1 4.11Å; Y102-F122 HydrophobicContact CD1-CG 4.06Å; Y102-F122 HydrophobicContact CD2-CB 3.42Å; Y102-F122 VanDerWaalsContact CD2-CB 3.42Å; Y102-F122 HydrophobicContact CD2-CG 4.06Å; Y102-F122 HydrophobicContact CE1-CB 4.29Å; Y102-F122 HydrophobicContact CE2-CB 3.65Å; Y102-F122 HydrophobicContact CG-CB 3.67Å; Y102-F122 HydrophobicContact CG-CD1 4.29Å; Y102-F122 HydrophobicContact CG-CD2 4.17Å; Y102-F122 AromaticContact CG-CG 3.77Å; Y102-F122 HydrophobicContact CG-CG 3.77Å; Y102-L131 HydrophobicContact CD2-CD1 3.84Å; Y102-L131 HydrophobicContact CG-CD1 4.5Å
103	R	96.9	Very high	94.3	Very high	117 Å²	117	57 Å²	57	44%	0.442	31%	0.314	S	S	.	.	H	α-helix	trans	-55.4	-47.5	173.9	164.9	175.6	164.3	158.9	-6.3	111.3	H99 L100 R106 I107 E208	H99-R103 PolarHBondContact O-N 3.32Å; L100-R103 WeakPolarHBondContact O-CB 3.38Å; L100-R103 PolarHBondContact O-N 3.15Å; L100-R103 VanDerWaalsContact O-N 3.17Å; R103-R106 PolarHBondContact O-N 2.72Å; R103-I107 HydrophobicContact CG-CD1 4.01Å; R103-I107 WeakPolarHBondContact O-CG1 3.04Å; R103-I107 PolarHBondContact O-N 3.43Å; R103-E208 IonicContact CZ-OE1 3.63Å; R103-E208 IonicContact NE-OE1 3.48Å; R103-E208 PolarHBondContact NE-OE1 3.19Å; R103-E208 IonicContact NH2-OE1 2.95Å; R103-E208 PolarHBondContact NH2-OE1 2.8Å; R103-E208 IonicContact NH2-OE2 3.29Å; R103-E208 PolarHBondContact NH2-OE2 3.33Å
104	F	97.5	Very high	94.6	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-40.3	179	-63.6	-32.2	0	0	0	112.6	L100 E101 Y102 R106 I107 L108 L175 F203 A206 E208	L100-F104 HydrophobicContact CD1-CE1 3.98Å; L100-F104 HydrophobicContact CD1-CE2 3.9Å; L100-F104 HydrophobicContact CD1-CZ 3.57Å; L100-F104 HydrophobicContact CD2-CE2 3.9Å; L100-F104 HydrophobicContact CD2-CZ 4.11Å; L100-F104 HydrophobicContact CG-CD2 4.11Å; L100-F104 HydrophobicContact CG-CE1 4.5Å; L100-F104 HydrophobicContact CG-CE2 3.51Å; L100-F104 HydrophobicContact CG-CZ 3.74Å; L100-F104 WeakPolarHBondContact O-CD2 3.46Å; L100-F104 WeakPolarHBondContact O-CG 3.41Å; L100-F104 PolarHBondContact O-N 2.89Å; E101-F104 PolarHBondContact O-N 3.04Å; Y102-F104 VanDerWaalsContact C-N 3.34Å; Y102-F104 PolarHBondContact O-N 3.32Å; F104-R106 VanDerWaalsContact C-N 3.33Å; F104-R106 PolarHBondContact O-N 2.94Å; F104-I107 HydrophobicContact CD1-CD1 4.38Å; F104-I107 PolarHBondContact O-N 2.69Å; F104-L108 WeakPolarHBondContact O-CB 3.43Å; F104-L108 WeakPolarHBondContact O-CD1 3.48Å; F104-L108 VanDerWaalsContact O-CG 3.26Å; F104-L108 WeakPolarHBondContact O-CG 3.39Å; F104-L108 PolarHBondContact O-N 3.41Å; F104-L175 HydrophobicContact CB-CD1 3.89Å; F104-L175 HydrophobicContact CD1-CD1 3.72Å; F104-L175 HydrophobicContact CD1-CD2 3.51Å; F104-L175 HydrophobicContact CD1-CG 4.28Å; F104-L175 HydrophobicContact CE1-CD1 4.43Å; F104-L175 HydrophobicContact CE1-CD2 3.39Å; F104-L175 HydrophobicContact CG-CD1 3.87Å; F104-L175 HydrophobicContact CG-CD2 4.31Å; F104-L175 HydrophobicContact CZ-CD2 4.06Å; F104-F203 HydrophobicContact CB-CB 4.23Å; F104-F203 HydrophobicContact CD2-CB 4.31Å; F104-A206 HydrophobicContact CD2-CB 3.75Å; F104-A206 HydrophobicContact CE2-CB 3.76Å; F104-E208 HydrophobicContact CE1-CG 4.07Å
105	Y	98	Very high	95	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-38.4	171.8	-81.5	-59.5	0	0	0	113	E101 Y102 I107 L108 L109 P117 V119 L131 M133 I201 D202 F203	E101-Y105 HydrophobicContact CG-CD2 3.78Å; E101-Y105 HydrophobicContact CG-CE2 3.52Å; E101-Y105 VanDerWaalsContact O-CD2 3.23Å; E101-Y105 WeakPolarHBondContact O-CD2 3.47Å; E101-Y105 PolarHBondContact O-N 2.94Å; Y102-Y105 PolarHBondContact O-N 3.43Å; Y105-I107 VanDerWaalsContact C-N 3.34Å; Y105-I107 PolarHBondContact O-N 3.45Å; Y105-L108 PolarHBondContact O-N 2.74Å; Y105-L109 WeakPolarHBondContact O-CB 3.46Å; Y105-L109 VanDerWaalsContact O-CG 3.26Å; Y105-L109 WeakPolarHBondContact O-CG 3.27Å; Y105-L109 PolarHBondContact O-N 3.45Å; Y105-P117 HydrophobicContact CE1-CG 3.73Å; Y105-V119 HydrophobicContact CD1-CG2 4.31Å; Y105-V119 HydrophobicContact CD2-CG2 3.98Å; Y105-V119 HydrophobicContact CG-CG2 3.74Å; Y105-L131 HydrophobicContact CD2-CD2 4.11Å; Y105-L131 HydrophobicContact CE2-CD2 4.12Å; Y105-M133 HydrophobicContact CD2-CE 4.35Å; Y105-M133 HydrophobicContact CE1-CE 4.34Å; Y105-M133 HydrophobicContact CE2-CE 3.5Å; Y105-M133 WeakPolarHBondContact OH-CE 3.4Å; Y105-I201 WeakPolarHBondContact OH-CA 3.46Å; Y105-D202 PolarHBondContact OH-N 2.93Å; Y105-F203 HydrophobicContact CD1-CD2 4.43Å; Y105-F203 AromaticContact CE1-CD2 3.74Å; Y105-F203 HydrophobicContact CE1-CD2 3.74Å; Y105-F203 AromaticContact CE1-CE2 3.91Å; Y105-F203 HydrophobicContact CE1-CE2 3.91Å; Y105-F203 HydrophobicContact CE2-CD2 4.28Å; Y105-F203 AromaticContact CZ-CD2 3.67Å
106	R	97.1	Very high	95.6	Very high	136 Å²	136	50.7 Å²	50.7	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-38.6	174.6	-68.5	-63.5	-61.3	178.6	-2	112.2	Y102 R103 F104 S110	Y102-R106 HydrophobicContact CD2-CG 4.37Å; Y102-R106 HydrophobicContact CE1-CG 4.09Å; Y102-R106 HydrophobicContact CE2-CG 3.88Å; Y102-R106 WeakPolarHBondContact O-CG 3.41Å; Y102-R106 PolarHBondContact O-N 3.49Å; R103-R106 PolarHBondContact O-N 2.72Å; F104-R106 VanDerWaalsContact C-N 3.33Å; F104-R106 PolarHBondContact O-N 2.94Å; R106-S110 PolarHBondContact O-N 3.34Å
107	I	96.4	Very high	96	Very high	52 Å²	52	46.2 Å²	46.2	27%	0.267	26%	0.255	S	S	.	.	H	α-helix	trans	-67.4	-44.5	174.9	-67.3	166.5	0	0	0	111.1	R103 F104 Y105 S110 K173	R103-I107 HydrophobicContact CG-CD1 4.01Å; R103-I107 WeakPolarHBondContact O-CG1 3.04Å; R103-I107 PolarHBondContact O-N 3.43Å; F104-I107 HydrophobicContact CD1-CD1 4.38Å; F104-I107 PolarHBondContact O-N 2.69Å; Y105-I107 VanDerWaalsContact C-N 3.34Å; Y105-I107 PolarHBondContact O-N 3.45Å; I107-S110 WeakPolarHBondContact O-CB 3.41Å; I107-S110 PolarHBondContact O-N 2.52Å; I107-S110 PolarHBondContact O-OG 2.81Å; I107-K173 HydrophobicContact CG2-CB 4.02Å; I107-K173 HydrophobicContact CG2-CD 4.09Å; I107-K173 HydrophobicContact CG2-CG 4.4Å
108	L	97.7	Very high	96.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-71	-41.5	-177.5	-68	162.6	0	0	0	112.6	F104 Y105 S110 F116 Y169 V170 K173 L175 F203	F104-L108 WeakPolarHBondContact O-CB 3.43Å; F104-L108 WeakPolarHBondContact O-CD1 3.48Å; F104-L108 VanDerWaalsContact O-CG 3.26Å; F104-L108 WeakPolarHBondContact O-CG 3.39Å; F104-L108 PolarHBondContact O-N 3.41Å; Y105-L108 PolarHBondContact O-N 2.74Å; L108-S110 PolarHBondContact O-N 2.9Å; L108-F116 HydrophobicContact CB-CD1 4.04Å; L108-F116 HydrophobicContact CB-CE1 4.35Å; L108-F116 HydrophobicContact CB-CG 4.4Å; L108-F116 HydrophobicContact CD1-CD1 3.98Å; L108-F116 HydrophobicContact CD1-CE1 4Å; L108-F116 HydrophobicContact CD2-CD1 4.41Å; L108-F116 HydrophobicContact CD2-CE1 3.87Å; L108-F116 HydrophobicContact CD2-CZ 4.27Å; L108-F116 HydrophobicContact CG-CD1 4.37Å; L108-F116 HydrophobicContact CG-CE1 4.3Å; L108-Y169 HydrophobicContact CD2-CD1 4.12Å; L108-Y169 HydrophobicContact CD2-CE1 4.2Å; L108-Y169 WeakPolarHBondContact O-CE1 3.43Å; L108-Y169 PolarHBondContact O-OH 2.84Å; L108-V170 HydrophobicContact CD2-CB 4.45Å; L108-V170 HydrophobicContact CD2-CG2 3.95Å; L108-K173 HydrophobicContact CD2-CB 4.16Å; L108-K173 HydrophobicContact CD2-CG 4.2Å; L108-L175 HydrophobicContact CD1-CD1 4.36Å; L108-L175 HydrophobicContact CD2-CD1 4.42Å; L108-L175 HydrophobicContact CG-CD1 4.3Å; L108-F203 HydrophobicContact CD1-CD1 3.8Å; L108-F203 HydrophobicContact CD1-CD2 4.31Å; L108-F203 HydrophobicContact CD1-CE1 3.44Å; L108-F203 VanDerWaalsContact CD1-CE1 3.44Å; L108-F203 HydrophobicContact CD1-CE2 3.98Å; L108-F203 HydrophobicContact CD1-CG 4.24Å; L108-F203 HydrophobicContact CD1-CZ 3.55Å
109	L	97.5	Very high	96.4	Very high	42 Å²	42	50.1 Å²	50.1	22%	0.22	28%	0.275	C	S	.	.	H	α-helix	trans	-69.1	-16.4	178.6	-67.8	170.2	0	0	0	113.1	Y105 G111 G112 F116 M118 V119	Y105-L109 WeakPolarHBondContact O-CB 3.46Å; Y105-L109 VanDerWaalsContact O-CG 3.26Å; Y105-L109 WeakPolarHBondContact O-CG 3.27Å; Y105-L109 PolarHBondContact O-N 3.45Å; L109-G111 PolarHBondContact O-N 3.08Å; L109-G111 VanDerWaalsContact O-N 3.13Å; L109-G112 PolarHBondContact O-N 3.44Å; L109-G112 VanDerWaalsContact O-N 3.15Å; L109-F116 HydrophobicContact CD2-CB 4.1Å; L109-M118 HydrophobicContact CD2-SD 4.14Å; L109-V119 HydrophobicContact CD1-CB 4.2Å; L109-V119 HydrophobicContact CD1-CG2 4.33Å
110	S	94.7	Very high	96.5	Very high	79 Å²	79	49.6 Å²	49.6	55%	0.552	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.6	-177.1	67.9	0	0	0	0	115.3	R106 I107 L108 K173	R106-S110 PolarHBondContact O-N 3.34Å; I107-S110 WeakPolarHBondContact O-CB 3.41Å; I107-S110 PolarHBondContact O-N 2.52Å; I107-S110 PolarHBondContact O-OG 2.81Å; L108-S110 PolarHBondContact O-N 2.9Å; S110-K173 PolarHBondContact OG-NZ 2.75Å
111	G	92.9	Very high	96.6	Very high	41 Å²	41	49.5 Å²	49.5	42%	0.423	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	11.9	179.4	0	0	0	0	0	115.1	L109 V113 Y169	L109-G111 PolarHBondContact O-N 3.08Å; L109-G111 VanDerWaalsContact O-N 3.13Å; G111-V113 PolarHBondContact O-N 3.05Å; G111-Y169 VanDerWaalsContact CA-OH 3.24Å; G111-Y169 WeakPolarHBondContact CA-OH 3.46Å; G111-Y169 PolarHBondContact N-OH 2.91Å
112	G	92.8	Very high	96.6	Very high	71 Å²	71	51.6 Å²	51.6	73%	0.732	27%	0.274	S	S	*	.			trans	64.7	12.8	172.4	0	0	0	0	0	116.6	L109	L109-G112 PolarHBondContact O-N 3.44Å; L109-G112 VanDerWaalsContact O-N 3.15Å
113	V	95.6	Very high	96.6	Very high	53 Å²	53	48.9 Å²	48.9	32%	0.321	27%	0.265	S	S	.	.			trans	-74.9	135.1	-175.5	173.1	0	0	0	0	111.6	G111 F116 Y169	G111-V113 PolarHBondContact O-N 3.05Å; V113-F116 HydrophobicContact CG1-CE2 4.3Å; V113-Y169 HydrophobicContact CB-CD1 4.43Å; V113-Y169 HydrophobicContact CB-CD2 4.13Å; V113-Y169 HydrophobicContact CB-CE1 4.17Å; V113-Y169 HydrophobicContact CB-CE2 3.87Å; V113-Y169 HydrophobicContact CB-CG 4.39Å; V113-Y169 HydrophobicContact CG1-CD2 4.21Å; V113-Y169 HydrophobicContact CG1-CE2 4.45Å; V113-Y169 HydrophobicContact CG1-CG 4.24Å; V113-Y169 HydrophobicContact CG2-CD2 3.77Å; V113-Y169 HydrophobicContact CG2-CE1 4.49Å; V113-Y169 HydrophobicContact CG2-CE2 3.32Å
114	V	96.2	Very high	96.5	Very high	83 Å²	83	47.2 Å²	47.2	50%	0.503	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	149.5	178.9	-61.2	0	0	0	0	112.4	R166	V114-R166 VanDerWaalsContact O-CZ 3.29Å; V114-R166 PolarHBondContact O-NH1 2.99Å
115	G	97.7	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	8.3	-179	0	0	0	0	0	115	Y199 I200	G115-Y199 VanDerWaalsContact CA-CD1 3.43Å; G115-Y199 CarbonylContact O-C 3.41Å; G115-Y199 WeakPolarHBondContact O-CA 3.33Å; G115-I200 PolarHBondContact O-N 3.26Å
116	F	98.2	Very high	95.9	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.022	31%	0.305	C	S	.	.	S	Bend	trans	-118	130.4	168	-57.9	-89.8	0	0	0	107.8	L108 L109 V113 Y169 V170 I200 F203	L108-F116 HydrophobicContact CB-CD1 4.04Å; L108-F116 HydrophobicContact CB-CE1 4.35Å; L108-F116 HydrophobicContact CB-CG 4.4Å; L108-F116 HydrophobicContact CD1-CD1 3.98Å; L108-F116 HydrophobicContact CD1-CE1 4Å; L108-F116 HydrophobicContact CD2-CD1 4.41Å; L108-F116 HydrophobicContact CD2-CE1 3.87Å; L108-F116 HydrophobicContact CD2-CZ 4.27Å; L108-F116 HydrophobicContact CG-CD1 4.37Å; L108-F116 HydrophobicContact CG-CE1 4.3Å; L109-F116 HydrophobicContact CD2-CB 4.1Å; V113-F116 HydrophobicContact CG1-CE2 4.3Å; F116-Y169 HydrophobicContact CD2-CD1 4.31Å; F116-Y169 HydrophobicContact CE1-CD1 4.49Å; F116-Y169 AromaticContact CE2-CD1 3.41Å; F116-Y169 HydrophobicContact CE2-CD1 3.41Å; F116-Y169 VanDerWaalsContact CE2-CD1 3.41Å; F116-Y169 HydrophobicContact CE2-CE1 4.01Å; F116-Y169 HydrophobicContact CE2-CG 4.16Å; F116-Y169 AromaticContact CZ-CD1 3.54Å; F116-Y169 HydrophobicContact CZ-CD1 3.54Å; F116-Y169 HydrophobicContact CZ-CE1 4.36Å; F116-Y169 HydrophobicContact CZ-CG 4.34Å; F116-V170 HydrophobicContact CE1-CG2 3.81Å; F116-V170 HydrophobicContact CZ-CG2 4.03Å; F116-I200 HydrophobicContact CD1-CG2 3.59Å; F116-I200 HydrophobicContact CE1-CG2 3.29Å; F116-I200 HydrophobicContact CG-CG2 4.47Å; F116-I200 HydrophobicContact CZ-CG2 3.96Å; F116-F203 HydrophobicContact CD1-CE2 4.38Å; F116-F203 HydrophobicContact CD1-CZ 4.16Å; F116-F203 AromaticContact CE1-CZ 3.92Å; F116-F203 HydrophobicContact CE1-CZ 3.92Å
117	P	97.4	Very high	95.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-66.4	140.8	178.6	27.5	-35.7	0	0	0	110.9	Y105 V119 M133 E134 L136 I200 I201	Y105-P117 HydrophobicContact CE1-CG 3.73Å; P117-V119 PolarHBondContact O-N 3.24Å; P117-M133 HydrophobicContact CG-CE 3.91Å; P117-E134 HydrophobicContact CB-CB 3.97Å; P117-L136 HydrophobicContact CB-CD1 4.26Å; P117-I200 WeakPolarHBondContact CD-O 3.5Å; P117-I201 HydrophobicContact CG-CG2 4.22Å
118	M	97.1	Very high	95.6	Very high	96 Å²	96	54.7 Å²	54.7	47%	0.473	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-62.7	136.3	173.2	-64.2	-63.8	-76.1	0	0	110.4	L109 Y120 M133 E134	L109-M118 HydrophobicContact CD2-SD 4.14Å; M118-Y120 HydrophobicContact CB-CD1 4.49Å; M118-Y120 HydrophobicContact CB-CE1 3.79Å; M118-M133 CarbonylContact O-C 3.54Å; M118-M133 WeakPolarHBondContact O-CA 3.49Å; M118-M133 WeakPolarHBondContact O-CB 3.49Å; M118-E134 HydrophobicContact CB-CB 4.37Å; M118-E134 PolarHBondContact O-N 3.39Å
119	V	97.2	Very high	95.5	Very high	19 Å²	19	56.5 Å²	56.5	12%	0.115	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.9	170.6	170.8	0	0	0	0	109.1	Y102 Y105 L109 P117 L131 M133	Y102-V119 HydrophobicContact CD2-CG1 3.89Å; Y102-V119 HydrophobicContact CE2-CG1 3.87Å; Y105-V119 HydrophobicContact CD1-CG2 4.31Å; Y105-V119 HydrophobicContact CD2-CG2 3.98Å; Y105-V119 HydrophobicContact CG-CG2 3.74Å; L109-V119 HydrophobicContact CD1-CB 4.2Å; L109-V119 HydrophobicContact CD1-CG2 4.33Å; P117-V119 PolarHBondContact O-N 3.24Å; V119-L131 HydrophobicContact CG1-CD1 3.6Å; V119-L131 HydrophobicContact CG2-CD1 4.21Å; V119-M133 HydrophobicContact CG2-CB 4.28Å
120	Y	97	Very high	95.5	Very high	104 Å²	104	54.5 Å²	54.5	41%	0.408	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-32.1	-175.1	-52.6	-60.5	0	0	0	113.4	F58 V84 M118 V132 M133 E134	F58-Y120 HydrophobicContact CZ-CG 4.4Å; V84-Y120 HydrophobicContact CG1-CD2 3.93Å; V84-Y120 HydrophobicContact CG1-CE2 3.75Å; M118-Y120 HydrophobicContact CB-CD1 4.49Å; M118-Y120 HydrophobicContact CB-CE1 3.79Å; Y120-V132 HydrophobicContact CD2-CG1 4.31Å; Y120-V132 PolarHBondContact N-O 3.43Å; Y120-M133 VanDerWaalsContact CE2-C 3.48Å; Y120-E134 HydrophobicContact CE2-CB 4.47Å
121	Y	97.4	Very high	95.6	Very high	69 Å²	69	50.8 Å²	50.8	27%	0.271	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	145.9	-178.4	-179	-93.6	0	0	0	111.3	V54 V132	V54-Y121 HydrophobicContact CG1-CD1 3.46Å; V54-Y121 VanDerWaalsContact CG1-CD1 3.46Å; V54-Y121 HydrophobicContact CG1-CE1 3.58Å; Y121-V132 HydrophobicContact CD1-CG2 4.2Å; Y121-V132 PolarHBondContact N-O 3.24Å; Y121-V132 PolarHBondContact O-N 3.22Å
122	F	97.1	Very high	95.8	Very high	47 Å²	47	48.8 Å²	48.8	21%	0.206	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.4	162.6	172.9	-91.8	0	0	0	109.1	L98 H99 Y102 N129 A130 L131	L98-F122 HydrophobicContact CB-CE2 4.32Å; L98-F122 HydrophobicContact CD2-CE2 4.23Å; L98-F122 HydrophobicContact CG-CD2 4.49Å; L98-F122 HydrophobicContact CG-CE2 3.99Å; H99-F122 HydrophobicContact CB-CE1 4.3Å; H99-F122 HydrophobicContact CB-CE2 4.35Å; H99-F122 HydrophobicContact CB-CZ 3.72Å; H99-F122 AromaticContact ND1-CD1 3.99Å; H99-F122 AromaticContact ND1-CE1 3.27Å; H99-F122 VanDerWaalsContact ND1-CE1 3.27Å; H99-F122 WeakPolarHBondContact ND1-CE1 3.36Å; H99-F122 AromaticContact ND1-CZ 3.63Å; Y102-F122 HydrophobicContact CD1-CB 4.1Å; Y102-F122 HydrophobicContact CD1-CD1 4.11Å; Y102-F122 HydrophobicContact CD1-CG 4.06Å; Y102-F122 HydrophobicContact CD2-CB 3.42Å; Y102-F122 VanDerWaalsContact CD2-CB 3.42Å; Y102-F122 HydrophobicContact CD2-CG 4.06Å; Y102-F122 HydrophobicContact CE1-CB 4.29Å; Y102-F122 HydrophobicContact CE2-CB 3.65Å; Y102-F122 HydrophobicContact CG-CB 3.67Å; Y102-F122 HydrophobicContact CG-CD1 4.29Å; Y102-F122 HydrophobicContact CG-CD2 4.17Å; Y102-F122 AromaticContact CG-CG 3.77Å; Y102-F122 HydrophobicContact CG-CG 3.77Å; F122-N129 HydrophobicContact CE2-CB 4.36Å; F122-N129 HydrophobicContact CZ-CB 4.38Å; F122-A130 VanDerWaalsContact CA-O 3.3Å; F122-A130 WeakPolarHBondContact CA-O 3.43Å; F122-A130 WeakPolarHBondContact CD2-O 3.23Å; F122-L131 HydrophobicContact CB-CD1 4.26Å; F122-L131 HydrophobicContact CD2-CB 4.36Å; F122-L131 HydrophobicContact CD2-CD1 4.34Å
123	G	96	Very high	96.1	Very high	7 Å²	7	46 Å²	46	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-175.6	-179.4	0	0	0	0	0	114.3	A130	G123-A130 PolarHBondContact N-O 3.27Å; G123-A130 PolarHBondContact O-N 2.86Å
124	P	94.5	Very high	96.1	Very high	82 Å²	82	44.1 Å²	44.1	53%	0.532	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	148.3	-173.9	31.8	-36.1	0	0	0	113.4	M91	M91-P124 HydrophobicContact CE-CB 3.39Å
125	V	93.1	Very high	96.2	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	107	166.9	65.3	0	0	0	0	111.5	L52 L53 V54 L88 R127 H128 A130	L52-V125 HydrophobicContact CD1-CG2 3.6Å; L52-V125 HydrophobicContact CD2-CG2 3.9Å; L52-V125 HydrophobicContact CG-CG2 3.6Å; L53-V125 VanDerWaalsContact O-CG2 3.26Å; L53-V125 WeakPolarHBondContact O-CG2 3.1Å; V54-V125 HydrophobicContact CG2-CB 3.86Å; V54-V125 HydrophobicContact CG2-CG1 3.93Å; V54-V125 HydrophobicContact CG2-CG2 3.84Å; L88-V125 HydrophobicContact CD2-CG1 3.6Å; V125-R127 PolarHBondContact O-N 3.5Å; V125-H128 HydrophobicContact CG1-CB 4.1Å; V125-H128 PolarHBondContact N-O 2.81Å; V125-H128 PolarHBondContact O-N 3.21Å; V125-A130 HydrophobicContact CB-CB 4.48Å; V125-A130 HydrophobicContact CG1-CB 3.71Å
126	G	90.1	Very high	96.1	Very high	72 Å²	72	42.7 Å²	42.7	74%	0.742	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	-96.5	-178.1	0	0	0	0	0	112.9
127	R	92.7	Very high	96	Very high	213 Å²	213	43.4 Å²	43.4	80%	0.804	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.9	14	177.8	-62.4	-175.5	179.2	-178.4	0.3	113.4	M91 V125	M91-R127 WeakPolarHBondContact CB-O 3.21Å; M91-R127 WeakPolarHBondContact CG-O 3.14Å; M91-R127 PolarHBondContact N-O 2.83Å; M91-R127 VanDerWaalsContact SD-C 3.6Å; V125-R127 PolarHBondContact O-N 3.5Å
128	H	94.5	Very high	95.9	Very high	59 Å²	59	44.3 Å²	44.3	27%	0.273	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.1	-176.4	-55.1	91.4	0	0	0	111.4	L88 E89 V125	L88-H128 HydrophobicContact CB-CB 4.35Å; L88-H128 HydrophobicContact CD2-CB 4.47Å; E89-H128 CarbonylContact O-C 3.43Å; E89-H128 WeakPolarHBondContact O-CA 3.42Å; E89-H128 WeakPolarHBondContact O-CB 3.32Å; V125-H128 HydrophobicContact CG1-CB 4.1Å; V125-H128 PolarHBondContact N-O 2.81Å; V125-H128 PolarHBondContact O-N 3.21Å
129	N	95.6	Very high	95.9	Very high	38 Å²	38	40.2 Å²	40.2	20%	0.203	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	144.6	154.2	-61.1	-33	0	0	0	108	L88 E89 L98 F122	L88-N129 WeakPolarHBondContact CA-O 3.44Å; E89-N129 HydrophobicContact CB-CB 4.41Å; E89-N129 PolarHBondContact N-O 2.76Å; E89-N129 PolarHBondContact O-N 3.38Å; E89-N129 PolarHBondContact OE1-ND2 2.91Å; L98-N129 HydrophobicContact CD2-CB 3.93Å; L98-N129 WeakPolarHBondContact CD2-O 3.24Å; F122-N129 HydrophobicContact CE2-CB 4.36Å; F122-N129 HydrophobicContact CZ-CB 4.38Å
130	A	97	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.2	177.9	0	0	0	0	0	111.5	V54 I86 K87 L88 F122 G123 V125	V54-A130 HydrophobicContact CB-CB 4.5Å; V54-A130 HydrophobicContact CG1-CB 3.66Å; V54-A130 HydrophobicContact CG2-CB 3.92Å; I86-A130 HydrophobicContact CG2-CB 4.35Å; K87-A130 WeakPolarHBondContact O-CA 3.49Å; L88-A130 HydrophobicContact CD2-CB 3.55Å; F122-A130 VanDerWaalsContact CA-O 3.3Å; F122-A130 WeakPolarHBondContact CA-O 3.43Å; F122-A130 WeakPolarHBondContact CD2-O 3.23Å; G123-A130 PolarHBondContact N-O 3.27Å; G123-A130 PolarHBondContact O-N 2.86Å; V125-A130 HydrophobicContact CB-CB 4.48Å; V125-A130 HydrophobicContact CG1-CB 3.71Å
131	L	97.4	Very high	96.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.2	167.9	179.6	63.5	0	0	0	108	I86 K87 L98 E101 Y102 Y105 V119 F122 M133	I86-L131 WeakPolarHBondContact CA-O 3.32Å; K87-L131 HydrophobicContact CB-CB 4.4Å; K87-L131 PolarHBondContact N-O 3.07Å; K87-L131 PolarHBondContact O-N 3.08Å; L98-L131 HydrophobicContact CD1-CB 3.7Å; L98-L131 HydrophobicContact CD1-CD2 4.04Å; L98-L131 HydrophobicContact CD2-CB 4.16Å; L98-L131 HydrophobicContact CG-CB 3.95Å; E101-L131 HydrophobicContact CG-CD2 4.06Å; Y102-L131 HydrophobicContact CD2-CD1 3.84Å; Y102-L131 HydrophobicContact CG-CD1 4.5Å; Y105-L131 HydrophobicContact CD2-CD2 4.11Å; Y105-L131 HydrophobicContact CE2-CD2 4.12Å; V119-L131 HydrophobicContact CG1-CD1 3.6Å; V119-L131 HydrophobicContact CG2-CD1 4.21Å; F122-L131 HydrophobicContact CB-CD1 4.26Å; F122-L131 HydrophobicContact CD2-CB 4.36Å; F122-L131 HydrophobicContact CD2-CD1 4.34Å; L131-M133 HydrophobicContact CD2-CE 4.28Å; L131-M133 HydrophobicContact CD2-SD 4.17Å; L131-M133 HydrophobicContact CG-SD 4.3Å
132	V	97.8	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.1	178.4	-170.7	0	0	0	0	109.1	V54 F58 V84 A85 I86 Y120 Y121	V54-V132 HydrophobicContact CB-CG2 4.1Å; V54-V132 HydrophobicContact CG1-CG2 3.44Å; V54-V132 VanDerWaalsContact CG1-CG2 3.44Å; F58-V132 HydrophobicContact CB-CG1 4.28Å; F58-V132 HydrophobicContact CB-CG2 4.39Å; F58-V132 HydrophobicContact CD1-CG1 3.68Å; F58-V132 HydrophobicContact CD2-CB 4.42Å; F58-V132 HydrophobicContact CD2-CG1 4.09Å; F58-V132 HydrophobicContact CD2-CG2 4.17Å; F58-V132 HydrophobicContact CE1-CG1 3.95Å; F58-V132 HydrophobicContact CE2-CG1 4.35Å; F58-V132 HydrophobicContact CG-CB 4.5Å; F58-V132 HydrophobicContact CG-CG1 3.75Å; F58-V132 HydrophobicContact CG-CG2 4.29Å; F58-V132 HydrophobicContact CZ-CG1 4.28Å; V84-V132 HydrophobicContact CB-CG1 4Å; V84-V132 HydrophobicContact CG1-CG1 4.46Å; V84-V132 HydrophobicContact CG2-CG1 3.72Å; A85-V132 WeakPolarHBondContact O-CA 3.28Å; I86-V132 HydrophobicContact CG1-CG1 4.21Å; I86-V132 HydrophobicContact CG1-CG2 4.22Å; I86-V132 HydrophobicContact CG2-CG2 4.49Å; Y120-V132 HydrophobicContact CD2-CG1 4.31Å; Y120-V132 PolarHBondContact N-O 3.43Å; Y121-V132 HydrophobicContact CD1-CG2 4.2Å; Y121-V132 PolarHBondContact N-O 3.24Å; Y121-V132 PolarHBondContact O-N 3.22Å
133	M	97.5	Very high	96	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.059	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	170.4	-169.9	67	-152.2	-55.2	0	0	112.6	V84 A85 Y105 P117 M118 V119 Y120 L131 L135	V84-M133 WeakPolarHBondContact CB-O 3.24Å; A85-M133 HydrophobicContact CB-CG 3.9Å; A85-M133 PolarHBondContact N-O 2.9Å; A85-M133 PolarHBondContact O-N 3.43Å; Y105-M133 HydrophobicContact CD2-CE 4.35Å; Y105-M133 HydrophobicContact CE1-CE 4.34Å; Y105-M133 HydrophobicContact CE2-CE 3.5Å; Y105-M133 WeakPolarHBondContact OH-CE 3.4Å; P117-M133 HydrophobicContact CG-CE 3.91Å; M118-M133 CarbonylContact O-C 3.54Å; M118-M133 WeakPolarHBondContact O-CA 3.49Å; M118-M133 WeakPolarHBondContact O-CB 3.49Å; V119-M133 HydrophobicContact CG2-CB 4.28Å; Y120-M133 VanDerWaalsContact CE2-C 3.48Å; L131-M133 HydrophobicContact CD2-CE 4.28Å; L131-M133 HydrophobicContact CD2-SD 4.17Å; L131-M133 HydrophobicContact CG-SD 4.3Å; M133-L135 PolarHBondContact O-N 3.05Å
134	E	97.2	Very high	96.1	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.065	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	130	177.6	-174.4	177.4	167.4	0	0	111.3	P117 M118 Y120 L136 R194	P117-E134 HydrophobicContact CB-CB 3.97Å; M118-E134 HydrophobicContact CB-CB 4.37Å; M118-E134 PolarHBondContact O-N 3.39Å; Y120-E134 HydrophobicContact CE2-CB 4.47Å; E134-L136 HydrophobicContact CG-CD2 4.23Å; E134-L136 PolarHBondContact O-N 3.36Å; E134-R194 IonicContact OE1-CZ 2.67Å; E134-R194 IonicContact OE1-NH1 3.37Å; E134-R194 PolarHBondContact OE1-NH1 3.01Å; E134-R194 IonicContact OE2-CZ 3.04Å; E134-R194 IonicContact OE2-NH1 3.77Å; E134-R194 PolarHBondContact OE2-NH1 3.29Å
135	L	97.3	Very high	96.2	Very high	33 Å²	33	34.8 Å²	34.8	17%	0.173	19%	0.187	C	C	.	.			trans	-77.2	117.4	168.6	-177.1	66.7	0	0	0	109.4	I64 L74 Y83 A85 M133 R189	I64-L135 HydrophobicContact CD1-CD1 4.21Å; L74-L135 HydrophobicContact CD1-CD1 4.43Å; L74-L135 HydrophobicContact CD1-CD2 3.57Å; Y83-L135 WeakPolarHBondContact O-CB 3.43Å; A85-L135 HydrophobicContact CB-CD1 4.24Å; M133-L135 PolarHBondContact O-N 3.05Å; L135-R189 WeakPolarHBondContact O-CD 3.21Å; L135-R189 WeakPolarHBondContact O-CG 3.32Å
136	L	96.8	Very high	96.3	Very high	19 Å²	19	36.4 Å²	36.4	10%	0.099	20%	0.198	C	C	.	.			trans	-91.8	-178.2	177.1	-62.4	175.8	0	0	0	111.8	P117 E134 L186 Y199 I201	P117-L136 HydrophobicContact CB-CD1 4.26Å; E134-L136 HydrophobicContact CG-CD2 4.23Å; E134-L136 PolarHBondContact O-N 3.36Å; L136-L186 HydrophobicContact CB-CB 4.06Å; L136-L186 HydrophobicContact CB-CD2 3.89Å; L136-L186 HydrophobicContact CD1-CB 3.95Å; L136-L186 HydrophobicContact CD1-CD2 4.22Å; L136-Y199 HydrophobicContact CD1-CG 4.03Å; L136-Y199 HydrophobicContact CD2-CD1 3.97Å; L136-Y199 HydrophobicContact CD2-CD2 3.96Å; L136-Y199 HydrophobicContact CD2-CE1 4.36Å; L136-Y199 HydrophobicContact CD2-CE2 4.34Å; L136-Y199 HydrophobicContact CD2-CG 3.82Å; L136-I201 HydrophobicContact CD1-CG2 3.73Å
137	G	95.8	Very high	96.6	Very high	21 Å²	21	33.6 Å²	33.6	22%	0.216	17%	0.167	C	C	.	.			trans	-86	-161.8	171.6	0	0	0	0	0	113	I187	G137-I187 WeakPolarHBondContact CA-O 3.49Å; G137-I187 PolarHBondContact N-O 3.32Å
138	P	95.7	Very high	96.7	Very high	20 Å²	20	32.2 Å²	32.2	13%	0.13	17%	0.167	C	C	.	.			trans	-63.5	157.7	178.3	26.2	-35.4	0	0	0	113.5	D142 L143 L186 I187 P348	P138-D142 HydrophobicContact CB-CB 3.83Å; P138-L143 HydrophobicContact CB-CD2 4.4Å; P138-L143 HydrophobicContact CB-CG 4.25Å; P138-L143 HydrophobicContact CG-CD1 4.41Å; P138-L143 HydrophobicContact CG-CD2 3.77Å; P138-L143 HydrophobicContact CG-CG 4.02Å; P138-L186 WeakPolarHBondContact O-CA 3.45Å; P138-I187 HydrophobicContact CG-CD1 3.92Å; P138-I187 HydrophobicContact CG-CG1 3.96Å; P138-I187 PolarHBondContact O-N 3.47Å; P138-I187 VanDerWaalsContact O-N 3.09Å; P138-P348 HydrophobicContact CB-CB 4.25Å; P138-P348 HydrophobicContact CB-CG 4.38Å
139	S	97.2	Very high	96.9	Very high	9 Å²	9	33 Å²	33	6%	0.063	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-76.6	165.5	172.9	72.2	0	0	0	0	112.3	E141 D142 L143 F185	S139-E141 PolarHBondContact O-N 3.04Å; S139-E141 PolarHBondContact OG-N 3.41Å; S139-D142 WeakPolarHBondContact CB-OD2 3.35Å; S139-D142 PolarHBondContact N-OD2 3.08Å; S139-D142 PolarHBondContact O-N 3.32Å; S139-D142 VanDerWaalsContact OG-CG 3.29Å; S139-D142 PolarHBondContact OG-N 3.37Å; S139-D142 PolarHBondContact OG-OD2 2.97Å; S139-L143 VanDerWaalsContact O-CG 3.31Å; S139-L143 WeakPolarHBondContact O-CG 3.18Å; S139-L143 PolarHBondContact O-N 2.95Å; S139-F185 CarbonylContact C-O 3.54Å; S139-F185 VanDerWaalsContact CA-O 3.31Å; S139-F185 WeakPolarHBondContact CA-O 3.46Å
140	L	98.5	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-28	172.6	-68.8	-175.8	0	0	0	111.9	L143 F144 I159 L163 P182 F185 I198 F259 W342	L140-L143 HydrophobicContact CD2-CD1 4.21Å; L140-F144 WeakPolarHBondContact O-CB 3.31Å; L140-F144 PolarHBondContact O-N 2.95Å; L140-I159 HydrophobicContact CD1-CG2 3.84Å; L140-I159 HydrophobicContact CD2-CD1 4.34Å; L140-L163 HydrophobicContact CD1-CD1 4.35Å; L140-P182 HydrophobicContact CB-CB 4.14Å; L140-P182 PolarHBondContact N-O 2.84Å; L140-F185 HydrophobicContact CD1-CB 3.68Å; L140-F185 HydrophobicContact CD1-CG 4.45Å; L140-F185 HydrophobicContact CG-CB 3.89Å; L140-F185 PolarHBondContact N-O 3.38Å; L140-I198 HydrophobicContact CD2-CD1 4.43Å; L140-F259 HydrophobicContact CB-CE1 4.25Å; L140-F259 HydrophobicContact CB-CZ 3.74Å; L140-F259 HydrophobicContact CD1-CE2 4.03Å; L140-F259 HydrophobicContact CD1-CZ 3.85Å; L140-F259 HydrophobicContact CG-CZ 4.43Å; L140-W342 HydrophobicContact CD2-CH2 3.83Å; L140-W342 HydrophobicContact CD2-CZ2 4.44Å; L140-W342 HydrophobicContact CD2-CZ3 4.37Å
141	E	97.9	Very high	97	Very high	32 Å²	32	36.6 Å²	36.6	15%	0.15	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-41.3	172.7	-169.9	63.7	-155.1	0	0	111.9	S139 L143 F144 E145 R149 P182 E183 Y258	S139-E141 PolarHBondContact O-N 3.04Å; S139-E141 PolarHBondContact OG-N 3.41Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 3.37Å; E141-F144 WeakPolarHBondContact O-CB 3.4Å; E141-F144 PolarHBondContact O-N 3.38Å; E141-E145 PolarHBondContact O-N 3.46Å; E141-R149 IonicContact OE1-CZ 3.92Å; E141-R149 IonicContact OE1-NH1 2.72Å; E141-R149 PolarHBondContact OE1-NH1 2.64Å; E141-R149 IonicContact OE1-NH2 2.72Å; E141-P182 HydrophobicContact CB-CB 4Å; E141-E183 HydrophobicContact CB-CG 4.11Å; E141-E183 HydrophobicContact CG-CG 4.47Å; E141-Y258 PolarHBondContact OE1-OH 3.38Å; E141-Y258 WeakPolarHBondContact OE2-CE1 3.33Å; E141-Y258 PolarHBondContact OE2-OH 3.15Å
142	D	96.6	Very high	97	Very high	74 Å²	74	39 Å²	39	40%	0.396	20%	0.199	S	C	.	.	H	α-helix	trans	-62.1	-42.2	176.1	-61.6	-64.9	0	0	0	111	P138 S139 S146 P348	P138-D142 HydrophobicContact CB-CB 3.83Å; S139-D142 WeakPolarHBondContact CB-OD2 3.35Å; S139-D142 PolarHBondContact N-OD2 3.08Å; S139-D142 PolarHBondContact O-N 3.32Å; S139-D142 VanDerWaalsContact OG-CG 3.29Å; S139-D142 PolarHBondContact OG-N 3.37Å; S139-D142 PolarHBondContact OG-OD2 2.97Å; D142-S146 WeakPolarHBondContact O-CB 3.16Å; D142-S146 PolarHBondContact O-N 2.78Å; D142-S146 VanDerWaalsContact O-N 3.08Å; D142-P348 HydrophobicContact CB-CB 4.44Å; D142-P348 HydrophobicContact CB-CG 4.33Å
143	L	97.6	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-39.5	175.8	-67.2	167.6	0	0	0	111.4	P138 S139 L140 E141 S146 C147 F151 I187 W342 L347	P138-L143 HydrophobicContact CB-CD2 4.4Å; P138-L143 HydrophobicContact CB-CG 4.25Å; P138-L143 HydrophobicContact CG-CD1 4.41Å; P138-L143 HydrophobicContact CG-CD2 3.77Å; P138-L143 HydrophobicContact CG-CG 4.02Å; S139-L143 VanDerWaalsContact O-CG 3.31Å; S139-L143 WeakPolarHBondContact O-CG 3.18Å; S139-L143 PolarHBondContact O-N 2.95Å; L140-L143 HydrophobicContact CD2-CD1 4.21Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 3.37Å; L143-S146 WeakPolarHBondContact O-CB 3.46Å; L143-S146 PolarHBondContact O-N 2.9Å; L143-S146 PolarHBondContact O-OG 2.83Å; L143-C147 PolarHBondContact O-N 2.99Å; L143-F151 HydrophobicContact CB-CZ 4.13Å; L143-I187 HydrophobicContact CD1-CD1 4.03Å; L143-I187 HydrophobicContact CD1-CG1 4.12Å; L143-I187 HydrophobicContact CD1-CG2 3.75Å; L143-I187 HydrophobicContact CD2-CD1 4.32Å; L143-W342 HydrophobicContact CB-CD2 4.27Å; L143-W342 HydrophobicContact CB-CE3 4.07Å; L143-W342 HydrophobicContact CD1-CD2 3.99Å; L143-W342 HydrophobicContact CD1-CE3 4.34Å; L143-W342 HydrophobicContact CD1-CG 4.43Å; L143-W342 HydrophobicContact CD1-CH2 4.45Å; L143-W342 HydrophobicContact CD1-CZ2 4.11Å; L143-W342 HydrophobicContact CD2-CB 3.92Å; L143-W342 HydrophobicContact CD2-CD2 4.12Å; L143-W342 HydrophobicContact CD2-CG 3.75Å; L143-W342 HydrophobicContact CG-CD2 4.36Å; L143-W342 HydrophobicContact CG-CG 4.48Å; L143-L347 HydrophobicContact CD2-CD2 3.92Å
144	F	97.7	Very high	97	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-45.9	177.6	-175.1	-126.2	0	0	0	112.1	L140 E141 S146 C147 K148 R149 F151 Y258 F259	L140-F144 WeakPolarHBondContact O-CB 3.31Å; L140-F144 PolarHBondContact O-N 2.95Å; E141-F144 WeakPolarHBondContact O-CB 3.4Å; E141-F144 PolarHBondContact O-N 3.38Å; F144-S146 VanDerWaalsContact C-N 3.31Å; F144-S146 PolarHBondContact O-N 3.04Å; F144-C147 CarbonylContact O-C 3.55Å; F144-C147 PolarHBondContact O-N 3.11Å; F144-C147 VanDerWaalsContact O-N 3.15Å; F144-K148 PolarHBondContact O-N 3.06Å; F144-R149 HydrophobicContact CD1-CB 4.37Å; F144-R149 HydrophobicContact CE1-CB 4.05Å; F144-R149 WeakPolarHBondContact CE2-O 3.29Å; F144-R149 VanDerWaalsContact CZ-C 3.46Å; F144-R149 HydrophobicContact CZ-CB 4.27Å; F144-R149 VanDerWaalsContact CZ-O 3.24Å; F144-R149 WeakPolarHBondContact CZ-O 3.47Å; F144-R149 WeakPolarHBondContact O-CA 3.36Å; F144-R149 PolarHBondContact O-N 3.01Å; F144-F151 VanDerWaalsContact CA-CZ 3.46Å; F144-F151 HydrophobicContact CB-CE1 4.23Å; F144-F151 HydrophobicContact CB-CE2 4.11Å; F144-F151 HydrophobicContact CB-CZ 3.73Å; F144-F151 HydrophobicContact CD2-CD1 4.15Å; F144-F151 HydrophobicContact CD2-CD2 4.01Å; F144-F151 HydrophobicContact CD2-CE1 4.15Å; F144-F151 HydrophobicContact CD2-CE2 4Å; F144-F151 HydrophobicContact CD2-CG 4.07Å; F144-F151 HydrophobicContact CD2-CZ 4.07Å; F144-F151 HydrophobicContact CG-CZ 4.42Å; F144-Y258 AromaticContact CD1-CE1 3.83Å; F144-Y258 HydrophobicContact CD1-CE1 3.83Å; F144-Y258 HydrophobicContact CE1-CD1 4.16Å; F144-Y258 AromaticContact CE1-CE1 3.51Å; F144-Y258 HydrophobicContact CE1-CE1 3.51Å; F144-Y258 HydrophobicContact CE1-CE2 4.2Å; F144-Y258 AromaticContact CE1-CZ 3.56Å; F144-Y258 HydrophobicContact CZ-CD1 4.45Å; F144-Y258 HydrophobicContact CZ-CE1 4.23Å; F144-Y258 WeakPolarHBondContact CZ-O 3.29Å; F144-F259 HydrophobicContact CB-CD1 4.49Å; F144-F259 HydrophobicContact CB-CE1 4.42Å; F144-F259 HydrophobicContact CD1-CD1 4.47Å; F144-F259 AromaticContact CD2-CD1 3.79Å; F144-F259 HydrophobicContact CD2-CD1 3.79Å; F144-F259 HydrophobicContact CE2-CB 4.28Å; F144-F259 AromaticContact CE2-CD1 3.94Å; F144-F259 HydrophobicContact CE2-CD1 3.94Å; F144-F259 WeakPolarHBondContact CE2-O 3.41Å; F144-F259 HydrophobicContact CG-CD1 4.06Å; F144-F259 HydrophobicContact CG-CE1 4.38Å; F144-F259 HydrophobicContact CZ-CD1 4.31Å
145	E	96.8	Very high	97.1	Very high	109 Å²	109	41.1 Å²	41.1	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-40	173.6	-165	64.2	-145.4	0	0	110.9	E141 C147 K148 R149	E141-E145 PolarHBondContact O-N 3.46Å; E145-C147 VanDerWaalsContact C-N 3.27Å; E145-C147 PolarHBondContact O-N 2.96Å; E145-K148 PolarHBondContact O-N 3.35Å; E145-R149 WeakPolarHBondContact OE2-CD 3.44Å; E145-R149 WeakPolarHBondContact OE2-CG 3.26Å; E145-R149 IonicContact OE2-CZ 2.76Å; E145-R149 IonicContact OE2-NE 3.41Å; E145-R149 IonicContact OE2-NH1 3.69Å; E145-R149 PolarHBondContact OE2-NH1 2.92Å
146	S	95.4	Very high	97.1	Very high	40 Å²	40	39.6 Å²	39.6	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-62.7	-31.5	174.7	88.2	0	0	0	0	113.4	D142 L143 F144 K148	D142-S146 WeakPolarHBondContact O-CB 3.16Å; D142-S146 PolarHBondContact O-N 2.78Å; D142-S146 VanDerWaalsContact O-N 3.08Å; L143-S146 WeakPolarHBondContact O-CB 3.46Å; L143-S146 PolarHBondContact O-N 2.9Å; L143-S146 PolarHBondContact O-OG 2.83Å; F144-S146 VanDerWaalsContact C-N 3.31Å; F144-S146 PolarHBondContact O-N 3.04Å; S146-K148 PolarHBondContact O-N 3.13Å
147	C	96	Very high	97.2	Very high	12 Å²	12	38.7 Å²	38.7	8%	0.081	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	19.4	172.7	-73.8	0	0	0	0	113.6	L143 F144 E145 R149 F151	L143-C147 PolarHBondContact O-N 2.99Å; F144-C147 CarbonylContact O-C 3.55Å; F144-C147 PolarHBondContact O-N 3.11Å; F144-C147 VanDerWaalsContact O-N 3.15Å; E145-C147 VanDerWaalsContact C-N 3.27Å; E145-C147 PolarHBondContact O-N 2.96Å; C147-R149 VanDerWaalsContact C-N 3.31Å; C147-R149 PolarHBondContact O-N 3.37Å; C147-F151 HydrophobicContact CB-CD1 3.91Å; C147-F151 HydrophobicContact CB-CE1 3.81Å
148	K	95.4	Very high	97.3	Very high	185 Å²	185	37.7 Å²	37.7	80%	0.804	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	31.2	179.8	-49.1	178.5	-179.5	178.1	0	114.1	F144 E145 S146	F144-K148 PolarHBondContact O-N 3.06Å; E145-K148 PolarHBondContact O-N 3.35Å; S146-K148 PolarHBondContact O-N 3.13Å
149	R	96.8	Very high	97.5	Very high	74 Å²	74	36.7 Å²	36.7	28%	0.279	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	35.7	178.4	-51.5	-173	59.8	66.8	14.5	114.6	E141 F144 E145 C147 Y258 G262	E141-R149 IonicContact OE1-CZ 3.92Å; E141-R149 IonicContact OE1-NH1 2.72Å; E141-R149 PolarHBondContact OE1-NH1 2.64Å; E141-R149 IonicContact OE1-NH2 2.72Å; F144-R149 HydrophobicContact CD1-CB 4.37Å; F144-R149 HydrophobicContact CE1-CB 4.05Å; F144-R149 WeakPolarHBondContact CE2-O 3.29Å; F144-R149 VanDerWaalsContact CZ-C 3.46Å; F144-R149 HydrophobicContact CZ-CB 4.27Å; F144-R149 VanDerWaalsContact CZ-O 3.24Å; F144-R149 WeakPolarHBondContact CZ-O 3.47Å; F144-R149 WeakPolarHBondContact O-CA 3.36Å; F144-R149 PolarHBondContact O-N 3.01Å; E145-R149 WeakPolarHBondContact OE2-CD 3.44Å; E145-R149 WeakPolarHBondContact OE2-CG 3.26Å; E145-R149 IonicContact OE2-CZ 2.76Å; E145-R149 IonicContact OE2-NE 3.41Å; E145-R149 IonicContact OE2-NH1 3.69Å; E145-R149 PolarHBondContact OE2-NH1 2.92Å; C147-R149 VanDerWaalsContact C-N 3.31Å; C147-R149 PolarHBondContact O-N 3.37Å; R149-Y258 PolarHBondContact NH2-OH 3.24Å; R149-G262 WeakPolarHBondContact O-CA 3.44Å
150	Q	96.8	Very high	97.5	Very high	110 Å²	110	36.3 Å²	36.3	51%	0.514	18%	0.177	S	C	.	.			trans	-147.2	139.8	163.2	-163.5	169.5	28.9	0	0	109.7	L260	Q150-L260 PolarHBondContact NE2-O 2.93Å
151	F	98.2	Very high	97.5	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.022	18%	0.178	C	C	.	.			trans	-109	148.4	166.5	-69.9	-32	0	0	0	110.9	L143 F144 C147 T155 V156 I159 F259 D341 W342	L143-F151 HydrophobicContact CB-CZ 4.13Å; F144-F151 VanDerWaalsContact CA-CZ 3.46Å; F144-F151 HydrophobicContact CB-CE1 4.23Å; F144-F151 HydrophobicContact CB-CE2 4.11Å; F144-F151 HydrophobicContact CB-CZ 3.73Å; F144-F151 HydrophobicContact CD2-CD1 4.15Å; F144-F151 HydrophobicContact CD2-CD2 4.01Å; F144-F151 HydrophobicContact CD2-CE1 4.15Å; F144-F151 HydrophobicContact CD2-CE2 4Å; F144-F151 HydrophobicContact CD2-CG 4.07Å; F144-F151 HydrophobicContact CD2-CZ 4.07Å; F144-F151 HydrophobicContact CG-CZ 4.42Å; C147-F151 HydrophobicContact CB-CD1 3.91Å; C147-F151 HydrophobicContact CB-CE1 3.81Å; F151-T155 HydrophobicContact CB-CG2 3.76Å; F151-T155 HydrophobicContact CD1-CG2 4.04Å; F151-T155 HydrophobicContact CD2-CG2 4.04Å; F151-T155 HydrophobicContact CG-CG2 3.71Å; F151-V156 HydrophobicContact CB-CG2 3.65Å; F151-V156 HydrophobicContact CD2-CG2 4.48Å; F151-I159 HydrophobicContact CD2-CD1 3.75Å; F151-I159 HydrophobicContact CE2-CD1 3.83Å; F151-F259 HydrophobicContact CB-CB 4.34Å; F151-F259 HydrophobicContact CD2-CB 3.78Å; F151-F259 AromaticContact CD2-CD1 3.72Å; F151-F259 HydrophobicContact CD2-CD1 3.72Å; F151-F259 HydrophobicContact CD2-CD2 4.23Å; F151-F259 HydrophobicContact CD2-CE1 4.33Å; F151-F259 AromaticContact CD2-CG 3.67Å; F151-F259 HydrophobicContact CD2-CG 3.67Å; F151-F259 AromaticContact CE2-CD1 3.7Å; F151-F259 HydrophobicContact CE2-CD1 3.7Å; F151-F259 HydrophobicContact CE2-CD2 4.5Å; F151-F259 AromaticContact CE2-CE1 3.87Å; F151-F259 HydrophobicContact CE2-CE1 3.87Å; F151-F259 HydrophobicContact CE2-CG 4.05Å; F151-F259 HydrophobicContact CE2-CZ 4.35Å; F151-F259 HydrophobicContact CG-CB 4.46Å; F151-F259 PolarHBondContact N-O 3.39Å; F151-D341 WeakPolarHBondContact CA-OD2 3.43Å; F151-W342 HydrophobicContact CD1-CE3 4.41Å; F151-W342 HydrophobicContact CD1-CZ3 4.35Å; F151-W342 HydrophobicContact CD2-CZ3 4.47Å; F151-W342 AromaticContact CE1-CE3 3.67Å; F151-W342 HydrophobicContact CE1-CE3 3.67Å; F151-W342 AromaticContact CE1-CZ3 3.75Å; F151-W342 HydrophobicContact CE1-CZ3 3.75Å; F151-W342 AromaticContact CE2-CZ3 3.91Å; F151-W342 HydrophobicContact CE2-CZ3 3.91Å; F151-W342 AromaticContact CZ-CE3 3.8Å; F151-W342 HydrophobicContact CZ-CE3 3.8Å; F151-W342 AromaticContact CZ-CZ3 3.5Å; F151-W342 HydrophobicContact CZ-CZ3 3.5Å
152	S	97.4	Very high	97.6	Very high	49 Å²	49	35.6 Å²	35.6	34%	0.343	17%	0.174	S	C	.	.			trans	-67	154.7	172.3	74.8	0	0	0	0	111	K154 T155 V156 D341	S152-K154 VanDerWaalsContact C-N 3.26Å; S152-K154 PolarHBondContact O-N 2.96Å; S152-T155 PolarHBondContact O-N 3.03Å; S152-T155 VanDerWaalsContact O-N 3.13Å; S152-T155 WeakPolarHBondContact OG-CB 3.14Å; S152-T155 PolarHBondContact OG-N 3.38Å; S152-T155 PolarHBondContact OG-OG1 2.94Å; S152-V156 PolarHBondContact O-N 3.49Å; S152-D341 VanDerWaalsContact CB-OD1 3.32Å; S152-D341 WeakPolarHBondContact CB-OD1 3.13Å; S152-D341 PolarHBondContact N-OD2 2.99Å; S152-D341 PolarHBondContact OG-OD1 2.86Å; S152-D341 PolarHBondContact OG-OD2 3Å
153	L	97.9	Very high	97.7	Very high	35 Å²	35	32 Å²	32	18%	0.183	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-37.8	178.4	-176.9	59	0	0	0	111.9	V156 L157 L260 Y297 L328 W334	L153-V156 PolarHBondContact O-N 3.05Å; L153-L157 HydrophobicContact CD1-CD1 4.19Å; L153-L157 HydrophobicContact CD1-CD2 4.48Å; L153-L157 HydrophobicContact CD1-CG 4.11Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 HydrophobicContact CG-CG 4.34Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 2.78Å; L153-L260 HydrophobicContact CB-CD2 4.3Å; L153-L260 HydrophobicContact CD1-CD1 4.35Å; L153-L260 HydrophobicContact CD1-CD2 3.84Å; L153-Y297 HydrophobicContact CD1-CD1 4.12Å; L153-Y297 HydrophobicContact CD1-CE1 4.48Å; L153-Y297 HydrophobicContact CD2-CD1 4.49Å; L153-L328 HydrophobicContact CD2-CD2 4.37Å; L153-W334 HydrophobicContact CB-CH2 4.09Å; L153-W334 HydrophobicContact CB-CZ3 4.16Å; L153-W334 HydrophobicContact CD2-CH2 4.23Å; L153-W334 HydrophobicContact CD2-CZ3 4.24Å; L153-W334 HydrophobicContact CG-CH2 4.31Å; L153-W334 HydrophobicContact CG-CZ3 4.05Å
154	K	98.1	Very high	97.7	Very high	37 Å²	37	32 Å²	32	16%	0.161	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-48.8	174.1	-168.6	-161	173.7	-160.1	0	111.4	S152 V156 L157 M158 M329 W334 E335 D337	S152-K154 VanDerWaalsContact C-N 3.26Å; S152-K154 PolarHBondContact O-N 2.96Å; K154-V156 PolarHBondContact O-N 3.39Å; K154-L157 PolarHBondContact O-N 3.33Å; K154-M158 HydrophobicContact CD-CE 4.26Å; K154-M158 HydrophobicContact CG-CE 4.13Å; K154-M158 WeakPolarHBondContact O-CG 3.44Å; K154-M158 PolarHBondContact O-N 2.98Å; K154-M329 HydrophobicContact CG-CE 4.17Å; K154-W334 HydrophobicContact CB-CD2 4.08Å; K154-W334 HydrophobicContact CB-CE3 3.8Å; K154-W334 HydrophobicContact CB-CZ3 4.08Å; K154-W334 HydrophobicContact CD-CG 4.47Å; K154-W334 HydrophobicContact CG-CB 4.29Å; K154-W334 HydrophobicContact CG-CD2 4.13Å; K154-W334 HydrophobicContact CG-CE3 4.06Å; K154-W334 HydrophobicContact CG-CG 4.26Å; K154-E335 VanDerWaalsContact CE-O 3.28Å; K154-E335 WeakPolarHBondContact CE-O 3.46Å; K154-D337 WeakPolarHBondContact CE-OD1 3.39Å; K154-D337 IonicContact NZ-OD1 3.47Å; K154-D337 PolarHBondContact NZ-OD1 2.95Å; K154-D337 IonicContact NZ-OD2 3.29Å; K154-D337 PolarHBondContact NZ-OD2 3.36Å
155	T	98.3	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-45.4	176.9	-77.3	0	0	0	0	111.7	F151 S152 M158 I159 F340 D341 W342	F151-T155 HydrophobicContact CB-CG2 3.76Å; F151-T155 HydrophobicContact CD1-CG2 4.04Å; F151-T155 HydrophobicContact CD2-CG2 4.04Å; F151-T155 HydrophobicContact CG-CG2 3.71Å; S152-T155 PolarHBondContact O-N 3.03Å; S152-T155 VanDerWaalsContact O-N 3.13Å; S152-T155 WeakPolarHBondContact OG-CB 3.14Å; S152-T155 PolarHBondContact OG-N 3.38Å; S152-T155 PolarHBondContact OG-OG1 2.94Å; T155-M158 PolarHBondContact O-N 3.44Å; T155-I159 HydrophobicContact CG2-CD1 3.82Å; T155-I159 VanDerWaalsContact O-CG1 3.26Å; T155-I159 WeakPolarHBondContact O-CG1 3.48Å; T155-I159 PolarHBondContact O-N 3.01Å; T155-F340 HydrophobicContact CG2-CB 4.39Å; T155-F340 HydrophobicContact CG2-CD1 4.1Å; T155-F340 WeakPolarHBondContact OG1-CA 3.42Å; T155-D341 WeakPolarHBondContact CB-OD1 3.49Å; T155-D341 WeakPolarHBondContact CB-OD2 3.5Å; T155-D341 PolarHBondContact OG1-N 2.91Å; T155-D341 PolarHBondContact OG1-OD1 3.09Å; T155-D341 PolarHBondContact OG1-OD2 3.04Å; T155-W342 HydrophobicContact CG2-CE3 4.36Å; T155-W342 HydrophobicContact CG2-CH2 4.28Å; T155-W342 HydrophobicContact CG2-CZ3 3.68Å
156	V	98.7	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.6	-38.6	179.6	178	0	0	0	0	112.6	F151 S152 L153 K154 I159 A160 F256 F259 L260 M300	F151-V156 HydrophobicContact CB-CG2 3.65Å; F151-V156 HydrophobicContact CD2-CG2 4.48Å; S152-V156 PolarHBondContact O-N 3.49Å; L153-V156 PolarHBondContact O-N 3.05Å; K154-V156 PolarHBondContact O-N 3.39Å; V156-I159 PolarHBondContact O-N 3.22Å; V156-A160 WeakPolarHBondContact O-CB 3.44Å; V156-A160 PolarHBondContact O-N 3.39Å; V156-F256 HydrophobicContact CG1-CB 3.82Å; V156-F256 HydrophobicContact CG1-CD1 4.44Å; V156-F256 HydrophobicContact CG1-CG 4.37Å; V156-F259 HydrophobicContact CG2-CB 3.68Å; V156-L260 HydrophobicContact CB-CD2 3.94Å; V156-L260 HydrophobicContact CB-CG 4.26Å; V156-L260 HydrophobicContact CG1-CD1 4.38Å; V156-L260 HydrophobicContact CG1-CD2 4.28Å; V156-L260 HydrophobicContact CG1-CG 4.08Å; V156-L260 HydrophobicContact CG2-CD2 3.75Å; V156-L260 HydrophobicContact CG2-CG 4.02Å; V156-M300 HydrophobicContact CG1-CE 4.01Å
157	L	98.5	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-43.1	175.9	-67	167.6	0	0	0	111.6	L153 K154 A160 I161 M300 F325 L328 M329 W334	L153-L157 HydrophobicContact CD1-CD1 4.19Å; L153-L157 HydrophobicContact CD1-CD2 4.48Å; L153-L157 HydrophobicContact CD1-CG 4.11Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 HydrophobicContact CG-CG 4.34Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 2.78Å; K154-L157 PolarHBondContact O-N 3.33Å; L157-A160 PolarHBondContact O-N 3.05Å; L157-I161 WeakPolarHBondContact O-CD1 3.37Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.46Å; L157-M300 HydrophobicContact CD2-CE 4.06Å; L157-F325 HydrophobicContact CD2-CB 3.81Å; L157-F325 HydrophobicContact CD2-CD1 3.35Å; L157-F325 HydrophobicContact CD2-CE1 4.08Å; L157-F325 HydrophobicContact CD2-CG 3.75Å; L157-L328 HydrophobicContact CD1-CB 4.47Å; L157-L328 HydrophobicContact CD1-CD2 3.58Å; L157-L328 HydrophobicContact CD1-CG 3.83Å; L157-L328 HydrophobicContact CD2-CD2 3.88Å; L157-L328 HydrophobicContact CG-CD2 4.34Å; L157-M329 HydrophobicContact CB-CG 4.02Å; L157-M329 HydrophobicContact CB-SD 3.88Å; L157-M329 HydrophobicContact CD1-CG 3.74Å; L157-W334 HydrophobicContact CD1-CE3 4.46Å; L157-W334 HydrophobicContact CD1-CZ3 4.18Å
158	M	98.4	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-39.6	175.3	-69	-169.5	-58.3	0	0	112.4	K154 T155 Q162 M329 W338 E339 F340	K154-M158 HydrophobicContact CD-CE 4.26Å; K154-M158 HydrophobicContact CG-CE 4.13Å; K154-M158 WeakPolarHBondContact O-CG 3.44Å; K154-M158 PolarHBondContact O-N 2.98Å; T155-M158 PolarHBondContact O-N 3.44Å; M158-Q162 PolarHBondContact O-N 3.29Å; M158-M329 HydrophobicContact CG-CE 3.64Å; M158-M329 HydrophobicContact CG-SD 3.97Å; M158-M329 HydrophobicContact SD-CE 4.07Å; M158-W338 HydrophobicContact CB-CE3 3.96Å; M158-W338 HydrophobicContact CB-CZ3 3.95Å; M158-W338 HydrophobicContact CG-CE3 4.3Å; M158-W338 HydrophobicContact CG-CZ3 4.38Å; M158-W338 WeakPolarHBondContact O-CZ3 3.24Å; M158-W338 HydrophobicContact SD-CE3 4.32Å; M158-W338 PolarHBondContact SD-N 2.93Å; M158-E339 WeakPolarHBondContact CE-O 3.41Å; M158-F340 HydrophobicContact CB-CD1 4.25Å; M158-F340 HydrophobicContact CB-CE1 3.56Å; M158-F340 HydrophobicContact CB-CZ 4.24Å; M158-F340 HydrophobicContact CE-CD1 3.93Å; M158-F340 HydrophobicContact CE-CE1 4.2Å; M158-F340 HydrophobicContact CE-CG 4.4Å
159	I	98.7	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-49.9	170.4	-69.4	163.8	0	0	0	109.9	L140 F151 T155 V156 I161 Q162 L163 I198 F256 F259 F340 W342	L140-I159 HydrophobicContact CD1-CG2 3.84Å; L140-I159 HydrophobicContact CD2-CD1 4.34Å; F151-I159 HydrophobicContact CD2-CD1 3.75Å; F151-I159 HydrophobicContact CE2-CD1 3.83Å; T155-I159 HydrophobicContact CG2-CD1 3.82Å; T155-I159 VanDerWaalsContact O-CG1 3.26Å; T155-I159 WeakPolarHBondContact O-CG1 3.48Å; T155-I159 PolarHBondContact O-N 3.01Å; V156-I159 PolarHBondContact O-N 3.22Å; I159-I161 PolarHBondContact O-N 3.16Å; I159-Q162 PolarHBondContact O-N 3.5Å; I159-L163 HydrophobicContact CG2-CD1 3.72Å; I159-L163 HydrophobicContact CG2-CG 4.09Å; I159-L163 WeakPolarHBondContact O-CG 3.5Å; I159-L163 PolarHBondContact O-N 3.36Å; I159-I198 HydrophobicContact CB-CD1 4.13Å; I159-I198 HydrophobicContact CG1-CD1 3.83Å; I159-I198 HydrophobicContact CG2-CD1 4.13Å; I159-F256 HydrophobicContact CG2-CE1 4.48Å; I159-F259 HydrophobicContact CD1-CD2 4.49Å; I159-F259 HydrophobicContact CD1-CE2 4.5Å; I159-F259 HydrophobicContact CG2-CE2 4.32Å; I159-F340 HydrophobicContact CG1-CD1 4.42Å; I159-F340 HydrophobicContact CG1-CE1 4.09Å; I159-W342 HydrophobicContact CD1-CH2 3.92Å; I159-W342 HydrophobicContact CD1-CZ3 4.06Å; I159-W342 HydrophobicContact CG1-CH2 4.08Å
160	A	98.8	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-42.1	-176.7	0	0	0	0	0	113	V156 L157 Q162 L163 L164 F256 F325	V156-A160 WeakPolarHBondContact O-CB 3.44Å; V156-A160 PolarHBondContact O-N 3.39Å; L157-A160 PolarHBondContact O-N 3.05Å; A160-Q162 VanDerWaalsContact C-N 3.34Å; A160-Q162 PolarHBondContact O-N 2.96Å; A160-L163 PolarHBondContact O-N 2.91Å; A160-L164 WeakPolarHBondContact O-CB 3.11Å; A160-L164 WeakPolarHBondContact O-CG 3.42Å; A160-L164 PolarHBondContact O-N 3.24Å; A160-F256 HydrophobicContact CB-CD1 4.09Å; A160-F256 HydrophobicContact CB-CD2 4.12Å; A160-F256 HydrophobicContact CB-CE1 3.63Å; A160-F256 HydrophobicContact CB-CE2 3.67Å; A160-F256 HydrophobicContact CB-CG 4.33Å; A160-F256 HydrophobicContact CB-CZ 3.4Å; A160-F256 VanDerWaalsContact CB-CZ 3.4Å; A160-F325 HydrophobicContact CB-CD2 3.72Å; A160-F325 HydrophobicContact CB-CE2 3.55Å; A160-F325 HydrophobicContact CB-CZ 4.29Å
161	I	98.4	Very high	98.5	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-61.1	-40.9	176.5	-67.8	160	0	0	0	111.3	L157 I159 F325 T326 M329 W338	L157-I161 WeakPolarHBondContact O-CD1 3.37Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.46Å; I159-I161 PolarHBondContact O-N 3.16Å; I161-F325 HydrophobicContact CD1-CB 4.36Å; I161-F325 HydrophobicContact CG1-CB 4.09Å; I161-T326 HydrophobicContact CD1-CG2 3.64Å; I161-T326 HydrophobicContact CG1-CG2 4.22Å; I161-M329 HydrophobicContact CD1-SD 3.81Å; I161-W338 HydrophobicContact CG2-CH2 4.1Å
162	Q	98.6	Very high	98.5	Very high	13 Å²	13	21 Å²	21	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-70	-46.2	174.9	-67.2	-160.7	34.8	0	0	112.2	M158 I159 A160 L164 R165 R166 R196 I198 W338	M158-Q162 PolarHBondContact O-N 3.29Å; I159-Q162 PolarHBondContact O-N 3.5Å; A160-Q162 VanDerWaalsContact C-N 3.34Å; A160-Q162 PolarHBondContact O-N 2.96Å; Q162-L164 PolarHBondContact O-N 3.48Å; Q162-R165 WeakPolarHBondContact O-CB 3.17Å; Q162-R165 PolarHBondContact O-N 3.45Å; Q162-R165 VanDerWaalsContact O-N 3.14Å; Q162-R166 WeakPolarHBondContact O-CG 3.11Å; Q162-R166 PolarHBondContact O-N 3.29Å; Q162-R166 VanDerWaalsContact OE1-NH2 3.16Å; Q162-R196 PolarHBondContact NE2-O 3.16Å; Q162-I198 HydrophobicContact CB-CD1 4.37Å; Q162-W338 HydrophobicContact CG-CE3 4.2Å; Q162-W338 HydrophobicContact CG-CH2 3.77Å; Q162-W338 HydrophobicContact CG-CZ3 3.49Å; Q162-W338 VanDerWaalsContact CG-CZ3 3.49Å
163	L	98.8	Very high	98.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.4	-33.4	-174.7	-66.7	-169.8	0	0	0	113.1	L140 I159 A160 R165 R166 I167 F185 I198 L252 M255 F256	L140-L163 HydrophobicContact CD1-CD1 4.35Å; I159-L163 HydrophobicContact CG2-CD1 3.72Å; I159-L163 HydrophobicContact CG2-CG 4.09Å; I159-L163 WeakPolarHBondContact O-CG 3.5Å; I159-L163 PolarHBondContact O-N 3.36Å; A160-L163 PolarHBondContact O-N 2.91Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.88Å; L163-R166 HydrophobicContact CD2-CG 4.28Å; L163-R166 PolarHBondContact O-N 3.42Å; L163-R166 VanDerWaalsContact O-N 3.12Å; L163-I167 PolarHBondContact O-N 2.71Å; L163-F185 HydrophobicContact CD1-CD1 4.1Å; L163-F185 HydrophobicContact CD1-CD2 4.03Å; L163-F185 HydrophobicContact CD1-CE1 4.23Å; L163-F185 HydrophobicContact CD1-CE2 4.18Å; L163-F185 HydrophobicContact CD1-CG 4Å; L163-F185 HydrophobicContact CD1-CZ 4.27Å; L163-F185 HydrophobicContact CD2-CD1 3.37Å; L163-F185 HydrophobicContact CD2-CE1 3.67Å; L163-F185 HydrophobicContact CD2-CG 3.96Å; L163-F185 HydrophobicContact CD2-CZ 4.47Å; L163-F185 HydrophobicContact CG-CD1 4.4Å; L163-I198 HydrophobicContact CD2-CB 4.39Å; L163-I198 HydrophobicContact CD2-CG2 3.73Å; L163-L252 HydrophobicContact CB-CD1 4.39Å; L163-L252 HydrophobicContact CB-CD2 3.96Å; L163-L252 HydrophobicContact CD1-CD2 3.9Å; L163-M255 HydrophobicContact CD1-CE 3.36Å; L163-F256 HydrophobicContact CD1-CE1 4.45Å
164	L	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.2	-44.1	168.9	-77.9	171.2	0	0	0	111.5	A160 Q162 R166 I167 E168 L249 L252 Y303 L321 R322 F325	A160-L164 WeakPolarHBondContact O-CB 3.11Å; A160-L164 WeakPolarHBondContact O-CG 3.42Å; A160-L164 PolarHBondContact O-N 3.24Å; Q162-L164 PolarHBondContact O-N 3.48Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 3.2Å; L164-I167 PolarHBondContact O-N 2.99Å; L164-E168 WeakPolarHBondContact O-CB 3.26Å; L164-E168 PolarHBondContact O-N 3.27Å; L164-L249 HydrophobicContact CD2-CD2 3.85Å; L164-L252 HydrophobicContact CD2-CD1 4.43Å; L164-Y303 HydrophobicContact CD1-CE2 4.47Å; L164-Y303 HydrophobicContact CD2-CE2 4.19Å; L164-L321 HydrophobicContact CD1-CB 3.85Å; L164-L321 HydrophobicContact CD2-CB 4.17Å; L164-L321 HydrophobicContact CD2-CD1 4.08Å; L164-R322 HydrophobicContact CB-CG 4.13Å; L164-R322 HydrophobicContact CD1-CG 3.92Å; L164-F325 HydrophobicContact CD1-CD2 4Å; L164-F325 HydrophobicContact CD1-CE2 3.98Å
165	R	98.5	Very high	98.5	Very high	125 Å²	125	21.2 Å²	21.2	47%	0.472	10%	0.1	S	C	.	.	H	α-helix	trans	-67.6	-27.4	175.4	-69.4	177.8	170	168.7	-1.8	113.5	Q162 L163 Y169	Q162-R165 WeakPolarHBondContact O-CB 3.17Å; Q162-R165 PolarHBondContact O-N 3.45Å; Q162-R165 VanDerWaalsContact O-N 3.14Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.88Å; R165-Y169 WeakPolarHBondContact O-CB 3.39Å; R165-Y169 PolarHBondContact O-N 2.81Å
166	R	98.6	Very high	98.5	Very high	16 Å²	16	21.2 Å²	21.2	6%	0.06	10%	0.1	C	C	.	.	H	α-helix	trans	-72.4	-50.5	172.9	-56.3	-52.3	171.4	-121.6	-10.8	111.1	V114 Q162 L163 L164 Y169 V170 I198 I200	V114-R166 VanDerWaalsContact O-CZ 3.29Å; V114-R166 PolarHBondContact O-NH1 2.99Å; Q162-R166 WeakPolarHBondContact O-CG 3.11Å; Q162-R166 PolarHBondContact O-N 3.29Å; Q162-R166 VanDerWaalsContact OE1-NH2 3.16Å; L163-R166 HydrophobicContact CD2-CG 4.28Å; L163-R166 PolarHBondContact O-N 3.42Å; L163-R166 VanDerWaalsContact O-N 3.12Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 3.2Å; R166-Y169 PolarHBondContact O-N 3.17Å; R166-V170 WeakPolarHBondContact O-CG2 3.45Å; R166-V170 PolarHBondContact O-N 3.35Å; R166-I198 PolarHBondContact NE-O 3.1Å; R166-I198 PolarHBondContact NH2-O 3.48Å; R166-I200 HydrophobicContact CB-CG2 4.32Å
167	I	98.8	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67	-42.1	-177.1	-68.1	-57.5	0	0	0	111.4	L163 L164 Y169 V170 H171 Y177 I200 D248 L249 L252	L163-I167 PolarHBondContact O-N 2.71Å; L164-I167 PolarHBondContact O-N 2.99Å; I167-Y169 VanDerWaalsContact C-N 3.29Å; I167-Y169 PolarHBondContact O-N 2.75Å; I167-V170 WeakPolarHBondContact O-CB 3.17Å; I167-V170 PolarHBondContact O-N 3.43Å; I167-V170 VanDerWaalsContact O-N 3.16Å; I167-H171 WeakPolarHBondContact CG2-CE1 3.23Å; I167-H171 WeakPolarHBondContact CG2-NE2 3.2Å; I167-H171 WeakPolarHBondContact O-CB 3.3Å; I167-H171 PolarHBondContact O-CD2 2.73Å; I167-H171 VanDerWaalsContact O-CD2 3.29Å; I167-H171 PolarHBondContact O-N 2.92Å; I167-Y177 HydrophobicContact CD1-CD1 4.22Å; I167-Y177 HydrophobicContact CD1-CG 4.29Å; I167-I200 HydrophobicContact CD1-CD1 3.92Å; I167-D248 HydrophobicContact CG2-CB 4.17Å; I167-L249 HydrophobicContact CG2-CD2 4.01Å; I167-L252 HydrophobicContact CB-CD1 4.4Å; I167-L252 HydrophobicContact CG1-CD1 3.89Å; I167-L252 HydrophobicContact CG1-CG 4.48Å
168	E	98.7	Very high	98.5	Very high	52 Å²	52	23.4 Å²	23.4	24%	0.243	11%	0.108	C	C	.	.	H	α-helix	trans	-54.3	-42.3	169.7	173.2	-177.7	-125.6	0	0	112.8	L164 H171 S172 Y318 R322	L164-E168 WeakPolarHBondContact O-CB 3.26Å; L164-E168 PolarHBondContact O-N 3.27Å; E168-H171 PolarHBondContact O-N 3.12Å; E168-S172 PolarHBondContact O-N 3.32Å; E168-S172 PolarHBondContact O-OG 2.67Å; E168-Y318 HydrophobicContact CB-CD1 3.87Å; E168-Y318 HydrophobicContact CB-CD2 4.1Å; E168-Y318 HydrophobicContact CB-CE1 4.14Å; E168-Y318 HydrophobicContact CB-CE2 4.37Å; E168-Y318 HydrophobicContact CB-CG 3.86Å; E168-Y318 HydrophobicContact CG-CD1 4.4Å; E168-Y318 HydrophobicContact CG-CD2 3.71Å; E168-Y318 HydrophobicContact CG-CE2 4.08Å; E168-Y318 HydrophobicContact CG-CG 3.91Å; E168-Y318 WeakPolarHBondContact OE1-CB 3.45Å; E168-R322 VanDerWaalsContact CD-NH2 3.3Å; E168-R322 IonicContact OE1-CZ 3.17Å; E168-R322 IonicContact OE1-NH1 3.23Å; E168-R322 PolarHBondContact OE1-NH1 2.83Å; E168-R322 IonicContact OE1-NH2 2.92Å; E168-R322 PolarHBondContact OE1-NH2 2.68Å; E168-R322 IonicContact OE2-CZ 2.71Å; E168-R322 VanDerWaalsContact OE2-CZ 3.29Å; E168-R322 IonicContact OE2-NH1 2.73Å; E168-R322 PolarHBondContact OE2-NH1 2.88Å; E168-R322 IonicContact OE2-NH2 3.52Å; E168-R322 PolarHBondContact OE2-NH2 3.29Å; E168-R322 VanDerWaalsContact OE2-NH2 3.1Å
169	Y	98.7	Very high	98.5	Very high	31 Å²	31	23.8 Å²	23.8	12%	0.122	11%	0.11	C	C	.	.	H	α-helix	trans	-70.8	-34	178	-171.9	-95.5	0	0	0	113.1	L108 G111 V113 F116 R165 R166 I167 H171 S172 K173	L108-Y169 HydrophobicContact CD2-CD1 4.12Å; L108-Y169 HydrophobicContact CD2-CE1 4.2Å; L108-Y169 WeakPolarHBondContact O-CE1 3.43Å; L108-Y169 PolarHBondContact O-OH 2.84Å; G111-Y169 VanDerWaalsContact CA-OH 3.24Å; G111-Y169 WeakPolarHBondContact CA-OH 3.46Å; G111-Y169 PolarHBondContact N-OH 2.91Å; V113-Y169 HydrophobicContact CB-CD1 4.43Å; V113-Y169 HydrophobicContact CB-CD2 4.13Å; V113-Y169 HydrophobicContact CB-CE1 4.17Å; V113-Y169 HydrophobicContact CB-CE2 3.87Å; V113-Y169 HydrophobicContact CB-CG 4.39Å; V113-Y169 HydrophobicContact CG1-CD2 4.21Å; V113-Y169 HydrophobicContact CG1-CE2 4.45Å; V113-Y169 HydrophobicContact CG1-CG 4.24Å; V113-Y169 HydrophobicContact CG2-CD2 3.77Å; V113-Y169 HydrophobicContact CG2-CE1 4.49Å; V113-Y169 HydrophobicContact CG2-CE2 3.32Å; F116-Y169 HydrophobicContact CD2-CD1 4.31Å; F116-Y169 HydrophobicContact CE1-CD1 4.49Å; F116-Y169 AromaticContact CE2-CD1 3.41Å; F116-Y169 HydrophobicContact CE2-CD1 3.41Å; F116-Y169 VanDerWaalsContact CE2-CD1 3.41Å; F116-Y169 HydrophobicContact CE2-CE1 4.01Å; F116-Y169 HydrophobicContact CE2-CG 4.16Å; F116-Y169 AromaticContact CZ-CD1 3.54Å; F116-Y169 HydrophobicContact CZ-CD1 3.54Å; F116-Y169 HydrophobicContact CZ-CE1 4.36Å; F116-Y169 HydrophobicContact CZ-CG 4.34Å; R165-Y169 WeakPolarHBondContact O-CB 3.39Å; R165-Y169 PolarHBondContact O-N 2.81Å; R166-Y169 PolarHBondContact O-N 3.17Å; I167-Y169 VanDerWaalsContact C-N 3.29Å; I167-Y169 PolarHBondContact O-N 2.75Å; Y169-H171 VanDerWaalsContact C-N 3.34Å; Y169-S172 PolarHBondContact O-OG 3.22Å; Y169-K173 HydrophobicContact CD1-CG 4.44Å; Y169-K173 HydrophobicContact CE1-CG 4.04Å; Y169-K173 WeakPolarHBondContact O-CG 3.26Å; Y169-K173 PolarHBondContact O-N 3.24Å; Y169-K173 WeakPolarHBondContact OH-CE 3.39Å
170	V	98.8	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-43.4	170.3	175.4	0	0	0	0	109.8	L108 F116 R166 I167 K173 L175 F203	L108-V170 HydrophobicContact CD2-CB 4.45Å; L108-V170 HydrophobicContact CD2-CG2 3.95Å; F116-V170 HydrophobicContact CE1-CG2 3.81Å; F116-V170 HydrophobicContact CZ-CG2 4.03Å; R166-V170 WeakPolarHBondContact O-CG2 3.45Å; R166-V170 PolarHBondContact O-N 3.35Å; I167-V170 WeakPolarHBondContact O-CB 3.17Å; I167-V170 PolarHBondContact O-N 3.43Å; I167-V170 VanDerWaalsContact O-N 3.16Å; V170-K173 CarbonylContact O-C 3.44Å; V170-K173 PolarHBondContact O-N 3.42Å; V170-L175 CarbonylContact C-O 3.58Å; V170-L175 HydrophobicContact CG1-CB 3.63Å; V170-L175 PolarHBondContact O-N 3.41Å; V170-L175 VanDerWaalsContact O-N 3.11Å; V170-F203 HydrophobicContact CG1-CE1 4.2Å; V170-F203 HydrophobicContact CG2-CE1 3.82Å; V170-F203 HydrophobicContact CG2-CZ 4.06Å
171	H	98.7	Very high	98.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-68	-37.5	179.1	-65.5	-179.4	0	0	0	113.3	I167 E168 Y169 K173 H174 L175 Y209 R245 D248 Y318	I167-H171 WeakPolarHBondContact CG2-CE1 3.23Å; I167-H171 WeakPolarHBondContact CG2-NE2 3.2Å; I167-H171 WeakPolarHBondContact O-CB 3.3Å; I167-H171 PolarHBondContact O-CD2 2.73Å; I167-H171 VanDerWaalsContact O-CD2 3.29Å; I167-H171 PolarHBondContact O-N 2.92Å; E168-H171 PolarHBondContact O-N 3.12Å; Y169-H171 VanDerWaalsContact C-N 3.34Å; H171-K173 PolarHBondContact O-N 2.71Å; H171-H174 PolarHBondContact O-N 3.42Å; H171-H174 VanDerWaalsContact O-N 3.09Å; H171-L175 WeakPolarHBondContact CA-O 3.35Å; H171-L175 PolarHBondContact CD2-O 2.92Å; H171-L175 VanDerWaalsContact CD2-O 3.22Å; H171-Y209 HydrophobicContact CB-CE1 4.42Å; H171-Y209 VanDerWaalsContact O-CE1 3.23Å; H171-Y209 WeakPolarHBondContact O-CE1 3.41Å; H171-Y209 PolarHBondContact O-OH 2.72Å; H171-R245 HydrophobicContact CB-CG 4.4Å; H171-R245 PolarHBondContact CE1-O 3.4Å; H171-R245 VanDerWaalsContact CE1-O 3.29Å; H171-D248 IonicContact NE2-OD2 3.47Å; H171-Y318 WeakPolarHBondContact CB-OH 2.95Å; H171-Y318 AromaticContact ND1-CE1 3.75Å; H171-Y318 AromaticContact ND1-CZ 3.68Å; H171-Y318 PolarHBondContact ND1-OH 2.96Å
172	S	97.9	Very high	98.5	Very high	77 Å²	77	25.2 Å²	25.2	54%	0.538	12%	0.116	S	C	.	.	H	α-helix	trans	-74	-11.8	174	67.1	0	0	0	0	113.4	E168 Y169 H174	E168-S172 PolarHBondContact O-N 3.32Å; E168-S172 PolarHBondContact O-OG 2.67Å; Y169-S172 PolarHBondContact O-OG 3.22Å; S172-H174 VanDerWaalsContact C-N 3.31Å
173	K	97.7	Very high	98.4	Very high	58 Å²	58	27.6 Å²	27.6	25%	0.252	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	19.6	166.3	-68.2	-67.4	-178.9	177.1	0	113.3	I107 L108 S110 Y169 V170 H171 L175	I107-K173 HydrophobicContact CG2-CB 4.02Å; I107-K173 HydrophobicContact CG2-CD 4.09Å; I107-K173 HydrophobicContact CG2-CG 4.4Å; L108-K173 HydrophobicContact CD2-CB 4.16Å; L108-K173 HydrophobicContact CD2-CG 4.2Å; S110-K173 PolarHBondContact OG-NZ 2.75Å; Y169-K173 HydrophobicContact CD1-CG 4.44Å; Y169-K173 HydrophobicContact CE1-CG 4.04Å; Y169-K173 WeakPolarHBondContact O-CG 3.26Å; Y169-K173 PolarHBondContact O-N 3.24Å; Y169-K173 WeakPolarHBondContact OH-CE 3.39Å; V170-K173 CarbonylContact O-C 3.44Å; V170-K173 PolarHBondContact O-N 3.42Å; H171-K173 PolarHBondContact O-N 2.71Å; K173-L175 PolarHBondContact O-N 3.1Å
174	H	98	Very high	98.3	Very high	68 Å²	68	28 Å²	28	32%	0.315	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	14.3	177.8	-62.3	-176.2	0	0	0	114.9	H171 S172 E208 Y209 I210 Q215	H171-H174 PolarHBondContact O-N 3.42Å; H171-H174 VanDerWaalsContact O-N 3.09Å; S172-H174 VanDerWaalsContact C-N 3.31Å; H174-E208 CarbonylContact O-C 3.44Å; H174-E208 WeakPolarHBondContact O-CA 3.44Å; H174-Y209 WeakPolarHBondContact O-CD1 3.39Å; H174-Y209 PolarHBondContact O-N 2.72Å; H174-I210 HydrophobicContact CB-CB 3.9Å; H174-I210 HydrophobicContact CB-CG1 4.19Å; H174-Q215 PolarHBondContact CE1-OE1 2.8Å
175	L	98.5	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	149.4	179.1	-58.3	-179.6	0	0	0	111.8	F104 L108 V170 H171 K173 K207 E208 Y209	F104-L175 HydrophobicContact CB-CD1 3.89Å; F104-L175 HydrophobicContact CD1-CD1 3.72Å; F104-L175 HydrophobicContact CD1-CD2 3.51Å; F104-L175 HydrophobicContact CD1-CG 4.28Å; F104-L175 HydrophobicContact CE1-CD1 4.43Å; F104-L175 HydrophobicContact CE1-CD2 3.39Å; F104-L175 HydrophobicContact CG-CD1 3.87Å; F104-L175 HydrophobicContact CG-CD2 4.31Å; F104-L175 HydrophobicContact CZ-CD2 4.06Å; L108-L175 HydrophobicContact CD1-CD1 4.36Å; L108-L175 HydrophobicContact CD2-CD1 4.42Å; L108-L175 HydrophobicContact CG-CD1 4.3Å; V170-L175 CarbonylContact C-O 3.58Å; V170-L175 HydrophobicContact CG1-CB 3.63Å; V170-L175 PolarHBondContact O-N 3.41Å; V170-L175 VanDerWaalsContact O-N 3.11Å; H171-L175 WeakPolarHBondContact CA-O 3.35Å; H171-L175 PolarHBondContact CD2-O 2.92Å; H171-L175 VanDerWaalsContact CD2-O 3.22Å; K173-L175 PolarHBondContact O-N 3.1Å; L175-K207 CarbonylContact C-O 3.54Å; L175-K207 WeakPolarHBondContact CA-O 3.44Å; L175-E208 HydrophobicContact CD2-CB 4.43Å; L175-E208 HydrophobicContact CD2-CG 3.47Å; L175-E208 VanDerWaalsContact CD2-CG 3.47Å; L175-Y209 VanDerWaalsContact C-CD1 3.49Å; L175-Y209 WeakPolarHBondContact O-CD1 3.23Å
176	I	98.7	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.7	157.6	52.7	175.9	0	0	0	108.8	R178 A206 K207 Y209 Q243 R245	I176-R178 HydrophobicContact CB-CG 4.33Å; I176-R178 HydrophobicContact CD1-CG 3.95Å; I176-R178 HydrophobicContact CG1-CG 3.92Å; I176-A206 CarbonylContact O-C 3.52Å; I176-A206 WeakPolarHBondContact O-CA 3.38Å; I176-A206 WeakPolarHBondContact O-CB 3.4Å; I176-K207 HydrophobicContact CD1-CB 4.48Å; I176-K207 HydrophobicContact CD1-CD 4.49Å; I176-K207 HydrophobicContact CG1-CB 4.04Å; I176-K207 WeakPolarHBondContact CG1-O 3.38Å; I176-K207 PolarHBondContact N-O 3.29Å; I176-K207 PolarHBondContact O-N 3.37Å; I176-Y209 HydrophobicContact CG2-CD1 3.75Å; I176-Y209 HydrophobicContact CG2-CG 3.93Å; I176-Q243 HydrophobicContact CD1-CB 4.22Å; I176-Q243 WeakPolarHBondContact CD1-O 3.14Å; I176-R245 HydrophobicContact CG2-CG 4.24Å
177	Y	98.6	Very high	98.3	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.111	C	C	.	.			trans	-94.8	-42.5	-165.7	179.6	-113.3	0	0	0	113.3	I167 D179 V180 N184 F185 I200 I201 F203 D248	I167-Y177 HydrophobicContact CD1-CD1 4.22Å; I167-Y177 HydrophobicContact CD1-CG 4.29Å; Y177-D179 VanDerWaalsContact CE1-C 3.41Å; Y177-D179 WeakPolarHBondContact CE1-O 3.47Å; Y177-D179 PolarHBondContact O-N 3.18Å; Y177-D179 VanDerWaalsContact O-N 3.1Å; Y177-V180 HydrophobicContact CD1-CG2 3.82Å; Y177-V180 HydrophobicContact CE1-CG2 4.33Å; Y177-N184 WeakPolarHBondContact OH-CB 3.46Å; Y177-N184 PolarHBondContact OH-ND2 2.7Å; Y177-F185 HydrophobicContact CE1-CZ 4.41Å; Y177-I200 HydrophobicContact CD1-CD1 4Å; Y177-I200 HydrophobicContact CD2-CD1 3.69Å; Y177-I200 HydrophobicContact CD2-CG1 4.32Å; Y177-I200 HydrophobicContact CE1-CD1 3.95Å; Y177-I200 HydrophobicContact CE1-CG1 4.32Å; Y177-I200 HydrophobicContact CE2-CD1 3.65Å; Y177-I200 HydrophobicContact CE2-CG1 3.78Å; Y177-I200 HydrophobicContact CG-CD1 3.86Å; Y177-I201 WeakPolarHBondContact CE2-O 3.33Å; Y177-I201 PolarHBondContact OH-O 3.39Å; Y177-F203 AromaticContact CD2-CD1 3.84Å; Y177-F203 HydrophobicContact CD2-CD1 3.84Å; Y177-F203 AromaticContact CD2-CE1 3.59Å; Y177-F203 HydrophobicContact CD2-CE1 3.59Å; Y177-F203 HydrophobicContact CD2-CZ 4.09Å; Y177-F203 HydrophobicContact CE2-CD1 4.13Å; Y177-F203 HydrophobicContact CE2-CD2 4.49Å; Y177-F203 AromaticContact CE2-CE1 4Å; Y177-F203 HydrophobicContact CE2-CE1 4Å; Y177-F203 HydrophobicContact CE2-CE2 4.38Å; Y177-F203 HydrophobicContact CE2-CG 4.36Å; Y177-F203 HydrophobicContact CE2-CZ 4.12Å; Y177-D248 PolarHBondContact N-OD2 3Å
178	R	98.5	Very high	98.2	Very high	45 Å²	45	22.5 Å²	22.5	17%	0.17	11%	0.111	C	C	.	.			trans	65.6	-0.9	169	-50.8	-165.2	-62	161.9	1	118.2	I176 L205 G228 Q243 D248	I176-R178 HydrophobicContact CB-CG 4.33Å; I176-R178 HydrophobicContact CD1-CG 3.95Å; I176-R178 HydrophobicContact CG1-CG 3.92Å; R178-L205 PolarHBondContact NE-O 3.21Å; R178-L205 PolarHBondContact NH2-O 3.09Å; R178-G228 WeakPolarHBondContact O-CA 3.3Å; R178-Q243 HydrophobicContact CG-CB 4.41Å; R178-D248 WeakPolarHBondContact CA-OD1 3.42Å; R178-D248 PolarHBondContact N-OD1 3.31Å; R178-D248 PolarHBondContact N-OD2 2.93Å
179	D	97.7	Very high	98	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.043	11%	0.108	C	C	.	.			trans	-136.9	48.8	174.9	-162.1	32.8	0	0	0	113.6	Y177 K181 N184 L205 G228 T229	Y177-D179 VanDerWaalsContact CE1-C 3.41Å; Y177-D179 WeakPolarHBondContact CE1-O 3.47Å; Y177-D179 PolarHBondContact O-N 3.18Å; Y177-D179 VanDerWaalsContact O-N 3.1Å; D179-K181 PolarHBondContact O-N 3.37Å; D179-K181 VanDerWaalsContact O-N 3.09Å; D179-K181 IonicContact OD2-NZ 3.57Å; D179-K181 PolarHBondContact OD2-NZ 3.05Å; D179-N184 PolarHBondContact O-ND2 2.89Å; D179-L205 HydrophobicContact CB-CB 4.33Å; D179-L205 HydrophobicContact CB-CD1 3.94Å; D179-G228 WeakPolarHBondContact OD1-CA 3.49Å; D179-T229 WeakPolarHBondContact OD1-CB 3.06Å; D179-T229 PolarHBondContact OD1-N 2.82Å; D179-T229 PolarHBondContact OD1-OG1 2.83Å
180	V	98.7	Very high	97.6	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.024	12%	0.123	C	C	.	.			trans	-58.1	110.5	171.7	177.5	0	0	0	0	110.4	Y177 F185 Y232 D248 A251 L252 M255	Y177-V180 HydrophobicContact CD1-CG2 3.82Å; Y177-V180 HydrophobicContact CE1-CG2 4.33Å; V180-F185 HydrophobicContact CG1-CE2 3.95Å; V180-F185 HydrophobicContact CG1-CZ 4.23Å; V180-Y232 VanDerWaalsContact O-CB 3.23Å; V180-Y232 WeakPolarHBondContact O-CB 3.34Å; V180-Y232 WeakPolarHBondContact O-CD2 3.19Å; V180-D248 HydrophobicContact CG2-CB 4.25Å; V180-D248 WeakPolarHBondContact CG2-OD1 3.49Å; V180-A251 HydrophobicContact CB-CB 3.73Å; V180-A251 HydrophobicContact CG1-CB 4.1Å; V180-A251 HydrophobicContact CG2-CB 4.19Å; V180-L252 HydrophobicContact CG1-CD2 3.73Å; V180-L252 HydrophobicContact CG1-CG 4.08Å; V180-M255 HydrophobicContact CG1-CE 4.29Å; V180-M255 HydrophobicContact CG1-SD 4.15Å
181	K	98.2	Very high	97.1	Very high	29 Å²	29	34.3 Å²	34.3	13%	0.126	16%	0.158	C	C	.	.			trans	-155.2	146.4	176	71.2	-171.2	-167.8	-113.8	0	110.7	D179 E183 N184 F185 D202 T229 Y232	D179-K181 PolarHBondContact O-N 3.37Å; D179-K181 VanDerWaalsContact O-N 3.09Å; D179-K181 IonicContact OD2-NZ 3.57Å; D179-K181 PolarHBondContact OD2-NZ 3.05Å; K181-E183 VanDerWaalsContact CB-OE2 3.3Å; K181-E183 WeakPolarHBondContact CB-OE2 3.5Å; K181-E183 HydrophobicContact CD-CB 4.43Å; K181-E183 HydrophobicContact CG-CB 4.21Å; K181-E183 WeakPolarHBondContact CG-OE2 3.2Å; K181-E183 PolarHBondContact O-N 3.42Å; K181-E183 VanDerWaalsContact O-N 3.1Å; K181-N184 VanDerWaalsContact CE-CG 3.44Å; K181-N184 WeakPolarHBondContact CE-OD1 3.4Å; K181-N184 HydrophobicContact CG-CB 4.03Å; K181-N184 VanDerWaalsContact NZ-CG 3.32Å; K181-N184 PolarHBondContact NZ-ND2 2.73Å; K181-N184 PolarHBondContact NZ-OD1 3.25Å; K181-N184 PolarHBondContact O-N 3.28Å; K181-F185 WeakPolarHBondContact O-CD2 3.21Å; K181-F185 WeakPolarHBondContact O-CE2 3.35Å; K181-D202 IonicContact NZ-OD2 3.82Å; K181-T229 HydrophobicContact CB-CG2 4.45Å; K181-T229 VanDerWaalsContact CD-OG1 3.3Å; K181-T229 WeakPolarHBondContact CD-OG1 3.18Å; K181-Y232 HydrophobicContact CB-CD2 3.69Å; K181-Y232 HydrophobicContact CB-CE2 3.79Å
182	P	98.5	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54	-31.1	-178.7	-29.5	36.9	0	0	0	114.6	L140 E141 N184 F185 Y232 M255 Y258 F259	L140-P182 HydrophobicContact CB-CB 4.14Å; L140-P182 PolarHBondContact N-O 2.84Å; E141-P182 HydrophobicContact CB-CB 4Å; P182-N184 PolarHBondContact O-N 3.04Å; P182-F185 PolarHBondContact O-N 3.41Å; P182-Y232 VanDerWaalsContact CD-OH 3.26Å; P182-Y232 WeakPolarHBondContact CD-OH 3.17Å; P182-Y232 HydrophobicContact CG-CE1 4.47Å; P182-Y232 HydrophobicContact CG-CE2 4.34Å; P182-Y232 WeakPolarHBondContact CG-OH 3.49Å; P182-M255 HydrophobicContact CB-SD 4.44Å; P182-M255 VanDerWaalsContact CD-SD 3.54Å; P182-M255 HydrophobicContact CG-CG 3.7Å; P182-M255 HydrophobicContact CG-SD 3.76Å; P182-M255 VanDerWaalsContact N-SD 3.43Å; P182-Y258 HydrophobicContact CG-CD1 4.06Å; P182-Y258 HydrophobicContact CG-CE1 3.88Å; P182-F259 HydrophobicContact CB-CE1 3.84Å; P182-F259 HydrophobicContact CB-CZ 3.75Å; P182-F259 HydrophobicContact CG-CE1 3.71Å; P182-F259 HydrophobicContact CG-CZ 3.65Å
183	E	97	Very high	96.5	Very high	63 Å²	63	40.2 Å²	40.2	29%	0.294	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-64.9	-23	179.2	-56.6	89.8	154.8	0	0	112.8	E141 K181 L186 R231	E141-E183 HydrophobicContact CB-CG 4.11Å; E141-E183 HydrophobicContact CG-CG 4.47Å; K181-E183 VanDerWaalsContact CB-OE2 3.3Å; K181-E183 WeakPolarHBondContact CB-OE2 3.5Å; K181-E183 HydrophobicContact CD-CB 4.43Å; K181-E183 HydrophobicContact CG-CB 4.21Å; K181-E183 WeakPolarHBondContact CG-OE2 3.2Å; K181-E183 PolarHBondContact O-N 3.42Å; K181-E183 VanDerWaalsContact O-N 3.1Å; E183-L186 WeakPolarHBondContact O-CD1 3.31Å; E183-R231 IonicContact OE1-NH1 3.14Å
184	N	97.8	Very high	96.3	Very high	8 Å²	8	41 Å²	41	4%	0.043	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-97.9	1.6	179.3	-77.9	3.7	0	0	0	114.3	Y177 D179 K181 P182 I201	Y177-N184 WeakPolarHBondContact OH-CB 3.46Å; Y177-N184 PolarHBondContact OH-ND2 2.7Å; D179-N184 PolarHBondContact O-ND2 2.89Å; K181-N184 VanDerWaalsContact CE-CG 3.44Å; K181-N184 WeakPolarHBondContact CE-OD1 3.4Å; K181-N184 HydrophobicContact CG-CB 4.03Å; K181-N184 VanDerWaalsContact NZ-CG 3.32Å; K181-N184 PolarHBondContact NZ-ND2 2.73Å; K181-N184 PolarHBondContact NZ-OD1 3.25Å; K181-N184 PolarHBondContact O-N 3.28Å; P182-N184 PolarHBondContact O-N 3.04Å; N184-I201 HydrophobicContact CB-CG1 4.31Å; N184-I201 WeakPolarHBondContact O-CG1 3.15Å; N184-I201 PolarHBondContact O-N 2.96Å; N184-I201 VanDerWaalsContact O-N 3.08Å
185	F	98.6	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113.8	175.2	-62	-67.9	0	0	0	109.5	S139 L140 L163 Y177 V180 K181 P182 I198 Y199 I200 L252 M255	S139-F185 CarbonylContact C-O 3.54Å; S139-F185 VanDerWaalsContact CA-O 3.31Å; S139-F185 WeakPolarHBondContact CA-O 3.46Å; L140-F185 HydrophobicContact CD1-CB 3.68Å; L140-F185 HydrophobicContact CD1-CG 4.45Å; L140-F185 HydrophobicContact CG-CB 3.89Å; L140-F185 PolarHBondContact N-O 3.38Å; L163-F185 HydrophobicContact CD1-CD1 4.1Å; L163-F185 HydrophobicContact CD1-CD2 4.03Å; L163-F185 HydrophobicContact CD1-CE1 4.23Å; L163-F185 HydrophobicContact CD1-CE2 4.18Å; L163-F185 HydrophobicContact CD1-CG 4Å; L163-F185 HydrophobicContact CD1-CZ 4.27Å; L163-F185 HydrophobicContact CD2-CD1 3.37Å; L163-F185 HydrophobicContact CD2-CE1 3.67Å; L163-F185 HydrophobicContact CD2-CG 3.96Å; L163-F185 HydrophobicContact CD2-CZ 4.47Å; L163-F185 HydrophobicContact CG-CD1 4.4Å; Y177-F185 HydrophobicContact CE1-CZ 4.41Å; V180-F185 HydrophobicContact CG1-CE2 3.95Å; V180-F185 HydrophobicContact CG1-CZ 4.23Å; K181-F185 WeakPolarHBondContact O-CD2 3.21Å; K181-F185 WeakPolarHBondContact O-CE2 3.35Å; P182-F185 PolarHBondContact O-N 3.41Å; F185-I198 HydrophobicContact CB-CG2 4Å; F185-Y199 VanDerWaalsContact CA-O 3.3Å; F185-Y199 WeakPolarHBondContact CA-O 3.31Å; F185-I200 HydrophobicContact CD1-CB 4.17Å; F185-I200 HydrophobicContact CD1-CG1 4.26Å; F185-I200 HydrophobicContact CE1-CB 4.04Å; F185-I200 HydrophobicContact CE1-CD1 3.85Å; F185-I200 HydrophobicContact CE1-CG1 3.77Å; F185-I200 HydrophobicContact CZ-CD1 4.48Å; F185-L252 HydrophobicContact CZ-CD2 4.39Å; F185-M255 HydrophobicContact CD2-CE 3.71Å; F185-M255 HydrophobicContact CD2-SD 3.8Å; F185-M255 HydrophobicContact CE2-CE 3.59Å; F185-M255 HydrophobicContact CE2-SD 3.74Å; F185-M255 HydrophobicContact CZ-CE 4.5Å
186	L	98.2	Very high	95.9	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.141	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.9	-173.1	-79	63.8	0	0	0	110.5	L136 P138 E183 Y199 I201	L136-L186 HydrophobicContact CB-CB 4.06Å; L136-L186 HydrophobicContact CB-CD2 3.89Å; L136-L186 HydrophobicContact CD1-CB 3.95Å; L136-L186 HydrophobicContact CD1-CD2 4.22Å; P138-L186 WeakPolarHBondContact O-CA 3.45Å; E183-L186 WeakPolarHBondContact O-CD1 3.31Å; L186-Y199 PolarHBondContact N-O 3.1Å; L186-Y199 PolarHBondContact O-N 3.21Å; L186-I201 HydrophobicContact CD1-CD1 3.67Å; L186-I201 HydrophobicContact CD1-CG1 3.99Å; L186-I201 HydrophobicContact CD2-CD1 4.11Å
187	I	98	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	156.8	169.4	61.6	168.3	0	0	0	111.2	G137 P138 L143 H195 T197 W342 L347	G137-I187 WeakPolarHBondContact CA-O 3.49Å; G137-I187 PolarHBondContact N-O 3.32Å; P138-I187 HydrophobicContact CG-CD1 3.92Å; P138-I187 HydrophobicContact CG-CG1 3.96Å; P138-I187 PolarHBondContact O-N 3.47Å; P138-I187 VanDerWaalsContact O-N 3.09Å; L143-I187 HydrophobicContact CD1-CD1 4.03Å; L143-I187 HydrophobicContact CD1-CG1 4.12Å; L143-I187 HydrophobicContact CD1-CG2 3.75Å; L143-I187 HydrophobicContact CD2-CD1 4.32Å; I187-H195 WeakPolarHBondContact CB-O 3.2Å; I187-H195 HydrophobicContact CD1-CB 4.34Å; I187-T197 WeakPolarHBondContact CA-O 3.36Å; I187-W342 HydrophobicContact CG2-CZ2 4.13Å; I187-L347 HydrophobicContact CD1-CD1 4.07Å; I187-L347 HydrophobicContact CD1-CD2 4.22Å
188	G	96.7	Very high	95.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-69.4	160.8	171.6	0	0	0	0	0	113	Q190 R194 H195 T197	G188-Q190 PolarHBondContact O-N 3.03Å; G188-R194 VanDerWaalsContact CA-O 3.3Å; G188-R194 WeakPolarHBondContact CA-O 3.33Å; G188-R194 PolarHBondContact N-O 2.87Å; G188-H195 VanDerWaalsContact O-CA 3.26Å; G188-H195 WeakPolarHBondContact O-CA 3.21Å; G188-H195 PolarHBondContact O-N 3.06Å; G188-T197 PolarHBondContact N-O 2.95Å; G188-T197 VanDerWaalsContact N-O 3.14Å
189	R	94.1	Very high	95.8	Very high	48 Å²	48	41 Å²	41	18%	0.181	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-62.4	128.8	177.6	-78.1	170.7	62.7	-161.9	-6.2	111.3	E82 L135 Y191 Y192 R194	E82-R189 IonicContact OE2-CZ 2.73Å; E82-R189 IonicContact OE2-NH1 3.69Å; E82-R189 PolarHBondContact OE2-NH1 2.81Å; E82-R189 IonicContact OE2-NH2 3.79Å; L135-R189 WeakPolarHBondContact O-CD 3.21Å; L135-R189 WeakPolarHBondContact O-CG 3.32Å; R189-Y191 PolarHBondContact O-N 2.78Å; R189-Y191 VanDerWaalsContact O-N 3.17Å; R189-Y192 HydrophobicContact CB-CD2 3.87Å; R189-Y192 HydrophobicContact CB-CE2 4Å; R189-Y192 PolarHBondContact NH1-OH 3.1Å; R189-Y192 PolarHBondContact NH2-OH 3.09Å; R189-Y192 PolarHBondContact O-N 2.99Å; R189-R194 PolarHBondContact O-N 2.77Å
190	Q	90.2	Very high	95.9	Very high	96 Å²	96	40.7 Å²	40.7	45%	0.449	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-50.6	-38.5	175.7	-169.9	71.6	33.8	0	0	112.9	G188 Y192 N193 H195 L347	G188-Q190 PolarHBondContact O-N 3.03Å; Q190-Y192 PolarHBondContact O-N 2.95Å; Q190-N193 WeakPolarHBondContact O-CA 3.34Å; Q190-N193 PolarHBondContact O-N 3.21Å; Q190-H195 PolarHBondContact NE2-CD2 2.87Å; Q190-H195 PolarHBondContact NE2-CE1 2.95Å; Q190-H195 VanDerWaalsContact NE2-CE1 3.33Å; Q190-H195 PolarHBondContact NE2-NE2 3.39Å; Q190-H195 PolarHBondContact OE1-CD2 2.77Å; Q190-L347 HydrophobicContact CB-CD1 4.23Å
191	Y	89.2	Confident	95.8	Very high	186 Å²	186	42.1 Å²	42.1	73%	0.729	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-59.6	-26.5	-176	-177.4	-108.8	0	0	0	114.2	R189	R189-Y191 PolarHBondContact O-N 2.78Å; R189-Y191 VanDerWaalsContact O-N 3.17Å
192	Y	90.9	Very high	95.6	Very high	86 Å²	86	42 Å²	42	34%	0.337	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-104.2	18.1	172.9	-43.6	-70	0	0	0	112.8	E82 R189 Q190 R194	E82-Y192 PolarHBondContact OE1-OH 2.82Å; E82-Y192 PolarHBondContact OE2-OH 3.34Å; R189-Y192 HydrophobicContact CB-CD2 3.87Å; R189-Y192 HydrophobicContact CB-CE2 4Å; R189-Y192 PolarHBondContact NH1-OH 3.1Å; R189-Y192 PolarHBondContact NH2-OH 3.09Å; R189-Y192 PolarHBondContact O-N 2.99Å; Q190-Y192 PolarHBondContact O-N 2.95Å; Y192-R194 PolarHBondContact O-N 3.22Å
193	N	91.8	Very high	95.5	Very high	117 Å²	117	42 Å²	42	63%	0.626	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	9.1	-171.7	-157.9	17.6	0	0	0	115.4	Q190 H195	Q190-N193 WeakPolarHBondContact O-CA 3.34Å; Q190-N193 PolarHBondContact O-N 3.21Å; N193-H195 PolarHBondContact O-N 3.29Å; N193-H195 VanDerWaalsContact O-N 3.14Å; N193-H195 PolarHBondContact O-ND1 2.84Å; N193-H195 PolarHBondContact OD1-CE1 3.11Å; N193-H195 PolarHBondContact OD1-ND1 2.92Å
194	R	93.8	Very high	95.4	Very high	75 Å²	75	39.3 Å²	39.3	28%	0.283	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-77.1	2.7	-174.8	-61.2	-178.8	91.4	-171.1	4.2	114.8	E134 G188 R189 Y192 R196 T197 Y199	E134-R194 IonicContact OE1-CZ 2.67Å; E134-R194 IonicContact OE1-NH1 3.37Å; E134-R194 PolarHBondContact OE1-NH1 3.01Å; E134-R194 IonicContact OE2-CZ 3.04Å; E134-R194 IonicContact OE2-NH1 3.77Å; E134-R194 PolarHBondContact OE2-NH1 3.29Å; G188-R194 VanDerWaalsContact CA-O 3.3Å; G188-R194 WeakPolarHBondContact CA-O 3.33Å; G188-R194 PolarHBondContact N-O 2.87Å; R189-R194 PolarHBondContact O-N 2.77Å; Y192-R194 PolarHBondContact O-N 3.22Å; R194-R196 VanDerWaalsContact C-N 3.25Å; R194-R196 PolarHBondContact O-N 3.33Å; R194-T197 PolarHBondContact O-N 3.14Å; R194-Y199 PolarHBondContact NE-OH 3.04Å; R194-Y199 PolarHBondContact NH2-OH 3.48Å; R194-Y199 VanDerWaalsContact NH2-OH 3.15Å
195	H	92.5	Very high	95.2	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.037	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.8	-20.8	-176.1	70.9	-62.1	0	0	0	116.3	I187 G188 Q190 N193	I187-H195 WeakPolarHBondContact CB-O 3.2Å; I187-H195 HydrophobicContact CD1-CB 4.34Å; G188-H195 VanDerWaalsContact O-CA 3.26Å; G188-H195 WeakPolarHBondContact O-CA 3.21Å; G188-H195 PolarHBondContact O-N 3.06Å; Q190-H195 PolarHBondContact NE2-CD2 2.87Å; Q190-H195 PolarHBondContact NE2-CE1 2.95Å; Q190-H195 VanDerWaalsContact NE2-CE1 3.33Å; Q190-H195 PolarHBondContact NE2-NE2 3.39Å; Q190-H195 PolarHBondContact OE1-CD2 2.77Å; N193-H195 PolarHBondContact O-N 3.29Å; N193-H195 VanDerWaalsContact O-N 3.14Å; N193-H195 PolarHBondContact O-ND1 2.84Å; N193-H195 PolarHBondContact OD1-CE1 3.11Å; N193-H195 PolarHBondContact OD1-ND1 2.92Å
196	R	95.4	Very high	95.2	Very high	69 Å²	69	40.4 Å²	40.4	26%	0.26	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-86.1	-9.8	176	-59.2	-174.6	-169.5	-78.7	7.3	113.2	Q162 R194 W338 E339	Q162-R196 PolarHBondContact NE2-O 3.16Å; R194-R196 VanDerWaalsContact C-N 3.25Å; R194-R196 PolarHBondContact O-N 3.33Å; R196-W338 HydrophobicContact CB-CB 3.97Å; R196-W338 HydrophobicContact CG-CB 4.31Å; R196-W338 PolarHBondContact NH1-O 2.89Å; R196-E339 IonicContact CZ-OE1 2.8Å; R196-E339 VanDerWaalsContact CZ-OE1 3.27Å; R196-E339 IonicContact CZ-OE2 3.78Å; R196-E339 IonicContact NH1-OE1 2.72Å; R196-E339 PolarHBondContact NH1-OE1 2.86Å; R196-E339 IonicContact NH1-OE2 3.1Å; R196-E339 PolarHBondContact NH1-OE2 3.45Å; R196-E339 VanDerWaalsContact NH2-CD 3.31Å; R196-E339 IonicContact NH2-OE1 3.43Å; R196-E339 PolarHBondContact NH2-OE1 3.47Å; R196-E339 IonicContact NH2-OE2 3.51Å; R196-E339 PolarHBondContact NH2-OE2 2.84Å
197	T	97.6	Very high	95.1	Very high	37 Å²	37	41.3 Å²	41.3	23%	0.227	19%	0.185	C	C	.	.	S	Bend	trans	-97	125.5	177.5	-54.3	0	0	0	0	109.8	I187 G188 R194 Y199	I187-T197 WeakPolarHBondContact CA-O 3.36Å; G188-T197 PolarHBondContact N-O 2.95Å; G188-T197 VanDerWaalsContact N-O 3.14Å; R194-T197 PolarHBondContact O-N 3.14Å; T197-Y199 HydrophobicContact CG2-CD2 4.33Å; T197-Y199 HydrophobicContact CG2-CE1 4.5Å; T197-Y199 HydrophobicContact CG2-CE2 3.64Å; T197-Y199 VanDerWaalsContact O-CD2 3.27Å; T197-Y199 WeakPolarHBondContact O-CD2 3.39Å; T197-Y199 WeakPolarHBondContact O-CE2 3.3Å
198	I	98.6	Very high	95.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.2	172.3	-50.9	174	0	0	0	109.2	L140 I159 Q162 L163 R166 F185 F340	L140-I198 HydrophobicContact CD2-CD1 4.43Å; I159-I198 HydrophobicContact CB-CD1 4.13Å; I159-I198 HydrophobicContact CG1-CD1 3.83Å; I159-I198 HydrophobicContact CG2-CD1 4.13Å; Q162-I198 HydrophobicContact CB-CD1 4.37Å; L163-I198 HydrophobicContact CD2-CB 4.39Å; L163-I198 HydrophobicContact CD2-CG2 3.73Å; R166-I198 PolarHBondContact NE-O 3.1Å; R166-I198 PolarHBondContact NH2-O 3.48Å; F185-I198 HydrophobicContact CB-CG2 4Å; I198-F340 HydrophobicContact CD1-CZ 4.5Å
199	Y	98.6	Very high	95.2	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151.2	179.5	-63.4	-102.2	0	0	0	110.6	G115 L136 F185 L186 R194 T197	G115-Y199 VanDerWaalsContact CA-CD1 3.43Å; G115-Y199 CarbonylContact O-C 3.41Å; G115-Y199 WeakPolarHBondContact O-CA 3.33Å; L136-Y199 HydrophobicContact CD1-CG 4.03Å; L136-Y199 HydrophobicContact CD2-CD1 3.97Å; L136-Y199 HydrophobicContact CD2-CD2 3.96Å; L136-Y199 HydrophobicContact CD2-CE1 4.36Å; L136-Y199 HydrophobicContact CD2-CE2 4.34Å; L136-Y199 HydrophobicContact CD2-CG 3.82Å; F185-Y199 VanDerWaalsContact CA-O 3.3Å; F185-Y199 WeakPolarHBondContact CA-O 3.31Å; L186-Y199 PolarHBondContact N-O 3.1Å; L186-Y199 PolarHBondContact O-N 3.21Å; R194-Y199 PolarHBondContact NE-OH 3.04Å; R194-Y199 PolarHBondContact NH2-OH 3.48Å; R194-Y199 VanDerWaalsContact NH2-OH 3.15Å; T197-Y199 HydrophobicContact CG2-CD2 4.33Å; T197-Y199 HydrophobicContact CG2-CE1 4.5Å; T197-Y199 HydrophobicContact CG2-CE2 3.64Å; T197-Y199 VanDerWaalsContact O-CD2 3.27Å; T197-Y199 WeakPolarHBondContact O-CD2 3.39Å; T197-Y199 WeakPolarHBondContact O-CE2 3.3Å
200	I	98.6	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136	172.7	-175.3	171.9	0	0	0	109.8	G115 F116 P117 R166 I167 Y177 F185 F203	G115-I200 PolarHBondContact O-N 3.26Å; F116-I200 HydrophobicContact CD1-CG2 3.59Å; F116-I200 HydrophobicContact CE1-CG2 3.29Å; F116-I200 HydrophobicContact CG-CG2 4.47Å; F116-I200 HydrophobicContact CZ-CG2 3.96Å; P117-I200 WeakPolarHBondContact CD-O 3.5Å; R166-I200 HydrophobicContact CB-CG2 4.32Å; I167-I200 HydrophobicContact CD1-CD1 3.92Å; Y177-I200 HydrophobicContact CD1-CD1 4Å; Y177-I200 HydrophobicContact CD2-CD1 3.69Å; Y177-I200 HydrophobicContact CD2-CG1 4.32Å; Y177-I200 HydrophobicContact CE1-CD1 3.95Å; Y177-I200 HydrophobicContact CE1-CG1 4.32Å; Y177-I200 HydrophobicContact CE2-CD1 3.65Å; Y177-I200 HydrophobicContact CE2-CG1 3.78Å; Y177-I200 HydrophobicContact CG-CD1 3.86Å; F185-I200 HydrophobicContact CD1-CB 4.17Å; F185-I200 HydrophobicContact CD1-CG1 4.26Å; F185-I200 HydrophobicContact CE1-CB 4.04Å; F185-I200 HydrophobicContact CE1-CD1 3.85Å; F185-I200 HydrophobicContact CE1-CG1 3.77Å; F185-I200 HydrophobicContact CZ-CD1 4.48Å; I200-F203 HydrophobicContact CB-CZ 4.4Å; I200-F203 HydrophobicContact CD1-CE1 4.45Å; I200-F203 HydrophobicContact CD1-CZ 3.89Å; I200-F203 HydrophobicContact CG1-CE2 4.14Å; I200-F203 HydrophobicContact CG1-CZ 3.87Å; I200-F203 HydrophobicContact CG2-CE2 4.08Å; I200-F203 HydrophobicContact CG2-CZ 3.76Å
201	I	97.1	Very high	95.6	Very high	35 Å²	35	41 Å²	41	18%	0.179	19%	0.188	C	C	.	.			trans	-127.3	179.5	179.4	70.2	163.3	0	0	0	112.7	Y105 P117 L136 Y177 N184 L186	Y105-I201 WeakPolarHBondContact OH-CA 3.46Å; P117-I201 HydrophobicContact CG-CG2 4.22Å; L136-I201 HydrophobicContact CD1-CG2 3.73Å; Y177-I201 WeakPolarHBondContact CE2-O 3.33Å; Y177-I201 PolarHBondContact OH-O 3.39Å; N184-I201 HydrophobicContact CB-CG1 4.31Å; N184-I201 WeakPolarHBondContact O-CG1 3.15Å; N184-I201 PolarHBondContact O-N 2.96Å; N184-I201 VanDerWaalsContact O-N 3.08Å; L186-I201 HydrophobicContact CD1-CD1 3.67Å; L186-I201 HydrophobicContact CD1-CG1 3.99Å; L186-I201 HydrophobicContact CD2-CD1 4.11Å
202	D	94.9	Very high	95.7	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.144	18%	0.175	C	C	.	.			trans	60.7	65.6	169.2	-161.6	24.7	0	0	0	114.1	K87 E101 Y105 K181 G204	K87-D202 IonicContact NZ-OD1 2.64Å; K87-D202 PolarHBondContact NZ-OD1 3.45Å; E101-D202 WeakPolarHBondContact OE1-CA 3.44Å; Y105-D202 PolarHBondContact OH-N 2.93Å; K181-D202 IonicContact NZ-OD2 3.82Å; D202-G204 PolarHBondContact O-N 3.4Å
203	F	96.3	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-82.5	13.4	178.5	-73.6	-95.8	0	0	0	113.6	E101 F104 Y105 L108 F116 V170 Y177 I200 L205 A206	E101-F203 HydrophobicContact CG-CB 4.18Å; E101-F203 PolarHBondContact OE1-N 3.21Å; F104-F203 HydrophobicContact CB-CB 4.23Å; F104-F203 HydrophobicContact CD2-CB 4.31Å; Y105-F203 HydrophobicContact CD1-CD2 4.43Å; Y105-F203 AromaticContact CE1-CD2 3.74Å; Y105-F203 HydrophobicContact CE1-CD2 3.74Å; Y105-F203 AromaticContact CE1-CE2 3.91Å; Y105-F203 HydrophobicContact CE1-CE2 3.91Å; Y105-F203 HydrophobicContact CE2-CD2 4.28Å; Y105-F203 AromaticContact CZ-CD2 3.67Å; L108-F203 HydrophobicContact CD1-CD1 3.8Å; L108-F203 HydrophobicContact CD1-CD2 4.31Å; L108-F203 HydrophobicContact CD1-CE1 3.44Å; L108-F203 VanDerWaalsContact CD1-CE1 3.44Å; L108-F203 HydrophobicContact CD1-CE2 3.98Å; L108-F203 HydrophobicContact CD1-CG 4.24Å; L108-F203 HydrophobicContact CD1-CZ 3.55Å; F116-F203 HydrophobicContact CD1-CE2 4.38Å; F116-F203 HydrophobicContact CD1-CZ 4.16Å; F116-F203 AromaticContact CE1-CZ 3.92Å; F116-F203 HydrophobicContact CE1-CZ 3.92Å; V170-F203 HydrophobicContact CG1-CE1 4.2Å; V170-F203 HydrophobicContact CG2-CE1 3.82Å; V170-F203 HydrophobicContact CG2-CZ 4.06Å; Y177-F203 AromaticContact CD2-CD1 3.84Å; Y177-F203 HydrophobicContact CD2-CD1 3.84Å; Y177-F203 AromaticContact CD2-CE1 3.59Å; Y177-F203 HydrophobicContact CD2-CE1 3.59Å; Y177-F203 HydrophobicContact CD2-CZ 4.09Å; Y177-F203 HydrophobicContact CE2-CD1 4.13Å; Y177-F203 HydrophobicContact CE2-CD2 4.49Å; Y177-F203 AromaticContact CE2-CE1 4Å; Y177-F203 HydrophobicContact CE2-CE1 4Å; Y177-F203 HydrophobicContact CE2-CE2 4.38Å; Y177-F203 HydrophobicContact CE2-CG 4.36Å; Y177-F203 HydrophobicContact CE2-CZ 4.12Å; I200-F203 HydrophobicContact CB-CZ 4.4Å; I200-F203 HydrophobicContact CD1-CE1 4.45Å; I200-F203 HydrophobicContact CD1-CZ 3.89Å; I200-F203 HydrophobicContact CG1-CE2 4.14Å; I200-F203 HydrophobicContact CG1-CZ 3.87Å; I200-F203 HydrophobicContact CG2-CE2 4.08Å; I200-F203 HydrophobicContact CG2-CZ 3.76Å; F203-L205 PolarHBondContact O-N 3.15Å; F203-A206 HydrophobicContact CB-CB 4.18Å; F203-A206 HydrophobicContact CD1-CB 3.87Å; F203-A206 WeakPolarHBondContact O-CB 3.34Å; F203-A206 PolarHBondContact O-N 2.83Å
204	G	93.7	Very high	96.1	Very high	5 Å²	5	38.2 Å²	38.2	5%	0.052	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.1	-179.9	0	0	0	0	0	114.3	Q97 D202	Q97-G204 VanDerWaalsContact CD-O 3.24Å; Q97-G204 VanDerWaalsContact OE1-C 3.24Å; Q97-G204 PolarHBondContact OE1-O 3Å; Q97-G204 VanDerWaalsContact OE1-O 3.08Å; D202-G204 PolarHBondContact O-N 3.4Å
205	L	94.8	Very high	96.2	Very high	28 Å²	28	40.1 Å²	40.1	15%	0.147	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-99.7	1.3	175	-64	-177.2	0	0	0	114.3	F69 R178 D179 F203 T227	F69-L205 HydrophobicContact CZ-CD2 4.11Å; F69-L205 HydrophobicContact CZ-CG 4.43Å; R178-L205 PolarHBondContact NE-O 3.21Å; R178-L205 PolarHBondContact NH2-O 3.09Å; D179-L205 HydrophobicContact CB-CB 4.33Å; D179-L205 HydrophobicContact CB-CD1 3.94Å; F203-L205 PolarHBondContact O-N 3.15Å; L205-T227 HydrophobicContact CD1-CG2 4.42Å; L205-T227 HydrophobicContact CD2-CG2 4.19Å
206	A	97.5	Very high	96.5	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	23%	0.233	C	C	.	.			trans	-66.9	164	177.2	0	0	0	0	0	112.2	F104 I176 F203	F104-A206 HydrophobicContact CD2-CB 3.75Å; F104-A206 HydrophobicContact CE2-CB 3.76Å; I176-A206 CarbonylContact O-C 3.52Å; I176-A206 WeakPolarHBondContact O-CA 3.38Å; I176-A206 WeakPolarHBondContact O-CB 3.4Å; F203-A206 HydrophobicContact CB-CB 4.18Å; F203-A206 HydrophobicContact CD1-CB 3.87Å; F203-A206 WeakPolarHBondContact O-CB 3.34Å; F203-A206 PolarHBondContact O-N 2.83Å
207	K	97.1	Very high	96.6	Very high	46 Å²	46	44.9 Å²	44.9	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	143.6	-176.9	-172.8	-165.5	172.4	-167.6	0	110.8	L175 I176 Y209 E242	L175-K207 CarbonylContact C-O 3.54Å; L175-K207 WeakPolarHBondContact CA-O 3.44Å; I176-K207 HydrophobicContact CD1-CB 4.48Å; I176-K207 HydrophobicContact CD1-CD 4.49Å; I176-K207 HydrophobicContact CG1-CB 4.04Å; I176-K207 WeakPolarHBondContact CG1-O 3.38Å; I176-K207 PolarHBondContact N-O 3.29Å; I176-K207 PolarHBondContact O-N 3.37Å; K207-Y209 PolarHBondContact O-N 3.1Å; K207-E242 IonicContact NZ-OE1 2.67Å; K207-E242 PolarHBondContact NZ-OE1 3.43Å; K207-E242 IonicContact NZ-OE2 2.77Å; K207-E242 PolarHBondContact NZ-OE2 2.91Å
208	E	98	Very high	96.6	Very high	46 Å²	46	44 Å²	44	22%	0.215	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.4	167.9	-72.4	163	-174.9	0	0	109.6	R103 F104 H174 L175	R103-E208 IonicContact CZ-OE1 3.63Å; R103-E208 IonicContact NE-OE1 3.48Å; R103-E208 PolarHBondContact NE-OE1 3.19Å; R103-E208 IonicContact NH2-OE1 2.95Å; R103-E208 PolarHBondContact NH2-OE1 2.8Å; R103-E208 IonicContact NH2-OE2 3.29Å; R103-E208 PolarHBondContact NH2-OE2 3.33Å; F104-E208 HydrophobicContact CE1-CG 4.07Å; H174-E208 CarbonylContact O-C 3.44Å; H174-E208 WeakPolarHBondContact O-CA 3.44Å; L175-E208 HydrophobicContact CD2-CB 4.43Å; L175-E208 HydrophobicContact CD2-CG 3.47Å; L175-E208 VanDerWaalsContact CD2-CG 3.47Å
209	Y	98.6	Very high	96.6	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.027	24%	0.244	C	C	.	.	S	Bend	trans	-105.1	-19	178.9	82.6	-85.8	0	0	0	113.1	H171 H174 L175 I176 K207 H217 I218 R245	H171-Y209 HydrophobicContact CB-CE1 4.42Å; H171-Y209 VanDerWaalsContact O-CE1 3.23Å; H171-Y209 WeakPolarHBondContact O-CE1 3.41Å; H171-Y209 PolarHBondContact O-OH 2.72Å; H174-Y209 WeakPolarHBondContact O-CD1 3.39Å; H174-Y209 PolarHBondContact O-N 2.72Å; L175-Y209 VanDerWaalsContact C-CD1 3.49Å; L175-Y209 WeakPolarHBondContact O-CD1 3.23Å; I176-Y209 HydrophobicContact CG2-CD1 3.75Å; I176-Y209 HydrophobicContact CG2-CG 3.93Å; K207-Y209 PolarHBondContact O-N 3.1Å; Y209-H217 AromaticContact CD2-CD2 3.56Å; Y209-H217 AromaticContact CD2-NE2 3.65Å; Y209-H217 AromaticContact CE2-CD2 4Å; Y209-H217 CarbonylContact O-C 3.41Å; Y209-H217 WeakPolarHBondContact O-CA 3.47Å; Y209-I218 PolarHBondContact O-N 3.28Å; Y209-R245 HydrophobicContact CD2-CG 4.17Å; Y209-R245 HydrophobicContact CE1-CG 4.25Å; Y209-R245 HydrophobicContact CE2-CG 3.83Å; Y209-R245 PolarHBondContact OH-NH1 3.06Å; Y209-R245 VanDerWaalsContact OH-NH1 3.12Å
210	I	98.4	Very high	96.6	Very high	23 Å²	23	51.3 Å²	51.3	12%	0.118	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-96.7	126.5	157.3	-53.9	-56.8	0	0	0	106.8	H174 K216 H217	H174-I210 HydrophobicContact CB-CB 3.9Å; H174-I210 HydrophobicContact CB-CG1 4.19Å; I210-K216 WeakPolarHBondContact CA-O 3.21Å; I210-H217 HydrophobicContact CD1-CB 4.23Å
211	D	94.6	Very high	96.6	Very high	60 Å²	60	58.3 Å²	58.3	32%	0.321	29%	0.285	S	S	.	.			trans	-67.5	127.4	174.6	175.3	-90	0	0	0	110.2	E213 T214 Q215 K216	D211-E213 VanDerWaalsContact C-N 3.32Å; D211-E213 PolarHBondContact O-N 3.43Å; D211-E213 PolarHBondContact OD1-N 2.69Å; D211-T214 WeakPolarHBondContact CB-OG1 3.4Å; D211-T214 VanDerWaalsContact CG-OG1 3.3Å; D211-T214 WeakPolarHBondContact OD1-CB 3.34Å; D211-T214 WeakPolarHBondContact OD1-CG2 3.12Å; D211-T214 PolarHBondContact OD1-N 3.42Å; D211-T214 PolarHBondContact OD1-OG1 2.9Å; D211-Q215 VanDerWaalsContact O-CA 3.24Å; D211-Q215 WeakPolarHBondContact O-CA 3.5Å; D211-Q215 PolarHBondContact O-N 3.31Å; D211-K216 PolarHBondContact N-O 3.3Å
212	P	91.1	Very high	96.6	Very high	71 Å²	71	60.7 Å²	60.7	46%	0.461	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.5	-168.7	28.2	-35.2	0	0	0	114	Q215	P212-Q215 PolarHBondContact O-NE2 2.76Å
213	E	94	Very high	96.6	Very high	180 Å²	180	68 Å²	68	84%	0.841	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-46.6	-179.1	-64.1	179.4	-171.2	0	0	111.1	D211	D211-E213 VanDerWaalsContact C-N 3.32Å; D211-E213 PolarHBondContact O-N 3.43Å; D211-E213 PolarHBondContact OD1-N 2.69Å
214	T	96.5	Very high	96.6	Very high	81 Å²	81	71.3 Å²	71.3	50%	0.497	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.9	-176.2	64.3	0	0	0	0	114.1	D211 K216	D211-T214 WeakPolarHBondContact CB-OG1 3.4Å; D211-T214 VanDerWaalsContact CG-OG1 3.3Å; D211-T214 WeakPolarHBondContact OD1-CB 3.34Å; D211-T214 WeakPolarHBondContact OD1-CG2 3.12Å; D211-T214 PolarHBondContact OD1-N 3.42Å; D211-T214 PolarHBondContact OD1-OG1 2.9Å; T214-K216 PolarHBondContact O-N 3.43Å
215	Q	96.5	Very high	96.6	Very high	115 Å²	115	75.3 Å²	75.3	54%	0.537	37%	0.37	S	S	.	.			trans	54.6	27	-173.8	-60.9	-65.4	-49.9	0	0	113.7	H174 D211 P212	H174-Q215 PolarHBondContact CE1-OE1 2.8Å; D211-Q215 VanDerWaalsContact O-CA 3.24Å; D211-Q215 WeakPolarHBondContact O-CA 3.5Å; D211-Q215 PolarHBondContact O-N 3.31Å; P212-Q215 PolarHBondContact O-NE2 2.76Å
216	K	97.9	Very high	96.5	Very high	144 Å²	144	77.2 Å²	77.2	63%	0.626	38%	0.38	S	S	*	.			trans	-106.7	152.2	179.3	-72.1	170.1	-174.4	175.6	0	111.2	I210 D211 T214	I210-K216 WeakPolarHBondContact CA-O 3.21Å; D211-K216 PolarHBondContact N-O 3.3Å; T214-K216 PolarHBondContact O-N 3.43Å
217	H	98.6	Very high	96.2	Very high	33 Å²	33	78.4 Å²	78.4	15%	0.153	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-60.4	138.9	170.1	-167.8	-71.2	0	0	0	110.3	Y209 I210 F312 F313	Y209-H217 AromaticContact CD2-CD2 3.56Å; Y209-H217 AromaticContact CD2-NE2 3.65Å; Y209-H217 AromaticContact CE2-CD2 4Å; Y209-H217 CarbonylContact O-C 3.41Å; Y209-H217 WeakPolarHBondContact O-CA 3.47Å; I210-H217 HydrophobicContact CD1-CB 4.23Å; H217-F312 AromaticContact CE1-CD1 3.99Å; H217-F312 AromaticContact CE1-CE1 3.54Å; H217-F312 AromaticContact CE1-CZ 3.67Å; H217-F312 AromaticContact ND1-CE1 3.71Å; H217-F312 PolarHBondContact NE2-O 2.99Å; H217-F313 HydrophobicContact CB-CD1 3.95Å; H217-F313 AromaticContact CG-CD1 3.73Å; H217-F313 AromaticContact ND1-CD1 3.51Å; H217-F313 AromaticContact ND1-CE1 3.89Å
218	I	98.1	Very high	96	Very high	18 Å²	18	76.9 Å²	76.9	9%	0.092	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-50.8	143	175.1	52.3	169.6	0	0	0	111.2	Y209 E242 F312	Y209-I218 PolarHBondContact O-N 3.28Å; I218-E242 HydrophobicContact CD1-CG 3.98Å; I218-F312 HydrophobicContact CD1-CZ 4.39Å; I218-F312 HydrophobicContact CG1-CZ 4.2Å; I218-F312 WeakPolarHBondContact O-CE1 3.24Å
219	P	97.8	Very high	95.8	Very high	72 Å²	72	76.1 Å²	76.1	47%	0.468	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-67.1	145.9	-179.2	27.4	-35.2	0	0	0	111.5
220	Y	98.4	Very high	95.8	Very high	83 Å²	83	76.4 Å²	76.4	33%	0.325	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-62.3	136.3	171.8	-176.4	-104.2	0	0	0	110.8	E222 K241 F312	Y220-E222 HydrophobicContact CE1-CG 3.65Å; Y220-E222 PolarHBondContact OH-OE1 2.82Å; Y220-K241 HydrophobicContact CE2-CB 4.45Å; Y220-K241 WeakPolarHBondContact OH-CD 3.39Å; Y220-K241 VanDerWaalsContact OH-CE 3.22Å; Y220-K241 WeakPolarHBondContact OH-CE 3.48Å; Y220-K241 PolarHBondContact OH-NZ 3.22Å; Y220-F312 VanDerWaalsContact CA-CE1 3.46Å; Y220-F312 HydrophobicContact CD2-CB 4.05Å; Y220-F312 AromaticContact CD2-CD1 3.77Å; Y220-F312 HydrophobicContact CD2-CD1 3.77Å; Y220-F312 AromaticContact CD2-CD2 3.89Å; Y220-F312 HydrophobicContact CD2-CD2 3.89Å; Y220-F312 HydrophobicContact CD2-CE1 4.14Å; Y220-F312 HydrophobicContact CD2-CE2 4.25Å; Y220-F312 AromaticContact CD2-CG 3.63Å; Y220-F312 HydrophobicContact CD2-CG 3.63Å; Y220-F312 HydrophobicContact CD2-CZ 4.36Å; Y220-F312 HydrophobicContact CE2-CD2 4.43Å; Y220-F312 HydrophobicContact CE2-CG 4.37Å; Y220-F312 HydrophobicContact CG-CD1 4.3Å
221	R	98	Very high	95.8	Very high	146 Å²	146	76.4 Å²	76.4	55%	0.551	39%	0.385	S	S	*	.			trans	-145.8	150.5	177.2	-60.5	-176.2	-175.6	-171.9	3.2	109.7	K224 E242	R221-K224 HydrophobicContact CB-CD 4.34Å; R221-E242 HydrophobicContact CB-CB 4.25Å; R221-E242 WeakPolarHBondContact O-CB 3.47Å; R221-E242 PolarHBondContact O-N 2.8Å
222	E	97.6	Very high	96	Very high	85 Å²	85	73.6 Å²	73.6	40%	0.397	37%	0.37	S	S	.	.			trans	-113.3	-170.8	169.9	-55.6	-158.8	155.3	0	0	110.2	Y220 K224 G240 K241	Y220-E222 HydrophobicContact CE1-CG 3.65Å; Y220-E222 PolarHBondContact OH-OE1 2.82Å; E222-K224 PolarHBondContact O-N 2.81Å; E222-G240 CarbonylContact C-O 3.52Å; E222-G240 VanDerWaalsContact C-O 3.25Å; E222-G240 WeakPolarHBondContact CA-O 3.33Å; E222-K241 HydrophobicContact CG-CG 4.31Å; E222-K241 VanDerWaalsContact OE1-CE 3.23Å; E222-K241 WeakPolarHBondContact OE1-CE 3.31Å; E222-K241 IonicContact OE1-NZ 2.71Å; E222-K241 PolarHBondContact OE1-NZ 3.37Å
223	H	95.6	Very high	96.3	Very high	181 Å²	181	70.7 Å²	70.7	84%	0.838	35%	0.35	S	S	*	.	S	Bend	trans	55.9	29.1	-178.2	-45.7	-55.3	0	0	0	115	G240	H223-G240 PolarHBondContact N-O 3.41Å
224	K	96.5	Very high	96.5	Very high	70 Å²	70	62.1 Å²	62.1	30%	0.304	31%	0.31	S	S	.	.			trans	-73	144.9	174.6	-56.6	-61.1	-57.9	-161.5	0	111.5	R221 E222 G240 E242	R221-K224 HydrophobicContact CB-CD 4.34Å; E222-K224 PolarHBondContact O-N 2.81Å; K224-G240 WeakPolarHBondContact CB-O 3.47Å; K224-G240 WeakPolarHBondContact CG-O 3.29Å; K224-G240 PolarHBondContact N-O 3.14Å; K224-E242 HydrophobicContact CD-CB 4.38Å; K224-E242 WeakPolarHBondContact CE-OE1 3.47Å; K224-E242 VanDerWaalsContact CE-OE2 3.27Å; K224-E242 WeakPolarHBondContact CE-OE2 3.06Å; K224-E242 HydrophobicContact CG-CB 4.22Å; K224-E242 IonicContact NZ-OE1 2.89Å; K224-E242 PolarHBondContact NZ-OE1 3.3Å; K224-E242 IonicContact NZ-OE2 3.98Å; K224-E242 PolarHBondContact NZ-OE2 3.28Å
225	S	92.4	Very high	96.6	Very high	89 Å²	89	59.6 Å²	59.6	62%	0.622	29%	0.293	S	S	*	.			trans	-65.9	135.4	166.8	47	0	0	0	0	111.3	T227	S225-T227 PolarHBondContact O-N 2.7Å; S225-T227 VanDerWaalsContact O-N 3.13Å; S225-T227 PolarHBondContact O-OG1 2.73Å
226	L	92.7	Very high	96.7	Very high	67 Å²	67	55.5 Å²	55.5	35%	0.351	28%	0.275	S	S	.	.			trans	-63.6	115.2	-178.3	-54.9	-178.2	0	0	0	109.7	T237 Y278	L226-T237 WeakPolarHBondContact CD2-O 3.42Å; L226-Y278 HydrophobicContact CB-CD1 4.08Å; L226-Y278 HydrophobicContact CB-CE1 4.1Å; L226-Y278 HydrophobicContact CD1-CD1 3.51Å; L226-Y278 HydrophobicContact CD1-CE1 4.35Å; L226-Y278 HydrophobicContact CD1-CG 3.72Å; L226-Y278 HydrophobicContact CG-CD1 4.4Å
227	T	92.2	Very high	96.7	Very high	29 Å²	29	48.9 Å²	48.9	18%	0.178	25%	0.247	C	C	.	.			trans	-121.8	132.8	-172.6	-57.1	0	0	0	0	109.8	L205 S225 M233 Q243	L205-T227 HydrophobicContact CD1-CG2 4.42Å; L205-T227 HydrophobicContact CD2-CG2 4.19Å; S225-T227 PolarHBondContact O-N 2.7Å; S225-T227 VanDerWaalsContact O-N 3.13Å; S225-T227 PolarHBondContact O-OG1 2.73Å; T227-M233 VanDerWaalsContact O-CE 3.31Å; T227-M233 WeakPolarHBondContact O-CE 3.38Å; T227-Q243 PolarHBondContact O-NE2 3.38Å; T227-Q243 VanDerWaalsContact O-NE2 3.09Å
228	G	92.3	Very high	96.7	Very high	14 Å²	14	48.1 Å²	48.1	14%	0.144	24%	0.244	C	C	.	.	S	Bend	trans	93.5	-175.5	-177.1	0	0	0	0	0	113.8	R178 D179 A230 M233	R178-G228 WeakPolarHBondContact O-CA 3.3Å; D179-G228 WeakPolarHBondContact OD1-CA 3.49Å; G228-A230 PolarHBondContact O-N 2.8Å; G228-M233 WeakPolarHBondContact O-CE 3.45Å
229	T	95.2	Very high	96.7	Very high	30 Å²	30	50.9 Å²	50.9	18%	0.184	26%	0.258	C	S	.	.			trans	-81.1	111.3	-170.2	-62.9	0	0	0	0	113.6	D179 K181 R231 Y232 M233	D179-T229 WeakPolarHBondContact OD1-CB 3.06Å; D179-T229 PolarHBondContact OD1-N 2.82Å; D179-T229 PolarHBondContact OD1-OG1 2.83Å; K181-T229 HydrophobicContact CB-CG2 4.45Å; K181-T229 VanDerWaalsContact CD-OG1 3.3Å; K181-T229 WeakPolarHBondContact CD-OG1 3.18Å; T229-R231 HydrophobicContact CG2-CB 4.18Å; T229-R231 PolarHBondContact O-N 3.44Å; T229-Y232 HydrophobicContact CG2-CD2 3.71Å; T229-Y232 HydrophobicContact CG2-CE2 4.13Å; T229-Y232 PolarHBondContact O-N 2.82Å; T229-M233 PolarHBondContact O-N 3.31Å
230	A	97.1	Very high	96.6	Very high	13 Å²	13	47.9 Å²	47.9	11%	0.107	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-41.6	-178.3	0	0	0	0	0	115.5	G228 Y232 H238 Y278 I281 K285	G228-A230 PolarHBondContact O-N 2.8Å; A230-Y232 VanDerWaalsContact C-N 3.3Å; A230-Y232 PolarHBondContact O-N 3.38Å; A230-H238 PolarHBondContact O-NE2 3.35Å; A230-Y278 HydrophobicContact CB-CD1 3.78Å; A230-Y278 HydrophobicContact CB-CE1 3.43Å; A230-Y278 VanDerWaalsContact CB-CE1 3.43Å; A230-Y278 HydrophobicContact CB-CE2 4.23Å; A230-Y278 HydrophobicContact CB-CG 4.34Å; A230-I281 HydrophobicContact CB-CD1 4.1Å; A230-K285 PolarHBondContact O-NZ 2.73Å
231	R	98.2	Very high	96.6	Very high	24 Å²	24	46.2 Å²	46.2	9%	0.091	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.9	-178.4	-160	-169.2	-54.3	147.2	3.6	111.5	E183 T229 L264 W266 Q267 K285 C592	E183-R231 IonicContact OE1-NH1 3.14Å; T229-R231 HydrophobicContact CG2-CB 4.18Å; T229-R231 PolarHBondContact O-N 3.44Å; R231-L264 HydrophobicContact CG-CD1 4.35Å; R231-W266 PolarHBondContact O-NE1 2.99Å; R231-Q267 HydrophobicContact CG-CG 3.97Å; R231-K285 WeakPolarHBondContact O-CE 3.47Å; R231-K285 PolarHBondContact O-NZ 3.02Å; R231-C592 PolarHBondContact NH2-SG 3.05Å
232	Y	98.7	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-35.9	-170.9	-55.8	-65.3	0	0	0	113.7	V180 K181 P182 T229 A230 A251 H254 M255 Y258 L264	V180-Y232 VanDerWaalsContact O-CB 3.23Å; V180-Y232 WeakPolarHBondContact O-CB 3.34Å; V180-Y232 WeakPolarHBondContact O-CD2 3.19Å; K181-Y232 HydrophobicContact CB-CD2 3.69Å; K181-Y232 HydrophobicContact CB-CE2 3.79Å; P182-Y232 VanDerWaalsContact CD-OH 3.26Å; P182-Y232 WeakPolarHBondContact CD-OH 3.17Å; P182-Y232 HydrophobicContact CG-CE1 4.47Å; P182-Y232 HydrophobicContact CG-CE2 4.34Å; P182-Y232 WeakPolarHBondContact CG-OH 3.49Å; T229-Y232 HydrophobicContact CG2-CD2 3.71Å; T229-Y232 HydrophobicContact CG2-CE2 4.13Å; T229-Y232 PolarHBondContact O-N 2.82Å; A230-Y232 VanDerWaalsContact C-N 3.3Å; A230-Y232 PolarHBondContact O-N 3.38Å; Y232-A251 VanDerWaalsContact O-CA 3.29Å; Y232-A251 WeakPolarHBondContact O-CA 3.41Å; Y232-A251 WeakPolarHBondContact O-CB 3.49Å; Y232-H254 HydrophobicContact CD1-CB 4.49Å; Y232-H254 PolarHBondContact O-ND1 3.39Å; Y232-M255 HydrophobicContact CD1-CB 3.96Å; Y232-M255 HydrophobicContact CD1-CG 4.38Å; Y232-M255 HydrophobicContact CE1-CB 4.17Å; Y232-M255 HydrophobicContact CE1-CG 4.17Å; Y232-Y258 HydrophobicContact CE1-CD1 4.09Å; Y232-Y258 AromaticContact CE1-CG 3.97Å; Y232-Y258 HydrophobicContact CE1-CG 3.97Å; Y232-Y258 WeakPolarHBondContact OH-CD1 3.26Å; Y232-Y258 WeakPolarHBondContact OH-CE1 3.43Å; Y232-L264 HydrophobicContact CD1-CD1 4.39Å; Y232-L264 HydrophobicContact CE1-CD1 4.32Å
233	M	98.3	Very high	96.7	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.049	19%	0.194	C	C	.	.	S	Bend	trans	-46.9	150.1	-176.5	62.2	168.2	50.9	0	0	115.3	T227 G228 T229 T237 H238 Y278 K285	T227-M233 VanDerWaalsContact O-CE 3.31Å; T227-M233 WeakPolarHBondContact O-CE 3.38Å; G228-M233 WeakPolarHBondContact O-CE 3.45Å; T229-M233 PolarHBondContact O-N 3.31Å; M233-T237 HydrophobicContact CB-CG2 4.04Å; M233-T237 HydrophobicContact CE-CG2 3.71Å; M233-T237 HydrophobicContact CG-CG2 4.29Å; M233-T237 HydrophobicContact SD-CG2 3.54Å; M233-T237 VanDerWaalsContact SD-CG2 3.54Å; M233-H238 WeakPolarHBondContact CG-NE2 3.39Å; M233-H238 PolarHBondContact SD-NE2 3.13Å; M233-H238 VanDerWaalsContact SD-NE2 3.43Å; M233-Y278 HydrophobicContact CE-CE1 3.88Å; M233-Y278 HydrophobicContact SD-CD1 4.21Å; M233-Y278 HydrophobicContact SD-CE1 4.13Å; M233-K285 PolarHBondContact O-NZ 3.02Å
234	S	98.7	Very high	96.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.			trans	-58.6	163	-177.6	65.9	0	0	0	0	114.3	N236 T237 H238 D247 E250	S234-N236 VanDerWaalsContact C-N 3.28Å; S234-N236 PolarHBondContact O-N 3.1Å; S234-T237 PolarHBondContact O-N 3.22Å; S234-T237 WeakPolarHBondContact OG-CB 3.44Å; S234-T237 PolarHBondContact OG-N 3.3Å; S234-T237 PolarHBondContact OG-OG1 3.4Å; S234-H238 PolarHBondContact O-CD2 3.49Å; S234-H238 PolarHBondContact O-N 2.62Å; S234-D247 WeakPolarHBondContact CB-OD1 3.49Å; S234-D247 PolarHBondContact OG-OD1 2.61Å; S234-E250 WeakPolarHBondContact CA-OE2 3.35Å; S234-E250 WeakPolarHBondContact CB-OE2 3.43Å
235	I	98.6	Very high	97	Very high	28 Å²	28	25 Å²	25	14%	0.144	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-40.1	169.1	-73.5	174.9	0	0	0	110.4	T237 H238 L239 E250 K285 R286 R308	I235-T237 VanDerWaalsContact C-N 3.3Å; I235-T237 PolarHBondContact O-N 3.04Å; I235-H238 PolarHBondContact O-N 2.95Å; I235-L239 HydrophobicContact CG2-CD1 4.03Å; I235-L239 HydrophobicContact CG2-CG 4.44Å; I235-L239 WeakPolarHBondContact O-CG 3.47Å; I235-L239 PolarHBondContact O-N 3.3Å; I235-E250 PolarHBondContact N-OE2 3.43Å; I235-K285 HydrophobicContact CD1-CB 4.35Å; I235-K285 HydrophobicContact CG1-CB 3.94Å; I235-R286 HydrophobicContact CD1-CG 4.08Å; I235-R286 HydrophobicContact CG1-CG 4.28Å; I235-R286 HydrophobicContact CG2-CG 3.68Å; I235-R308 VanDerWaalsContact CD1-CZ 3.48Å
236	N	98.6	Very high	97.3	Very high	30 Å²	30	22 Å²	22	16%	0.16	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-36.9	178.1	-71	-50.6	0	0	0	112.3	S234 L239 G240 K241 R246 D247	S234-N236 VanDerWaalsContact C-N 3.28Å; S234-N236 PolarHBondContact O-N 3.1Å; N236-L239 PolarHBondContact O-N 2.61Å; N236-G240 PolarHBondContact O-N 3.42Å; N236-K241 HydrophobicContact CB-CB 4.29Å; N236-K241 HydrophobicContact CB-CD 4.09Å; N236-K241 WeakPolarHBondContact O-CB 3.42Å; N236-K241 PolarHBondContact O-N 3.06Å; N236-K241 VanDerWaalsContact O-N 3.1Å; N236-K241 WeakPolarHBondContact OD1-CD 3.47Å; N236-R246 PolarHBondContact ND2-NE 3.08Å; N236-D247 WeakPolarHBondContact CB-OD1 3.32Å
237	T	98.3	Very high	97.6	Very high	4 Å²	4	19 Å²	19	3%	0.025	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-46.5	174.1	-57.3	0	0	0	0	111.1	L226 M233 S234 I235 L239 G240 Q243	L226-T237 WeakPolarHBondContact CD2-O 3.42Å; M233-T237 HydrophobicContact CB-CG2 4.04Å; M233-T237 HydrophobicContact CE-CG2 3.71Å; M233-T237 HydrophobicContact CG-CG2 4.29Å; M233-T237 HydrophobicContact SD-CG2 3.54Å; M233-T237 VanDerWaalsContact SD-CG2 3.54Å; S234-T237 PolarHBondContact O-N 3.22Å; S234-T237 WeakPolarHBondContact OG-CB 3.44Å; S234-T237 PolarHBondContact OG-N 3.3Å; S234-T237 PolarHBondContact OG-OG1 3.4Å; I235-T237 VanDerWaalsContact C-N 3.3Å; I235-T237 PolarHBondContact O-N 3.04Å; T237-L239 PolarHBondContact O-N 3.49Å; T237-G240 PolarHBondContact O-N 3.25Å; T237-Q243 HydrophobicContact CG2-CG 4.41Å; T237-Q243 VanDerWaalsContact CG2-NE2 3.25Å; T237-Q243 WeakPolarHBondContact OG1-CG 3.37Å; T237-Q243 PolarHBondContact OG1-NE2 2.9Å
238	H	98	Very high	97.9	Very high	18 Å²	18	17.7 Å²	17.7	8%	0.083	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-28.5	176.2	-86.6	-77.6	0	0	0	113.2	A230 M233 S234 I235 G240 Y278	A230-H238 PolarHBondContact O-NE2 3.35Å; M233-H238 WeakPolarHBondContact CG-NE2 3.39Å; M233-H238 PolarHBondContact SD-NE2 3.13Å; M233-H238 VanDerWaalsContact SD-NE2 3.43Å; S234-H238 PolarHBondContact O-CD2 3.49Å; S234-H238 PolarHBondContact O-N 2.62Å; I235-H238 PolarHBondContact O-N 2.95Å; H238-G240 PolarHBondContact O-N 2.73Å; H238-Y278 AromaticContact CE1-CD1 3.89Å; H238-Y278 PolarHBondContact CE1-O 2.67Å; H238-Y278 PolarHBondContact ND1-O 3.43Å; H238-Y278 VanDerWaalsContact ND1-O 3.15Å
239	L	97.1	Very high	98.2	Very high	76 Å²	76	17 Å²	17	40%	0.398	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	7	172.8	-64.1	173	0	0	0	113.7	I235 N236 T237 K241	I235-L239 HydrophobicContact CG2-CD1 4.03Å; I235-L239 HydrophobicContact CG2-CG 4.44Å; I235-L239 WeakPolarHBondContact O-CG 3.47Å; I235-L239 PolarHBondContact O-N 3.3Å; N236-L239 PolarHBondContact O-N 2.61Å; T237-L239 PolarHBondContact O-N 3.49Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 HydrophobicContact CB-CD 4.26Å; L239-K241 HydrophobicContact CB-CG 4.19Å; L239-K241 PolarHBondContact O-N 2.88Å
240	G	97.3	Very high	98.4	Very high	8 Å²	8	15.8 Å²	15.8	8%	0.082	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	25.5	179.4	0	0	0	0	0	113.7	E222 H223 K224 N236 T237 H238	E222-G240 CarbonylContact C-O 3.52Å; E222-G240 VanDerWaalsContact C-O 3.25Å; E222-G240 WeakPolarHBondContact CA-O 3.33Å; H223-G240 PolarHBondContact N-O 3.41Å; K224-G240 WeakPolarHBondContact CB-O 3.47Å; K224-G240 WeakPolarHBondContact CG-O 3.29Å; K224-G240 PolarHBondContact N-O 3.14Å; N236-G240 PolarHBondContact O-N 3.42Å; T237-G240 PolarHBondContact O-N 3.25Å; H238-G240 PolarHBondContact O-N 2.73Å
241	K	98.3	Very high	98.5	Very high	48 Å²	48	15.4 Å²	15.4	21%	0.209	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-84.6	151.4	177.4	-59	178.2	170.1	-137.6	0	110.6	Y220 E222 N236 L239 Q243	Y220-K241 HydrophobicContact CE2-CB 4.45Å; Y220-K241 WeakPolarHBondContact OH-CD 3.39Å; Y220-K241 VanDerWaalsContact OH-CE 3.22Å; Y220-K241 WeakPolarHBondContact OH-CE 3.48Å; Y220-K241 PolarHBondContact OH-NZ 3.22Å; E222-K241 HydrophobicContact CG-CG 4.31Å; E222-K241 VanDerWaalsContact OE1-CE 3.23Å; E222-K241 WeakPolarHBondContact OE1-CE 3.31Å; E222-K241 IonicContact OE1-NZ 2.71Å; E222-K241 PolarHBondContact OE1-NZ 3.37Å; N236-K241 HydrophobicContact CB-CB 4.29Å; N236-K241 HydrophobicContact CB-CD 4.09Å; N236-K241 WeakPolarHBondContact O-CB 3.42Å; N236-K241 PolarHBondContact O-N 3.06Å; N236-K241 VanDerWaalsContact O-N 3.1Å; N236-K241 WeakPolarHBondContact OD1-CD 3.47Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 HydrophobicContact CB-CD 4.26Å; L239-K241 HydrophobicContact CB-CG 4.19Å; L239-K241 PolarHBondContact O-N 2.88Å; K241-Q243 PolarHBondContact O-N 3.2Å
242	E	98.5	Very high	98.5	Very high	9 Å²	9	14.3 Å²	14.3	4%	0.042	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-60.7	134.2	169.2	-168	76.7	-107.1	0	0	108.9	K207 I218 R221 K224 F312	K207-E242 IonicContact NZ-OE1 2.67Å; K207-E242 PolarHBondContact NZ-OE1 3.43Å; K207-E242 IonicContact NZ-OE2 2.77Å; K207-E242 PolarHBondContact NZ-OE2 2.91Å; I218-E242 HydrophobicContact CD1-CG 3.98Å; R221-E242 HydrophobicContact CB-CB 4.25Å; R221-E242 WeakPolarHBondContact O-CB 3.47Å; R221-E242 PolarHBondContact O-N 2.8Å; K224-E242 HydrophobicContact CD-CB 4.38Å; K224-E242 WeakPolarHBondContact CE-OE1 3.47Å; K224-E242 VanDerWaalsContact CE-OE2 3.27Å; K224-E242 WeakPolarHBondContact CE-OE2 3.06Å; K224-E242 HydrophobicContact CG-CB 4.22Å; K224-E242 IonicContact NZ-OE1 2.89Å; K224-E242 PolarHBondContact NZ-OE1 3.3Å; K224-E242 IonicContact NZ-OE2 3.98Å; K224-E242 PolarHBondContact NZ-OE2 3.28Å; E242-F312 HydrophobicContact CB-CE2 4.1Å; E242-F312 HydrophobicContact CB-CZ 4.21Å; E242-F312 HydrophobicContact CG-CE2 4.32Å; E242-F312 HydrophobicContact CG-CZ 4.19Å; E242-F312 VanDerWaalsContact O-CE2 3.23Å; E242-F312 WeakPolarHBondContact O-CE2 3.36Å
243	Q	98.7	Very high	98.5	Very high	12 Å²	12	14.3 Å²	14.3	6%	0.056	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-82	145.2	-179	-65.5	178.1	30.8	0	0	110.4	I176 R178 T227 T237 K241 D247	I176-Q243 HydrophobicContact CD1-CB 4.22Å; I176-Q243 WeakPolarHBondContact CD1-O 3.14Å; R178-Q243 HydrophobicContact CG-CB 4.41Å; T227-Q243 PolarHBondContact O-NE2 3.38Å; T227-Q243 VanDerWaalsContact O-NE2 3.09Å; T237-Q243 HydrophobicContact CG2-CG 4.41Å; T237-Q243 VanDerWaalsContact CG2-NE2 3.25Å; T237-Q243 WeakPolarHBondContact OG1-CG 3.37Å; T237-Q243 PolarHBondContact OG1-NE2 2.9Å; K241-Q243 PolarHBondContact O-N 3.2Å; Q243-D247 WeakPolarHBondContact CA-OD2 3.42Å; Q243-D247 HydrophobicContact CB-CB 4.14Å; Q243-D247 HydrophobicContact CG-CB 4.24Å
244	S	98.8	Very high	98.6	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.007	7%	0.069	C	C	.	.			trans	-136.8	-168.3	168.1	75.9	0	0	0	0	111.1	R246 D247 F312	S244-R246 PolarHBondContact O-N 2.94Å; S244-D247 PolarHBondContact N-OD2 2.71Å; S244-D247 WeakPolarHBondContact O-CB 3.32Å; S244-D247 PolarHBondContact O-N 3.25Å; S244-F312 WeakPolarHBondContact CB-O 3.42Å; S244-F312 PolarHBondContact OG-O 3.44Å
245	R	98.9	Very high	98.6	Very high	16 Å²	16	13.8 Å²	13.8	6%	0.06	7%	0.069	C	C	.	.	H	α-helix	trans	-51	-32.6	-175	-63.5	-176.7	-81	-157.3	6.9	114.3	H171 I176 Y209 D247 L249 F313 E314 E315 P316	H171-R245 HydrophobicContact CB-CG 4.4Å; H171-R245 PolarHBondContact CE1-O 3.4Å; H171-R245 VanDerWaalsContact CE1-O 3.29Å; I176-R245 HydrophobicContact CG2-CG 4.24Å; Y209-R245 HydrophobicContact CD2-CG 4.17Å; Y209-R245 HydrophobicContact CE1-CG 4.25Å; Y209-R245 HydrophobicContact CE2-CG 3.83Å; Y209-R245 PolarHBondContact OH-NH1 3.06Å; Y209-R245 VanDerWaalsContact OH-NH1 3.12Å; R245-D247 VanDerWaalsContact C-N 3.32Å; R245-D247 PolarHBondContact O-N 2.94Å; R245-L249 WeakPolarHBondContact O-CG 3.48Å; R245-F313 PolarHBondContact NH2-O 3.42Å; R245-E314 PolarHBondContact NE-O 2.9Å; R245-E314 VanDerWaalsContact NE-O 3.11Å; R245-E314 VanDerWaalsContact NH2-C 3.28Å; R245-E314 PolarHBondContact NH2-O 3.38Å; R245-E315 IonicContact CZ-OE2 3.44Å; R245-E315 IonicContact NH1-OE2 3.38Å; R245-E315 PolarHBondContact NH1-OE2 2.93Å; R245-E315 IonicContact NH2-OE2 3.05Å; R245-P316 HydrophobicContact CB-CG 3.95Å
246	R	98.8	Very high	98.6	Very high	25 Å²	25	12.5 Å²	12.5	9%	0.094	6%	0.062	C	C	.	.	H	α-helix	trans	-67.5	-30	178.9	67.8	-177.6	178.1	-176.4	-6.1	113.5	N236 S244 L249 E250 L310 D311 F312	N236-R246 PolarHBondContact ND2-NE 3.08Å; S244-R246 PolarHBondContact O-N 2.94Å; R246-L249 PolarHBondContact O-N 3.19Å; R246-E250 PolarHBondContact O-N 3.12Å; R246-L310 HydrophobicContact CB-CB 3.67Å; R246-L310 HydrophobicContact CB-CD1 3.61Å; R246-L310 HydrophobicContact CB-CG 4.3Å; R246-L310 WeakPolarHBondContact CD-O 3.35Å; R246-L310 PolarHBondContact NH1-O 3.39Å; R246-D311 VanDerWaalsContact NH1-C 3.34Å; R246-F312 VanDerWaalsContact NH1-N 3.13Å
247	D	98.9	Very high	98.6	Very high	4 Å²	4	11 Å²	11	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-76	-36.2	-170.5	-64	-75.9	0	0	0	111.9	S234 N236 Q243 S244 R245 L249 A251	S234-D247 WeakPolarHBondContact CB-OD1 3.49Å; S234-D247 PolarHBondContact OG-OD1 2.61Å; N236-D247 WeakPolarHBondContact CB-OD1 3.32Å; Q243-D247 WeakPolarHBondContact CA-OD2 3.42Å; Q243-D247 HydrophobicContact CB-CB 4.14Å; Q243-D247 HydrophobicContact CG-CB 4.24Å; S244-D247 PolarHBondContact N-OD2 2.71Å; S244-D247 WeakPolarHBondContact O-CB 3.32Å; S244-D247 PolarHBondContact O-N 3.25Å; R245-D247 VanDerWaalsContact C-N 3.32Å; R245-D247 PolarHBondContact O-N 2.94Å; D247-L249 VanDerWaalsContact C-N 3.3Å; D247-A251 WeakPolarHBondContact O-CB 3.41Å; D247-A251 PolarHBondContact O-N 3.14Å
248	D	98.9	Very high	98.6	Very high	2 Å²	2	11 Å²	11	1%	0.011	5%	0.054	C	C	.	.	H	α-helix	trans	-63.7	-35.1	168.9	-79.3	-48.3	0	0	0	111.9	I167 H171 Y177 R178 V180 A251 L252	I167-D248 HydrophobicContact CG2-CB 4.17Å; H171-D248 IonicContact NE2-OD2 3.47Å; Y177-D248 PolarHBondContact N-OD2 3Å; R178-D248 WeakPolarHBondContact CA-OD1 3.42Å; R178-D248 PolarHBondContact N-OD1 3.31Å; R178-D248 PolarHBondContact N-OD2 2.93Å; V180-D248 HydrophobicContact CG2-CB 4.25Å; V180-D248 WeakPolarHBondContact CG2-OD1 3.49Å; D248-A251 PolarHBondContact O-N 3.49Å; D248-L252 PolarHBondContact O-N 3.43Å
249	L	98.9	Very high	98.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-74.8	-40.7	177.5	-62.2	179.8	0	0	0	112.7	L164 I167 R245 R246 D247 A251 L252 G253 Y303 V307 L310 P316 Y318 L321	L164-L249 HydrophobicContact CD2-CD2 3.85Å; I167-L249 HydrophobicContact CG2-CD2 4.01Å; R245-L249 WeakPolarHBondContact O-CG 3.48Å; R246-L249 PolarHBondContact O-N 3.19Å; D247-L249 VanDerWaalsContact C-N 3.3Å; L249-A251 PolarHBondContact O-N 2.9Å; L249-L252 HydrophobicContact CD2-CD1 4.19Å; L249-L252 PolarHBondContact O-N 2.89Å; L249-G253 PolarHBondContact O-N 2.99Å; L249-Y303 WeakPolarHBondContact O-CE1 3.38Å; L249-Y303 PolarHBondContact O-OH 2.78Å; L249-V307 HydrophobicContact CB-CB 4.06Å; L249-V307 HydrophobicContact CB-CG1 3.72Å; L249-V307 HydrophobicContact CD1-CG1 4.45Å; L249-L310 HydrophobicContact CD1-CD1 4.31Å; L249-P316 HydrophobicContact CD1-CB 3.35Å; L249-P316 HydrophobicContact CD1-CG 3.47Å; L249-P316 VanDerWaalsContact CD1-CG 3.47Å; L249-Y318 HydrophobicContact CD1-CD1 4.5Å; L249-Y318 HydrophobicContact CD1-CE1 4.17Å; L249-Y318 HydrophobicContact CD2-CE1 4.46Å; L249-L321 HydrophobicContact CD1-CD1 4.05Å
250	E	98.9	Very high	98.7	Very high	4 Å²	4	6.5 Å²	6.5	2%	0.019	3%	0.031	C	C	.	.	H	α-helix	trans	-61.2	-38.6	171.1	-159.5	-164.5	159	0	0	110.8	S234 I235 R246 G253 H254 L304 V307 R308	S234-E250 WeakPolarHBondContact CA-OE2 3.35Å; S234-E250 WeakPolarHBondContact CB-OE2 3.43Å; I235-E250 PolarHBondContact N-OE2 3.43Å; R246-E250 PolarHBondContact O-N 3.12Å; E250-G253 PolarHBondContact O-N 3.06Å; E250-H254 PolarHBondContact O-N 3.25Å; E250-H254 PolarHBondContact O-ND1 3.38Å; E250-H254 IonicContact OE1-CE1 2.68Å; E250-H254 PolarHBondContact OE1-CE1 2.77Å; E250-H254 IonicContact OE1-NE2 3.69Å; E250-H254 PolarHBondContact OE1-NE2 2.95Å; E250-L304 HydrophobicContact CG-CD2 4.18Å; E250-V307 HydrophobicContact CB-CG2 4.13Å; E250-V307 HydrophobicContact CG-CG2 4.27Å; E250-R308 HydrophobicContact CG-CG 3.97Å; E250-R308 IonicContact OE1-CZ 3.23Å; E250-R308 IonicContact OE1-NE 2.61Å; E250-R308 PolarHBondContact OE1-NE 2.94Å; E250-R308 IonicContact OE1-NH2 3.75Å; E250-R308 PolarHBondContact OE1-NH2 3.14Å
251	A	98.9	Very high	98.7	Very high	5 Å²	5	11 Å²	11	4%	0.041	5%	0.046	C	C	.	.	H	α-helix	trans	-67.3	-37.1	176.8	0	0	0	0	0	113.4	V180 Y232 D247 D248 L249 H254 M255	V180-A251 HydrophobicContact CB-CB 3.73Å; V180-A251 HydrophobicContact CG1-CB 4.1Å; V180-A251 HydrophobicContact CG2-CB 4.19Å; Y232-A251 VanDerWaalsContact O-CA 3.29Å; Y232-A251 WeakPolarHBondContact O-CA 3.41Å; Y232-A251 WeakPolarHBondContact O-CB 3.49Å; D247-A251 WeakPolarHBondContact O-CB 3.41Å; D247-A251 PolarHBondContact O-N 3.14Å; D248-A251 PolarHBondContact O-N 3.49Å; L249-A251 PolarHBondContact O-N 2.9Å; A251-H254 PolarHBondContact O-N 3.38Å; A251-M255 WeakPolarHBondContact O-CB 3.31Å; A251-M255 PolarHBondContact O-N 3.33Å
252	L	98.9	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.7	-45.8	168.5	-83.2	-175.8	0	0	0	111.2	L163 L164 I167 V180 F185 D248 L249 H254 M255 F256	L163-L252 HydrophobicContact CB-CD1 4.39Å; L163-L252 HydrophobicContact CB-CD2 3.96Å; L163-L252 HydrophobicContact CD1-CD2 3.9Å; L164-L252 HydrophobicContact CD2-CD1 4.43Å; I167-L252 HydrophobicContact CB-CD1 4.4Å; I167-L252 HydrophobicContact CG1-CD1 3.89Å; I167-L252 HydrophobicContact CG1-CG 4.48Å; V180-L252 HydrophobicContact CG1-CD2 3.73Å; V180-L252 HydrophobicContact CG1-CG 4.08Å; F185-L252 HydrophobicContact CZ-CD2 4.39Å; D248-L252 PolarHBondContact O-N 3.43Å; L249-L252 HydrophobicContact CD2-CD1 4.19Å; L249-L252 PolarHBondContact O-N 2.89Å; L252-H254 PolarHBondContact O-N 3.12Å; L252-M255 HydrophobicContact CD2-CE 3.67Å; L252-M255 CarbonylContact O-C 3.41Å; L252-M255 WeakPolarHBondContact O-CA 3.42Å; L252-M255 WeakPolarHBondContact O-CB 3.41Å; L252-M255 PolarHBondContact O-N 3.28Å; L252-F256 HydrophobicContact CB-CE1 4.4Å; L252-F256 HydrophobicContact CB-CE2 3.91Å; L252-F256 HydrophobicContact CB-CZ 3.74Å; L252-F256 HydrophobicContact CD1-CZ 4.17Å; L252-F256 HydrophobicContact CD2-CE1 4.13Å; L252-F256 HydrophobicContact CD2-CZ 4.02Å; L252-F256 HydrophobicContact CG-CZ 4.21Å; L252-F256 WeakPolarHBondContact O-CD1 3.31Å; L252-F256 VanDerWaalsContact O-CD2 3.31Å; L252-F256 WeakPolarHBondContact O-CD2 3.5Å; L252-F256 WeakPolarHBondContact O-CG 3.32Å; L252-F256 PolarHBondContact O-N 3.22Å
253	G	98.9	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57	-47.6	177	0	0	0	0	0	112.9	L249 E250 M255 F256 L257 Y303	L249-G253 PolarHBondContact O-N 2.99Å; E250-G253 PolarHBondContact O-N 3.06Å; G253-M255 VanDerWaalsContact C-N 3.29Å; G253-M255 PolarHBondContact O-N 3.18Å; G253-F256 PolarHBondContact O-N 3.23Å; G253-L257 WeakPolarHBondContact O-CD1 3.42Å; G253-L257 PolarHBondContact O-N 3.1Å; G253-L257 VanDerWaalsContact O-N 3.16Å; G253-Y303 VanDerWaalsContact CA-CE1 3.5Å
254	H	98.9	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.4	-38.1	172.8	-67.5	141.6	0	0	0	112.6	Y232 E250 A251 L252 Y258 L264 W266 R308	Y232-H254 HydrophobicContact CD1-CB 4.49Å; Y232-H254 PolarHBondContact O-ND1 3.39Å; E250-H254 PolarHBondContact O-N 3.25Å; E250-H254 PolarHBondContact O-ND1 3.38Å; E250-H254 IonicContact OE1-CE1 2.68Å; E250-H254 PolarHBondContact OE1-CE1 2.77Å; E250-H254 IonicContact OE1-NE2 3.69Å; E250-H254 PolarHBondContact OE1-NE2 2.95Å; A251-H254 PolarHBondContact O-N 3.38Å; L252-H254 PolarHBondContact O-N 3.12Å; H254-Y258 WeakPolarHBondContact O-CB 3.45Å; H254-Y258 PolarHBondContact O-N 3.39Å; H254-L264 HydrophobicContact CB-CD1 4.45Å; H254-W266 HydrophobicContact CB-CZ2 4.41Å; H254-W266 AromaticContact CD2-CH2 3.52Å; H254-W266 AromaticContact CD2-CZ2 3.48Å; H254-W266 VanDerWaalsContact CD2-CZ2 3.48Å; H254-W266 WeakPolarHBondContact CD2-CZ2 3.41Å; H254-W266 AromaticContact CG-CZ2 3.96Å; H254-W266 AromaticContact NE2-CH2 3.74Å; H254-W266 AromaticContact NE2-CZ2 3.87Å; H254-R308 PolarHBondContact NE2-NH2 3.25Å
255	M	98.8	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-70.5	-38.3	178.8	-169.8	178.9	71.3	0	0	113	L163 V180 P182 F185 Y232 A251 L252 G253 L257 Y258 F259	L163-M255 HydrophobicContact CD1-CE 3.36Å; V180-M255 HydrophobicContact CG1-CE 4.29Å; V180-M255 HydrophobicContact CG1-SD 4.15Å; P182-M255 HydrophobicContact CB-SD 4.44Å; P182-M255 VanDerWaalsContact CD-SD 3.54Å; P182-M255 HydrophobicContact CG-CG 3.7Å; P182-M255 HydrophobicContact CG-SD 3.76Å; P182-M255 VanDerWaalsContact N-SD 3.43Å; F185-M255 HydrophobicContact CD2-CE 3.71Å; F185-M255 HydrophobicContact CD2-SD 3.8Å; F185-M255 HydrophobicContact CE2-CE 3.59Å; F185-M255 HydrophobicContact CE2-SD 3.74Å; F185-M255 HydrophobicContact CZ-CE 4.5Å; Y232-M255 HydrophobicContact CD1-CB 3.96Å; Y232-M255 HydrophobicContact CD1-CG 4.38Å; Y232-M255 HydrophobicContact CE1-CB 4.17Å; Y232-M255 HydrophobicContact CE1-CG 4.17Å; A251-M255 WeakPolarHBondContact O-CB 3.31Å; A251-M255 PolarHBondContact O-N 3.33Å; L252-M255 HydrophobicContact CD2-CE 3.67Å; L252-M255 CarbonylContact O-C 3.41Å; L252-M255 WeakPolarHBondContact O-CA 3.42Å; L252-M255 WeakPolarHBondContact O-CB 3.41Å; L252-M255 PolarHBondContact O-N 3.28Å; G253-M255 VanDerWaalsContact C-N 3.29Å; G253-M255 PolarHBondContact O-N 3.18Å; M255-L257 VanDerWaalsContact C-N 3.34Å; M255-L257 PolarHBondContact O-N 2.97Å; M255-Y258 WeakPolarHBondContact O-CB 3.27Å; M255-Y258 PolarHBondContact O-N 3.23Å; M255-F259 HydrophobicContact CE-CE2 4.09Å; M255-F259 HydrophobicContact CG-CD2 4.39Å; M255-F259 HydrophobicContact CG-CE2 3.78Å; M255-F259 HydrophobicContact CG-CZ 3.97Å; M255-F259 VanDerWaalsContact O-CD2 3.31Å; M255-F259 WeakPolarHBondContact O-CD2 3.38Å; M255-F259 WeakPolarHBondContact O-CG 3.45Å; M255-F259 PolarHBondContact O-N 3.45Å; M255-F259 VanDerWaalsContact O-N 3.1Å; M255-F259 HydrophobicContact SD-CE2 4.25Å; M255-F259 HydrophobicContact SD-CZ 4.26Å
256	F	98.8	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-42.8	174.2	-55.4	-32	0	0	0	111.4	V156 I159 A160 L163 L252 G253 F259 L260 M300 Y303 F325	V156-F256 HydrophobicContact CG1-CB 3.82Å; V156-F256 HydrophobicContact CG1-CD1 4.44Å; V156-F256 HydrophobicContact CG1-CG 4.37Å; I159-F256 HydrophobicContact CG2-CE1 4.48Å; A160-F256 HydrophobicContact CB-CD1 4.09Å; A160-F256 HydrophobicContact CB-CD2 4.12Å; A160-F256 HydrophobicContact CB-CE1 3.63Å; A160-F256 HydrophobicContact CB-CE2 3.67Å; A160-F256 HydrophobicContact CB-CG 4.33Å; A160-F256 HydrophobicContact CB-CZ 3.4Å; A160-F256 VanDerWaalsContact CB-CZ 3.4Å; L163-F256 HydrophobicContact CD1-CE1 4.45Å; L252-F256 HydrophobicContact CB-CE1 4.4Å; L252-F256 HydrophobicContact CB-CE2 3.91Å; L252-F256 HydrophobicContact CB-CZ 3.74Å; L252-F256 HydrophobicContact CD1-CZ 4.17Å; L252-F256 HydrophobicContact CD2-CE1 4.13Å; L252-F256 HydrophobicContact CD2-CZ 4.02Å; L252-F256 HydrophobicContact CG-CZ 4.21Å; L252-F256 WeakPolarHBondContact O-CD1 3.31Å; L252-F256 VanDerWaalsContact O-CD2 3.31Å; L252-F256 WeakPolarHBondContact O-CD2 3.5Å; L252-F256 WeakPolarHBondContact O-CG 3.32Å; L252-F256 PolarHBondContact O-N 3.22Å; G253-F256 PolarHBondContact O-N 3.23Å; F256-F259 PolarHBondContact O-N 3Å; F256-L260 WeakPolarHBondContact O-CG 3.43Å; F256-L260 PolarHBondContact O-N 3.34Å; F256-M300 HydrophobicContact CB-CE 4.12Å; F256-M300 HydrophobicContact CB-SD 3.91Å; F256-M300 HydrophobicContact CD2-SD 4.21Å; F256-M300 HydrophobicContact CG-SD 4.5Å; F256-Y303 HydrophobicContact CE2-CE1 4.33Å; F256-Y303 HydrophobicContact CE2-CE2 4.16Å; F256-Y303 AromaticContact CE2-CZ 3.91Å; F256-F325 HydrophobicContact CD2-CZ 4.34Å; F256-F325 HydrophobicContact CE2-CE2 4.21Å; F256-F325 HydrophobicContact CE2-CZ 4.36Å
257	L	98.7	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.3	-35.5	176.7	-73.6	156.3	0	0	0	112.7	G253 M255 F259 L260 R261 L264 L293 C294 M300 L304	G253-L257 WeakPolarHBondContact O-CD1 3.42Å; G253-L257 PolarHBondContact O-N 3.1Å; G253-L257 VanDerWaalsContact O-N 3.16Å; M255-L257 VanDerWaalsContact C-N 3.34Å; M255-L257 PolarHBondContact O-N 2.97Å; L257-F259 VanDerWaalsContact C-N 3.35Å; L257-L260 PolarHBondContact O-N 3.45Å; L257-R261 VanDerWaalsContact O-CB 3.26Å; L257-R261 WeakPolarHBondContact O-CB 3.34Å; L257-R261 VanDerWaalsContact O-CG 3.29Å; L257-R261 WeakPolarHBondContact O-CG 3.3Å; L257-R261 PolarHBondContact O-N 3.08Å; L257-L264 HydrophobicContact CB-CD2 4.01Å; L257-L293 HydrophobicContact CD1-CD2 3.96Å; L257-L293 HydrophobicContact CD1-CG 4.02Å; L257-C294 HydrophobicContact CD2-CB 4.36Å; L257-M300 HydrophobicContact CD2-CB 4.05Å; L257-M300 HydrophobicContact CG-CB 4.44Å; L257-L304 HydrophobicContact CD1-CD1 3.42Å; L257-L304 VanDerWaalsContact CD1-CD1 3.42Å; L257-L304 HydrophobicContact CD1-CG 4.13Å
258	Y	98.7	Very high	98.2	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-58.2	-45.5	170.5	169.1	-104	0	0	0	111.8	E141 F144 R149 P182 Y232 H254 M255 R261 G262 L264	E141-Y258 PolarHBondContact OE1-OH 3.38Å; E141-Y258 WeakPolarHBondContact OE2-CE1 3.33Å; E141-Y258 PolarHBondContact OE2-OH 3.15Å; F144-Y258 AromaticContact CD1-CE1 3.83Å; F144-Y258 HydrophobicContact CD1-CE1 3.83Å; F144-Y258 HydrophobicContact CE1-CD1 4.16Å; F144-Y258 AromaticContact CE1-CE1 3.51Å; F144-Y258 HydrophobicContact CE1-CE1 3.51Å; F144-Y258 HydrophobicContact CE1-CE2 4.2Å; F144-Y258 AromaticContact CE1-CZ 3.56Å; F144-Y258 HydrophobicContact CZ-CD1 4.45Å; F144-Y258 HydrophobicContact CZ-CE1 4.23Å; F144-Y258 WeakPolarHBondContact CZ-O 3.29Å; R149-Y258 PolarHBondContact NH2-OH 3.24Å; P182-Y258 HydrophobicContact CG-CD1 4.06Å; P182-Y258 HydrophobicContact CG-CE1 3.88Å; Y232-Y258 HydrophobicContact CE1-CD1 4.09Å; Y232-Y258 AromaticContact CE1-CG 3.97Å; Y232-Y258 HydrophobicContact CE1-CG 3.97Å; Y232-Y258 WeakPolarHBondContact OH-CD1 3.26Å; Y232-Y258 WeakPolarHBondContact OH-CE1 3.43Å; H254-Y258 WeakPolarHBondContact O-CB 3.45Å; H254-Y258 PolarHBondContact O-N 3.39Å; M255-Y258 WeakPolarHBondContact O-CB 3.27Å; M255-Y258 PolarHBondContact O-N 3.23Å; Y258-R261 PolarHBondContact O-N 2.92Å; Y258-G262 PolarHBondContact O-N 2.93Å; Y258-L264 HydrophobicContact CD2-CG 4.47Å
259	F	98.7	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.4	-37.8	177.1	-66.2	-42	0	0	0	113.7	L140 F144 F151 V156 I159 P182 M255 F256 L257	L140-F259 HydrophobicContact CB-CE1 4.25Å; L140-F259 HydrophobicContact CB-CZ 3.74Å; L140-F259 HydrophobicContact CD1-CE2 4.03Å; L140-F259 HydrophobicContact CD1-CZ 3.85Å; L140-F259 HydrophobicContact CG-CZ 4.43Å; F144-F259 HydrophobicContact CB-CD1 4.49Å; F144-F259 HydrophobicContact CB-CE1 4.42Å; F144-F259 HydrophobicContact CD1-CD1 4.47Å; F144-F259 AromaticContact CD2-CD1 3.79Å; F144-F259 HydrophobicContact CD2-CD1 3.79Å; F144-F259 HydrophobicContact CE2-CB 4.28Å; F144-F259 AromaticContact CE2-CD1 3.94Å; F144-F259 HydrophobicContact CE2-CD1 3.94Å; F144-F259 WeakPolarHBondContact CE2-O 3.41Å; F144-F259 HydrophobicContact CG-CD1 4.06Å; F144-F259 HydrophobicContact CG-CE1 4.38Å; F144-F259 HydrophobicContact CZ-CD1 4.31Å; F151-F259 HydrophobicContact CB-CB 4.34Å; F151-F259 HydrophobicContact CD2-CB 3.78Å; F151-F259 AromaticContact CD2-CD1 3.72Å; F151-F259 HydrophobicContact CD2-CD1 3.72Å; F151-F259 HydrophobicContact CD2-CD2 4.23Å; F151-F259 HydrophobicContact CD2-CE1 4.33Å; F151-F259 AromaticContact CD2-CG 3.67Å; F151-F259 HydrophobicContact CD2-CG 3.67Å; F151-F259 AromaticContact CE2-CD1 3.7Å; F151-F259 HydrophobicContact CE2-CD1 3.7Å; F151-F259 HydrophobicContact CE2-CD2 4.5Å; F151-F259 AromaticContact CE2-CE1 3.87Å; F151-F259 HydrophobicContact CE2-CE1 3.87Å; F151-F259 HydrophobicContact CE2-CG 4.05Å; F151-F259 HydrophobicContact CE2-CZ 4.35Å; F151-F259 HydrophobicContact CG-CB 4.46Å; F151-F259 PolarHBondContact N-O 3.39Å; V156-F259 HydrophobicContact CG2-CB 3.68Å; I159-F259 HydrophobicContact CD1-CD2 4.49Å; I159-F259 HydrophobicContact CD1-CE2 4.5Å; I159-F259 HydrophobicContact CG2-CE2 4.32Å; P182-F259 HydrophobicContact CB-CE1 3.84Å; P182-F259 HydrophobicContact CB-CZ 3.75Å; P182-F259 HydrophobicContact CG-CE1 3.71Å; P182-F259 HydrophobicContact CG-CZ 3.65Å; M255-F259 HydrophobicContact CE-CE2 4.09Å; M255-F259 HydrophobicContact CG-CD2 4.39Å; M255-F259 HydrophobicContact CG-CE2 3.78Å; M255-F259 HydrophobicContact CG-CZ 3.97Å; M255-F259 VanDerWaalsContact O-CD2 3.31Å; M255-F259 WeakPolarHBondContact O-CD2 3.38Å; M255-F259 WeakPolarHBondContact O-CG 3.45Å; M255-F259 PolarHBondContact O-N 3.45Å; M255-F259 VanDerWaalsContact O-N 3.1Å; M255-F259 HydrophobicContact SD-CE2 4.25Å; M255-F259 HydrophobicContact SD-CZ 4.26Å; F256-F259 PolarHBondContact O-N 3Å; L257-F259 VanDerWaalsContact C-N 3.35Å
260	L	98.4	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-71.1	-37.1	177.9	-68.9	169.5	0	0	0	112.7	Q150 L153 V156 F256 L257 Y297 M300	Q150-L260 PolarHBondContact NE2-O 2.93Å; L153-L260 HydrophobicContact CB-CD2 4.3Å; L153-L260 HydrophobicContact CD1-CD1 4.35Å; L153-L260 HydrophobicContact CD1-CD2 3.84Å; V156-L260 HydrophobicContact CB-CD2 3.94Å; V156-L260 HydrophobicContact CB-CG 4.26Å; V156-L260 HydrophobicContact CG1-CD1 4.38Å; V156-L260 HydrophobicContact CG1-CD2 4.28Å; V156-L260 HydrophobicContact CG1-CG 4.08Å; V156-L260 HydrophobicContact CG2-CD2 3.75Å; V156-L260 HydrophobicContact CG2-CG 4.02Å; F256-L260 WeakPolarHBondContact O-CG 3.43Å; F256-L260 PolarHBondContact O-N 3.34Å; L257-L260 PolarHBondContact O-N 3.45Å; L260-Y297 HydrophobicContact CB-CE1 4.32Å; L260-Y297 HydrophobicContact CB-CE2 4.01Å; L260-Y297 HydrophobicContact CD1-CD1 3.84Å; L260-Y297 HydrophobicContact CD1-CD2 4.2Å; L260-Y297 HydrophobicContact CD1-CE1 4.1Å; L260-Y297 HydrophobicContact CD1-CE2 4.44Å; L260-Y297 HydrophobicContact CD1-CG 3.88Å; L260-Y297 HydrophobicContact CD2-CD1 4.28Å; L260-Y297 HydrophobicContact CD2-CE1 3.84Å; L260-Y297 HydrophobicContact CG-CE1 4.31Å; L260-M300 HydrophobicContact CD1-CE 4.26Å; L260-M300 HydrophobicContact CD1-CG 3.9Å
261	R	97.5	Very high	97.6	Very high	102 Å²	102	29.7 Å²	29.7	39%	0.385	17%	0.167	S	C	.	.	H	α-helix	trans	-102.4	-9.8	-169	-60.8	-175.8	68.3	99.1	15.1	115	L257 Y258 S263 L293 Y297	L257-R261 VanDerWaalsContact O-CB 3.26Å; L257-R261 WeakPolarHBondContact O-CB 3.34Å; L257-R261 VanDerWaalsContact O-CG 3.29Å; L257-R261 WeakPolarHBondContact O-CG 3.3Å; L257-R261 PolarHBondContact O-N 3.08Å; Y258-R261 PolarHBondContact O-N 2.92Å; R261-S263 WeakPolarHBondContact CB-O 3.23Å; R261-S263 PolarHBondContact O-N 2.75Å; R261-L293 PolarHBondContact NH1-O 2.88Å; R261-Y297 HydrophobicContact CG-CE2 4.49Å
262	G	97.8	Very high	97.5	Very high	16 Å²	16	38.1 Å²	38.1	17%	0.165	21%	0.205	C	C	.	.	S	Bend	trans	77.6	-27.6	-173.4	0	0	0	0	0	114.7	R149 Y258	R149-G262 WeakPolarHBondContact O-CA 3.44Å; Y258-G262 PolarHBondContact O-N 2.93Å
263	S	97.6	Very high	97.2	Very high	64 Å²	64	42 Å²	42	45%	0.448	23%	0.226	S	C	.	.	S	Bend	trans	-156.7	161.1	174.8	61.6	0	0	0	0	112.4	R261 Q267	R261-S263 WeakPolarHBondContact CB-O 3.23Å; R261-S263 PolarHBondContact O-N 2.75Å; S263-Q267 VanDerWaalsContact CA-OE1 3.29Å
264	L	98.3	Very high	96.8	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.253	C	S	.	.			trans	-104.1	149.4	172.9	-66	164.2	0	0	0	110.9	R231 Y232 H254 L257 Y258 W266 Q267 L293	R231-L264 HydrophobicContact CG-CD1 4.35Å; Y232-L264 HydrophobicContact CD1-CD1 4.39Å; Y232-L264 HydrophobicContact CE1-CD1 4.32Å; H254-L264 HydrophobicContact CB-CD1 4.45Å; L257-L264 HydrophobicContact CB-CD2 4.01Å; Y258-L264 HydrophobicContact CD2-CG 4.47Å; L264-W266 HydrophobicContact CB-CD2 4.15Å; L264-W266 HydrophobicContact CB-CZ2 3.93Å; L264-W266 HydrophobicContact CD1-CZ2 3.75Å; L264-W266 HydrophobicContact CD2-CH2 4.19Å; L264-W266 HydrophobicContact CD2-CZ2 3.86Å; L264-W266 HydrophobicContact CG-CZ2 4.06Å; L264-W266 PolarHBondContact O-N 2.85Å; L264-W266 VanDerWaalsContact O-N 3.07Å; L264-Q267 HydrophobicContact CB-CG 4.38Å; L264-Q267 WeakPolarHBondContact O-CB 3.39Å; L264-Q267 PolarHBondContact O-N 3.31Å; L264-L293 HydrophobicContact CD2-CD1 4.26Å
265	P	98	Very high	96.5	Very high	65 Å²	65	57.4 Å²	57.4	42%	0.422	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.1	-174.4	-27.2	36	0	0	0	115.6	T288 L293	P265-T288 HydrophobicContact CG-CG2 4.38Å; P265-L293 HydrophobicContact CG-CD1 3.99Å
266	W	98.3	Very high	96.3	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.015	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	9.5	178.2	50.7	82.8	0	0	0	114.2	R231 H254 L264 L269 I281 T284 K285 L293	R231-W266 PolarHBondContact O-NE1 2.99Å; H254-W266 HydrophobicContact CB-CZ2 4.41Å; H254-W266 AromaticContact CD2-CH2 3.52Å; H254-W266 AromaticContact CD2-CZ2 3.48Å; H254-W266 VanDerWaalsContact CD2-CZ2 3.48Å; H254-W266 WeakPolarHBondContact CD2-CZ2 3.41Å; H254-W266 AromaticContact CG-CZ2 3.96Å; H254-W266 AromaticContact NE2-CH2 3.74Å; H254-W266 AromaticContact NE2-CZ2 3.87Å; L264-W266 HydrophobicContact CB-CD2 4.15Å; L264-W266 HydrophobicContact CB-CZ2 3.93Å; L264-W266 HydrophobicContact CD1-CZ2 3.75Å; L264-W266 HydrophobicContact CD2-CH2 4.19Å; L264-W266 HydrophobicContact CD2-CZ2 3.86Å; L264-W266 HydrophobicContact CG-CZ2 4.06Å; L264-W266 PolarHBondContact O-N 2.85Å; L264-W266 VanDerWaalsContact O-N 3.07Å; W266-L269 HydrophobicContact CB-CD1 4.13Å; W266-I281 HydrophobicContact CB-CG2 4.14Å; W266-I281 HydrophobicContact CG-CG2 4.09Å; W266-T284 HydrophobicContact CB-CG2 3.8Å; W266-K285 HydrophobicContact CD2-CD 4.38Å; W266-K285 HydrophobicContact CD2-CG 3.53Å; W266-K285 HydrophobicContact CE3-CB 4.45Å; W266-K285 HydrophobicContact CE3-CG 3.6Å; W266-K285 HydrophobicContact CG-CG 4.1Å; W266-K285 HydrophobicContact CH2-CG 3.97Å; W266-K285 HydrophobicContact CZ2-CD 4.34Å; W266-K285 VanDerWaalsContact CZ2-CE 3.47Å; W266-K285 HydrophobicContact CZ2-CG 3.92Å; W266-K285 HydrophobicContact CZ3-CG 3.83Å; W266-L293 HydrophobicContact CH2-CD1 3.94Å; W266-L293 HydrophobicContact CH2-CD2 3.78Å; W266-L293 HydrophobicContact CZ3-CD1 3.98Å; W266-L293 HydrophobicContact CZ3-CD2 4.15Å
267	Q	96.8	Very high	96.1	Very high	63 Å²	63	63 Å²	63	29%	0.294	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	144.1	168.8	-73.4	-177.4	-108.9	0	0	111.1	R231 S263 L264 L269	R231-Q267 HydrophobicContact CG-CG 3.97Å; S263-Q267 VanDerWaalsContact CA-OE1 3.29Å; L264-Q267 HydrophobicContact CB-CG 4.38Å; L264-Q267 WeakPolarHBondContact O-CB 3.39Å; L264-Q267 PolarHBondContact O-N 3.31Å; Q267-L269 VanDerWaalsContact C-N 3.35Å; Q267-L269 PolarHBondContact O-N 3.27Å
268	G	93.7	Very high	95.9	Very high	36 Å²	36	65.3 Å²	65.3	37%	0.371	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	15	174.9	0	0	0	0	0	115.5	F593	G268-F593 VanDerWaalsContact C-CZ 3.48Å; G268-F593 VanDerWaalsContact CA-CE1 3.46Å; G268-F593 VanDerWaalsContact CA-CZ 3.45Å; G268-F593 WeakPolarHBondContact O-CZ 3.44Å
269	L	95.3	Very high	95.7	Very high	46 Å²	46	70 Å²	70	24%	0.241	35%	0.346	C	S	.	.			trans	-66.8	135.8	172.7	-56.6	179.5	0	0	0	111	W266 Q267 K280 I281 T284	W266-L269 HydrophobicContact CB-CD1 4.13Å; Q267-L269 VanDerWaalsContact C-N 3.35Å; Q267-L269 PolarHBondContact O-N 3.27Å; L269-K280 HydrophobicContact CD1-CB 4.17Å; L269-K280 WeakPolarHBondContact CD1-O 3.15Å; L269-I281 HydrophobicContact CD1-CG1 4.05Å; L269-T284 WeakPolarHBondContact CD1-OG1 3.46Å
270	K	94.8	Very high	95.7	Very high	177 Å²	177	73.8 Å²	73.8	77%	0.77	36%	0.363	S	S	*	.			trans	-88.7	138.6	175.1	-67.3	-173.8	178.7	-176.2	0	111.2	K280	K270-K280 WeakPolarHBondContact O-CD 3.42Å; K270-K280 PolarHBondContact O-NZ 2.93Å
271	A	94.7	Very high	95.7	Very high	38 Å²	38	74.5 Å²	74.5	31%	0.314	37%	0.366	S	S	.	.			trans	-152.6	154.1	178.6	0	0	0	0	0	109	E276 R277 K280	A271-E276 WeakPolarHBondContact CA-OE2 3.47Å; A271-E276 HydrophobicContact CB-CB 4.26Å; A271-E276 HydrophobicContact CB-CG 4.47Å; A271-E276 WeakPolarHBondContact CB-OE2 3.26Å; A271-R277 VanDerWaalsContact CB-CA 3.49Å; A271-R277 HydrophobicContact CB-CB 3.64Å; A271-R277 HydrophobicContact CB-CG 4.07Å; A271-K280 HydrophobicContact CB-CD 4.25Å
272	E	95.4	Very high	95.7	Very high	182 Å²	182	69.8 Å²	69.8	85%	0.85	35%	0.349	S	S	*	.	S	Bend	trans	-75.1	-37.1	179.1	-61.8	177.3	170.8	0	0	111.7	E276	E272-E276 PolarHBondContact N-OE2 2.59Å
273	N	94.1	Very high	95.7	Very high	81 Å²	81	71.9 Å²	71.9	43%	0.433	36%	0.357	S	S	.	.	S	Bend	trans	-139.6	168.1	-175.9	64.2	73.3	0	0	0	111.6	R275 E276 R277	N273-R275 PolarHBondContact O-N 3.28Å; N273-R275 WeakPolarHBondContact OD1-CB 3.28Å; N273-R275 PolarHBondContact OD1-N 3.18Å; N273-E276 WeakPolarHBondContact OD1-CB 3.44Å; N273-E276 PolarHBondContact OD1-N 3.4Å; N273-R277 WeakPolarHBondContact O-CB 3.47Å; N273-R277 PolarHBondContact O-N 3.01Å
274	L	89.9	Confident	95.8	Very high	109 Å²	109	70.6 Å²	70.6	57%	0.571	35%	0.347	S	S	*	.	H	α-helix	trans	-64.8	-40.7	-174.6	-167.3	63.9	0	0	0	112.6	R277 Y278	L274-R277 VanDerWaalsContact O-CB 3.3Å; L274-R277 WeakPolarHBondContact O-CB 3.45Å; L274-R277 PolarHBondContact O-N 2.86Å; L274-R277 VanDerWaalsContact O-N 3.16Å; L274-Y278 HydrophobicContact CD1-CD2 4.15Å; L274-Y278 HydrophobicContact CD1-CE2 3.81Å; L274-Y278 HydrophobicContact CD2-CE2 4.33Å; L274-Y278 HydrophobicContact CG-CD2 4.06Å; L274-Y278 HydrophobicContact CG-CE2 3.85Å; L274-Y278 WeakPolarHBondContact O-CD2 3.36Å; L274-Y278 PolarHBondContact O-N 2.89Å
275	R	91.6	Very high	95.8	Very high	216 Å²	216	70.4 Å²	70.4	82%	0.815	35%	0.346	S	S	*	.	H	α-helix	trans	-60.8	-49.1	179.4	178.6	-179.3	175.4	-176.1	-1	111.5	N273 R277 Y278 Q279	N273-R275 PolarHBondContact O-N 3.28Å; N273-R275 WeakPolarHBondContact OD1-CB 3.28Å; N273-R275 PolarHBondContact OD1-N 3.18Å; R275-R277 VanDerWaalsContact C-N 3.26Å; R275-R277 PolarHBondContact O-N 2.7Å; R275-Y278 PolarHBondContact O-N 2.95Å; R275-Q279 PolarHBondContact O-N 3.21Å
276	E	95.1	Very high	95.8	Very high	57 Å²	57	74.1 Å²	74.1	27%	0.266	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-34.7	175.9	-163.8	-139.7	172	0	0	111.6	A271 E272 N273 Q279 K280	A271-E276 WeakPolarHBondContact CA-OE2 3.47Å; A271-E276 HydrophobicContact CB-CB 4.26Å; A271-E276 HydrophobicContact CB-CG 4.47Å; A271-E276 WeakPolarHBondContact CB-OE2 3.26Å; E272-E276 PolarHBondContact N-OE2 2.59Å; N273-E276 WeakPolarHBondContact OD1-CB 3.44Å; N273-E276 PolarHBondContact OD1-N 3.4Å; E276-Q279 PolarHBondContact O-N 3.34Å; E276-K280 HydrophobicContact CG-CD 4.43Å; E276-K280 WeakPolarHBondContact O-CB 3.31Å; E276-K280 PolarHBondContact O-N 3.08Å; E276-K280 WeakPolarHBondContact OE1-CE 3.41Å; E276-K280 IonicContact OE1-NZ 3.66Å; E276-K280 PolarHBondContact OE1-NZ 2.79Å; E276-K280 IonicContact OE2-NZ 3.31Å
277	R	95.1	Very high	95.8	Very high	61 Å²	61	77.7 Å²	77.7	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-63.1	-45.6	175.1	-161.6	-177.9	-170	-172.2	2.4	112.8	A271 N273 L274 R275 I281 C592	A271-R277 VanDerWaalsContact CB-CA 3.49Å; A271-R277 HydrophobicContact CB-CB 3.64Å; A271-R277 HydrophobicContact CB-CG 4.07Å; N273-R277 WeakPolarHBondContact O-CB 3.47Å; N273-R277 PolarHBondContact O-N 3.01Å; L274-R277 VanDerWaalsContact O-CB 3.3Å; L274-R277 WeakPolarHBondContact O-CB 3.45Å; L274-R277 PolarHBondContact O-N 2.86Å; L274-R277 VanDerWaalsContact O-N 3.16Å; R275-R277 VanDerWaalsContact C-N 3.26Å; R275-R277 PolarHBondContact O-N 2.7Å; R277-I281 HydrophobicContact CG-CD1 4.39Å; R277-I281 WeakPolarHBondContact O-CD1 3.17Å; R277-I281 VanDerWaalsContact O-CG1 3.29Å; R277-I281 WeakPolarHBondContact O-CG1 3.36Å; R277-I281 PolarHBondContact O-N 3.17Å; R277-C592 PolarHBondContact NH2-O 2.89Å
278	Y	94.1	Very high	95.9	Very high	48 Å²	48	75.7 Å²	75.7	19%	0.188	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-46.8	175.2	-86.2	-107.1	0	0	0	110.3	L226 A230 M233 H238 L274 R275 K280 I281 G282	L226-Y278 HydrophobicContact CB-CD1 4.08Å; L226-Y278 HydrophobicContact CB-CE1 4.1Å; L226-Y278 HydrophobicContact CD1-CD1 3.51Å; L226-Y278 HydrophobicContact CD1-CE1 4.35Å; L226-Y278 HydrophobicContact CD1-CG 3.72Å; L226-Y278 HydrophobicContact CG-CD1 4.4Å; A230-Y278 HydrophobicContact CB-CD1 3.78Å; A230-Y278 HydrophobicContact CB-CE1 3.43Å; A230-Y278 VanDerWaalsContact CB-CE1 3.43Å; A230-Y278 HydrophobicContact CB-CE2 4.23Å; A230-Y278 HydrophobicContact CB-CG 4.34Å; M233-Y278 HydrophobicContact CE-CE1 3.88Å; M233-Y278 HydrophobicContact SD-CD1 4.21Å; M233-Y278 HydrophobicContact SD-CE1 4.13Å; H238-Y278 AromaticContact CE1-CD1 3.89Å; H238-Y278 PolarHBondContact CE1-O 2.67Å; H238-Y278 PolarHBondContact ND1-O 3.43Å; H238-Y278 VanDerWaalsContact ND1-O 3.15Å; L274-Y278 HydrophobicContact CD1-CD2 4.15Å; L274-Y278 HydrophobicContact CD1-CE2 3.81Å; L274-Y278 HydrophobicContact CD2-CE2 4.33Å; L274-Y278 HydrophobicContact CG-CD2 4.06Å; L274-Y278 HydrophobicContact CG-CE2 3.85Å; L274-Y278 WeakPolarHBondContact O-CD2 3.36Å; L274-Y278 PolarHBondContact O-N 2.89Å; R275-Y278 PolarHBondContact O-N 2.95Å; Y278-K280 PolarHBondContact O-N 3.35Å; Y278-I281 WeakPolarHBondContact O-CA 3.24Å; Y278-I281 WeakPolarHBondContact O-CB 3.34Å; Y278-I281 PolarHBondContact O-N 2.64Å; Y278-G282 PolarHBondContact O-N 2.77Å
279	Q	95.7	Very high	96.1	Very high	100 Å²	100	77.4 Å²	77.4	47%	0.467	38%	0.379	S	S	.	.	H	α-helix	trans	-53.2	-52	177.4	-172.9	63.4	50.7	0	0	112.1	R275 E276 I281 G282 D283	R275-Q279 PolarHBondContact O-N 3.21Å; E276-Q279 PolarHBondContact O-N 3.34Å; Q279-I281 VanDerWaalsContact C-N 3.28Å; Q279-I281 PolarHBondContact O-N 3.29Å; Q279-G282 PolarHBondContact O-N 3.02Å; Q279-G282 VanDerWaalsContact O-N 3.1Å; Q279-D283 PolarHBondContact NE2-OD1 3.32Å; Q279-D283 PolarHBondContact NE2-OD2 2.77Å; Q279-D283 PolarHBondContact O-N 2.92Å
280	K	97.8	Very high	96.3	Very high	80 Å²	80	76.6 Å²	76.6	35%	0.348	37%	0.374	S	S	.	.	H	α-helix	trans	-58	-36.1	176.6	-81.4	171	161.3	168.5	0	113.2	L269 K270 A271 E276 Y278 T284	L269-K280 HydrophobicContact CD1-CB 4.17Å; L269-K280 WeakPolarHBondContact CD1-O 3.15Å; K270-K280 WeakPolarHBondContact O-CD 3.42Å; K270-K280 PolarHBondContact O-NZ 2.93Å; A271-K280 HydrophobicContact CB-CD 4.25Å; E276-K280 HydrophobicContact CG-CD 4.43Å; E276-K280 WeakPolarHBondContact O-CB 3.31Å; E276-K280 PolarHBondContact O-N 3.08Å; E276-K280 WeakPolarHBondContact OE1-CE 3.41Å; E276-K280 IonicContact OE1-NZ 3.66Å; E276-K280 PolarHBondContact OE1-NZ 2.79Å; E276-K280 IonicContact OE2-NZ 3.31Å; Y278-K280 PolarHBondContact O-N 3.35Å; K280-T284 VanDerWaalsContact O-CB 3.31Å; K280-T284 WeakPolarHBondContact O-CB 3.29Å; K280-T284 PolarHBondContact O-N 2.99Å; K280-T284 PolarHBondContact O-OG1 2.67Å
281	I	98.3	Very high	96.4	Very high	15 Å²	15	72.6 Å²	72.6	8%	0.077	36%	0.361	C	S	.	.	H	α-helix	trans	-68.5	-46	174.6	-69.6	166.5	0	0	0	110.7	A230 W266 L269 R277 Y278 Q279 T284 K285	A230-I281 HydrophobicContact CB-CD1 4.1Å; W266-I281 HydrophobicContact CB-CG2 4.14Å; W266-I281 HydrophobicContact CG-CG2 4.09Å; L269-I281 HydrophobicContact CD1-CG1 4.05Å; R277-I281 HydrophobicContact CG-CD1 4.39Å; R277-I281 WeakPolarHBondContact O-CD1 3.17Å; R277-I281 VanDerWaalsContact O-CG1 3.29Å; R277-I281 WeakPolarHBondContact O-CG1 3.36Å; R277-I281 PolarHBondContact O-N 3.17Å; Y278-I281 WeakPolarHBondContact O-CA 3.24Å; Y278-I281 WeakPolarHBondContact O-CB 3.34Å; Y278-I281 PolarHBondContact O-N 2.64Å; Q279-I281 VanDerWaalsContact C-N 3.28Å; Q279-I281 PolarHBondContact O-N 3.29Å; I281-T284 PolarHBondContact O-N 3.17Å; I281-K285 HydrophobicContact CG2-CD 4.3Å; I281-K285 WeakPolarHBondContact O-CG 3.3Å; I281-K285 PolarHBondContact O-N 3.44Å
282	G	98.2	Very high	96.6	Very high	3 Å²	3	75 Å²	75	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-61.5	-45.2	178.2	0	0	0	0	0	112.9	Y278 Q279 K285 R286	Y278-G282 PolarHBondContact O-N 2.77Å; Q279-G282 PolarHBondContact O-N 3.02Å; Q279-G282 VanDerWaalsContact O-N 3.1Å; G282-K285 WeakPolarHBondContact O-CB 3.45Å; G282-K285 PolarHBondContact O-N 3.41Å; G282-R286 WeakPolarHBondContact O-CG 3.41Å; G282-R286 PolarHBondContact O-N 3.02Å
283	D	98.2	Very high	96.7	Very high	60 Å²	60	66.4 Å²	66.4	32%	0.321	33%	0.332	S	S	.	.	H	α-helix	trans	-69.1	-37.2	177.4	-68.8	-38.7	0	0	0	112.1	Q279 K285 R286 A287	Q279-D283 PolarHBondContact NE2-OD1 3.32Å; Q279-D283 PolarHBondContact NE2-OD2 2.77Å; Q279-D283 PolarHBondContact O-N 2.92Å; D283-K285 VanDerWaalsContact C-N 3.32Å; D283-K285 PolarHBondContact O-N 3.17Å; D283-R286 PolarHBondContact O-N 3.01Å; D283-R286 IonicContact OD1-CZ 2.61Å; D283-R286 IonicContact OD1-NH1 3.41Å; D283-R286 PolarHBondContact OD1-NH1 2.96Å; D283-A287 VanDerWaalsContact O-CB 3.25Å; D283-A287 WeakPolarHBondContact O-CB 3.42Å; D283-A287 PolarHBondContact O-N 2.91Å
284	T	98.5	Very high	96.9	Very high	38 Å²	38	62.8 Å²	62.8	23%	0.233	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-37.7	172.4	-55.9	0	0	0	0	111.6	W266 L269 K280 I281 A287 T288	W266-T284 HydrophobicContact CB-CG2 3.8Å; L269-T284 WeakPolarHBondContact CD1-OG1 3.46Å; K280-T284 VanDerWaalsContact O-CB 3.31Å; K280-T284 WeakPolarHBondContact O-CB 3.29Å; K280-T284 PolarHBondContact O-N 2.99Å; K280-T284 PolarHBondContact O-OG1 2.67Å; I281-T284 PolarHBondContact O-N 3.17Å; T284-A287 PolarHBondContact O-N 2.88Å; T284-T288 WeakPolarHBondContact O-CB 3.48Å; T284-T288 PolarHBondContact O-N 3.45Å; T284-T288 PolarHBondContact O-OG1 2.67Å
285	K	98.6	Very high	97.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-37.7	173.6	-80.7	176.3	168.8	179	0	112.9	A230 R231 M233 I235 W266 I281 G282 D283	A230-K285 PolarHBondContact O-NZ 2.73Å; R231-K285 WeakPolarHBondContact O-CE 3.47Å; R231-K285 PolarHBondContact O-NZ 3.02Å; M233-K285 PolarHBondContact O-NZ 3.02Å; I235-K285 HydrophobicContact CD1-CB 4.35Å; I235-K285 HydrophobicContact CG1-CB 3.94Å; W266-K285 HydrophobicContact CD2-CD 4.38Å; W266-K285 HydrophobicContact CD2-CG 3.53Å; W266-K285 HydrophobicContact CE3-CB 4.45Å; W266-K285 HydrophobicContact CE3-CG 3.6Å; W266-K285 HydrophobicContact CG-CG 4.1Å; W266-K285 HydrophobicContact CH2-CG 3.97Å; W266-K285 HydrophobicContact CZ2-CD 4.34Å; W266-K285 VanDerWaalsContact CZ2-CE 3.47Å; W266-K285 HydrophobicContact CZ2-CG 3.92Å; W266-K285 HydrophobicContact CZ3-CG 3.83Å; I281-K285 HydrophobicContact CG2-CD 4.3Å; I281-K285 WeakPolarHBondContact O-CG 3.3Å; I281-K285 PolarHBondContact O-N 3.44Å; G282-K285 WeakPolarHBondContact O-CB 3.45Å; G282-K285 PolarHBondContact O-N 3.41Å; D283-K285 VanDerWaalsContact C-N 3.32Å; D283-K285 PolarHBondContact O-N 3.17Å
286	R	98.1	Very high	97.6	Very high	142 Å²	142	57.1 Å²	57.1	54%	0.536	31%	0.308	S	S	.	.	H	α-helix	trans	-73.6	-39.7	176.3	-68.7	167.1	68.5	-151.6	5.6	112.4	I235 G282 D283	I235-R286 HydrophobicContact CD1-CG 4.08Å; I235-R286 HydrophobicContact CG1-CG 4.28Å; I235-R286 HydrophobicContact CG2-CG 3.68Å; G282-R286 WeakPolarHBondContact O-CG 3.41Å; G282-R286 PolarHBondContact O-N 3.02Å; D283-R286 PolarHBondContact O-N 3.01Å; D283-R286 IonicContact OD1-CZ 2.61Å; D283-R286 IonicContact OD1-NH1 3.41Å; D283-R286 PolarHBondContact OD1-NH1 2.96Å
287	A	98.3	Very high	97.7	Very high	80 Å²	80	57 Å²	57	66%	0.661	31%	0.306	S	S	*	.	H	α-helix	trans	-78.9	-17	-177.7	0	0	0	0	0	114	D283 T284 P289	D283-A287 VanDerWaalsContact O-CB 3.25Å; D283-A287 WeakPolarHBondContact O-CB 3.42Å; D283-A287 PolarHBondContact O-N 2.91Å; T284-A287 PolarHBondContact O-N 2.88Å; A287-P289 VanDerWaalsContact O-CD 3.31Å; A287-P289 WeakPolarHBondContact O-CD 3.12Å
288	T	98.5	Very high	97.8	Very high	20 Å²	20	58 Å²	58	12%	0.123	32%	0.32	C	S	.	.	S	Bend	trans	-85.8	113.4	176.2	-53	0	0	0	0	110.3	P265 T284 L293	P265-T288 HydrophobicContact CG-CG2 4.38Å; T284-T288 WeakPolarHBondContact O-CB 3.48Å; T284-T288 PolarHBondContact O-N 3.45Å; T284-T288 PolarHBondContact O-OG1 2.67Å; T288-L293 HydrophobicContact CG2-CB 3.93Å
289	P	98.3	Very high	97.8	Very high	73 Å²	73	57.6 Å²	57.6	47%	0.474	32%	0.32	S	S	.	.			trans	-64.6	147	176.3	-19.3	32.9	0	0	0	111.5	A287 D291 V292 L293	A287-P289 VanDerWaalsContact O-CD 3.31Å; A287-P289 WeakPolarHBondContact O-CD 3.12Å; P289-D291 VanDerWaalsContact C-N 3.25Å; P289-D291 PolarHBondContact O-N 3.43Å; P289-V292 HydrophobicContact CB-CB 4.44Å; P289-V292 HydrophobicContact CB-CG2 4.06Å; P289-V292 HydrophobicContact CG-CG2 4Å; P289-V292 PolarHBondContact O-N 3.04Å; P289-V292 VanDerWaalsContact O-N 3.1Å; P289-L293 PolarHBondContact O-N 3.2Å
290	I	98.6	Very high	97.9	Very high	28 Å²	28	53 Å²	53	14%	0.144	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-39.1	-178.1	-63.4	172	0	0	0	110.7	V292 L293 C294 A301 L304 R305	I290-V292 VanDerWaalsContact C-N 3.29Å; I290-V292 PolarHBondContact O-N 3.28Å; I290-L293 PolarHBondContact O-N 3.42Å; I290-C294 VanDerWaalsContact O-CB 3.24Å; I290-C294 WeakPolarHBondContact O-CB 3.38Å; I290-C294 PolarHBondContact O-N 3.2Å; I290-C294 PolarHBondContact O-SG 3.37Å; I290-A301 HydrophobicContact CG2-CB 3.92Å; I290-L304 HydrophobicContact CD1-CB 4.43Å; I290-L304 HydrophobicContact CG2-CB 3.94Å; I290-R305 HydrophobicContact CD1-CG 3.76Å; I290-R305 HydrophobicContact CG2-CG 4.31Å
291	D	98.1	Very high	98	Very high	93 Å²	93	49.4 Å²	49.4	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-70	-24.5	-179.2	-49.4	-74.5	0	0	0	113.4	P289 H295 R305	P289-D291 VanDerWaalsContact C-N 3.25Å; P289-D291 PolarHBondContact O-N 3.43Å; D291-H295 WeakPolarHBondContact O-CA 3.48Å; D291-H295 PolarHBondContact O-N 3.15Å; D291-R305 IonicContact OD1-CZ 2.77Å; D291-R305 IonicContact OD1-NE 2.64Å; D291-R305 IonicContact OD1-NH2 2.67Å; D291-R305 PolarHBondContact OD1-NH2 2.98Å
292	V	98.1	Very high	98	Very high	89 Å²	89	51.4 Å²	51.4	54%	0.539	30%	0.297	S	S	.	.	H	α-helix	trans	-79.1	-45.1	172.7	177.1	0	0	0	0	110.3	P289 I290 H295	P289-V292 HydrophobicContact CB-CB 4.44Å; P289-V292 HydrophobicContact CB-CG2 4.06Å; P289-V292 HydrophobicContact CG-CG2 4Å; P289-V292 PolarHBondContact O-N 3.04Å; P289-V292 VanDerWaalsContact O-N 3.1Å; I290-V292 VanDerWaalsContact C-N 3.29Å; I290-V292 PolarHBondContact O-N 3.28Å; V292-H295 WeakPolarHBondContact O-CB 3.33Å; V292-H295 PolarHBondContact O-N 2.57Å
293	L	97.9	Very high	98	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-43.9	177.8	-179.9	63.3	0	0	0	112	L257 R261 L264 P265 W266 T288 P289 I290 L304	L257-L293 HydrophobicContact CD1-CD2 3.96Å; L257-L293 HydrophobicContact CD1-CG 4.02Å; R261-L293 PolarHBondContact NH1-O 2.88Å; L264-L293 HydrophobicContact CD2-CD1 4.26Å; P265-L293 HydrophobicContact CG-CD1 3.99Å; W266-L293 HydrophobicContact CH2-CD1 3.94Å; W266-L293 HydrophobicContact CH2-CD2 3.78Å; W266-L293 HydrophobicContact CZ3-CD1 3.98Å; W266-L293 HydrophobicContact CZ3-CD2 4.15Å; T288-L293 HydrophobicContact CG2-CB 3.93Å; P289-L293 PolarHBondContact O-N 3.2Å; I290-L293 PolarHBondContact O-N 3.42Å; L293-L304 HydrophobicContact CD2-CD1 3.66Å
294	C	98.3	Very high	98	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.027	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	16.1	-178.6	-59	0	0	0	0	113.2	L257 I290 G296 Y297 M300 A301	L257-C294 HydrophobicContact CD2-CB 4.36Å; I290-C294 VanDerWaalsContact O-CB 3.24Å; I290-C294 WeakPolarHBondContact O-CB 3.38Å; I290-C294 PolarHBondContact O-N 3.2Å; I290-C294 PolarHBondContact O-SG 3.37Å; C294-G296 PolarHBondContact O-N 2.94Å; C294-Y297 CarbonylContact O-C 3.25Å; C294-Y297 WeakPolarHBondContact O-CA 3.5Å; C294-Y297 PolarHBondContact O-N 3.41Å; C294-M300 HydrophobicContact CB-CB 4.5Å; C294-A301 HydrophobicContact CB-CB 3.67Å
295	H	97.7	Very high	98	Very high	146 Å²	146	52.2 Å²	52.2	68%	0.676	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	124.9	176.2	-176.5	85.6	0	0	0	110.8	D291 V292	D291-H295 WeakPolarHBondContact O-CA 3.48Å; D291-H295 PolarHBondContact O-N 3.15Å; V292-H295 WeakPolarHBondContact O-CB 3.33Å; V292-H295 PolarHBondContact O-N 2.57Å
296	G	97.3	Very high	98	Very high	61 Å²	61	54.2 Å²	54.2	63%	0.629	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-8.9	-172.5	0	0	0	0	0	115.6	C294	C294-G296 PolarHBondContact O-N 2.94Å
297	Y	97.5	Very high	98.1	Very high	54 Å²	54	47.5 Å²	47.5	21%	0.212	27%	0.273	C	S	.	.			trans	-136.3	67.7	-174.3	-52.6	-73.4	0	0	0	111.7	L153 L260 R261 C294 E299 M300 A301	L153-Y297 HydrophobicContact CD1-CD1 4.12Å; L153-Y297 HydrophobicContact CD1-CE1 4.48Å; L153-Y297 HydrophobicContact CD2-CD1 4.49Å; L260-Y297 HydrophobicContact CB-CE1 4.32Å; L260-Y297 HydrophobicContact CB-CE2 4.01Å; L260-Y297 HydrophobicContact CD1-CD1 3.84Å; L260-Y297 HydrophobicContact CD1-CD2 4.2Å; L260-Y297 HydrophobicContact CD1-CE1 4.1Å; L260-Y297 HydrophobicContact CD1-CE2 4.44Å; L260-Y297 HydrophobicContact CD1-CG 3.88Å; L260-Y297 HydrophobicContact CD2-CD1 4.28Å; L260-Y297 HydrophobicContact CD2-CE1 3.84Å; L260-Y297 HydrophobicContact CG-CE1 4.31Å; R261-Y297 HydrophobicContact CG-CE2 4.49Å; C294-Y297 CarbonylContact O-C 3.25Å; C294-Y297 WeakPolarHBondContact O-CA 3.5Å; C294-Y297 PolarHBondContact O-N 3.41Å; Y297-E299 VanDerWaalsContact C-N 3.28Å; Y297-E299 PolarHBondContact O-N 2.88Å; Y297-M300 WeakPolarHBondContact O-CB 3.32Å; Y297-M300 PolarHBondContact O-N 3.44Å; Y297-A301 PolarHBondContact O-N 3.47Å
298	P	97.1	Very high	98.1	Very high	81 Å²	81	46.6 Å²	46.6	53%	0.526	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-31.3	-171.4	23.5	-30.9	0	0	0	113.5	M300 A301 T302	P298-M300 VanDerWaalsContact C-N 3.3Å; P298-M300 PolarHBondContact O-N 3.19Å; P298-A301 WeakPolarHBondContact O-CA 3.48Å; P298-A301 VanDerWaalsContact O-CB 3.24Å; P298-A301 WeakPolarHBondContact O-CB 3.47Å; P298-A301 PolarHBondContact O-N 2.71Å; P298-T302 PolarHBondContact O-N 2.98Å; P298-T302 PolarHBondContact O-OG1 3.35Å
299	E	95.1	Very high	98.1	Very high	41 Å²	41	49.8 Å²	49.8	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-30.4	174.5	-66.1	84.8	174.8	0	0	112.7	Y297 A301 T302 Y303 L328 R331	Y297-E299 VanDerWaalsContact C-N 3.28Å; Y297-E299 PolarHBondContact O-N 2.88Å; E299-A301 VanDerWaalsContact C-N 3.32Å; E299-T302 PolarHBondContact O-N 3.02Å; E299-Y303 PolarHBondContact O-N 2.95Å; E299-L328 HydrophobicContact CB-CD2 3.96Å; E299-L328 HydrophobicContact CG-CB 4.27Å; E299-L328 HydrophobicContact CG-CD2 3.82Å; E299-L328 HydrophobicContact CG-CG 4.43Å; E299-L328 WeakPolarHBondContact OE1-CD1 3.26Å; E299-R331 IonicContact OE1-CZ 3.93Å; E299-R331 IonicContact OE1-NH1 2.73Å; E299-R331 PolarHBondContact OE1-NH1 3.24Å; E299-R331 IonicContact OE1-NH2 3.41Å; E299-R331 PolarHBondContact OE1-NH2 3.05Å; E299-R331 VanDerWaalsContact OE1-NH2 3.17Å
300	M	98.1	Very high	98.1	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-73.1	-26.3	170.7	-64.8	-68.6	167.5	0	0	111.9	V156 L157 F256 L257 L260 C294 Y297 P298 L304 F325	V156-M300 HydrophobicContact CG1-CE 4.01Å; L157-M300 HydrophobicContact CD2-CE 4.06Å; F256-M300 HydrophobicContact CB-CE 4.12Å; F256-M300 HydrophobicContact CB-SD 3.91Å; F256-M300 HydrophobicContact CD2-SD 4.21Å; F256-M300 HydrophobicContact CG-SD 4.5Å; L257-M300 HydrophobicContact CD2-CB 4.05Å; L257-M300 HydrophobicContact CG-CB 4.44Å; L260-M300 HydrophobicContact CD1-CE 4.26Å; L260-M300 HydrophobicContact CD1-CG 3.9Å; C294-M300 HydrophobicContact CB-CB 4.5Å; Y297-M300 WeakPolarHBondContact O-CB 3.32Å; Y297-M300 PolarHBondContact O-N 3.44Å; P298-M300 VanDerWaalsContact C-N 3.3Å; P298-M300 PolarHBondContact O-N 3.19Å; M300-L304 WeakPolarHBondContact O-CB 3.39Å; M300-L304 PolarHBondContact O-N 3.38Å; M300-F325 HydrophobicContact CE-CD1 4.38Å; M300-F325 HydrophobicContact CE-CE1 3.64Å; M300-F325 HydrophobicContact CE-CZ 3.95Å; M300-F325 HydrophobicContact SD-CE1 3.87Å; M300-F325 HydrophobicContact SD-CZ 3.97Å
301	A	98.5	Very high	98.1	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-68.9	-43.3	169.5	0	0	0	0	0	111	I290 C294 Y297 P298 E299 L304 R305	I290-A301 HydrophobicContact CG2-CB 3.92Å; C294-A301 HydrophobicContact CB-CB 3.67Å; Y297-A301 PolarHBondContact O-N 3.47Å; P298-A301 WeakPolarHBondContact O-CA 3.48Å; P298-A301 VanDerWaalsContact O-CB 3.24Å; P298-A301 WeakPolarHBondContact O-CB 3.47Å; P298-A301 PolarHBondContact O-N 2.71Å; E299-A301 VanDerWaalsContact C-N 3.32Å; A301-L304 PolarHBondContact O-N 2.83Å; A301-R305 WeakPolarHBondContact O-CB 3.19Å; A301-R305 WeakPolarHBondContact O-CG 3.27Å; A301-R305 PolarHBondContact O-N 2.93Å
302	T	98.3	Very high	98.1	Very high	58 Å²	58	44.9 Å²	44.9	36%	0.356	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-46.3	174.1	-59.3	0	0	0	0	111.5	P298 E299 R305 Y306 Y320	P298-T302 PolarHBondContact O-N 2.98Å; P298-T302 PolarHBondContact O-OG1 3.35Å; E299-T302 PolarHBondContact O-N 3.02Å; T302-R305 PolarHBondContact O-N 2.95Å; T302-Y306 PolarHBondContact O-N 3.25Å; T302-Y306 VanDerWaalsContact O-N 3.08Å; T302-Y320 WeakPolarHBondContact CG2-OH 3.43Å
303	Y	98.8	Very high	98.1	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.027	24%	0.24	C	C	.	.	H	α-helix	trans	-54.8	-53.8	173.1	-175.5	-82.2	0	0	0	111.9	L164 L249 G253 F256 E299 R305 Y306 V307 L321 F325	L164-Y303 HydrophobicContact CD1-CE2 4.47Å; L164-Y303 HydrophobicContact CD2-CE2 4.19Å; L249-Y303 WeakPolarHBondContact O-CE1 3.38Å; L249-Y303 PolarHBondContact O-OH 2.78Å; G253-Y303 VanDerWaalsContact CA-CE1 3.5Å; F256-Y303 HydrophobicContact CE2-CE1 4.33Å; F256-Y303 HydrophobicContact CE2-CE2 4.16Å; F256-Y303 AromaticContact CE2-CZ 3.91Å; E299-Y303 PolarHBondContact O-N 2.95Å; Y303-R305 PolarHBondContact O-N 2.99Å; Y303-Y306 PolarHBondContact O-N 3.02Å; Y303-V307 HydrophobicContact CD1-CG1 4.23Å; Y303-V307 HydrophobicContact CD1-CG2 4.29Å; Y303-V307 HydrophobicContact CE1-CG1 3.82Å; Y303-V307 HydrophobicContact CE1-CG2 4.11Å; Y303-V307 HydrophobicContact CE2-CG1 4.5Å; Y303-V307 WeakPolarHBondContact O-CG2 3.19Å; Y303-V307 PolarHBondContact O-N 2.95Å; Y303-L321 HydrophobicContact CD2-CD2 3.67Å; Y303-L321 HydrophobicContact CE2-CB 4.28Å; Y303-L321 HydrophobicContact CE2-CD1 3.99Å; Y303-L321 HydrophobicContact CE2-CD2 3.89Å; Y303-L321 HydrophobicContact CE2-CG 4.29Å; Y303-L321 HydrophobicContact CG-CD2 4.44Å; Y303-F325 HydrophobicContact CD2-CE1 4.27Å; Y303-F325 AromaticContact CD2-CE2 3.63Å; Y303-F325 HydrophobicContact CD2-CE2 3.63Å; Y303-F325 AromaticContact CD2-CZ 3.3Å; Y303-F325 HydrophobicContact CD2-CZ 3.3Å; Y303-F325 AromaticContact CE2-CE2 3.83Å; Y303-F325 HydrophobicContact CE2-CE2 3.83Å; Y303-F325 AromaticContact CE2-CZ 3.91Å; Y303-F325 HydrophobicContact CE2-CZ 3.91Å; Y303-F325 AromaticContact CG-CZ 3.86Å; Y303-F325 HydrophobicContact CG-CZ 3.86Å
304	L	98.7	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-32.3	-177.9	-86.7	-169.3	0	0	0	113.9	E250 L257 I290 L293 M300 A301 V307 R308	E250-L304 HydrophobicContact CG-CD2 4.18Å; L257-L304 HydrophobicContact CD1-CD1 3.42Å; L257-L304 VanDerWaalsContact CD1-CD1 3.42Å; L257-L304 HydrophobicContact CD1-CG 4.13Å; I290-L304 HydrophobicContact CD1-CB 4.43Å; I290-L304 HydrophobicContact CG2-CB 3.94Å; L293-L304 HydrophobicContact CD2-CD1 3.66Å; M300-L304 WeakPolarHBondContact O-CB 3.39Å; M300-L304 PolarHBondContact O-N 3.38Å; A301-L304 PolarHBondContact O-N 2.83Å; L304-V307 HydrophobicContact CD2-CG2 4.09Å; L304-R308 VanDerWaalsContact O-CB 3.28Å; L304-R308 WeakPolarHBondContact O-CB 3.44Å; L304-R308 VanDerWaalsContact O-CG 3.28Å; L304-R308 WeakPolarHBondContact O-CG 3.32Å; L304-R308 PolarHBondContact O-N 2.78Å
305	R	98.6	Very high	98.2	Very high	111 Å²	111	55 Å²	55	42%	0.419	29%	0.285	S	S	.	.	H	α-helix	trans	-64.3	-48.4	173.3	-72.4	-175.4	-143.8	102.9	-6.2	110.4	I290 D291 A301 T302 Y303 R308 S309	I290-R305 HydrophobicContact CD1-CG 3.76Å; I290-R305 HydrophobicContact CG2-CG 4.31Å; D291-R305 IonicContact OD1-CZ 2.77Å; D291-R305 IonicContact OD1-NE 2.64Å; D291-R305 IonicContact OD1-NH2 2.67Å; D291-R305 PolarHBondContact OD1-NH2 2.98Å; A301-R305 WeakPolarHBondContact O-CB 3.19Å; A301-R305 WeakPolarHBondContact O-CG 3.27Å; A301-R305 PolarHBondContact O-N 2.93Å; T302-R305 PolarHBondContact O-N 2.95Å; Y303-R305 PolarHBondContact O-N 2.99Å; R305-R308 PolarHBondContact O-N 3.09Å; R305-S309 PolarHBondContact O-N 3.05Å; R305-S309 PolarHBondContact O-OG 3.21Å
306	Y	98.8	Very high	98.2	Very high	41 Å²	41	48.3 Å²	48.3	16%	0.161	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-53.2	179.4	178.3	-95.1	0	0	0	112.8	T302 Y303 R308 S309 L310 N317 Y320 L321	T302-Y306 PolarHBondContact O-N 3.25Å; T302-Y306 VanDerWaalsContact O-N 3.08Å; Y303-Y306 PolarHBondContact O-N 3.02Å; Y306-R308 PolarHBondContact O-N 2.91Å; Y306-S309 PolarHBondContact O-N 2.83Å; Y306-S309 VanDerWaalsContact O-N 3.08Å; Y306-S309 PolarHBondContact O-OG 3.39Å; Y306-L310 HydrophobicContact CE1-CD1 4.28Å; Y306-L310 HydrophobicContact CE1-CD2 3.94Å; Y306-L310 HydrophobicContact CE1-CG 4.27Å; Y306-L310 HydrophobicContact CE2-CD2 4.47Å; Y306-L310 PolarHBondContact O-N 3.44Å; Y306-N317 PolarHBondContact OH-N 2.94Å; Y306-Y320 HydrophobicContact CD2-CD1 4.12Å; Y306-Y320 AromaticContact CD2-CE1 3.86Å; Y306-Y320 HydrophobicContact CD2-CE1 3.86Å; Y306-Y320 HydrophobicContact CE2-CD1 4.28Å; Y306-Y320 HydrophobicContact CE2-CE1 4.44Å; Y306-Y320 HydrophobicContact CG-CD1 4.28Å; Y306-Y320 AromaticContact CG-CE1 3.98Å; Y306-Y320 HydrophobicContact CG-CE1 3.98Å; Y306-L321 HydrophobicContact CD1-CD1 4.12Å; Y306-L321 HydrophobicContact CD1-CD2 3.57Å; Y306-L321 HydrophobicContact CD1-CG 4.02Å; Y306-L321 HydrophobicContact CE1-CD1 4.09Å; Y306-L321 HydrophobicContact CE1-CD2 4.16Å; Y306-L321 HydrophobicContact CE1-CG 4.1Å; Y306-L321 HydrophobicContact CG-CD2 4.22Å
307	V	98.8	Very high	98.3	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-21.4	-175.2	-55.4	0	0	0	0	113.1	L249 E250 Y303 L304 L310 L321	L249-V307 HydrophobicContact CB-CB 4.06Å; L249-V307 HydrophobicContact CB-CG1 3.72Å; L249-V307 HydrophobicContact CD1-CG1 4.45Å; E250-V307 HydrophobicContact CB-CG2 4.13Å; E250-V307 HydrophobicContact CG-CG2 4.27Å; Y303-V307 HydrophobicContact CD1-CG1 4.23Å; Y303-V307 HydrophobicContact CD1-CG2 4.29Å; Y303-V307 HydrophobicContact CE1-CG1 3.82Å; Y303-V307 HydrophobicContact CE1-CG2 4.11Å; Y303-V307 HydrophobicContact CE2-CG1 4.5Å; Y303-V307 WeakPolarHBondContact O-CG2 3.19Å; Y303-V307 PolarHBondContact O-N 2.95Å; L304-V307 HydrophobicContact CD2-CG2 4.09Å; V307-L310 HydrophobicContact CB-CD1 4.43Å; V307-L321 HydrophobicContact CG1-CD1 4.06Å; V307-L321 HydrophobicContact CG1-CD2 4.46Å
308	R	98.6	Very high	98.4	Very high	60 Å²	60	47.8 Å²	47.8	23%	0.226	24%	0.24	C	C	.	.	H	α-helix	trans	-85.2	-19.3	172.5	-73	178.8	169.1	-177.1	0.9	114	I235 E250 H254 L304 R305 Y306	I235-R308 VanDerWaalsContact CD1-CZ 3.48Å; E250-R308 HydrophobicContact CG-CG 3.97Å; E250-R308 IonicContact OE1-CZ 3.23Å; E250-R308 IonicContact OE1-NE 2.61Å; E250-R308 PolarHBondContact OE1-NE 2.94Å; E250-R308 IonicContact OE1-NH2 3.75Å; E250-R308 PolarHBondContact OE1-NH2 3.14Å; H254-R308 PolarHBondContact NE2-NH2 3.25Å; L304-R308 VanDerWaalsContact O-CB 3.28Å; L304-R308 WeakPolarHBondContact O-CB 3.44Å; L304-R308 VanDerWaalsContact O-CG 3.28Å; L304-R308 WeakPolarHBondContact O-CG 3.32Å; L304-R308 PolarHBondContact O-N 2.78Å; R305-R308 PolarHBondContact O-N 3.09Å; Y306-R308 PolarHBondContact O-N 2.91Å
309	S	98.5	Very high	98.4	Very high	88 Å²	88	49.2 Å²	49.2	62%	0.615	24%	0.239	S	C	*	.	H	α-helix	trans	-84	-15.4	173.6	53.8	0	0	0	0	113.9	R305 Y306 D311	R305-S309 PolarHBondContact O-N 3.05Å; R305-S309 PolarHBondContact O-OG 3.21Å; Y306-S309 PolarHBondContact O-N 2.83Å; Y306-S309 VanDerWaalsContact O-N 3.08Å; Y306-S309 PolarHBondContact O-OG 3.39Å; S309-D311 PolarHBondContact O-N 2.84Å
310	L	98.7	Very high	98.6	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	25%	0.248	C	C	.	.			trans	-57.6	132	178.8	-70.1	172.8	0	0	0	112.5	R246 L249 Y306 V307 E314 P316	R246-L310 HydrophobicContact CB-CB 3.67Å; R246-L310 HydrophobicContact CB-CD1 3.61Å; R246-L310 HydrophobicContact CB-CG 4.3Å; R246-L310 WeakPolarHBondContact CD-O 3.35Å; R246-L310 PolarHBondContact NH1-O 3.39Å; L249-L310 HydrophobicContact CD1-CD1 4.31Å; Y306-L310 HydrophobicContact CE1-CD1 4.28Å; Y306-L310 HydrophobicContact CE1-CD2 3.94Å; Y306-L310 HydrophobicContact CE1-CG 4.27Å; Y306-L310 HydrophobicContact CE2-CD2 4.47Å; Y306-L310 PolarHBondContact O-N 3.44Å; V307-L310 HydrophobicContact CB-CD1 4.43Å; L310-E314 VanDerWaalsContact CA-OE2 3.32Å; L310-E314 WeakPolarHBondContact CA-OE2 3.26Å; L310-E314 HydrophobicContact CD2-CB 4.31Å; L310-E314 VanDerWaalsContact CD2-CD 3.42Å; L310-E314 HydrophobicContact CD2-CG 3.97Å; L310-E314 WeakPolarHBondContact CD2-OE1 3.32Å; L310-P316 HydrophobicContact CD1-CB 4.12Å; L310-P316 HydrophobicContact CD1-CG 4.01Å
311	D	98.7	Very high	98.6	Very high	85 Å²	85	51.8 Å²	51.8	46%	0.455	25%	0.248	S	C	.	.			trans	-68.1	161.4	167.7	-177.8	-105.8	0	0	0	112	R246 S309 F313 E314	R246-D311 VanDerWaalsContact NH1-C 3.34Å; S309-D311 PolarHBondContact O-N 2.84Å; D311-F313 VanDerWaalsContact C-N 3.29Å; D311-F313 PolarHBondContact O-N 3.24Å; D311-F313 WeakPolarHBondContact OD1-CD2 3.4Å; D311-F313 PolarHBondContact OD1-N 3.29Å; D311-E314 HydrophobicContact CB-CB 4.2Å; D311-E314 PolarHBondContact N-OE2 2.83Å; D311-E314 PolarHBondContact O-N 2.73Å
312	F	98.7	Very high	98.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	25%	0.249	C	C	.	.	S	Bend	trans	-57.3	-39	177.4	175.6	-108.9	0	0	0	113.1	H217 I218 Y220 E242 S244 R246	H217-F312 AromaticContact CE1-CD1 3.99Å; H217-F312 AromaticContact CE1-CE1 3.54Å; H217-F312 AromaticContact CE1-CZ 3.67Å; H217-F312 AromaticContact ND1-CE1 3.71Å; H217-F312 PolarHBondContact NE2-O 2.99Å; I218-F312 HydrophobicContact CD1-CZ 4.39Å; I218-F312 HydrophobicContact CG1-CZ 4.2Å; I218-F312 WeakPolarHBondContact O-CE1 3.24Å; Y220-F312 VanDerWaalsContact CA-CE1 3.46Å; Y220-F312 HydrophobicContact CD2-CB 4.05Å; Y220-F312 AromaticContact CD2-CD1 3.77Å; Y220-F312 HydrophobicContact CD2-CD1 3.77Å; Y220-F312 AromaticContact CD2-CD2 3.89Å; Y220-F312 HydrophobicContact CD2-CD2 3.89Å; Y220-F312 HydrophobicContact CD2-CE1 4.14Å; Y220-F312 HydrophobicContact CD2-CE2 4.25Å; Y220-F312 AromaticContact CD2-CG 3.63Å; Y220-F312 HydrophobicContact CD2-CG 3.63Å; Y220-F312 HydrophobicContact CD2-CZ 4.36Å; Y220-F312 HydrophobicContact CE2-CD2 4.43Å; Y220-F312 HydrophobicContact CE2-CG 4.37Å; Y220-F312 HydrophobicContact CG-CD1 4.3Å; E242-F312 HydrophobicContact CB-CE2 4.1Å; E242-F312 HydrophobicContact CB-CZ 4.21Å; E242-F312 HydrophobicContact CG-CE2 4.32Å; E242-F312 HydrophobicContact CG-CZ 4.19Å; E242-F312 VanDerWaalsContact O-CE2 3.23Å; E242-F312 WeakPolarHBondContact O-CE2 3.36Å; S244-F312 WeakPolarHBondContact CB-O 3.42Å; S244-F312 PolarHBondContact OG-O 3.44Å; R246-F312 VanDerWaalsContact NH1-N 3.13Å
313	F	98.5	Very high	98.6	Very high	97 Å²	97	56.5 Å²	56.5	43%	0.425	26%	0.259	S	S	.	.	S	Bend	trans	-88.6	-12.8	-178	-59	-75.4	0	0	0	113.4	H217 R245 D311	H217-F313 HydrophobicContact CB-CD1 3.95Å; H217-F313 AromaticContact CG-CD1 3.73Å; H217-F313 AromaticContact ND1-CD1 3.51Å; H217-F313 AromaticContact ND1-CE1 3.89Å; R245-F313 PolarHBondContact NH2-O 3.42Å; D311-F313 VanDerWaalsContact C-N 3.29Å; D311-F313 PolarHBondContact O-N 3.24Å; D311-F313 WeakPolarHBondContact OD1-CD2 3.4Å; D311-F313 PolarHBondContact OD1-N 3.29Å
314	E	98.6	Very high	98.5	Very high	81 Å²	81	57.2 Å²	57.2	38%	0.379	27%	0.269	S	S	.	.			trans	-61.6	151.4	-168.3	-162.6	172.9	158.1	0	0	113.2	R245 L310 D311	R245-E314 PolarHBondContact NE-O 2.9Å; R245-E314 VanDerWaalsContact NE-O 3.11Å; R245-E314 VanDerWaalsContact NH2-C 3.28Å; R245-E314 PolarHBondContact NH2-O 3.38Å; L310-E314 VanDerWaalsContact CA-OE2 3.32Å; L310-E314 WeakPolarHBondContact CA-OE2 3.26Å; L310-E314 HydrophobicContact CD2-CB 4.31Å; L310-E314 VanDerWaalsContact CD2-CD 3.42Å; L310-E314 HydrophobicContact CD2-CG 3.97Å; L310-E314 WeakPolarHBondContact CD2-OE1 3.32Å; D311-E314 HydrophobicContact CB-CB 4.2Å; D311-E314 PolarHBondContact N-OE2 2.83Å; D311-E314 PolarHBondContact O-N 2.73Å
315	E	98.5	Very high	98.5	Very high	130 Å²	130	57.4 Å²	57.4	61%	0.607	27%	0.269	S	S	*	.			trans	-96	115.1	169.8	-171.1	144.7	148.3	0	0	110.1	R245 N317	R245-E315 IonicContact CZ-OE2 3.44Å; R245-E315 IonicContact NH1-OE2 3.38Å; R245-E315 PolarHBondContact NH1-OE2 2.93Å; R245-E315 IonicContact NH2-OE2 3.05Å; E315-N317 PolarHBondContact O-N 3.49Å
316	P	98.8	Very high	98.4	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.026	27%	0.266	C	S	.	.			trans	-63.3	135.2	179	-18.4	28.8	0	0	0	112	R245 L249 L310 Y318	R245-P316 HydrophobicContact CB-CG 3.95Å; L249-P316 HydrophobicContact CD1-CB 3.35Å; L249-P316 HydrophobicContact CD1-CG 3.47Å; L249-P316 VanDerWaalsContact CD1-CG 3.47Å; L310-P316 HydrophobicContact CD1-CB 4.12Å; L310-P316 HydrophobicContact CD1-CG 4.01Å; P316-Y318 VanDerWaalsContact C-N 3.32Å; P316-Y318 HydrophobicContact CB-CD1 4.24Å; P316-Y318 HydrophobicContact CB-CE1 3.85Å; P316-Y318 HydrophobicContact CB-CE2 4.43Å; P316-Y318 WeakPolarHBondContact CD-OH 3.42Å; P316-Y318 HydrophobicContact CG-CE1 4.04Å; P316-Y318 WeakPolarHBondContact O-CD2 3.3Å; P316-Y318 WeakPolarHBondContact O-CE2 3.43Å; P316-Y318 PolarHBondContact O-N 3.49Å
317	N	98.6	Very high	98.3	Very high	88 Å²	88	54.7 Å²	54.7	47%	0.471	27%	0.268	S	S	.	.			trans	-77.2	83.7	170.2	-172.5	-21	0	0	0	109.7	Y306 E315 E319 Y320 L321	Y306-N317 PolarHBondContact OH-N 2.94Å; E315-N317 PolarHBondContact O-N 3.49Å; N317-E319 PolarHBondContact O-N 2.94Å; N317-E319 PolarHBondContact OD1-N 3.07Å; N317-Y320 VanDerWaalsContact CG-CB 3.49Å; N317-Y320 PolarHBondContact O-N 3.15Å; N317-Y320 WeakPolarHBondContact OD1-CB 3.26Å; N317-Y320 PolarHBondContact OD1-N 2.88Å; N317-L321 PolarHBondContact O-N 3.15Å
318	Y	98.7	Very high	98.3	Very high	17 Å²	17	54.7 Å²	54.7	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-29.1	-178.4	-47.8	-84.1	0	0	0	112.9	E168 H171 L249 P316 L321 R322	E168-Y318 HydrophobicContact CB-CD1 3.87Å; E168-Y318 HydrophobicContact CB-CD2 4.1Å; E168-Y318 HydrophobicContact CB-CE1 4.14Å; E168-Y318 HydrophobicContact CB-CE2 4.37Å; E168-Y318 HydrophobicContact CB-CG 3.86Å; E168-Y318 HydrophobicContact CG-CD1 4.4Å; E168-Y318 HydrophobicContact CG-CD2 3.71Å; E168-Y318 HydrophobicContact CG-CE2 4.08Å; E168-Y318 HydrophobicContact CG-CG 3.91Å; E168-Y318 WeakPolarHBondContact OE1-CB 3.45Å; H171-Y318 WeakPolarHBondContact CB-OH 2.95Å; H171-Y318 AromaticContact ND1-CE1 3.75Å; H171-Y318 AromaticContact ND1-CZ 3.68Å; H171-Y318 PolarHBondContact ND1-OH 2.96Å; L249-Y318 HydrophobicContact CD1-CD1 4.5Å; L249-Y318 HydrophobicContact CD1-CE1 4.17Å; L249-Y318 HydrophobicContact CD2-CE1 4.46Å; P316-Y318 VanDerWaalsContact C-N 3.32Å; P316-Y318 HydrophobicContact CB-CD1 4.24Å; P316-Y318 HydrophobicContact CB-CE1 3.85Å; P316-Y318 HydrophobicContact CB-CE2 4.43Å; P316-Y318 WeakPolarHBondContact CD-OH 3.42Å; P316-Y318 HydrophobicContact CG-CE1 4.04Å; P316-Y318 WeakPolarHBondContact O-CD2 3.3Å; P316-Y318 WeakPolarHBondContact O-CE2 3.43Å; P316-Y318 PolarHBondContact O-N 3.49Å; Y318-L321 PolarHBondContact O-N 2.84Å; Y318-R322 WeakPolarHBondContact O-CG 3.48Å; Y318-R322 PolarHBondContact O-N 3.13Å
319	E	98.2	Very high	98.2	Very high	110 Å²	110	52 Å²	52	51%	0.514	26%	0.258	S	S	.	.	H	α-helix	trans	-70.6	-39.1	175.3	-71.7	-60.6	171.5	0	0	112.2	N317 L321 R322 W323	N317-E319 PolarHBondContact O-N 2.94Å; N317-E319 PolarHBondContact OD1-N 3.07Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L321 PolarHBondContact O-N 3.22Å; E319-R322 VanDerWaalsContact CD-NE 3.3Å; E319-R322 PolarHBondContact O-N 2.79Å; E319-R322 IonicContact OE1-CZ 2.75Å; E319-R322 IonicContact OE1-NE 3.26Å; E319-R322 PolarHBondContact OE1-NE 2.97Å; E319-R322 IonicContact OE1-NH2 3.62Å; E319-R322 PolarHBondContact OE1-NH2 3.16Å; E319-R322 IonicContact OE2-CZ 3.43Å; E319-R322 IonicContact OE2-NE 2.84Å; E319-R322 PolarHBondContact OE2-NE 2.91Å; E319-R322 IonicContact OE2-NH2 2.71Å; E319-R322 PolarHBondContact OE2-NH2 2.8Å; E319-W323 WeakPolarHBondContact O-CA 3.49Å; E319-W323 WeakPolarHBondContact O-CB 3.41Å; E319-W323 PolarHBondContact O-N 2.84Å
320	Y	98.4	Very high	98.2	Very high	94 Å²	94	55.3 Å²	55.3	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-58.1	-44.2	170.7	169.4	-106.6	0	0	0	111.5	T302 Y306 N317 W323 G324	T302-Y320 WeakPolarHBondContact CG2-OH 3.43Å; Y306-Y320 HydrophobicContact CD2-CD1 4.12Å; Y306-Y320 AromaticContact CD2-CE1 3.86Å; Y306-Y320 HydrophobicContact CD2-CE1 3.86Å; Y306-Y320 HydrophobicContact CE2-CD1 4.28Å; Y306-Y320 HydrophobicContact CE2-CE1 4.44Å; Y306-Y320 HydrophobicContact CG-CD1 4.28Å; Y306-Y320 AromaticContact CG-CE1 3.98Å; Y306-Y320 HydrophobicContact CG-CE1 3.98Å; N317-Y320 VanDerWaalsContact CG-CB 3.49Å; N317-Y320 PolarHBondContact O-N 3.15Å; N317-Y320 WeakPolarHBondContact OD1-CB 3.26Å; N317-Y320 PolarHBondContact OD1-N 2.88Å; Y320-W323 PolarHBondContact O-N 2.72Å; Y320-G324 PolarHBondContact O-N 2.72Å; Y320-G324 VanDerWaalsContact O-N 3.1Å
321	L	98.6	Very high	98.1	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-38.8	177.7	-68.5	-178	0	0	0	113.1	L164 L249 Y303 Y306 V307 N317 Y318 E319 F325	L164-L321 HydrophobicContact CD1-CB 3.85Å; L164-L321 HydrophobicContact CD2-CB 4.17Å; L164-L321 HydrophobicContact CD2-CD1 4.08Å; L249-L321 HydrophobicContact CD1-CD1 4.05Å; Y303-L321 HydrophobicContact CD2-CD2 3.67Å; Y303-L321 HydrophobicContact CE2-CB 4.28Å; Y303-L321 HydrophobicContact CE2-CD1 3.99Å; Y303-L321 HydrophobicContact CE2-CD2 3.89Å; Y303-L321 HydrophobicContact CE2-CG 4.29Å; Y303-L321 HydrophobicContact CG-CD2 4.44Å; Y306-L321 HydrophobicContact CD1-CD1 4.12Å; Y306-L321 HydrophobicContact CD1-CD2 3.57Å; Y306-L321 HydrophobicContact CD1-CG 4.02Å; Y306-L321 HydrophobicContact CE1-CD1 4.09Å; Y306-L321 HydrophobicContact CE1-CD2 4.16Å; Y306-L321 HydrophobicContact CE1-CG 4.1Å; Y306-L321 HydrophobicContact CG-CD2 4.22Å; V307-L321 HydrophobicContact CG1-CD1 4.06Å; V307-L321 HydrophobicContact CG1-CD2 4.46Å; N317-L321 PolarHBondContact O-N 3.15Å; Y318-L321 PolarHBondContact O-N 2.84Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L321 PolarHBondContact O-N 3.22Å; L321-F325 WeakPolarHBondContact O-CD2 3.3Å
322	R	98.3	Very high	98	Very high	9 Å²	9	63 Å²	63	3%	0.034	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-47.5	172.7	-78.6	-173.1	-75.5	-92.5	13.8	111.6	L164 E168 Y318 E319 G324 F325 T326	L164-R322 HydrophobicContact CB-CG 4.13Å; L164-R322 HydrophobicContact CD1-CG 3.92Å; E168-R322 VanDerWaalsContact CD-NH2 3.3Å; E168-R322 IonicContact OE1-CZ 3.17Å; E168-R322 IonicContact OE1-NH1 3.23Å; E168-R322 PolarHBondContact OE1-NH1 2.83Å; E168-R322 IonicContact OE1-NH2 2.92Å; E168-R322 PolarHBondContact OE1-NH2 2.68Å; E168-R322 IonicContact OE2-CZ 2.71Å; E168-R322 VanDerWaalsContact OE2-CZ 3.29Å; E168-R322 IonicContact OE2-NH1 2.73Å; E168-R322 PolarHBondContact OE2-NH1 2.88Å; E168-R322 IonicContact OE2-NH2 3.52Å; E168-R322 PolarHBondContact OE2-NH2 3.29Å; E168-R322 VanDerWaalsContact OE2-NH2 3.1Å; Y318-R322 WeakPolarHBondContact O-CG 3.48Å; Y318-R322 PolarHBondContact O-N 3.13Å; E319-R322 VanDerWaalsContact CD-NE 3.3Å; E319-R322 PolarHBondContact O-N 2.79Å; E319-R322 IonicContact OE1-CZ 2.75Å; E319-R322 IonicContact OE1-NE 3.26Å; E319-R322 PolarHBondContact OE1-NE 2.97Å; E319-R322 IonicContact OE1-NH2 3.62Å; E319-R322 PolarHBondContact OE1-NH2 3.16Å; E319-R322 IonicContact OE2-CZ 3.43Å; E319-R322 IonicContact OE2-NE 2.84Å; E319-R322 PolarHBondContact OE2-NE 2.91Å; E319-R322 IonicContact OE2-NH2 2.71Å; E319-R322 PolarHBondContact OE2-NH2 2.8Å; R322-G324 VanDerWaalsContact C-N 3.34Å; R322-G324 PolarHBondContact O-N 2.93Å; R322-F325 PolarHBondContact O-N 3.43Å; R322-T326 PolarHBondContact O-N 3Å; R322-T326 PolarHBondContact O-OG1 3.33Å
323	W	97.8	Very high	98	Very high	151 Å²	151	66.2 Å²	66.2	57%	0.572	32%	0.323	S	S	*	.	H	α-helix	trans	-56.9	-47.2	-175.4	176	78.9	0	0	0	111.2	E319 Y320 F325 T326 D327	E319-W323 WeakPolarHBondContact O-CA 3.49Å; E319-W323 WeakPolarHBondContact O-CB 3.41Å; E319-W323 PolarHBondContact O-N 2.84Å; Y320-W323 PolarHBondContact O-N 2.72Å; W323-F325 PolarHBondContact O-N 2.88Å; W323-T326 WeakPolarHBondContact CA-OG1 3.49Å; W323-T326 PolarHBondContact O-N 3.26Å; W323-T326 VanDerWaalsContact O-N 3.14Å; W323-T326 PolarHBondContact O-OG1 3.42Å; W323-D327 HydrophobicContact CZ2-CB 4.23Å; W323-D327 VanDerWaalsContact O-CB 3.26Å; W323-D327 WeakPolarHBondContact O-CB 3.14Å; W323-D327 PolarHBondContact O-N 3.03Å
324	G	97.7	Very high	97.9	Very high	22 Å²	22	65.9 Å²	65.9	23%	0.227	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-28.1	177.6	0	0	0	0	0	114.3	Y320 R322 L328	Y320-G324 PolarHBondContact O-N 2.72Å; Y320-G324 VanDerWaalsContact O-N 3.1Å; R322-G324 VanDerWaalsContact C-N 3.34Å; R322-G324 PolarHBondContact O-N 2.93Å; G324-L328 PolarHBondContact O-N 3.37Å
325	F	98.1	Very high	97.7	Very high	3 Å²	3	69.2 Å²	69.2	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-82.2	-39.1	173.2	-65	-34.1	0	0	0	112.7	L157 A160 I161 L164 F256 M300 Y303 L321 R322 W323 L328 M329	L157-F325 HydrophobicContact CD2-CB 3.81Å; L157-F325 HydrophobicContact CD2-CD1 3.35Å; L157-F325 HydrophobicContact CD2-CE1 4.08Å; L157-F325 HydrophobicContact CD2-CG 3.75Å; A160-F325 HydrophobicContact CB-CD2 3.72Å; A160-F325 HydrophobicContact CB-CE2 3.55Å; A160-F325 HydrophobicContact CB-CZ 4.29Å; I161-F325 HydrophobicContact CD1-CB 4.36Å; I161-F325 HydrophobicContact CG1-CB 4.09Å; L164-F325 HydrophobicContact CD1-CD2 4Å; L164-F325 HydrophobicContact CD1-CE2 3.98Å; F256-F325 HydrophobicContact CD2-CZ 4.34Å; F256-F325 HydrophobicContact CE2-CE2 4.21Å; F256-F325 HydrophobicContact CE2-CZ 4.36Å; M300-F325 HydrophobicContact CE-CD1 4.38Å; M300-F325 HydrophobicContact CE-CE1 3.64Å; M300-F325 HydrophobicContact CE-CZ 3.95Å; M300-F325 HydrophobicContact SD-CE1 3.87Å; M300-F325 HydrophobicContact SD-CZ 3.97Å; Y303-F325 HydrophobicContact CD2-CE1 4.27Å; Y303-F325 AromaticContact CD2-CE2 3.63Å; Y303-F325 HydrophobicContact CD2-CE2 3.63Å; Y303-F325 AromaticContact CD2-CZ 3.3Å; Y303-F325 HydrophobicContact CD2-CZ 3.3Å; Y303-F325 AromaticContact CE2-CE2 3.83Å; Y303-F325 HydrophobicContact CE2-CE2 3.83Å; Y303-F325 AromaticContact CE2-CZ 3.91Å; Y303-F325 HydrophobicContact CE2-CZ 3.91Å; Y303-F325 AromaticContact CG-CZ 3.86Å; Y303-F325 HydrophobicContact CG-CZ 3.86Å; L321-F325 WeakPolarHBondContact O-CD2 3.3Å; R322-F325 PolarHBondContact O-N 3.43Å; W323-F325 PolarHBondContact O-N 2.88Å; F325-L328 PolarHBondContact O-N 3.37Å; F325-M329 WeakPolarHBondContact O-CG 3.17Å; F325-M329 PolarHBondContact O-N 3.44Å; F325-M329 VanDerWaalsContact O-N 3.1Å
326	T	97.6	Very high	97.5	Very high	58 Å²	58	65.4 Å²	65.4	36%	0.356	32%	0.322	S	S	.	.	H	α-helix	trans	-70.3	-38.3	176.5	48.7	0	0	0	0	112.9	I161 R322 W323 M329 Q330	I161-T326 HydrophobicContact CD1-CG2 3.64Å; I161-T326 HydrophobicContact CG1-CG2 4.22Å; R322-T326 PolarHBondContact O-N 3Å; R322-T326 PolarHBondContact O-OG1 3.33Å; W323-T326 WeakPolarHBondContact CA-OG1 3.49Å; W323-T326 PolarHBondContact O-N 3.26Å; W323-T326 VanDerWaalsContact O-N 3.14Å; W323-T326 PolarHBondContact O-OG1 3.42Å; T326-M329 PolarHBondContact O-N 2.76Å; T326-Q330 PolarHBondContact O-N 3.21Å
327	D	97	Very high	97.3	Very high	37 Å²	37	68.1 Å²	68.1	20%	0.198	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-43.4	173	159.9	74.3	0	0	0	110.8	W323 M329 Q330 R331	W323-D327 HydrophobicContact CZ2-CB 4.23Å; W323-D327 VanDerWaalsContact O-CB 3.26Å; W323-D327 WeakPolarHBondContact O-CB 3.14Å; W323-D327 PolarHBondContact O-N 3.03Å; D327-M329 PolarHBondContact O-N 2.64Å; D327-Q330 PolarHBondContact O-N 3.33Å; D327-R331 WeakPolarHBondContact O-CB 3.38Å; D327-R331 WeakPolarHBondContact O-CG 3.13Å; D327-R331 PolarHBondContact O-N 3.35Å; D327-R331 IonicContact OD1-NE 2.75Å; D327-R331 PolarHBondContact OD1-NE 3.18Å; D327-R331 IonicContact OD2-CZ 2.69Å; D327-R331 IonicContact OD2-NE 2.81Å; D327-R331 PolarHBondContact OD2-NE 3.14Å; D327-R331 IonicContact OD2-NH2 3.2Å; D327-R331 PolarHBondContact OD2-NH2 3.16Å
328	L	97.4	Very high	97.2	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-44.1	172.6	172.8	57.9	0	0	0	112.1	L153 L157 E299 G324 F325 Q330 R331 K332	L153-L328 HydrophobicContact CD2-CD2 4.37Å; L157-L328 HydrophobicContact CD1-CB 4.47Å; L157-L328 HydrophobicContact CD1-CD2 3.58Å; L157-L328 HydrophobicContact CD1-CG 3.83Å; L157-L328 HydrophobicContact CD2-CD2 3.88Å; L157-L328 HydrophobicContact CG-CD2 4.34Å; E299-L328 HydrophobicContact CB-CD2 3.96Å; E299-L328 HydrophobicContact CG-CB 4.27Å; E299-L328 HydrophobicContact CG-CD2 3.82Å; E299-L328 HydrophobicContact CG-CG 4.43Å; E299-L328 WeakPolarHBondContact OE1-CD1 3.26Å; G324-L328 PolarHBondContact O-N 3.37Å; F325-L328 PolarHBondContact O-N 3.37Å; L328-Q330 VanDerWaalsContact C-N 3.35Å; L328-Q330 PolarHBondContact O-N 3.37Å; L328-R331 PolarHBondContact O-N 2.84Å; L328-K332 HydrophobicContact CD1-CD 4.42Å; L328-K332 HydrophobicContact CD1-CG 3.8Å; L328-K332 HydrophobicContact CG-CG 4.48Å; L328-K332 WeakPolarHBondContact O-CB 3.37Å; L328-K332 WeakPolarHBondContact O-CG 3.47Å; L328-K332 PolarHBondContact O-N 2.81Å
329	M	97.9	Very high	97.1	Very high	4 Å²	4	70.4 Å²	70.4	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-45	176.2	-69.7	-174.5	65.5	0	0	111.3	K154 L157 M158 I161 F325 T326 D327 K332 G333 W334 E335 C336	K154-M329 HydrophobicContact CG-CE 4.17Å; L157-M329 HydrophobicContact CB-CG 4.02Å; L157-M329 HydrophobicContact CB-SD 3.88Å; L157-M329 HydrophobicContact CD1-CG 3.74Å; M158-M329 HydrophobicContact CG-CE 3.64Å; M158-M329 HydrophobicContact CG-SD 3.97Å; M158-M329 HydrophobicContact SD-CE 4.07Å; I161-M329 HydrophobicContact CD1-SD 3.81Å; F325-M329 WeakPolarHBondContact O-CG 3.17Å; F325-M329 PolarHBondContact O-N 3.44Å; F325-M329 VanDerWaalsContact O-N 3.1Å; T326-M329 PolarHBondContact O-N 2.76Å; D327-M329 PolarHBondContact O-N 2.64Å; M329-K332 PolarHBondContact O-N 2.68Å; M329-K332 VanDerWaalsContact O-N 3.15Å; M329-G333 PolarHBondContact O-N 3.15Å; M329-W334 HydrophobicContact CB-CB 4.36Å; M329-W334 HydrophobicContact CE-CB 4.33Å; M329-W334 PolarHBondContact O-N 2.88Å; M329-E335 VanDerWaalsContact CE-O 3.31Å; M329-E335 WeakPolarHBondContact CE-O 3.44Å; M329-C336 HydrophobicContact CE-CB 4.03Å
330	Q	97	Very high	97	Very high	157 Å²	157	65.4 Å²	65.4	73%	0.734	32%	0.318	S	S	*	.	H	α-helix	trans	-61.5	-47.2	176.2	-169.8	175.5	8.6	0	0	112.1	T326 D327 L328 K332 G333	T326-Q330 PolarHBondContact O-N 3.21Å; D327-Q330 PolarHBondContact O-N 3.33Å; L328-Q330 VanDerWaalsContact C-N 3.35Å; L328-Q330 PolarHBondContact O-N 3.37Å; Q330-K332 PolarHBondContact O-N 3.47Å; Q330-G333 PolarHBondContact O-N 2.85Å
331	R	97.2	Very high	96.9	Very high	135 Å²	135	62.6 Å²	62.6	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-22	174.7	-76.7	-172	-74.6	116.4	-2.6	113.9	E299 D327 L328	E299-R331 IonicContact OE1-CZ 3.93Å; E299-R331 IonicContact OE1-NH1 2.73Å; E299-R331 PolarHBondContact OE1-NH1 3.24Å; E299-R331 IonicContact OE1-NH2 3.41Å; E299-R331 PolarHBondContact OE1-NH2 3.05Å; E299-R331 VanDerWaalsContact OE1-NH2 3.17Å; D327-R331 WeakPolarHBondContact O-CB 3.38Å; D327-R331 WeakPolarHBondContact O-CG 3.13Å; D327-R331 PolarHBondContact O-N 3.35Å; D327-R331 IonicContact OD1-NE 2.75Å; D327-R331 PolarHBondContact OD1-NE 3.18Å; D327-R331 IonicContact OD2-CZ 2.69Å; D327-R331 IonicContact OD2-NE 2.81Å; D327-R331 PolarHBondContact OD2-NE 3.14Å; D327-R331 IonicContact OD2-NH2 3.2Å; D327-R331 PolarHBondContact OD2-NH2 3.16Å; L328-R331 PolarHBondContact O-N 2.84Å
332	K	97.2	Very high	96.7	Very high	115 Å²	115	62.4 Å²	62.4	50%	0.5	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.3	174.6	-67.3	-70.4	180	-173.1	0	113.6	L328 M329 Q330 W334	L328-K332 HydrophobicContact CD1-CD 4.42Å; L328-K332 HydrophobicContact CD1-CG 3.8Å; L328-K332 HydrophobicContact CG-CG 4.48Å; L328-K332 WeakPolarHBondContact O-CB 3.37Å; L328-K332 WeakPolarHBondContact O-CG 3.47Å; L328-K332 PolarHBondContact O-N 2.81Å; M329-K332 PolarHBondContact O-N 2.68Å; M329-K332 VanDerWaalsContact O-N 3.15Å; Q330-K332 PolarHBondContact O-N 3.47Å; K332-W334 VanDerWaalsContact C-N 3.29Å; K332-W334 HydrophobicContact CB-CD2 3.51Å; K332-W334 HydrophobicContact CB-CE3 3.69Å; K332-W334 HydrophobicContact CB-CG 3.93Å; K332-W334 HydrophobicContact CB-CH2 4.26Å; K332-W334 HydrophobicContact CB-CZ2 4.11Å; K332-W334 HydrophobicContact CB-CZ3 4.06Å; K332-W334 HydrophobicContact CD-CH2 4.31Å; K332-W334 HydrophobicContact CD-CZ2 4.42Å; K332-W334 HydrophobicContact CG-CD2 4.3Å; K332-W334 HydrophobicContact CG-CE3 4.04Å; K332-W334 HydrophobicContact CG-CH2 4.06Å; K332-W334 HydrophobicContact CG-CZ2 4.31Å; K332-W334 HydrophobicContact CG-CZ3 3.92Å
333	G	97.7	Very high	96.3	Very high	70 Å²	70	63.8 Å²	63.8	72%	0.722	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	29.8	-172.6	0	0	0	0	0	112.9	M329 Q330	M329-G333 PolarHBondContact O-N 3.15Å; Q330-G333 PolarHBondContact O-N 2.85Å
334	W	97.6	Very high	95.4	Very high	90 Å²	90	61.5 Å²	61.5	34%	0.341	33%	0.326	S	S	.	.			trans	-104.3	123.8	179.8	-63.4	-20.6	0	0	0	111.4	L153 K154 L157 M329 K332	L153-W334 HydrophobicContact CB-CH2 4.09Å; L153-W334 HydrophobicContact CB-CZ3 4.16Å; L153-W334 HydrophobicContact CD2-CH2 4.23Å; L153-W334 HydrophobicContact CD2-CZ3 4.24Å; L153-W334 HydrophobicContact CG-CH2 4.31Å; L153-W334 HydrophobicContact CG-CZ3 4.05Å; K154-W334 HydrophobicContact CB-CD2 4.08Å; K154-W334 HydrophobicContact CB-CE3 3.8Å; K154-W334 HydrophobicContact CB-CZ3 4.08Å; K154-W334 HydrophobicContact CD-CG 4.47Å; K154-W334 HydrophobicContact CG-CB 4.29Å; K154-W334 HydrophobicContact CG-CD2 4.13Å; K154-W334 HydrophobicContact CG-CE3 4.06Å; K154-W334 HydrophobicContact CG-CG 4.26Å; L157-W334 HydrophobicContact CD1-CE3 4.46Å; L157-W334 HydrophobicContact CD1-CZ3 4.18Å; M329-W334 HydrophobicContact CB-CB 4.36Å; M329-W334 HydrophobicContact CE-CB 4.33Å; M329-W334 PolarHBondContact O-N 2.88Å; K332-W334 VanDerWaalsContact C-N 3.29Å; K332-W334 HydrophobicContact CB-CD2 3.51Å; K332-W334 HydrophobicContact CB-CE3 3.69Å; K332-W334 HydrophobicContact CB-CG 3.93Å; K332-W334 HydrophobicContact CB-CH2 4.26Å; K332-W334 HydrophobicContact CB-CZ2 4.11Å; K332-W334 HydrophobicContact CB-CZ3 4.06Å; K332-W334 HydrophobicContact CD-CH2 4.31Å; K332-W334 HydrophobicContact CD-CZ2 4.42Å; K332-W334 HydrophobicContact CG-CD2 4.3Å; K332-W334 HydrophobicContact CG-CE3 4.04Å; K332-W334 HydrophobicContact CG-CH2 4.06Å; K332-W334 HydrophobicContact CG-CZ2 4.31Å; K332-W334 HydrophobicContact CG-CZ3 3.92Å
335	E	94.5	Very high	94.8	Very high	152 Å²	152	65.9 Å²	65.9	71%	0.71	34%	0.336	S	S	*	.			trans	-72.3	150.2	168.2	-63.1	-175	-178.9	0	0	111.3	K154 M329 D337	K154-E335 VanDerWaalsContact CE-O 3.28Å; K154-E335 WeakPolarHBondContact CE-O 3.46Å; M329-E335 VanDerWaalsContact CE-O 3.31Å; M329-E335 WeakPolarHBondContact CE-O 3.44Å; E335-D337 HydrophobicContact CB-CB 4.45Å; E335-D337 PolarHBondContact O-N 3.47Å; E335-D337 VanDerWaalsContact O-N 3.15Å
336	C	93.3	Very high	94.1	Very high	50 Å²	50	71.1 Å²	71.1	34%	0.338	37%	0.37	S	S	.	.			trans	-87.5	54.8	171.4	-166.9	0	0	0	0	110.6	M329 W338	M329-C336 HydrophobicContact CE-CB 4.03Å; C336-W338 PolarHBondContact O-N 2.94Å; C336-W338 PolarHBondContact O-NE1 3.4Å; C336-W338 WeakPolarHBondContact SG-CH2 3.35Å; C336-W338 VanDerWaalsContact SG-CZ2 3.56Å
337	D	95.1	Very high	93.3	Very high	61 Å²	61	69.6 Å²	69.6	33%	0.326	36%	0.36	S	S	.	.			trans	-71.5	-12.3	-176.4	56.9	14	0	0	0	114.6	K154 E335 E339	K154-D337 WeakPolarHBondContact CE-OD1 3.39Å; K154-D337 IonicContact NZ-OD1 3.47Å; K154-D337 PolarHBondContact NZ-OD1 2.95Å; K154-D337 IonicContact NZ-OD2 3.29Å; K154-D337 PolarHBondContact NZ-OD2 3.36Å; E335-D337 HydrophobicContact CB-CB 4.45Å; E335-D337 PolarHBondContact O-N 3.47Å; E335-D337 VanDerWaalsContact O-N 3.15Å; D337-E339 HydrophobicContact CB-CG 4.23Å; D337-E339 PolarHBondContact O-N 2.82Å; D337-E339 WeakPolarHBondContact OD1-CB 3.49Å; D337-E339 PolarHBondContact OD1-N 2.96Å
338	W	96.3	Very high	92.5	Very high	66 Å²	66	70.2 Å²	70.2	25%	0.25	37%	0.366	C	S	.	.			trans	61.6	28.1	-171.4	-42	103.6	0	0	0	113.7	M158 I161 Q162 R196 C336 F340	M158-W338 HydrophobicContact CB-CE3 3.96Å; M158-W338 HydrophobicContact CB-CZ3 3.95Å; M158-W338 HydrophobicContact CG-CE3 4.3Å; M158-W338 HydrophobicContact CG-CZ3 4.38Å; M158-W338 WeakPolarHBondContact O-CZ3 3.24Å; M158-W338 HydrophobicContact SD-CE3 4.32Å; M158-W338 PolarHBondContact SD-N 2.93Å; I161-W338 HydrophobicContact CG2-CH2 4.1Å; Q162-W338 HydrophobicContact CG-CE3 4.2Å; Q162-W338 HydrophobicContact CG-CH2 3.77Å; Q162-W338 HydrophobicContact CG-CZ3 3.49Å; Q162-W338 VanDerWaalsContact CG-CZ3 3.49Å; R196-W338 HydrophobicContact CB-CB 3.97Å; R196-W338 HydrophobicContact CG-CB 4.31Å; R196-W338 PolarHBondContact NH1-O 2.89Å; C336-W338 PolarHBondContact O-N 2.94Å; C336-W338 PolarHBondContact O-NE1 3.4Å; C336-W338 WeakPolarHBondContact SG-CH2 3.35Å; C336-W338 VanDerWaalsContact SG-CZ2 3.56Å; W338-F340 HydrophobicContact CB-CE2 3.99Å; W338-F340 HydrophobicContact CB-CZ 4.4Å; W338-F340 AromaticContact CE3-CZ 3.93Å; W338-F340 HydrophobicContact CE3-CZ 3.93Å; W338-F340 WeakPolarHBondContact O-CD2 3.5Å; W338-F340 WeakPolarHBondContact O-CE2 3.46Å; W338-F340 PolarHBondContact O-N 3.09Å
339	E	95.6	Very high	91.3	Very high	86 Å²	86	72.7 Å²	72.7	40%	0.402	39%	0.392	S	S	.	.			trans	-86.8	90.7	167.9	-65.8	-64.6	173.6	0	0	110.3	M158 R196 D337 C343	M158-E339 WeakPolarHBondContact CE-O 3.41Å; R196-E339 IonicContact CZ-OE1 2.8Å; R196-E339 VanDerWaalsContact CZ-OE1 3.27Å; R196-E339 IonicContact CZ-OE2 3.78Å; R196-E339 IonicContact NH1-OE1 2.72Å; R196-E339 PolarHBondContact NH1-OE1 2.86Å; R196-E339 IonicContact NH1-OE2 3.1Å; R196-E339 PolarHBondContact NH1-OE2 3.45Å; R196-E339 VanDerWaalsContact NH2-CD 3.31Å; R196-E339 IonicContact NH2-OE1 3.43Å; R196-E339 PolarHBondContact NH2-OE1 3.47Å; R196-E339 IonicContact NH2-OE2 3.51Å; R196-E339 PolarHBondContact NH2-OE2 2.84Å; D337-E339 HydrophobicContact CB-CG 4.23Å; D337-E339 PolarHBondContact O-N 2.82Å; D337-E339 WeakPolarHBondContact OD1-CB 3.49Å; D337-E339 PolarHBondContact OD1-N 2.96Å; E339-C343 WeakPolarHBondContact OE2-CB 3.35Å
340	F	96.7	Very high	89.9	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.026	41%	0.411	C	S	.	.			trans	-83.5	162.7	179.7	-55.4	-83.3	0	0	0	112.3	T155 M158 I159 I198 W338 W342 C343	T155-F340 HydrophobicContact CG2-CB 4.39Å; T155-F340 HydrophobicContact CG2-CD1 4.1Å; T155-F340 WeakPolarHBondContact OG1-CA 3.42Å; M158-F340 HydrophobicContact CB-CD1 4.25Å; M158-F340 HydrophobicContact CB-CE1 3.56Å; M158-F340 HydrophobicContact CB-CZ 4.24Å; M158-F340 HydrophobicContact CE-CD1 3.93Å; M158-F340 HydrophobicContact CE-CE1 4.2Å; M158-F340 HydrophobicContact CE-CG 4.4Å; I159-F340 HydrophobicContact CG1-CD1 4.42Å; I159-F340 HydrophobicContact CG1-CE1 4.09Å; I198-F340 HydrophobicContact CD1-CZ 4.5Å; W338-F340 HydrophobicContact CB-CE2 3.99Å; W338-F340 HydrophobicContact CB-CZ 4.4Å; W338-F340 AromaticContact CE3-CZ 3.93Å; W338-F340 HydrophobicContact CE3-CZ 3.93Å; W338-F340 WeakPolarHBondContact O-CD2 3.5Å; W338-F340 WeakPolarHBondContact O-CE2 3.46Å; W338-F340 PolarHBondContact O-N 3.09Å; F340-W342 HydrophobicContact CB-CD2 3.61Å; F340-W342 HydrophobicContact CB-CE3 3.87Å; F340-W342 HydrophobicContact CB-CG 4.26Å; F340-W342 HydrophobicContact CB-CH2 3.76Å; F340-W342 HydrophobicContact CB-CZ2 3.49Å; F340-W342 VanDerWaalsContact CB-CZ2 3.49Å; F340-W342 HydrophobicContact CB-CZ3 3.93Å; F340-W342 AromaticContact CD1-CH2 3.61Å; F340-W342 HydrophobicContact CD1-CH2 3.61Å; F340-W342 AromaticContact CD1-CZ2 3.73Å; F340-W342 HydrophobicContact CD1-CZ2 3.73Å; F340-W342 HydrophobicContact CD1-CZ3 4.31Å; F340-W342 AromaticContact CD2-CE2 3.9Å; F340-W342 HydrophobicContact CD2-CH2 4.29Å; F340-W342 AromaticContact CD2-CZ2 3.55Å; F340-W342 HydrophobicContact CD2-CZ2 3.55Å; F340-W342 HydrophobicContact CE1-CH2 4.19Å; F340-W342 HydrophobicContact CE1-CZ2 4.27Å; F340-W342 HydrophobicContact CE2-CZ2 4.13Å; F340-W342 HydrophobicContact CG-CD2 4.4Å; F340-W342 AromaticContact CG-CE2 3.72Å; F340-W342 AromaticContact CG-CH2 3.65Å; F340-W342 HydrophobicContact CG-CH2 3.65Å; F340-W342 AromaticContact CG-CZ2 3.32Å; F340-W342 HydrophobicContact CG-CZ2 3.32Å; F340-W342 HydrophobicContact CG-CZ3 4.3Å; F340-W342 HydrophobicContact CZ-CZ2 4.45Å; F340-W342 PolarHBondContact O-N 2.94Å; F340-C343 WeakPolarHBondContact O-CB 3.42Å; F340-C343 PolarHBondContact O-N 3.19Å
341	D	96.4	Very high	87.8	Confident	35 Å²	35	72.8 Å²	72.8	19%	0.187	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.4	-176.5	-53.2	-24.5	0	0	0	114.7	F151 S152 T155 R345	F151-D341 WeakPolarHBondContact CA-OD2 3.43Å; S152-D341 VanDerWaalsContact CB-OD1 3.32Å; S152-D341 WeakPolarHBondContact CB-OD1 3.13Å; S152-D341 PolarHBondContact N-OD2 2.99Å; S152-D341 PolarHBondContact OG-OD1 2.86Å; S152-D341 PolarHBondContact OG-OD2 3Å; T155-D341 WeakPolarHBondContact CB-OD1 3.49Å; T155-D341 WeakPolarHBondContact CB-OD2 3.5Å; T155-D341 PolarHBondContact OG1-N 2.91Å; T155-D341 PolarHBondContact OG1-OD1 3.09Å; T155-D341 PolarHBondContact OG1-OD2 3.04Å; D341-R345 WeakPolarHBondContact O-CD 3.26Å; D341-R345 PolarHBondContact O-NE 2.87Å
342	W	93.7	Very high	85.2	Confident	1 Å²	1	71 Å²	71	0%	0.004	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-15.3	177.5	60	78	0	0	0	114	L140 L143 F151 T155 I159 I187 F340 S344 R345 L347	L140-W342 HydrophobicContact CD2-CH2 3.83Å; L140-W342 HydrophobicContact CD2-CZ2 4.44Å; L140-W342 HydrophobicContact CD2-CZ3 4.37Å; L143-W342 HydrophobicContact CB-CD2 4.27Å; L143-W342 HydrophobicContact CB-CE3 4.07Å; L143-W342 HydrophobicContact CD1-CD2 3.99Å; L143-W342 HydrophobicContact CD1-CE3 4.34Å; L143-W342 HydrophobicContact CD1-CG 4.43Å; L143-W342 HydrophobicContact CD1-CH2 4.45Å; L143-W342 HydrophobicContact CD1-CZ2 4.11Å; L143-W342 HydrophobicContact CD2-CB 3.92Å; L143-W342 HydrophobicContact CD2-CD2 4.12Å; L143-W342 HydrophobicContact CD2-CG 3.75Å; L143-W342 HydrophobicContact CG-CD2 4.36Å; L143-W342 HydrophobicContact CG-CG 4.48Å; F151-W342 HydrophobicContact CD1-CE3 4.41Å; F151-W342 HydrophobicContact CD1-CZ3 4.35Å; F151-W342 HydrophobicContact CD2-CZ3 4.47Å; F151-W342 AromaticContact CE1-CE3 3.67Å; F151-W342 HydrophobicContact CE1-CE3 3.67Å; F151-W342 AromaticContact CE1-CZ3 3.75Å; F151-W342 HydrophobicContact CE1-CZ3 3.75Å; F151-W342 AromaticContact CE2-CZ3 3.91Å; F151-W342 HydrophobicContact CE2-CZ3 3.91Å; F151-W342 AromaticContact CZ-CE3 3.8Å; F151-W342 HydrophobicContact CZ-CE3 3.8Å; F151-W342 AromaticContact CZ-CZ3 3.5Å; F151-W342 HydrophobicContact CZ-CZ3 3.5Å; T155-W342 HydrophobicContact CG2-CE3 4.36Å; T155-W342 HydrophobicContact CG2-CH2 4.28Å; T155-W342 HydrophobicContact CG2-CZ3 3.68Å; I159-W342 HydrophobicContact CD1-CH2 3.92Å; I159-W342 HydrophobicContact CD1-CZ3 4.06Å; I159-W342 HydrophobicContact CG1-CH2 4.08Å; I187-W342 HydrophobicContact CG2-CZ2 4.13Å; F340-W342 HydrophobicContact CB-CD2 3.61Å; F340-W342 HydrophobicContact CB-CE3 3.87Å; F340-W342 HydrophobicContact CB-CG 4.26Å; F340-W342 HydrophobicContact CB-CH2 3.76Å; F340-W342 HydrophobicContact CB-CZ2 3.49Å; F340-W342 VanDerWaalsContact CB-CZ2 3.49Å; F340-W342 HydrophobicContact CB-CZ3 3.93Å; F340-W342 AromaticContact CD1-CH2 3.61Å; F340-W342 HydrophobicContact CD1-CH2 3.61Å; F340-W342 AromaticContact CD1-CZ2 3.73Å; F340-W342 HydrophobicContact CD1-CZ2 3.73Å; F340-W342 HydrophobicContact CD1-CZ3 4.31Å; F340-W342 AromaticContact CD2-CE2 3.9Å; F340-W342 HydrophobicContact CD2-CH2 4.29Å; F340-W342 AromaticContact CD2-CZ2 3.55Å; F340-W342 HydrophobicContact CD2-CZ2 3.55Å; F340-W342 HydrophobicContact CE1-CH2 4.19Å; F340-W342 HydrophobicContact CE1-CZ2 4.27Å; F340-W342 HydrophobicContact CE2-CZ2 4.13Å; F340-W342 HydrophobicContact CG-CD2 4.4Å; F340-W342 AromaticContact CG-CE2 3.72Å; F340-W342 AromaticContact CG-CH2 3.65Å; F340-W342 HydrophobicContact CG-CH2 3.65Å; F340-W342 AromaticContact CG-CZ2 3.32Å; F340-W342 HydrophobicContact CG-CZ2 3.32Å; F340-W342 HydrophobicContact CG-CZ3 4.3Å; F340-W342 HydrophobicContact CZ-CZ2 4.45Å; F340-W342 PolarHBondContact O-N 2.94Å; W342-S344 PolarHBondContact O-N 3.17Å; W342-R345 WeakPolarHBondContact O-CB 3.12Å; W342-R345 PolarHBondContact O-N 2.54Å; W342-L347 HydrophobicContact CB-CD2 4.42Å; W342-L347 HydrophobicContact CG-CD2 4.42Å
343	C	89.8	Confident	82.5	Confident	39 Å²	39	72.2 Å²	72.2	26%	0.264	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.9	-179.6	-68.7	0	0	0	0	112.6	E339 F340 R345	E339-C343 WeakPolarHBondContact OE2-CB 3.35Å; F340-C343 WeakPolarHBondContact O-CB 3.42Å; F340-C343 PolarHBondContact O-N 3.19Å; C343-R345 VanDerWaalsContact C-N 3.33Å
344	S	80.6	Confident	79.9	Confident	102 Å²	102	72 Å²	72	71%	0.713	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	11	172.9	57.7	0	0	0	0	114.1	W342	W342-S344 PolarHBondContact O-N 3.17Å
345	R	84.6	Confident	77	Confident	115 Å²	115	71 Å²	71	43%	0.434	43%	0.427	S	S	.	.	S	Bend	trans	-128.5	150.7	-173.4	-54.5	-178.1	-172.7	-78	-9.8	111.3	D341 W342 C343 L347	D341-R345 WeakPolarHBondContact O-CD 3.26Å; D341-R345 PolarHBondContact O-NE 2.87Å; W342-R345 WeakPolarHBondContact O-CB 3.12Å; W342-R345 PolarHBondContact O-N 2.54Å; C343-R345 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 3.32Å; R345-L347 VanDerWaalsContact O-N 3.16Å
346	P	82.5	Confident	74.3	Confident	112 Å²	112	69.8 Å²	69.8	73%	0.727	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-59.4	118.5	164.6	-20.5	32.9	0	0	0	109.7
347	L	82.5	Confident	71.8	Confident	26 Å²	26	75.3 Å²	75.3	14%	0.136	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-62.6	145.3	179.9	-63.4	178.8	0	0	0	110.8	L143 I187 Q190 W342 R345 G349 S350	L143-L347 HydrophobicContact CD2-CD2 3.92Å; I187-L347 HydrophobicContact CD1-CD1 4.07Å; I187-L347 HydrophobicContact CD1-CD2 4.22Å; Q190-L347 HydrophobicContact CB-CD1 4.23Å; W342-L347 HydrophobicContact CB-CD2 4.42Å; W342-L347 HydrophobicContact CG-CD2 4.42Å; R345-L347 PolarHBondContact O-N 3.32Å; R345-L347 VanDerWaalsContact O-N 3.16Å; L347-G349 PolarHBondContact O-N 2.97Å; L347-S350 PolarHBondContact N-OG 2.96Å; L347-S350 VanDerWaalsContact O-CB 3.32Å; L347-S350 WeakPolarHBondContact O-CB 3.39Å; L347-S350 PolarHBondContact O-N 3.37Å; L347-S350 PolarHBondContact O-OG 3.33Å
348	P	78.4	Confident	68.9	Low	50 Å²	50	79 Å²	79	33%	0.325	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	125.3	172.5	-28.8	35.2	0	0	0	112.3	P138 D142	P138-P348 HydrophobicContact CB-CB 4.25Å; P138-P348 HydrophobicContact CB-CG 4.38Å; D142-P348 HydrophobicContact CB-CB 4.44Å; D142-P348 HydrophobicContact CB-CG 4.33Å
349	G	73.8	Confident	66.2	Low	54 Å²	54	81.2 Å²	81.2	56%	0.557	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-17.3	-177.2	0	0	0	0	0	115.6	L347 K351	L347-G349 PolarHBondContact O-N 2.97Å; G349-K351 PolarHBondContact O-N 3.04Å
350	S	67.4	Low	63.2	Low	60 Å²	60	80.8 Å²	80.8	42%	0.42	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-62.6	135.4	177.9	62.8	0	0	0	0	112.3	L347	L347-S350 PolarHBondContact N-OG 2.96Å; L347-S350 VanDerWaalsContact O-CB 3.32Å; L347-S350 WeakPolarHBondContact O-CB 3.39Å; L347-S350 PolarHBondContact O-N 3.37Å; L347-S350 PolarHBondContact O-OG 3.33Å
351	K	52.9	Low	60.3	Low	104 Å²	104	83.9 Å²	83.9	45%	0.452	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-67.8	140.6	168	-76.9	-173.6	174.5	-175.9	0	109.7	G349	G349-K351 PolarHBondContact O-N 3.04Å
352	P	42.8	Very low	57.4	Low	97 Å²	97	91.2 Å²	91.2	63%	0.63	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-64.2	138.9	169.3	28.3	-34	0	0	0	110.3	G354	P352-G354 PolarHBondContact O-N 3.05Å
353	P	40.4	Very low	54.8	Low	140 Å²	140	95.3 Å²	95.3	91%	0.909	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	105.9	174.3	28.1	-33	0	0	0	109.2
354	G	42.3	Very low	52.6	Low	67 Å²	67	99.9 Å²	99.9	69%	0.691	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.4	-16.9	-179.1	0	0	0	0	0	115.9	P352 T356	P352-G354 PolarHBondContact O-N 3.05Å; G354-T356 PolarHBondContact O-N 2.9Å
355	S	36.7	Very low	50.8	Low	68 Å²	68	101.8 Å²	101.8	48%	0.476	65%	0.65	S	S	.	*			trans	-82.5	58.6	177.4	76.4	0	0	0	0	112.9	H357	S355-H357 PolarHBondContact O-N 3.29Å
356	T	38.4	Very low	49	Very low	126 Å²	126	101.8 Å²	101.8	77%	0.773	67%	0.665	S	S	*	*			trans	-67.8	116.9	162.8	30.1	0	0	0	0	108.5	G354 T358	G354-T356 PolarHBondContact O-N 2.9Å; T356-T358 PolarHBondContact O-N 2.83Å; T356-T358 VanDerWaalsContact O-N 3.12Å
357	H	40.9	Very low	46.8	Very low	167 Å²	167	102.2 Å²	102.2	77%	0.773	67%	0.668	S	S	*	*			trans	-68.3	110.7	170.2	-80.4	-90.9	0	0	0	108.8	S355 S359	S355-H357 PolarHBondContact O-N 3.29Å; H357-S359 PolarHBondContact O-N 3.42Å
358	T	35.1	Very low	44.9	Very low	138 Å²	138	108.9 Å²	108.9	85%	0.847	70%	0.703	S	S	*	*			trans	-66.5	87.7	158.9	34.5	0	0	0	0	108.5	T356 G360	T356-T358 PolarHBondContact O-N 2.83Å; T356-T358 VanDerWaalsContact O-N 3.12Å; T358-G360 PolarHBondContact O-N 3.49Å; T358-G360 VanDerWaalsContact O-N 3.08Å
359	S	39	Very low	43.2	Very low	112 Å²	112	112.5 Å²	112.5	78%	0.783	72%	0.724	S	S	*	*			trans	-54.3	114.8	167.4	-63.9	0	0	0	0	108.5	H357 G361	H357-S359 PolarHBondContact O-N 3.42Å; S359-G361 VanDerWaalsContact C-N 3.26Å; S359-G361 PolarHBondContact O-N 2.95Å
360	G	32.9	Very low	41.4	Very low	78 Å²	78	117.1 Å²	117.1	80%	0.804	74%	0.736	S	S	*	*			trans	-70.4	75.7	-175.2	0	0	0	0	0	112.7	T358 Q362	T358-G360 PolarHBondContact O-N 3.49Å; T358-G360 VanDerWaalsContact O-N 3.08Å; G360-Q362 PolarHBondContact O-N 2.79Å
361	G	35.4	Very low	40.1	Very low	71 Å²	71	120.9 Å²	120.9	73%	0.732	76%	0.756	S	S	*	*			trans	-64.8	117.2	169.5	0	0	0	0	0	109.9	S359 A363	S359-G361 VanDerWaalsContact C-N 3.26Å; S359-G361 PolarHBondContact O-N 2.95Å; G361-A363 PolarHBondContact O-N 2.84Å
362	Q	35	Very low	39.3	Very low	188 Å²	188	120.8 Å²	120.8	88%	0.879	77%	0.766	S	S	*	*			trans	-71	99.5	178.3	-70	174	-35.3	0	0	110	G360 V364	G360-Q362 PolarHBondContact O-N 2.79Å; Q362-V364 PolarHBondContact O-N 2.95Å
363	A	39.4	Very low	38.9	Very low	88 Å²	88	123.2 Å²	123.2	73%	0.727	78%	0.779	S	S	*	*			trans	-74.1	107.2	168.9	0	0	0	0	0	109.4	G361 N365	G361-A363 PolarHBondContact O-N 2.84Å; A363-N365 PolarHBondContact O-N 3.03Å
364	V	43.1	Very low	38.7	Very low	134 Å²	134	120.4 Å²	120.4	81%	0.812	78%	0.775	S	S	*	*			trans	-82	104.8	177.9	-178.3	0	0	0	0	109.2	Q362	Q362-V364 PolarHBondContact O-N 2.95Å
365	N	43.7	Very low	38.4	Very low	142 Å²	142	125 Å²	125	76%	0.759	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-83.7	125.4	174.4	-72.1	-25.1	0	0	0	110.9	A363	A363-N365 PolarHBondContact O-N 3.03Å
366	P	46.8	Very low	38.4	Very low	116 Å²	116	125.8 Å²	125.8	75%	0.753	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74.2	142.6	161.6	31.9	-32.4	0	0	0	110
367	P	36.1	Very low	38.3	Very low	121 Å²	121	125.2 Å²	125.2	79%	0.786	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-86.3	145.4	177.6	34	-33.6	0	0	0	111.9
368	L	42.5	Very low	38	Very low	166 Å²	166	121.9 Å²	121.9	87%	0.869	79%	0.791	S	S	*	*			trans	-160.5	118.3	149.5	-108.5	167.2	0	0	0	112.3
369	T	42.3	Very low	38.2	Very low	125 Å²	125	123.2 Å²	123.2	77%	0.767	79%	0.789	S	S	*	*			trans	-11.7	146.5	166.9	52.4	0	0	0	0	123.1
370	N	36.7	Very low	38.3	Very low	151 Å²	151	123.7 Å²	123.7	81%	0.807	78%	0.783	S	S	*	*			trans	-35.1	158.2	157.1	-54.7	-18.3	0	0	0	115.2
371	V	39.1	Very low	38.7	Very low	140 Å²	140	126.7 Å²	126.7	85%	0.848	78%	0.781	S	S	*	*				-159	155.1	68.6	161.4	0	0	0	0	111.4
372	P	36.5	Very low	38.8	Very low	101 Å²	101	126.3 Å²	126.3	66%	0.656	78%	0.776	S	S	*	*			trans	-118.1	179.6	-162	43.4	-32.9	0	0	0	117.6
373	T	35.7	Very low	39	Very low	148 Å²	148	123.2 Å²	123.2	91%	0.908	77%	0.77	S	S	*	*			trans	76.1	136.2	164.4	62.1	0	0	0	0	119.6
374	G	36.4	Very low	39.1	Very low	81 Å²	81	127 Å²	127	84%	0.835	77%	0.773	S	S	*	*			trans	172.6	54.7	-177	0	0	0	0	0	118.2
375	N	35.1	Very low	38.7	Very low	165 Å²	165	127.4 Å²	127.4	88%	0.882	77%	0.77	S	S	*	*			trans	5.2	137.7	164.4	-79.2	-4.1	0	0	0	124.7
376	A	37.6	Very low	38.3	Very low	84 Å²	84	125.8 Å²	125.8	69%	0.694	77%	0.765	S	S	*	*				91.1	132.9	127.1	0	0	0	0	0	124.4
377	S	35.8	Very low	37.8	Very low	114 Å²	114	126 Å²	126	80%	0.797	77%	0.77	S	S	*	*			trans	66.2	147.6	145.4	47.6	0	0	0	0	121
378	C	34.5	Very low	37.7	Very low	97 Å²	97	123.5 Å²	123.5	66%	0.655	77%	0.766	S	S	*	*			cis	-167.6	169.5	-10.3	50	0	0	0	0	112.3
379	M	39.5	Very low	37.2	Very low	165 Å²	165	123.6 Å²	123.6	81%	0.813	77%	0.767	S	S	*	*			trans	69.3	151.8	154.9	-72.2	160.1	178.3	0	0	118.5
380	N	39.6	Very low	36.9	Very low	123 Å²	123	124.3 Å²	124.3	66%	0.658	77%	0.771	S	S	*	*			cis	-156.7	158.6	-4.3	-133.1	-0.6	0	0	0	114.2
381	N	41.4	Very low	36.9	Very low	141 Å²	141	122.3 Å²	122.3	75%	0.754	77%	0.769	S	S	*	*			trans	55.6	143.7	155.4	-59.5	-22.8	0	0	0	121
382	G	37.8	Very low	37	Very low	62 Å²	62	121 Å²	121	64%	0.639	76%	0.763	S	S	*	*			cis	-163.3	151.4	-4.4	0	0	0	0	0	111
383	V	38.9	Very low	36.8	Very low	123 Å²	123	121.7 Å²	121.7	75%	0.745	77%	0.765	S	S	*	*				75.4	129.5	74.7	173.8	0	0	0	0	111.6
384	Q	41.3	Very low	36.8	Very low	169 Å²	169	122 Å²	122	79%	0.79	76%	0.756	S	S	*	*			cis	-130.5	156.7	11	-106.3	123.2	16.7	0	0	110.4
385	N	34.7	Very low	36.8	Very low	141 Å²	141	126 Å²	126	75%	0.754	75%	0.753	S	S	*	*				67.3	140.9	59.1	-84.5	15.9	0	0	0	115.3
386	T	35.7	Very low	37.3	Very low	108 Å²	108	123.2 Å²	123.2	66%	0.663	74%	0.744	S	S	*	*			cis	-169.9	156.1	-2.8	13.4	0	0	0	0	112.9
387	S	36.5	Very low	37.3	Very low	121 Å²	121	124.9 Å²	124.9	85%	0.846	75%	0.745	S	S	*	*			trans	59.1	151.1	150	58.7	0	0	0	0	121.6
388	G	34	Very low	37.4	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	75%	0.747	S	S	*	*			cis	168.4	169.5	-7	0	0	0	0	0	114.6
389	L	31.7	Very low	37.7	Very low	169 Å²	169	125.9 Å²	125.9	89%	0.885	75%	0.753	S	S	*	*			trans	38.9	119.2	155.7	-64.4	164.8	0	0	0	121.3
390	T	37.2	Very low	37.7	Very low	140 Å²	140	123.2 Å²	123.2	86%	0.859	74%	0.742	S	S	*	*				175.3	161.5	112	30.7	0	0	0	0	114.3
391	S	36	Very low	37.7	Very low	109 Å²	109	126 Å²	126	76%	0.762	75%	0.751	S	S	*	*			trans	-126	170.3	161.6	-54.3	0	0	0	0	106.4
392	P	40.5	Very low	37.6	Very low	112 Å²	112	126.3 Å²	126.3	73%	0.727	75%	0.748	S	S	*	*			cis	-154.9	-175.1	36.6	43.1	-19.1	0	0	0	118.8
393	T	33.7	Very low	37.9	Very low	115 Å²	115	128.6 Å²	128.6	71%	0.706	75%	0.754	S	S	*	*			trans	32.2	146.7	145.8	56.5	0	0	0	0	126.2
394	H	34.6	Very low	38.3	Very low	154 Å²	154	128.6 Å²	128.6	71%	0.713	76%	0.756	S	S	*	*			trans	91.9	120	148.8	-76.9	-63	0	0	0	122.4
395	H	35.8	Very low	38.2	Very low	165 Å²	165	123.9 Å²	123.9	76%	0.764	75%	0.754	S	S	*	*				34.5	163.1	127.7	-66.2	-27.8	0	0	0	123.3
396	P	46.3	Very low	38.6	Very low	107 Å²	107	124.3 Å²	124.3	70%	0.695	76%	0.761	S	S	*	*			cis	-145.6	-163	-42.7	42.9	-23.9	0	0	0	113.9
397	V	38.4	Very low	38.7	Very low	120 Å²	120	127.1 Å²	127.1	73%	0.727	77%	0.772	S	S	*	*			trans	86.9	131.9	144.3	156.8	0	0	0	0	123.1
398	N	37.5	Very low	38.8	Very low	156 Å²	156	125.3 Å²	125.3	83%	0.834	77%	0.773	S	S	*	*			trans	65.4	130.5	154.6	-76.1	-1.2	0	0	0	125.7
399	G	40.8	Very low	38.9	Very low	75 Å²	75	125.3 Å²	125.3	77%	0.773	77%	0.773	S	S	*	*			trans	-140.1	163.8	144	0	0	0	0	0	109.2
400	N	38.5	Very low	39.3	Very low	110 Å²	110	125.7 Å²	125.7	59%	0.588	77%	0.769	S	S	*	*			trans	-152.7	128.6	-170.7	168.4	73.6	0	0	0	115.8	Q402	N400-Q402 PolarHBondContact ND2-NE2 2.86Å; N400-Q402 VanDerWaalsContact ND2-NE2 3.12Å; N400-Q402 PolarHBondContact OD1-NE2 2.87Å
401	Q	40.9	Very low	39.4	Very low	181 Å²	181	127.1 Å²	127.1	85%	0.846	77%	0.766	S	S	*	*			trans	-170.8	118.2	147.2	-99.7	144.7	94.7	0	0	106.8
402	Q	39.7	Very low	39.4	Very low	148 Å²	148	125.7 Å²	125.7	69%	0.692	76%	0.761	S	S	*	*				71.1	135.5	58.9	-62.2	-178.9	6.9	0	0	112	N400	N400-Q402 PolarHBondContact ND2-NE2 2.86Å; N400-Q402 VanDerWaalsContact ND2-NE2 3.12Å; N400-Q402 PolarHBondContact OD1-NE2 2.87Å
403	S	43.9	Very low	39.1	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	77%	0.771	S	S	*	*			cis	-149	-179.2	26.9	-110.4	0	0	0	0	113.8
404	P	46.3	Very low	39.2	Very low	123 Å²	123	127.7 Å²	127.7	80%	0.799	78%	0.776	S	S	*	*			trans	-131.4	175.7	-141.7	45.9	-34.4	0	0	0	119.1
405	G	39.1	Very low	39.3	Very low	71 Å²	71	128 Å²	128	73%	0.732	78%	0.781	S	S	*	*				117.1	133.4	124.9	0	0	0	0	0	120.4
406	V	42.7	Very low	39.2	Very low	150 Å²	150	126.8 Å²	126.8	91%	0.909	79%	0.786	S	S	*	*				169.9	157	119.3	158.4	0	0	0	0	110.3
407	N	38.6	Very low	38.8	Very low	166 Å²	166	125.5 Å²	125.5	89%	0.888	79%	0.792	S	S	*	*			trans	-112.7	161.7	-158.6	-69.2	-41	0	0	0	116.6
408	G	38.5	Very low	38.7	Very low	84 Å²	84	126.4 Å²	126.4	87%	0.866	80%	0.798	S	S	*	*			trans	118	143.9	147.2	0	0	0	0	0	116.6
409	G	35.9	Very low	38.8	Very low	68 Å²	68	124.8 Å²	124.8	70%	0.701	80%	0.796	S	S	*	*			cis	160.8	151.7	-11.7	0	0	0	0	0	115.3
410	H	40.9	Very low	38.4	Very low	176 Å²	176	129 Å²	129	82%	0.815	80%	0.8	S	S	*	*			trans	81.5	111.6	158.3	-63.2	-98.1	0	0	0	124
411	H	39.2	Very low	38.4	Very low	170 Å²	170	132.2 Å²	132.2	79%	0.787	82%	0.816	S	S	*	*				69.2	106.6	126.2	-76.9	-101.2	0	0	0	125.4
412	A	36.5	Very low	38.2	Very low	79 Å²	79	130.7 Å²	130.7	65%	0.653	81%	0.814	S	S	*	*				82.6	121.3	105.8	0	0	0	0	0	124.5
413	M	33.8	Very low	38.1	Very low	193 Å²	193	129.3 Å²	129.3	95%	0.951	82%	0.818	S	S	*	*			trans	60.2	119.8	132.4	-58.4	-72.1	-88.7	0	0	121.3
414	G	35	Very low	37.7	Very low	77 Å²	77	127.9 Å²	127.9	79%	0.794	82%	0.82	S	S	*	*			trans	-178.3	62.3	172.7	0	0	0	0	0	119.4
415	L	36.3	Very low	37.2	Very low	159 Å²	159	127.7 Å²	127.7	83%	0.832	82%	0.817	S	S	*	*			trans	31.5	138.8	151.6	-67.4	173.6	0	0	0	124.5
416	T	35.1	Very low	37.1	Very low	141 Å²	141	129.6 Å²	129.6	87%	0.865	82%	0.819	S	S	*	*			trans	69.9	131.7	146.1	50.7	0	0	0	0	121.9
417	G	36.9	Very low	36.8	Very low	80 Å²	80	130.6 Å²	130.6	83%	0.825	81%	0.813	S	S	*	*			trans	146.7	90.2	162.4	0	0	0	0	0	115.4
418	T	36.3	Very low	36.9	Very low	138 Å²	138	133.6 Å²	133.6	85%	0.847	81%	0.812	S	S	*	*			trans	-103.8	151.5	162.5	50.1	0	0	0	0	110.2
419	P	39.5	Very low	36.9	Very low	123 Å²	123	134.5 Å²	134.5	80%	0.799	80%	0.803	S	S	*	*				-141.9	-179.6	107	38.7	-25.4	0	0	0	114.4
420	L	33.4	Very low	36.8	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	81%	0.809	S	S	*	*			trans	-71.7	160.3	178.3	-68.9	65.9	0	0	0	112.6
421	L	38.4	Very low	36.6	Very low	177 Å²	177	135.3 Å²	135.3	93%	0.927	81%	0.809	S	S	*	*			trans	-157.4	161.5	145	-109.9	166.5	0	0	0	111.4
422	D	36	Very low	36.3	Very low	149 Å²	149	131 Å²	131	80%	0.797	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77	161.6	-165.2	-96.6	-44	0	0	0	116.2
423	P	38.5	Very low	36	Very low	119 Å²	119	136.7 Å²	136.7	77%	0.773	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-76.9	122.6	171.3	32.1	-31.7	0	0	0	111.6
424	G	35	Very low	36.1	Very low	78 Å²	78	132.8 Å²	132.8	80%	0.804	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.4	135.7	-175.3	0	0	0	0	0	115.2
425	T	35.9	Very low	36	Very low	120 Å²	120	136.5 Å²	136.5	74%	0.736	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.9	128.4	173.2	47.5	0	0	0	0	112.9	H427	T425-H427 PolarHBondContact O-N 3.3Å
426	S	37.2	Very low	35.7	Very low	110 Å²	110	137 Å²	137	77%	0.769	82%	0.82	S	S	*	*			trans	-93.4	87	170.8	43.3	0	0	0	0	112
427	H	35	Very low	35.7	Very low	171 Å²	171	136.5 Å²	136.5	79%	0.792	82%	0.817	S	S	*	*			trans	-72	129	171.1	-84.4	-71.7	0	0	0	111.9	T425	T425-H427 PolarHBondContact O-N 3.3Å
428	W	41.6	Very low	35.4	Very low	229 Å²	229	138.1 Å²	138.1	87%	0.867	81%	0.813	S	S	*	*			trans	-107	148.5	158.8	-72.9	92.5	0	0	0	109.8
429	P	39.5	Very low	34.9	Very low	103 Å²	103	136.7 Å²	136.7	67%	0.669	81%	0.809	S	S	*	*			trans	-82.9	142.2	-170	32.3	-34.9	0	0	0	113.3
430	P	32.3	Very low	34.5	Very low	127 Å²	127	141.8 Å²	141.8	83%	0.825	81%	0.814	S	S	*	*			trans	-95.4	112.3	172.2	34.2	-29.6	0	0	0	111.9
431	T	37.6	Very low	34.3	Very low	134 Å²	134	140.3 Å²	140.3	82%	0.822	81%	0.806	S	S	*	*			trans	-141.6	118.5	171.3	50.9	0	0	0	0	111.1
432	G	32.6	Very low	34	Very low	79 Å²	79	139.8 Å²	139.8	81%	0.814	80%	0.804	S	S	*	*			trans	171.6	38	-177.3	0	0	0	0	0	115.4
433	Q	30.1	Very low	33.7	Very low	199 Å²	199	140.9 Å²	140.9	93%	0.93	80%	0.804	S	S	*	*			trans	-83.5	129.8	170.8	-73	-177.1	-12	0	0	110.6
434	S	35.2	Very low	33.6	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	81%	0.811	S	S	*	*			trans	-137.5	97.1	167.3	48.2	0	0	0	0	111.9
435	N	33.4	Very low	33.4	Very low	155 Å²	155	143 Å²	143	83%	0.829	81%	0.808	S	S	*	*			trans	34.3	128.9	146.9	-59.7	-14.2	0	0	0	121.3
436	N	30.4	Very low	33	Very low	168 Å²	168	141 Å²	141	90%	0.898	81%	0.81	S	S	*	*			trans	-56	150.6	163.4	-62.5	-39.5	0	0	0	112.7
437	V	34.3	Very low	32.7	Very low	132 Å²	132	142.4 Å²	142.4	80%	0.8	81%	0.814	S	S	*	*			trans	-125.1	137	157.6	-179.9	0	0	0	0	107.6
438	P	31.4	Very low	32.7	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.5	152.4	-174.8	-18.9	33	0	0	0	114.3
439	S	26.6	Very low	32.4	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.4	137.2	169.1	52.1	0	0	0	0	112.3
440	Y	29.7	Very low	32.1	Very low	229 Å²	229	136 Å²	136	90%	0.898	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-103.3	137.8	155.5	-95.9	-91.7	0	0	0	109.9
441	I	30.4	Very low	31.9	Very low	134 Å²	134	138 Å²	138	69%	0.687	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-91.7	142	174.5	-60.8	165.5	0	0	0	107.8	E443	I441-E443 HydrophobicContact CG2-CG 4.29Å
442	N	32.3	Very low	31.6	Very low	166 Å²	166	136.5 Å²	136.5	89%	0.888	80%	0.796	S	S	*	*			trans	-140.9	142.5	149.7	-85.4	-42.2	0	0	0	107.5
443	E	29.8	Very low	31.2	Very low	171 Å²	171	143.1 Å²	143.1	80%	0.799	80%	0.797	S	S	*	*			trans	-97.8	-173.7	177.5	-60.4	-174.5	117.8	0	0	110.4	I441	I441-E443 HydrophobicContact CG2-CG 4.29Å
444	D	34.9	Very low	31.3	Very low	171 Å²	171	142.5 Å²	142.5	91%	0.914	79%	0.787	S	S	*	*			trans	64.6	140.3	-173.1	-54.9	-34.4	0	0	0	115.3
445	G	31.8	Very low	31	Very low	72 Å²	72	145.3 Å²	145.3	74%	0.742	79%	0.785	S	S	*	*			cis	-169.8	175.4	-4.5	0	0	0	0	0	109.7
446	G	27.8	Very low	30.9	Very low	76 Å²	76	144.7 Å²	144.7	78%	0.784	79%	0.787	S	S	*	*			trans	-63.4	167.1	178.4	0	0	0	0	0	113.7
447	T	30.9	Very low	31	Very low	140 Å²	140	142.7 Å²	142.7	86%	0.859	78%	0.776	S	S	*	*			cis	-166.5	158.6	32.1	49.2	0	0	0	0	113.6
448	S	33.6	Very low	30.7	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	78%	0.779	S	S	*	*			trans	70.9	138.1	157.6	-163	0	0	0	0	118.8
449	P	36	Very low	30.7	Very low	122 Å²	122	150.3 Å²	150.3	79%	0.792	79%	0.785	S	S	*	*			trans	-76.4	145.7	176.1	31.7	-35.4	0	0	0	112.9
450	N	33.7	Very low	30.9	Very low	141 Å²	141	153.1 Å²	153.1	75%	0.754	79%	0.791	S	S	*	*			trans	-81.6	134	-174	-75	-58.4	0	0	0	114.7	I452	N450-I452 VanDerWaalsContact C-N 3.34Å; N450-I452 HydrophobicContact CB-CD1 4.08Å; N450-I452 HydrophobicContact CB-CG1 3.46Å; N450-I452 VanDerWaalsContact CB-CG1 3.46Å; N450-I452 PolarHBondContact O-N 2.93Å; N450-I452 VanDerWaalsContact O-N 3.14Å
451	E	27.9	Very low	31.2	Very low	171 Å²	171	146.6 Å²	146.6	80%	0.799	78%	0.777	S	S	*	*			trans	-80.2	73.8	161.8	-170.1	-167.6	165.7	0	0	110.2	R453	E451-R453 PolarHBondContact O-N 3.46Å
452	I	30.9	Very low	31.2	Very low	102 Å²	102	145.8 Å²	145.8	52%	0.523	78%	0.783	S	S	.	*			trans	-78.6	89.4	-176	-39.5	177.3	0	0	0	112.1	N450 Y454	N450-I452 VanDerWaalsContact C-N 3.34Å; N450-I452 HydrophobicContact CB-CD1 4.08Å; N450-I452 HydrophobicContact CB-CG1 3.46Å; N450-I452 VanDerWaalsContact CB-CG1 3.46Å; N450-I452 PolarHBondContact O-N 2.93Å; N450-I452 VanDerWaalsContact O-N 3.14Å; I452-Y454 VanDerWaalsContact C-N 3.32Å; I452-Y454 HydrophobicContact CB-CD2 4.18Å; I452-Y454 HydrophobicContact CB-CE2 3.77Å; I452-Y454 HydrophobicContact CD1-CE2 4.42Å; I452-Y454 HydrophobicContact CG2-CD1 4.25Å; I452-Y454 HydrophobicContact CG2-CD2 3.71Å; I452-Y454 HydrophobicContact CG2-CE1 3.88Å; I452-Y454 HydrophobicContact CG2-CE2 3.29Å; I452-Y454 HydrophobicContact CG2-CG 4.17Å; I452-Y454 PolarHBondContact O-N 3.15Å
453	R	25.1	Very low	31.2	Very low	218 Å²	218	148.6 Å²	148.6	82%	0.823	78%	0.783	S	S	*	*			trans	-78.4	72.3	176.5	-169.1	176.8	-176.8	168.8	0	111.8	E451 K455	E451-R453 PolarHBondContact O-N 3.46Å; R453-K455 PolarHBondContact O-N 3.06Å
454	Y	31	Very low	31.3	Very low	185 Å²	185	150.5 Å²	150.5	73%	0.725	79%	0.789	S	S	*	*			trans	-60.3	131.5	176.4	-71.7	-74.6	0	0	0	112.2	I452	I452-Y454 VanDerWaalsContact C-N 3.32Å; I452-Y454 HydrophobicContact CB-CD2 4.18Å; I452-Y454 HydrophobicContact CB-CE2 3.77Å; I452-Y454 HydrophobicContact CD1-CE2 4.42Å; I452-Y454 HydrophobicContact CG2-CD1 4.25Å; I452-Y454 HydrophobicContact CG2-CD2 3.71Å; I452-Y454 HydrophobicContact CG2-CE1 3.88Å; I452-Y454 HydrophobicContact CG2-CE2 3.29Å; I452-Y454 HydrophobicContact CG2-CG 4.17Å; I452-Y454 PolarHBondContact O-N 3.15Å
455	K	28.5	Very low	30.9	Very low	171 Å²	171	145.5 Å²	145.5	74%	0.743	78%	0.777	S	S	*	*			trans	-71.3	146.7	166.6	-72.6	179.1	174.5	-179.8	0	110	R453 D457	R453-K455 PolarHBondContact O-N 3.06Å; K455-D457 PolarHBondContact O-N 2.79Å
456	V	31.8	Very low	30.7	Very low	142 Å²	142	151 Å²	151	86%	0.861	78%	0.784	S	S	*	*			trans	-92.3	86.2	166.4	-177.9	0	0	0	0	107
457	D	32.1	Very low	31	Very low	126 Å²	126	156.8 Å²	156.8	67%	0.674	79%	0.79	S	S	*	*			trans	-79.3	142.4	175.2	-64.8	-37.6	0	0	0	110.4	K455 Y459	K455-D457 PolarHBondContact O-N 2.79Å; D457-Y459 PolarHBondContact O-N 2.8Å
458	E	28.3	Very low	31.1	Very low	185 Å²	185	155.9 Å²	155.9	86%	0.864	78%	0.784	S	S	*	*			trans	-83.5	115.6	-163.7	-62.4	179.1	111.6	0	0	113.2
459	Y	31.2	Very low	30.8	Very low	220 Å²	220	157.2 Å²	157.2	86%	0.863	79%	0.788	S	S	*	*			trans	-137.1	97.8	161	-89.1	-79.9	0	0	0	111.7	D457 P461	D457-Y459 PolarHBondContact O-N 2.8Å; Y459-P461 WeakPolarHBondContact O-CD 3.47Å
460	L	31.6	Very low	30.8	Very low	169 Å²	169	158.8 Å²	158.8	89%	0.885	79%	0.79	S	S	*	*			trans	-99.3	108.9	163.9	-76.9	173.1	0	0	0	109.4	S462	L460-S462 PolarHBondContact O-N 3.35Å
461	P	35.3	Very low	30.6	Very low	92 Å²	92	160.6 Å²	160.6	60%	0.597	79%	0.794	S	S	*	*			trans	-70.3	118.6	169.2	-16.5	31.5	0	0	0	110.1	Y459 Y463	Y459-P461 WeakPolarHBondContact O-CD 3.47Å; P461-Y463 HydrophobicContact CB-CD2 4.32Å; P461-Y463 PolarHBondContact O-N 2.98Å
462	S	31	Very low	30.8	Very low	117 Å²	117	159.2 Å²	159.2	82%	0.818	80%	0.798	S	S	*	*			trans	-74.7	82.3	178.4	56	0	0	0	0	111.7	L460 F464	L460-S462 PolarHBondContact O-N 3.35Å; S462-F464 PolarHBondContact O-N 2.72Å
463	Y	33	Very low	30.7	Very low	225 Å²	225	161.1 Å²	161.1	88%	0.882	81%	0.807	S	S	*	*			trans	-78.3	87.7	172.5	-98.8	-83.7	0	0	0	111.6	P461	P461-Y463 HydrophobicContact CB-CD2 4.32Å; P461-Y463 PolarHBondContact O-N 2.98Å
464	F	30.4	Very low	31.2	Very low	211 Å²	211	159.7 Å²	159.7	93%	0.925	81%	0.812	S	S	*	*			trans	-135.7	110.3	167.7	-133.1	-79.5	0	0	0	108.5	S462	S462-F464 PolarHBondContact O-N 2.72Å
465	G	28.4	Very low	31	Very low	65 Å²	65	159.4 Å²	159.4	67%	0.67	82%	0.817	S	S	*	*			trans	150.3	140.7	176	0	0	0	0	0	114.9
466	Q	27.5	Very low	31.5	Very low	188 Å²	188	156.4 Å²	156.4	88%	0.879	82%	0.824	S	S	*	*			trans	55.8	86.5	160.1	-55.8	-176.2	8.2	0	0	117.5
467	Q	32.6	Very low	31.3	Very low	198 Å²	198	153 Å²	153	93%	0.925	82%	0.818	S	S	*	*			trans	-93.8	128.8	132.1	-80.6	-169.4	-20.2	0	0	108.3
468	T	32.6	Very low	31.4	Very low	120 Å²	120	155.4 Å²	155.4	74%	0.736	83%	0.83	S	S	*	*			trans	-80.4	141.7	177.5	42	0	0	0	0	111.1	N470	T468-N470 PolarHBondContact O-N 3.05Å
469	T	28.8	Very low	31.5	Very low	133 Å²	133	154.9 Å²	154.9	82%	0.816	83%	0.832	S	S	*	*			trans	-78.5	107.5	175.8	49.6	0	0	0	0	110.8
470	N	35.4	Very low	31.6	Very low	156 Å²	156	148.4 Å²	148.4	83%	0.834	83%	0.832	S	S	*	*			trans	-80.9	128.1	161.9	-85.6	-13.2	0	0	0	109.8	T468	T468-N470 PolarHBondContact O-N 3.05Å
471	Q	28.7	Very low	31.7	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	83%	0.826	S	S	*	*			trans	-77.2	146.8	178.5	-64.6	173	-15.9	0	0	111
472	T	33.1	Very low	31.7	Very low	142 Å²	142	148.1 Å²	148.1	87%	0.871	84%	0.839	S	S	*	*			trans	-138.4	131.2	155.5	-63.9	0	0	0	0	107.9
473	I	29	Very low	31.9	Very low	142 Å²	142	151.1 Å²	151.1	73%	0.728	84%	0.838	S	S	*	*			trans	-85.3	130.7	-169.5	-62.3	163.2	0	0	0	109.6
474	M	34.6	Very low	31.8	Very low	187 Å²	187	148.1 Å²	148.1	92%	0.921	84%	0.835	S	S	*	*			trans	-140.7	145.5	155.1	-97.6	-60.8	-171.4	0	0	109.5
475	H	28.3	Very low	32	Very low	180 Å²	180	141.6 Å²	141.6	83%	0.833	83%	0.828	S	S	*	*			trans	-124.4	105.4	-152.4	-171.1	-83	0	0	0	112.2
476	A	37.8	Very low	32.3	Very low	107 Å²	107	144.2 Å²	144.2	88%	0.884	84%	0.835	S	S	*	*			trans	-151.9	124.3	167	0	0	0	0	0	108.9
477	G	28.5	Very low	33.5	Very low	71 Å²	71	140 Å²	140	73%	0.732	82%	0.824	S	S	*	*			trans	-130.1	160.5	179.6	0	0	0	0	0	111.7
478	L	33.1	Very low	33.8	Very low	176 Å²	176	136.4 Å²	136.4	92%	0.921	81%	0.811	S	S	*	*			trans	-156.2	161.3	156.5	-111.9	161.2	0	0	0	110
479	L	30.8	Very low	34.2	Very low	175 Å²	175	137.6 Å²	137.6	92%	0.916	81%	0.814	S	S	*	*			trans	-97	152	-161.1	-65.2	153.8	0	0	0	112.2
480	G	34.2	Very low	34.7	Very low	84 Å²	84	134.5 Å²	134.5	87%	0.866	81%	0.808	S	S	*	*			trans	168.3	97.7	169.8	0	0	0	0	0	112.7
481	A	33.1	Very low	34.8	Very low	91 Å²	91	134.3 Å²	134.3	75%	0.752	81%	0.805	S	S	*	*			trans	-113.6	143.5	178.9	0	0	0	0	0	111
482	N	36	Very low	35.2	Very low	163 Å²	163	131.4 Å²	131.4	87%	0.872	80%	0.799	S	S	*	*			trans	-162.8	131.3	139.4	-104.8	-28.6	0	0	0	115.4
483	K	33.7	Very low	35.5	Very low	181 Å²	181	131.1 Å²	131.1	79%	0.787	79%	0.793	S	S	*	*			trans	-31.5	161.7	144.1	-77.7	173	176.6	-178.9	0	114.4
484	I	31.9	Very low	35.9	Very low	161 Å²	161	131 Å²	131	83%	0.826	79%	0.794	S	S	*	*			cis	-160.9	161.4	22.1	-120.4	148.9	0	0	0	108.7
485	G	34.2	Very low	36.1	Very low	75 Å²	75	128.1 Å²	128.1	77%	0.773	79%	0.786	S	S	*	*			trans	158	122.4	160.7	0	0	0	0	0	117.4
486	S	34.1	Very low	36.3	Very low	119 Å²	119	122.6 Å²	122.6	83%	0.832	78%	0.778	S	S	*	*			trans	-166.2	-177.2	173.5	-146.3	0	0	0	0	107.2
487	P	52.6	Low	36.7	Very low	100 Å²	100	122.9 Å²	122.9	65%	0.649	77%	0.771	S	S	*	*			cis	-132.3	-167.2	-9.2	25.6	0.7	0	0	0	113
488	N	39.7	Very low	37	Very low	122 Å²	122	126.3 Å²	126.3	65%	0.652	78%	0.778	S	S	*	*				171.2	145.8	115.5	-101.1	36.9	0	0	0	118.2
489	D	40.3	Very low	37.3	Very low	146 Å²	146	121.8 Å²	121.8	78%	0.781	77%	0.774	S	S	*	*			trans	68.7	135.7	143.9	-53.4	-25	0	0	0	126.1
490	G	38.9	Very low	37.7	Very low	67 Å²	67	121 Å²	121	69%	0.691	78%	0.776	S	S	*	*			trans	125.5	62.6	162.5	0	0	0	0	0	117.3
491	I	38.4	Very low	37.9	Very low	153 Å²	153	120.4 Å²	120.4	79%	0.785	77%	0.77	S	S	*	*				68.1	94.1	93.7	-65.9	176.9	0	0	0	114.2
492	V	36.9	Very low	38.2	Very low	118 Å²	118	119.8 Å²	119.8	72%	0.715	77%	0.772	S	S	*	*				56.1	150.7	91	-87	0	0	0	0	117.7
493	D	38.6	Very low	38.4	Very low	136 Å²	136	119.4 Å²	119.4	73%	0.727	78%	0.775	S	S	*	*			cis	-160.5	159.2	21.4	-128.3	-25.9	0	0	0	119.1
494	D	37.5	Very low	38.6	Very low	140 Å²	140	114.5 Å²	114.5	75%	0.749	78%	0.776	S	S	*	*			trans	70	155	134.6	-134.9	4.8	0	0	0	130.4
495	V	39.1	Very low	39	Very low	125 Å²	125	112.2 Å²	112.2	76%	0.758	78%	0.781	S	S	*	*			trans	74	134.3	156.9	-128.1	0	0	0	0	125.9
496	G	32.8	Very low	39	Very low	65 Å²	65	112.1 Å²	112.1	67%	0.67	78%	0.78	S	S	*	*			trans	-101.7	-135.5	160.2	0	0	0	0	0	113
497	P	45.4	Very low	39.2	Very low	113 Å²	113	113.8 Å²	113.8	73%	0.734	79%	0.785	S	S	*	*			cis	-142.4	178.1	1.6	43.1	-23.9	0	0	0	117.6
498	T	36.7	Very low	38.4	Very low	143 Å²	143	113.2 Å²	113.2	88%	0.877	79%	0.789	S	S	*	*			trans	53.7	130.6	152.7	50.2	0	0	0	0	123.7
499	G	39.2	Very low	38.3	Very low	81 Å²	81	116.3 Å²	116.3	84%	0.835	80%	0.801	S	S	*	*			trans	-171.2	133.6	161.6	0	0	0	0	0	113.4
500	V	39.3	Very low	38.6	Very low	158 Å²	158	115 Å²	115	96%	0.958	80%	0.801	S	S	*	*			trans	-100.6	145	-164.9	-177.4	0	0	0	0	113.7
501	G	38.4	Very low	38.4	Very low	72 Å²	72	118.2 Å²	118.2	74%	0.742	81%	0.807	S	S	*	*			trans	-175.7	131.6	164	0	0	0	0	0	114.7
502	G	39.1	Very low	38.4	Very low	77 Å²	77	116.8 Å²	116.8	79%	0.794	81%	0.811	S	S	*	*			trans	-82.2	-178.7	171.7	0	0	0	0	0	112.8
503	V	40.6	Very low	38.3	Very low	156 Å²	156	119 Å²	119	95%	0.945	82%	0.818	S	S	*	*			cis	-146.8	173.4	19.7	-73.4	0	0	0	0	110.9
504	G	37.1	Very low	38.3	Very low	77 Å²	77	117.9 Å²	117.9	79%	0.794	82%	0.822	S	S	*	*			trans	-151.8	175.9	176.4	0	0	0	0	0	114.2
505	A	41	Very low	38.4	Very low	114 Å²	114	117 Å²	117	94%	0.942	83%	0.826	S	S	*	*			trans	-153.9	147.2	168.9	0	0	0	0	0	109.8
506	G	33.9	Very low	38.2	Very low	73 Å²	73	115 Å²	115	75%	0.753	83%	0.831	S	S	*	*			trans	-151.5	149.7	174.4	0	0	0	0	0	110.6
507	V	37.9	Very low	38.4	Very low	154 Å²	154	119.8 Å²	119.8	93%	0.933	84%	0.84	S	S	*	*			trans	-138.5	146.2	179.7	-176.6	0	0	0	0	108.8
508	A	36.3	Very low	38.4	Very low	88 Å²	88	119.6 Å²	119.6	73%	0.727	84%	0.839	S	S	*	*			trans	-110.1	176	-170.8	0	0	0	0	0	113.7
509	M	37.1	Very low	38.4	Very low	186 Å²	186	123.5 Å²	123.5	92%	0.916	84%	0.84	S	S	*	*			trans	-56.9	153.8	168.6	-64.5	-79.6	-160.1	0	0	112.7
510	P	47.1	Very low	38.3	Very low	120 Å²	120	123.3 Å²	123.3	78%	0.779	84%	0.837	S	S	*	*			trans	-129.1	157.7	142.8	37.4	-27.7	0	0	0	113.6
511	T	34	Very low	38.5	Very low	134 Å²	134	121.9 Å²	121.9	82%	0.822	83%	0.831	S	S	*	*			trans	-120.3	151.5	168.6	52.5	0	0	0	0	110
512	S	39	Very low	38.5	Very low	123 Å²	123	122.5 Å²	122.5	86%	0.86	84%	0.838	S	S	*	*			trans	-175.1	160.6	161.2	22.2	0	0	0	0	112.7
513	N	33.8	Very low	38.3	Very low	163 Å²	163	123 Å²	123	87%	0.872	84%	0.843	S	S	*	*			trans	-112.5	151.2	-178.8	-80.6	-29.3	0	0	0	112.3
514	S	38.8	Very low	37.9	Very low	114 Å²	114	120.4 Å²	120.4	80%	0.797	84%	0.838	S	S	*	*			trans	-177.7	129.6	147.2	24.3	0	0	0	0	108.1
515	S	39.7	Very low	37.9	Very low	121 Å²	121	124 Å²	124	85%	0.846	84%	0.844	S	S	*	*			cis	100.1	104.5	31.7	72.3	0	0	0	0	113.3
516	G	36	Very low	37.5	Very low	83 Å²	83	124.2 Å²	124.2	86%	0.856	84%	0.839	S	S	*	*			trans	176.1	110.5	174.9	0	0	0	0	0	115.5
517	L	36.8	Very low	37.6	Very low	165 Å²	165	124.5 Å²	124.5	86%	0.864	84%	0.842	S	S	*	*			trans	-83	-169.4	174.3	-71.5	164	0	0	0	111.4
518	P	45.3	Very low	37.4	Very low	110 Å²	110	123.3 Å²	123.3	71%	0.714	84%	0.835	S	S	*	*			cis	-139.9	168.6	0	23.4	3.2	0	0	0	119
519	Y	37.1	Very low	37.2	Very low	225 Å²	225	127 Å²	127	88%	0.882	84%	0.842	S	S	*	*			trans	20.4	143.1	143.7	-86.5	-100.7	0	0	0	124.9
520	G	36.8	Very low	37.1	Very low	76 Å²	76	123 Å²	123	78%	0.784	84%	0.839	S	S	*	*			trans	172	107.7	151.1	0	0	0	0	0	115.2
521	P	42.6	Very low	36.4	Very low	128 Å²	128	121 Å²	121	83%	0.831	84%	0.84	S	S	*	*			trans	-115.5	157.8	-177.1	39.6	-31.1	0	0	0	115.5
522	G	37.6	Very low	36.2	Very low	85 Å²	85	118.3 Å²	118.3	88%	0.876	84%	0.839	S	S	*	*			trans	154.2	149.6	161.6	0	0	0	0	0	115.6
523	G	35.5	Very low	36	Very low	89 Å²	89	119.2 Å²	119.2	92%	0.918	84%	0.84	S	S	*	*			trans	123.3	94.5	169.3	0	0	0	0	0	114.9
524	A	32.7	Very low	36	Very low	100 Å²	100	120 Å²	120	83%	0.826	84%	0.838	S	S	*	*			trans	-122.4	139	174	0	0	0	0	0	110.9
525	V	37.1	Very low	35.8	Very low	152 Å²	152	121.6 Å²	121.6	92%	0.921	84%	0.836	S	S	*	*			trans	-140.9	132.7	163.4	-175.5	0	0	0	0	108.1
526	S	33	Very low	35.3	Very low	119 Å²	119	126.8 Å²	126.8	83%	0.832	84%	0.837	S	S	*	*			trans	-97.7	150.4	175.5	47.7	0	0	0	0	111.3
527	G	35.5	Very low	35.2	Very low	79 Å²	79	129.5 Å²	129.5	81%	0.814	83%	0.832	S	S	*	*			trans	-158.1	94.2	-179.4	0	0	0	0	0	112.1
528	T	33.2	Very low	35	Very low	129 Å²	129	127.6 Å²	127.6	79%	0.791	83%	0.827	S	S	*	*			trans	-86.6	135.6	176	49.5	0	0	0	0	111.5
529	N	33.7	Very low	34.1	Very low	166 Å²	166	128.9 Å²	128.9	89%	0.888	83%	0.833	S	S	*	*				-165	158.2	124	-110.7	-31.6	0	0	0	113.9
530	A	34.3	Very low	33.9	Very low	101 Å²	101	121.9 Å²	121.9	84%	0.835	83%	0.829	S	S	*	*			trans	-93.6	156.8	172.5	0	0	0	0	0	111.2
531	G	33	Very low	33.5	Very low	79 Å²	79	125.7 Å²	125.7	81%	0.814	83%	0.831	S	S	*	*			trans	177.4	98.2	174.8	0	0	0	0	0	110.5
532	G	29.6	Very low	32.9	Very low	78 Å²	78	131 Å²	131	80%	0.804	84%	0.836	S	S	*	*			trans	-98.1	153.2	178.1	0	0	0	0	0	112.3
533	T	33.8	Very low	32.4	Very low	142 Å²	142	132.3 Å²	132.3	87%	0.871	83%	0.832	S	S	*	*			trans	-144.3	132.9	169.7	-0.3	0	0	0	0	111
534	H	33.9	Very low	32.2	Very low	180 Å²	180	132 Å²	132	83%	0.833	83%	0.828	S	S	*	*			trans	-67.3	137.9	165.5	-93.3	-69.5	0	0	0	110.3
535	I	34.2	Very low	32.1	Very low	147 Å²	147	131.1 Å²	131.1	75%	0.754	83%	0.829	S	S	*	*			trans	-125.7	117	149	-63.6	-177.2	0	0	0	108.2
536	R	30.2	Very low	31.7	Very low	230 Å²	230	127.2 Å²	127.2	87%	0.868	82%	0.82	S	S	*	*			trans	-91.2	132.7	153.8	-74.8	177.2	172.1	165.8	-3.5	107
537	N	32.5	Very low	31.6	Very low	139 Å²	139	127.9 Å²	127.9	74%	0.743	82%	0.821	S	S	*	*			trans	-147.4	117.4	152.1	-95.9	-25.9	0	0	0	105.4
538	V	32.6	Very low	31.6	Very low	126 Å²	126	133.3 Å²	133.3	76%	0.764	83%	0.825	S	S	*	*				108.4	129.1	59	150.4	0	0	0	0	107.2
539	T	27.5	Very low	31.4	Very low	136 Å²	136	135.3 Å²	135.3	83%	0.834	83%	0.826	S	S	*	*			trans	-70.7	126.4	-174.7	45.5	0	0	0	0	112.1
540	G	31.7	Very low	31.1	Very low	79 Å²	79	132.9 Å²	132.9	81%	0.814	82%	0.822	S	S	*	*			trans	-103.6	112.7	163.4	0	0	0	0	0	110.4
541	L	28.9	Very low	30.7	Very low	156 Å²	156	134.2 Å²	134.2	82%	0.817	81%	0.813	S	S	*	*			trans	-82.2	127.4	168.3	-77.1	164.4	0	0	0	109.3
542	Y	31.1	Very low	30.4	Very low	238 Å²	238	134.2 Å²	134.2	93%	0.933	81%	0.805	S	S	*	*			trans	-137.7	130.4	155.9	-107	-86.1	0	0	0	109.2
543	S	26.9	Very low	30.4	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	80%	0.796	S	S	*	*			trans	-117.5	131.8	179.5	-55.6	0	0	0	0	109.1
544	G	31.4	Very low	30.1	Very low	82 Å²	82	140 Å²	140	85%	0.845	79%	0.794	S	S	*	*			trans	172.1	125.7	173.1	0	0	0	0	0	114.7
545	G	29.8	Very low	30	Very low	82 Å²	82	136.5 Å²	136.5	85%	0.845	78%	0.78	S	S	*	*			trans	95.6	112.9	154.8	0	0	0	0	0	117.8
546	G	29.1	Very low	29.7	Very low	70 Å²	70	136 Å²	136	72%	0.722	78%	0.779	S	S	*	*			trans	87.5	112.4	143.9	0	0	0	0	0	118.4
547	P	31.4	Very low	29.7	Very low	133 Å²	133	130 Å²	130	86%	0.864	76%	0.764	S	S	*	*			trans	-87	112.7	151.5	32.9	-25.3	0	0	0	109.5
548	E	34.3	Very low	29.6	Very low	193 Å²	193	130.1 Å²	130.1	90%	0.902	77%	0.765	S	S	*	*			trans	-109.1	138.8	164.5	-72.5	-156.4	138.5	0	0	110.8	S550	E548-S550 PolarHBondContact O-N 2.77Å
549	E	28.8	Very low	29.5	Very low	171 Å²	171	132.6 Å²	132.6	80%	0.799	77%	0.773	S	S	*	*			trans	-78	123.2	-162.5	-60.7	-179.2	122.7	0	0	112.8	M551	E549-M551 PolarHBondContact O-N 3.36Å
550	S	27.1	Very low	29.4	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	77%	0.768	S	S	*	*			trans	-70.9	89.4	168.2	57.6	0	0	0	0	110.4	E548 A552	E548-S550 PolarHBondContact O-N 2.77Å; S550-A552 PolarHBondContact O-N 2.67Å
551	M	26.2	Very low	29.4	Very low	129 Å²	129	134.8 Å²	134.8	64%	0.635	77%	0.774	S	S	*	*			trans	-66.2	75.2	174.4	-83.9	-155	177.7	0	0	112.7	E549 R553	E549-M551 PolarHBondContact O-N 3.36Å; M551-R553 VanDerWaalsContact C-N 3.29Å; M551-R553 HydrophobicContact CB-CG 4.42Å; M551-R553 PolarHBondContact O-N 2.68Å; M551-R553 HydrophobicContact SD-CG 4.45Å; M551-R553 PolarHBondContact SD-NE 3.36Å; M551-R553 VanDerWaalsContact SD-NE 3.42Å; M551-R553 PolarHBondContact SD-NH2 3.12Å
552	A	27.2	Very low	29.3	Very low	79 Å²	79	130.5 Å²	130.5	65%	0.653	77%	0.767	S	S	*	*			trans	-68	90.5	152.8	0	0	0	0	0	108	S550 E554	S550-A552 PolarHBondContact O-N 2.67Å; A552-E554 VanDerWaalsContact C-N 3.27Å; A552-E554 PolarHBondContact O-N 2.86Å
553	R	29.1	Very low	29.5	Very low	163 Å²	163	126.4 Å²	126.4	62%	0.615	77%	0.767	S	S	*	*			trans	-74.4	82.7	175.1	-72	-171.4	-177.3	166.4	2.6	110.9	M551	M551-R553 VanDerWaalsContact C-N 3.29Å; M551-R553 HydrophobicContact CB-CG 4.42Å; M551-R553 PolarHBondContact O-N 2.68Å; M551-R553 HydrophobicContact SD-CG 4.45Å; M551-R553 PolarHBondContact SD-NE 3.36Å; M551-R553 VanDerWaalsContact SD-NE 3.42Å; M551-R553 PolarHBondContact SD-NH2 3.12Å
554	E	28.1	Very low	29.7	Very low	178 Å²	178	124.6 Å²	124.6	83%	0.832	77%	0.766	S	S	*	*			trans	-54.1	141.8	147	-64.6	179.2	137.7	0	0	108.6	A552	A552-E554 VanDerWaalsContact C-N 3.27Å; A552-E554 PolarHBondContact O-N 2.86Å
555	I	32	Very low	29.6	Very low	107 Å²	107	129.9 Å²	129.9	55%	0.549	77%	0.771	S	S	.	*			trans	-118.6	85.2	170.5	-59.2	179.3	0	0	0	106.2	R94	R94-I555 HydrophobicContact CB-CD1 4.18Å
556	D	27	Very low	29.9	Very low	135 Å²	135	130.9 Å²	130.9	72%	0.722	77%	0.771	S	S	*	*			trans	-119.6	71.9	172	-157.1	3.4	0	0	0	108.5	N558	D556-N558 PolarHBondContact O-N 2.79Å
557	D	30.2	Very low	30	Very low	104 Å²	104	133.4 Å²	133.4	56%	0.556	77%	0.772	S	S	*	*			trans	-76.5	87.6	179.6	-79.7	-7.9	0	0	0	109.7	R94 L559	R94-D557 IonicContact CZ-OD1 2.71Å; R94-D557 VanDerWaalsContact CZ-OD1 3.23Å; R94-D557 IonicContact CZ-OD2 2.76Å; R94-D557 VanDerWaalsContact CZ-OD2 3.26Å; R94-D557 IonicContact NH1-OD1 3.24Å; R94-D557 PolarHBondContact NH1-OD1 3.38Å; R94-D557 IonicContact NH1-OD2 3.54Å; R94-D557 PolarHBondContact NH1-OD2 3.16Å; R94-D557 IonicContact NH2-OD1 2.73Å; R94-D557 PolarHBondContact NH2-OD1 3.32Å; R94-D557 IonicContact NH2-OD2 3.15Å; R94-D557 PolarHBondContact NH2-OD2 3.08Å; D557-L559 PolarHBondContact O-N 2.92Å
558	N	30.2	Very low	30.3	Very low	143 Å²	143	133 Å²	133	77%	0.765	77%	0.768	S	S	*	*			trans	-57.5	128.4	176.1	-98.5	-76.5	0	0	0	112.7	D556 G560	D556-N558 PolarHBondContact O-N 2.79Å; N558-G560 PolarHBondContact O-N 3.19Å
559	L	30.9	Very low	30.3	Very low	178 Å²	178	132.4 Å²	132.4	93%	0.932	77%	0.765	S	S	*	*			trans	-86.5	94.2	166.6	-87.4	169.3	0	0	0	110.2	D557	D557-L559 PolarHBondContact O-N 2.92Å
560	G	25.5	Very low	30.7	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	77%	0.769	S	S	*	*			trans	-80.1	130.7	175.6	0	0	0	0	0	113.6	N558	N558-G560 PolarHBondContact O-N 3.19Å
561	M	32.2	Very low	31.3	Very low	191 Å²	191	130.3 Å²	130.3	94%	0.941	77%	0.769	S	S	*	*			trans	-143.1	153.4	157.7	-91.5	-66.3	177.2	0	0	108.8
562	G	27.2	Very low	32.2	Very low	66 Å²	66	129.7 Å²	129.7	68%	0.68	78%	0.775	S	S	*	*			trans	-71.1	-173.3	172.9	0	0	0	0	0	112.9
563	V	34.1	Very low	32.7	Very low	152 Å²	152	133.9 Å²	133.9	92%	0.921	78%	0.781	S	S	*	*			cis	-156.8	150.4	26.3	176.8	0	0	0	0	110.5
564	G	32.7	Very low	33	Very low	75 Å²	75	132.7 Å²	132.7	77%	0.773	79%	0.787	S	S	*	*			trans	98.5	134.1	144.5	0	0	0	0	0	118.1
565	M	29.3	Very low	33.5	Very low	193 Å²	193	128.4 Å²	128.4	95%	0.951	78%	0.782	S	S	*	*			trans	-99.5	143.5	171.7	-69.5	170.9	148.6	0	0	111.6
566	A	35.2	Very low	33.7	Very low	102 Å²	102	130.7 Å²	130.7	84%	0.843	80%	0.8	S	S	*	*			trans	-158.9	160.5	144.1	0	0	0	0	0	108.7
567	T	32.4	Very low	34	Very low	123 Å²	123	127.9 Å²	127.9	76%	0.755	80%	0.803	S	S	*	*			trans	-135.3	173.6	-159.5	50.1	0	0	0	0	114.6
568	T	37	Very low	34	Very low	126 Å²	126	129.4 Å²	129.4	77%	0.773	82%	0.816	S	S	*	*			trans	71.1	152.3	171.9	65.9	0	0	0	0	116.9
569	E	33.1	Very low	34.1	Very low	180 Å²	180	130.7 Å²	130.7	84%	0.841	82%	0.818	S	S	*	*			cis	164.4	120.4	-36.3	-107.5	-175.2	174.4	0	0	106.9
570	S	38.6	Very low	34.1	Very low	126 Å²	126	129.5 Å²	129.5	88%	0.881	81%	0.807	S	S	*	*			trans	171.4	167	150.9	35.8	0	0	0	0	110.6
571	S	40.1	Very low	34.5	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	81%	0.807	S	S	*	*			trans	-120.8	-158.9	-161.3	-50.2	0	0	0	0	113.1
572	P	43.2	Very low	34.3	Very low	115 Å²	115	130.2 Å²	130.2	75%	0.747	80%	0.798	S	S	*	*				-124.3	176	-110.1	36.9	-18	0	0	0	114.7
573	E	38.5	Very low	34.6	Very low	167 Å²	167	135.1 Å²	135.1	78%	0.78	81%	0.807	S	S	*	*				161.6	148.8	125.3	-89.9	-163.2	177	0	0	114.8
574	N	36.5	Very low	34.3	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	80%	0.798	S	S	*	*			trans	63.1	117.3	149.9	-72.2	-46.4	0	0	0	123.7
575	A	37.6	Very low	34.2	Very low	87 Å²	87	137.5 Å²	137.5	72%	0.719	80%	0.801	S	S	*	*			trans	89.3	101.7	130.6	0	0	0	0	0	122.5
576	V	35.3	Very low	34.2	Very low	155 Å²	155	136.8 Å²	136.8	94%	0.939	80%	0.796	S	S	*	*			trans	57.8	100.5	135.7	-168.2	0	0	0	0	118.8
577	G	33.9	Very low	34.1	Very low	76 Å²	76	137.5 Å²	137.5	78%	0.784	79%	0.794	S	S	*	*			trans	-158.5	149.8	160.3	0	0	0	0	0	110.2
578	V	30.3	Very low	33.9	Very low	137 Å²	137	135.5 Å²	135.5	83%	0.83	80%	0.798	S	S	*	*			trans	-118.7	121	-175.4	178.5	0	0	0	0	109.7
579	E	32.5	Very low	33.6	Very low	170 Å²	170	135.3 Å²	135.3	79%	0.794	80%	0.8	S	S	*	*				-176.4	142.2	129.6	-106.5	170.2	169.2	0	0	114.5
580	Q	31	Very low	33.6	Very low	152 Å²	152	133.4 Å²	133.4	71%	0.71	81%	0.805	S	S	*	*			trans	58.9	150.8	144.5	-84.7	-170.7	-107.7	0	0	126.7
581	D	33.2	Very low	33.2	Very low	134 Å²	134	130.1 Å²	130.1	72%	0.717	79%	0.791	S	S	*	*			trans	81.4	145.4	150.4	-61	-3.4	0	0	0	124.1
582	D	28.9	Very low	32.7	Very low	142 Å²	142	126.8 Å²	126.8	76%	0.759	77%	0.767	S	S	*	*			trans	-50.1	152	-165.9	-70.8	-50.2	0	0	0	119.3
583	I	32.8	Very low	32.1	Very low	169 Å²	169	127.3 Å²	127.3	87%	0.867	76%	0.758	S	S	*	*				-168.3	147.5	107	-96	157.3	0	0	0	111.2
584	Q	28.1	Very low	31.5	Very low	159 Å²	159	123 Å²	123	74%	0.743	76%	0.759	S	S	*	*			trans	-97.1	138.3	-176.8	-61.9	179.2	-2.2	0	0	113
585	S	30.8	Very low	31.3	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	76%	0.764	S	S	*	*			trans	-138.3	110.3	158.2	61.4	0	0	0	0	110.4
586	Q	29.7	Very low	30.8	Very low	179 Å²	179	133.3 Å²	133.3	84%	0.836	78%	0.776	S	S	*	*			trans	-101.5	100.1	-179.5	-66.5	-171.8	13	0	0	111.8
587	S	32.1	Very low	30.6	Very low	117 Å²	117	131.6 Å²	131.6	82%	0.818	77%	0.771	S	S	*	*			trans	-88.9	112	164.9	55.8	0	0	0	0	110.3	C589	S587-C589 PolarHBondContact O-N 3.3Å
588	G	28.2	Very low	30.4	Very low	80 Å²	80	137.9 Å²	137.9	83%	0.825	78%	0.777	S	S	*	*			trans	-81.1	101.2	-170.2	0	0	0	0	0	115
589	C	30.2	Very low	30.4	Very low	122 Å²	122	138.5 Å²	138.5	82%	0.824	78%	0.776	S	S	*	*			trans	-139.5	70.3	169.9	-102.8	0	0	0	0	112.6	S587	S587-C589 PolarHBondContact O-N 3.3Å
590	C	33.1	Very low	30.2	Very low	141 Å²	141	142 Å²	142	95%	0.953	78%	0.782	S	S	*	*			trans	-84	140	170.1	-83.2	0	0	0	0	111.4
591	G	30.6	Very low	30.2	Very low	56 Å²	56	145.5 Å²	145.5	58%	0.577	79%	0.789	S	S	*	*			cis	-160.2	130.8	-4	0	0	0	0	0	113.1
592	C	30	Very low	30.1	Very low	47 Å²	47	147.7 Å²	147.7	32%	0.318	80%	0.799	S	S	.	*	S	Bend	trans	-156.5	60	171.8	-93	0	0	0	0	110.5	R231 R277	R231-C592 PolarHBondContact NH2-SG 3.05Å; R277-C592 PolarHBondContact NH2-O 2.89Å
593	F	30.5	Very low	30.2	Very low	126 Å²	126	152.2 Å²	152.2	55%	0.553	81%	0.806	S	S	*	*			trans	-160.1	127.9	161.6	-106.1	-69.8	0	0	0	110.1	G268	G268-F593 VanDerWaalsContact C-CZ 3.48Å; G268-F593 VanDerWaalsContact CA-CE1 3.46Å; G268-F593 VanDerWaalsContact CA-CZ 3.45Å; G268-F593 WeakPolarHBondContact O-CZ 3.44Å
594	G	26.6	Very low	29.9	Very low	78 Å²	78	149.8 Å²	149.8	80%	0.804	80%	0.804	S	S	*	*			trans	-91.2	110.7	162.6	0	0	0	0	0	109.2
595	Q	31	Very low	29.8	Very low	182 Å²	182	150.8 Å²	150.8	85%	0.85	81%	0.808	S	S	*	*			trans	-128.3	136.1	157.4	-82.7	-168.5	-40.1	0	0	109	S597	Q595-S597 PolarHBondContact O-N 3.35Å
596	R	27.3	Very low	29.9	Very low	259 Å²	259	151.6 Å²	151.6	98%	0.977	80%	0.797	S	S	*	*			trans	-73.3	112.8	177.9	-69.7	173.7	170.7	178.8	-3.3	109.2
597	S	32.2	Very low	30.3	Very low	119 Å²	119	150.9 Å²	150.9	83%	0.832	80%	0.798	S	S	*	*			trans	-128.5	160.2	151.7	-163.3	0	0	0	0	110.3	Q595 D599	Q595-S597 PolarHBondContact O-N 3.35Å; S597-D599 PolarHBondContact O-N 3.27Å
598	K	29.8	Very low	30.2	Very low	208 Å²	208	152.6 Å²	152.6	90%	0.904	80%	0.797	S	S	*	*			trans	-95.2	87.1	-165.1	-62.1	172	-175	169	0	111.2
599	D	30.8	Very low	30.3	Very low	151 Å²	151	156.4 Å²	156.4	81%	0.807	80%	0.795	S	S	*	*			trans	-134.6	130.1	150	-150.8	-22.7	0	0	0	110.5	S597	S597-D599 PolarHBondContact O-N 3.27Å
600	R	28.3	Very low	30.3	Very low	242 Å²	242	158.3 Å²	158.3	91%	0.913	79%	0.793	S	S	*	*			trans	-141.8	40.2	-156.7	-148.2	-174.9	-161	-152.2	4.8	113.8
601	R	30.4	Very low	30.1	Very low	227 Å²	227	159.4 Å²	159.4	86%	0.857	78%	0.784	S	S	*	*			trans	-128.8	160.8	167.7	-69.2	-179.6	172.6	173.9	-2.3	109.7
602	L	31.1	Very low	30.1	Very low	179 Å²	179	165.8 Å²	165.8	94%	0.937	80%	0.797	S	S	*	*	S	Bend	trans	71.9	27.8	176.8	-53.4	175.4	0	0	0	118.9
603	R	30.4	Very low	30.1	Very low	238 Å²	238	173.7 Å²	173.7	90%	0.898	83%	0.829	S	S	*	*	S	Bend	trans	-144.7	39.7	162.6	-124.7	178.5	-167.2	-145.2	1.1	116.1
604	S	26.6	Very low	30.1	Very low	118 Å²	118	177.1 Å²	177.1	83%	0.825	85%	0.849	S	S	*	*	S	Bend	trans	-166.1	84.7	168.6	-176.7	0	0	0	0	111.6
605	Q	25.3	Very low	30.3	Very low	179 Å²	179	184.8 Å²	184.8	84%	0.836	85%	0.852	S	S	*	*			trans	-169.7	37.3	174.1	-129	177.5	20.3	0	0	117.8
606	F	34.3	Very low	30.3	Very low	135 Å²	135	185 Å²	185	59%	0.592	85%	0.852	S	S	*	*			trans	-132	98.4	-175	-75.6	-58.8	0	0	0	117.5	K62	K62-F606 HydrophobicContact CD-CE1 4.41Å
607	I	36.8	Very low	30.6	Very low	165 Å²	165	178.3 Å²	178.3	85%	0.846	84%	0.841	S	S	*	*			trans	19.1	0	136.2	-44.6	176.5	0	0	0	116.4

Retrieved 607 of 607 residues in 110.3 ms (Link to these results)

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