A0A077ZDD8_TRITR Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZDD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	30.6	Very low	247 Å²	247	163.2 Å²	163.2	100%	1.217	86%	0.86	S	S	*	*				0	91.1	0	-85.7	174.9	172.5	0	0	107.9
2	L	28.6	Very low	30.6	Very low	163 Å²	163	164.9 Å²	164.9	85%	0.853	86%	0.855	S	S	*	*			trans	-150.9	160.2	-175.9	-94.8	163	0	0	0	108.1
3	F	30.8	Very low	30.5	Very low	198 Å²	198	164.2 Å²	164.2	87%	0.868	85%	0.849	S	S	*	*			trans	90.7	98.4	-172.4	-64	-79.8	0	0	0	113.7
4	R	30.5	Very low	30.5	Very low	224 Å²	224	162.2 Å²	162.2	85%	0.845	84%	0.839	S	S	*	*			cis	87.6	99.6	42.9	-153.5	-178.1	-166.4	-177.7	4.7	112.8
5	E	30.1	Very low	30.2	Very low	171 Å²	171	161.8 Å²	161.8	80%	0.799	84%	0.838	S	S	*	*			trans	17.8	123.6	148.6	-61.6	178.2	154.3	0	0	120.4
6	T	31	Very low	30.2	Very low	147 Å²	147	162.8 Å²	162.8	90%	0.902	83%	0.834	S	S	*	*			trans	-103.5	107.3	157.7	39.4	0	0	0	0	109.8
7	V	35.1	Very low	30	Very low	134 Å²	134	159.9 Å²	159.9	81%	0.812	83%	0.832	S	S	*	*			trans	-104.1	114.4	162.3	176.7	0	0	0	0	107.2	C9	V7-C9 PolarHBondContact O-N 2.66Å
8	G	28.6	Very low	29.7	Very low	74 Å²	74	157.8 Å²	157.8	76%	0.763	83%	0.833	S	S	*	*			trans	-71.1	115.5	179.5	0	0	0	0	0	111.7
9	C	29	Very low	29.6	Very low	115 Å²	115	154.8 Å²	154.8	78%	0.777	83%	0.826	S	S	*	*			trans	-90.8	112.9	170.4	-152	0	0	0	0	108.5	V7 T11	V7-C9 PolarHBondContact O-N 2.66Å; C9-T11 PolarHBondContact O-N 3.37Å
10	F	28.1	Very low	29.4	Very low	202 Å²	202	153.5 Å²	153.5	89%	0.886	82%	0.824	S	S	*	*			trans	-79.3	97.7	170.8	-100.4	-88.8	0	0	0	109.1
11	T	31.2	Very low	29.2	Very low	120 Å²	120	151.3 Å²	151.3	74%	0.736	83%	0.827	S	S	*	*			trans	-91.9	105.9	170.5	-37	0	0	0	0	108.7	C9 M13	C9-T11 PolarHBondContact O-N 3.37Å; T11-M13 PolarHBondContact O-N 3.32Å
12	F	31.1	Very low	28.7	Very low	184 Å²	184	148.4 Å²	148.4	81%	0.807	81%	0.808	S	S	*	*			trans	-80	101.3	169.7	-122.6	-93.2	0	0	0	108.7	L14	F12-L14 PolarHBondContact O-N 3.23Å
13	M	29.2	Very low	28.5	Very low	156 Å²	156	147.1 Å²	147.1	77%	0.768	81%	0.807	S	S	*	*			trans	-70.4	113.7	165.9	-91.6	-166.5	-165.6	0	0	109.3	T11	T11-M13 PolarHBondContact O-N 3.32Å
14	L	29.8	Very low	28.3	Very low	136 Å²	136	147.2 Å²	147.2	71%	0.712	81%	0.81	S	S	*	*			trans	-87.5	97.8	158.5	-79.2	164.9	0	0	0	108.3	F12 F16	F12-L14 PolarHBondContact O-N 3.23Å; L14-F16 HydrophobicContact CB-CD2 4.19Å; L14-F16 HydrophobicContact CB-CE2 4.08Å; L14-F16 HydrophobicContact CD1-CE2 4.35Å; L14-F16 HydrophobicContact CD2-CE2 3.99Å; L14-F16 HydrophobicContact CD2-CZ 4.44Å; L14-F16 HydrophobicContact CG-CE2 4.37Å; L14-F16 PolarHBondContact O-N 3.43Å
15	L	25.9	Very low	28	Very low	156 Å²	156	143.6 Å²	143.6	82%	0.817	81%	0.807	S	S	*	*			trans	-76.3	105.7	163.7	-75.5	165	0	0	0	108.2
16	F	30	Very low	27.8	Very low	177 Å²	177	144.2 Å²	144.2	78%	0.776	81%	0.81	S	S	*	*			trans	-102.3	103.5	162.3	-79.6	-76.2	0	0	0	108.7	L14 S18	L14-F16 HydrophobicContact CB-CD2 4.19Å; L14-F16 HydrophobicContact CB-CE2 4.08Å; L14-F16 HydrophobicContact CD1-CE2 4.35Å; L14-F16 HydrophobicContact CD2-CE2 3.99Å; L14-F16 HydrophobicContact CD2-CZ 4.44Å; L14-F16 HydrophobicContact CG-CE2 4.37Å; L14-F16 PolarHBondContact O-N 3.43Å; F16-S18 PolarHBondContact O-N 3.19Å
17	S	28.2	Very low	27.6	Very low	115 Å²	115	144.9 Å²	144.9	80%	0.804	81%	0.808	S	S	*	*			trans	-69.1	122.4	165	54.6	0	0	0	0	109.5	S19	S17-S19 PolarHBondContact O-N 2.93Å
18	S	23.5	Very low	27.3	Very low	122 Å²	122	144.1 Å²	144.1	85%	0.853	81%	0.808	S	S	*	*			trans	-66.5	116.7	171.1	51.4	0	0	0	0	111.3	F16	F16-S18 PolarHBondContact O-N 3.19Å
19	S	28.4	Very low	27.2	Very low	101 Å²	101	146.5 Å²	146.5	71%	0.706	80%	0.8	S	S	*	*			trans	-144.6	102.8	158.6	177.6	0	0	0	0	109.3	S17 A21	S17-S19 PolarHBondContact O-N 2.93Å; S19-A21 PolarHBondContact O-N 3.11Å
20	T	25.6	Very low	27.1	Very low	127 Å²	127	146.5 Å²	146.5	78%	0.779	80%	0.798	S	S	*	*			trans	27.5	91.9	145.4	49.4	0	0	0	0	118
21	A	24.8	Very low	27.2	Very low	108 Å²	108	143 Å²	143	89%	0.893	79%	0.794	S	S	*	*			trans	-107.5	81.8	151.5	0	0	0	0	0	108.5	S19	S19-A21 PolarHBondContact O-N 3.11Å
22	K	24.1	Very low	27	Very low	186 Å²	186	143 Å²	143	81%	0.809	80%	0.796	S	S	*	*			trans	-86.2	148.4	157.3	-83	-178.4	175.9	177.8	0	107.2
23	T	24.5	Very low	27	Very low	137 Å²	137	138.7 Å²	138.7	84%	0.84	79%	0.788	S	S	*	*			trans	66.3	83.2	169.3	47.2	0	0	0	0	117.4
24	E	25.8	Very low	27.3	Very low	199 Å²	199	138.8 Å²	138.8	93%	0.93	79%	0.785	S	S	*	*			trans	-161.1	76	141.9	-110.1	178.3	-156.4	0	0	108.2
25	L	25.1	Very low	27.3	Very low	148 Å²	148	139.6 Å²	139.6	78%	0.775	79%	0.785	S	S	*	*			trans	-141.1	69	-179.8	-145.8	116.9	0	0	0	110.6
26	Q	25.6	Very low	27.4	Very low	185 Å²	185	139 Å²	139	86%	0.864	78%	0.783	S	S	*	*			trans	-167.5	91.4	161.4	-109.8	166.6	0.6	0	0	107.8
27	N	25.5	Very low	27.5	Very low	160 Å²	160	137.4 Å²	137.4	86%	0.856	77%	0.772	S	S	*	*			trans	-161.1	78.5	155.1	-91.4	-28.6	0	0	0	106.5	E29	N27-E29 PolarHBondContact O-N 3.42Å
28	S	28.5	Very low	27.7	Very low	118 Å²	118	137.7 Å²	137.7	83%	0.825	77%	0.769	S	S	*	*			trans	-61.7	112.2	157.3	46.9	0	0	0	0	106.9
29	E	28.2	Very low	28.1	Very low	125 Å²	125	138.2 Å²	138.2	58%	0.584	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-56.6	130.1	173	-80.2	175.8	170.4	0	0	108.9	N27 T31	N27-E29 PolarHBondContact O-N 3.42Å; E29-T31 PolarHBondContact O-N 2.98Å
30	P	26.4	Very low	28.4	Very low	114 Å²	114	137.1 Å²	137.1	74%	0.74	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-65.5	132.9	175.2	27.2	-30.6	0	0	0	108.3
31	T	29.2	Very low	29.4	Very low	129 Å²	129	132.5 Å²	132.5	79%	0.791	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-49.8	121.9	162.1	36.6	0	0	0	0	108.1	E29 S33	E29-T31 PolarHBondContact O-N 2.98Å; T31-S33 PolarHBondContact O-N 3.09Å
32	P	28.6	Very low	30.1	Very low	120 Å²	120	131.3 Å²	131.3	78%	0.779	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-59.8	130.1	-178.4	21.9	-29.7	0	0	0	109.2
33	S	30.2	Very low	31	Very low	93 Å²	93	124.7 Å²	124.7	65%	0.65	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-55.9	140.6	179.7	39.4	0	0	0	0	111	T31 E35	T31-S33 PolarHBondContact O-N 3.09Å; S33-E35 PolarHBondContact O-N 2.85Å
34	F	35.1	Very low	32.1	Very low	159 Å²	159	123.5 Å²	123.5	70%	0.697	68%	0.675	S	S	*	*			trans	-66.8	75	172.3	-96.1	-100.7	0	0	0	109.9	E231	F34-E231 WeakPolarHBondContact CE1-O 3.23Å
35	E	31	Very low	33.1	Very low	152 Å²	152	121.5 Å²	121.5	71%	0.71	67%	0.671	S	S	*	*			trans	-98.1	103.5	169.7	-80.1	-175.3	170.6	0	0	110.4	S33 Y37	S33-E35 PolarHBondContact O-N 2.85Å; E35-Y37 PolarHBondContact O-N 3.1Å
36	N	27	Very low	34.3	Very low	145 Å²	145	119.5 Å²	119.5	78%	0.775	66%	0.661	S	S	*	*			trans	40.5	72.6	150.5	-67.6	-19.7	0	0	0	117.1	T38	N36-T38 PolarHBondContact O-N 3.2Å
37	Y	32.5	Very low	35.8	Very low	142 Å²	142	120.6 Å²	120.6	56%	0.557	66%	0.662	S	S	*	*			trans	-72	81.4	157.3	-70.5	-81.3	0	0	0	109.5	E35	E35-Y37 PolarHBondContact O-N 3.1Å
38	T	31.7	Very low	37.8	Very low	121 Å²	121	114.8 Å²	114.8	74%	0.742	63%	0.63	S	S	*	*			trans	-64.1	148	167	36.2	0	0	0	0	110.3	N36	N36-T38 PolarHBondContact O-N 3.2Å
39	T	32.6	Very low	40.1	Very low	134 Å²	134	113.4 Å²	113.4	82%	0.822	61%	0.613	S	S	*	*	S	Bend	trans	-49.7	144.7	-172.5	44.6	0	0	0	0	115
40	A	34.6	Very low	42.8	Very low	78 Å²	78	109.8 Å²	109.8	65%	0.645	60%	0.601	S	S	*	*	S	Bend	trans	93.5	134.1	174.1	0	0	0	0	0	115.6	V42	A40-V42 PolarHBondContact O-N 3.02Å
41	V	45.6	Very low	45.5	Very low	29 Å²	29	108.6 Å²	108.6	18%	0.176	60%	0.596	C	S	.	*			trans	-49.2	110.5	152.9	178.2	0	0	0	0	104.9	P43 L166 F274	V41-P43 VanDerWaalsContact C-CD 3.46Å; V41-P43 WeakPolarHBondContact O-CD 3.48Å; V41-L166 HydrophobicContact CG1-CD1 4.26Å; V41-F274 HydrophobicContact CG2-CD1 4.43Å; V41-F274 HydrophobicContact CG2-CE1 3.54Å; V41-F274 HydrophobicContact CG2-CZ 4.1Å
42	V	40.8	Very low	48.1	Very low	84 Å²	84	107.7 Å²	107.7	51%	0.509	58%	0.582	S	S	.	*			trans	-86.2	94.8	172.9	-176.9	0	0	0	0	105	A40 Y44	A40-V42 PolarHBondContact O-N 3.02Å; V42-Y44 PolarHBondContact O-N 3.22Å
43	P	43.8	Very low	51	Low	46 Å²	46	109.1 Å²	109.1	30%	0.299	58%	0.579	S	S	.	*			trans	-57.7	125.4	156.8	27.7	-30.9	0	0	0	105.1	V41 N45	V41-P43 VanDerWaalsContact C-CD 3.46Å; V41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-N45 PolarHBondContact O-N 3.14Å
44	Y	47.5	Very low	54	Low	112 Å²	112	106.7 Å²	106.7	44%	0.439	56%	0.557	S	S	.	*			trans	-48.7	128.6	171.9	-172.8	-103.6	0	0	0	107.8	V42 N46	V42-Y44 PolarHBondContact O-N 3.22Å; Y44-N46 HydrophobicContact CD1-CB 3.81Å; Y44-N46 HydrophobicContact CE1-CB 3.83Å; Y44-N46 WeakPolarHBondContact CE1-ND2 3.34Å; Y44-N46 PolarHBondContact O-N 2.86Å
45	N	45.1	Very low	56.8	Low	158 Å²	158	100.1 Å²	100.1	85%	0.845	53%	0.53	S	S	*	.	S	Bend	trans	-69.3	8.2	-164.8	-128.1	1.8	0	0	0	114.1	P43	P43-N45 PolarHBondContact O-N 3.14Å
46	N	50.1	Low	59.8	Low	106 Å²	106	93.1 Å²	93.1	57%	0.567	50%	0.497	S	S	*	.			trans	-94.2	100.7	167.9	-73.1	-10	0	0	0	108.4	Y44 E48	Y44-N46 HydrophobicContact CD1-CB 3.81Å; Y44-N46 HydrophobicContact CE1-CB 3.83Å; Y44-N46 WeakPolarHBondContact CE1-ND2 3.34Å; Y44-N46 PolarHBondContact O-N 2.86Å; N46-E48 PolarHBondContact O-N 2.65Å
47	K	58.8	Low	63	Low	207 Å²	207	90 Å²	90	90%	0.9	49%	0.485	S	S	*	.			trans	-59.1	93.7	161.8	-74.8	-178.5	177.4	177.7	0	107.6
48	E	67.4	Low	66	Low	38 Å²	38	83.7 Å²	83.7	18%	0.178	46%	0.461	C	S	.	.			trans	-59.8	141.4	170.3	-75.1	-172.8	143.8	0	0	108.6	N46 C71 F72 R73 S156	N46-E48 PolarHBondContact O-N 2.65Å; E48-C71 HydrophobicContact CB-CB 4.1Å; E48-C71 WeakPolarHBondContact O-CB 3.33Å; E48-C71 PolarHBondContact O-SG 3.25Å; E48-C71 VanDerWaalsContact O-SG 3.33Å; E48-F72 WeakPolarHBondContact OE2-CA 3.24Å; E48-R73 VanDerWaalsContact CD-CB 3.47Å; E48-R73 WeakPolarHBondContact OE1-CB 3.4Å; E48-R73 IonicContact OE1-NE 2.88Å; E48-R73 PolarHBondContact OE1-NE 3.01Å; E48-R73 WeakPolarHBondContact OE2-CB 3.36Å; E48-R73 PolarHBondContact OE2-N 3.36Å; E48-S156 PolarHBondContact OE2-OG 2.97Å
49	N	77	Confident	69	Low	89 Å²	89	80.1 Å²	80.1	48%	0.476	44%	0.439	S	S	.	.			trans	-81	122.1	173.9	-173	-8	0	0	0	108.5	S51 H52	N49-S51 PolarHBondContact ND2-OG 2.84Å; N49-S51 PolarHBondContact O-N 3.38Å; N49-S51 PolarHBondContact OD1-N 3.46Å; N49-S51 VanDerWaalsContact OD1-N 3.15Å; N49-S51 PolarHBondContact OD1-OG 3.41Å; N49-H52 PolarHBondContact O-N 3.25Å
50	C	84.2	Confident	72	Confident	49 Å²	49	73.8 Å²	73.8	33%	0.331	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-4.8	178.1	-83.4	0	0	0	0	113.9	T55 C71	C50-T55 VanDerWaalsContact C-OG1 3.29Å; C50-T55 WeakPolarHBondContact CA-OG1 3.4Å; C50-T55 PolarHBondContact O-OG1 3.27Å; C50-T55 VanDerWaalsContact O-OG1 3.08Å; C50-C71 VanDerWaalsContact CA-SG 3.53Å; C50-C71 HydrophobicContact CB-CB 4.09Å; C50-C71 WeakPolarHBondContact CB-SG 3.36Å; C50-C71 PolarHBondContact N-SG 3.27Å; C50-C71 WeakPolarHBondContact SG-CB 3.27Å; C50-C71 CovalentContact SG-SG 2.01Å; C50-C71 PolarHBondContact SG-SG 3.41Å
51	S	83.4	Confident	74.9	Confident	89 Å²	89	73.1 Å²	73.1	62%	0.622	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.8	172.6	70	0	0	0	0	113.7	N49	N49-S51 PolarHBondContact ND2-OG 2.84Å; N49-S51 PolarHBondContact O-N 3.38Å; N49-S51 PolarHBondContact OD1-N 3.46Å; N49-S51 VanDerWaalsContact OD1-N 3.15Å; N49-S51 PolarHBondContact OD1-OG 3.41Å
52	H	84.4	Confident	77.1	Confident	110 Å²	110	74 Å²	74	51%	0.509	38%	0.383	S	S	.	.	S	Bend	trans	-74.5	151.4	179.3	-69.5	-169.9	0	0	0	111.1	N49 T55	N49-H52 PolarHBondContact O-N 3.25Å; H52-T55 HydrophobicContact CB-CG2 3.68Å; H52-T55 WeakPolarHBondContact O-CB 2.94Å; H52-T55 PolarHBondContact O-N 2.87Å; H52-T55 PolarHBondContact O-OG1 3.46Å
53	E	87.5	Confident	79.4	Confident	150 Å²	150	76 Å²	76	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	146.6	173.8	-159.8	176.3	-156.4	0	0	110.8	T55	E53-T55 PolarHBondContact O-N 2.52Å; E53-T55 VanDerWaalsContact O-N 3.09Å
54	H	93.3	Very high	81.5	Confident	43 Å²	43	76.9 Å²	76.9	20%	0.199	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	17.2	-178.1	-50.8	127.7	0	0	0	115.7	R73 Y74 L77 E79	H54-R73 HydrophobicContact CB-CG 4.42Å; H54-R73 WeakPolarHBondContact O-CA 3.29Å; H54-Y74 HydrophobicContact CB-CD2 4.16Å; H54-Y74 WeakPolarHBondContact O-CD2 3.5Å; H54-Y74 PolarHBondContact O-N 2.87Å; H54-L77 HydrophobicContact CB-CD2 4.46Å; H54-E79 IonicContact CD2-OE1 3.58Å; H54-E79 IonicContact CE1-OE1 3.78Å; H54-E79 IonicContact NE2-OE1 3.78Å; H54-E79 PolarHBondContact NE2-OE1 3.35Å; H54-E79 IonicContact NE2-OE2 3.53Å
55	T	94.3	Very high	83.2	Confident	20 Å²	20	80.1 Å²	80.1	12%	0.123	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	157.6	171.6	65.1	0	0	0	0	112.9	C50 H52 E53 F72 R73	C50-T55 VanDerWaalsContact C-OG1 3.29Å; C50-T55 WeakPolarHBondContact CA-OG1 3.4Å; C50-T55 PolarHBondContact O-OG1 3.27Å; C50-T55 VanDerWaalsContact O-OG1 3.08Å; H52-T55 HydrophobicContact CB-CG2 3.68Å; H52-T55 WeakPolarHBondContact O-CB 2.94Å; H52-T55 PolarHBondContact O-N 2.87Å; H52-T55 PolarHBondContact O-OG1 3.46Å; E53-T55 PolarHBondContact O-N 2.52Å; E53-T55 VanDerWaalsContact O-N 3.09Å; T55-F72 CarbonylContact C-O 3.57Å; T55-F72 WeakPolarHBondContact CA-O 3.22Å; T55-F72 WeakPolarHBondContact CB-O 3.36Å; T55-R73 HydrophobicContact CG2-CB 4.02Å; T55-R73 HydrophobicContact CG2-CG 4.19Å
56	F	94.7	Very high	85.4	Confident	5 Å²	5	79.9 Å²	79.9	2%	0.022	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	135.6	174.1	58.4	-82	0	0	0	111.1	V58 F72 Y74 F155 S170 N173	F56-V58 HydrophobicContact CD2-CG2 3.94Å; F56-V58 HydrophobicContact CE2-CG2 3.98Å; F56-F72 HydrophobicContact CD1-CB 4.49Å; F56-F72 WeakPolarHBondContact CD1-O 3.44Å; F56-F72 HydrophobicContact CD2-CB 4.44Å; F56-F72 HydrophobicContact CE1-CB 3.91Å; F56-F72 HydrophobicContact CE2-CB 3.85Å; F56-F72 HydrophobicContact CE2-CD2 4.1Å; F56-F72 HydrophobicContact CE2-CG 4.43Å; F56-F72 HydrophobicContact CZ-CB 3.55Å; F56-F72 HydrophobicContact CZ-CG 4.45Å; F56-F72 PolarHBondContact N-O 3.15Å; F56-F72 PolarHBondContact O-N 2.97Å; F56-Y74 HydrophobicContact CD1-CD1 4.49Å; F56-Y74 HydrophobicContact CD1-CD2 4.03Å; F56-Y74 AromaticContact CD1-CE1 3.95Å; F56-Y74 HydrophobicContact CD1-CE1 3.95Å; F56-Y74 AromaticContact CD1-CE2 3.44Å; F56-Y74 HydrophobicContact CD1-CE2 3.44Å; F56-Y74 VanDerWaalsContact CD1-CE2 3.44Å; F56-Y74 AromaticContact CD1-CZ 3.4Å; F56-Y74 AromaticContact CE1-CD1 3.89Å; F56-Y74 HydrophobicContact CE1-CD1 3.89Å; F56-Y74 HydrophobicContact CE1-CD2 4.18Å; F56-Y74 AromaticContact CE1-CE1 3.49Å; F56-Y74 HydrophobicContact CE1-CE1 3.49Å; F56-Y74 VanDerWaalsContact CE1-CE1 3.49Å; F56-Y74 AromaticContact CE1-CE2 3.83Å; F56-Y74 HydrophobicContact CE1-CE2 3.83Å; F56-Y74 HydrophobicContact CE1-CG 4.21Å; F56-Y74 AromaticContact CE1-CZ 3.47Å; F56-Y74 VanDerWaalsContact CE1-CZ 3.47Å; F56-Y74 HydrophobicContact CG-CE2 4.38Å; F56-Y74 HydrophobicContact CZ-CE1 4.16Å; F56-F155 HydrophobicContact CE1-CD1 4.36Å; F56-F155 HydrophobicContact CZ-CD1 4.16Å; F56-S170 WeakPolarHBondContact CZ-OG 3.47Å; F56-N173 WeakPolarHBondContact CB-ND2 3.25Å; F56-N173 HydrophobicContact CD2-CB 4.31Å; F56-N173 WeakPolarHBondContact CG-ND2 3.48Å
57	P	94.8	Very high	87.3	Confident	81 Å²	81	79.2 Å²	79.2	53%	0.526	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	144.2	176.4	29.7	-32.7	0	0	0	111.8	T69	P57-T69 HydrophobicContact CB-CG2 4.13Å
58	V	95	Very high	88.9	Confident	9 Å²	9	71.6 Å²	71.6	6%	0.055	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.2	167.5	178.8	0	0	0	0	109	F56 L60 T69 N70 F72 I169 V269	F56-V58 HydrophobicContact CD2-CG2 3.94Å; F56-V58 HydrophobicContact CE2-CG2 3.98Å; V58-L60 HydrophobicContact CG1-CD2 3.56Å; V58-L60 HydrophobicContact CG1-CG 4.04Å; V58-T69 WeakPolarHBondContact O-CA 3.5Å; V58-N70 PolarHBondContact N-O 3.5Å; V58-N70 PolarHBondContact O-N 3.49Å; V58-F72 HydrophobicContact CB-CD2 4.05Å; V58-F72 HydrophobicContact CB-CE2 3.79Å; V58-F72 HydrophobicContact CG1-CE2 4.42Å; V58-F72 HydrophobicContact CG2-CD2 3.71Å; V58-F72 HydrophobicContact CG2-CE2 3.88Å; V58-I169 HydrophobicContact CG1-CD1 4.32Å; V58-I169 HydrophobicContact CG1-CG2 3.96Å; V58-I169 HydrophobicContact CG2-CG2 3.89Å; V58-V269 HydrophobicContact CG1-CG1 4.37Å
59	T	95	Very high	90	Very high	45 Å²	45	73.7 Å²	73.7	28%	0.276	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	110	174.8	-55.3	0	0	0	0	110.5	S68 T69 K270	T59-S68 CarbonylContact C-O 3.54Å; T59-S68 WeakPolarHBondContact CA-O 3.22Å; T59-T69 PolarHBondContact OG1-OG1 2.98Å; T59-K270 HydrophobicContact CG2-CB 4.15Å; T59-K270 WeakPolarHBondContact O-CA 3.49Å
60	L	95.6	Very high	90.7	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.7	177.8	-57.3	178.8	0	0	0	110.3	V58 Y62 T67 S68 L166 I169 V269 F274	V58-L60 HydrophobicContact CG1-CD2 3.56Å; V58-L60 HydrophobicContact CG1-CG 4.04Å; L60-Y62 HydrophobicContact CB-CE2 4.04Å; L60-T67 CarbonylContact O-C 3.53Å; L60-T67 VanDerWaalsContact O-CA 3.25Å; L60-T67 WeakPolarHBondContact O-CA 3.31Å; L60-S68 PolarHBondContact N-O 2.97Å; L60-S68 PolarHBondContact O-N 3.32Å; L60-L166 HydrophobicContact CD1-CD2 3.76Å; L60-I169 HydrophobicContact CD2-CD1 4.07Å; L60-V269 HydrophobicContact CD2-CG1 3.89Å; L60-F274 HydrophobicContact CD1-CD2 4.06Å; L60-F274 HydrophobicContact CD1-CE2 4.13Å; L60-F274 HydrophobicContact CD2-CD2 3.79Å; L60-F274 HydrophobicContact CD2-CE2 4.25Å; L60-F274 HydrophobicContact CG-CD2 4.37Å
61	K	94.2	Very high	91.2	Very high	64 Å²	64	69.7 Å²	69.7	28%	0.278	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.9	171.7	179.8	-178.5	176.9	-178.7	0	109	T67 H271 T273 F274	K61-T67 HydrophobicContact CB-CG2 4.14Å; K61-T67 HydrophobicContact CG-CG2 4.3Å; K61-H271 WeakPolarHBondContact CD-O 3.34Å; K61-H271 PolarHBondContact NZ-O 2.78Å; K61-H271 VanDerWaalsContact NZ-O 3.08Å; K61-T273 CarbonylContact O-C 3.41Å; K61-T273 WeakPolarHBondContact O-CA 3.3Å; K61-F274 WeakPolarHBondContact O-CB 3.23Å; K61-F274 PolarHBondContact O-N 3.29Å
62	Y	93.2	Very high	91.7	Very high	48 Å²	48	65.9 Å²	65.9	19%	0.188	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-89.1	165.8	179.1	-64.2	-86.2	0	0	0	111.9	L60 T64 K65 K66 F274	L60-Y62 HydrophobicContact CB-CE2 4.04Å; Y62-T64 PolarHBondContact O-N 3.07Å; Y62-K65 WeakPolarHBondContact O-CA 3.31Å; Y62-K65 PolarHBondContact O-N 3.39Å; Y62-K66 PolarHBondContact N-O 2.73Å; Y62-F274 HydrophobicContact CE1-CD1 4.37Å
63	W	88.1	Confident	92.2	Very high	124 Å²	124	65 Å²	65	47%	0.47	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.5	179.5	63.2	-93.6	0	0	0	113.5	K65 D239 T273	W63-K65 PolarHBondContact O-N 2.82Å; W63-D239 WeakPolarHBondContact CB-O 3.31Å; W63-D239 HydrophobicContact CD2-CB 3.73Å; W63-D239 HydrophobicContact CE3-CB 3.79Å; W63-D239 HydrophobicContact CG-CB 4.37Å; W63-D239 VanDerWaalsContact CG-O 3.3Å; W63-D239 HydrophobicContact CH2-CB 3.86Å; W63-D239 HydrophobicContact CZ2-CB 3.81Å; W63-D239 HydrophobicContact CZ3-CB 3.85Å; W63-T273 HydrophobicContact CB-CG2 4.03Å
64	T	88.3	Confident	92.6	Very high	66 Å²	66	58.1 Å²	58.1	41%	0.405	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	5.7	171.1	58.5	0	0	0	0	113.8	Y62 K66	Y62-T64 PolarHBondContact O-N 3.07Å; T64-K66 PolarHBondContact O-N 3.36Å; T64-K66 VanDerWaalsContact O-N 3.07Å
65	K	83.8	Confident	92.7	Very high	179 Å²	179	57.3 Å²	57.3	78%	0.778	29%	0.29	S	S	*	.	S	Bend	trans	62.8	1.6	-172.4	-54.9	179.9	-179.5	176.8	0	114.7	Y62 W63	Y62-K65 WeakPolarHBondContact O-CA 3.31Å; Y62-K65 PolarHBondContact O-N 3.39Å; W63-K65 PolarHBondContact O-N 2.82Å
66	K	89.7	Confident	92.8	Very high	153 Å²	153	56.5 Å²	56.5	67%	0.665	28%	0.284	S	S	*	.			trans	-71.7	138.1	171	-66	-174.8	178	-178.4	0	109.8	Y62 T64	Y62-K66 PolarHBondContact N-O 2.73Å; T64-K66 PolarHBondContact O-N 3.36Å; T64-K66 VanDerWaalsContact O-N 3.07Å
67	T	91	Very high	93	Very high	92 Å²	92	57.8 Å²	57.8	56%	0.564	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.9	167.9	49.4	0	0	0	0	109.3	L60 K61	L60-T67 CarbonylContact O-C 3.53Å; L60-T67 VanDerWaalsContact O-CA 3.25Å; L60-T67 WeakPolarHBondContact O-CA 3.31Å; K61-T67 HydrophobicContact CB-CG2 4.14Å; K61-T67 HydrophobicContact CG-CG2 4.3Å
68	S	91.8	Very high	93.1	Very high	48 Å²	48	55.3 Å²	55.3	34%	0.336	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.4	169.1	-166.2	0	0	0	0	108.9	T59 L60	T59-S68 CarbonylContact C-O 3.54Å; T59-S68 WeakPolarHBondContact CA-O 3.22Å; L60-S68 PolarHBondContact N-O 2.97Å; L60-S68 PolarHBondContact O-N 3.32Å
69	T	91.9	Very high	93.1	Very high	82 Å²	82	58.4 Å²	58.4	50%	0.503	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.6	171.2	-57.5	0	0	0	0	108	P57 V58 T59	P57-T69 HydrophobicContact CB-CG2 4.13Å; V58-T69 WeakPolarHBondContact O-CA 3.5Å; T59-T69 PolarHBondContact OG1-OG1 2.98Å
70	N	91.3	Very high	93.2	Very high	28 Å²	28	58.3 Å²	58.3	15%	0.15	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.6	172.3	-57.8	-80	0	0	0	108	V58 F72	V58-N70 PolarHBondContact N-O 3.5Å; V58-N70 PolarHBondContact O-N 3.49Å; N70-F72 HydrophobicContact CB-CE1 4.44Å; N70-F72 HydrophobicContact CB-CE2 4.15Å; N70-F72 HydrophobicContact CB-CZ 3.94Å
71	C	93.3	Very high	93.3	Very high	25 Å²	25	58.4 Å²	58.4	17%	0.169	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.1	169.2	-52.2	0	0	0	0	107.5	E48 C50	E48-C71 HydrophobicContact CB-CB 4.1Å; E48-C71 WeakPolarHBondContact O-CB 3.33Å; E48-C71 PolarHBondContact O-SG 3.25Å; E48-C71 VanDerWaalsContact O-SG 3.33Å; C50-C71 VanDerWaalsContact CA-SG 3.53Å; C50-C71 HydrophobicContact CB-CB 4.09Å; C50-C71 WeakPolarHBondContact CB-SG 3.36Å; C50-C71 PolarHBondContact N-SG 3.27Å; C50-C71 WeakPolarHBondContact SG-CB 3.27Å; C50-C71 CovalentContact SG-SG 2.01Å; C50-C71 PolarHBondContact SG-SG 3.41Å
72	F	94.5	Very high	93.5	Very high	9 Å²	9	56 Å²	56	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	161.9	171.4	-58.9	-69.1	0	0	0	108.9	E48 T55 F56 V58 N70 S156 F157 L166	E48-F72 WeakPolarHBondContact OE2-CA 3.24Å; T55-F72 CarbonylContact C-O 3.57Å; T55-F72 WeakPolarHBondContact CA-O 3.22Å; T55-F72 WeakPolarHBondContact CB-O 3.36Å; F56-F72 HydrophobicContact CD1-CB 4.49Å; F56-F72 WeakPolarHBondContact CD1-O 3.44Å; F56-F72 HydrophobicContact CD2-CB 4.44Å; F56-F72 HydrophobicContact CE1-CB 3.91Å; F56-F72 HydrophobicContact CE2-CB 3.85Å; F56-F72 HydrophobicContact CE2-CD2 4.1Å; F56-F72 HydrophobicContact CE2-CG 4.43Å; F56-F72 HydrophobicContact CZ-CB 3.55Å; F56-F72 HydrophobicContact CZ-CG 4.45Å; F56-F72 PolarHBondContact N-O 3.15Å; F56-F72 PolarHBondContact O-N 2.97Å; V58-F72 HydrophobicContact CB-CD2 4.05Å; V58-F72 HydrophobicContact CB-CE2 3.79Å; V58-F72 HydrophobicContact CG1-CE2 4.42Å; V58-F72 HydrophobicContact CG2-CD2 3.71Å; V58-F72 HydrophobicContact CG2-CE2 3.88Å; N70-F72 HydrophobicContact CB-CE1 4.44Å; N70-F72 HydrophobicContact CB-CE2 4.15Å; N70-F72 HydrophobicContact CB-CZ 3.94Å; F72-S156 WeakPolarHBondContact CA-OG 2.98Å; F72-F157 HydrophobicContact CD1-CB 4.49Å; F72-F157 AromaticContact CD1-CD1 3.63Å; F72-F157 HydrophobicContact CD1-CD1 3.63Å; F72-F157 HydrophobicContact CD1-CE1 4.42Å; F72-F157 HydrophobicContact CE1-CB 4.28Å; F72-F157 AromaticContact CE1-CD1 3.82Å; F72-F157 HydrophobicContact CE1-CD1 3.82Å; F72-F157 HydrophobicContact CE1-CG 4.47Å; F72-F157 HydrophobicContact CG-CD1 4.17Å; F72-F157 HydrophobicContact CZ-CD1 4.49Å; F72-L166 HydrophobicContact CE1-CD1 4.49Å; F72-L166 HydrophobicContact CE2-CD2 4.38Å; F72-L166 HydrophobicContact CZ-CD1 4.03Å; F72-L166 HydrophobicContact CZ-CD2 4.18Å
73	R	95.1	Very high	93.6	Very high	93 Å²	93	61.2 Å²	61.2	35%	0.351	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.1	-177.2	-175.2	171.3	63.3	97.8	1.2	109.5	E48 H54 T55 T75 F155 S156	E48-R73 VanDerWaalsContact CD-CB 3.47Å; E48-R73 WeakPolarHBondContact OE1-CB 3.4Å; E48-R73 IonicContact OE1-NE 2.88Å; E48-R73 PolarHBondContact OE1-NE 3.01Å; E48-R73 WeakPolarHBondContact OE2-CB 3.36Å; E48-R73 PolarHBondContact OE2-N 3.36Å; H54-R73 HydrophobicContact CB-CG 4.42Å; H54-R73 WeakPolarHBondContact O-CA 3.29Å; T55-R73 HydrophobicContact CG2-CB 4.02Å; T55-R73 HydrophobicContact CG2-CG 4.19Å; R73-T75 PolarHBondContact O-N 2.83Å; R73-F155 CarbonylContact O-C 3.5Å; R73-F155 WeakPolarHBondContact O-CA 3.47Å; R73-S156 PolarHBondContact N-OG 2.78Å; R73-S156 PolarHBondContact O-N 2.8Å
74	Y	96.6	Very high	94	Very high	5 Å²	5	60.9 Å²	60.9	2%	0.02	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	108.3	163.8	-51.9	-74.2	0	0	0	108.7	H54 F56 L77 Q154 F155 N173 W174 Y178	H54-Y74 HydrophobicContact CB-CD2 4.16Å; H54-Y74 WeakPolarHBondContact O-CD2 3.5Å; H54-Y74 PolarHBondContact O-N 2.87Å; F56-Y74 HydrophobicContact CD1-CD1 4.49Å; F56-Y74 HydrophobicContact CD1-CD2 4.03Å; F56-Y74 AromaticContact CD1-CE1 3.95Å; F56-Y74 HydrophobicContact CD1-CE1 3.95Å; F56-Y74 AromaticContact CD1-CE2 3.44Å; F56-Y74 HydrophobicContact CD1-CE2 3.44Å; F56-Y74 VanDerWaalsContact CD1-CE2 3.44Å; F56-Y74 AromaticContact CD1-CZ 3.4Å; F56-Y74 AromaticContact CE1-CD1 3.89Å; F56-Y74 HydrophobicContact CE1-CD1 3.89Å; F56-Y74 HydrophobicContact CE1-CD2 4.18Å; F56-Y74 AromaticContact CE1-CE1 3.49Å; F56-Y74 HydrophobicContact CE1-CE1 3.49Å; F56-Y74 VanDerWaalsContact CE1-CE1 3.49Å; F56-Y74 AromaticContact CE1-CE2 3.83Å; F56-Y74 HydrophobicContact CE1-CE2 3.83Å; F56-Y74 HydrophobicContact CE1-CG 4.21Å; F56-Y74 AromaticContact CE1-CZ 3.47Å; F56-Y74 VanDerWaalsContact CE1-CZ 3.47Å; F56-Y74 HydrophobicContact CG-CE2 4.38Å; F56-Y74 HydrophobicContact CZ-CE1 4.16Å; Y74-L77 HydrophobicContact CD2-CD2 3.92Å; Y74-L77 HydrophobicContact CG-CD1 4.48Å; Y74-L77 HydrophobicContact CG-CD2 3.95Å; Y74-Q154 CarbonylContact C-O 3.49Å; Y74-Q154 VanDerWaalsContact CA-O 3.28Å; Y74-Q154 WeakPolarHBondContact CA-O 3.49Å; Y74-F155 AromaticContact CD1-CD1 3.62Å; Y74-F155 HydrophobicContact CD1-CD1 3.62Å; Y74-F155 AromaticContact CD1-CE1 3.59Å; Y74-F155 HydrophobicContact CD1-CE1 3.59Å; Y74-F155 AromaticContact CE1-CD1 3.85Å; Y74-F155 HydrophobicContact CE1-CD1 3.85Å; Y74-F155 AromaticContact CE1-CE1 3.56Å; Y74-F155 HydrophobicContact CE1-CE1 3.56Å; Y74-N173 PolarHBondContact OH-ND2 3.02Å; Y74-W174 HydrophobicContact CE1-CB 3.83Å; Y74-W174 AromaticContact CE1-CD1 4Å; Y74-W174 HydrophobicContact CE1-CG 4.33Å; Y74-W174 WeakPolarHBondContact OH-CA 3.36Å; Y74-W174 PolarHBondContact OH-N 3.35Å; Y74-Y178 HydrophobicContact CD2-CE2 4.32Å; Y74-Y178 AromaticContact CE2-CE2 3.9Å; Y74-Y178 HydrophobicContact CE2-CE2 3.9Å
75	T	94.8	Very high	94.4	Very high	25 Å²	25	61.7 Å²	61.7	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-29.1	-177.4	54.1	0	0	0	0	112.7	R73 E131 Q154	R73-T75 PolarHBondContact O-N 2.83Å; T75-E131 WeakPolarHBondContact CG2-OE1 3.04Å; T75-Q154 PolarHBondContact N-O 3.39Å; T75-Q154 WeakPolarHBondContact OG1-CB 3.4Å; T75-Q154 VanDerWaalsContact OG1-CG 3.31Å; T75-Q154 WeakPolarHBondContact OG1-CG 3.05Å; T75-Q154 PolarHBondContact OG1-O 3.12Å; T75-Q154 PolarHBondContact OG1-OE1 3.02Å
76	L	97	Very high	95	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.1	165.5	-63.5	177.4	0	0	0	107.7	L142 L146 I152 I153 Q154	L76-L142 HydrophobicContact CD1-CB 3.7Å; L76-L142 HydrophobicContact CD1-CD1 4.48Å; L76-L146 HydrophobicContact CB-CD2 4.06Å; L76-L146 HydrophobicContact CD2-CD2 3.95Å; L76-I152 HydrophobicContact CB-CG2 4.02Å; L76-I152 HydrophobicContact CD1-CG2 3.92Å; L76-I153 WeakPolarHBondContact O-CA 3.4Å; L76-Q154 HydrophobicContact CB-CB 3.65Å; L76-Q154 HydrophobicContact CD1-CB 4.04Å; L76-Q154 VanDerWaalsContact CD1-OE1 3.28Å; L76-Q154 HydrophobicContact CG-CB 3.92Å; L76-Q154 VanDerWaalsContact CG-OE1 3.31Å; L76-Q154 PolarHBondContact O-N 3.02Å
77	L	97.4	Very high	95.4	Very high	32 Å²	32	49.6 Å²	49.6	17%	0.168	25%	0.25	C	S	.	.			trans	-155.6	134.6	-173.8	179.6	61	0	0	0	110.8	H54 Y74 E79 I153 Y178	H54-L77 HydrophobicContact CB-CD2 4.46Å; Y74-L77 HydrophobicContact CD2-CD2 3.92Å; Y74-L77 HydrophobicContact CG-CD1 4.48Å; Y74-L77 HydrophobicContact CG-CD2 3.95Å; L77-E79 HydrophobicContact CD2-CG 3.56Å; L77-E79 HydrophobicContact CG-CG 3.9Å; L77-I153 HydrophobicContact CD1-CG2 4.44Å; L77-Y178 HydrophobicContact CD1-CD2 4.35Å; L77-Y178 HydrophobicContact CD1-CE2 4.07Å; L77-Y178 HydrophobicContact CD2-CE1 4.48Å; L77-Y178 HydrophobicContact CD2-CE2 4.05Å; L77-Y178 WeakPolarHBondContact CD2-OH 3.49Å
78	N	97	Very high	95.7	Very high	30 Å²	30	51 Å²	51	16%	0.16	25%	0.25	C	C	.	.			trans	-107.1	104.1	156.5	-179.9	-1.2	0	0	0	108.5	N80 F81 E150	N78-N80 PolarHBondContact O-N 3.07Å; N78-N80 PolarHBondContact OD1-N 3.36Å; N78-F81 HydrophobicContact CB-CB 4.38Å; N78-F81 WeakPolarHBondContact O-CB 3.28Å; N78-F81 PolarHBondContact O-N 3.01Å; N78-F81 PolarHBondContact OD1-N 2.9Å; N78-E150 PolarHBondContact ND2-OE2 2.04Å
79	E	96	Very high	96	Very high	73 Å²	73	49.1 Å²	49.1	34%	0.341	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.8	179.1	-67.8	-178.1	-101.3	0	0	113.1	H54 L77 F81 Y178	H54-E79 IonicContact CD2-OE1 3.58Å; H54-E79 IonicContact CE1-OE1 3.78Å; H54-E79 IonicContact NE2-OE1 3.78Å; H54-E79 PolarHBondContact NE2-OE1 3.35Å; H54-E79 IonicContact NE2-OE2 3.53Å; L77-E79 HydrophobicContact CD2-CG 3.56Å; L77-E79 HydrophobicContact CG-CG 3.9Å; E79-F81 VanDerWaalsContact C-N 3.29Å; E79-F81 PolarHBondContact O-N 3.38Å; E79-Y178 HydrophobicContact CB-CD1 4.16Å; E79-Y178 HydrophobicContact CB-CE1 3.92Å; E79-Y178 HydrophobicContact CG-CD1 4.38Å; E79-Y178 HydrophobicContact CG-CE1 3.69Å
80	N	96.9	Very high	96.3	Very high	44 Å²	44	46.7 Å²	46.7	24%	0.235	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	6.3	-175	-60.7	-13.9	0	0	0	112.2	N78 C82 R83 E84 R85	N78-N80 PolarHBondContact O-N 3.07Å; N78-N80 PolarHBondContact OD1-N 3.36Å; N80-C82 PolarHBondContact O-N 3.26Å; N80-R83 PolarHBondContact O-N 3.45Å; N80-R83 VanDerWaalsContact O-N 3.15Å; N80-R83 PolarHBondContact OD1-NH2 2.82Å; N80-E84 HydrophobicContact CB-CB 4.07Å; N80-E84 HydrophobicContact CB-CG 4.05Å; N80-E84 WeakPolarHBondContact CB-OE2 3.47Å; N80-E84 VanDerWaalsContact CG-CD 3.44Å; N80-E84 VanDerWaalsContact CG-OE1 3.24Å; N80-E84 VanDerWaalsContact ND2-CD 3.28Å; N80-E84 PolarHBondContact ND2-OE1 3.2Å; N80-E84 VanDerWaalsContact ND2-OE1 3.09Å; N80-E84 PolarHBondContact ND2-OE2 3.42Å; N80-E84 PolarHBondContact O-N 3.36Å; N80-R85 PolarHBondContact O-N 3.03Å
81	F	97.7	Very high	96.6	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	21%	0.212	C	C	.	.	I	π-helix	trans	-52.9	-53.8	-174.8	-171.9	-92	0	0	0	112.8	N78 E79 R85 Y86 I92 A124 T125 V126 E150 D151 W174	N78-F81 HydrophobicContact CB-CB 4.38Å; N78-F81 WeakPolarHBondContact O-CB 3.28Å; N78-F81 PolarHBondContact O-N 3.01Å; N78-F81 PolarHBondContact OD1-N 2.9Å; E79-F81 VanDerWaalsContact C-N 3.29Å; E79-F81 PolarHBondContact O-N 3.38Å; F81-R85 WeakPolarHBondContact O-CB 3.33Å; F81-Y86 AromaticContact CD1-CD2 3.86Å; F81-Y86 HydrophobicContact CD1-CD2 3.86Å; F81-Y86 HydrophobicContact CD1-CE2 4.45Å; F81-Y86 HydrophobicContact CD2-CD2 4.19Å; F81-Y86 HydrophobicContact CD2-CE2 4.11Å; F81-Y86 AromaticContact CE1-CD2 3.44Å; F81-Y86 HydrophobicContact CE1-CD2 3.44Å; F81-Y86 VanDerWaalsContact CE1-CD2 3.44Å; F81-Y86 AromaticContact CE1-CE2 3.81Å; F81-Y86 HydrophobicContact CE1-CE2 3.81Å; F81-Y86 HydrophobicContact CE1-CG 4.5Å; F81-Y86 AromaticContact CE2-CD2 3.84Å; F81-Y86 HydrophobicContact CE2-CD2 3.84Å; F81-Y86 AromaticContact CE2-CE2 3.44Å; F81-Y86 HydrophobicContact CE2-CE2 3.44Å; F81-Y86 VanDerWaalsContact CE2-CE2 3.44Å; F81-Y86 HydrophobicContact CG-CD2 4.21Å; F81-Y86 AromaticContact CZ-CD2 3.43Å; F81-Y86 HydrophobicContact CZ-CD2 3.43Å; F81-Y86 VanDerWaalsContact CZ-CD2 3.43Å; F81-Y86 AromaticContact CZ-CE2 3.25Å; F81-Y86 HydrophobicContact CZ-CE2 3.25Å; F81-Y86 WeakPolarHBondContact O-CD2 3.34Å; F81-Y86 PolarHBondContact O-N 3.41Å; F81-I92 HydrophobicContact CD1-CD1 4.37Å; F81-I92 HydrophobicContact CE1-CD1 3.75Å; F81-A124 HydrophobicContact CE1-CB 3.86Å; F81-A124 HydrophobicContact CZ-CB 4.32Å; F81-T125 VanDerWaalsContact CZ-O 3.26Å; F81-T125 WeakPolarHBondContact CZ-O 3.26Å; F81-V126 HydrophobicContact CD1-CG1 3.86Å; F81-V126 HydrophobicContact CD2-CG1 4.04Å; F81-V126 HydrophobicContact CE1-CG1 3.45Å; F81-V126 VanDerWaalsContact CE1-CG1 3.45Å; F81-V126 HydrophobicContact CE2-CG1 3.62Å; F81-V126 HydrophobicContact CG-CG1 4.14Å; F81-V126 HydrophobicContact CZ-CG1 3.32Å; F81-E150 WeakPolarHBondContact CD2-O 3.42Å; F81-E150 WeakPolarHBondContact CE2-O 3.26Å; F81-D151 HydrophobicContact CE2-CB 4.08Å; F81-W174 HydrophobicContact CB-CZ2 4.29Å; F81-W174 HydrophobicContact CD1-CH2 4Å; F81-W174 HydrophobicContact CD1-CZ2 4.25Å; F81-W174 HydrophobicContact CG-CZ2 4.41Å
82	C	97.9	Very high	96.9	Very high	15 Å²	15	44.1 Å²	44.1	10%	0.101	20%	0.204	C	C	.	.	I	π-helix	trans	-93.5	-7.6	176.1	-72.5	0	0	0	0	113.5	N80 Y86 P87 Y178 C179	N80-C82 PolarHBondContact O-N 3.26Å; C82-Y86 CarbonylContact O-C 3.42Å; C82-P87 VanDerWaalsContact O-CA 3.24Å; C82-P87 WeakPolarHBondContact O-CA 3.27Å; C82-Y178 VanDerWaalsContact CB-O 3.28Å; C82-Y178 WeakPolarHBondContact CB-O 3.45Å; C82-C179 HydrophobicContact CB-CB 3.74Å; C82-C179 WeakPolarHBondContact CB-SG 3.3Å; C82-C179 WeakPolarHBondContact SG-CB 3.41Å; C82-C179 CovalentContact SG-SG 2.04Å; C82-C179 PolarHBondContact SG-SG 2.8Å
83	R	96.3	Very high	97.1	Very high	157 Å²	157	43.7 Å²	43.7	59%	0.592	20%	0.202	S	C	*	.	I	π-helix	trans	-87.4	-45.2	-179.9	-170.9	177.7	72	-162.6	6.1	112.3	N80	N80-R83 PolarHBondContact O-N 3.45Å; N80-R83 VanDerWaalsContact O-N 3.15Å; N80-R83 PolarHBondContact OD1-NH2 2.82Å
84	E	96.4	Very high	97.2	Very high	117 Å²	117	39.3 Å²	39.3	55%	0.547	19%	0.185	S	C	.	.	I	π-helix	trans	-112.8	-44	-173	-66.6	165.4	-157	0	0	111.1	N80	N80-E84 HydrophobicContact CB-CB 4.07Å; N80-E84 HydrophobicContact CB-CG 4.05Å; N80-E84 WeakPolarHBondContact CB-OE2 3.47Å; N80-E84 VanDerWaalsContact CG-CD 3.44Å; N80-E84 VanDerWaalsContact CG-OE1 3.24Å; N80-E84 VanDerWaalsContact ND2-CD 3.28Å; N80-E84 PolarHBondContact ND2-OE1 3.2Å; N80-E84 VanDerWaalsContact ND2-OE1 3.09Å; N80-E84 PolarHBondContact ND2-OE2 3.42Å; N80-E84 PolarHBondContact O-N 3.36Å
85	R	95.9	Very high	97.3	Very high	83 Å²	83	39 Å²	39	31%	0.313	18%	0.184	S	C	.	.	I	π-helix	trans	-80.1	-41.8	-175.3	-168.7	-179.8	-177	98	-4.9	112.8	N80 F81 P87 E150	N80-R85 PolarHBondContact O-N 3.03Å; F81-R85 WeakPolarHBondContact O-CB 3.33Å; R85-P87 VanDerWaalsContact C-CD 3.49Å; R85-E150 IonicContact CZ-OE2 2.74Å; R85-E150 IonicContact NE-OE2 2.72Å; R85-E150 IonicContact NH1-OE1 3.49Å; R85-E150 PolarHBondContact NH1-OE1 3.29Å; R85-E150 IonicContact NH1-OE2 3.47Å; R85-E150 PolarHBondContact NH1-OE2 2.01Å
86	Y	97.5	Very high	97.5	Very high	11 Å²	11	38.3 Å²	38.3	4%	0.043	18%	0.179	C	C	.	.	S	Bend	trans	-131.4	59.6	-177.5	-55.4	-65.2	0	0	0	113.2	F81 C82 E88 T89 N115 Y118 A124	F81-Y86 AromaticContact CD1-CD2 3.86Å; F81-Y86 HydrophobicContact CD1-CD2 3.86Å; F81-Y86 HydrophobicContact CD1-CE2 4.45Å; F81-Y86 HydrophobicContact CD2-CD2 4.19Å; F81-Y86 HydrophobicContact CD2-CE2 4.11Å; F81-Y86 AromaticContact CE1-CD2 3.44Å; F81-Y86 HydrophobicContact CE1-CD2 3.44Å; F81-Y86 VanDerWaalsContact CE1-CD2 3.44Å; F81-Y86 AromaticContact CE1-CE2 3.81Å; F81-Y86 HydrophobicContact CE1-CE2 3.81Å; F81-Y86 HydrophobicContact CE1-CG 4.5Å; F81-Y86 AromaticContact CE2-CD2 3.84Å; F81-Y86 HydrophobicContact CE2-CD2 3.84Å; F81-Y86 AromaticContact CE2-CE2 3.44Å; F81-Y86 HydrophobicContact CE2-CE2 3.44Å; F81-Y86 VanDerWaalsContact CE2-CE2 3.44Å; F81-Y86 HydrophobicContact CG-CD2 4.21Å; F81-Y86 AromaticContact CZ-CD2 3.43Å; F81-Y86 HydrophobicContact CZ-CD2 3.43Å; F81-Y86 VanDerWaalsContact CZ-CD2 3.43Å; F81-Y86 AromaticContact CZ-CE2 3.25Å; F81-Y86 HydrophobicContact CZ-CE2 3.25Å; F81-Y86 WeakPolarHBondContact O-CD2 3.34Å; F81-Y86 PolarHBondContact O-N 3.41Å; C82-Y86 CarbonylContact O-C 3.42Å; Y86-E88 VanDerWaalsContact C-N 3.26Å; Y86-E88 PolarHBondContact O-N 3.09Å; Y86-T89 WeakPolarHBondContact CB-OG1 3.4Å; Y86-T89 PolarHBondContact O-N 3.24Å; Y86-T89 PolarHBondContact O-OG1 2.95Å; Y86-N115 PolarHBondContact OH-ND2 3.19Å; Y86-N115 PolarHBondContact OH-OD1 3Å; Y86-Y118 VanDerWaalsContact C-OH 3.22Å; Y86-Y118 WeakPolarHBondContact CA-OH 3.26Å; Y86-Y118 AromaticContact CD1-CD1 3.63Å; Y86-Y118 HydrophobicContact CD1-CD1 3.63Å; Y86-Y118 AromaticContact CD1-CD2 3.37Å; Y86-Y118 HydrophobicContact CD1-CD2 3.37Å; Y86-Y118 AromaticContact CD1-CE1 3.82Å; Y86-Y118 HydrophobicContact CD1-CE1 3.82Å; Y86-Y118 AromaticContact CD1-CE2 3.59Å; Y86-Y118 HydrophobicContact CD1-CE2 3.59Å; Y86-Y118 AromaticContact CD1-CG 3.39Å; Y86-Y118 HydrophobicContact CD1-CG 3.39Å; Y86-Y118 AromaticContact CD1-CZ 3.8Å; Y86-Y118 HydrophobicContact CE1-CD1 4.04Å; Y86-Y118 HydrophobicContact CE1-CD2 4.12Å; Y86-Y118 AromaticContact CE1-CG 3.76Å; Y86-Y118 HydrophobicContact CE1-CG 3.76Å; Y86-Y118 HydrophobicContact CG-CD2 4.09Å; Y86-Y118 HydrophobicContact CG-CE2 4.03Å; Y86-Y118 HydrophobicContact CG-CG 4.5Å; Y86-A124 HydrophobicContact CD1-CB 4.21Å; Y86-A124 HydrophobicContact CD2-CB 3.82Å; Y86-A124 HydrophobicContact CE2-CB 4.36Å; Y86-A124 HydrophobicContact CG-CB 3.71Å
87	P	97	Very high	97.6	Very high	67 Å²	67	38.3 Å²	38.3	44%	0.435	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24	-173.7	24.8	-35.5	0	0	0	115.6	C82 R85 Y118	C82-P87 VanDerWaalsContact O-CA 3.24Å; C82-P87 WeakPolarHBondContact O-CA 3.27Å; R85-P87 VanDerWaalsContact C-CD 3.49Å; P87-Y118 WeakPolarHBondContact CD-OH 3.36Å
88	E	97	Very high	97.6	Very high	120 Å²	120	39.3 Å²	39.3	56%	0.561	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	17.9	-173.6	-60.9	178.8	101.5	0	0	112.5	Y86 F90 Y118 K122	Y86-E88 VanDerWaalsContact C-N 3.26Å; Y86-E88 PolarHBondContact O-N 3.09Å; E88-F90 PolarHBondContact O-N 2.9Å; E88-F90 VanDerWaalsContact O-N 3.14Å; E88-Y118 PolarHBondContact N-OH 2.89Å; E88-K122 HydrophobicContact CB-CD 3.96Å; E88-K122 VanDerWaalsContact O-CB 3.22Å; E88-K122 WeakPolarHBondContact O-CB 3.1Å; E88-K122 WeakPolarHBondContact O-CG 3.37Å; E88-K122 IonicContact OE1-NZ 3.85Å; E88-K122 IonicContact OE2-NZ 2.73Å; E88-K122 PolarHBondContact OE2-NZ 3.14Å
89	T	98.1	Very high	97.6	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	18%	0.175	C	C	.	.			trans	-50.1	121.4	-177.4	-66.5	0	0	0	0	111.7	Y86 V91 I92 K122 A124 A182	Y86-T89 WeakPolarHBondContact CB-OG1 3.4Å; Y86-T89 PolarHBondContact O-N 3.24Å; Y86-T89 PolarHBondContact O-OG1 2.95Å; T89-V91 VanDerWaalsContact CG2-O 3.26Å; T89-V91 WeakPolarHBondContact CG2-O 3.45Å; T89-I92 HydrophobicContact CG2-CB 4.02Å; T89-K122 CarbonylContact C-O 3.57Å; T89-K122 WeakPolarHBondContact CA-O 3.45Å; T89-A124 HydrophobicContact CG2-CB 4.1Å; T89-A182 HydrophobicContact CG2-CB 3.95Å; T89-A182 VanDerWaalsContact O-CA 3.29Å; T89-A182 WeakPolarHBondContact O-CA 3.38Å
90	F	98.1	Very high	97.7	Very high	31 Å²	31	38.7 Å²	38.7	14%	0.136	18%	0.178	C	C	.	.	S	Bend	trans	-89.8	-41.2	171	175.7	-114.1	0	0	0	111	E88 K122 S183 Y184 M200 L203 Q204 N207	E88-F90 PolarHBondContact O-N 2.9Å; E88-F90 VanDerWaalsContact O-N 3.14Å; F90-K122 HydrophobicContact CB-CB 3.87Å; F90-K122 PolarHBondContact N-O 2.84Å; F90-S183 VanDerWaalsContact CE2-CB 3.49Å; F90-S183 PolarHBondContact O-N 2.83Å; F90-Y184 HydrophobicContact CE1-CD2 4.29Å; F90-Y184 HydrophobicContact CE2-CD2 4.04Å; F90-Y184 HydrophobicContact CE2-CE2 4.03Å; F90-Y184 AromaticContact CZ-CD2 3.74Å; F90-Y184 HydrophobicContact CZ-CD2 3.74Å; F90-Y184 AromaticContact CZ-CE2 3.71Å; F90-Y184 HydrophobicContact CZ-CE2 3.71Å; F90-Y184 PolarHBondContact O-N 3.18Å; F90-Y184 VanDerWaalsContact O-N 3.09Å; F90-M200 HydrophobicContact CD1-CE 3.54Å; F90-M200 HydrophobicContact CE1-CE 4.03Å; F90-L203 HydrophobicContact CE1-CB 4.26Å; F90-Q204 HydrophobicContact CD1-CG 4.25Å; F90-Q204 HydrophobicContact CE1-CG 3.58Å; F90-Q204 HydrophobicContact CZ-CG 4.05Å; F90-N207 HydrophobicContact CE2-CB 4.14Å; F90-N207 HydrophobicContact CZ-CB 3.95Å
91	V	98.6	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.3	174.9	-176.4	0	0	0	0	109.4	T89 K122 L123 A124 Y184 L186 M200 L203	T89-V91 VanDerWaalsContact CG2-O 3.26Å; T89-V91 WeakPolarHBondContact CG2-O 3.45Å; V91-K122 PolarHBondContact N-O 3.21Å; V91-L123 HydrophobicContact CB-CD1 3.92Å; V91-L123 HydrophobicContact CG1-CD1 3.89Å; V91-L123 WeakPolarHBondContact O-CA 3.3Å; V91-A124 PolarHBondContact O-N 2.9Å; V91-A124 VanDerWaalsContact O-N 3.07Å; V91-Y184 WeakPolarHBondContact CA-O 3.33Å; V91-L186 HydrophobicContact CG1-CB 3.72Å; V91-M200 HydrophobicContact CB-CE 4.22Å; V91-M200 HydrophobicContact CB-SD 4.09Å; V91-M200 HydrophobicContact CG2-CE 3.48Å; V91-M200 VanDerWaalsContact CG2-CE 3.48Å; V91-M200 HydrophobicContact CG2-SD 3.67Å; V91-L203 HydrophobicContact CG1-CD1 4.41Å; V91-L203 HydrophobicContact CG2-CD1 3.89Å
92	I	98.6	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.1	166.9	-176.6	60.9	0	0	0	109.1	F81 T89 I94 A124 V126 W174 A182 Y184 I185 L186 M259	F81-I92 HydrophobicContact CD1-CD1 4.37Å; F81-I92 HydrophobicContact CE1-CD1 3.75Å; T89-I92 HydrophobicContact CG2-CB 4.02Å; I92-I94 HydrophobicContact CG1-CD1 3.84Å; I92-A124 HydrophobicContact CD1-CB 4Å; I92-V126 HydrophobicContact CD1-CG2 4.39Å; I92-W174 HydrophobicContact CD1-CH2 4.13Å; I92-W174 HydrophobicContact CD1-CZ3 4.23Å; I92-W174 HydrophobicContact CG1-CH2 4.26Å; I92-W174 HydrophobicContact CG1-CZ3 3.87Å; I92-A182 HydrophobicContact CB-CB 4.4Å; I92-A182 HydrophobicContact CG2-CB 4.02Å; I92-Y184 PolarHBondContact N-O 3.09Å; I92-I185 HydrophobicContact CG2-CB 4.21Å; I92-I185 HydrophobicContact CG2-CG1 3.67Å; I92-I185 HydrophobicContact CG2-CG2 4.32Å; I92-I185 CarbonylContact O-C 3.16Å; I92-I185 VanDerWaalsContact O-CA 3.3Å; I92-I185 WeakPolarHBondContact O-CA 3.29Å; I92-L186 PolarHBondContact O-N 3.45Å; I92-M259 HydrophobicContact CG2-CE 4.18Å
93	A	98.7	Very high	97.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.7	173.7	0	0	0	0	0	110.2	W112 L123 A124 T125 V126 L186	A93-W112 HydrophobicContact CB-CZ3 4.32Å; A93-L123 HydrophobicContact CB-CD1 3.98Å; A93-A124 PolarHBondContact N-O 3.07Å; A93-T125 HydrophobicContact CB-CG2 4.03Å; A93-T125 CarbonylContact O-C 3.53Å; A93-T125 WeakPolarHBondContact O-CA 3.32Å; A93-V126 PolarHBondContact O-N 2.74Å; A93-L186 CarbonylContact C-O 3.6Å; A93-L186 VanDerWaalsContact CA-O 3.24Å; A93-L186 WeakPolarHBondContact CA-O 3.39Å; A93-L186 HydrophobicContact CB-CB 4.37Å; A93-L186 HydrophobicContact CB-CD2 4.49Å
94	I	98.8	Very high	97.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.8	175.4	-50	-61.2	0	0	0	108	I92 V126 A128 W171 W174 I185 L186 K187 V188	I92-I94 HydrophobicContact CG1-CD1 3.84Å; I94-V126 HydrophobicContact CD1-CG2 3.32Å; I94-A128 HydrophobicContact CG2-CB 3.72Å; I94-W171 HydrophobicContact CB-CD2 4.43Å; I94-W171 HydrophobicContact CG1-CD2 4.26Å; I94-W171 HydrophobicContact CG1-CE3 3.92Å; I94-W171 HydrophobicContact CG2-CB 3.88Å; I94-W171 HydrophobicContact CG2-CD2 4.01Å; I94-W171 HydrophobicContact CG2-CG 3.69Å; I94-W174 HydrophobicContact CD1-CE3 4.07Å; I94-W174 HydrophobicContact CD1-CZ3 3.72Å; I94-I185 HydrophobicContact CG1-CG2 3.67Å; I94-L186 PolarHBondContact N-O 2.82Å; I94-K187 WeakPolarHBondContact O-CA 3.49Å; I94-V188 PolarHBondContact O-N 3.35Å
95	V	98.7	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.7	177.9	-171.8	0	0	0	0	109.4	S97 I108 W112 T125 V126 F127 A128 V188 D190	V95-S97 PolarHBondContact O-N 3.47Å; V95-S97 VanDerWaalsContact O-N 3.16Å; V95-I108 HydrophobicContact CG1-CD1 3.98Å; V95-W112 HydrophobicContact CG2-CH2 3.54Å; V95-W112 HydrophobicContact CG2-CZ2 4.32Å; V95-W112 HydrophobicContact CG2-CZ3 4.34Å; V95-T125 HydrophobicContact CG2-CG2 3.66Å; V95-V126 PolarHBondContact N-O 3.09Å; V95-F127 HydrophobicContact CB-CD1 3.55Å; V95-F127 HydrophobicContact CB-CE1 3.88Å; V95-F127 HydrophobicContact CB-CG 4.41Å; V95-F127 HydrophobicContact CG1-CD1 3.75Å; V95-F127 HydrophobicContact CG1-CE1 3.87Å; V95-F127 HydrophobicContact CG2-CD1 4.14Å; V95-F127 HydrophobicContact CG2-CE1 4.04Å; V95-F127 CarbonylContact O-C 3.5Å; V95-F127 WeakPolarHBondContact O-CA 3.3Å; V95-A128 PolarHBondContact O-N 2.86Å; V95-V188 CarbonylContact C-O 3.5Å; V95-V188 VanDerWaalsContact CA-O 3.26Å; V95-V188 WeakPolarHBondContact CA-O 3.26Å; V95-D190 HydrophobicContact CG1-CB 3.88Å
96	H	98.4	Very high	97.7	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.046	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	111.1	168.6	-86.7	-149.8	0	0	0	108.8	W171 K187 V188 D190	H96-W171 AromaticContact CD2-CD1 3.96Å; H96-W171 AromaticContact CD2-NE1 3.9Å; H96-W171 AromaticContact CE1-NE1 3.8Å; H96-W171 AromaticContact NE2-CD1 3.12Å; H96-W171 AromaticContact NE2-NE1 2.93Å; H96-W171 PolarHBondContact NE2-NE1 3.11Å; H96-K187 WeakPolarHBondContact ND1-CE 3.37Å; H96-V188 PolarHBondContact N-O 3.3Å; H96-D190 WeakPolarHBondContact O-CB 3.19Å; H96-D190 PolarHBondContact O-N 3.38Å
97	S	98.3	Very high	97.7	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	17%	0.167	C	C	.	.			trans	-125.2	172.9	175.9	-162.7	0	0	0	0	110.4	V95 R105 A128 M129 K167 D190	V95-S97 PolarHBondContact O-N 3.47Å; V95-S97 VanDerWaalsContact O-N 3.16Å; S97-R105 PolarHBondContact OG-NH1 3.46Å; S97-A128 PolarHBondContact N-O 3.36Å; S97-A128 VanDerWaalsContact N-O 3.1Å; S97-M129 WeakPolarHBondContact O-CB 3.24Å; S97-K167 PolarHBondContact O-NZ 2.79Å; S97-D190 VanDerWaalsContact CA-OD2 3.32Å; S97-D190 WeakPolarHBondContact CA-OD2 3.17Å; S97-D190 WeakPolarHBondContact CB-OD2 3.38Å; S97-D190 PolarHBondContact OG-OD2 2.81Å
98	H	97.3	Very high	97.7	Very high	52 Å²	52	31.3 Å²	31.3	24%	0.241	15%	0.146	C	C	.	.			trans	-113.6	146.9	173.6	-175.3	-88.2	0	0	0	109	K100 N101 R105 D132 D159	H98-K100 PolarHBondContact ND1-N 3.31Å; H98-K100 PolarHBondContact O-N 3.17Å; H98-N101 HydrophobicContact CB-CB 4.46Å; H98-N101 WeakPolarHBondContact O-CB 3.43Å; H98-N101 PolarHBondContact O-N 2.94Å; H98-R105 PolarHBondContact O-NH1 3.17Å; H98-D132 IonicContact CE1-OD2 3.65Å; H98-D159 IonicContact CD2-OD1 2.79Å
99	P	97.9	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-45.8	-180	-37.5	42	0	0	0	114.4	N101 F102 R105 M129 G130 D132 V138 L142 D159	P99-N101 VanDerWaalsContact C-N 3.33Å; P99-N101 PolarHBondContact O-N 3.49Å; P99-F102 WeakPolarHBondContact O-CE2 3.39Å; P99-F102 WeakPolarHBondContact O-CZ 3.33Å; P99-R105 PolarHBondContact O-NH1 2.06Å; P99-R105 PolarHBondContact O-NH2 3.15Å; P99-M129 HydrophobicContact CG-CB 4.44Å; P99-M129 HydrophobicContact CG-CG 4.4Å; P99-M129 HydrophobicContact CG-SD 4.31Å; P99-G130 WeakPolarHBondContact CG-O 3.4Å; P99-D132 HydrophobicContact CB-CB 3.82Å; P99-D132 HydrophobicContact CG-CB 3.99Å; P99-V138 HydrophobicContact CB-CG1 3.54Å; P99-L142 HydrophobicContact CB-CD1 3.86Å; P99-L142 HydrophobicContact CG-CD1 4.44Å; P99-D159 HydrophobicContact CG-CB 4.29Å
100	K	96.8	Very high	97.6	Very high	90 Å²	90	32.9 Å²	32.9	39%	0.391	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.2	179.7	-65.9	172.9	167.9	129.7	0	115.9	H98 F102 D132 V138	H98-K100 PolarHBondContact ND1-N 3.31Å; H98-K100 PolarHBondContact O-N 3.17Å; K100-F102 WeakPolarHBondContact O-CD2 3.47Å; K100-F102 PolarHBondContact O-N 3.42Å; K100-D132 WeakPolarHBondContact CD-OD2 3.36Å; K100-D132 WeakPolarHBondContact CE-OD2 3.45Å; K100-D132 WeakPolarHBondContact CG-OD2 3.47Å; K100-D132 IonicContact NZ-OD1 3.5Å; K100-D132 PolarHBondContact NZ-OD1 3.19Å; K100-D132 IonicContact NZ-OD2 2.68Å; K100-D132 PolarHBondContact NZ-OD2 3.19Å; K100-V138 HydrophobicContact CG-CG2 4.06Å
101	N	96.6	Very high	97.5	Very high	34 Å²	34	31.4 Å²	31.4	18%	0.182	14%	0.143	C	C	.	.			trans	-82.2	39.8	-172.1	-72.5	-3.4	0	0	0	114.5	H98 P99 K103 R104 R105 D190	H98-N101 HydrophobicContact CB-CB 4.46Å; H98-N101 WeakPolarHBondContact O-CB 3.43Å; H98-N101 PolarHBondContact O-N 2.94Å; P99-N101 VanDerWaalsContact C-N 3.33Å; P99-N101 PolarHBondContact O-N 3.49Å; N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 2.95Å; N101-R104 HydrophobicContact CB-CB 4.24Å; N101-R104 HydrophobicContact CB-CG 4.32Å; N101-R104 PolarHBondContact O-N 2.97Å; N101-R105 PolarHBondContact O-N 3.09Å; N101-R105 VanDerWaalsContact O-N 3.12Å; N101-D190 WeakPolarHBondContact CB-OD2 3.49Å; N101-D190 PolarHBondContact ND2-OD2 3.11Å
102	F	97.1	Very high	97.2	Very high	54 Å²	54	31.4 Å²	31.4	24%	0.237	14%	0.143	C	C	.	.	H	α-helix	trans	-52.4	-45.1	-178.2	-62.2	-81.2	0	0	0	113.2	P99 K100 R104 R105 S106 V138 T141 L142 E145	P99-F102 WeakPolarHBondContact O-CE2 3.39Å; P99-F102 WeakPolarHBondContact O-CZ 3.33Å; K100-F102 WeakPolarHBondContact O-CD2 3.47Å; K100-F102 PolarHBondContact O-N 3.42Å; F102-R104 VanDerWaalsContact C-N 3.34Å; F102-R104 PolarHBondContact O-N 2.92Å; F102-R105 PolarHBondContact O-N 3.25Å; F102-S106 WeakPolarHBondContact O-CB 3.3Å; F102-S106 PolarHBondContact O-N 3.48Å; F102-V138 HydrophobicContact CE2-CG1 4.18Å; F102-V138 HydrophobicContact CZ-CG1 3.97Å; F102-T141 HydrophobicContact CD1-CG2 4.09Å; F102-T141 HydrophobicContact CE1-CG2 3.5Å; F102-T141 VanDerWaalsContact CE1-CG2 3.5Å; F102-T141 HydrophobicContact CE2-CG2 4.39Å; F102-T141 HydrophobicContact CZ-CG2 3.67Å; F102-L142 HydrophobicContact CE1-CD2 3.86Å; F102-L142 HydrophobicContact CE1-CG 4.1Å; F102-L142 HydrophobicContact CZ-CD2 4.26Å; F102-L142 HydrophobicContact CZ-CG 4.13Å; F102-E145 WeakPolarHBondContact CD1-OE2 3.2Å; F102-E145 WeakPolarHBondContact CE1-OE2 3.21Å
103	K	96.5	Very high	97.1	Very high	142 Å²	142	31.7 Å²	31.7	62%	0.617	15%	0.146	S	C	*	.	H	α-helix	trans	-64	-37.5	-179.8	-66.7	-177.2	-178.7	177	0	112.2	N101 L107 M325	N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 2.95Å; K103-L107 WeakPolarHBondContact O-CB 3.47Å; K103-L107 PolarHBondContact O-N 3.09Å; K103-M325 HydrophobicContact CB-CE 4.26Å; K103-M325 HydrophobicContact CB-SD 4.15Å
104	R	96.7	Very high	96.8	Very high	51 Å²	51	34.2 Å²	34.2	19%	0.192	16%	0.159	C	C	.	.	H	α-helix	trans	-67.4	-45.7	177.6	-62	-172.4	178.9	-172.3	-2.8	111	N101 F102 L107 I108 D190 M325	N101-R104 HydrophobicContact CB-CB 4.24Å; N101-R104 HydrophobicContact CB-CG 4.32Å; N101-R104 PolarHBondContact O-N 2.97Å; F102-R104 VanDerWaalsContact C-N 3.34Å; F102-R104 PolarHBondContact O-N 2.92Å; R104-L107 PolarHBondContact O-N 3.12Å; R104-I108 WeakPolarHBondContact O-CG1 3.1Å; R104-I108 PolarHBondContact O-N 2.83Å; R104-D190 HydrophobicContact CB-CB 4.34Å; R104-D190 WeakPolarHBondContact CD-OD1 3.27Å; R104-D190 IonicContact CZ-OD1 3.81Å; R104-D190 IonicContact NE-OD1 3.27Å; R104-D190 IonicContact NH1-OD1 3.61Å; R104-D190 PolarHBondContact NH1-OD1 3.33Å; R104-M325 HydrophobicContact CG-SD 4.35Å
105	R	97.9	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-47.7	175.8	-62.6	-166.3	-70.9	-83.2	5.9	111.9	S97 H98 P99 N101 F102 L107 I108 R109 F127 L142 E145	S97-R105 PolarHBondContact OG-NH1 3.46Å; H98-R105 PolarHBondContact O-NH1 3.17Å; P99-R105 PolarHBondContact O-NH1 2.06Å; P99-R105 PolarHBondContact O-NH2 3.15Å; N101-R105 PolarHBondContact O-N 3.09Å; N101-R105 VanDerWaalsContact O-N 3.12Å; F102-R105 PolarHBondContact O-N 3.25Å; R105-L107 VanDerWaalsContact C-N 3.3Å; R105-L107 PolarHBondContact O-N 2.86Å; R105-I108 PolarHBondContact O-N 3.14Å; R105-I108 VanDerWaalsContact O-N 3.16Å; R105-R109 WeakPolarHBondContact O-CG 3.33Å; R105-R109 PolarHBondContact O-N 3.01Å; R105-F127 HydrophobicContact CB-CD1 4.08Å; R105-F127 HydrophobicContact CB-CD2 4.47Å; R105-F127 HydrophobicContact CB-CE1 3.84Å; R105-F127 HydrophobicContact CB-CE2 4.25Å; R105-F127 HydrophobicContact CB-CG 4.39Å; R105-F127 HydrophobicContact CB-CZ 3.92Å; R105-F127 VanDerWaalsContact CD-CG 3.5Å; R105-F127 HydrophobicContact CG-CB 4.46Å; R105-F127 HydrophobicContact CG-CD1 3.48Å; R105-F127 VanDerWaalsContact CG-CD1 3.48Å; R105-F127 HydrophobicContact CG-CD2 4.39Å; R105-F127 HydrophobicContact CG-CE1 3.7Å; R105-F127 HydrophobicContact CG-CG 3.86Å; R105-F127 HydrophobicContact CG-CZ 4.25Å; R105-L142 VanDerWaalsContact NH2-CD2 3.29Å; R105-E145 IonicContact CZ-OE1 2.75Å; R105-E145 IonicContact CZ-OE2 2.78Å; R105-E145 IonicContact NE-OE1 3.33Å; R105-E145 PolarHBondContact NE-OE1 3.22Å; R105-E145 IonicContact NE-OE2 3.74Å; R105-E145 PolarHBondContact NE-OE2 3.01Å; R105-E145 VanDerWaalsContact NE-OE2 3.14Å; R105-E145 IonicContact NH2-OE1 3.14Å; R105-E145 IonicContact NH2-OE2 2.72Å; R105-E145 PolarHBondContact NH2-OE2 3.08Å
106	S	97.4	Very high	96.2	Very high	37 Å²	37	44.7 Å²	44.7	26%	0.259	21%	0.211	S	C	.	.	H	α-helix	trans	-57.1	-43.1	175.8	-174.8	0	0	0	0	112.2	F102 R109 K110	F102-S106 WeakPolarHBondContact O-CB 3.3Å; F102-S106 PolarHBondContact O-N 3.48Å; S106-R109 PolarHBondContact O-N 2.73Å; S106-K110 WeakPolarHBondContact O-CG 3.39Å; S106-K110 PolarHBondContact O-N 3.42Å; S106-K110 VanDerWaalsContact O-N 3.15Å
107	L	96.6	Very high	96	Very high	24 Å²	24	45 Å²	45	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-43.3	176.8	-176.6	65.4	0	0	0	112.1	K103 R104 R105 R109 K110 M111 M325 R328 Y329	K103-L107 WeakPolarHBondContact O-CB 3.47Å; K103-L107 PolarHBondContact O-N 3.09Å; R104-L107 PolarHBondContact O-N 3.12Å; R105-L107 VanDerWaalsContact C-N 3.3Å; R105-L107 PolarHBondContact O-N 2.86Å; L107-R109 PolarHBondContact O-N 2.95Å; L107-K110 PolarHBondContact O-N 3.4Å; L107-M111 HydrophobicContact CD1-CG 4.37Å; L107-M111 HydrophobicContact CD1-SD 4.16Å; L107-M111 HydrophobicContact CD2-CE 4.11Å; L107-M111 HydrophobicContact CD2-SD 4.4Å; L107-M111 HydrophobicContact CG-CE 3.74Å; L107-M111 HydrophobicContact CG-CG 4.46Å; L107-M111 HydrophobicContact CG-SD 3.96Å; L107-M111 VanDerWaalsContact O-CG 3.28Å; L107-M111 WeakPolarHBondContact O-CG 3.02Å; L107-M111 PolarHBondContact O-N 3.01Å; L107-M325 HydrophobicContact CD2-CB 3.64Å; L107-M325 HydrophobicContact CD2-CG 3.7Å; L107-M325 HydrophobicContact CD2-SD 4.21Å; L107-R328 HydrophobicContact CD2-CB 4.43Å; L107-Y329 HydrophobicContact CD1-CD2 3.8Å; L107-Y329 HydrophobicContact CD1-CG 4.24Å
108	I	97.3	Very high	95.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-43.4	178.2	-72.5	167.2	0	0	0	111.1	V95 R104 R105 K110 M111 W112 A113 F127 D190	V95-I108 HydrophobicContact CG1-CD1 3.98Å; R104-I108 WeakPolarHBondContact O-CG1 3.1Å; R104-I108 PolarHBondContact O-N 2.83Å; R105-I108 PolarHBondContact O-N 3.14Å; R105-I108 VanDerWaalsContact O-N 3.16Å; I108-K110 VanDerWaalsContact C-N 3.3Å; I108-K110 PolarHBondContact O-N 3.42Å; I108-M111 HydrophobicContact CG1-CE 4.36Å; I108-M111 CarbonylContact O-C 3.48Å; I108-M111 WeakPolarHBondContact O-CA 3.28Å; I108-M111 PolarHBondContact O-N 3.3Å; I108-W112 HydrophobicContact CD1-CZ2 4.33Å; I108-W112 HydrophobicContact CG1-CZ2 4.26Å; I108-W112 HydrophobicContact CG2-CD2 4.22Å; I108-W112 HydrophobicContact CG2-CE3 4.5Å; I108-W112 HydrophobicContact CG2-CH2 3.92Å; I108-W112 HydrophobicContact CG2-CZ2 3.57Å; I108-W112 HydrophobicContact CG2-CZ3 4.35Å; I108-W112 PolarHBondContact O-N 2.87Å; I108-A113 HydrophobicContact CG2-CB 3.48Å; I108-A113 VanDerWaalsContact CG2-CB 3.48Å; I108-A113 WeakPolarHBondContact O-CB 3.05Å; I108-A113 PolarHBondContact O-N 3.3Å; I108-A113 VanDerWaalsContact O-N 3.11Å; I108-F127 HydrophobicContact CB-CE1 4.1Å; I108-F127 HydrophobicContact CB-CZ 4.07Å; I108-F127 HydrophobicContact CD1-CE1 4.12Å; I108-F127 HydrophobicContact CG2-CE1 3.91Å; I108-F127 HydrophobicContact CG2-CZ 3.8Å; I108-D190 HydrophobicContact CD1-CB 3.95Å
109	R	97.4	Very high	95.6	Very high	25 Å²	25	52.1 Å²	52.1	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-37	174.2	-68.1	-178.8	-170.6	106	2.7	113.1	R105 S106 L107 M111 N114 F127 E145 D151	R105-R109 WeakPolarHBondContact O-CG 3.33Å; R105-R109 PolarHBondContact O-N 3.01Å; S106-R109 PolarHBondContact O-N 2.73Å; L107-R109 PolarHBondContact O-N 2.95Å; R109-M111 VanDerWaalsContact C-N 3.26Å; R109-M111 PolarHBondContact O-N 3.36Å; R109-N114 VanDerWaalsContact O-CA 3.29Å; R109-N114 WeakPolarHBondContact O-CA 3.47Å; R109-N114 WeakPolarHBondContact O-CB 3.39Å; R109-N114 PolarHBondContact O-N 3.45Å; R109-F127 HydrophobicContact CG-CE2 3.95Å; R109-F127 HydrophobicContact CG-CZ 4.09Å; R109-E145 IonicContact CZ-OE1 3.8Å; R109-E145 IonicContact NH1-OE1 2.72Å; R109-E145 PolarHBondContact NH1-OE1 3.49Å; R109-E145 IonicContact NH2-OE1 2.64Å; R109-E145 PolarHBondContact NH2-OE1 3.46Å; R109-D151 IonicContact CZ-OD1 3.22Å; R109-D151 IonicContact CZ-OD2 3.44Å; R109-D151 IonicContact NE-OD1 2.74Å; R109-D151 PolarHBondContact NE-OD1 2.95Å; R109-D151 IonicContact NE-OD2 3Å; R109-D151 PolarHBondContact NE-OD2 3.04Å; R109-D151 IonicContact NH2-OD1 2.78Å; R109-D151 PolarHBondContact NH2-OD1 3.28Å; R109-D151 IonicContact NH2-OD2 3.9Å; R109-D151 PolarHBondContact NH2-OD2 3.27Å
110	K	95.7	Very high	95.2	Very high	136 Å²	136	56.4 Å²	56.4	59%	0.591	26%	0.26	S	S	*	.	H	α-helix	trans	-73.7	-17.9	174.8	-69.7	178.3	-176.8	-177.3	0	113.3	S106 L107 I108	S106-K110 WeakPolarHBondContact O-CG 3.39Å; S106-K110 PolarHBondContact O-N 3.42Å; S106-K110 VanDerWaalsContact O-N 3.15Å; L107-K110 PolarHBondContact O-N 3.4Å; I108-K110 VanDerWaalsContact C-N 3.3Å; I108-K110 PolarHBondContact O-N 3.42Å
111	M	95.1	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-118.1	-178.8	-64.6	-175.9	-49.1	0	0	110.6	L107 I108 R109 A113 N114 R328 Y329 W332	L107-M111 HydrophobicContact CD1-CG 4.37Å; L107-M111 HydrophobicContact CD1-SD 4.16Å; L107-M111 HydrophobicContact CD2-CE 4.11Å; L107-M111 HydrophobicContact CD2-SD 4.4Å; L107-M111 HydrophobicContact CG-CE 3.74Å; L107-M111 HydrophobicContact CG-CG 4.46Å; L107-M111 HydrophobicContact CG-SD 3.96Å; L107-M111 VanDerWaalsContact O-CG 3.28Å; L107-M111 WeakPolarHBondContact O-CG 3.02Å; L107-M111 PolarHBondContact O-N 3.01Å; I108-M111 HydrophobicContact CG1-CE 4.36Å; I108-M111 CarbonylContact O-C 3.48Å; I108-M111 WeakPolarHBondContact O-CA 3.28Å; I108-M111 PolarHBondContact O-N 3.3Å; R109-M111 VanDerWaalsContact C-N 3.26Å; R109-M111 PolarHBondContact O-N 3.36Å; M111-A113 VanDerWaalsContact C-N 3.34Å; M111-A113 PolarHBondContact O-N 2.84Å; M111-N114 WeakPolarHBondContact O-CB 3.24Å; M111-N114 PolarHBondContact O-N 2.91Å; M111-R328 HydrophobicContact CE-CB 4.23Å; M111-R328 HydrophobicContact SD-CB 4.23Å; M111-Y329 HydrophobicContact CG-CD2 3.85Å; M111-Y329 HydrophobicContact CG-CE2 4.4Å; M111-Y329 HydrophobicContact SD-CD2 4.15Å; M111-W332 VanDerWaalsContact C-CE2 3.48Å; M111-W332 HydrophobicContact CB-CB 4.22Å; M111-W332 HydrophobicContact CB-CD2 3.88Å; M111-W332 HydrophobicContact CB-CG 3.68Å; M111-W332 HydrophobicContact CG-CB 3.84Å; M111-W332 HydrophobicContact CG-CD2 4.39Å; M111-W332 HydrophobicContact CG-CG 3.66Å; M111-W332 VanDerWaalsContact O-CZ2 3.3Å; M111-W332 WeakPolarHBondContact O-CZ2 3.5Å; M111-W332 HydrophobicContact SD-CB 3.81Å; M111-W332 HydrophobicContact SD-CG 4.29Å
112	W	93.8	Very high	95.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.1	-167.8	58.3	-103.9	0	0	0	113.7	A93 V95 I108 N114 F117 T125 V188 V194 I196 W332	A93-W112 HydrophobicContact CB-CZ3 4.32Å; V95-W112 HydrophobicContact CG2-CH2 3.54Å; V95-W112 HydrophobicContact CG2-CZ2 4.32Å; V95-W112 HydrophobicContact CG2-CZ3 4.34Å; I108-W112 HydrophobicContact CD1-CZ2 4.33Å; I108-W112 HydrophobicContact CG1-CZ2 4.26Å; I108-W112 HydrophobicContact CG2-CD2 4.22Å; I108-W112 HydrophobicContact CG2-CE3 4.5Å; I108-W112 HydrophobicContact CG2-CH2 3.92Å; I108-W112 HydrophobicContact CG2-CZ2 3.57Å; I108-W112 HydrophobicContact CG2-CZ3 4.35Å; I108-W112 PolarHBondContact O-N 2.87Å; W112-N114 VanDerWaalsContact C-N 3.34Å; W112-F117 WeakPolarHBondContact O-CD2 3.27Å; W112-T125 HydrophobicContact CZ3-CG2 4.29Å; W112-V188 HydrophobicContact CH2-CB 4.31Å; W112-V188 HydrophobicContact CH2-CG1 4.42Å; W112-V188 HydrophobicContact CH2-CG2 4.36Å; W112-V188 HydrophobicContact CZ2-CG1 4.22Å; W112-V194 HydrophobicContact CD2-CB 4.06Å; W112-V194 HydrophobicContact CD2-CG2 4.32Å; W112-V194 HydrophobicContact CG-CB 4.13Å; W112-V194 HydrophobicContact CH2-CG2 4.47Å; W112-V194 HydrophobicContact CZ2-CG2 4.02Å; W112-I196 HydrophobicContact CB-CG1 4.29Å; W112-I196 HydrophobicContact CB-CG2 3.69Å; W112-I196 HydrophobicContact CE3-CG2 4.22Å; W112-I196 HydrophobicContact CG-CG2 4.45Å; W112-W332 HydrophobicContact CB-CE3 4.09Å; W112-W332 HydrophobicContact CB-CH2 3.96Å; W112-W332 HydrophobicContact CB-CZ3 3.65Å
113	A	95.7	Very high	95.2	Very high	7 Å²	7	52.2 Å²	52.2	6%	0.058	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	17.6	173.8	0	0	0	0	0	112.9	I108 M111 T125	I108-A113 HydrophobicContact CG2-CB 3.48Å; I108-A113 VanDerWaalsContact CG2-CB 3.48Å; I108-A113 WeakPolarHBondContact O-CB 3.05Å; I108-A113 PolarHBondContact O-N 3.3Å; I108-A113 VanDerWaalsContact O-N 3.11Å; M111-A113 VanDerWaalsContact C-N 3.34Å; M111-A113 PolarHBondContact O-N 2.84Å; A113-T125 HydrophobicContact CB-CG2 3.77Å
114	N	93.6	Very high	95.3	Very high	53 Å²	53	45.6 Å²	45.6	28%	0.283	21%	0.212	S	C	.	.			trans	-63.6	135.7	175.5	-174	-43.8	0	0	0	110.6	R109 M111 W112 E116 F117	R109-N114 VanDerWaalsContact O-CA 3.29Å; R109-N114 WeakPolarHBondContact O-CA 3.47Å; R109-N114 WeakPolarHBondContact O-CB 3.39Å; R109-N114 PolarHBondContact O-N 3.45Å; M111-N114 WeakPolarHBondContact O-CB 3.24Å; M111-N114 PolarHBondContact O-N 2.91Å; W112-N114 VanDerWaalsContact C-N 3.34Å; N114-E116 PolarHBondContact O-N 3.38Å; N114-E116 VanDerWaalsContact O-N 3.07Å; N114-E116 WeakPolarHBondContact OD1-CB 3.37Å; N114-E116 WeakPolarHBondContact OD1-CG 3.18Å; N114-E116 PolarHBondContact OD1-N 3.04Å; N114-F117 HydrophobicContact CB-CD2 3.99Å; N114-F117 HydrophobicContact CB-CE2 3.97Å; N114-F117 WeakPolarHBondContact O-CB 3.44Å; N114-F117 WeakPolarHBondContact O-CD2 3.37Å; N114-F117 PolarHBondContact O-N 3.42Å
115	N	91.5	Very high	95.3	Very high	85 Å²	85	43.8 Å²	43.8	46%	0.455	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-20	179.9	-76.8	1.1	0	0	0	114.5	Y86 F117 Y118	Y86-N115 PolarHBondContact OH-ND2 3.19Å; Y86-N115 PolarHBondContact OH-OD1 3Å; N115-F117 PolarHBondContact O-N 3.13Å; N115-Y118 WeakPolarHBondContact O-CB 3.48Å; N115-Y118 PolarHBondContact O-N 3.25Å
116	E	92.6	Very high	95.4	Very high	134 Å²	134	43.8 Å²	43.8	63%	0.626	21%	0.207	S	C	*	.	H	α-helix	trans	-57.6	-30.5	171.1	-70.4	-179.2	169.9	0	0	112.3	N114 Y118 K119 K120	N114-E116 PolarHBondContact O-N 3.38Å; N114-E116 VanDerWaalsContact O-N 3.07Å; N114-E116 WeakPolarHBondContact OD1-CB 3.37Å; N114-E116 WeakPolarHBondContact OD1-CG 3.18Å; N114-E116 PolarHBondContact OD1-N 3.04Å; E116-Y118 VanDerWaalsContact C-N 3.28Å; E116-Y118 PolarHBondContact O-N 3.23Å; E116-K119 PolarHBondContact O-N 3.16Å; E116-K120 PolarHBondContact O-N 3.28Å
117	F	93.6	Very high	95.5	Very high	17 Å²	17	42 Å²	42	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-74.2	-17	176.6	-61.5	-57.2	0	0	0	113.7	W112 N114 N115 F121 K122 L123 I196 F197 W332 L336	W112-F117 WeakPolarHBondContact O-CD2 3.27Å; N114-F117 HydrophobicContact CB-CD2 3.99Å; N114-F117 HydrophobicContact CB-CE2 3.97Å; N114-F117 WeakPolarHBondContact O-CB 3.44Å; N114-F117 WeakPolarHBondContact O-CD2 3.37Å; N114-F117 PolarHBondContact O-N 3.42Å; N115-F117 PolarHBondContact O-N 3.13Å; F117-F121 HydrophobicContact CB-CD2 4.3Å; F117-F121 AromaticContact CD1-CD2 3.85Å; F117-F121 HydrophobicContact CD1-CD2 3.85Å; F117-F121 AromaticContact CD1-CE2 3.91Å; F117-F121 HydrophobicContact CD1-CE2 3.91Å; F117-F121 HydrophobicContact CE1-CE2 4.43Å; F117-F121 HydrophobicContact CG-CD2 4.47Å; F117-F121 WeakPolarHBondContact O-CA 3.37Å; F117-F121 WeakPolarHBondContact O-CB 3.45Å; F117-F121 PolarHBondContact O-N 3.11Å; F117-K122 PolarHBondContact O-N 2.96Å; F117-L123 HydrophobicContact CB-CB 4.43Å; F117-L123 HydrophobicContact CB-CD2 4.25Å; F117-L123 PolarHBondContact O-N 3.2Å; F117-I196 HydrophobicContact CD1-CD1 3.47Å; F117-I196 VanDerWaalsContact CD1-CD1 3.47Å; F117-I196 HydrophobicContact CD1-CG1 4.32Å; F117-I196 HydrophobicContact CD2-CD1 4.37Å; F117-I196 HydrophobicContact CD2-CG1 4.39Å; F117-I196 HydrophobicContact CE1-CD1 3.41Å; F117-I196 VanDerWaalsContact CE1-CD1 3.41Å; F117-I196 HydrophobicContact CE1-CG1 4.28Å; F117-I196 HydrophobicContact CE2-CD1 4.32Å; F117-I196 HydrophobicContact CE2-CG1 4.34Å; F117-I196 HydrophobicContact CG-CD1 3.98Å; F117-I196 HydrophobicContact CG-CG1 4.39Å; F117-I196 HydrophobicContact CZ-CD1 3.88Å; F117-I196 HydrophobicContact CZ-CG1 4.3Å; F117-F197 HydrophobicContact CE1-CE1 4.13Å; F117-F197 AromaticContact CE1-CZ 3.81Å; F117-F197 HydrophobicContact CE1-CZ 3.81Å; F117-F197 HydrophobicContact CZ-CZ 4.24Å; F117-W332 HydrophobicContact CE1-CH2 4.44Å; F117-W332 AromaticContact CE2-CH2 3.5Å; F117-W332 HydrophobicContact CE2-CH2 3.5Å; F117-W332 AromaticContact CE2-CZ2 3.47Å; F117-W332 HydrophobicContact CE2-CZ2 3.47Å; F117-W332 VanDerWaalsContact CE2-CZ2 3.47Å; F117-W332 AromaticContact CZ-CH2 3.41Å; F117-W332 HydrophobicContact CZ-CH2 3.41Å; F117-W332 VanDerWaalsContact CZ-CH2 3.41Å; F117-W332 AromaticContact CZ-CZ2 3.46Å; F117-W332 HydrophobicContact CZ-CZ2 3.46Å; F117-W332 VanDerWaalsContact CZ-CZ2 3.46Å; F117-L336 HydrophobicContact CZ-CD2 4.5Å
118	Y	94.9	Very high	95.6	Very high	27 Å²	27	40.9 Å²	40.9	11%	0.106	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-46.2	166.7	179.4	-105.8	0	0	0	110.5	Y86 P87 E88 N115 E116 K120 K122 L123 A124	Y86-Y118 VanDerWaalsContact C-OH 3.22Å; Y86-Y118 WeakPolarHBondContact CA-OH 3.26Å; Y86-Y118 AromaticContact CD1-CD1 3.63Å; Y86-Y118 HydrophobicContact CD1-CD1 3.63Å; Y86-Y118 AromaticContact CD1-CD2 3.37Å; Y86-Y118 HydrophobicContact CD1-CD2 3.37Å; Y86-Y118 AromaticContact CD1-CE1 3.82Å; Y86-Y118 HydrophobicContact CD1-CE1 3.82Å; Y86-Y118 AromaticContact CD1-CE2 3.59Å; Y86-Y118 HydrophobicContact CD1-CE2 3.59Å; Y86-Y118 AromaticContact CD1-CG 3.39Å; Y86-Y118 HydrophobicContact CD1-CG 3.39Å; Y86-Y118 AromaticContact CD1-CZ 3.8Å; Y86-Y118 HydrophobicContact CE1-CD1 4.04Å; Y86-Y118 HydrophobicContact CE1-CD2 4.12Å; Y86-Y118 AromaticContact CE1-CG 3.76Å; Y86-Y118 HydrophobicContact CE1-CG 3.76Å; Y86-Y118 HydrophobicContact CG-CD2 4.09Å; Y86-Y118 HydrophobicContact CG-CE2 4.03Å; Y86-Y118 HydrophobicContact CG-CG 4.5Å; P87-Y118 WeakPolarHBondContact CD-OH 3.36Å; E88-Y118 PolarHBondContact N-OH 2.89Å; N115-Y118 WeakPolarHBondContact O-CB 3.48Å; N115-Y118 PolarHBondContact O-N 3.25Å; E116-Y118 VanDerWaalsContact C-N 3.28Å; E116-Y118 PolarHBondContact O-N 3.23Å; Y118-K120 VanDerWaalsContact C-N 3.3Å; Y118-K120 PolarHBondContact O-N 2.88Å; Y118-K122 HydrophobicContact CE2-CB 4.46Å; Y118-K122 HydrophobicContact CE2-CD 4.44Å; Y118-K122 WeakPolarHBondContact O-CA 3.37Å; Y118-K122 PolarHBondContact O-N 3.47Å; Y118-L123 VanDerWaalsContact CA-O 3.27Å; Y118-L123 WeakPolarHBondContact CA-O 3.35Å; Y118-L123 WeakPolarHBondContact CB-O 3.38Å; Y118-L123 PolarHBondContact N-O 2.77Å; Y118-A124 HydrophobicContact CD2-CB 4.39Å
119	K	91.9	Very high	95.6	Very high	177 Å²	177	40.9 Å²	40.9	77%	0.77	19%	0.188	S	C	*	.	H	α-helix	trans	-61	-41.4	177.9	-65.9	-179.2	179.8	176.9	0	111.6	E116	E116-K119 PolarHBondContact O-N 3.16Å
120	K	91.2	Very high	95.6	Very high	90 Å²	90	39.7 Å²	39.7	39%	0.391	18%	0.184	S	C	.	.	H	α-helix	trans	-79	-42.8	-175.6	-170.9	169.7	-179.9	175.9	0	114	E116 Y118 C344	E116-K120 PolarHBondContact O-N 3.28Å; Y118-K120 VanDerWaalsContact C-N 3.3Å; Y118-K120 PolarHBondContact O-N 2.88Å; K120-C344 WeakPolarHBondContact CE-O 3.39Å; K120-C344 PolarHBondContact NZ-O 3.26Å
121	F	94.4	Very high	95.6	Very high	21 Å²	21	35 Å²	35	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-124.2	-2.2	-167.2	-66.9	-53.7	0	0	0	113.8	F117 L123 I196 F197 M200	F117-F121 HydrophobicContact CB-CD2 4.3Å; F117-F121 AromaticContact CD1-CD2 3.85Å; F117-F121 HydrophobicContact CD1-CD2 3.85Å; F117-F121 AromaticContact CD1-CE2 3.91Å; F117-F121 HydrophobicContact CD1-CE2 3.91Å; F117-F121 HydrophobicContact CE1-CE2 4.43Å; F117-F121 HydrophobicContact CG-CD2 4.47Å; F117-F121 WeakPolarHBondContact O-CA 3.37Å; F117-F121 WeakPolarHBondContact O-CB 3.45Å; F117-F121 PolarHBondContact O-N 3.11Å; F121-L123 HydrophobicContact CB-CB 4.2Å; F121-L123 PolarHBondContact O-N 2.92Å; F121-I196 HydrophobicContact CD2-CD1 3.96Å; F121-I196 HydrophobicContact CE2-CD1 3.56Å; F121-F197 AromaticContact CE2-CD1 3.71Å; F121-F197 HydrophobicContact CE2-CD1 3.71Å; F121-F197 AromaticContact CE2-CE1 3.83Å; F121-F197 HydrophobicContact CE2-CE1 3.83Å; F121-F197 AromaticContact CZ-CD1 3.59Å; F121-F197 HydrophobicContact CZ-CD1 3.59Å; F121-F197 HydrophobicContact CZ-CE1 4.01Å; F121-M200 HydrophobicContact CB-CE 3.77Å; F121-M200 HydrophobicContact CB-CG 3.87Å; F121-M200 HydrophobicContact CB-SD 4.2Å; F121-M200 HydrophobicContact CD1-CB 3.97Å; F121-M200 HydrophobicContact CD1-CG 4.13Å; F121-M200 HydrophobicContact CD2-CG 4.14Å; F121-M200 HydrophobicContact CE1-CB 4.37Å; F121-M200 HydrophobicContact CG-CB 4.16Å; F121-M200 HydrophobicContact CG-CG 3.79Å; F121-M200 VanDerWaalsContact O-CE 3.26Å; F121-M200 WeakPolarHBondContact O-CE 3Å
122	K	97.3	Very high	95.5	Very high	64 Å²	64	35.9 Å²	35.9	28%	0.278	17%	0.169	S	C	.	.			trans	52.6	36	-167.7	-48.9	-62.2	-175	175.1	0	111.6	E88 T89 F90 V91 F117 Y118	E88-K122 HydrophobicContact CB-CD 3.96Å; E88-K122 VanDerWaalsContact O-CB 3.22Å; E88-K122 WeakPolarHBondContact O-CB 3.1Å; E88-K122 WeakPolarHBondContact O-CG 3.37Å; E88-K122 IonicContact OE1-NZ 3.85Å; E88-K122 IonicContact OE2-NZ 2.73Å; E88-K122 PolarHBondContact OE2-NZ 3.14Å; T89-K122 CarbonylContact C-O 3.57Å; T89-K122 WeakPolarHBondContact CA-O 3.45Å; F90-K122 HydrophobicContact CB-CB 3.87Å; F90-K122 PolarHBondContact N-O 2.84Å; V91-K122 PolarHBondContact N-O 3.21Å; F117-K122 PolarHBondContact O-N 2.96Å; Y118-K122 HydrophobicContact CE2-CB 4.46Å; Y118-K122 HydrophobicContact CE2-CD 4.44Å; Y118-K122 WeakPolarHBondContact O-CA 3.37Å; Y118-K122 PolarHBondContact O-N 3.47Å
123	L	97.8	Very high	95.1	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.5	173.5	175.6	64.4	0	0	0	108.8	V91 A93 F117 Y118 F121 I196 M200	V91-L123 HydrophobicContact CB-CD1 3.92Å; V91-L123 HydrophobicContact CG1-CD1 3.89Å; V91-L123 WeakPolarHBondContact O-CA 3.3Å; A93-L123 HydrophobicContact CB-CD1 3.98Å; F117-L123 HydrophobicContact CB-CB 4.43Å; F117-L123 HydrophobicContact CB-CD2 4.25Å; F117-L123 PolarHBondContact O-N 3.2Å; Y118-L123 VanDerWaalsContact CA-O 3.27Å; Y118-L123 WeakPolarHBondContact CA-O 3.35Å; Y118-L123 WeakPolarHBondContact CB-O 3.38Å; Y118-L123 PolarHBondContact N-O 2.77Å; F121-L123 HydrophobicContact CB-CB 4.2Å; F121-L123 PolarHBondContact O-N 2.92Å; L123-I196 HydrophobicContact CD2-CB 4.25Å; L123-I196 HydrophobicContact CD2-CG2 3.7Å; L123-M200 HydrophobicContact CB-SD 4.29Å; L123-M200 HydrophobicContact CD1-SD 4.34Å
124	A	98.1	Very high	94.6	Very high	2 Å²	2	47 Å²	47	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150	169.2	0	0	0	0	0	109.1	F81 Y86 T89 V91 I92 A93 Y118	F81-A124 HydrophobicContact CE1-CB 3.86Å; F81-A124 HydrophobicContact CZ-CB 4.32Å; Y86-A124 HydrophobicContact CD1-CB 4.21Å; Y86-A124 HydrophobicContact CD2-CB 3.82Å; Y86-A124 HydrophobicContact CE2-CB 4.36Å; Y86-A124 HydrophobicContact CG-CB 3.71Å; T89-A124 HydrophobicContact CG2-CB 4.1Å; V91-A124 PolarHBondContact O-N 2.9Å; V91-A124 VanDerWaalsContact O-N 3.07Å; I92-A124 HydrophobicContact CD1-CB 4Å; A93-A124 PolarHBondContact N-O 3.07Å; Y118-A124 HydrophobicContact CD2-CB 4.39Å
125	T	98.4	Very high	94.3	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.08	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.3	-176.3	-54.9	0	0	0	0	110.9	F81 A93 V95 W112 A113	F81-T125 VanDerWaalsContact CZ-O 3.26Å; F81-T125 WeakPolarHBondContact CZ-O 3.26Å; A93-T125 HydrophobicContact CB-CG2 4.03Å; A93-T125 CarbonylContact O-C 3.53Å; A93-T125 WeakPolarHBondContact O-CA 3.32Å; V95-T125 HydrophobicContact CG2-CG2 3.66Å; W112-T125 HydrophobicContact CZ3-CG2 4.29Å; A113-T125 HydrophobicContact CB-CG2 3.77Å
126	V	98.6	Very high	94.2	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151	168.9	-65.6	0	0	0	0	111.2	F81 I92 A93 I94 V95 D151 I153 W174	F81-V126 HydrophobicContact CD1-CG1 3.86Å; F81-V126 HydrophobicContact CD2-CG1 4.04Å; F81-V126 HydrophobicContact CE1-CG1 3.45Å; F81-V126 VanDerWaalsContact CE1-CG1 3.45Å; F81-V126 HydrophobicContact CE2-CG1 3.62Å; F81-V126 HydrophobicContact CG-CG1 4.14Å; F81-V126 HydrophobicContact CZ-CG1 3.32Å; I92-V126 HydrophobicContact CD1-CG2 4.39Å; A93-V126 PolarHBondContact O-N 2.74Å; I94-V126 HydrophobicContact CD1-CG2 3.32Å; V95-V126 PolarHBondContact N-O 3.09Å; V126-D151 CarbonylContact C-O 3.49Å; V126-D151 VanDerWaalsContact CA-O 3.25Å; V126-D151 WeakPolarHBondContact CA-O 3.26Å; V126-I153 HydrophobicContact CG2-CD1 4.06Å; V126-W174 HydrophobicContact CB-CH2 4.42Å; V126-W174 HydrophobicContact CG1-CH2 3.77Å; V126-W174 HydrophobicContact CG1-CZ2 4.17Å; V126-W174 HydrophobicContact CG2-CH2 3.83Å; V126-W174 HydrophobicContact CG2-CZ3 3.79Å
127	F	98.8	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.1	173.9	-61.3	-83.9	0	0	0	109.8	V95 R105 I108 R109 M129 D151 I153	V95-F127 HydrophobicContact CB-CD1 3.55Å; V95-F127 HydrophobicContact CB-CE1 3.88Å; V95-F127 HydrophobicContact CB-CG 4.41Å; V95-F127 HydrophobicContact CG1-CD1 3.75Å; V95-F127 HydrophobicContact CG1-CE1 3.87Å; V95-F127 HydrophobicContact CG2-CD1 4.14Å; V95-F127 HydrophobicContact CG2-CE1 4.04Å; V95-F127 CarbonylContact O-C 3.5Å; V95-F127 WeakPolarHBondContact O-CA 3.3Å; R105-F127 HydrophobicContact CB-CD1 4.08Å; R105-F127 HydrophobicContact CB-CD2 4.47Å; R105-F127 HydrophobicContact CB-CE1 3.84Å; R105-F127 HydrophobicContact CB-CE2 4.25Å; R105-F127 HydrophobicContact CB-CG 4.39Å; R105-F127 HydrophobicContact CB-CZ 3.92Å; R105-F127 VanDerWaalsContact CD-CG 3.5Å; R105-F127 HydrophobicContact CG-CB 4.46Å; R105-F127 HydrophobicContact CG-CD1 3.48Å; R105-F127 VanDerWaalsContact CG-CD1 3.48Å; R105-F127 HydrophobicContact CG-CD2 4.39Å; R105-F127 HydrophobicContact CG-CE1 3.7Å; R105-F127 HydrophobicContact CG-CG 3.86Å; R105-F127 HydrophobicContact CG-CZ 4.25Å; I108-F127 HydrophobicContact CB-CE1 4.1Å; I108-F127 HydrophobicContact CB-CZ 4.07Å; I108-F127 HydrophobicContact CD1-CE1 4.12Å; I108-F127 HydrophobicContact CG2-CE1 3.91Å; I108-F127 HydrophobicContact CG2-CZ 3.8Å; R109-F127 HydrophobicContact CG-CE2 3.95Å; R109-F127 HydrophobicContact CG-CZ 4.09Å; F127-M129 HydrophobicContact CB-CE 3.85Å; F127-D151 WeakPolarHBondContact CE2-OD2 3.42Å; F127-D151 PolarHBondContact N-O 3.32Å; F127-I153 PolarHBondContact O-N 3.38Å
128	A	98.8	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.7	-178.1	0	0	0	0	0	111.5	I94 V95 S97 I153 F155 W171	I94-A128 HydrophobicContact CG2-CB 3.72Å; V95-A128 PolarHBondContact O-N 2.86Å; S97-A128 PolarHBondContact N-O 3.36Å; S97-A128 VanDerWaalsContact N-O 3.1Å; A128-I153 WeakPolarHBondContact CA-O 3.48Å; A128-I153 HydrophobicContact CB-CD1 3.84Å; A128-I153 HydrophobicContact CB-CG1 3.67Å; A128-F155 HydrophobicContact CB-CE2 4.19Å; A128-F155 HydrophobicContact CB-CZ 4.48Å; A128-W171 HydrophobicContact CB-CB 4.35Å
129	M	98.3	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	162.9	-178.9	63.6	-160.6	82.3	0	0	112.9	S97 P99 F127 L142 I152 I153 Q154 F155 D159	S97-M129 WeakPolarHBondContact O-CB 3.24Å; P99-M129 HydrophobicContact CG-CB 4.44Å; P99-M129 HydrophobicContact CG-CG 4.4Å; P99-M129 HydrophobicContact CG-SD 4.31Å; F127-M129 HydrophobicContact CB-CE 3.85Å; M129-L142 HydrophobicContact CE-CD2 4.43Å; M129-L142 HydrophobicContact SD-CD1 4.06Å; M129-L142 HydrophobicContact SD-CD2 3.71Å; M129-I152 HydrophobicContact CE-CG1 4.3Å; M129-I152 HydrophobicContact CE-CG2 4.09Å; M129-I153 PolarHBondContact N-O 2.95Å; M129-Q154 HydrophobicContact CG-CB 4.33Å; M129-Q154 HydrophobicContact CG-CG 4.08Å; M129-Q154 VanDerWaalsContact O-CA 3.29Å; M129-Q154 WeakPolarHBondContact O-CA 3.37Å; M129-F155 WeakPolarHBondContact O-CD2 3.38Å; M129-F155 PolarHBondContact O-N 2.87Å; M129-D159 WeakPolarHBondContact CA-OD2 3.38Å; M129-D159 WeakPolarHBondContact CB-OD2 3.43Å
130	G	97.2	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-162.4	164.2	0	0	0	0	0	111.2	P99 Q154 F157 D159	P99-G130 WeakPolarHBondContact CG-O 3.4Å; G130-Q154 WeakPolarHBondContact O-CG 3.29Å; G130-Q154 PolarHBondContact O-NE2 2.78Å; G130-F157 CarbonylContact C-O 3.59Å; G130-F157 VanDerWaalsContact CA-O 3.28Å; G130-F157 WeakPolarHBondContact CA-O 3.46Å; G130-D159 PolarHBondContact N-OD2 2.95Å
131	E	95.9	Very high	94.9	Very high	37 Å²	37	39.5 Å²	39.5	17%	0.173	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	153.4	176.5	-69.6	175.7	177.7	0	0	112.3	T75 Q154 F157 L158 D159	T75-E131 WeakPolarHBondContact CG2-OE1 3.04Å; E131-Q154 HydrophobicContact CG-CG 4.35Å; E131-F157 PolarHBondContact N-O 2.91Å; E131-L158 WeakPolarHBondContact O-CA 3.03Å; E131-D159 PolarHBondContact O-N 2.81Å
132	D	93.3	Very high	95	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.107	22%	0.217	C	C	.	.			trans	-111.1	97.5	168.7	-173	-28.3	0	0	0	108.6	H98 P99 K100 Q134	H98-D132 IonicContact CE1-OD2 3.65Å; P99-D132 HydrophobicContact CB-CB 3.82Å; P99-D132 HydrophobicContact CG-CB 3.99Å; K100-D132 WeakPolarHBondContact CD-OD2 3.36Å; K100-D132 WeakPolarHBondContact CE-OD2 3.45Å; K100-D132 WeakPolarHBondContact CG-OD2 3.47Å; K100-D132 IonicContact NZ-OD1 3.5Å; K100-D132 PolarHBondContact NZ-OD1 3.19Å; K100-D132 IonicContact NZ-OD2 2.68Å; K100-D132 PolarHBondContact NZ-OD2 3.19Å; D132-Q134 PolarHBondContact O-N 3.29Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.48Å; D132-Q134 PolarHBondContact OD1-N 3.42Å; D132-Q134 VanDerWaalsContact OD1-N 3.09Å
133	S	86.1	Confident	95	Very high	77 Å²	77	39.1 Å²	39.1	54%	0.538	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.1	-177.4	61.8	0	0	0	0	113.9	L158	S133-L158 VanDerWaalsContact CB-CD2 3.44Å; S133-L158 VanDerWaalsContact OG-CD2 3.23Å; S133-L158 WeakPolarHBondContact OG-CD2 3.07Å
134	Q	84.9	Confident	95	Very high	164 Å²	164	45.9 Å²	45.9	77%	0.766	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-18.9	-176.3	-64	-171.6	-13.7	0	0	112.4	D132	D132-Q134 PolarHBondContact O-N 3.29Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.48Å; D132-Q134 PolarHBondContact OD1-N 3.42Å; D132-Q134 VanDerWaalsContact OD1-N 3.09Å
135	N	86.5	Confident	95	Very high	57 Å²	57	46.5 Å²	46.5	31%	0.305	25%	0.249	S	C	.	.			trans	-139.5	89.6	-173.7	-165.1	-19.7	0	0	0	112.6	S137 V138	N135-S137 PolarHBondContact O-N 3.02Å; N135-S137 VanDerWaalsContact O-N 3.1Å; N135-S137 WeakPolarHBondContact OD1-CB 3.29Å; N135-S137 PolarHBondContact OD1-N 3.3Å; N135-S137 VanDerWaalsContact OD1-N 3.15Å; N135-S137 PolarHBondContact OD1-OG 2.89Å; N135-V138 HydrophobicContact CB-CB 4.36Å; N135-V138 HydrophobicContact CB-CG2 3.73Å; N135-V138 VanDerWaalsContact O-CB 3.28Å; N135-V138 WeakPolarHBondContact O-CB 3.4Å; N135-V138 PolarHBondContact O-N 2.79Å
136	P	90	Very high	95	Very high	101 Å²	101	46.8 Å²	46.8	66%	0.656	25%	0.25	S	C	*	.	H	α-helix	trans	-55.4	-28.9	176.5	-26.8	35.3	0	0	0	114.2	V138 Q139 V140	P136-V138 VanDerWaalsContact C-N 3.25Å; P136-V138 PolarHBondContact O-N 2.84Å; P136-Q139 WeakPolarHBondContact O-CB 3.41Å; P136-Q139 PolarHBondContact O-N 2.92Å; P136-Q139 VanDerWaalsContact O-N 3.13Å; P136-V140 PolarHBondContact O-N 3.4Å
137	S	94.4	Very high	95	Very high	70 Å²	70	52.7 Å²	52.7	49%	0.49	28%	0.277	S	S	.	.	H	α-helix	trans	-67.3	-26.2	177.5	77	0	0	0	0	113.1	N135 Q139 V140 T141	N135-S137 PolarHBondContact O-N 3.02Å; N135-S137 VanDerWaalsContact O-N 3.1Å; N135-S137 WeakPolarHBondContact OD1-CB 3.29Å; N135-S137 PolarHBondContact OD1-N 3.3Å; N135-S137 VanDerWaalsContact OD1-N 3.15Å; N135-S137 PolarHBondContact OD1-OG 2.89Å; S137-Q139 VanDerWaalsContact C-N 3.32Å; S137-V140 PolarHBondContact O-N 3.41Å; S137-T141 PolarHBondContact O-N 3.31Å; S137-T141 VanDerWaalsContact O-N 3.07Å; S137-T141 PolarHBondContact O-OG1 3.28Å
138	V	95.6	Very high	94.9	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.055	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-41.2	172.5	173.1	0	0	0	0	109.8	P99 K100 F102 N135 P136 T141 L142	P99-V138 HydrophobicContact CB-CG1 3.54Å; K100-V138 HydrophobicContact CG-CG2 4.06Å; F102-V138 HydrophobicContact CE2-CG1 4.18Å; F102-V138 HydrophobicContact CZ-CG1 3.97Å; N135-V138 HydrophobicContact CB-CB 4.36Å; N135-V138 HydrophobicContact CB-CG2 3.73Å; N135-V138 VanDerWaalsContact O-CB 3.28Å; N135-V138 WeakPolarHBondContact O-CB 3.4Å; N135-V138 PolarHBondContact O-N 2.79Å; P136-V138 VanDerWaalsContact C-N 3.25Å; P136-V138 PolarHBondContact O-N 2.84Å; V138-T141 PolarHBondContact O-N 3.25Å; V138-L142 HydrophobicContact CG1-CD1 4.13Å; V138-L142 HydrophobicContact CG1-CG 4.36Å; V138-L142 WeakPolarHBondContact O-CG 3.46Å; V138-L142 PolarHBondContact O-N 3.48Å
139	Q	95.5	Very high	94.8	Very high	57 Å²	57	61.7 Å²	61.7	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-43.2	178.9	-168.8	60.8	26.1	0	0	112.1	P136 S137 T141 L142 Q143 Q154	P136-Q139 WeakPolarHBondContact O-CB 3.41Å; P136-Q139 PolarHBondContact O-N 2.92Å; P136-Q139 VanDerWaalsContact O-N 3.13Å; S137-Q139 VanDerWaalsContact C-N 3.32Å; Q139-T141 VanDerWaalsContact C-N 3.27Å; Q139-T141 PolarHBondContact O-N 3.26Å; Q139-L142 PolarHBondContact O-N 3.16Å; Q139-Q143 PolarHBondContact O-N 2.79Å; Q139-Q154 VanDerWaalsContact OE1-OE1 3.09Å
140	V	95.9	Very high	94.7	Very high	75 Å²	75	65 Å²	65	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-39	174.8	177.6	0	0	0	0	111.2	P136 S137 Q143 R144	P136-V140 PolarHBondContact O-N 3.4Å; S137-V140 PolarHBondContact O-N 3.41Å; V140-Q143 PolarHBondContact O-N 3.34Å; V140-R144 PolarHBondContact O-N 3.32Å
141	T	96.9	Very high	94.8	Very high	55 Å²	55	65.7 Å²	65.7	34%	0.337	34%	0.341	S	S	.	.	H	α-helix	trans	-70.8	-38.9	178.5	-53.5	0	0	0	0	111.7	F102 S137 V138 Q139 Q143 R144 E145	F102-T141 HydrophobicContact CD1-CG2 4.09Å; F102-T141 HydrophobicContact CE1-CG2 3.5Å; F102-T141 VanDerWaalsContact CE1-CG2 3.5Å; F102-T141 HydrophobicContact CE2-CG2 4.39Å; F102-T141 HydrophobicContact CZ-CG2 3.67Å; S137-T141 PolarHBondContact O-N 3.31Å; S137-T141 VanDerWaalsContact O-N 3.07Å; S137-T141 PolarHBondContact O-OG1 3.28Å; V138-T141 PolarHBondContact O-N 3.25Å; Q139-T141 VanDerWaalsContact C-N 3.27Å; Q139-T141 PolarHBondContact O-N 3.26Å; T141-Q143 VanDerWaalsContact C-N 3.34Å; T141-R144 PolarHBondContact O-N 3.23Å; T141-E145 PolarHBondContact O-N 3.39Å
142	L	97.6	Very high	94.9	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-37.7	174.2	-77.3	173.7	0	0	0	112.4	L76 P99 F102 R105 M129 V138 Q139 E145 L146 I152	L76-L142 HydrophobicContact CD1-CB 3.7Å; L76-L142 HydrophobicContact CD1-CD1 4.48Å; P99-L142 HydrophobicContact CB-CD1 3.86Å; P99-L142 HydrophobicContact CG-CD1 4.44Å; F102-L142 HydrophobicContact CE1-CD2 3.86Å; F102-L142 HydrophobicContact CE1-CG 4.1Å; F102-L142 HydrophobicContact CZ-CD2 4.26Å; F102-L142 HydrophobicContact CZ-CG 4.13Å; R105-L142 VanDerWaalsContact NH2-CD2 3.29Å; M129-L142 HydrophobicContact CE-CD2 4.43Å; M129-L142 HydrophobicContact SD-CD1 4.06Å; M129-L142 HydrophobicContact SD-CD2 3.71Å; V138-L142 HydrophobicContact CG1-CD1 4.13Å; V138-L142 HydrophobicContact CG1-CG 4.36Å; V138-L142 WeakPolarHBondContact O-CG 3.46Å; V138-L142 PolarHBondContact O-N 3.48Å; Q139-L142 PolarHBondContact O-N 3.16Å; L142-E145 PolarHBondContact O-N 3.17Å; L142-L146 PolarHBondContact O-N 3.35Å; L142-I152 HydrophobicContact CD2-CD1 4.03Å
143	Q	97.2	Very high	95.2	Very high	77 Å²	77	63.1 Å²	63.1	36%	0.36	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-47	174.8	-177.9	62.7	38.9	0	0	111.1	Q139 V140 T141 E145 L146 E147	Q139-Q143 PolarHBondContact O-N 2.79Å; V140-Q143 PolarHBondContact O-N 3.34Å; T141-Q143 VanDerWaalsContact C-N 3.34Å; Q143-E145 VanDerWaalsContact C-N 3.34Å; Q143-E145 PolarHBondContact O-N 2.85Å; Q143-L146 WeakPolarHBondContact O-CB 3.37Å; Q143-L146 PolarHBondContact O-N 3.47Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.43Å; Q143-E147 PolarHBondContact NE2-OE1 2.89Å; Q143-E147 WeakPolarHBondContact O-CG 3.39Å; Q143-E147 PolarHBondContact O-N 3.14Å
144	R	97.8	Very high	95.7	Very high	148 Å²	148	59.4 Å²	59.4	56%	0.558	30%	0.303	S	S	*	.	H	α-helix	trans	-65	-36.9	175.1	-63.7	179	-168	136.3	-0.3	112.7	V140 T141 L146 E147 T148	V140-R144 PolarHBondContact O-N 3.32Å; T141-R144 PolarHBondContact O-N 3.23Å; R144-L146 VanDerWaalsContact C-N 3.35Å; R144-E147 PolarHBondContact O-N 3.04Å; R144-T148 WeakPolarHBondContact O-CB 3.15Å; R144-T148 PolarHBondContact O-N 3.15Å; R144-T148 PolarHBondContact O-OG1 2.91Å
145	E	98.1	Very high	96.3	Very high	16 Å²	16	51.6 Å²	51.6	8%	0.075	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-42.1	174.9	-168.8	-178.1	177.6	0	0	111	F102 R105 R109 T141 L142 Q143 T148 Y149 I152	F102-E145 WeakPolarHBondContact CD1-OE2 3.2Å; F102-E145 WeakPolarHBondContact CE1-OE2 3.21Å; R105-E145 IonicContact CZ-OE1 2.75Å; R105-E145 IonicContact CZ-OE2 2.78Å; R105-E145 IonicContact NE-OE1 3.33Å; R105-E145 PolarHBondContact NE-OE1 3.22Å; R105-E145 IonicContact NE-OE2 3.74Å; R105-E145 PolarHBondContact NE-OE2 3.01Å; R105-E145 VanDerWaalsContact NE-OE2 3.14Å; R105-E145 IonicContact NH2-OE1 3.14Å; R105-E145 IonicContact NH2-OE2 2.72Å; R105-E145 PolarHBondContact NH2-OE2 3.08Å; R109-E145 IonicContact CZ-OE1 3.8Å; R109-E145 IonicContact NH1-OE1 2.72Å; R109-E145 PolarHBondContact NH1-OE1 3.49Å; R109-E145 IonicContact NH2-OE1 2.64Å; R109-E145 PolarHBondContact NH2-OE1 3.46Å; T141-E145 PolarHBondContact O-N 3.39Å; L142-E145 PolarHBondContact O-N 3.17Å; Q143-E145 VanDerWaalsContact C-N 3.34Å; Q143-E145 PolarHBondContact O-N 2.85Å; E145-T148 PolarHBondContact O-N 2.99Å; E145-Y149 HydrophobicContact CG-CD2 3.74Å; E145-Y149 HydrophobicContact CG-CE2 4.16Å; E145-Y149 WeakPolarHBondContact O-CD2 3.43Å; E145-Y149 PolarHBondContact O-N 2.68Å; E145-I152 HydrophobicContact CB-CD1 3.77Å; E145-I152 HydrophobicContact CG-CD1 3.64Å
146	L	97.6	Very high	96.7	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-45.8	173.5	177.3	71.7	0	0	0	111	L76 L142 Q143 R144 T148 E150 I152	L76-L146 HydrophobicContact CB-CD2 4.06Å; L76-L146 HydrophobicContact CD2-CD2 3.95Å; L142-L146 PolarHBondContact O-N 3.35Å; Q143-L146 WeakPolarHBondContact O-CB 3.37Å; Q143-L146 PolarHBondContact O-N 3.47Å; R144-L146 VanDerWaalsContact C-N 3.35Å; L146-T148 PolarHBondContact O-N 3.09Å; L146-E150 WeakPolarHBondContact O-CA 3.24Å; L146-E150 PolarHBondContact O-N 3.04Å; L146-I152 HydrophobicContact CD1-CB 4.02Å
147	E	97.6	Very high	96.9	Very high	125 Å²	125	44.5 Å²	44.5	58%	0.584	22%	0.224	S	C	*	.	H	α-helix	trans	-61.1	-30.8	177.7	-72.6	162.4	-167.9	0	0	112.7	Q143 R144	Q143-E147 WeakPolarHBondContact CG-OE1 3.43Å; Q143-E147 PolarHBondContact NE2-OE1 2.89Å; Q143-E147 WeakPolarHBondContact O-CG 3.39Å; Q143-E147 PolarHBondContact O-N 3.14Å; R144-E147 PolarHBondContact O-N 3.04Å
148	T	97	Very high	97	Very high	94 Å²	94	43.2 Å²	43.2	58%	0.577	21%	0.211	S	C	*	.	H	α-helix	trans	-83.3	-45.8	-178.8	-55	0	0	0	0	112.7	R144 E145 L146	R144-T148 WeakPolarHBondContact O-CB 3.15Å; R144-T148 PolarHBondContact O-N 3.15Å; R144-T148 PolarHBondContact O-OG1 2.91Å; E145-T148 PolarHBondContact O-N 2.99Å; L146-T148 PolarHBondContact O-N 3.09Å
149	Y	97.2	Very high	97	Very high	94 Å²	94	43.6 Å²	43.6	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-109.7	-20.9	-169.1	-61.4	-73.9	0	0	0	113.9	E145 D151	E145-Y149 HydrophobicContact CG-CD2 3.74Å; E145-Y149 HydrophobicContact CG-CE2 4.16Å; E145-Y149 WeakPolarHBondContact O-CD2 3.43Å; E145-Y149 PolarHBondContact O-N 2.68Å; Y149-D151 VanDerWaalsContact CB-OD1 3.27Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.42Å; Y149-D151 PolarHBondContact O-N 3.08Å; Y149-D151 VanDerWaalsContact O-N 3.16Å
150	E	97.2	Very high	97	Very high	71 Å²	71	42.6 Å²	42.6	33%	0.332	21%	0.211	S	C	.	.			trans	57.5	20.3	-179.1	-62.3	173.5	-154.1	0	0	114.8	N78 F81 R85 L146	N78-E150 PolarHBondContact ND2-OE2 2.04Å; F81-E150 WeakPolarHBondContact CD2-O 3.42Å; F81-E150 WeakPolarHBondContact CE2-O 3.26Å; R85-E150 IonicContact CZ-OE2 2.74Å; R85-E150 IonicContact NE-OE2 2.72Å; R85-E150 IonicContact NH1-OE1 3.49Å; R85-E150 PolarHBondContact NH1-OE1 3.29Å; R85-E150 IonicContact NH1-OE2 3.47Å; R85-E150 PolarHBondContact NH1-OE2 2.01Å; L146-E150 WeakPolarHBondContact O-CA 3.24Å; L146-E150 PolarHBondContact O-N 3.04Å
151	D	98	Very high	96.8	Very high	13 Å²	13	44 Å²	44	7%	0.07	21%	0.209	C	C	.	.			trans	-117.6	25.3	-169.3	65.6	2	0	0	0	113.4	F81 R109 V126 F127 Y149	F81-D151 HydrophobicContact CE2-CB 4.08Å; R109-D151 IonicContact CZ-OD1 3.22Å; R109-D151 IonicContact CZ-OD2 3.44Å; R109-D151 IonicContact NE-OD1 2.74Å; R109-D151 PolarHBondContact NE-OD1 2.95Å; R109-D151 IonicContact NE-OD2 3Å; R109-D151 PolarHBondContact NE-OD2 3.04Å; R109-D151 IonicContact NH2-OD1 2.78Å; R109-D151 PolarHBondContact NH2-OD1 3.28Å; R109-D151 IonicContact NH2-OD2 3.9Å; R109-D151 PolarHBondContact NH2-OD2 3.27Å; V126-D151 CarbonylContact C-O 3.49Å; V126-D151 VanDerWaalsContact CA-O 3.25Å; V126-D151 WeakPolarHBondContact CA-O 3.26Å; F127-D151 WeakPolarHBondContact CE2-OD2 3.42Å; F127-D151 PolarHBondContact N-O 3.32Å; Y149-D151 VanDerWaalsContact CB-OD1 3.27Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.42Å; Y149-D151 PolarHBondContact O-N 3.08Å; Y149-D151 VanDerWaalsContact O-N 3.16Å
152	I	98.6	Very high	96.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.3	177	-70.5	167.9	0	0	0	110.2	L76 M129 L142 E145 L146	L76-I152 HydrophobicContact CB-CG2 4.02Å; L76-I152 HydrophobicContact CD1-CG2 3.92Å; M129-I152 HydrophobicContact CE-CG1 4.3Å; M129-I152 HydrophobicContact CE-CG2 4.09Å; L142-I152 HydrophobicContact CD2-CD1 4.03Å; E145-I152 HydrophobicContact CB-CD1 3.77Å; E145-I152 HydrophobicContact CG-CD1 3.64Å; L146-I152 HydrophobicContact CD1-CB 4.02Å
153	I	98.5	Very high	96.6	Very high	2 Å²	2	44 Å²	44	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.6	162.5	63	-177.3	0	0	0	109	L76 L77 V126 F127 A128 M129 F155 W171 W174	L76-I153 WeakPolarHBondContact O-CA 3.4Å; L77-I153 HydrophobicContact CD1-CG2 4.44Å; V126-I153 HydrophobicContact CG2-CD1 4.06Å; F127-I153 PolarHBondContact O-N 3.38Å; A128-I153 WeakPolarHBondContact CA-O 3.48Å; A128-I153 HydrophobicContact CB-CD1 3.84Å; A128-I153 HydrophobicContact CB-CG1 3.67Å; M129-I153 PolarHBondContact N-O 2.95Å; I153-F155 HydrophobicContact CB-CE1 4.49Å; I153-F155 HydrophobicContact CB-CZ 4.37Å; I153-F155 HydrophobicContact CD1-CE1 4.44Å; I153-F155 HydrophobicContact CD1-CZ 3.8Å; I153-F155 HydrophobicContact CG1-CE1 4.45Å; I153-F155 HydrophobicContact CG1-CZ 3.87Å; I153-W171 HydrophobicContact CD1-CB 4.1Å; I153-W174 HydrophobicContact CD1-CB 4.41Å; I153-W174 HydrophobicContact CD1-CD2 3.83Å; I153-W174 HydrophobicContact CD1-CE3 3.94Å; I153-W174 HydrophobicContact CD1-CG 4.01Å; I153-W174 HydrophobicContact CG2-CD2 4.13Å; I153-W174 HydrophobicContact CG2-CG 4.34Å; I153-W174 HydrophobicContact CG2-CZ2 4Å
154	Q	98.2	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.6	178	-165.9	-178	38.1	0	0	110.8	Y74 T75 L76 M129 G130 E131 Q139	Y74-Q154 CarbonylContact C-O 3.49Å; Y74-Q154 VanDerWaalsContact CA-O 3.28Å; Y74-Q154 WeakPolarHBondContact CA-O 3.49Å; T75-Q154 PolarHBondContact N-O 3.39Å; T75-Q154 WeakPolarHBondContact OG1-CB 3.4Å; T75-Q154 VanDerWaalsContact OG1-CG 3.31Å; T75-Q154 WeakPolarHBondContact OG1-CG 3.05Å; T75-Q154 PolarHBondContact OG1-O 3.12Å; T75-Q154 PolarHBondContact OG1-OE1 3.02Å; L76-Q154 HydrophobicContact CB-CB 3.65Å; L76-Q154 HydrophobicContact CD1-CB 4.04Å; L76-Q154 VanDerWaalsContact CD1-OE1 3.28Å; L76-Q154 HydrophobicContact CG-CB 3.92Å; L76-Q154 VanDerWaalsContact CG-OE1 3.31Å; L76-Q154 PolarHBondContact O-N 3.02Å; M129-Q154 HydrophobicContact CG-CB 4.33Å; M129-Q154 HydrophobicContact CG-CG 4.08Å; M129-Q154 VanDerWaalsContact O-CA 3.29Å; M129-Q154 WeakPolarHBondContact O-CA 3.37Å; G130-Q154 WeakPolarHBondContact O-CG 3.29Å; G130-Q154 PolarHBondContact O-NE2 2.78Å; E131-Q154 HydrophobicContact CG-CG 4.35Å; Q139-Q154 VanDerWaalsContact OE1-OE1 3.09Å
155	F	97.4	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.2	-177.6	-42.8	-68.5	0	0	0	111.8	F56 R73 Y74 A128 M129 I153 F157 K167 W171	F56-F155 HydrophobicContact CE1-CD1 4.36Å; F56-F155 HydrophobicContact CZ-CD1 4.16Å; R73-F155 CarbonylContact O-C 3.5Å; R73-F155 WeakPolarHBondContact O-CA 3.47Å; Y74-F155 AromaticContact CD1-CD1 3.62Å; Y74-F155 HydrophobicContact CD1-CD1 3.62Å; Y74-F155 AromaticContact CD1-CE1 3.59Å; Y74-F155 HydrophobicContact CD1-CE1 3.59Å; Y74-F155 AromaticContact CE1-CD1 3.85Å; Y74-F155 HydrophobicContact CE1-CD1 3.85Å; Y74-F155 AromaticContact CE1-CE1 3.56Å; Y74-F155 HydrophobicContact CE1-CE1 3.56Å; A128-F155 HydrophobicContact CB-CE2 4.19Å; A128-F155 HydrophobicContact CB-CZ 4.48Å; M129-F155 WeakPolarHBondContact O-CD2 3.38Å; M129-F155 PolarHBondContact O-N 2.87Å; I153-F155 HydrophobicContact CB-CE1 4.49Å; I153-F155 HydrophobicContact CB-CZ 4.37Å; I153-F155 HydrophobicContact CD1-CE1 4.44Å; I153-F155 HydrophobicContact CD1-CZ 3.8Å; I153-F155 HydrophobicContact CG1-CE1 4.45Å; I153-F155 HydrophobicContact CG1-CZ 3.87Å; F155-F157 HydrophobicContact CB-CD1 3.88Å; F155-F157 HydrophobicContact CB-CE1 3.23Å; F155-F157 HydrophobicContact CB-CE2 4.29Å; F155-F157 HydrophobicContact CB-CZ 3.46Å; F155-F157 VanDerWaalsContact CB-CZ 3.46Å; F155-F157 HydrophobicContact CD2-CE1 4.16Å; F155-F157 HydrophobicContact CD2-CE2 4.4Å; F155-F157 AromaticContact CD2-CZ 3.59Å; F155-F157 HydrophobicContact CD2-CZ 3.59Å; F155-F157 AromaticContact CG-CE1 3.93Å; F155-F157 HydrophobicContact CG-CE1 3.93Å; F155-F157 AromaticContact CG-CZ 3.83Å; F155-F157 HydrophobicContact CG-CZ 3.83Å; F155-F157 PolarHBondContact O-N 3.31Å; F155-K167 HydrophobicContact CD2-CG 4.49Å; F155-K167 HydrophobicContact CE2-CG 4.22Å; F155-W171 HydrophobicContact CZ-CB 4.11Å
156	S	94.5	Very high	96.5	Very high	8 Å²	8	33.8 Å²	33.8	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	50.6	-176.5	60.3	0	0	0	0	115.2	E48 F72 R73	E48-S156 PolarHBondContact OE2-OG 2.97Å; F72-S156 WeakPolarHBondContact CA-OG 2.98Å; R73-S156 PolarHBondContact N-OG 2.78Å; R73-S156 PolarHBondContact O-N 2.8Å
157	F	94.5	Very high	96.6	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.2	169.7	51.8	-102.5	0	0	0	110.7	F72 G130 E131 F155 D159 N163 L166 K167 S170	F72-F157 HydrophobicContact CD1-CB 4.49Å; F72-F157 AromaticContact CD1-CD1 3.63Å; F72-F157 HydrophobicContact CD1-CD1 3.63Å; F72-F157 HydrophobicContact CD1-CE1 4.42Å; F72-F157 HydrophobicContact CE1-CB 4.28Å; F72-F157 AromaticContact CE1-CD1 3.82Å; F72-F157 HydrophobicContact CE1-CD1 3.82Å; F72-F157 HydrophobicContact CE1-CG 4.47Å; F72-F157 HydrophobicContact CG-CD1 4.17Å; F72-F157 HydrophobicContact CZ-CD1 4.49Å; G130-F157 CarbonylContact C-O 3.59Å; G130-F157 VanDerWaalsContact CA-O 3.28Å; G130-F157 WeakPolarHBondContact CA-O 3.46Å; E131-F157 PolarHBondContact N-O 2.91Å; F155-F157 HydrophobicContact CB-CD1 3.88Å; F155-F157 HydrophobicContact CB-CE1 3.23Å; F155-F157 HydrophobicContact CB-CE2 4.29Å; F155-F157 HydrophobicContact CB-CZ 3.46Å; F155-F157 VanDerWaalsContact CB-CZ 3.46Å; F155-F157 HydrophobicContact CD2-CE1 4.16Å; F155-F157 HydrophobicContact CD2-CE2 4.4Å; F155-F157 AromaticContact CD2-CZ 3.59Å; F155-F157 HydrophobicContact CD2-CZ 3.59Å; F155-F157 AromaticContact CG-CE1 3.93Å; F155-F157 HydrophobicContact CG-CE1 3.93Å; F155-F157 AromaticContact CG-CZ 3.83Å; F155-F157 HydrophobicContact CG-CZ 3.83Å; F155-F157 PolarHBondContact O-N 3.31Å; F157-D159 PolarHBondContact O-N 2.96Å; F157-N163 HydrophobicContact CD2-CB 4.26Å; F157-L166 HydrophobicContact CD1-CB 4.38Å; F157-L166 HydrophobicContact CE1-CB 4.12Å; F157-L166 HydrophobicContact CE2-CB 4.31Å; F157-L166 HydrophobicContact CZ-CB 4.11Å; F157-K167 HydrophobicContact CE2-CB 4.15Å; F157-K167 HydrophobicContact CZ-CB 4.2Å; F157-S170 WeakPolarHBondContact CE1-OG 3.45Å
158	L	95.8	Very high	96.6	Very high	42 Å²	42	27.2 Å²	27.2	22%	0.22	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130.9	178.8	-61.1	179.2	0	0	0	111.8	E131 S133 T160 N163	E131-L158 WeakPolarHBondContact O-CA 3.03Å; S133-L158 VanDerWaalsContact CB-CD2 3.44Å; S133-L158 VanDerWaalsContact OG-CD2 3.23Å; S133-L158 WeakPolarHBondContact OG-CD2 3.07Å; L158-T160 HydrophobicContact CB-CG2 4.05Å; L158-T160 PolarHBondContact O-N 3.37Å; L158-N163 WeakPolarHBondContact O-CB 3.43Å; L158-N163 PolarHBondContact O-ND2 3.49Å
159	D	96.2	Very high	96.7	Very high	17 Å²	17	23 Å²	23	9%	0.091	11%	0.106	C	C	.	.			trans	-75.4	93.9	175	-156.9	-39.9	0	0	0	110.5	H98 P99 M129 G130 E131 F157 K167	H98-D159 IonicContact CD2-OD1 2.79Å; P99-D159 HydrophobicContact CG-CB 4.29Å; M129-D159 WeakPolarHBondContact CA-OD2 3.38Å; M129-D159 WeakPolarHBondContact CB-OD2 3.43Å; G130-D159 PolarHBondContact N-OD2 2.95Å; E131-D159 PolarHBondContact O-N 2.81Å; F157-D159 PolarHBondContact O-N 2.96Å; D159-K167 WeakPolarHBondContact OD1-CE 3.44Å; D159-K167 IonicContact OD1-NZ 3.23Å; D159-K167 PolarHBondContact OD1-NZ 3.16Å; D159-K167 VanDerWaalsContact OD2-CE 3.25Å; D159-K167 WeakPolarHBondContact OD2-CE 3.13Å; D159-K167 IonicContact OD2-NZ 3.91Å; D159-K167 PolarHBondContact OD2-NZ 2.93Å
160	T	94.7	Very high	96.7	Very high	37 Å²	37	18.5 Å²	18.5	23%	0.227	9%	0.089	C	C	.	.			trans	-134.1	159.3	-180	68.5	0	0	0	0	110.6	L158 K162 N163 L164	L158-T160 HydrophobicContact CB-CG2 4.05Å; L158-T160 PolarHBondContact O-N 3.37Å; T160-K162 PolarHBondContact O-N 3.34Å; T160-N163 CarbonylContact O-C 3.4Å; T160-N163 WeakPolarHBondContact O-CA 3.4Å; T160-N163 PolarHBondContact O-N 3.35Å; T160-N163 PolarHBondContact OG1-N 3.07Å; T160-N163 PolarHBondContact OG1-ND2 2.74Å; T160-L164 PolarHBondContact O-N 2.72Å
161	Y	91.9	Very high	96.8	Very high	105 Å²	105	15.1 Å²	15.1	41%	0.412	7%	0.073	S	C	.	.	G	3₁₀ helix	trans	-54.9	-39.7	173.2	-78.1	-84	0	0	0	112.3	N163 L164 W234 W276	Y161-N163 PolarHBondContact O-N 2.77Å; Y161-L164 HydrophobicContact CD1-CD1 3.94Å; Y161-L164 VanDerWaalsContact O-CG 3.32Å; Y161-L164 WeakPolarHBondContact O-CG 3.1Å; Y161-L164 PolarHBondContact O-N 3.44Å; Y161-W234 HydrophobicContact CD1-CH2 4.24Å; Y161-W276 WeakPolarHBondContact O-CZ3 3.35Å
162	K	94.1	Very high	96.8	Very high	48 Å²	48	14.6 Å²	14.6	21%	0.209	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-67.8	-17.6	177.3	-67.3	-64.8	-172.6	175.2	0	113.5	T160 Y235 W276	T160-K162 PolarHBondContact O-N 3.34Å; K162-Y235 PolarHBondContact NZ-O 3.46Å; K162-W276 HydrophobicContact CD-CD2 3.43Å; K162-W276 VanDerWaalsContact CD-CD2 3.43Å; K162-W276 HydrophobicContact CD-CE3 3.69Å; K162-W276 HydrophobicContact CD-CG 3.83Å; K162-W276 HydrophobicContact CD-CH2 4.12Å; K162-W276 HydrophobicContact CD-CZ2 3.94Å; K162-W276 HydrophobicContact CD-CZ3 4.02Å; K162-W276 WeakPolarHBondContact O-CB 3.13Å
163	N	95.8	Very high	96.8	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.027	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-103.6	8.5	177.7	-71.3	-17.4	0	0	0	113.5	F157 L158 T160 Y161 T165 L166 K167	F157-N163 HydrophobicContact CD2-CB 4.26Å; L158-N163 WeakPolarHBondContact O-CB 3.43Å; L158-N163 PolarHBondContact O-ND2 3.49Å; T160-N163 CarbonylContact O-C 3.4Å; T160-N163 WeakPolarHBondContact O-CA 3.4Å; T160-N163 PolarHBondContact O-N 3.35Å; T160-N163 PolarHBondContact OG1-N 3.07Å; T160-N163 PolarHBondContact OG1-ND2 2.74Å; Y161-N163 PolarHBondContact O-N 2.77Å; N163-T165 PolarHBondContact O-N 3.1Å; N163-L166 HydrophobicContact CB-CD1 4.34Å; N163-L166 WeakPolarHBondContact O-CB 3.48Å; N163-L166 PolarHBondContact O-N 3.44Å; N163-K167 PolarHBondContact O-N 3.08Å
164	L	97	Very high	96.8	Very high	24 Å²	24	16.5 Å²	16.5	13%	0.126	8%	0.08	C	C	.	.	H	α-helix	trans	-56.9	-37.2	177.1	-72.7	173.5	0	0	0	112.4	T160 Y161 L166 K167 A168 W234 D278	T160-L164 PolarHBondContact O-N 2.72Å; Y161-L164 HydrophobicContact CD1-CD1 3.94Å; Y161-L164 VanDerWaalsContact O-CG 3.32Å; Y161-L164 WeakPolarHBondContact O-CG 3.1Å; Y161-L164 PolarHBondContact O-N 3.44Å; L164-L166 VanDerWaalsContact C-N 3.35Å; L164-L166 PolarHBondContact O-N 3.22Å; L164-K167 WeakPolarHBondContact O-CB 3.42Å; L164-K167 PolarHBondContact O-N 2.93Å; L164-A168 WeakPolarHBondContact O-CB 3.41Å; L164-A168 PolarHBondContact O-N 2.84Å; L164-W234 HydrophobicContact CD1-CH2 4.38Å; L164-D278 HydrophobicContact CB-CB 3.83Å
165	T	97.8	Very high	96.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.9	-39	175.8	-65.8	0	0	0	0	112.1	N163 A168 I169 F274 L275 W276 D278 Y281	N163-T165 PolarHBondContact O-N 3.1Å; T165-A168 PolarHBondContact O-N 3.18Å; T165-A168 VanDerWaalsContact O-N 3.17Å; T165-I169 HydrophobicContact CG2-CD1 3.92Å; T165-I169 HydrophobicContact CG2-CG1 4.44Å; T165-I169 WeakPolarHBondContact O-CG1 3.43Å; T165-I169 PolarHBondContact O-N 2.89Å; T165-F274 HydrophobicContact CG2-CD2 4.17Å; T165-F274 HydrophobicContact CG2-CE2 3.55Å; T165-F274 HydrophobicContact CG2-CZ 4.29Å; T165-L275 PolarHBondContact OG1-O 3.33Å; T165-W276 WeakPolarHBondContact OG1-CA 3.32Å; T165-W276 PolarHBondContact OG1-O 2.87Å; T165-D278 WeakPolarHBondContact OG1-CA 3.34Å; T165-D278 PolarHBondContact OG1-N 2.93Å; T165-Y281 HydrophobicContact CG2-CD1 3.35Å; T165-Y281 HydrophobicContact CG2-CE1 3.81Å; T165-Y281 HydrophobicContact CG2-CG 3.99Å
166	L	97.6	Very high	96.9	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-65.4	-43.1	175	-59	-178.1	0	0	0	110.8	V41 L60 F72 F157 N163 L164 A168 I169 S170 F274	V41-L166 HydrophobicContact CG1-CD1 4.26Å; L60-L166 HydrophobicContact CD1-CD2 3.76Å; F72-L166 HydrophobicContact CE1-CD1 4.49Å; F72-L166 HydrophobicContact CE2-CD2 4.38Å; F72-L166 HydrophobicContact CZ-CD1 4.03Å; F72-L166 HydrophobicContact CZ-CD2 4.18Å; F157-L166 HydrophobicContact CD1-CB 4.38Å; F157-L166 HydrophobicContact CE1-CB 4.12Å; F157-L166 HydrophobicContact CE2-CB 4.31Å; F157-L166 HydrophobicContact CZ-CB 4.11Å; N163-L166 HydrophobicContact CB-CD1 4.34Å; N163-L166 WeakPolarHBondContact O-CB 3.48Å; N163-L166 PolarHBondContact O-N 3.44Å; L164-L166 VanDerWaalsContact C-N 3.35Å; L164-L166 PolarHBondContact O-N 3.22Å; L166-A168 PolarHBondContact O-N 3.4Å; L166-I169 PolarHBondContact O-N 3.48Å; L166-S170 VanDerWaalsContact O-CB 3.25Å; L166-S170 WeakPolarHBondContact O-CB 3.28Å; L166-S170 PolarHBondContact O-N 3.41Å; L166-S170 PolarHBondContact O-OG 3.4Å; L166-F274 HydrophobicContact CD2-CE2 4.12Å
167	K	98.3	Very high	97	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-54.5	-43.2	170.5	-168.5	-175.7	-64.5	-172.6	0	111	S97 F155 F157 D159 N163 L164 S170 W171	S97-K167 PolarHBondContact O-NZ 2.79Å; F155-K167 HydrophobicContact CD2-CG 4.49Å; F155-K167 HydrophobicContact CE2-CG 4.22Å; F157-K167 HydrophobicContact CE2-CB 4.15Å; F157-K167 HydrophobicContact CZ-CB 4.2Å; D159-K167 WeakPolarHBondContact OD1-CE 3.44Å; D159-K167 IonicContact OD1-NZ 3.23Å; D159-K167 PolarHBondContact OD1-NZ 3.16Å; D159-K167 VanDerWaalsContact OD2-CE 3.25Å; D159-K167 WeakPolarHBondContact OD2-CE 3.13Å; D159-K167 IonicContact OD2-NZ 3.91Å; D159-K167 PolarHBondContact OD2-NZ 2.93Å; N163-K167 PolarHBondContact O-N 3.08Å; L164-K167 WeakPolarHBondContact O-CB 3.42Å; L164-K167 PolarHBondContact O-N 2.93Å; K167-S170 PolarHBondContact O-N 3.48Å; K167-W171 PolarHBondContact O-N 2.99Å
168	A	98.6	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-49.4	-178.9	0	0	0	0	0	114	L164 T165 L166 S170 W171 L172 D278 I282	L164-A168 WeakPolarHBondContact O-CB 3.41Å; L164-A168 PolarHBondContact O-N 2.84Å; T165-A168 PolarHBondContact O-N 3.18Å; T165-A168 VanDerWaalsContact O-N 3.17Å; L166-A168 PolarHBondContact O-N 3.4Å; A168-S170 PolarHBondContact O-N 3.38Å; A168-W171 VanDerWaalsContact CA-CD1 3.49Å; A168-W171 VanDerWaalsContact CA-NE1 3.29Å; A168-L172 WeakPolarHBondContact O-CG 3.46Å; A168-L172 PolarHBondContact O-N 3.08Å; A168-L172 VanDerWaalsContact O-N 3.08Å; A168-D278 HydrophobicContact CB-CB 4.33Å; A168-I282 HydrophobicContact CB-CD1 3.89Å; A168-I282 HydrophobicContact CB-CG1 3.69Å
169	I	98.5	Very high	97.3	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-39.3	174.6	-65.1	165.4	0	0	0	110.6	V58 L60 T165 L166 L172 N173 L266 V269 Y281 I282	V58-I169 HydrophobicContact CG1-CD1 4.32Å; V58-I169 HydrophobicContact CG1-CG2 3.96Å; V58-I169 HydrophobicContact CG2-CG2 3.89Å; L60-I169 HydrophobicContact CD2-CD1 4.07Å; T165-I169 HydrophobicContact CG2-CD1 3.92Å; T165-I169 HydrophobicContact CG2-CG1 4.44Å; T165-I169 WeakPolarHBondContact O-CG1 3.43Å; T165-I169 PolarHBondContact O-N 2.89Å; L166-I169 PolarHBondContact O-N 3.48Å; I169-L172 WeakPolarHBondContact O-CB 3.27Å; I169-L172 PolarHBondContact O-N 3.37Å; I169-N173 PolarHBondContact O-N 2.77Å; I169-L266 HydrophobicContact CG2-CD2 4.13Å; I169-V269 HydrophobicContact CD1-CG1 3.96Å; I169-V269 HydrophobicContact CD1-CG2 4.27Å; I169-V269 HydrophobicContact CG1-CG2 4.26Å; I169-Y281 HydrophobicContact CD1-CE1 4.15Å; I169-I282 HydrophobicContact CG1-CD1 4.02Å
170	S	98.4	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69	-43.6	-176	-58.9	0	0	0	0	113	F56 F157 L166 K167 A168 L172 N173 W174	F56-S170 WeakPolarHBondContact CZ-OG 3.47Å; F157-S170 WeakPolarHBondContact CE1-OG 3.45Å; L166-S170 VanDerWaalsContact O-CB 3.25Å; L166-S170 WeakPolarHBondContact O-CB 3.28Å; L166-S170 PolarHBondContact O-N 3.41Å; L166-S170 PolarHBondContact O-OG 3.4Å; K167-S170 PolarHBondContact O-N 3.48Å; A168-S170 PolarHBondContact O-N 3.38Å; S170-L172 VanDerWaalsContact C-N 3.34Å; S170-N173 PolarHBondContact O-N 3.14Å; S170-W174 WeakPolarHBondContact O-CB 3.44Å; S170-W174 PolarHBondContact O-N 2.82Å
171	W	98.5	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.5	-29.1	174.5	72.2	-112.9	0	0	0	112.3	I94 H96 A128 I153 F155 K167 A168 W174 A175 I185 K187 Y255 L257	I94-W171 HydrophobicContact CB-CD2 4.43Å; I94-W171 HydrophobicContact CG1-CD2 4.26Å; I94-W171 HydrophobicContact CG1-CE3 3.92Å; I94-W171 HydrophobicContact CG2-CB 3.88Å; I94-W171 HydrophobicContact CG2-CD2 4.01Å; I94-W171 HydrophobicContact CG2-CG 3.69Å; H96-W171 AromaticContact CD2-CD1 3.96Å; H96-W171 AromaticContact CD2-NE1 3.9Å; H96-W171 AromaticContact CE1-NE1 3.8Å; H96-W171 AromaticContact NE2-CD1 3.12Å; H96-W171 AromaticContact NE2-NE1 2.93Å; H96-W171 PolarHBondContact NE2-NE1 3.11Å; A128-W171 HydrophobicContact CB-CB 4.35Å; I153-W171 HydrophobicContact CD1-CB 4.1Å; F155-W171 HydrophobicContact CZ-CB 4.11Å; K167-W171 PolarHBondContact O-N 2.99Å; A168-W171 VanDerWaalsContact CA-CD1 3.49Å; A168-W171 VanDerWaalsContact CA-NE1 3.29Å; W171-W174 PolarHBondContact O-N 3.45Å; W171-A175 VanDerWaalsContact O-CB 3.32Å; W171-A175 WeakPolarHBondContact O-CB 3.32Å; W171-A175 PolarHBondContact O-N 3.06Å; W171-I185 HydrophobicContact CE3-CD1 4.42Å; W171-I185 HydrophobicContact CE3-CG2 4.27Å; W171-I185 HydrophobicContact CH2-CG2 4.28Å; W171-I185 HydrophobicContact CZ3-CB 4.49Å; W171-I185 HydrophobicContact CZ3-CD1 3.78Å; W171-I185 HydrophobicContact CZ3-CG2 3.68Å; W171-K187 HydrophobicContact CZ2-CB 4.4Å; W171-K187 HydrophobicContact CZ2-CG 4.22Å; W171-Y255 HydrophobicContact CH2-CE2 4.31Å; W171-Y255 HydrophobicContact CZ2-CE2 4.26Å; W171-Y255 WeakPolarHBondContact CZ2-OH 3.28Å; W171-L257 HydrophobicContact CH2-CD2 3.99Å; W171-L257 HydrophobicContact CZ3-CD2 4.44Å
172	L	98.7	Very high	97.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-45.4	171.2	-78	166.1	0	0	0	110.7	A168 I169 S170 A175 S176 L257 V262 L266 I282	A168-L172 WeakPolarHBondContact O-CG 3.46Å; A168-L172 PolarHBondContact O-N 3.08Å; A168-L172 VanDerWaalsContact O-N 3.08Å; I169-L172 WeakPolarHBondContact O-CB 3.27Å; I169-L172 PolarHBondContact O-N 3.37Å; S170-L172 VanDerWaalsContact C-N 3.34Å; L172-A175 PolarHBondContact O-N 3.37Å; L172-S176 WeakPolarHBondContact O-CB 3.49Å; L172-S176 PolarHBondContact O-N 2.93Å; L172-L257 HydrophobicContact CD2-CD1 4.05Å; L172-V262 HydrophobicContact CB-CG1 4.22Å; L172-V262 HydrophobicContact CD2-CB 4.36Å; L172-V262 HydrophobicContact CD2-CG1 3.91Å; L172-V262 HydrophobicContact CD2-CG2 3.96Å; L172-V262 WeakPolarHBondContact O-CG1 3.37Å; L172-L266 HydrophobicContact CB-CD1 4.49Å; L172-L266 HydrophobicContact CB-CD2 3.83Å; L172-L266 HydrophobicContact CB-CG 4.22Å; L172-I282 HydrophobicContact CD1-CD1 4.1Å; L172-I282 HydrophobicContact CD1-CG2 4.12Å
173	N	98.1	Very high	97.9	Very high	42 Å²	42	23.7 Å²	23.7	23%	0.225	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-45	175.4	-167.8	67	0	0	0	111.5	F56 Y74 I169 S170 S176 K177 L266	F56-N173 WeakPolarHBondContact CB-ND2 3.25Å; F56-N173 HydrophobicContact CD2-CB 4.31Å; F56-N173 WeakPolarHBondContact CG-ND2 3.48Å; Y74-N173 PolarHBondContact OH-ND2 3.02Å; I169-N173 PolarHBondContact O-N 2.77Å; S170-N173 PolarHBondContact O-N 3.14Å; N173-S176 PolarHBondContact O-N 3.31Å; N173-K177 WeakPolarHBondContact O-CB 3.39Å; N173-K177 PolarHBondContact O-N 3.18Å; N173-L266 HydrophobicContact CB-CD2 4.49Å
174	W	98.5	Very high	98.1	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-58	-50.2	176	178.1	88	0	0	0	111.8	Y74 F81 I92 I94 V126 I153 S170 W171 S176 K177 Y178 C179	Y74-W174 HydrophobicContact CE1-CB 3.83Å; Y74-W174 AromaticContact CE1-CD1 4Å; Y74-W174 HydrophobicContact CE1-CG 4.33Å; Y74-W174 WeakPolarHBondContact OH-CA 3.36Å; Y74-W174 PolarHBondContact OH-N 3.35Å; F81-W174 HydrophobicContact CB-CZ2 4.29Å; F81-W174 HydrophobicContact CD1-CH2 4Å; F81-W174 HydrophobicContact CD1-CZ2 4.25Å; F81-W174 HydrophobicContact CG-CZ2 4.41Å; I92-W174 HydrophobicContact CD1-CH2 4.13Å; I92-W174 HydrophobicContact CD1-CZ3 4.23Å; I92-W174 HydrophobicContact CG1-CH2 4.26Å; I92-W174 HydrophobicContact CG1-CZ3 3.87Å; I94-W174 HydrophobicContact CD1-CE3 4.07Å; I94-W174 HydrophobicContact CD1-CZ3 3.72Å; V126-W174 HydrophobicContact CB-CH2 4.42Å; V126-W174 HydrophobicContact CG1-CH2 3.77Å; V126-W174 HydrophobicContact CG1-CZ2 4.17Å; V126-W174 HydrophobicContact CG2-CH2 3.83Å; V126-W174 HydrophobicContact CG2-CZ3 3.79Å; I153-W174 HydrophobicContact CD1-CB 4.41Å; I153-W174 HydrophobicContact CD1-CD2 3.83Å; I153-W174 HydrophobicContact CD1-CE3 3.94Å; I153-W174 HydrophobicContact CD1-CG 4.01Å; I153-W174 HydrophobicContact CG2-CD2 4.13Å; I153-W174 HydrophobicContact CG2-CG 4.34Å; I153-W174 HydrophobicContact CG2-CZ2 4Å; S170-W174 WeakPolarHBondContact O-CB 3.44Å; S170-W174 PolarHBondContact O-N 2.82Å; W171-W174 PolarHBondContact O-N 3.45Å; W174-S176 VanDerWaalsContact C-N 3.34Å; W174-S176 PolarHBondContact O-N 2.84Å; W174-K177 PolarHBondContact O-N 2.99Å; W174-K177 VanDerWaalsContact O-N 3.12Å; W174-Y178 HydrophobicContact CB-CD2 4.49Å; W174-Y178 AromaticContact CD1-CD2 3.25Å; W174-Y178 AromaticContact CD1-CE2 3.68Å; W174-Y178 HydrophobicContact CD2-CD2 4.43Å; W174-Y178 AromaticContact CG-CD2 3.86Å; W174-Y178 HydrophobicContact CG-CD2 3.86Å; W174-Y178 HydrophobicContact CG-CE2 4.49Å; W174-Y178 AromaticContact NE1-CD2 3.44Å; W174-Y178 WeakPolarHBondContact O-CD2 3.26Å; W174-Y178 PolarHBondContact O-N 2.6Å; W174-C179 WeakPolarHBondContact CH2-SG 3.21Å
175	A	98.6	Very high	98.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-41.1	-178.5	0	0	0	0	0	111.6	W171 L172 K177 C179 I185 M259	W171-A175 VanDerWaalsContact O-CB 3.32Å; W171-A175 WeakPolarHBondContact O-CB 3.32Å; W171-A175 PolarHBondContact O-N 3.06Å; L172-A175 PolarHBondContact O-N 3.37Å; A175-K177 VanDerWaalsContact C-N 3.28Å; A175-K177 PolarHBondContact O-N 3.22Å; A175-C179 CarbonylContact O-C 3.48Å; A175-C179 WeakPolarHBondContact O-CA 3.46Å; A175-C179 PolarHBondContact O-N 3.36Å; A175-I185 HydrophobicContact CB-CD1 3.52Å; A175-I185 HydrophobicContact CB-CG1 4.48Å; A175-M259 HydrophobicContact CB-CE 4.28Å
176	S	98	Very high	98.2	Very high	22 Å²	22	22.4 Å²	22.4	15%	0.154	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-29.7	175.6	-176	0	0	0	0	113.3	L172 N173 W174	L172-S176 WeakPolarHBondContact O-CB 3.49Å; L172-S176 PolarHBondContact O-N 2.93Å; N173-S176 PolarHBondContact O-N 3.31Å; W174-S176 VanDerWaalsContact C-N 3.34Å; W174-S176 PolarHBondContact O-N 2.84Å
177	K	97.6	Very high	98.3	Very high	108 Å²	108	22.3 Å²	22.3	47%	0.47	12%	0.122	S	C	.	.	H	α-helix	trans	-87.2	-50.3	-177.1	-175.5	176.4	177.6	-164.7	0	111.8	N173 W174 A175	N173-K177 WeakPolarHBondContact O-CB 3.39Å; N173-K177 PolarHBondContact O-N 3.18Å; W174-K177 PolarHBondContact O-N 2.99Å; W174-K177 VanDerWaalsContact O-N 3.12Å; A175-K177 VanDerWaalsContact C-N 3.28Å; A175-K177 PolarHBondContact O-N 3.22Å
178	Y	98	Very high	98.2	Very high	23 Å²	23	22 Å²	22	9%	0.09	12%	0.121	C	C	.	.	H	α-helix	trans	-100.7	-21.3	-169.2	-59.5	-72.3	0	0	0	113.8	Y74 L77 E79 C82 W174	Y74-Y178 HydrophobicContact CD2-CE2 4.32Å; Y74-Y178 AromaticContact CE2-CE2 3.9Å; Y74-Y178 HydrophobicContact CE2-CE2 3.9Å; L77-Y178 HydrophobicContact CD1-CD2 4.35Å; L77-Y178 HydrophobicContact CD1-CE2 4.07Å; L77-Y178 HydrophobicContact CD2-CE1 4.48Å; L77-Y178 HydrophobicContact CD2-CE2 4.05Å; L77-Y178 WeakPolarHBondContact CD2-OH 3.49Å; E79-Y178 HydrophobicContact CB-CD1 4.16Å; E79-Y178 HydrophobicContact CB-CE1 3.92Å; E79-Y178 HydrophobicContact CG-CD1 4.38Å; E79-Y178 HydrophobicContact CG-CE1 3.69Å; C82-Y178 VanDerWaalsContact CB-O 3.28Å; C82-Y178 WeakPolarHBondContact CB-O 3.45Å; W174-Y178 HydrophobicContact CB-CD2 4.49Å; W174-Y178 AromaticContact CD1-CD2 3.25Å; W174-Y178 AromaticContact CD1-CE2 3.68Å; W174-Y178 HydrophobicContact CD2-CD2 4.43Å; W174-Y178 AromaticContact CG-CD2 3.86Å; W174-Y178 HydrophobicContact CG-CD2 3.86Å; W174-Y178 HydrophobicContact CG-CE2 4.49Å; W174-Y178 AromaticContact NE1-CD2 3.44Å; W174-Y178 WeakPolarHBondContact O-CD2 3.26Å; W174-Y178 PolarHBondContact O-N 2.6Å
179	C	98.3	Very high	98.2	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.02	13%	0.131	C	C	.	.			trans	-125.1	44.9	179.4	-60.1	0	0	0	0	113.5	C82 W174 A175 N181 A182 M259	C82-C179 HydrophobicContact CB-CB 3.74Å; C82-C179 WeakPolarHBondContact CB-SG 3.3Å; C82-C179 WeakPolarHBondContact SG-CB 3.41Å; C82-C179 CovalentContact SG-SG 2.04Å; C82-C179 PolarHBondContact SG-SG 2.8Å; W174-C179 WeakPolarHBondContact CH2-SG 3.21Å; A175-C179 CarbonylContact O-C 3.48Å; A175-C179 WeakPolarHBondContact O-CA 3.46Å; A175-C179 PolarHBondContact O-N 3.36Å; C179-N181 PolarHBondContact O-N 3.02Å; C179-N181 VanDerWaalsContact O-N 3.1Å; C179-A182 PolarHBondContact O-N 3.02Å; C179-M259 WeakPolarHBondContact O-CE 3.22Å
180	P	97.3	Very high	98.1	Very high	67 Å²	67	24 Å²	24	44%	0.435	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.1	-171.3	29.1	-37.3	0	0	0	114.2
181	N	96.7	Very high	97.8	Very high	138 Å²	138	25.2 Å²	25.2	74%	0.738	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.5	-176.9	-64.7	-22.9	0	0	0	113.7	C179	C179-N181 PolarHBondContact O-N 3.02Å; C179-N181 VanDerWaalsContact O-N 3.1Å
182	A	98.2	Very high	97.5	Very high	6 Å²	6	25.2 Å²	25.2	5%	0.05	14%	0.138	C	C	.	.			trans	-65.6	141	174.7	0	0	0	0	0	110.6	T89 I92 C179 M259	T89-A182 HydrophobicContact CG2-CB 3.95Å; T89-A182 VanDerWaalsContact O-CA 3.29Å; T89-A182 WeakPolarHBondContact O-CA 3.38Å; I92-A182 HydrophobicContact CB-CB 4.4Å; I92-A182 HydrophobicContact CG2-CB 4.02Å; C179-A182 PolarHBondContact O-N 3.02Å; A182-M259 HydrophobicContact CB-CE 3.86Å; A182-M259 WeakPolarHBondContact O-CB 3.26Å; A182-M259 VanDerWaalsContact O-CG 3.27Å; A182-M259 WeakPolarHBondContact O-CG 3.24Å
183	S	98.2	Very high	97.2	Very high	43 Å²	43	25.1 Å²	25.1	30%	0.301	14%	0.137	S	C	.	.	S	Bend	trans	-79.5	-35.5	178.1	-63.9	0	0	0	0	111.6	F90 M259	F90-S183 VanDerWaalsContact CE2-CB 3.49Å; F90-S183 PolarHBondContact O-N 2.83Å; S183-M259 PolarHBondContact O-N 3.35Å
184	Y	98.8	Very high	96.9	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.7	-178.3	-63.4	-94.7	0	0	0	112.1	F90 V91 I92 L203 N207 Y217 L257 T258	F90-Y184 HydrophobicContact CE1-CD2 4.29Å; F90-Y184 HydrophobicContact CE2-CD2 4.04Å; F90-Y184 HydrophobicContact CE2-CE2 4.03Å; F90-Y184 AromaticContact CZ-CD2 3.74Å; F90-Y184 HydrophobicContact CZ-CD2 3.74Å; F90-Y184 AromaticContact CZ-CE2 3.71Å; F90-Y184 HydrophobicContact CZ-CE2 3.71Å; F90-Y184 PolarHBondContact O-N 3.18Å; F90-Y184 VanDerWaalsContact O-N 3.09Å; V91-Y184 WeakPolarHBondContact CA-O 3.33Å; I92-Y184 PolarHBondContact N-O 3.09Å; Y184-L203 HydrophobicContact CD1-CD1 4.44Å; Y184-L203 HydrophobicContact CD1-CD2 3.74Å; Y184-L203 HydrophobicContact CD1-CG 4.48Å; Y184-L203 HydrophobicContact CD2-CB 4.29Å; Y184-L203 HydrophobicContact CE1-CD2 3.91Å; Y184-L203 HydrophobicContact CE2-CB 4.44Å; Y184-L203 HydrophobicContact CG-CB 4.41Å; Y184-L203 HydrophobicContact CG-CD1 4.17Å; Y184-L203 HydrophobicContact CG-CD2 4.24Å; Y184-N207 HydrophobicContact CE2-CB 3.75Å; Y184-N207 VanDerWaalsContact OH-CA 3.3Å; Y184-N207 WeakPolarHBondContact OH-CA 3.41Å; Y184-N207 WeakPolarHBondContact OH-CB 3.45Å; Y184-N207 PolarHBondContact OH-N 2.97Å; Y184-Y217 AromaticContact CE1-CE2 4Å; Y184-Y217 HydrophobicContact CE1-CE2 4Å; Y184-L257 CarbonylContact C-O 3.59Å; Y184-L257 VanDerWaalsContact CA-O 3.29Å; Y184-L257 WeakPolarHBondContact CA-O 3.36Å; Y184-T258 HydrophobicContact CD1-CG2 4.06Å; Y184-T258 HydrophobicContact CE1-CG2 3.53Å
185	I	98.8	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.7	164.6	-54.6	-177.8	0	0	0	107.7	I92 I94 W171 A175 S256 L257 M259 V262	I92-I185 HydrophobicContact CG2-CB 4.21Å; I92-I185 HydrophobicContact CG2-CG1 3.67Å; I92-I185 HydrophobicContact CG2-CG2 4.32Å; I92-I185 CarbonylContact O-C 3.16Å; I92-I185 VanDerWaalsContact O-CA 3.3Å; I92-I185 WeakPolarHBondContact O-CA 3.29Å; I94-I185 HydrophobicContact CG1-CG2 3.67Å; W171-I185 HydrophobicContact CE3-CD1 4.42Å; W171-I185 HydrophobicContact CE3-CG2 4.27Å; W171-I185 HydrophobicContact CH2-CG2 4.28Å; W171-I185 HydrophobicContact CZ3-CB 4.49Å; W171-I185 HydrophobicContact CZ3-CD1 3.78Å; W171-I185 HydrophobicContact CZ3-CG2 3.68Å; A175-I185 HydrophobicContact CB-CD1 3.52Å; A175-I185 HydrophobicContact CB-CG1 4.48Å; I185-S256 CarbonylContact O-C 3.56Å; I185-S256 WeakPolarHBondContact O-CA 3.35Å; I185-L257 HydrophobicContact CB-CD2 3.57Å; I185-L257 HydrophobicContact CB-CG 4.05Å; I185-L257 HydrophobicContact CG2-CD2 3.91Å; I185-L257 PolarHBondContact N-O 3.45Å; I185-L257 PolarHBondContact O-N 2.94Å; I185-M259 HydrophobicContact CD1-CE 3.71Å; I185-M259 HydrophobicContact CD1-SD 4Å; I185-M259 HydrophobicContact CG1-CE 3.57Å; I185-M259 HydrophobicContact CG1-SD 4.33Å; I185-V262 HydrophobicContact CD1-CG2 3.57Å
186	L	98.7	Very high	96.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.2	171.6	168.9	59.4	0	0	0	109	V91 I92 A93 I94 V188 V194 I199 S256 F318	V91-L186 HydrophobicContact CG1-CB 3.72Å; I92-L186 PolarHBondContact O-N 3.45Å; A93-L186 CarbonylContact C-O 3.6Å; A93-L186 VanDerWaalsContact CA-O 3.24Å; A93-L186 WeakPolarHBondContact CA-O 3.39Å; A93-L186 HydrophobicContact CB-CB 4.37Å; A93-L186 HydrophobicContact CB-CD2 4.49Å; I94-L186 PolarHBondContact N-O 2.82Å; L186-V188 HydrophobicContact CD1-CG2 3.74Å; L186-V188 HydrophobicContact CD2-CG2 4.17Å; L186-V188 HydrophobicContact CG-CG2 3.64Å; L186-V194 HydrophobicContact CD2-CG1 4.48Å; L186-I199 HydrophobicContact CD2-CG1 4.48Å; L186-I199 HydrophobicContact CD2-CG2 4.25Å; L186-S256 WeakPolarHBondContact CD1-OG 3.28Å; L186-F318 HydrophobicContact CD1-CE1 3.93Å; L186-F318 HydrophobicContact CD1-CZ 3.93Å
187	K	98.5	Very high	95.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.8	173.2	-172.5	-84.6	-168.2	-173.9	0	109.8	I94 H96 W171 D189 G252 S254 Y255	I94-K187 WeakPolarHBondContact O-CA 3.49Å; H96-K187 WeakPolarHBondContact ND1-CE 3.37Å; W171-K187 HydrophobicContact CZ2-CB 4.4Å; W171-K187 HydrophobicContact CZ2-CG 4.22Å; K187-D189 IonicContact NZ-OD1 3.84Å; K187-D189 PolarHBondContact NZ-OD1 3.34Å; K187-G252 PolarHBondContact NZ-O 3.1Å; K187-S254 WeakPolarHBondContact O-CA 3.44Å; K187-S254 WeakPolarHBondContact O-CB 3.44Å; K187-Y255 HydrophobicContact CB-CD1 4.47Å; K187-Y255 HydrophobicContact CB-CD2 3.83Å; K187-Y255 HydrophobicContact CB-CE1 4.18Å; K187-Y255 HydrophobicContact CB-CE2 3.47Å; K187-Y255 VanDerWaalsContact CB-CE2 3.47Å; K187-Y255 HydrophobicContact CB-CG 4.33Å; K187-Y255 HydrophobicContact CD-CD1 4.3Å; K187-Y255 HydrophobicContact CD-CE1 3.73Å; K187-Y255 HydrophobicContact CG-CE1 4.08Å; K187-Y255 HydrophobicContact CG-CE2 4.03Å; K187-Y255 PolarHBondContact N-O 3.43Å; K187-Y255 PolarHBondContact O-N 3.39Å
188	V	97.8	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.2	179.6	-168.6	0	0	0	0	110.4	I94 V95 H96 W112 L186 M192 V194	I94-V188 PolarHBondContact O-N 3.35Å; V95-V188 CarbonylContact C-O 3.5Å; V95-V188 VanDerWaalsContact CA-O 3.26Å; V95-V188 WeakPolarHBondContact CA-O 3.26Å; H96-V188 PolarHBondContact N-O 3.3Å; W112-V188 HydrophobicContact CH2-CB 4.31Å; W112-V188 HydrophobicContact CH2-CG1 4.42Å; W112-V188 HydrophobicContact CH2-CG2 4.36Å; W112-V188 HydrophobicContact CZ2-CG1 4.22Å; L186-V188 HydrophobicContact CD1-CG2 3.74Å; L186-V188 HydrophobicContact CD2-CG2 4.17Å; L186-V188 HydrophobicContact CG-CG2 3.64Å; V188-M192 HydrophobicContact CG1-CB 3.49Å; V188-M192 VanDerWaalsContact CG1-CB 3.49Å; V188-M192 HydrophobicContact CG1-CG 3.87Å; V188-V194 HydrophobicContact CG1-CG2 3.61Å; V188-V194 HydrophobicContact CG2-CG2 4.09Å
189	D	97	Very high	95.3	Very high	39 Å²	39	18.3 Å²	18.3	21%	0.209	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	149.9	168.2	-69.2	-13.2	0	0	0	112	K187 D191 M192 S253	K187-D189 IonicContact NZ-OD1 3.84Å; K187-D189 PolarHBondContact NZ-OD1 3.34Å; D189-D191 WeakPolarHBondContact CB-OD1 3.48Å; D189-D191 PolarHBondContact O-N 3.41Å; D189-M192 HydrophobicContact CB-CG 4.08Å; D189-M192 WeakPolarHBondContact O-CB 3.37Å; D189-M192 PolarHBondContact O-N 2.86Å; D189-M192 VanDerWaalsContact O-N 3.15Å; D189-S253 PolarHBondContact N-O 2.02Å; D189-S253 WeakPolarHBondContact OD2-CA 3.26Å
190	D	96.7	Very high	95.2	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.043	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	1.3	-178.3	74.1	13.7	0	0	0	115.6	V95 H96 S97 N101 R104 I108	V95-D190 HydrophobicContact CG1-CB 3.88Å; H96-D190 WeakPolarHBondContact O-CB 3.19Å; H96-D190 PolarHBondContact O-N 3.38Å; S97-D190 VanDerWaalsContact CA-OD2 3.32Å; S97-D190 WeakPolarHBondContact CA-OD2 3.17Å; S97-D190 WeakPolarHBondContact CB-OD2 3.38Å; S97-D190 PolarHBondContact OG-OD2 2.81Å; N101-D190 WeakPolarHBondContact CB-OD2 3.49Å; N101-D190 PolarHBondContact ND2-OD2 3.11Å; R104-D190 HydrophobicContact CB-CB 4.34Å; R104-D190 WeakPolarHBondContact CD-OD1 3.27Å; R104-D190 IonicContact CZ-OD1 3.81Å; R104-D190 IonicContact NE-OD1 3.27Å; R104-D190 IonicContact NH1-OD1 3.61Å; R104-D190 PolarHBondContact NH1-OD1 3.33Å; I108-D190 HydrophobicContact CD1-CB 3.95Å
191	D	93.7	Very high	94.9	Very high	24 Å²	24	23.6 Å²	23.6	13%	0.128	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	7.7	177.9	75.2	-10	0	0	0	113.9	D189 H320 L321 R328	D189-D191 WeakPolarHBondContact CB-OD1 3.48Å; D189-D191 PolarHBondContact O-N 3.41Å; D191-H320 IonicContact OD1-CD2 3.52Å; D191-H320 PolarHBondContact OD1-CD2 2.96Å; D191-H320 VanDerWaalsContact OD1-CD2 3.27Å; D191-H320 IonicContact OD1-NE2 2.83Å; D191-H320 PolarHBondContact OD1-NE2 3.1Å; D191-H320 IonicContact OD2-CD2 3.3Å; D191-H320 IonicContact OD2-CE1 3.82Å; D191-H320 IonicContact OD2-NE2 3.71Å; D191-H320 PolarHBondContact OD2-NE2 3.15Å; D191-L321 CarbonylContact O-C 3.57Å; D191-L321 PolarHBondContact O-N 2.88Å; D191-L321 VanDerWaalsContact O-N 3.16Å; D191-R328 VanDerWaalsContact CA-NH1 3.32Å; D191-R328 PolarHBondContact O-NH1 3.27Å
192	M	92.4	Very high	94.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	149.6	176.4	-67.8	-67.8	-58.9	0	0	112.7	V188 D189 S253 Y301 F318 V319 H320	V188-M192 HydrophobicContact CG1-CB 3.49Å; V188-M192 VanDerWaalsContact CG1-CB 3.49Å; V188-M192 HydrophobicContact CG1-CG 3.87Å; D189-M192 HydrophobicContact CB-CG 4.08Å; D189-M192 WeakPolarHBondContact O-CB 3.37Å; D189-M192 PolarHBondContact O-N 2.86Å; D189-M192 VanDerWaalsContact O-N 3.15Å; M192-S253 WeakPolarHBondContact CG-O 3.4Å; M192-Y301 HydrophobicContact CE-CE1 4.18Å; M192-Y301 WeakPolarHBondContact CE-OH 3.47Å; M192-F318 HydrophobicContact CE-CB 3.8Å; M192-V319 VanDerWaalsContact CE-C 3.43Å; M192-V319 WeakPolarHBondContact CE-O 2.98Å; M192-H320 HydrophobicContact CE-CB 4.45Å; M192-H320 WeakPolarHBondContact SD-CA 3.41Å; M192-H320 HydrophobicContact SD-CB 3.58Å; M192-H320 VanDerWaalsContact SD-CB 3.58Å; M192-H320 VanDerWaalsContact SD-CD2 3.57Å
193	F	91	Very high	94.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.7	156.2	167.4	-87.5	0	0	0	109.9	N195 F311 V319 L321 L331 W332 T335	F193-N195 HydrophobicContact CE1-CB 4.09Å; F193-N195 HydrophobicContact CZ-CB 4.36Å; F193-F311 HydrophobicContact CD1-CZ 4.38Å; F193-F311 HydrophobicContact CE1-CE2 4.33Å; F193-F311 AromaticContact CE1-CZ 3.68Å; F193-F311 HydrophobicContact CE1-CZ 3.68Å; F193-F311 HydrophobicContact CZ-CZ 4.28Å; F193-V319 HydrophobicContact CB-CB 4.27Å; F193-V319 HydrophobicContact CD1-CB 4.23Å; F193-V319 HydrophobicContact CD1-CG2 3.97Å; F193-V319 PolarHBondContact N-O 2.92Å; F193-V319 PolarHBondContact O-N 3.15Å; F193-L321 HydrophobicContact CB-CD1 4.02Å; F193-L331 HydrophobicContact CB-CD2 4.04Å; F193-L331 HydrophobicContact CD1-CD2 3.39Å; F193-L331 HydrophobicContact CD1-CG 4.06Å; F193-L331 HydrophobicContact CD2-CB 3.96Å; F193-L331 HydrophobicContact CD2-CD2 3.86Å; F193-L331 HydrophobicContact CD2-CG 3.97Å; F193-L331 HydrophobicContact CE1-CD2 3.77Å; F193-L331 HydrophobicContact CE1-CG 3.97Å; F193-L331 HydrophobicContact CE2-CB 4.01Å; F193-L331 HydrophobicContact CE2-CD2 4.18Å; F193-L331 HydrophobicContact CE2-CG 3.87Å; F193-L331 HydrophobicContact CG-CB 4.41Å; F193-L331 HydrophobicContact CG-CD2 3.46Å; F193-L331 VanDerWaalsContact CG-CD2 3.46Å; F193-L331 HydrophobicContact CG-CG 4.07Å; F193-L331 HydrophobicContact CZ-CD2 4.15Å; F193-L331 HydrophobicContact CZ-CG 3.88Å; F193-W332 HydrophobicContact CE2-CB 4.13Å; F193-W332 HydrophobicContact CE2-CE3 4.09Å; F193-T335 WeakPolarHBondContact CZ-OG1 3.41Å
194	V	92.5	Very high	94.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.9	178.2	-173.5	0	0	0	0	110	W112 L186 V188 I196 I199 I317 F318	W112-V194 HydrophobicContact CD2-CB 4.06Å; W112-V194 HydrophobicContact CD2-CG2 4.32Å; W112-V194 HydrophobicContact CG-CB 4.13Å; W112-V194 HydrophobicContact CH2-CG2 4.47Å; W112-V194 HydrophobicContact CZ2-CG2 4.02Å; L186-V194 HydrophobicContact CD2-CG1 4.48Å; V188-V194 HydrophobicContact CG1-CG2 3.61Å; V188-V194 HydrophobicContact CG2-CG2 4.09Å; V194-I196 HydrophobicContact CG1-CG2 4.24Å; V194-I196 PolarHBondContact O-N 3.07Å; V194-I199 HydrophobicContact CG1-CG2 4.31Å; V194-I317 CarbonylContact C-O 3.6Å; V194-I317 WeakPolarHBondContact CA-O 2.95Å; V194-F318 HydrophobicContact CG1-CD1 4.2Å; V194-F318 HydrophobicContact CG1-CE1 3.84Å; V194-F318 HydrophobicContact CG2-CD1 4.14Å; V194-F318 HydrophobicContact CG2-CE1 4.26Å
195	N	91.1	Very high	94.4	Very high	14 Å²	14	27.5 Å²	27.5	8%	0.075	13%	0.127	C	C	.	.			trans	-83.3	94.7	165.1	179.8	-6	0	0	0	109.2	F193 F197 G198 I199 I317	F193-N195 HydrophobicContact CE1-CB 4.09Å; F193-N195 HydrophobicContact CZ-CB 4.36Å; N195-F197 PolarHBondContact O-N 3.07Å; N195-F197 WeakPolarHBondContact OD1-CB 3.42Å; N195-F197 PolarHBondContact OD1-N 3.3Å; N195-F197 VanDerWaalsContact OD1-N 3.16Å; N195-G198 PolarHBondContact O-N 3.16Å; N195-G198 PolarHBondContact OD1-N 2.74Å; N195-I199 PolarHBondContact O-N 3.01Å; N195-I317 PolarHBondContact N-O 3.34Å
196	I	92.5	Very high	94.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-32.9	-178.9	51	86.9	0	0	0	112.9	W112 F117 F121 L123 V194 G198 I199 M200 W332	W112-I196 HydrophobicContact CB-CG1 4.29Å; W112-I196 HydrophobicContact CB-CG2 3.69Å; W112-I196 HydrophobicContact CE3-CG2 4.22Å; W112-I196 HydrophobicContact CG-CG2 4.45Å; F117-I196 HydrophobicContact CD1-CD1 3.47Å; F117-I196 VanDerWaalsContact CD1-CD1 3.47Å; F117-I196 HydrophobicContact CD1-CG1 4.32Å; F117-I196 HydrophobicContact CD2-CD1 4.37Å; F117-I196 HydrophobicContact CD2-CG1 4.39Å; F117-I196 HydrophobicContact CE1-CD1 3.41Å; F117-I196 VanDerWaalsContact CE1-CD1 3.41Å; F117-I196 HydrophobicContact CE1-CG1 4.28Å; F117-I196 HydrophobicContact CE2-CD1 4.32Å; F117-I196 HydrophobicContact CE2-CG1 4.34Å; F117-I196 HydrophobicContact CG-CD1 3.98Å; F117-I196 HydrophobicContact CG-CG1 4.39Å; F117-I196 HydrophobicContact CZ-CD1 3.88Å; F117-I196 HydrophobicContact CZ-CG1 4.3Å; F121-I196 HydrophobicContact CD2-CD1 3.96Å; F121-I196 HydrophobicContact CE2-CD1 3.56Å; L123-I196 HydrophobicContact CD2-CB 4.25Å; L123-I196 HydrophobicContact CD2-CG2 3.7Å; V194-I196 HydrophobicContact CG1-CG2 4.24Å; V194-I196 PolarHBondContact O-N 3.07Å; I196-G198 VanDerWaalsContact C-N 3.34Å; I196-G198 PolarHBondContact O-N 3.14Å; I196-I199 WeakPolarHBondContact O-CG2 3.48Å; I196-I199 PolarHBondContact O-N 3Å; I196-M200 VanDerWaalsContact O-CB 3.27Å; I196-M200 WeakPolarHBondContact O-CB 3.24Å; I196-M200 WeakPolarHBondContact O-CG 3.25Å; I196-M200 PolarHBondContact O-N 3.33Å; I196-W332 HydrophobicContact CD1-CH2 4.34Å; I196-W332 HydrophobicContact CG1-CH2 3.81Å; I196-W332 HydrophobicContact CG1-CZ3 4.01Å
197	F	90.2	Very high	94.2	Very high	20 Å²	20	31.5 Å²	31.5	9%	0.088	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-42.8	-177.6	-56	-83	0	0	0	110.7	F117 F121 N195 R201 W332 T335 L336 C339 C344	F117-F197 HydrophobicContact CE1-CE1 4.13Å; F117-F197 AromaticContact CE1-CZ 3.81Å; F117-F197 HydrophobicContact CE1-CZ 3.81Å; F117-F197 HydrophobicContact CZ-CZ 4.24Å; F121-F197 AromaticContact CE2-CD1 3.71Å; F121-F197 HydrophobicContact CE2-CD1 3.71Å; F121-F197 AromaticContact CE2-CE1 3.83Å; F121-F197 HydrophobicContact CE2-CE1 3.83Å; F121-F197 AromaticContact CZ-CD1 3.59Å; F121-F197 HydrophobicContact CZ-CD1 3.59Å; F121-F197 HydrophobicContact CZ-CE1 4.01Å; N195-F197 PolarHBondContact O-N 3.07Å; N195-F197 WeakPolarHBondContact OD1-CB 3.42Å; N195-F197 PolarHBondContact OD1-N 3.3Å; N195-F197 VanDerWaalsContact OD1-N 3.16Å; F197-R201 WeakPolarHBondContact O-CB 3.48Å; F197-R201 PolarHBondContact O-N 2.92Å; F197-R201 VanDerWaalsContact O-N 3.17Å; F197-W332 HydrophobicContact CE2-CH2 4.24Å; F197-W332 HydrophobicContact CE2-CZ3 4.48Å; F197-T335 HydrophobicContact CD2-CG2 3.92Å; F197-T335 HydrophobicContact CE2-CG2 4.1Å; F197-L336 HydrophobicContact CE2-CD2 4.21Å; F197-L336 HydrophobicContact CZ-CD2 4.11Å; F197-C339 HydrophobicContact CD1-CB 4.46Å; F197-C339 HydrophobicContact CD2-CB 4.2Å; F197-C339 WeakPolarHBondContact CD2-SG 3.36Å; F197-C339 HydrophobicContact CE1-CB 4.32Å; F197-C339 HydrophobicContact CE2-CB 4.01Å; F197-C339 HydrophobicContact CG-CB 4.42Å; F197-C339 WeakPolarHBondContact CG-SG 3.37Å; F197-C339 HydrophobicContact CZ-CB 4.08Å; F197-C344 HydrophobicContact CB-CB 4.24Å; F197-C344 HydrophobicContact CD1-CB 3.55Å; F197-C344 HydrophobicContact CE1-CB 4.14Å; F197-C344 HydrophobicContact CG-CB 4.03Å
198	G	90.2	Very high	94.2	Very high	19 Å²	19	35.6 Å²	35.6	20%	0.196	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-49.2	176.9	0	0	0	0	0	112.5	N195 I196 R201 L202	N195-G198 PolarHBondContact O-N 3.16Å; N195-G198 PolarHBondContact OD1-N 2.74Å; I196-G198 VanDerWaalsContact C-N 3.34Å; I196-G198 PolarHBondContact O-N 3.14Å; G198-R201 PolarHBondContact O-N 3Å; G198-L202 PolarHBondContact O-N 2.85Å
199	I	93.6	Very high	94.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.8	-39.6	-174.8	-169.8	58.5	0	0	0	111.2	L186 V194 N195 I196 R201 L202 L203 I317 F318	L186-I199 HydrophobicContact CD2-CG1 4.48Å; L186-I199 HydrophobicContact CD2-CG2 4.25Å; V194-I199 HydrophobicContact CG1-CG2 4.31Å; N195-I199 PolarHBondContact O-N 3.01Å; I196-I199 WeakPolarHBondContact O-CG2 3.48Å; I196-I199 PolarHBondContact O-N 3Å; I199-R201 PolarHBondContact O-N 3.26Å; I199-L202 HydrophobicContact CD1-CD2 4.46Å; I199-L202 PolarHBondContact O-N 3.28Å; I199-L203 HydrophobicContact CD1-CD1 4.32Å; I199-L203 HydrophobicContact CD1-CD2 4.48Å; I199-L203 HydrophobicContact CD1-CG 4.13Å; I199-L203 HydrophobicContact CG1-CD1 3.99Å; I199-L203 HydrophobicContact CG1-CG 4.22Å; I199-L203 WeakPolarHBondContact O-CG 3.18Å; I199-L203 PolarHBondContact O-N 3.18Å; I199-I317 HydrophobicContact CB-CG2 3.72Å; I199-I317 HydrophobicContact CD1-CG2 4.45Å; I199-F318 HydrophobicContact CB-CZ 4.38Å; I199-F318 HydrophobicContact CD1-CE2 3.99Å; I199-F318 HydrophobicContact CD1-CZ 3.75Å; I199-F318 HydrophobicContact CG1-CZ 3.93Å
200	M	94.3	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-46.4	177.1	-67.9	-52.5	-51.3	0	0	110.9	F90 V91 F121 L123 I196 L202 L203 Q204	F90-M200 HydrophobicContact CD1-CE 3.54Å; F90-M200 HydrophobicContact CE1-CE 4.03Å; V91-M200 HydrophobicContact CB-CE 4.22Å; V91-M200 HydrophobicContact CB-SD 4.09Å; V91-M200 HydrophobicContact CG2-CE 3.48Å; V91-M200 VanDerWaalsContact CG2-CE 3.48Å; V91-M200 HydrophobicContact CG2-SD 3.67Å; F121-M200 HydrophobicContact CB-CE 3.77Å; F121-M200 HydrophobicContact CB-CG 3.87Å; F121-M200 HydrophobicContact CB-SD 4.2Å; F121-M200 HydrophobicContact CD1-CB 3.97Å; F121-M200 HydrophobicContact CD1-CG 4.13Å; F121-M200 HydrophobicContact CD2-CG 4.14Å; F121-M200 HydrophobicContact CE1-CB 4.37Å; F121-M200 HydrophobicContact CG-CB 4.16Å; F121-M200 HydrophobicContact CG-CG 3.79Å; F121-M200 VanDerWaalsContact O-CE 3.26Å; F121-M200 WeakPolarHBondContact O-CE 3Å; L123-M200 HydrophobicContact CB-SD 4.29Å; L123-M200 HydrophobicContact CD1-SD 4.34Å; I196-M200 VanDerWaalsContact O-CB 3.27Å; I196-M200 WeakPolarHBondContact O-CB 3.24Å; I196-M200 WeakPolarHBondContact O-CG 3.25Å; I196-M200 PolarHBondContact O-N 3.33Å; M200-L202 VanDerWaalsContact C-N 3.34Å; M200-L202 PolarHBondContact O-N 2.8Å; M200-L203 PolarHBondContact O-N 2.7Å; M200-Q204 WeakPolarHBondContact O-CB 3.47Å; M200-Q204 VanDerWaalsContact O-CG 3.23Å; M200-Q204 WeakPolarHBondContact O-CG 3.06Å; M200-Q204 PolarHBondContact O-N 3.45Å
201	R	92.3	Very high	93.9	Very high	180 Å²	180	49.3 Å²	49.3	68%	0.679	24%	0.243	S	C	*	.	H	α-helix	trans	-60.2	-42.1	175.9	178.7	176.3	136.1	167.7	-3.7	112.3	F197 G198 I199 K205	F197-R201 WeakPolarHBondContact O-CB 3.48Å; F197-R201 PolarHBondContact O-N 2.92Å; F197-R201 VanDerWaalsContact O-N 3.17Å; G198-R201 PolarHBondContact O-N 3Å; I199-R201 PolarHBondContact O-N 3.26Å; R201-K205 WeakPolarHBondContact O-CB 3.21Å; R201-K205 PolarHBondContact O-N 3.23Å; R201-K205 VanDerWaalsContact O-N 3.07Å
202	L	94.1	Very high	93.9	Very high	34 Å²	34	52 Å²	52	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-53.3	176.3	-178	153.9	0	0	0	110.6	G198 I199 M200 Q204 K205 E206 Y217 I297 I300	G198-L202 PolarHBondContact O-N 2.85Å; I199-L202 HydrophobicContact CD1-CD2 4.46Å; I199-L202 PolarHBondContact O-N 3.28Å; M200-L202 VanDerWaalsContact C-N 3.34Å; M200-L202 PolarHBondContact O-N 2.8Å; L202-Q204 PolarHBondContact O-N 2.83Å; L202-K205 PolarHBondContact O-N 3.46Å; L202-E206 HydrophobicContact CD2-CG 4.09Å; L202-E206 WeakPolarHBondContact O-CB 3.35Å; L202-E206 VanDerWaalsContact O-CG 3.28Å; L202-E206 WeakPolarHBondContact O-CG 3.31Å; L202-E206 PolarHBondContact O-N 2.95Å; L202-Y217 HydrophobicContact CD2-CD1 4.02Å; L202-Y217 HydrophobicContact CD2-CE1 4.39Å; L202-Y217 HydrophobicContact CD2-CG 4.27Å; L202-I297 HydrophobicContact CD1-CG2 4.26Å; L202-I300 HydrophobicContact CD1-CD1 3.48Å; L202-I300 VanDerWaalsContact CD1-CD1 3.48Å
203	L	96.4	Very high	94.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-37.7	-175.9	-64	178.6	0	0	0	112.3	F90 V91 Y184 I199 M200 E206 N207 Y217	F90-L203 HydrophobicContact CE1-CB 4.26Å; V91-L203 HydrophobicContact CG1-CD1 4.41Å; V91-L203 HydrophobicContact CG2-CD1 3.89Å; Y184-L203 HydrophobicContact CD1-CD1 4.44Å; Y184-L203 HydrophobicContact CD1-CD2 3.74Å; Y184-L203 HydrophobicContact CD1-CG 4.48Å; Y184-L203 HydrophobicContact CD2-CB 4.29Å; Y184-L203 HydrophobicContact CE1-CD2 3.91Å; Y184-L203 HydrophobicContact CE2-CB 4.44Å; Y184-L203 HydrophobicContact CG-CB 4.41Å; Y184-L203 HydrophobicContact CG-CD1 4.17Å; Y184-L203 HydrophobicContact CG-CD2 4.24Å; I199-L203 HydrophobicContact CD1-CD1 4.32Å; I199-L203 HydrophobicContact CD1-CD2 4.48Å; I199-L203 HydrophobicContact CD1-CG 4.13Å; I199-L203 HydrophobicContact CG1-CD1 3.99Å; I199-L203 HydrophobicContact CG1-CG 4.22Å; I199-L203 WeakPolarHBondContact O-CG 3.18Å; I199-L203 PolarHBondContact O-N 3.18Å; M200-L203 PolarHBondContact O-N 2.7Å; L203-E206 PolarHBondContact O-N 3.33Å; L203-N207 VanDerWaalsContact O-CB 3.22Å; L203-N207 WeakPolarHBondContact O-CB 3.38Å; L203-N207 PolarHBondContact O-N 3.14Å; L203-Y217 HydrophobicContact CD2-CD2 3.98Å; L203-Y217 HydrophobicContact CD2-CE2 4.35Å; L203-Y217 HydrophobicContact CD2-CG 4.48Å
204	Q	95.6	Very high	94.5	Very high	87 Å²	87	56.8 Å²	56.8	41%	0.407	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-45.2	174.3	-74.3	171.6	-20	0	0	111.8	F90 M200 L202 E206 N207 A208	F90-Q204 HydrophobicContact CD1-CG 4.25Å; F90-Q204 HydrophobicContact CE1-CG 3.58Å; F90-Q204 HydrophobicContact CZ-CG 4.05Å; M200-Q204 WeakPolarHBondContact O-CB 3.47Å; M200-Q204 VanDerWaalsContact O-CG 3.23Å; M200-Q204 WeakPolarHBondContact O-CG 3.06Å; M200-Q204 PolarHBondContact O-N 3.45Å; L202-Q204 PolarHBondContact O-N 2.83Å; Q204-E206 PolarHBondContact O-N 2.83Å; Q204-N207 PolarHBondContact O-N 3.35Å; Q204-A208 PolarHBondContact O-N 3.25Å
205	K	95.6	Very high	94.8	Very high	150 Å²	150	56.9 Å²	56.9	65%	0.652	29%	0.287	S	S	*	.	H	α-helix	trans	-61	-45.5	176.4	-179.4	-178.9	177.2	-178.5	0	111.6	R201 L202 A208 R209	R201-K205 WeakPolarHBondContact O-CB 3.21Å; R201-K205 PolarHBondContact O-N 3.23Å; R201-K205 VanDerWaalsContact O-N 3.07Å; L202-K205 PolarHBondContact O-N 3.46Å; K205-A208 PolarHBondContact O-N 2.96Å; K205-R209 PolarHBondContact O-N 2.96Å; K205-R209 VanDerWaalsContact O-N 3.11Å
206	E	96.3	Very high	95.1	Very high	43 Å²	43	56.2 Å²	56.2	20%	0.201	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-38.5	179.1	-70	-62.4	124.7	0	0	112.1	L202 L203 Q204 R209 N210 Y217	L202-E206 HydrophobicContact CD2-CG 4.09Å; L202-E206 WeakPolarHBondContact O-CB 3.35Å; L202-E206 VanDerWaalsContact O-CG 3.28Å; L202-E206 WeakPolarHBondContact O-CG 3.31Å; L202-E206 PolarHBondContact O-N 2.95Å; L203-E206 PolarHBondContact O-N 3.33Å; Q204-E206 PolarHBondContact O-N 2.83Å; E206-R209 PolarHBondContact O-N 3.05Å; E206-N210 PolarHBondContact O-N 2.88Å; E206-Y217 HydrophobicContact CB-CE1 4.31Å; E206-Y217 VanDerWaalsContact CB-OH 3.31Å; E206-Y217 WeakPolarHBondContact CB-OH 3.06Å; E206-Y217 HydrophobicContact CG-CE1 3.64Å; E206-Y217 WeakPolarHBondContact CG-OH 3.42Å; E206-Y217 PolarHBondContact OE2-OH 2.72Å
207	N	96.8	Very high	95.4	Very high	42 Å²	42	56.4 Å²	56.4	23%	0.225	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-42.3	175.5	-168.9	67.5	0	0	0	112.3	F90 Y184 L203 Q204 R209 P211	F90-N207 HydrophobicContact CE2-CB 4.14Å; F90-N207 HydrophobicContact CZ-CB 3.95Å; Y184-N207 HydrophobicContact CE2-CB 3.75Å; Y184-N207 VanDerWaalsContact OH-CA 3.3Å; Y184-N207 WeakPolarHBondContact OH-CA 3.41Å; Y184-N207 WeakPolarHBondContact OH-CB 3.45Å; Y184-N207 PolarHBondContact OH-N 2.97Å; L203-N207 VanDerWaalsContact O-CB 3.22Å; L203-N207 WeakPolarHBondContact O-CB 3.38Å; L203-N207 PolarHBondContact O-N 3.14Å; Q204-N207 PolarHBondContact O-N 3.35Å; N207-R209 VanDerWaalsContact C-N 3.25Å; N207-R209 PolarHBondContact O-N 3.32Å; N207-P211 WeakPolarHBondContact O-CB 3.5Å; N207-P211 VanDerWaalsContact O-CD 3.23Å; N207-P211 WeakPolarHBondContact O-CD 3.47Å
208	A	97.1	Very high	95.7	Very high	88 Å²	88	55.5 Å²	55.5	73%	0.727	28%	0.28	S	S	*	.	H	α-helix	trans	-64.8	-32.3	175.8	0	0	0	0	0	111.9	Q204 K205	Q204-A208 PolarHBondContact O-N 3.25Å; K205-A208 PolarHBondContact O-N 2.96Å
209	R	96.9	Very high	96	Very high	200 Å²	200	54.6 Å²	54.6	76%	0.755	27%	0.271	S	S	*	.	H	α-helix	trans	-76.4	-48.1	-179.8	-176	-177.7	179.2	177.7	1.9	113	K205 E206 N207	K205-R209 PolarHBondContact O-N 2.96Å; K205-R209 VanDerWaalsContact O-N 3.11Å; E206-R209 PolarHBondContact O-N 3.05Å; N207-R209 VanDerWaalsContact C-N 3.25Å; N207-R209 PolarHBondContact O-N 3.32Å
210	N	95.8	Very high	96.2	Very high	77 Å²	77	55.1 Å²	55.1	41%	0.412	27%	0.274	S	S	.	.			trans	-153.2	84.8	-178.5	-173.2	-3.3	0	0	0	110.9	E206 S212 V213	E206-N210 PolarHBondContact O-N 2.88Å; N210-S212 PolarHBondContact O-N 2.84Å; N210-S212 PolarHBondContact OD1-N 2.67Å; N210-V213 HydrophobicContact CB-CB 4.45Å; N210-V213 VanDerWaalsContact O-CG1 3.31Å; N210-V213 WeakPolarHBondContact O-CG1 3.4Å; N210-V213 PolarHBondContact O-N 3.43Å; N210-V213 PolarHBondContact OD1-N 3.34Å
211	P	93.1	Very high	96.4	Very high	58 Å²	58	58.1 Å²	58.1	38%	0.377	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.5	-177.5	26.2	-32.8	0	0	0	112.1	N207 V213 R260	N207-P211 WeakPolarHBondContact O-CB 3.5Å; N207-P211 VanDerWaalsContact O-CD 3.23Å; N207-P211 WeakPolarHBondContact O-CD 3.47Å; P211-V213 VanDerWaalsContact C-N 3.33Å; P211-V213 PolarHBondContact O-N 3.05Å; P211-R260 VanDerWaalsContact C-NH1 3.26Å; P211-R260 PolarHBondContact O-NH1 2.87Å
212	S	94.6	Very high	96.6	Very high	80 Å²	80	52.9 Å²	52.9	56%	0.559	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-4	-173.9	-61.2	0	0	0	0	114.4	N210	N210-S212 PolarHBondContact O-N 2.84Å; N210-S212 PolarHBondContact OD1-N 2.67Å
213	V	97	Very high	96.7	Very high	29 Å²	29	59.9 Å²	59.9	18%	0.176	30%	0.302	C	S	.	.			trans	-65.3	145.8	-178.6	74.1	0	0	0	0	111.4	N210 P211 T215 T258	N210-V213 HydrophobicContact CB-CB 4.45Å; N210-V213 VanDerWaalsContact O-CG1 3.31Å; N210-V213 WeakPolarHBondContact O-CG1 3.4Å; N210-V213 PolarHBondContact O-N 3.43Å; N210-V213 PolarHBondContact OD1-N 3.34Å; P211-V213 VanDerWaalsContact C-N 3.33Å; P211-V213 PolarHBondContact O-N 3.05Å; V213-T215 HydrophobicContact CG1-CG2 3.84Å; V213-T215 HydrophobicContact CG2-CG2 4.3Å; V213-T258 HydrophobicContact CG1-CG2 3.98Å; V213-T258 WeakPolarHBondContact O-CB 3.33Å; V213-T258 WeakPolarHBondContact O-CG2 3.29Å; V213-T258 PolarHBondContact O-OG1 3.1Å
214	K	98.2	Very high	96.7	Very high	72 Å²	72	63.4 Å²	63.4	31%	0.313	32%	0.32	S	S	.	.			trans	-105.1	101.9	165.3	-66.1	-177.6	-69.1	167	0	108.1	T258 R260 A261 P264 A290 V292 H293	K214-T258 WeakPolarHBondContact CA-OG1 3.25Å; K214-R260 HydrophobicContact CG-CB 4.31Å; K214-A261 HydrophobicContact CB-CB 4.26Å; K214-P264 HydrophobicContact CD-CG 4.02Å; K214-A290 PolarHBondContact NZ-O 3.48Å; K214-V292 HydrophobicContact CB-CG1 4.43Å; K214-V292 HydrophobicContact CB-CG2 4.37Å; K214-H293 PolarHBondContact O-N 2.82Å
215	T	98.5	Very high	96.8	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.6	-176.6	-161.5	0	0	0	0	113	V213 Y217 L257 T258 H293 T295	V213-T215 HydrophobicContact CG1-CG2 3.84Å; V213-T215 HydrophobicContact CG2-CG2 4.3Å; T215-Y217 HydrophobicContact CG2-CD2 3.9Å; T215-Y217 HydrophobicContact CG2-CE1 4.36Å; T215-Y217 HydrophobicContact CG2-CE2 3.2Å; T215-Y217 VanDerWaalsContact CG2-CZ 3.48Å; T215-L257 WeakPolarHBondContact O-CA 3.25Å; T215-T258 HydrophobicContact CG2-CG2 4.18Å; T215-T258 PolarHBondContact N-OG1 2.78Å; T215-T258 VanDerWaalsContact N-OG1 3.17Å; T215-T258 PolarHBondContact O-N 3.4Å; T215-T258 VanDerWaalsContact O-N 3.15Å; T215-T258 PolarHBondContact O-OG1 2.74Å; T215-H293 CarbonylContact C-O 3.47Å; T215-H293 VanDerWaalsContact CA-O 3.3Å; T215-H293 WeakPolarHBondContact CA-O 3.37Å; T215-H293 PolarHBondContact OG1-O 2.74Å; T215-T295 PolarHBondContact OG1-OG1 3.23Å; T215-T295 VanDerWaalsContact OG1-OG1 3.09Å
216	F	98.7	Very high	96.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142.3	160.3	-70.8	-89.6	0	0	0	110.3	Y255 S256 L257 L265 I282 T283 A287 V292 H293 L294 T295	F216-Y255 AromaticContact CD1-CD2 3.84Å; F216-Y255 HydrophobicContact CD1-CD2 3.84Å; F216-Y255 HydrophobicContact CD1-CE2 4.36Å; F216-Y255 HydrophobicContact CD1-CG 4.39Å; F216-Y255 AromaticContact CE1-CD2 3.91Å; F216-Y255 HydrophobicContact CE1-CD2 3.91Å; F216-Y255 AromaticContact CE1-CE2 3.95Å; F216-Y255 HydrophobicContact CE1-CE2 3.95Å; F216-S256 CarbonylContact C-O 3.58Å; F216-S256 VanDerWaalsContact CA-O 3.24Å; F216-S256 WeakPolarHBondContact CA-O 3.42Å; F216-L257 HydrophobicContact CD1-CB 3.64Å; F216-L257 HydrophobicContact CE1-CB 3.7Å; F216-L257 HydrophobicContact CE1-CD1 3.87Å; F216-L257 HydrophobicContact CE1-CD2 4.3Å; F216-L257 HydrophobicContact CE1-CG 4.18Å; F216-L257 HydrophobicContact CG-CB 4.28Å; F216-L257 HydrophobicContact CZ-CB 4.4Å; F216-L257 HydrophobicContact CZ-CD1 4.14Å; F216-L265 HydrophobicContact CE2-CD1 4.05Å; F216-L265 HydrophobicContact CE2-CD2 4.25Å; F216-L265 HydrophobicContact CZ-CD1 3.6Å; F216-L265 HydrophobicContact CZ-CD2 4.33Å; F216-I282 HydrophobicContact CZ-CG2 4.37Å; F216-T283 HydrophobicContact CD1-CG2 4Å; F216-T283 HydrophobicContact CE1-CG2 3.64Å; F216-T283 HydrophobicContact CZ-CG2 3.94Å; F216-A287 HydrophobicContact CD2-CB 4.44Å; F216-A287 HydrophobicContact CE2-CB 3.95Å; F216-V292 HydrophobicContact CD2-CB 4.48Å; F216-V292 HydrophobicContact CD2-CG1 3.56Å; F216-V292 HydrophobicContact CE2-CB 4.3Å; F216-V292 HydrophobicContact CE2-CG1 3.65Å; F216-H293 PolarHBondContact N-O 2.88Å; F216-L294 HydrophobicContact CB-CD2 3.77Å; F216-L294 HydrophobicContact CD2-CD2 3.66Å; F216-L294 HydrophobicContact CG-CD2 4.02Å; F216-T295 WeakPolarHBondContact O-CB 3.17Å; F216-T295 PolarHBondContact O-N 2.7Å
217	Y	97.9	Very high	96.9	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.02	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.6	165.6	-62.2	-90.6	0	0	0	108.2	Y184 L202 L203 E206 T215 Y255 S256 T295 I297	Y184-Y217 AromaticContact CE1-CE2 4Å; Y184-Y217 HydrophobicContact CE1-CE2 4Å; L202-Y217 HydrophobicContact CD2-CD1 4.02Å; L202-Y217 HydrophobicContact CD2-CE1 4.39Å; L202-Y217 HydrophobicContact CD2-CG 4.27Å; L203-Y217 HydrophobicContact CD2-CD2 3.98Å; L203-Y217 HydrophobicContact CD2-CE2 4.35Å; L203-Y217 HydrophobicContact CD2-CG 4.48Å; E206-Y217 HydrophobicContact CB-CE1 4.31Å; E206-Y217 VanDerWaalsContact CB-OH 3.31Å; E206-Y217 WeakPolarHBondContact CB-OH 3.06Å; E206-Y217 HydrophobicContact CG-CE1 3.64Å; E206-Y217 WeakPolarHBondContact CG-OH 3.42Å; E206-Y217 PolarHBondContact OE2-OH 2.72Å; T215-Y217 HydrophobicContact CG2-CD2 3.9Å; T215-Y217 HydrophobicContact CG2-CE1 4.36Å; T215-Y217 HydrophobicContact CG2-CE2 3.2Å; T215-Y217 VanDerWaalsContact CG2-CZ 3.48Å; Y217-Y255 WeakPolarHBondContact O-CA 3.29Å; Y217-S256 PolarHBondContact N-O 3.49Å; Y217-S256 PolarHBondContact O-N 3Å; Y217-T295 HydrophobicContact CD1-CG2 3.7Å; Y217-T295 HydrophobicContact CE1-CG2 3.77Å; Y217-I297 HydrophobicContact CD1-CG2 4.21Å
218	C	97.5	Very high	96.9	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.007	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	173.6	-174.5	65.6	0	0	0	0	112.9	V220 C250 T295 D296 I297	C218-V220 PolarHBondContact O-N 3.3Å; C218-C250 HydrophobicContact CB-CB 3.37Å; C218-C250 WeakPolarHBondContact CB-SG 3.33Å; C218-C250 WeakPolarHBondContact SG-CA 3.45Å; C218-C250 WeakPolarHBondContact SG-CB 3.43Å; C218-C250 CovalentContact SG-SG 2.02Å; C218-C250 PolarHBondContact SG-SG 3.33Å; C218-T295 PolarHBondContact N-O 3.21Å; C218-T295 VanDerWaalsContact N-O 3.17Å; C218-D296 WeakPolarHBondContact O-CA 3.34Å; C218-I297 VanDerWaalsContact C-CG1 3.49Å; C218-I297 WeakPolarHBondContact O-CG1 3.28Å; C218-I297 PolarHBondContact O-N 2.92Å
219	T	96.4	Very high	96.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117	160.1	-65.6	0	0	0	0	108.8	C250 S251 R298 Y301 F303	T219-C250 CarbonylContact O-C 3.56Å; T219-C250 WeakPolarHBondContact O-CA 3.47Å; T219-S251 PolarHBondContact O-N 3Å; T219-R298 HydrophobicContact CG2-CB 4.12Å; T219-R298 HydrophobicContact CG2-CG 4.01Å; T219-Y301 VanDerWaalsContact OG1-CB 3.29Å; T219-Y301 WeakPolarHBondContact OG1-CB 3.45Å; T219-Y301 VanDerWaalsContact OG1-CD2 3.26Å; T219-Y301 WeakPolarHBondContact OG1-CD2 3.46Å; T219-Y301 VanDerWaalsContact OG1-CG 3.26Å; T219-F303 HydrophobicContact CG2-CE2 3.85Å; T219-F303 HydrophobicContact CG2-CZ 3.76Å
220	V	97.8	Very high	96.8	Very high	10 Å²	10	60.8 Å²	60.8	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	119	-178.6	179.2	0	0	0	0	110.8	C218 T222 K248 Y249 L294 D296 R298	C218-V220 PolarHBondContact O-N 3.3Å; V220-T222 HydrophobicContact CG1-CG2 4.2Å; V220-K248 HydrophobicContact CG1-CB 4.15Å; V220-Y249 CarbonylContact C-O 3.47Å; V220-Y249 WeakPolarHBondContact CA-O 3.41Å; V220-L294 HydrophobicContact CG1-CD1 4.24Å; V220-L294 HydrophobicContact CG2-CB 3.9Å; V220-D296 HydrophobicContact CB-CB 4.11Å; V220-D296 HydrophobicContact CG2-CB 3.8Å; V220-D296 PolarHBondContact N-OD1 3.27Å; V220-D296 VanDerWaalsContact N-OD1 3.16Å; V220-R298 PolarHBondContact O-NH2 3.23Å
221	W	97.2	Very high	96.7	Very high	63 Å²	63	64.7 Å²	64.7	24%	0.239	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.1	167.6	-64	127.3	0	0	0	111.3	M224 K248 Y249 S251 F303	W221-M224 HydrophobicContact CB-CG 3.68Å; W221-M224 HydrophobicContact CE3-SD 4.47Å; W221-M224 HydrophobicContact CG-CG 4.26Å; W221-K248 WeakPolarHBondContact O-CA 3.41Å; W221-Y249 HydrophobicContact CB-CD1 3.92Å; W221-Y249 HydrophobicContact CB-CE1 3.57Å; W221-Y249 HydrophobicContact CB-CE2 4.43Å; W221-Y249 HydrophobicContact CB-CG 4.49Å; W221-Y249 AromaticContact CD1-CE2 3.56Å; W221-Y249 AromaticContact CD1-CZ 3.61Å; W221-Y249 HydrophobicContact CG-CE1 4.24Å; W221-Y249 HydrophobicContact CG-CE2 4.35Å; W221-Y249 PolarHBondContact N-O 3.43Å; W221-Y249 PolarHBondContact O-N 2.93Å; W221-S251 VanDerWaalsContact NE1-CA 3.27Å; W221-F303 HydrophobicContact CH2-CE1 4.41Å; W221-F303 HydrophobicContact CH2-CE2 4Å; W221-F303 AromaticContact CH2-CZ 3.92Å; W221-F303 HydrophobicContact CH2-CZ 3.92Å; W221-F303 AromaticContact CZ2-CE1 3.95Å; W221-F303 HydrophobicContact CZ2-CE1 3.95Å; W221-F303 HydrophobicContact CZ2-CE2 4.26Å; W221-F303 AromaticContact CZ2-CZ 3.69Å; W221-F303 HydrophobicContact CZ2-CZ 3.69Å
222	T	97	Very high	96.8	Very high	70 Å²	70	63.3 Å²	63.3	43%	0.429	31%	0.305	S	S	.	.			trans	-133.4	145.8	176.4	70	0	0	0	0	109.5	V220 M224 K248	V220-T222 HydrophobicContact CG1-CG2 4.2Å; T222-M224 PolarHBondContact O-N 2.93Å; T222-M224 VanDerWaalsContact O-N 3.14Å; T222-K248 HydrophobicContact CG2-CD 4.23Å; T222-K248 HydrophobicContact CG2-CG 4.11Å
223	K	96.2	Very high	96.7	Very high	181 Å²	181	63.6 Å²	63.6	79%	0.787	30%	0.297	S	S	*	.	S	Bend	trans	59.1	22.1	176.6	-55	-177.8	-178.5	179.2	0	115.3	V245	K223-V245 VanDerWaalsContact CA-CG1 3.46Å; K223-V245 HydrophobicContact CB-CG1 4.45Å
224	M	97.3	Very high	96.6	Very high	74 Å²	74	66.7 Å²	66.7	37%	0.365	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-70.4	139.7	176	-59.2	-58.2	-71.3	0	0	110.7	W221 T222 V245 Y246 Y249	W221-M224 HydrophobicContact CB-CG 3.68Å; W221-M224 HydrophobicContact CE3-SD 4.47Å; W221-M224 HydrophobicContact CG-CG 4.26Å; T222-M224 PolarHBondContact O-N 2.93Å; T222-M224 VanDerWaalsContact O-N 3.14Å; M224-V245 CarbonylContact O-C 3.22Å; M224-V245 WeakPolarHBondContact O-CA 3.13Å; M224-V245 VanDerWaalsContact O-CG1 3.25Å; M224-V245 WeakPolarHBondContact O-CG1 3.43Å; M224-Y246 HydrophobicContact CB-CD2 4.24Å; M224-Y246 PolarHBondContact O-N 3.47Å; M224-Y249 HydrophobicContact CB-CE1 3.84Å; M224-Y249 HydrophobicContact CG-CE1 3.75Å
225	K	97.4	Very high	96.5	Very high	161 Å²	161	66 Å²	66	70%	0.7	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-98.7	143.4	176.6	-60.3	-177	-177	174.7	0	109.6	E227	K225-E227 PolarHBondContact O-N 3.01Å
226	P	97.1	Very high	96.3	Very high	7 Å²	7	65.9 Å²	65.9	5%	0.045	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-57.3	137.3	167	-18.1	28.9	0	0	0	110.4	R228 V236 F241 R244 Y246	P226-R228 PolarHBondContact O-N 3.29Å; P226-V236 HydrophobicContact CB-CB 4.19Å; P226-V236 HydrophobicContact CB-CG1 4.49Å; P226-F241 HydrophobicContact CG-CD1 3.48Å; P226-F241 VanDerWaalsContact CG-CD1 3.48Å; P226-F241 HydrophobicContact CG-CE1 3.89Å; P226-F241 HydrophobicContact CG-CG 4.43Å; P226-R244 WeakPolarHBondContact CD-O 3.42Å; P226-Y246 HydrophobicContact CB-CE1 4.13Å; P226-Y246 HydrophobicContact CB-CE2 4.05Å; P226-Y246 WeakPolarHBondContact CB-OH 2.99Å; P226-Y246 HydrophobicContact CG-CD1 4.21Å; P226-Y246 HydrophobicContact CG-CD2 4.47Å; P226-Y246 HydrophobicContact CG-CE1 3.74Å; P226-Y246 HydrophobicContact CG-CE2 4.05Å
227	E	97.2	Very high	96.2	Very high	86 Å²	86	66.9 Å²	66.9	40%	0.402	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-70.5	125.2	174.7	176.2	56.3	-93.3	0	0	109.5	K225 N229 S232 W234 V236	K225-E227 PolarHBondContact O-N 3.01Å; E227-N229 WeakPolarHBondContact OE1-CB 3.32Å; E227-N229 PolarHBondContact OE1-N 3.17Å; E227-S232 VanDerWaalsContact CG-CB 3.41Å; E227-S232 WeakPolarHBondContact CG-OG 3.38Å; E227-W234 HydrophobicContact CB-CB 4.17Å; E227-W234 WeakPolarHBondContact CB-O 3.47Å; E227-W234 HydrophobicContact CG-CB 4.4Å; E227-V236 PolarHBondContact O-N 3.47Å
228	R	96.6	Very high	96	Very high	57 Å²	57	73.8 Å²	73.8	22%	0.215	33%	0.334	C	S	.	.			trans	-111.1	-5.2	-174.2	-57.3	-52.8	-170.2	179.8	3.4	113	P226 K230 Y235 V236 S237 F241 Q243	P226-R228 PolarHBondContact O-N 3.29Å; R228-K230 PolarHBondContact O-N 2.82Å; R228-Y235 VanDerWaalsContact O-CE2 3.27Å; R228-Y235 WeakPolarHBondContact O-CE2 3.42Å; R228-V236 VanDerWaalsContact CD-O 3.25Å; R228-V236 WeakPolarHBondContact CD-O 3.35Å; R228-V236 PolarHBondContact NH1-O 3.48Å; R228-S237 PolarHBondContact NH1-O 2.92Å; R228-F241 PolarHBondContact NH1-O 2.64Å; R228-F241 PolarHBondContact NH2-O 2.7Å; R228-Q243 PolarHBondContact NH2-O 3.15Å
229	N	96.3	Very high	95.9	Very high	78 Å²	78	78.3 Å²	78.3	42%	0.417	36%	0.358	S	S	.	.			trans	-70.5	117	168.9	-176.8	-2.3	0	0	0	109.7	E227 E231 S232 Y235	E227-N229 WeakPolarHBondContact OE1-CB 3.32Å; E227-N229 PolarHBondContact OE1-N 3.17Å; N229-E231 PolarHBondContact O-N 3.16Å; N229-E231 WeakPolarHBondContact OD1-CB 3.34Å; N229-E231 PolarHBondContact OD1-N 2.83Å; N229-S232 WeakPolarHBondContact O-CB 3.44Å; N229-S232 PolarHBondContact O-N 2.98Å; N229-Y235 WeakPolarHBondContact O-CB 3.26Å; N229-Y235 WeakPolarHBondContact O-CD2 3.3Å
230	K	95	Very high	95.7	Very high	167 Å²	167	80.6 Å²	80.6	73%	0.726	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.5	179.2	-71	-177.2	178	-178.3	0	113.7	R228 S232 Y235	R228-K230 PolarHBondContact O-N 2.82Å; K230-S232 VanDerWaalsContact C-N 3.32Å; K230-Y235 HydrophobicContact CG-CD1 4.49Å; K230-Y235 HydrophobicContact CG-CD2 4.2Å; K230-Y235 HydrophobicContact CG-CE1 4.05Å; K230-Y235 HydrophobicContact CG-CE2 3.72Å
231	E	94.7	Very high	95.6	Very high	158 Å²	158	80.9 Å²	80.9	74%	0.738	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-14.8	178.2	-61.2	174.6	177.8	0	0	112.5	F34 N229	F34-E231 WeakPolarHBondContact CE1-O 3.23Å; N229-E231 PolarHBondContact O-N 3.16Å; N229-E231 WeakPolarHBondContact OD1-CB 3.34Å; N229-E231 PolarHBondContact OD1-N 2.83Å
232	S	94.5	Very high	95.5	Very high	30 Å²	30	82.3 Å²	82.3	21%	0.21	39%	0.389	C	S	.	.	S	Bend	trans	-74.6	136.5	177.9	-177.2	0	0	0	0	110.9	E227 N229 K230 W234 Y235	E227-S232 VanDerWaalsContact CG-CB 3.41Å; E227-S232 WeakPolarHBondContact CG-OG 3.38Å; N229-S232 WeakPolarHBondContact O-CB 3.44Å; N229-S232 PolarHBondContact O-N 2.98Å; K230-S232 VanDerWaalsContact C-N 3.32Å; S232-W234 PolarHBondContact O-N 3.16Å; S232-W234 PolarHBondContact OG-N 3.34Å; S232-W234 VanDerWaalsContact OG-N 3.15Å; S232-Y235 VanDerWaalsContact O-CB 3.26Å; S232-Y235 WeakPolarHBondContact O-CB 3.42Å; S232-Y235 PolarHBondContact O-N 3.18Å
233	K	92.1	Very high	95.4	Very high	86 Å²	86	84.7 Å²	84.7	37%	0.374	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.9	168.7	71.4	177	-175.6	176.5	0	112.8	W276	K233-W276 WeakPolarHBondContact O-CH2 3.44Å
234	W	94.2	Very high	95.4	Very high	94 Å²	94	86.5 Å²	86.5	36%	0.356	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	9.8	178.2	-62.1	116.5	0	0	0	114.1	Y161 L164 E227 S232 V236 W276	Y161-W234 HydrophobicContact CD1-CH2 4.24Å; L164-W234 HydrophobicContact CD1-CH2 4.38Å; E227-W234 HydrophobicContact CB-CB 4.17Å; E227-W234 WeakPolarHBondContact CB-O 3.47Å; E227-W234 HydrophobicContact CG-CB 4.4Å; S232-W234 PolarHBondContact O-N 3.16Å; S232-W234 PolarHBondContact OG-N 3.34Å; S232-W234 VanDerWaalsContact OG-N 3.15Å; W234-V236 PolarHBondContact O-N 3.15Å; W234-W276 HydrophobicContact CD2-CH2 4.42Å; W234-W276 AromaticContact CE3-CH2 3.54Å; W234-W276 HydrophobicContact CE3-CH2 3.54Å; W234-W276 HydrophobicContact CE3-CZ2 4.49Å; W234-W276 AromaticContact CE3-CZ3 3.86Å; W234-W276 HydrophobicContact CE3-CZ3 3.86Å; W234-W276 HydrophobicContact CZ3-CH2 4.08Å; W234-W276 AromaticContact CZ3-CZ3 3.9Å; W234-W276 HydrophobicContact CZ3-CZ3 3.9Å
235	Y	96.1	Very high	95.4	Very high	56 Å²	56	85.5 Å²	85.5	22%	0.22	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-54.1	128	179.6	177.4	-115.7	0	0	0	112.6	K162 R228 N229 K230 S232 W276	K162-Y235 PolarHBondContact NZ-O 3.46Å; R228-Y235 VanDerWaalsContact O-CE2 3.27Å; R228-Y235 WeakPolarHBondContact O-CE2 3.42Å; N229-Y235 WeakPolarHBondContact O-CB 3.26Å; N229-Y235 WeakPolarHBondContact O-CD2 3.3Å; K230-Y235 HydrophobicContact CG-CD1 4.49Å; K230-Y235 HydrophobicContact CG-CD2 4.2Å; K230-Y235 HydrophobicContact CG-CE1 4.05Å; K230-Y235 HydrophobicContact CG-CE2 3.72Å; S232-Y235 VanDerWaalsContact O-CB 3.26Å; S232-Y235 WeakPolarHBondContact O-CB 3.42Å; S232-Y235 PolarHBondContact O-N 3.18Å; Y235-W276 WeakPolarHBondContact O-CZ2 3.21Å; Y235-W276 PolarHBondContact O-NE1 3.06Å
236	V	95.9	Very high	95.3	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	37%	0.365	C	S	.	.			trans	-124.7	126	170.6	-179.1	0	0	0	0	108.1	P226 E227 R228 W234 E240 F241 Y246 L275 W276 V277	P226-V236 HydrophobicContact CB-CB 4.19Å; P226-V236 HydrophobicContact CB-CG1 4.49Å; E227-V236 PolarHBondContact O-N 3.47Å; R228-V236 VanDerWaalsContact CD-O 3.25Å; R228-V236 WeakPolarHBondContact CD-O 3.35Å; R228-V236 PolarHBondContact NH1-O 3.48Å; W234-V236 PolarHBondContact O-N 3.15Å; V236-E240 HydrophobicContact CG1-CB 3.87Å; V236-F241 HydrophobicContact CG1-CB 3.75Å; V236-Y246 WeakPolarHBondContact CG2-OH 3.43Å; V236-L275 HydrophobicContact CG1-CD1 3.79Å; V236-L275 HydrophobicContact CG2-CD1 4.18Å; V236-W276 HydrophobicContact CG2-CZ2 4.32Å; V236-V277 HydrophobicContact CG2-CG2 3.7Å
237	S	95.2	Very high	95.3	Very high	20 Å²	20	80.1 Å²	80.1	14%	0.14	37%	0.374	C	S	.	.			trans	-74.2	160.5	176.5	64.1	0	0	0	0	112.2	R228 D239 E240 F241	R228-S237 PolarHBondContact NH1-O 2.92Å; S237-D239 PolarHBondContact O-N 2.98Å; S237-E240 WeakPolarHBondContact CB-OE2 3.38Å; S237-E240 PolarHBondContact N-OE2 3.48Å; S237-E240 PolarHBondContact O-N 3.41Å; S237-E240 WeakPolarHBondContact OG-CB 3.17Å; S237-E240 VanDerWaalsContact OG-CG 3.24Å; S237-E240 WeakPolarHBondContact OG-CG 3.19Å; S237-E240 PolarHBondContact OG-N 3.14Å; S237-E240 PolarHBondContact OG-OE2 2.8Å; S237-F241 PolarHBondContact O-N 3.36Å; S237-F241 VanDerWaalsContact O-N 3.08Å
238	Y	95.3	Very high	95.3	Very high	150 Å²	150	82.8 Å²	82.8	59%	0.588	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.5	174.2	-77.9	-74.4	0	0	0	112.5	F241 S242	Y238-F241 CarbonylContact O-C 3.48Å; Y238-S242 WeakPolarHBondContact O-CA 3.46Å; Y238-S242 PolarHBondContact O-N 2.99Å; Y238-S242 VanDerWaalsContact O-N 3.14Å
239	D	93.7	Very high	95.4	Very high	96 Å²	96	81 Å²	81	51%	0.513	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-48	174.8	-66.9	-30.6	0	0	0	111	W63 S237 F241	W63-D239 WeakPolarHBondContact CB-O 3.31Å; W63-D239 HydrophobicContact CD2-CB 3.73Å; W63-D239 HydrophobicContact CE3-CB 3.79Å; W63-D239 HydrophobicContact CG-CB 4.37Å; W63-D239 VanDerWaalsContact CG-O 3.3Å; W63-D239 HydrophobicContact CH2-CB 3.86Å; W63-D239 HydrophobicContact CZ2-CB 3.81Å; W63-D239 HydrophobicContact CZ3-CB 3.85Å; S237-D239 PolarHBondContact O-N 2.98Å; D239-F241 VanDerWaalsContact C-N 3.33Å; D239-F241 PolarHBondContact O-N 3.25Å
240	E	93.2	Very high	95.5	Very high	49 Å²	49	77.2 Å²	77.2	23%	0.229	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-38.8	176.9	-72.2	167.1	119.3	0	0	112.4	V236 S237 W276	V236-E240 HydrophobicContact CG1-CB 3.87Å; S237-E240 WeakPolarHBondContact CB-OE2 3.38Å; S237-E240 PolarHBondContact N-OE2 3.48Å; S237-E240 PolarHBondContact O-N 3.41Å; S237-E240 WeakPolarHBondContact OG-CB 3.17Å; S237-E240 VanDerWaalsContact OG-CG 3.24Å; S237-E240 WeakPolarHBondContact OG-CG 3.19Å; S237-E240 PolarHBondContact OG-N 3.14Å; S237-E240 PolarHBondContact OG-OE2 2.8Å; E240-W276 VanDerWaalsContact OE1-CD1 3.31Å
241	F	95.2	Very high	95.5	Very high	15 Å²	15	69.5 Å²	69.5	7%	0.066	33%	0.325	C	S	.	.			trans	-149.2	105	178.1	-166.8	-93.2	0	0	0	110.9	P226 R228 V236 S237 Y238 D239 Q243 V245 Y246 L275 L285	P226-F241 HydrophobicContact CG-CD1 3.48Å; P226-F241 VanDerWaalsContact CG-CD1 3.48Å; P226-F241 HydrophobicContact CG-CE1 3.89Å; P226-F241 HydrophobicContact CG-CG 4.43Å; R228-F241 PolarHBondContact NH1-O 2.64Å; R228-F241 PolarHBondContact NH2-O 2.7Å; V236-F241 HydrophobicContact CG1-CB 3.75Å; S237-F241 PolarHBondContact O-N 3.36Å; S237-F241 VanDerWaalsContact O-N 3.08Å; Y238-F241 CarbonylContact O-C 3.48Å; D239-F241 VanDerWaalsContact C-N 3.33Å; D239-F241 PolarHBondContact O-N 3.25Å; F241-Q243 HydrophobicContact CD1-CB 4.22Å; F241-Q243 WeakPolarHBondContact CD1-O 3.28Å; F241-Q243 HydrophobicContact CE1-CB 3.55Å; F241-Q243 HydrophobicContact CE1-CG 4.41Å; F241-Q243 WeakPolarHBondContact CE1-O 3.5Å; F241-Q243 HydrophobicContact CZ-CB 3.89Å; F241-Q243 HydrophobicContact CZ-CG 4.35Å; F241-V245 WeakPolarHBondContact CE1-O 3.31Å; F241-Y246 HydrophobicContact CD1-CD1 4.12Å; F241-Y246 AromaticContact CD1-CE1 3.95Å; F241-Y246 HydrophobicContact CD1-CE1 3.95Å; F241-Y246 HydrophobicContact CD2-CD1 4.36Å; F241-Y246 HydrophobicContact CD2-CE1 4.21Å; F241-Y246 AromaticContact CE1-CD1 3.69Å; F241-Y246 HydrophobicContact CE1-CD1 3.69Å; F241-Y246 HydrophobicContact CE1-CE1 4.01Å; F241-Y246 HydrophobicContact CE2-CD1 4.01Å; F241-Y246 HydrophobicContact CE2-CE1 4.32Å; F241-Y246 HydrophobicContact CG-CD1 4.41Å; F241-Y246 HydrophobicContact CG-CE1 4.03Å; F241-Y246 AromaticContact CZ-CD1 3.65Å; F241-Y246 HydrophobicContact CZ-CD1 3.65Å; F241-Y246 HydrophobicContact CZ-CE1 4.23Å; F241-L275 HydrophobicContact CB-CD1 4.42Å; F241-L275 HydrophobicContact CD2-CD2 4.43Å; F241-L285 HydrophobicContact CE2-CD1 4.24Å; F241-L285 HydrophobicContact CE2-CD2 4.14Å
242	S	94.5	Very high	95.5	Very high	94 Å²	94	62.3 Å²	62.3	66%	0.657	29%	0.294	S	S	*	.			trans	-81.6	-20.5	-173.1	60.8	0	0	0	0	114.2	Y238	Y238-S242 WeakPolarHBondContact O-CA 3.46Å; Y238-S242 PolarHBondContact O-N 2.99Å; Y238-S242 VanDerWaalsContact O-N 3.14Å
243	Q	95	Very high	95.5	Very high	119 Å²	119	61.9 Å²	61.9	56%	0.556	29%	0.29	S	S	*	.	S	Bend	trans	-72.9	153	-178.1	-53.7	-179	19.8	0	0	111.3	R228 F241 V245	R228-Q243 PolarHBondContact NH2-O 3.15Å; F241-Q243 HydrophobicContact CD1-CB 4.22Å; F241-Q243 WeakPolarHBondContact CD1-O 3.28Å; F241-Q243 HydrophobicContact CE1-CB 3.55Å; F241-Q243 HydrophobicContact CE1-CG 4.41Å; F241-Q243 WeakPolarHBondContact CE1-O 3.5Å; F241-Q243 HydrophobicContact CZ-CB 3.89Å; F241-Q243 HydrophobicContact CZ-CG 4.35Å; Q243-V245 VanDerWaalsContact C-N 3.28Å; Q243-V245 PolarHBondContact O-N 3.03Å
244	R	96.4	Very high	95.7	Very high	220 Å²	220	57.8 Å²	57.8	83%	0.83	27%	0.273	S	S	*	.	S	Bend	trans	-72	-23.2	-178.8	-67.7	-176.3	176.9	-172.1	-1.1	113.4	P226	P226-R244 WeakPolarHBondContact CD-O 3.42Å
245	V	97.2	Very high	95.8	Very high	53 Å²	53	53.3 Å²	53.3	32%	0.321	26%	0.256	S	S	.	.	S	Bend	trans	-143.1	139	-169.3	-172.9	0	0	0	0	108.3	K223 M224 F241 Q243	K223-V245 VanDerWaalsContact CA-CG1 3.46Å; K223-V245 HydrophobicContact CB-CG1 4.45Å; M224-V245 CarbonylContact O-C 3.22Å; M224-V245 WeakPolarHBondContact O-CA 3.13Å; M224-V245 VanDerWaalsContact O-CG1 3.25Å; M224-V245 WeakPolarHBondContact O-CG1 3.43Å; F241-V245 WeakPolarHBondContact CE1-O 3.31Å; Q243-V245 VanDerWaalsContact C-N 3.28Å; Q243-V245 PolarHBondContact O-N 3.03Å
246	Y	96.7	Very high	95.9	Very high	18 Å²	18	50.7 Å²	50.7	7%	0.071	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66.9	153.6	170.2	-68.7	-53.4	0	0	0	111.5	M224 P226 V236 F241 Y249 L275 A280	M224-Y246 HydrophobicContact CB-CD2 4.24Å; M224-Y246 PolarHBondContact O-N 3.47Å; P226-Y246 HydrophobicContact CB-CE1 4.13Å; P226-Y246 HydrophobicContact CB-CE2 4.05Å; P226-Y246 WeakPolarHBondContact CB-OH 2.99Å; P226-Y246 HydrophobicContact CG-CD1 4.21Å; P226-Y246 HydrophobicContact CG-CD2 4.47Å; P226-Y246 HydrophobicContact CG-CE1 3.74Å; P226-Y246 HydrophobicContact CG-CE2 4.05Å; V236-Y246 WeakPolarHBondContact CG2-OH 3.43Å; F241-Y246 HydrophobicContact CD1-CD1 4.12Å; F241-Y246 AromaticContact CD1-CE1 3.95Å; F241-Y246 HydrophobicContact CD1-CE1 3.95Å; F241-Y246 HydrophobicContact CD2-CD1 4.36Å; F241-Y246 HydrophobicContact CD2-CE1 4.21Å; F241-Y246 AromaticContact CE1-CD1 3.69Å; F241-Y246 HydrophobicContact CE1-CD1 3.69Å; F241-Y246 HydrophobicContact CE1-CE1 4.01Å; F241-Y246 HydrophobicContact CE2-CD1 4.01Å; F241-Y246 HydrophobicContact CE2-CE1 4.32Å; F241-Y246 HydrophobicContact CG-CD1 4.41Å; F241-Y246 HydrophobicContact CG-CE1 4.03Å; F241-Y246 AromaticContact CZ-CD1 3.65Å; F241-Y246 HydrophobicContact CZ-CD1 3.65Å; F241-Y246 HydrophobicContact CZ-CE1 4.23Å; Y246-Y249 HydrophobicContact CD2-CE1 4.35Å; Y246-L275 HydrophobicContact CD1-CD2 4.27Å; Y246-L275 HydrophobicContact CE1-CD2 3.64Å; Y246-A280 HydrophobicContact CD1-CB 4.28Å; Y246-A280 HydrophobicContact CE1-CB 4.44Å; Y246-A280 HydrophobicContact CG-CB 4.38Å
247	P	96	Very high	96.1	Very high	36 Å²	36	50.7 Å²	50.7	23%	0.234	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-57.4	168.3	163.3	29.8	-37.4	0	0	0	110.4	Y249 L285	P247-Y249 WeakPolarHBondContact O-CD1 3.04Å; P247-Y249 PolarHBondContact O-N 3.5Å; P247-L285 HydrophobicContact CG-CD2 3.79Å; P247-L285 HydrophobicContact CG-CG 4.1Å
248	K	98.1	Very high	96.2	Very high	143 Å²	143	49.9 Å²	49.9	62%	0.622	24%	0.24	S	C	*	.	S	Bend	trans	-58.7	137.1	167.5	-60.2	-176.4	-177.8	175.8	0	108.7	V220 W221 T222 G284 L294	V220-K248 HydrophobicContact CG1-CB 4.15Å; W221-K248 WeakPolarHBondContact O-CA 3.41Å; T222-K248 HydrophobicContact CG2-CD 4.23Å; T222-K248 HydrophobicContact CG2-CG 4.11Å; K248-G284 WeakPolarHBondContact O-CA 3.47Å; K248-L294 HydrophobicContact CB-CD1 4.05Å
249	Y	98.4	Very high	96.4	Very high	18 Å²	18	43.7 Å²	43.7	7%	0.071	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	166	-179.4	71.7	-74	0	0	0	110	V220 W221 M224 Y246 P247 D279 A280	V220-Y249 CarbonylContact C-O 3.47Å; V220-Y249 WeakPolarHBondContact CA-O 3.41Å; W221-Y249 HydrophobicContact CB-CD1 3.92Å; W221-Y249 HydrophobicContact CB-CE1 3.57Å; W221-Y249 HydrophobicContact CB-CE2 4.43Å; W221-Y249 HydrophobicContact CB-CG 4.49Å; W221-Y249 AromaticContact CD1-CE2 3.56Å; W221-Y249 AromaticContact CD1-CZ 3.61Å; W221-Y249 HydrophobicContact CG-CE1 4.24Å; W221-Y249 HydrophobicContact CG-CE2 4.35Å; W221-Y249 PolarHBondContact N-O 3.43Å; W221-Y249 PolarHBondContact O-N 2.93Å; M224-Y249 HydrophobicContact CB-CE1 3.84Å; M224-Y249 HydrophobicContact CG-CE1 3.75Å; Y246-Y249 HydrophobicContact CD2-CE1 4.35Å; P247-Y249 WeakPolarHBondContact O-CD1 3.04Å; P247-Y249 PolarHBondContact O-N 3.5Å; Y249-D279 HydrophobicContact CD2-CB 4.13Å; Y249-D279 HydrophobicContact CE2-CB 4.35Å; Y249-D279 WeakPolarHBondContact CE2-OD2 3.49Å; Y249-A280 HydrophobicContact CD2-CB 4.09Å; Y249-A280 HydrophobicContact CE2-CB 4.24Å; Y249-A280 HydrophobicContact CG-CB 4.32Å
250	C	98	Very high	96.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	153.8	176.8	-66.6	0	0	0	0	112.2	C218 T219 G252 Y255 D279 T283	C218-C250 HydrophobicContact CB-CB 3.37Å; C218-C250 WeakPolarHBondContact CB-SG 3.33Å; C218-C250 WeakPolarHBondContact SG-CA 3.45Å; C218-C250 WeakPolarHBondContact SG-CB 3.43Å; C218-C250 CovalentContact SG-SG 2.02Å; C218-C250 PolarHBondContact SG-SG 3.33Å; T219-C250 CarbonylContact O-C 3.56Å; T219-C250 WeakPolarHBondContact O-CA 3.47Å; C250-G252 PolarHBondContact O-N 3.39Å; C250-Y255 HydrophobicContact CB-CD1 4.33Å; C250-D279 WeakPolarHBondContact O-CB 3.4Å; C250-T283 HydrophobicContact CB-CG2 3.91Å; C250-T283 WeakPolarHBondContact CB-OG1 3.49Å; C250-T283 PolarHBondContact N-OG1 3.24Å
251	S	95.7	Very high	96.8	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	131	162.7	175.9	0	0	0	0	111.4	T219 W221 S253 F303	T219-S251 PolarHBondContact O-N 3Å; W221-S251 VanDerWaalsContact NE1-CA 3.27Å; S251-S253 VanDerWaalsContact C-N 3.26Å; S251-S253 PolarHBondContact O-N 3.29Å; S251-F303 WeakPolarHBondContact OG-CE1 3.44Å
252	G	93.9	Very high	97	Very high	8 Å²	8	42.9 Å²	42.9	8%	0.082	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-26.1	177.2	0	0	0	0	0	115	K187 C250 S254 D279	K187-G252 PolarHBondContact NZ-O 3.1Å; C250-G252 PolarHBondContact O-N 3.39Å; G252-S254 VanDerWaalsContact C-N 3.33Å; G252-S254 PolarHBondContact O-N 2.82Å; G252-D279 VanDerWaalsContact CA-CB 3.46Å; G252-D279 WeakPolarHBondContact CA-OD2 3.39Å; G252-D279 PolarHBondContact N-OD2 3.03Å
253	S	93.9	Very high	97.2	Very high	20 Å²	20	46.3 Å²	46.3	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	-37.7	-174.5	-62.9	0	0	0	0	113.8	D189 M192 S251 Y301	D189-S253 PolarHBondContact N-O 2.02Å; D189-S253 WeakPolarHBondContact OD2-CA 3.26Å; M192-S253 WeakPolarHBondContact CG-O 3.4Å; S251-S253 VanDerWaalsContact C-N 3.26Å; S251-S253 PolarHBondContact O-N 3.29Å; S253-Y301 WeakPolarHBondContact CB-OH 3.47Å
254	S	96.3	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	149.3	166	55.1	0	0	0	0	112.9	K187 G252 Y301 F318	K187-S254 WeakPolarHBondContact O-CA 3.44Å; K187-S254 WeakPolarHBondContact O-CB 3.44Å; G252-S254 VanDerWaalsContact C-N 3.33Å; G252-S254 PolarHBondContact O-N 2.82Å; S254-Y301 PolarHBondContact N-OH 3Å; S254-Y301 WeakPolarHBondContact OG-CE2 3.37Å; S254-Y301 PolarHBondContact OG-OH 3.24Å; S254-F318 WeakPolarHBondContact OG-CD1 3.42Å; S254-F318 VanDerWaalsContact OG-CG 3.31Å; S254-F318 WeakPolarHBondContact OG-CG 3.43Å
255	Y	97.9	Very high	97.5	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	152.3	170.6	51.8	-99.3	0	0	0	110.4	W171 K187 F216 Y217 C250 L257 T283	W171-Y255 HydrophobicContact CH2-CE2 4.31Å; W171-Y255 HydrophobicContact CZ2-CE2 4.26Å; W171-Y255 WeakPolarHBondContact CZ2-OH 3.28Å; K187-Y255 HydrophobicContact CB-CD1 4.47Å; K187-Y255 HydrophobicContact CB-CD2 3.83Å; K187-Y255 HydrophobicContact CB-CE1 4.18Å; K187-Y255 HydrophobicContact CB-CE2 3.47Å; K187-Y255 VanDerWaalsContact CB-CE2 3.47Å; K187-Y255 HydrophobicContact CB-CG 4.33Å; K187-Y255 HydrophobicContact CD-CD1 4.3Å; K187-Y255 HydrophobicContact CD-CE1 3.73Å; K187-Y255 HydrophobicContact CG-CE1 4.08Å; K187-Y255 HydrophobicContact CG-CE2 4.03Å; K187-Y255 PolarHBondContact N-O 3.43Å; K187-Y255 PolarHBondContact O-N 3.39Å; F216-Y255 AromaticContact CD1-CD2 3.84Å; F216-Y255 HydrophobicContact CD1-CD2 3.84Å; F216-Y255 HydrophobicContact CD1-CE2 4.36Å; F216-Y255 HydrophobicContact CD1-CG 4.39Å; F216-Y255 AromaticContact CE1-CD2 3.91Å; F216-Y255 HydrophobicContact CE1-CD2 3.91Å; F216-Y255 AromaticContact CE1-CE2 3.95Å; F216-Y255 HydrophobicContact CE1-CE2 3.95Å; Y217-Y255 WeakPolarHBondContact O-CA 3.29Å; C250-Y255 HydrophobicContact CB-CD1 4.33Å; Y255-L257 HydrophobicContact CD2-CD2 4.05Å; Y255-L257 HydrophobicContact CE2-CD2 3.99Å; Y255-T283 HydrophobicContact CD1-CG2 4.19Å; Y255-T283 HydrophobicContact CE1-CG2 3.97Å; Y255-T283 HydrophobicContact CE2-CG2 4.34Å; Y255-T283 HydrophobicContact CG-CG2 4.45Å
256	S	98.5	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	150.4	165.7	-55.8	0	0	0	0	110.3	I185 L186 F216 Y217	I185-S256 CarbonylContact O-C 3.56Å; I185-S256 WeakPolarHBondContact O-CA 3.35Å; L186-S256 WeakPolarHBondContact CD1-OG 3.28Å; F216-S256 CarbonylContact C-O 3.58Å; F216-S256 VanDerWaalsContact CA-O 3.24Å; F216-S256 WeakPolarHBondContact CA-O 3.42Å; Y217-S256 PolarHBondContact N-O 3.49Å; Y217-S256 PolarHBondContact O-N 3Å
257	L	98.6	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.7	172.4	66.5	161.8	0	0	0	110.9	W171 L172 Y184 I185 T215 F216 Y255 V262 L265	W171-L257 HydrophobicContact CH2-CD2 3.99Å; W171-L257 HydrophobicContact CZ3-CD2 4.44Å; L172-L257 HydrophobicContact CD2-CD1 4.05Å; Y184-L257 CarbonylContact C-O 3.59Å; Y184-L257 VanDerWaalsContact CA-O 3.29Å; Y184-L257 WeakPolarHBondContact CA-O 3.36Å; I185-L257 HydrophobicContact CB-CD2 3.57Å; I185-L257 HydrophobicContact CB-CG 4.05Å; I185-L257 HydrophobicContact CG2-CD2 3.91Å; I185-L257 PolarHBondContact N-O 3.45Å; I185-L257 PolarHBondContact O-N 2.94Å; T215-L257 WeakPolarHBondContact O-CA 3.25Å; F216-L257 HydrophobicContact CD1-CB 3.64Å; F216-L257 HydrophobicContact CE1-CB 3.7Å; F216-L257 HydrophobicContact CE1-CD1 3.87Å; F216-L257 HydrophobicContact CE1-CD2 4.3Å; F216-L257 HydrophobicContact CE1-CG 4.18Å; F216-L257 HydrophobicContact CG-CB 4.28Å; F216-L257 HydrophobicContact CZ-CB 4.4Å; F216-L257 HydrophobicContact CZ-CD1 4.14Å; Y255-L257 HydrophobicContact CD2-CD2 4.05Å; Y255-L257 HydrophobicContact CE2-CD2 3.99Å; L257-V262 HydrophobicContact CD1-CG2 4.08Å; L257-L265 HydrophobicContact CD1-CD1 3.97Å
258	T	98.7	Very high	97.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.9	170.4	52.4	0	0	0	0	110.2	Y184 V213 K214 T215 R260 A261	Y184-T258 HydrophobicContact CD1-CG2 4.06Å; Y184-T258 HydrophobicContact CE1-CG2 3.53Å; V213-T258 HydrophobicContact CG1-CG2 3.98Å; V213-T258 WeakPolarHBondContact O-CB 3.33Å; V213-T258 WeakPolarHBondContact O-CG2 3.29Å; V213-T258 PolarHBondContact O-OG1 3.1Å; K214-T258 WeakPolarHBondContact CA-OG1 3.25Å; T215-T258 HydrophobicContact CG2-CG2 4.18Å; T215-T258 PolarHBondContact N-OG1 2.78Å; T215-T258 VanDerWaalsContact N-OG1 3.17Å; T215-T258 PolarHBondContact O-N 3.4Å; T215-T258 VanDerWaalsContact O-N 3.15Å; T215-T258 PolarHBondContact O-OG1 2.74Å; T258-R260 PolarHBondContact O-N 2.85Å; T258-R260 VanDerWaalsContact O-N 3.14Å; T258-A261 VanDerWaalsContact O-CB 3.3Å; T258-A261 WeakPolarHBondContact O-CB 3.41Å; T258-A261 PolarHBondContact O-N 3.2Å
259	M	98.4	Very high	97.7	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.103	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-56.6	-32.2	176.4	-176.6	59.9	72.8	0	0	112.3	I92 A175 C179 A182 S183 I185 A261 V262	I92-M259 HydrophobicContact CG2-CE 4.18Å; A175-M259 HydrophobicContact CB-CE 4.28Å; C179-M259 WeakPolarHBondContact O-CE 3.22Å; A182-M259 HydrophobicContact CB-CE 3.86Å; A182-M259 WeakPolarHBondContact O-CB 3.26Å; A182-M259 VanDerWaalsContact O-CG 3.27Å; A182-M259 WeakPolarHBondContact O-CG 3.24Å; S183-M259 PolarHBondContact O-N 3.35Å; I185-M259 HydrophobicContact CD1-CE 3.71Å; I185-M259 HydrophobicContact CD1-SD 4Å; I185-M259 HydrophobicContact CG1-CE 3.57Å; I185-M259 HydrophobicContact CG1-SD 4.33Å; M259-A261 PolarHBondContact O-N 2.69Å; M259-A261 VanDerWaalsContact O-N 3.09Å; M259-V262 WeakPolarHBondContact O-CB 3.35Å; M259-V262 WeakPolarHBondContact O-CG2 3.44Å; M259-V262 PolarHBondContact O-N 3.2Å; M259-V262 HydrophobicContact SD-CB 4.26Å; M259-V262 HydrophobicContact SD-CG2 3.75Å
260	R	97.9	Very high	97.6	Very high	141 Å²	141	30.8 Å²	30.8	53%	0.532	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-58	-20.9	173.4	-72.1	-176	164.2	105	2.4	114.4	P211 K214 T258 P264	P211-R260 VanDerWaalsContact C-NH1 3.26Å; P211-R260 PolarHBondContact O-NH1 2.87Å; K214-R260 HydrophobicContact CG-CB 4.31Å; T258-R260 PolarHBondContact O-N 2.85Å; T258-R260 VanDerWaalsContact O-N 3.14Å; R260-P264 WeakPolarHBondContact O-CD 3.45Å
261	A	98.6	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-81.6	-19.3	176.5	0	0	0	0	0	113.2	K214 T258 M259 P264 L265 V292	K214-A261 HydrophobicContact CB-CB 4.26Å; T258-A261 VanDerWaalsContact O-CB 3.3Å; T258-A261 WeakPolarHBondContact O-CB 3.41Å; T258-A261 PolarHBondContact O-N 3.2Å; M259-A261 PolarHBondContact O-N 2.69Å; M259-A261 VanDerWaalsContact O-N 3.09Å; A261-P264 WeakPolarHBondContact O-CD 3.35Å; A261-L265 HydrophobicContact CB-CD1 4.27Å; A261-L265 WeakPolarHBondContact O-CD1 3.39Å; A261-L265 WeakPolarHBondContact O-CG 3.25Å; A261-L265 PolarHBondContact O-N 2.8Å; A261-L265 VanDerWaalsContact O-N 3.09Å; A261-V292 HydrophobicContact CB-CG1 3.87Å; A261-V292 HydrophobicContact CB-CG2 3.96Å
262	V	98.7	Very high	97.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-51.5	-168.8	175.5	0	0	0	0	112.8	L172 I185 L257 M259 L265 L266	L172-V262 HydrophobicContact CB-CG1 4.22Å; L172-V262 HydrophobicContact CD2-CB 4.36Å; L172-V262 HydrophobicContact CD2-CG1 3.91Å; L172-V262 HydrophobicContact CD2-CG2 3.96Å; L172-V262 WeakPolarHBondContact O-CG1 3.37Å; I185-V262 HydrophobicContact CD1-CG2 3.57Å; L257-V262 HydrophobicContact CD1-CG2 4.08Å; M259-V262 WeakPolarHBondContact O-CB 3.35Å; M259-V262 WeakPolarHBondContact O-CG2 3.44Å; M259-V262 PolarHBondContact O-N 3.2Å; M259-V262 HydrophobicContact SD-CB 4.26Å; M259-V262 HydrophobicContact SD-CG2 3.75Å; V262-L265 WeakPolarHBondContact O-CB 3.15Å; V262-L265 PolarHBondContact O-N 3.29Å; V262-L266 HydrophobicContact CG1-CD1 3.9Å; V262-L266 HydrophobicContact CG1-CG 4.43Å; V262-L266 WeakPolarHBondContact O-CG 3.46Å; V262-L266 PolarHBondContact O-N 2.96Å
263	R	98.3	Very high	97.6	Very high	166 Å²	166	38.9 Å²	38.9	63%	0.626	18%	0.182	S	C	*	.	H	α-helix	trans	-60.1	-50.1	178.3	-75.9	-178.9	-175.7	165.7	0.1	112.5	L265 L266 D267	R263-L265 PolarHBondContact O-N 3.36Å; R263-L266 PolarHBondContact O-N 3.49Å; R263-L266 VanDerWaalsContact O-N 3.11Å; R263-D267 PolarHBondContact O-N 3.47Å
264	P	98.4	Very high	97.7	Very high	30 Å²	30	38.5 Å²	38.5	20%	0.195	18%	0.178	C	C	.	.	H	α-helix	trans	-53.7	-37.4	173.4	-29.5	35.2	0	0	0	114.6	K214 R260 A261 S268 A290	K214-P264 HydrophobicContact CD-CG 4.02Å; R260-P264 WeakPolarHBondContact O-CD 3.45Å; A261-P264 WeakPolarHBondContact O-CD 3.35Å; P264-S268 WeakPolarHBondContact O-CB 3.39Å; P264-S268 PolarHBondContact O-N 3.38Å; P264-S268 PolarHBondContact O-OG 3.2Å; P264-A290 HydrophobicContact CB-CB 3.87Å; P264-A290 WeakPolarHBondContact O-CB 3.15Å
265	L	98.8	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-48.6	175.7	-70	165.4	0	0	0	111.3	F216 L257 A261 V262 R263 D267 S268 V269 L286 A287 A290 V292	F216-L265 HydrophobicContact CE2-CD1 4.05Å; F216-L265 HydrophobicContact CE2-CD2 4.25Å; F216-L265 HydrophobicContact CZ-CD1 3.6Å; F216-L265 HydrophobicContact CZ-CD2 4.33Å; L257-L265 HydrophobicContact CD1-CD1 3.97Å; A261-L265 HydrophobicContact CB-CD1 4.27Å; A261-L265 WeakPolarHBondContact O-CD1 3.39Å; A261-L265 WeakPolarHBondContact O-CG 3.25Å; A261-L265 PolarHBondContact O-N 2.8Å; A261-L265 VanDerWaalsContact O-N 3.09Å; V262-L265 WeakPolarHBondContact O-CB 3.15Å; V262-L265 PolarHBondContact O-N 3.29Å; R263-L265 PolarHBondContact O-N 3.36Å; L265-D267 PolarHBondContact O-N 3.27Å; L265-S268 WeakPolarHBondContact O-CB 3.5Å; L265-S268 PolarHBondContact O-N 2.85Å; L265-S268 VanDerWaalsContact O-N 3.13Å; L265-V269 PolarHBondContact O-N 2.78Å; L265-L286 HydrophobicContact CD2-CB 3.77Å; L265-A287 HydrophobicContact CD2-CB 4.34Å; L265-A290 HydrophobicContact CD2-CB 4.21Å; L265-V292 HydrophobicContact CD2-CG2 4.24Å; L265-V292 HydrophobicContact CG-CG2 4.3Å
266	L	98.4	Very high	97.6	Very high	34 Å²	34	38.6 Å²	38.6	18%	0.178	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-44.3	177.8	-72.1	171.2	0	0	0	111.8	I169 L172 N173 V262 R263 S268 V269	I169-L266 HydrophobicContact CG2-CD2 4.13Å; L172-L266 HydrophobicContact CB-CD1 4.49Å; L172-L266 HydrophobicContact CB-CD2 3.83Å; L172-L266 HydrophobicContact CB-CG 4.22Å; N173-L266 HydrophobicContact CB-CD2 4.49Å; V262-L266 HydrophobicContact CG1-CD1 3.9Å; V262-L266 HydrophobicContact CG1-CG 4.43Å; V262-L266 WeakPolarHBondContact O-CG 3.46Å; V262-L266 PolarHBondContact O-N 2.96Å; R263-L266 PolarHBondContact O-N 3.49Å; R263-L266 VanDerWaalsContact O-N 3.11Å; L266-S268 PolarHBondContact O-N 3.07Å; L266-V269 WeakPolarHBondContact O-CB 3.49Å; L266-V269 WeakPolarHBondContact O-CG2 3.42Å; L266-V269 PolarHBondContact O-N 3.32Å; L266-V269 VanDerWaalsContact O-N 3.16Å
267	D	97.9	Very high	97.5	Very high	97 Å²	97	39 Å²	39	52%	0.519	18%	0.181	S	C	.	.	H	α-helix	trans	-62.1	-28.1	177.5	-69.5	-30.4	0	0	0	112.6	R263 L265 H271	R263-D267 PolarHBondContact O-N 3.47Å; L265-D267 PolarHBondContact O-N 3.27Å; D267-H271 PolarHBondContact O-CD2 2.75Å
268	S	98.3	Very high	97.5	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.063	18%	0.182	C	C	.	.	H	α-helix	trans	-78	-17.1	-179.7	-61.6	0	0	0	0	113.5	P264 L265 L266 K270 H271 T272	P264-S268 WeakPolarHBondContact O-CB 3.39Å; P264-S268 PolarHBondContact O-N 3.38Å; P264-S268 PolarHBondContact O-OG 3.2Å; L265-S268 WeakPolarHBondContact O-CB 3.5Å; L265-S268 PolarHBondContact O-N 2.85Å; L265-S268 VanDerWaalsContact O-N 3.13Å; L266-S268 PolarHBondContact O-N 3.07Å; S268-K270 PolarHBondContact O-N 3.04Å; S268-H271 PolarHBondContact O-N 2.72Å; S268-T272 WeakPolarHBondContact O-CB 3.35Å; S268-T272 PolarHBondContact O-N 2.72Å; S268-T272 VanDerWaalsContact O-N 3.14Å; S268-T272 PolarHBondContact O-OG1 3.39Å
269	V	98	Very high	97.4	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-58.2	-49.6	-176.3	176.3	0	0	0	0	111.4	V58 L60 I169 L265 L266 H271 T272 Y281 L286	V58-V269 HydrophobicContact CG1-CG1 4.37Å; L60-V269 HydrophobicContact CD2-CG1 3.89Å; I169-V269 HydrophobicContact CD1-CG1 3.96Å; I169-V269 HydrophobicContact CD1-CG2 4.27Å; I169-V269 HydrophobicContact CG1-CG2 4.26Å; L265-V269 PolarHBondContact O-N 2.78Å; L266-V269 WeakPolarHBondContact O-CB 3.49Å; L266-V269 WeakPolarHBondContact O-CG2 3.42Å; L266-V269 PolarHBondContact O-N 3.32Å; L266-V269 VanDerWaalsContact O-N 3.16Å; V269-H271 PolarHBondContact O-N 3.14Å; V269-H271 VanDerWaalsContact O-N 3.1Å; V269-T272 PolarHBondContact O-N 3.37Å; V269-Y281 PolarHBondContact O-OH 2.82Å; V269-L286 HydrophobicContact CG2-CD1 3.76Å; V269-L286 HydrophobicContact CG2-CD2 4.26Å
270	K	95.7	Very high	97.4	Very high	104 Å²	104	39.1 Å²	39.1	45%	0.452	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17	-177.9	69.5	-171.6	178.2	-170.4	0	114.1	T59 S268	T59-K270 HydrophobicContact CG2-CB 4.15Å; T59-K270 WeakPolarHBondContact O-CA 3.49Å; S268-K270 PolarHBondContact O-N 3.04Å
271	H	95.3	Very high	97.4	Very high	115 Å²	115	32.4 Å²	32.4	53%	0.532	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-16.3	-178.2	-61.5	-59.1	0	0	0	113.3	K61 D267 S268 V269	K61-H271 WeakPolarHBondContact CD-O 3.34Å; K61-H271 PolarHBondContact NZ-O 2.78Å; K61-H271 VanDerWaalsContact NZ-O 3.08Å; D267-H271 PolarHBondContact O-CD2 2.75Å; S268-H271 PolarHBondContact O-N 2.72Å; V269-H271 PolarHBondContact O-N 3.14Å; V269-H271 VanDerWaalsContact O-N 3.1Å
272	T	96.8	Very high	97.4	Very high	12 Å²	12	32.4 Å²	32.4	7%	0.074	16%	0.157	C	C	.	.	S	Bend	trans	-106.2	127.2	-171.9	-53.4	0	0	0	0	110.6	S268 V269 F274 Y281 L285 L286	S268-T272 WeakPolarHBondContact O-CB 3.35Å; S268-T272 PolarHBondContact O-N 2.72Å; S268-T272 VanDerWaalsContact O-N 3.14Å; S268-T272 PolarHBondContact O-OG1 3.39Å; V269-T272 PolarHBondContact O-N 3.37Å; T272-F274 PolarHBondContact O-N 3.37Å; T272-F274 VanDerWaalsContact O-N 3.14Å; T272-Y281 HydrophobicContact CG2-CE2 3.83Å; T272-Y281 PolarHBondContact O-OH 3.07Å; T272-L285 HydrophobicContact CG2-CB 3.68Å; T272-L286 HydrophobicContact CG2-CD2 3.97Å
273	T	96	Very high	97.4	Very high	56 Å²	56	32.4 Å²	32.4	34%	0.344	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-56.5	120.1	176.6	-57.4	0	0	0	0	110.2	K61 W63 L275 Y281	K61-T273 CarbonylContact O-C 3.41Å; K61-T273 WeakPolarHBondContact O-CA 3.3Å; W63-T273 HydrophobicContact CB-CG2 4.03Å; T273-L275 PolarHBondContact O-N 2.79Å; T273-Y281 VanDerWaalsContact O-CE2 3.3Å; T273-Y281 WeakPolarHBondContact O-CE2 3.41Å
274	F	96.4	Very high	97.4	Very high	11 Å²	11	24.6 Å²	24.6	5%	0.048	13%	0.128	C	C	.	.			trans	-55.8	132.6	-178	177.9	-95.5	0	0	0	111	V41 L60 K61 Y62 T165 L166 T272 W276	V41-F274 HydrophobicContact CG2-CD1 4.43Å; V41-F274 HydrophobicContact CG2-CE1 3.54Å; V41-F274 HydrophobicContact CG2-CZ 4.1Å; L60-F274 HydrophobicContact CD1-CD2 4.06Å; L60-F274 HydrophobicContact CD1-CE2 4.13Å; L60-F274 HydrophobicContact CD2-CD2 3.79Å; L60-F274 HydrophobicContact CD2-CE2 4.25Å; L60-F274 HydrophobicContact CG-CD2 4.37Å; K61-F274 WeakPolarHBondContact O-CB 3.23Å; K61-F274 PolarHBondContact O-N 3.29Å; Y62-F274 HydrophobicContact CE1-CD1 4.37Å; T165-F274 HydrophobicContact CG2-CD2 4.17Å; T165-F274 HydrophobicContact CG2-CE2 3.55Å; T165-F274 HydrophobicContact CG2-CZ 4.29Å; L166-F274 HydrophobicContact CD2-CE2 4.12Å; T272-F274 PolarHBondContact O-N 3.37Å; T272-F274 VanDerWaalsContact O-N 3.14Å; F274-W276 HydrophobicContact CE1-CB 3.93Å; F274-W276 HydrophobicContact CZ-CB 4.17Å
275	L	96.6	Very high	97.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.126	C	C	.	.			trans	-131.3	131.9	170.4	175.8	65.8	0	0	0	106.6	T165 V236 F241 Y246 T273 V277 A280 Y281 L285	T165-L275 PolarHBondContact OG1-O 3.33Å; V236-L275 HydrophobicContact CG1-CD1 3.79Å; V236-L275 HydrophobicContact CG2-CD1 4.18Å; F241-L275 HydrophobicContact CB-CD1 4.42Å; F241-L275 HydrophobicContact CD2-CD2 4.43Å; Y246-L275 HydrophobicContact CD1-CD2 4.27Å; Y246-L275 HydrophobicContact CE1-CD2 3.64Å; T273-L275 PolarHBondContact O-N 2.79Å; L275-V277 VanDerWaalsContact C-N 3.3Å; L275-V277 HydrophobicContact CD1-CG2 4.29Å; L275-V277 HydrophobicContact CD2-CB 4.17Å; L275-V277 HydrophobicContact CG-CB 4.05Å; L275-V277 HydrophobicContact CG-CG2 4.34Å; L275-V277 PolarHBondContact O-N 3.03Å; L275-A280 HydrophobicContact CD2-CB 3.93Å; L275-Y281 HydrophobicContact CB-CD2 3.86Å; L275-Y281 HydrophobicContact CB-CG 4.41Å; L275-Y281 WeakPolarHBondContact O-CB 3.38Å; L275-L285 HydrophobicContact CB-CD1 4.16Å; L275-L285 HydrophobicContact CD2-CD1 4.08Å
276	W	95.5	Very high	97.4	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	13%	0.126	C	C	.	.	S	Bend	trans	-76.3	-19.7	-174.8	69.5	-96.3	0	0	0	113.5	Y161 K162 T165 K233 W234 Y235 V236 E240 F274 D278	Y161-W276 WeakPolarHBondContact O-CZ3 3.35Å; K162-W276 HydrophobicContact CD-CD2 3.43Å; K162-W276 VanDerWaalsContact CD-CD2 3.43Å; K162-W276 HydrophobicContact CD-CE3 3.69Å; K162-W276 HydrophobicContact CD-CG 3.83Å; K162-W276 HydrophobicContact CD-CH2 4.12Å; K162-W276 HydrophobicContact CD-CZ2 3.94Å; K162-W276 HydrophobicContact CD-CZ3 4.02Å; K162-W276 WeakPolarHBondContact O-CB 3.13Å; T165-W276 WeakPolarHBondContact OG1-CA 3.32Å; T165-W276 PolarHBondContact OG1-O 2.87Å; K233-W276 WeakPolarHBondContact O-CH2 3.44Å; W234-W276 HydrophobicContact CD2-CH2 4.42Å; W234-W276 AromaticContact CE3-CH2 3.54Å; W234-W276 HydrophobicContact CE3-CH2 3.54Å; W234-W276 HydrophobicContact CE3-CZ2 4.49Å; W234-W276 AromaticContact CE3-CZ3 3.86Å; W234-W276 HydrophobicContact CE3-CZ3 3.86Å; W234-W276 HydrophobicContact CZ3-CH2 4.08Å; W234-W276 AromaticContact CZ3-CZ3 3.9Å; W234-W276 HydrophobicContact CZ3-CZ3 3.9Å; Y235-W276 WeakPolarHBondContact O-CZ2 3.21Å; Y235-W276 PolarHBondContact O-NE1 3.06Å; V236-W276 HydrophobicContact CG2-CZ2 4.32Å; E240-W276 VanDerWaalsContact OE1-CD1 3.31Å; F274-W276 HydrophobicContact CE1-CB 3.93Å; F274-W276 HydrophobicContact CZ-CB 4.17Å; W276-D278 PolarHBondContact O-N 2.95Å; W276-D278 VanDerWaalsContact O-N 3.12Å
277	V	97.1	Very high	97.4	Very high	9 Å²	9	23.1 Å²	23.1	6%	0.055	12%	0.119	C	C	.	.			trans	-70.1	100.5	173.6	-174.8	0	0	0	0	108.6	V236 L275 D279 A280 Y281	V236-V277 HydrophobicContact CG2-CG2 3.7Å; L275-V277 VanDerWaalsContact C-N 3.3Å; L275-V277 HydrophobicContact CD1-CG2 4.29Å; L275-V277 HydrophobicContact CD2-CB 4.17Å; L275-V277 HydrophobicContact CG-CB 4.05Å; L275-V277 HydrophobicContact CG-CG2 4.34Å; L275-V277 PolarHBondContact O-N 3.03Å; V277-D279 VanDerWaalsContact CG1-OD1 3.31Å; V277-D279 WeakPolarHBondContact CG1-OD1 3Å; V277-D279 PolarHBondContact O-N 3.24Å; V277-A280 HydrophobicContact CB-CB 4.3Å; V277-A280 HydrophobicContact CG1-CB 3.92Å; V277-A280 PolarHBondContact O-N 3.37Å; V277-Y281 WeakPolarHBondContact O-CB 3.31Å; V277-Y281 PolarHBondContact O-N 3.42Å
278	D	97.7	Very high	97.4	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-42.9	-164.7	71	-45.5	0	0	0	113.4	L164 T165 A168 W276 Y281 I282	L164-D278 HydrophobicContact CB-CB 3.83Å; T165-D278 WeakPolarHBondContact OG1-CA 3.34Å; T165-D278 PolarHBondContact OG1-N 2.93Å; A168-D278 HydrophobicContact CB-CB 4.33Å; W276-D278 PolarHBondContact O-N 2.95Å; W276-D278 VanDerWaalsContact O-N 3.12Å; D278-Y281 PolarHBondContact O-N 3.04Å; D278-I282 VanDerWaalsContact O-CB 3.26Å; D278-I282 WeakPolarHBondContact O-CB 3.44Å; D278-I282 WeakPolarHBondContact O-CG1 3.48Å; D278-I282 PolarHBondContact O-N 2.84Å
279	D	97.5	Very high	97.4	Very high	22 Å²	22	26 Å²	26	12%	0.118	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-46	-179.5	65.1	-7.6	0	0	0	111.6	Y249 C250 G252 V277 Y281 T283	Y249-D279 HydrophobicContact CD2-CB 4.13Å; Y249-D279 HydrophobicContact CE2-CB 4.35Å; Y249-D279 WeakPolarHBondContact CE2-OD2 3.49Å; C250-D279 WeakPolarHBondContact O-CB 3.4Å; G252-D279 VanDerWaalsContact CA-CB 3.46Å; G252-D279 WeakPolarHBondContact CA-OD2 3.39Å; G252-D279 PolarHBondContact N-OD2 3.03Å; V277-D279 VanDerWaalsContact CG1-OD1 3.31Å; V277-D279 WeakPolarHBondContact CG1-OD1 3Å; V277-D279 PolarHBondContact O-N 3.24Å; D279-Y281 PolarHBondContact O-N 2.91Å; D279-T283 WeakPolarHBondContact O-CB 3.33Å; D279-T283 PolarHBondContact O-N 3.22Å; D279-T283 PolarHBondContact O-OG1 3.27Å
280	A	98	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-38.9	174.2	0	0	0	0	0	112.7	Y246 Y249 L275 V277 G284 L285	Y246-A280 HydrophobicContact CD1-CB 4.28Å; Y246-A280 HydrophobicContact CE1-CB 4.44Å; Y246-A280 HydrophobicContact CG-CB 4.38Å; Y249-A280 HydrophobicContact CD2-CB 4.09Å; Y249-A280 HydrophobicContact CE2-CB 4.24Å; Y249-A280 HydrophobicContact CG-CB 4.32Å; L275-A280 HydrophobicContact CD2-CB 3.93Å; V277-A280 HydrophobicContact CB-CB 4.3Å; V277-A280 HydrophobicContact CG1-CB 3.92Å; V277-A280 PolarHBondContact O-N 3.37Å; A280-G284 VanDerWaalsContact O-CA 3.24Å; A280-G284 WeakPolarHBondContact O-CA 3.39Å; A280-G284 PolarHBondContact O-N 3.31Å; A280-L285 PolarHBondContact O-N 2.9Å
281	Y	98.4	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-71.3	-57.5	179	-173.2	-105.1	0	0	0	111.9	T165 I169 V269 T272 T273 L275 V277 D278 D279 L285 L286	T165-Y281 HydrophobicContact CG2-CD1 3.35Å; T165-Y281 HydrophobicContact CG2-CE1 3.81Å; T165-Y281 HydrophobicContact CG2-CG 3.99Å; I169-Y281 HydrophobicContact CD1-CE1 4.15Å; V269-Y281 PolarHBondContact O-OH 2.82Å; T272-Y281 HydrophobicContact CG2-CE2 3.83Å; T272-Y281 PolarHBondContact O-OH 3.07Å; T273-Y281 VanDerWaalsContact O-CE2 3.3Å; T273-Y281 WeakPolarHBondContact O-CE2 3.41Å; L275-Y281 HydrophobicContact CB-CD2 3.86Å; L275-Y281 HydrophobicContact CB-CG 4.41Å; L275-Y281 WeakPolarHBondContact O-CB 3.38Å; V277-Y281 WeakPolarHBondContact O-CB 3.31Å; V277-Y281 PolarHBondContact O-N 3.42Å; D278-Y281 PolarHBondContact O-N 3.04Å; D279-Y281 PolarHBondContact O-N 2.91Å; Y281-L285 HydrophobicContact CD2-CB 4.41Å; Y281-L285 HydrophobicContact CD2-CD1 3.98Å; Y281-L285 PolarHBondContact O-N 2.71Å; Y281-L286 HydrophobicContact CD1-CD1 3.95Å; Y281-L286 HydrophobicContact CD1-CG 4Å; Y281-L286 HydrophobicContact CE1-CD1 3.65Å; Y281-L286 HydrophobicContact CE1-CD2 3.85Å; Y281-L286 HydrophobicContact CE1-CG 3.77Å; Y281-L286 HydrophobicContact CE2-CD2 4.28Å; Y281-L286 WeakPolarHBondContact O-CG 3.36Å; Y281-L286 PolarHBondContact O-N 3.03Å
282	I	98.7	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	I	π-helix	trans	-69	-50.4	-173.2	-58.2	-66.5	0	0	0	111.3	A168 I169 L172 F216 D278 L286 A287	A168-I282 HydrophobicContact CB-CD1 3.89Å; A168-I282 HydrophobicContact CB-CG1 3.69Å; I169-I282 HydrophobicContact CG1-CD1 4.02Å; L172-I282 HydrophobicContact CD1-CD1 4.1Å; L172-I282 HydrophobicContact CD1-CG2 4.12Å; F216-I282 HydrophobicContact CZ-CG2 4.37Å; D278-I282 VanDerWaalsContact O-CB 3.26Å; D278-I282 WeakPolarHBondContact O-CB 3.44Å; D278-I282 WeakPolarHBondContact O-CG1 3.48Å; D278-I282 PolarHBondContact O-N 2.84Å; I282-L286 HydrophobicContact CD1-CD1 3.78Å; I282-A287 PolarHBondContact O-N 3.06Å
283	T	98.7	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-95.5	-7.8	-171	75.6	0	0	0	0	113.2	F216 C250 Y255 D279 A287 L294	F216-T283 HydrophobicContact CD1-CG2 4Å; F216-T283 HydrophobicContact CE1-CG2 3.64Å; F216-T283 HydrophobicContact CZ-CG2 3.94Å; C250-T283 HydrophobicContact CB-CG2 3.91Å; C250-T283 WeakPolarHBondContact CB-OG1 3.49Å; C250-T283 PolarHBondContact N-OG1 3.24Å; Y255-T283 HydrophobicContact CD1-CG2 4.19Å; Y255-T283 HydrophobicContact CE1-CG2 3.97Å; Y255-T283 HydrophobicContact CE2-CG2 4.34Å; Y255-T283 HydrophobicContact CG-CG2 4.45Å; D279-T283 WeakPolarHBondContact O-CB 3.33Å; D279-T283 PolarHBondContact O-N 3.22Å; D279-T283 PolarHBondContact O-OG1 3.27Å; T283-A287 WeakPolarHBondContact O-CB 3.25Å; T283-L294 WeakPolarHBondContact O-CD2 3.33Å
284	G	98.5	Very high	97.8	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.021	16%	0.155	C	C	.	.	I	π-helix	trans	-109.4	-73.6	175.1	0	0	0	0	0	112.2	K248 A280 S288	K248-G284 WeakPolarHBondContact O-CA 3.47Å; A280-G284 VanDerWaalsContact O-CA 3.24Å; A280-G284 WeakPolarHBondContact O-CA 3.39Å; A280-G284 PolarHBondContact O-N 3.31Å; G284-S288 VanDerWaalsContact O-CB 3.26Å; G284-S288 WeakPolarHBondContact O-CB 2.94Å; G284-S288 PolarHBondContact O-N 3.5Å
285	L	98.2	Very high	97.9	Very high	30 Å²	30	31.1 Å²	31.1	16%	0.157	17%	0.168	C	C	.	.	I	π-helix	trans	-66	-53.2	-172.9	-64.9	171	0	0	0	112.4	F241 P247 T272 L275 A280 Y281 S288 V289	F241-L285 HydrophobicContact CE2-CD1 4.24Å; F241-L285 HydrophobicContact CE2-CD2 4.14Å; P247-L285 HydrophobicContact CG-CD2 3.79Å; P247-L285 HydrophobicContact CG-CG 4.1Å; T272-L285 HydrophobicContact CG2-CB 3.68Å; L275-L285 HydrophobicContact CB-CD1 4.16Å; L275-L285 HydrophobicContact CD2-CD1 4.08Å; A280-L285 PolarHBondContact O-N 2.9Å; Y281-L285 HydrophobicContact CD2-CB 4.41Å; Y281-L285 HydrophobicContact CD2-CD1 3.98Å; Y281-L285 PolarHBondContact O-N 2.71Å; L285-S288 PolarHBondContact O-N 2.75Å; L285-V289 PolarHBondContact O-N 2.97Å
286	L	98.7	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-64.9	-44.1	177.5	-60.6	-172.8	0	0	0	111.1	L265 V269 T272 Y281 I282 S288 V289 A290	L265-L286 HydrophobicContact CD2-CB 3.77Å; V269-L286 HydrophobicContact CG2-CD1 3.76Å; V269-L286 HydrophobicContact CG2-CD2 4.26Å; T272-L286 HydrophobicContact CG2-CD2 3.97Å; Y281-L286 HydrophobicContact CD1-CD1 3.95Å; Y281-L286 HydrophobicContact CD1-CG 4Å; Y281-L286 HydrophobicContact CE1-CD1 3.65Å; Y281-L286 HydrophobicContact CE1-CD2 3.85Å; Y281-L286 HydrophobicContact CE1-CG 3.77Å; Y281-L286 HydrophobicContact CE2-CD2 4.28Å; Y281-L286 WeakPolarHBondContact O-CG 3.36Å; Y281-L286 PolarHBondContact O-N 3.03Å; I282-L286 HydrophobicContact CD1-CD1 3.78Å; L286-S288 VanDerWaalsContact C-N 3.26Å; L286-S288 PolarHBondContact O-N 3.12Å; L286-V289 PolarHBondContact O-N 3.12Å; L286-A290 WeakPolarHBondContact O-CB 3.26Å; L286-A290 PolarHBondContact O-N 3.46Å
287	A	98.5	Very high	97.8	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-57.2	-40	177.7	0	0	0	0	0	112.3	F216 L265 I282 T283 K291 V292	F216-A287 HydrophobicContact CD2-CB 4.44Å; F216-A287 HydrophobicContact CE2-CB 3.95Å; L265-A287 HydrophobicContact CD2-CB 4.34Å; I282-A287 PolarHBondContact O-N 3.06Å; T283-A287 WeakPolarHBondContact O-CB 3.25Å; A287-K291 PolarHBondContact O-N 2.75Å; A287-V292 HydrophobicContact CB-CB 4.21Å; A287-V292 PolarHBondContact O-N 2.78Å
288	S	97.7	Very high	97.6	Very high	88 Å²	88	40.5 Å²	40.5	62%	0.615	21%	0.21	S	C	*	.	H	α-helix	trans	-64.1	-46.4	176.6	-177.7	0	0	0	0	112.1	G284 L285 L286 K291	G284-S288 VanDerWaalsContact O-CB 3.26Å; G284-S288 WeakPolarHBondContact O-CB 2.94Å; G284-S288 PolarHBondContact O-N 3.5Å; L285-S288 PolarHBondContact O-N 2.75Å; L286-S288 VanDerWaalsContact C-N 3.26Å; L286-S288 PolarHBondContact O-N 3.12Å; S288-K291 PolarHBondContact O-N 3.47Å
289	V	97.8	Very high	97.1	Very high	78 Å²	78	45.1 Å²	45.1	47%	0.473	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-42.9	178	175.6	0	0	0	0	111.2	L285 L286 K291	L285-V289 PolarHBondContact O-N 2.97Å; L286-V289 PolarHBondContact O-N 3.12Å; V289-K291 PolarHBondContact O-N 3.35Å
290	A	98.3	Very high	96.5	Very high	10 Å²	10	45.6 Å²	45.6	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-75.4	-6.1	-178.9	0	0	0	0	0	114.2	K214 P264 L265 L286 V292	K214-A290 PolarHBondContact NZ-O 3.48Å; P264-A290 HydrophobicContact CB-CB 3.87Å; P264-A290 WeakPolarHBondContact O-CB 3.15Å; L265-A290 HydrophobicContact CD2-CB 4.21Å; L286-A290 WeakPolarHBondContact O-CB 3.26Å; L286-A290 PolarHBondContact O-N 3.46Å; A290-V292 VanDerWaalsContact C-N 3.34Å; A290-V292 HydrophobicContact CB-CG2 3.78Å; A290-V292 PolarHBondContact O-N 2.92Å
291	K	97.9	Very high	95.9	Very high	168 Å²	168	46.1 Å²	46.1	73%	0.73	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	50.1	-173.3	-54.1	179.6	-177.8	178.7	0	111.6	A287 S288 V289	A287-K291 PolarHBondContact O-N 2.75Å; S288-K291 PolarHBondContact O-N 3.47Å; V289-K291 PolarHBondContact O-N 3.35Å
292	V	98.5	Very high	95.1	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	26%	0.259	C	S	.	.			trans	-96.8	130.3	174.1	-178.3	0	0	0	0	108.3	K214 F216 A261 L265 A287 A290	K214-V292 HydrophobicContact CB-CG1 4.43Å; K214-V292 HydrophobicContact CB-CG2 4.37Å; F216-V292 HydrophobicContact CD2-CB 4.48Å; F216-V292 HydrophobicContact CD2-CG1 3.56Å; F216-V292 HydrophobicContact CE2-CB 4.3Å; F216-V292 HydrophobicContact CE2-CG1 3.65Å; A261-V292 HydrophobicContact CB-CG1 3.87Å; A261-V292 HydrophobicContact CB-CG2 3.96Å; L265-V292 HydrophobicContact CD2-CG2 4.24Å; L265-V292 HydrophobicContact CG-CG2 4.3Å; A287-V292 HydrophobicContact CB-CB 4.21Å; A287-V292 PolarHBondContact O-N 2.78Å; A290-V292 VanDerWaalsContact C-N 3.34Å; A290-V292 HydrophobicContact CB-CG2 3.78Å; A290-V292 PolarHBondContact O-N 2.92Å
293	H	98.1	Very high	93.9	Very high	121 Å²	121	52.9 Å²	52.9	56%	0.56	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	156.4	-178.7	-63.3	-70.3	0	0	0	111.9	K214 T215 F216	K214-H293 PolarHBondContact O-N 2.82Å; T215-H293 CarbonylContact C-O 3.47Å; T215-H293 VanDerWaalsContact CA-O 3.3Å; T215-H293 WeakPolarHBondContact CA-O 3.37Å; T215-H293 PolarHBondContact OG1-O 2.74Å; F216-H293 PolarHBondContact N-O 2.88Å
294	L	98.4	Very high	92.5	Very high	51 Å²	51	55.3 Å²	55.3	27%	0.267	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.3	170.1	-55.5	-176.3	0	0	0	108.7	F216 V220 K248 T283	F216-L294 HydrophobicContact CB-CD2 3.77Å; F216-L294 HydrophobicContact CD2-CD2 3.66Å; F216-L294 HydrophobicContact CG-CD2 4.02Å; V220-L294 HydrophobicContact CG1-CD1 4.24Å; V220-L294 HydrophobicContact CG2-CB 3.9Å; K248-L294 HydrophobicContact CB-CD1 4.05Å; T283-L294 WeakPolarHBondContact O-CD2 3.33Å
295	T	97.3	Very high	90.6	Very high	53 Å²	53	57 Å²	57	33%	0.325	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.8	173.9	-58.1	0	0	0	0	108.8	T215 F216 Y217 C218 I297	T215-T295 PolarHBondContact OG1-OG1 3.23Å; T215-T295 VanDerWaalsContact OG1-OG1 3.09Å; F216-T295 WeakPolarHBondContact O-CB 3.17Å; F216-T295 PolarHBondContact O-N 2.7Å; Y217-T295 HydrophobicContact CD1-CG2 3.7Å; Y217-T295 HydrophobicContact CE1-CG2 3.77Å; C218-T295 PolarHBondContact N-O 3.21Å; C218-T295 VanDerWaalsContact N-O 3.17Å; T295-I297 HydrophobicContact CG2-CG2 4.47Å; T295-I297 PolarHBondContact O-N 2.79Å
296	D	96.6	Very high	88.5	Confident	82 Å²	82	62.9 Å²	62.9	44%	0.439	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.4	-179.2	-165.3	3.6	0	0	0	111.1	C218 V220 R298	C218-D296 WeakPolarHBondContact O-CA 3.34Å; V220-D296 HydrophobicContact CB-CB 4.11Å; V220-D296 HydrophobicContact CG2-CB 3.8Å; V220-D296 PolarHBondContact N-OD1 3.27Å; V220-D296 VanDerWaalsContact N-OD1 3.16Å; D296-R298 VanDerWaalsContact OD1-CB 3.24Å; D296-R298 WeakPolarHBondContact OD1-CB 3.45Å; D296-R298 PolarHBondContact OD1-N 3.23Å; D296-R298 IonicContact OD2-NE 3.86Å
297	I	94.3	Very high	86.3	Confident	13 Å²	13	69.6 Å²	69.6	7%	0.067	36%	0.362	C	S	.	.			trans	-115.4	25.9	176.4	61	163.9	0	0	0	111.5	L202 Y217 C218 T295 S299 I300 F318	L202-I297 HydrophobicContact CD1-CG2 4.26Å; Y217-I297 HydrophobicContact CD1-CG2 4.21Å; C218-I297 VanDerWaalsContact C-CG1 3.49Å; C218-I297 WeakPolarHBondContact O-CG1 3.28Å; C218-I297 PolarHBondContact O-N 2.92Å; T295-I297 HydrophobicContact CG2-CG2 4.47Å; T295-I297 PolarHBondContact O-N 2.79Å; I297-S299 PolarHBondContact O-N 3.16Å; I297-I300 HydrophobicContact CB-CD1 3.82Å; I297-I300 HydrophobicContact CB-CG1 3.88Å; I297-I300 HydrophobicContact CD1-CD1 3.92Å; I297-I300 HydrophobicContact CD1-CG1 4.37Å; I297-I300 HydrophobicContact CG1-CD1 4.33Å; I297-I300 HydrophobicContact CG1-CG1 4.4Å; I297-I300 HydrophobicContact CG2-CD1 4.42Å; I297-I300 WeakPolarHBondContact O-CG1 3.23Å; I297-I300 PolarHBondContact O-N 3.41Å; I297-I300 VanDerWaalsContact O-N 3.07Å; I297-F318 HydrophobicContact CD1-CE2 4.05Å
298	R	92	Very high	84.1	Confident	114 Å²	114	72.4 Å²	72.4	43%	0.43	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-49.6	-30.5	178.6	-176.5	-176.6	-59.6	-152.6	-4.5	114.4	T219 V220 D296 I300 Y301	T219-R298 HydrophobicContact CG2-CB 4.12Å; T219-R298 HydrophobicContact CG2-CG 4.01Å; V220-R298 PolarHBondContact O-NH2 3.23Å; D296-R298 VanDerWaalsContact OD1-CB 3.24Å; D296-R298 WeakPolarHBondContact OD1-CB 3.45Å; D296-R298 PolarHBondContact OD1-N 3.23Å; D296-R298 IonicContact OD2-NE 3.86Å; R298-I300 PolarHBondContact O-N 2.98Å; R298-I300 VanDerWaalsContact O-N 3.14Å; R298-Y301 PolarHBondContact O-N 3.44Å; R298-Y301 VanDerWaalsContact O-N 3.07Å
299	S	87.4	Confident	81.9	Confident	101 Å²	101	77.5 Å²	77.5	71%	0.706	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-58.3	-25.2	-179.7	55.3	0	0	0	0	113.8	I297	I297-S299 PolarHBondContact O-N 3.16Å
300	I	85.6	Confident	79.6	Confident	32 Å²	32	79 Å²	79	16%	0.164	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-107.3	16.6	-179.6	52	170.5	0	0	0	112.7	L202 I297 R298 I317 F318	L202-I300 HydrophobicContact CD1-CD1 3.48Å; L202-I300 VanDerWaalsContact CD1-CD1 3.48Å; I297-I300 HydrophobicContact CB-CD1 3.82Å; I297-I300 HydrophobicContact CB-CG1 3.88Å; I297-I300 HydrophobicContact CD1-CD1 3.92Å; I297-I300 HydrophobicContact CD1-CG1 4.37Å; I297-I300 HydrophobicContact CG1-CD1 4.33Å; I297-I300 HydrophobicContact CG1-CG1 4.4Å; I297-I300 HydrophobicContact CG2-CD1 4.42Å; I297-I300 WeakPolarHBondContact O-CG1 3.23Å; I297-I300 PolarHBondContact O-N 3.41Å; I297-I300 VanDerWaalsContact O-N 3.07Å; R298-I300 PolarHBondContact O-N 2.98Å; R298-I300 VanDerWaalsContact O-N 3.14Å; I300-I317 HydrophobicContact CB-CB 4.31Å; I300-I317 HydrophobicContact CB-CD1 4.27Å; I300-I317 HydrophobicContact CB-CG1 4.07Å; I300-I317 HydrophobicContact CD1-CB 4.42Å; I300-I317 HydrophobicContact CD1-CD1 3.49Å; I300-I317 VanDerWaalsContact CD1-CD1 3.49Å; I300-I317 HydrophobicContact CD1-CG1 4.17Å; I300-I317 HydrophobicContact CG1-CD1 4.39Å; I300-I317 PolarHBondContact O-N 2.85Å; I300-F318 PolarHBondContact O-N 3.13Å
301	Y	84	Confident	77.2	Confident	11 Å²	11	79.2 Å²	79.2	4%	0.043	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.2	179	-147.4	-72.3	0	0	0	112.2	M192 T219 S253 S254 R298 F303 F318	M192-Y301 HydrophobicContact CE-CE1 4.18Å; M192-Y301 WeakPolarHBondContact CE-OH 3.47Å; T219-Y301 VanDerWaalsContact OG1-CB 3.29Å; T219-Y301 WeakPolarHBondContact OG1-CB 3.45Å; T219-Y301 VanDerWaalsContact OG1-CD2 3.26Å; T219-Y301 WeakPolarHBondContact OG1-CD2 3.46Å; T219-Y301 VanDerWaalsContact OG1-CG 3.26Å; S253-Y301 WeakPolarHBondContact CB-OH 3.47Å; S254-Y301 PolarHBondContact N-OH 3Å; S254-Y301 WeakPolarHBondContact OG-CE2 3.37Å; S254-Y301 PolarHBondContact OG-OH 3.24Å; R298-Y301 PolarHBondContact O-N 3.44Å; R298-Y301 VanDerWaalsContact O-N 3.07Å; Y301-F303 AromaticContact CD1-CD1 3.94Å; Y301-F303 HydrophobicContact CD1-CD1 3.94Å; Y301-F303 AromaticContact CD1-CD2 3.85Å; Y301-F303 HydrophobicContact CD1-CD2 3.85Å; Y301-F303 AromaticContact CD1-CE1 3.62Å; Y301-F303 HydrophobicContact CD1-CE1 3.62Å; Y301-F303 AromaticContact CD1-CE2 3.51Å; Y301-F303 HydrophobicContact CD1-CE2 3.51Å; Y301-F303 HydrophobicContact CD1-CG 4.05Å; Y301-F303 AromaticContact CD1-CZ 3.39Å; Y301-F303 HydrophobicContact CD1-CZ 3.39Å; Y301-F303 AromaticContact CE1-CD1 3.62Å; Y301-F303 HydrophobicContact CE1-CD1 3.62Å; Y301-F303 HydrophobicContact CE1-CD2 4.39Å; Y301-F303 AromaticContact CE1-CE1 3.27Å; Y301-F303 HydrophobicContact CE1-CE1 3.27Å; Y301-F303 HydrophobicContact CE1-CE2 4.09Å; Y301-F303 HydrophobicContact CE1-CG 4.17Å; Y301-F303 AromaticContact CE1-CZ 3.53Å; Y301-F303 HydrophobicContact CE1-CZ 3.53Å; Y301-F303 HydrophobicContact CG-CE2 4.11Å; Y301-F303 HydrophobicContact CG-CZ 4.02Å; Y301-F303 AromaticContact CZ-CE1 3.96Å; Y301-F318 HydrophobicContact CD1-CB 4.39Å; Y301-F318 HydrophobicContact CD2-CB 3.6Å; Y301-F318 AromaticContact CD2-CD2 3.91Å; Y301-F318 HydrophobicContact CD2-CD2 3.91Å; Y301-F318 HydrophobicContact CD2-CG 4.08Å; Y301-F318 HydrophobicContact CE1-CB 4.23Å; Y301-F318 HydrophobicContact CE2-CB 3.45Å; Y301-F318 VanDerWaalsContact CE2-CB 3.45Å; Y301-F318 HydrophobicContact CE2-CD2 4.06Å; Y301-F318 AromaticContact CE2-CG 3.89Å; Y301-F318 HydrophobicContact CE2-CG 3.89Å; Y301-F318 HydrophobicContact CG-CB 4.07Å
302	K	81.3	Confident	74.9	Confident	63 Å²	63	75.4 Å²	75.4	27%	0.274	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.3	169.6	-58.4	-68.3	177.7	-174.3	0	111.2	S316 F318 V319 H320	K302-S316 WeakPolarHBondContact CE-OG 3.34Å; K302-S316 VanDerWaalsContact CG-OG 3.25Å; K302-S316 WeakPolarHBondContact CG-OG 2.84Å; K302-F318 PolarHBondContact N-O 3.36Å; K302-V319 HydrophobicContact CB-CG1 4.26Å; K302-V319 HydrophobicContact CB-CG2 4.27Å; K302-V319 WeakPolarHBondContact O-CA 2.93Å; K302-H320 PolarHBondContact O-N 3.21Å
303	F	75.1	Confident	72.6	Confident	80 Å²	80	81.3 Å²	81.3	35%	0.351	41%	0.406	S	S	.	.			trans	-101.3	-0.9	-178.9	-68	-77.7	0	0	0	114.4	T219 W221 S251 Y301	T219-F303 HydrophobicContact CG2-CE2 3.85Å; T219-F303 HydrophobicContact CG2-CZ 3.76Å; W221-F303 HydrophobicContact CH2-CE1 4.41Å; W221-F303 HydrophobicContact CH2-CE2 4Å; W221-F303 AromaticContact CH2-CZ 3.92Å; W221-F303 HydrophobicContact CH2-CZ 3.92Å; W221-F303 AromaticContact CZ2-CE1 3.95Å; W221-F303 HydrophobicContact CZ2-CE1 3.95Å; W221-F303 HydrophobicContact CZ2-CE2 4.26Å; W221-F303 AromaticContact CZ2-CZ 3.69Å; W221-F303 HydrophobicContact CZ2-CZ 3.69Å; S251-F303 WeakPolarHBondContact OG-CE1 3.44Å; Y301-F303 AromaticContact CD1-CD1 3.94Å; Y301-F303 HydrophobicContact CD1-CD1 3.94Å; Y301-F303 AromaticContact CD1-CD2 3.85Å; Y301-F303 HydrophobicContact CD1-CD2 3.85Å; Y301-F303 AromaticContact CD1-CE1 3.62Å; Y301-F303 HydrophobicContact CD1-CE1 3.62Å; Y301-F303 AromaticContact CD1-CE2 3.51Å; Y301-F303 HydrophobicContact CD1-CE2 3.51Å; Y301-F303 HydrophobicContact CD1-CG 4.05Å; Y301-F303 AromaticContact CD1-CZ 3.39Å; Y301-F303 HydrophobicContact CD1-CZ 3.39Å; Y301-F303 AromaticContact CE1-CD1 3.62Å; Y301-F303 HydrophobicContact CE1-CD1 3.62Å; Y301-F303 HydrophobicContact CE1-CD2 4.39Å; Y301-F303 AromaticContact CE1-CE1 3.27Å; Y301-F303 HydrophobicContact CE1-CE1 3.27Å; Y301-F303 HydrophobicContact CE1-CE2 4.09Å; Y301-F303 HydrophobicContact CE1-CG 4.17Å; Y301-F303 AromaticContact CE1-CZ 3.53Å; Y301-F303 HydrophobicContact CE1-CZ 3.53Å; Y301-F303 HydrophobicContact CG-CE2 4.11Å; Y301-F303 HydrophobicContact CG-CZ 4.02Å; Y301-F303 AromaticContact CZ-CE1 3.96Å
304	S	67.5	Low	70.5	Confident	51 Å²	51	80.3 Å²	80.3	36%	0.357	41%	0.405	S	S	.	.			trans	-146.8	149.9	177	79.5	0	0	0	0	113.7	D306	S304-D306 VanDerWaalsContact C-N 3.26Å; S304-D306 PolarHBondContact O-N 2.88Å
305	D	59.3	Low	69	Low	38 Å²	38	81.3 Å²	81.3	20%	0.203	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-60.2	-31.1	175.4	-71.4	26.9	0	0	0	112.8	K307 M308 L321 K327	D305-K307 PolarHBondContact O-N 3.3Å; D305-M308 HydrophobicContact CB-SD 4.45Å; D305-M308 VanDerWaalsContact O-CB 3.26Å; D305-M308 WeakPolarHBondContact O-CB 3.34Å; D305-M308 WeakPolarHBondContact O-CG 3.46Å; D305-M308 PolarHBondContact O-N 3.42Å; D305-L321 WeakPolarHBondContact OD1-CD2 3.48Å; D305-K327 IonicContact OD2-NZ 2.7Å; D305-K327 PolarHBondContact OD2-NZ 3.18Å
306	D	54.8	Low	68.1	Low	152 Å²	152	78.9 Å²	78.9	81%	0.813	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-64.7	-16.7	-167.6	-64.8	-28.9	0	0	0	113.9	S304	S304-D306 VanDerWaalsContact C-N 3.26Å; S304-D306 PolarHBondContact O-N 2.88Å
307	K	51.9	Low	67.6	Low	141 Å²	141	75.4 Å²	75.4	61%	0.613	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-96.6	13	176.3	-62.3	-170.8	-178.7	-176.9	0	113.8	D305 K309 N310	D305-K307 PolarHBondContact O-N 3.3Å; K307-K309 PolarHBondContact O-N 3.31Å; K307-N310 PolarHBondContact O-N 3.14Å
308	M	53.2	Low	67.4	Low	62 Å²	62	74.8 Å²	74.8	31%	0.305	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.9	-179.4	-82.8	-178.4	73.2	0	0	114.3	D305 N310 F311 K327 L331	D305-M308 HydrophobicContact CB-SD 4.45Å; D305-M308 VanDerWaalsContact O-CB 3.26Å; D305-M308 WeakPolarHBondContact O-CB 3.34Å; D305-M308 WeakPolarHBondContact O-CG 3.46Å; D305-M308 PolarHBondContact O-N 3.42Å; M308-N310 PolarHBondContact O-N 2.89Å; M308-F311 VanDerWaalsContact O-CB 3.28Å; M308-F311 WeakPolarHBondContact O-CB 3.34Å; M308-F311 PolarHBondContact O-N 2.85Å; M308-K327 HydrophobicContact SD-CD 4.21Å; M308-L331 HydrophobicContact CE-CD1 4.5Å
309	K	51.4	Low	67.1	Low	196 Å²	196	69.5 Å²	69.5	85%	0.852	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-59.3	-34.8	178.9	-75.8	-173.6	177.2	-179.1	0	112.9	K307	K307-K309 PolarHBondContact O-N 3.31Å
310	N	48.4	Very low	67	Low	109 Å²	109	66.8 Å²	66.8	58%	0.583	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-100.3	15.1	-177.4	-58.2	4.9	0	0	0	112.3	K307 M308 F312 D313	K307-N310 PolarHBondContact O-N 3.14Å; M308-N310 PolarHBondContact O-N 2.89Å; N310-F312 PolarHBondContact O-N 2.99Å; N310-D313 PolarHBondContact O-N 2.93Å
311	F	48.6	Very low	67	Low	15 Å²	15	65.2 Å²	65.2	7%	0.066	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.3	-175.9	-178.3	-94.1	0	0	0	112.6	F193 M308 V319 L331	F193-F311 HydrophobicContact CD1-CZ 4.38Å; F193-F311 HydrophobicContact CE1-CE2 4.33Å; F193-F311 AromaticContact CE1-CZ 3.68Å; F193-F311 HydrophobicContact CE1-CZ 3.68Å; F193-F311 HydrophobicContact CZ-CZ 4.28Å; M308-F311 VanDerWaalsContact O-CB 3.28Å; M308-F311 WeakPolarHBondContact O-CB 3.34Å; M308-F311 PolarHBondContact O-N 2.85Å; F311-V319 HydrophobicContact CD2-CG2 4.16Å; F311-V319 HydrophobicContact CE2-CG2 3.53Å; F311-L331 HydrophobicContact CD1-CD1 3.34Å; F311-L331 HydrophobicContact CD1-CG 4.39Å; F311-L331 HydrophobicContact CD2-CD1 4.12Å; F311-L331 HydrophobicContact CD2-CD2 4.47Å; F311-L331 HydrophobicContact CE1-CD1 3.25Å; F311-L331 HydrophobicContact CE1-CD2 4.36Å; F311-L331 HydrophobicContact CE1-CG 3.84Å; F311-L331 HydrophobicContact CE2-CD1 4.05Å; F311-L331 HydrophobicContact CE2-CD2 3.93Å; F311-L331 HydrophobicContact CE2-CG 4.31Å; F311-L331 HydrophobicContact CG-CD1 3.79Å; F311-L331 HydrophobicContact CZ-CD1 3.63Å; F311-L331 HydrophobicContact CZ-CD2 3.87Å; F311-L331 HydrophobicContact CZ-CG 3.8Å
312	F	50	Low	66.7	Low	88 Å²	88	66.6 Å²	66.6	39%	0.386	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-25.2	180	-63.5	-75	0	0	0	113.9	N310 N314 K334	N310-F312 PolarHBondContact O-N 2.99Å; F312-N314 VanDerWaalsContact C-N 3.29Å; F312-K334 HydrophobicContact CE1-CB 3.72Å; F312-K334 HydrophobicContact CE1-CD 4.36Å; F312-K334 HydrophobicContact CE1-CG 4.19Å; F312-K334 HydrophobicContact CE2-CD 4.13Å; F312-K334 HydrophobicContact CZ-CB 3.65Å; F312-K334 HydrophobicContact CZ-CD 3.41Å; F312-K334 VanDerWaalsContact CZ-CD 3.41Å; F312-K334 HydrophobicContact CZ-CG 3.65Å
313	D	50.1	Low	66.6	Low	134 Å²	134	70.6 Å²	70.6	72%	0.717	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.8	-178.8	-56.4	-38.1	0	0	0	111.9	N310	N310-D313 PolarHBondContact O-N 2.93Å
314	N	53.5	Low	67.1	Low	100 Å²	100	68.7 Å²	68.7	54%	0.535	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.4	111.9	179.2	-140.9	-14.1	0	0	0	109.9	F312 S316	F312-N314 VanDerWaalsContact C-N 3.29Å; N314-S316 VanDerWaalsContact C-N 3.31Å; N314-S316 PolarHBondContact O-N 3.39Å; N314-S316 PolarHBondContact O-OG 3.2Å
315	P	66.3	Low	68.1	Low	73 Å²	73	69.2 Å²	69.2	47%	0.474	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	87.1	-163.2	31	-34.3	0	0	0	109.6	I317	P315-I317 PolarHBondContact O-N 3.19Å
316	S	79.2	Confident	69.4	Low	2 Å²	2	73 Å²	73	1%	0.014	37%	0.373	C	S	.	.			trans	-67.3	126.3	176.5	-57.7	0	0	0	0	107.7	K302 N314	K302-S316 WeakPolarHBondContact CE-OG 3.34Å; K302-S316 VanDerWaalsContact CG-OG 3.25Å; K302-S316 WeakPolarHBondContact CG-OG 2.84Å; N314-S316 VanDerWaalsContact C-N 3.31Å; N314-S316 PolarHBondContact O-N 3.39Å; N314-S316 PolarHBondContact O-OG 3.2Å
317	I	85.6	Confident	70.9	Confident	8 Å²	8	69.6 Å²	69.6	4%	0.041	35%	0.351	C	S	.	.	S	Bend	trans	-83.6	-39.5	-176.2	-66.3	-173	0	0	0	110.7	V194 N195 I199 I300 P315	V194-I317 CarbonylContact C-O 3.6Å; V194-I317 WeakPolarHBondContact CA-O 2.95Å; N195-I317 PolarHBondContact N-O 3.34Å; I199-I317 HydrophobicContact CB-CG2 3.72Å; I199-I317 HydrophobicContact CD1-CG2 4.45Å; I300-I317 HydrophobicContact CB-CB 4.31Å; I300-I317 HydrophobicContact CB-CD1 4.27Å; I300-I317 HydrophobicContact CB-CG1 4.07Å; I300-I317 HydrophobicContact CD1-CB 4.42Å; I300-I317 HydrophobicContact CD1-CD1 3.49Å; I300-I317 VanDerWaalsContact CD1-CD1 3.49Å; I300-I317 HydrophobicContact CD1-CG1 4.17Å; I300-I317 HydrophobicContact CG1-CD1 4.39Å; I300-I317 PolarHBondContact O-N 2.85Å; P315-I317 PolarHBondContact O-N 3.19Å
318	F	89.7	Confident	72.7	Confident	1 Å²	1	63 Å²	63	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.2	-176.8	-60.1	-71.2	0	0	0	110.3	L186 M192 V194 I199 S254 I297 I300 Y301 K302	L186-F318 HydrophobicContact CD1-CE1 3.93Å; L186-F318 HydrophobicContact CD1-CZ 3.93Å; M192-F318 HydrophobicContact CE-CB 3.8Å; V194-F318 HydrophobicContact CG1-CD1 4.2Å; V194-F318 HydrophobicContact CG1-CE1 3.84Å; V194-F318 HydrophobicContact CG2-CD1 4.14Å; V194-F318 HydrophobicContact CG2-CE1 4.26Å; I199-F318 HydrophobicContact CB-CZ 4.38Å; I199-F318 HydrophobicContact CD1-CE2 3.99Å; I199-F318 HydrophobicContact CD1-CZ 3.75Å; I199-F318 HydrophobicContact CG1-CZ 3.93Å; S254-F318 WeakPolarHBondContact OG-CD1 3.42Å; S254-F318 VanDerWaalsContact OG-CG 3.31Å; S254-F318 WeakPolarHBondContact OG-CG 3.43Å; I297-F318 HydrophobicContact CD1-CE2 4.05Å; I300-F318 PolarHBondContact O-N 3.13Å; Y301-F318 HydrophobicContact CD1-CB 4.39Å; Y301-F318 HydrophobicContact CD2-CB 3.6Å; Y301-F318 AromaticContact CD2-CD2 3.91Å; Y301-F318 HydrophobicContact CD2-CD2 3.91Å; Y301-F318 HydrophobicContact CD2-CG 4.08Å; Y301-F318 HydrophobicContact CE1-CB 4.23Å; Y301-F318 HydrophobicContact CE2-CB 3.45Å; Y301-F318 VanDerWaalsContact CE2-CB 3.45Å; Y301-F318 HydrophobicContact CE2-CD2 4.06Å; Y301-F318 AromaticContact CE2-CG 3.89Å; Y301-F318 HydrophobicContact CE2-CG 3.89Å; Y301-F318 HydrophobicContact CG-CB 4.07Å; K302-F318 PolarHBondContact N-O 3.36Å
319	V	86.7	Confident	74.5	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.5	174.3	-167.9	0	0	0	0	109.8	M192 F193 K302 F311 L321 L331	M192-V319 VanDerWaalsContact CE-C 3.43Å; M192-V319 WeakPolarHBondContact CE-O 2.98Å; F193-V319 HydrophobicContact CB-CB 4.27Å; F193-V319 HydrophobicContact CD1-CB 4.23Å; F193-V319 HydrophobicContact CD1-CG2 3.97Å; F193-V319 PolarHBondContact N-O 2.92Å; F193-V319 PolarHBondContact O-N 3.15Å; K302-V319 HydrophobicContact CB-CG1 4.26Å; K302-V319 HydrophobicContact CB-CG2 4.27Å; K302-V319 WeakPolarHBondContact O-CA 2.93Å; F311-V319 HydrophobicContact CD2-CG2 4.16Å; F311-V319 HydrophobicContact CE2-CG2 3.53Å; V319-L321 HydrophobicContact CB-CG 4.3Å; V319-L321 HydrophobicContact CG1-CD1 4.28Å; V319-L321 HydrophobicContact CG1-CD2 3.66Å; V319-L321 HydrophobicContact CG1-CG 3.74Å; V319-L331 HydrophobicContact CB-CD2 4.4Å; V319-L331 HydrophobicContact CG2-CD2 4.15Å
320	H	85.9	Confident	76.2	Confident	43 Å²	43	57.3 Å²	57.3	20%	0.199	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.2	172.8	-171.7	-132.1	0	0	0	109.9	D191 M192 K302	D191-H320 IonicContact OD1-CD2 3.52Å; D191-H320 PolarHBondContact OD1-CD2 2.96Å; D191-H320 VanDerWaalsContact OD1-CD2 3.27Å; D191-H320 IonicContact OD1-NE2 2.83Å; D191-H320 PolarHBondContact OD1-NE2 3.1Å; D191-H320 IonicContact OD2-CD2 3.3Å; D191-H320 IonicContact OD2-CE1 3.82Å; D191-H320 IonicContact OD2-NE2 3.71Å; D191-H320 PolarHBondContact OD2-NE2 3.15Å; M192-H320 HydrophobicContact CE-CB 4.45Å; M192-H320 WeakPolarHBondContact SD-CA 3.41Å; M192-H320 HydrophobicContact SD-CB 3.58Å; M192-H320 VanDerWaalsContact SD-CB 3.58Å; M192-H320 VanDerWaalsContact SD-CD2 3.57Å; K302-H320 PolarHBondContact O-N 3.21Å
321	L	83.6	Confident	78	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.			trans	-130.8	63.8	-174.4	-66	-179.5	0	0	0	110.5	D191 F193 D305 V319 N323 R328 L331	D191-L321 CarbonylContact O-C 3.57Å; D191-L321 PolarHBondContact O-N 2.88Å; D191-L321 VanDerWaalsContact O-N 3.16Å; F193-L321 HydrophobicContact CB-CD1 4.02Å; D305-L321 WeakPolarHBondContact OD1-CD2 3.48Å; V319-L321 HydrophobicContact CB-CG 4.3Å; V319-L321 HydrophobicContact CG1-CD1 4.28Å; V319-L321 HydrophobicContact CG1-CD2 3.66Å; V319-L321 HydrophobicContact CG1-CG 3.74Å; L321-N323 VanDerWaalsContact C-N 3.33Å; L321-N323 PolarHBondContact O-N 3.18Å; L321-R328 HydrophobicContact CB-CG 3.68Å; L321-R328 HydrophobicContact CD1-CB 4.48Å; L321-R328 HydrophobicContact CD1-CG 3.74Å; L321-R328 HydrophobicContact CG-CG 4.32Å; L321-R328 PolarHBondContact O-NH1 3.29Å; L321-L331 HydrophobicContact CD1-CD2 3.94Å
322	P	78.5	Confident	80	Confident	39 Å²	39	52.1 Å²	52.1	25%	0.253	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.2	-164.9	22.2	-33.1	0	0	0	114.5
323	N	80.3	Confident	81.9	Confident	147 Å²	147	52.8 Å²	52.8	79%	0.786	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.6	-163.2	-61.1	-31	0	0	0	114.5	L321	L321-N323 VanDerWaalsContact C-N 3.33Å; L321-N323 PolarHBondContact O-N 3.18Å
324	T	85	Confident	83.6	Confident	40 Å²	40	50.7 Å²	50.7	25%	0.245	26%	0.262	C	S	.	.			trans	-144.2	96.7	-168.8	56.1	0	0	0	0	114.4	N326 K327 R328	T324-N326 VanDerWaalsContact C-N 3.25Å; T324-N326 PolarHBondContact O-N 2.87Å; T324-K327 HydrophobicContact CG2-CD 4.39Å; T324-K327 HydrophobicContact CG2-CG 4.37Å; T324-K327 PolarHBondContact O-N 2.68Å; T324-K327 VanDerWaalsContact OG1-CB 3.26Å; T324-K327 WeakPolarHBondContact OG1-CB 3.32Å; T324-K327 WeakPolarHBondContact OG1-CD 3.48Å; T324-K327 WeakPolarHBondContact OG1-CG 3.24Å; T324-R328 PolarHBondContact O-N 2.88Å
325	M	87.6	Confident	85.1	Confident	62 Å²	62	46.3 Å²	46.3	31%	0.305	24%	0.238	S	C	.	.	H	α-helix	trans	-55.8	-39.2	170.7	-79.4	-169.3	-61.4	0	0	112.7	K103 R104 L107 K327 R328 Y329	K103-M325 HydrophobicContact CB-CE 4.26Å; K103-M325 HydrophobicContact CB-SD 4.15Å; R104-M325 HydrophobicContact CG-SD 4.35Å; L107-M325 HydrophobicContact CD2-CB 3.64Å; L107-M325 HydrophobicContact CD2-CG 3.7Å; L107-M325 HydrophobicContact CD2-SD 4.21Å; M325-K327 VanDerWaalsContact C-N 3.35Å; M325-K327 PolarHBondContact O-N 3.28Å; M325-R328 VanDerWaalsContact CG-NH2 3.35Å; M325-R328 WeakPolarHBondContact O-CB 3.37Å; M325-R328 PolarHBondContact O-N 3.06Å; M325-Y329 PolarHBondContact O-N 2.94Å
326	N	88.1	Confident	86.1	Confident	117 Å²	117	45.5 Å²	45.5	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-63.1	-38	178.5	-69.2	-12.8	0	0	0	112.7	T324 Y329 A330	T324-N326 VanDerWaalsContact C-N 3.25Å; T324-N326 PolarHBondContact O-N 2.87Å; N326-Y329 PolarHBondContact O-N 3.27Å; N326-A330 WeakPolarHBondContact O-CB 3.12Å; N326-A330 PolarHBondContact O-N 3.37Å
327	K	86.4	Confident	86.4	Confident	81 Å²	81	50.8 Å²	50.8	35%	0.352	25%	0.254	S	S	.	.	H	α-helix	trans	-68.5	-40.9	175.6	-65.2	-169.1	-165.3	174.1	0	111.1	D305 M308 T324 M325 Y329 A330 L331	D305-K327 IonicContact OD2-NZ 2.7Å; D305-K327 PolarHBondContact OD2-NZ 3.18Å; M308-K327 HydrophobicContact SD-CD 4.21Å; T324-K327 HydrophobicContact CG2-CD 4.39Å; T324-K327 HydrophobicContact CG2-CG 4.37Å; T324-K327 PolarHBondContact O-N 2.68Å; T324-K327 VanDerWaalsContact OG1-CB 3.26Å; T324-K327 WeakPolarHBondContact OG1-CB 3.32Å; T324-K327 WeakPolarHBondContact OG1-CD 3.48Å; T324-K327 WeakPolarHBondContact OG1-CG 3.24Å; M325-K327 VanDerWaalsContact C-N 3.35Å; M325-K327 PolarHBondContact O-N 3.28Å; K327-Y329 VanDerWaalsContact C-N 3.31Å; K327-Y329 PolarHBondContact O-N 3.43Å; K327-A330 PolarHBondContact O-N 2.97Å; K327-L331 WeakPolarHBondContact O-CB 3.45Å; K327-L331 PolarHBondContact O-N 3.47Å
328	R	89	Confident	86.1	Confident	2 Å²	2	55 Å²	55	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-46.9	173.9	-68	-164.5	-70.4	-111.1	13.5	111.2	L107 M111 D191 L321 T324 M325 L331 W332	L107-R328 HydrophobicContact CD2-CB 4.43Å; M111-R328 HydrophobicContact CE-CB 4.23Å; M111-R328 HydrophobicContact SD-CB 4.23Å; D191-R328 VanDerWaalsContact CA-NH1 3.32Å; D191-R328 PolarHBondContact O-NH1 3.27Å; L321-R328 HydrophobicContact CB-CG 3.68Å; L321-R328 HydrophobicContact CD1-CB 4.48Å; L321-R328 HydrophobicContact CD1-CG 3.74Å; L321-R328 HydrophobicContact CG-CG 4.32Å; L321-R328 PolarHBondContact O-NH1 3.29Å; T324-R328 PolarHBondContact O-N 2.88Å; M325-R328 VanDerWaalsContact CG-NH2 3.35Å; M325-R328 WeakPolarHBondContact O-CB 3.37Å; M325-R328 PolarHBondContact O-N 3.06Å; R328-L331 PolarHBondContact O-N 3.28Å; R328-W332 PolarHBondContact O-N 3.37Å
329	Y	90.2	Very high	85.6	Confident	97 Å²	97	55.2 Å²	55.2	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-67.4	-41.3	178.6	-166.8	-113.3	0	0	0	113.3	L107 M111 M325 N326 K327 L331 W332 K333	L107-Y329 HydrophobicContact CD1-CD2 3.8Å; L107-Y329 HydrophobicContact CD1-CG 4.24Å; M111-Y329 HydrophobicContact CG-CD2 3.85Å; M111-Y329 HydrophobicContact CG-CE2 4.4Å; M111-Y329 HydrophobicContact SD-CD2 4.15Å; M325-Y329 PolarHBondContact O-N 2.94Å; N326-Y329 PolarHBondContact O-N 3.27Å; K327-Y329 VanDerWaalsContact C-N 3.31Å; K327-Y329 PolarHBondContact O-N 3.43Å; Y329-L331 VanDerWaalsContact C-N 3.3Å; Y329-L331 PolarHBondContact O-N 3.19Å; Y329-W332 WeakPolarHBondContact O-CB 3.32Å; Y329-W332 PolarHBondContact O-N 2.75Å; Y329-K333 HydrophobicContact CD1-CD 4.24Å; Y329-K333 HydrophobicContact CD1-CG 4.44Å; Y329-K333 HydrophobicContact CE1-CD 3.75Å; Y329-K333 HydrophobicContact CE1-CG 4.11Å; Y329-K333 PolarHBondContact O-N 3.38Å
330	A	87.8	Confident	85.1	Confident	43 Å²	43	61.6 Å²	61.6	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-40	176	0	0	0	0	0	111.7	N326 K327 W332 K333 K334	N326-A330 WeakPolarHBondContact O-CB 3.12Å; N326-A330 PolarHBondContact O-N 3.37Å; K327-A330 PolarHBondContact O-N 2.97Å; A330-W332 VanDerWaalsContact C-N 3.34Å; A330-K333 PolarHBondContact O-N 3.26Å; A330-K334 WeakPolarHBondContact O-CB 3.17Å; A330-K334 WeakPolarHBondContact O-CG 3.48Å; A330-K334 PolarHBondContact O-N 2.83Å; A330-K334 VanDerWaalsContact O-N 3.15Å
331	L	86.2	Confident	84.5	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-41.5	175.5	-163	59.7	0	0	0	111.2	F193 M308 F311 V319 L321 K327 R328 Y329 K334 T335	F193-L331 HydrophobicContact CB-CD2 4.04Å; F193-L331 HydrophobicContact CD1-CD2 3.39Å; F193-L331 HydrophobicContact CD1-CG 4.06Å; F193-L331 HydrophobicContact CD2-CB 3.96Å; F193-L331 HydrophobicContact CD2-CD2 3.86Å; F193-L331 HydrophobicContact CD2-CG 3.97Å; F193-L331 HydrophobicContact CE1-CD2 3.77Å; F193-L331 HydrophobicContact CE1-CG 3.97Å; F193-L331 HydrophobicContact CE2-CB 4.01Å; F193-L331 HydrophobicContact CE2-CD2 4.18Å; F193-L331 HydrophobicContact CE2-CG 3.87Å; F193-L331 HydrophobicContact CG-CB 4.41Å; F193-L331 HydrophobicContact CG-CD2 3.46Å; F193-L331 VanDerWaalsContact CG-CD2 3.46Å; F193-L331 HydrophobicContact CG-CG 4.07Å; F193-L331 HydrophobicContact CZ-CD2 4.15Å; F193-L331 HydrophobicContact CZ-CG 3.88Å; M308-L331 HydrophobicContact CE-CD1 4.5Å; F311-L331 HydrophobicContact CD1-CD1 3.34Å; F311-L331 HydrophobicContact CD1-CG 4.39Å; F311-L331 HydrophobicContact CD2-CD1 4.12Å; F311-L331 HydrophobicContact CD2-CD2 4.47Å; F311-L331 HydrophobicContact CE1-CD1 3.25Å; F311-L331 HydrophobicContact CE1-CD2 4.36Å; F311-L331 HydrophobicContact CE1-CG 3.84Å; F311-L331 HydrophobicContact CE2-CD1 4.05Å; F311-L331 HydrophobicContact CE2-CD2 3.93Å; F311-L331 HydrophobicContact CE2-CG 4.31Å; F311-L331 HydrophobicContact CG-CD1 3.79Å; F311-L331 HydrophobicContact CZ-CD1 3.63Å; F311-L331 HydrophobicContact CZ-CD2 3.87Å; F311-L331 HydrophobicContact CZ-CG 3.8Å; V319-L331 HydrophobicContact CB-CD2 4.4Å; V319-L331 HydrophobicContact CG2-CD2 4.15Å; L321-L331 HydrophobicContact CD1-CD2 3.94Å; K327-L331 WeakPolarHBondContact O-CB 3.45Å; K327-L331 PolarHBondContact O-N 3.47Å; R328-L331 PolarHBondContact O-N 3.28Å; Y329-L331 VanDerWaalsContact C-N 3.3Å; Y329-L331 PolarHBondContact O-N 3.19Å; L331-K334 WeakPolarHBondContact O-CB 3.19Å; L331-K334 PolarHBondContact O-N 2.73Å; L331-T335 PolarHBondContact O-N 3.3Å; L331-T335 PolarHBondContact O-OG1 3.29Å; L331-T335 VanDerWaalsContact O-OG1 3.11Å
332	W	90.1	Very high	83.8	Confident	10 Å²	10	69.6 Å²	69.6	4%	0.038	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-48.3	175.3	178.9	-112.6	0	0	0	113.5	M111 W112 F117 F193 I196 F197 R328 Y329 A330 K334 T335 L336	M111-W332 VanDerWaalsContact C-CE2 3.48Å; M111-W332 HydrophobicContact CB-CB 4.22Å; M111-W332 HydrophobicContact CB-CD2 3.88Å; M111-W332 HydrophobicContact CB-CG 3.68Å; M111-W332 HydrophobicContact CG-CB 3.84Å; M111-W332 HydrophobicContact CG-CD2 4.39Å; M111-W332 HydrophobicContact CG-CG 3.66Å; M111-W332 VanDerWaalsContact O-CZ2 3.3Å; M111-W332 WeakPolarHBondContact O-CZ2 3.5Å; M111-W332 HydrophobicContact SD-CB 3.81Å; M111-W332 HydrophobicContact SD-CG 4.29Å; W112-W332 HydrophobicContact CB-CE3 4.09Å; W112-W332 HydrophobicContact CB-CH2 3.96Å; W112-W332 HydrophobicContact CB-CZ3 3.65Å; F117-W332 HydrophobicContact CE1-CH2 4.44Å; F117-W332 AromaticContact CE2-CH2 3.5Å; F117-W332 HydrophobicContact CE2-CH2 3.5Å; F117-W332 AromaticContact CE2-CZ2 3.47Å; F117-W332 HydrophobicContact CE2-CZ2 3.47Å; F117-W332 VanDerWaalsContact CE2-CZ2 3.47Å; F117-W332 AromaticContact CZ-CH2 3.41Å; F117-W332 HydrophobicContact CZ-CH2 3.41Å; F117-W332 VanDerWaalsContact CZ-CH2 3.41Å; F117-W332 AromaticContact CZ-CZ2 3.46Å; F117-W332 HydrophobicContact CZ-CZ2 3.46Å; F117-W332 VanDerWaalsContact CZ-CZ2 3.46Å; F193-W332 HydrophobicContact CE2-CB 4.13Å; F193-W332 HydrophobicContact CE2-CE3 4.09Å; I196-W332 HydrophobicContact CD1-CH2 4.34Å; I196-W332 HydrophobicContact CG1-CH2 3.81Å; I196-W332 HydrophobicContact CG1-CZ3 4.01Å; F197-W332 HydrophobicContact CE2-CH2 4.24Å; F197-W332 HydrophobicContact CE2-CZ3 4.48Å; R328-W332 PolarHBondContact O-N 3.37Å; Y329-W332 WeakPolarHBondContact O-CB 3.32Å; Y329-W332 PolarHBondContact O-N 2.75Å; A330-W332 VanDerWaalsContact C-N 3.34Å; W332-K334 VanDerWaalsContact C-N 3.28Å; W332-K334 PolarHBondContact O-N 2.85Å; W332-T335 WeakPolarHBondContact O-CB 3.4Å; W332-T335 PolarHBondContact O-N 3.14Å; W332-T335 VanDerWaalsContact O-N 3.1Å; W332-L336 HydrophobicContact CD2-CG 4.43Å; W332-L336 HydrophobicContact CH2-CD2 4.14Å; W332-L336 HydrophobicContact CZ2-CD1 4.2Å; W332-L336 HydrophobicContact CZ2-CD2 3.7Å; W332-L336 HydrophobicContact CZ2-CG 4.01Å; W332-L336 PolarHBondContact O-N 3.43Å
333	K	89.9	Confident	83.5	Confident	102 Å²	102	71.1 Å²	71.1	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-57	-44.9	176.2	-70.9	-168.8	-66.5	172.8	0	111.7	Y329 A330 T335 L336 E337	Y329-K333 HydrophobicContact CD1-CD 4.24Å; Y329-K333 HydrophobicContact CD1-CG 4.44Å; Y329-K333 HydrophobicContact CE1-CD 3.75Å; Y329-K333 HydrophobicContact CE1-CG 4.11Å; Y329-K333 PolarHBondContact O-N 3.38Å; A330-K333 PolarHBondContact O-N 3.26Å; K333-T335 VanDerWaalsContact C-N 3.33Å; K333-T335 PolarHBondContact O-N 2.71Å; K333-L336 WeakPolarHBondContact O-CB 3.49Å; K333-L336 PolarHBondContact O-N 3.49Å; K333-E337 WeakPolarHBondContact O-CG 3.19Å; K333-E337 PolarHBondContact O-N 3.08Å
334	K	85.3	Confident	83	Confident	91 Å²	91	65.2 Å²	65.2	40%	0.396	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-38.2	176.1	-80.5	171.6	149.5	-156.3	0	112.9	F312 A330 L331 W332 F338	F312-K334 HydrophobicContact CE1-CB 3.72Å; F312-K334 HydrophobicContact CE1-CD 4.36Å; F312-K334 HydrophobicContact CE1-CG 4.19Å; F312-K334 HydrophobicContact CE2-CD 4.13Å; F312-K334 HydrophobicContact CZ-CB 3.65Å; F312-K334 HydrophobicContact CZ-CD 3.41Å; F312-K334 VanDerWaalsContact CZ-CD 3.41Å; F312-K334 HydrophobicContact CZ-CG 3.65Å; A330-K334 WeakPolarHBondContact O-CB 3.17Å; A330-K334 WeakPolarHBondContact O-CG 3.48Å; A330-K334 PolarHBondContact O-N 2.83Å; A330-K334 VanDerWaalsContact O-N 3.15Å; L331-K334 WeakPolarHBondContact O-CB 3.19Å; L331-K334 PolarHBondContact O-N 2.73Å; W332-K334 VanDerWaalsContact C-N 3.28Å; W332-K334 PolarHBondContact O-N 2.85Å; K334-F338 WeakPolarHBondContact O-CB 3.26Å; K334-F338 PolarHBondContact O-N 3.43Å
335	T	86	Confident	81.7	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.043	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-40.3	173.7	-62.5	0	0	0	0	112.2	F193 F197 L331 W332 K333 F338 C339	F193-T335 WeakPolarHBondContact CZ-OG1 3.41Å; F197-T335 HydrophobicContact CD2-CG2 3.92Å; F197-T335 HydrophobicContact CE2-CG2 4.1Å; L331-T335 PolarHBondContact O-N 3.3Å; L331-T335 PolarHBondContact O-OG1 3.29Å; L331-T335 VanDerWaalsContact O-OG1 3.11Å; W332-T335 WeakPolarHBondContact O-CB 3.4Å; W332-T335 PolarHBondContact O-N 3.14Å; W332-T335 VanDerWaalsContact O-N 3.1Å; K333-T335 VanDerWaalsContact C-N 3.33Å; K333-T335 PolarHBondContact O-N 2.71Å; T335-F338 PolarHBondContact O-N 2.7Å; T335-C339 WeakPolarHBondContact O-CB 3.37Å; T335-C339 PolarHBondContact O-N 3.03Å
336	L	87.3	Confident	79.9	Confident	57 Å²	57	74.5 Å²	74.5	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-44.7	174.8	-70.1	178.3	0	0	0	111.9	F117 F197 W332 K333 F338 C339 N340	F117-L336 HydrophobicContact CZ-CD2 4.5Å; F197-L336 HydrophobicContact CE2-CD2 4.21Å; F197-L336 HydrophobicContact CZ-CD2 4.11Å; W332-L336 HydrophobicContact CD2-CG 4.43Å; W332-L336 HydrophobicContact CH2-CD2 4.14Å; W332-L336 HydrophobicContact CZ2-CD1 4.2Å; W332-L336 HydrophobicContact CZ2-CD2 3.7Å; W332-L336 HydrophobicContact CZ2-CG 4.01Å; W332-L336 PolarHBondContact O-N 3.43Å; K333-L336 WeakPolarHBondContact O-CB 3.49Å; K333-L336 PolarHBondContact O-N 3.49Å; L336-F338 PolarHBondContact O-N 2.58Å; L336-C339 PolarHBondContact O-N 3.24Å; L336-N340 WeakPolarHBondContact O-CB 3.25Å; L336-N340 VanDerWaalsContact O-CG 3.24Å; L336-N340 PolarHBondContact O-N 2.94Å; L336-N340 PolarHBondContact O-ND2 2.84Å
337	E	84.6	Confident	79.4	Confident	113 Å²	113	72.4 Å²	72.4	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-56.3	-50.9	174.7	-72.6	164.4	-166.5	0	0	111	K333 C339 N340 M341	K333-E337 WeakPolarHBondContact O-CG 3.19Å; K333-E337 PolarHBondContact O-N 3.08Å; E337-C339 VanDerWaalsContact C-N 3.32Å; E337-C339 PolarHBondContact O-N 2.88Å; E337-N340 PolarHBondContact O-N 3.15Å; E337-M341 WeakPolarHBondContact O-CG 3.27Å; E337-M341 PolarHBondContact O-N 2.89Å; E337-M341 VanDerWaalsContact O-N 3.08Å
338	F	80.5	Confident	79.1	Confident	95 Å²	95	71.9 Å²	71.9	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-58.2	-44.8	176.7	-178.9	-92.9	0	0	0	112	K334 T335 L336 N340 M341 A342	K334-F338 WeakPolarHBondContact O-CB 3.26Å; K334-F338 PolarHBondContact O-N 3.43Å; T335-F338 PolarHBondContact O-N 2.7Å; L336-F338 PolarHBondContact O-N 2.58Å; F338-N340 PolarHBondContact O-N 3.05Å; F338-M341 PolarHBondContact O-N 3.09Å; F338-A342 HydrophobicContact CD1-CB 4.31Å; F338-A342 HydrophobicContact CE1-CB 3.92Å; F338-A342 HydrophobicContact CZ-CB 4.17Å; F338-A342 VanDerWaalsContact O-CB 3.29Å; F338-A342 WeakPolarHBondContact O-CB 3.39Å; F338-A342 PolarHBondContact O-N 3.5Å
339	C	78.5	Confident	78.5	Confident	7 Å²	7	75.8 Å²	75.8	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-71.1	-28.8	-177.8	-91.9	0	0	0	0	114.6	F197 T335 L336 E337 D343 C344	F197-C339 HydrophobicContact CD1-CB 4.46Å; F197-C339 HydrophobicContact CD2-CB 4.2Å; F197-C339 WeakPolarHBondContact CD2-SG 3.36Å; F197-C339 HydrophobicContact CE1-CB 4.32Å; F197-C339 HydrophobicContact CE2-CB 4.01Å; F197-C339 HydrophobicContact CG-CB 4.42Å; F197-C339 WeakPolarHBondContact CG-SG 3.37Å; F197-C339 HydrophobicContact CZ-CB 4.08Å; T335-C339 WeakPolarHBondContact O-CB 3.37Å; T335-C339 PolarHBondContact O-N 3.03Å; L336-C339 PolarHBondContact O-N 3.24Å; E337-C339 VanDerWaalsContact C-N 3.32Å; E337-C339 PolarHBondContact O-N 2.88Å; C339-D343 PolarHBondContact O-N 3.41Å; C339-D343 VanDerWaalsContact O-N 3.12Å; C339-C344 WeakPolarHBondContact CA-SG 3.34Å; C339-C344 HydrophobicContact CB-CB 3.58Å; C339-C344 WeakPolarHBondContact CB-SG 3.35Å; C339-C344 PolarHBondContact O-N 2.85Å; C339-C344 VanDerWaalsContact O-N 3.09Å; C339-C344 WeakPolarHBondContact SG-CB 3.26Å; C339-C344 CovalentContact SG-SG 2.06Å; C339-C344 PolarHBondContact SG-SG 3.4Å
340	N	76.6	Confident	77.8	Confident	137 Å²	137	74.6 Å²	74.6	73%	0.733	39%	0.387	S	S	*	.	H	α-helix	trans	-69.2	-38.1	171.1	-71.1	-14.7	0	0	0	111	L336 E337 F338	L336-N340 WeakPolarHBondContact O-CB 3.25Å; L336-N340 VanDerWaalsContact O-CG 3.24Å; L336-N340 PolarHBondContact O-N 2.94Å; L336-N340 PolarHBondContact O-ND2 2.84Å; E337-N340 PolarHBondContact O-N 3.15Å; F338-N340 PolarHBondContact O-N 3.05Å
341	M	72.5	Confident	77.2	Confident	154 Å²	154	76.6 Å²	76.6	76%	0.759	39%	0.389	S	S	*	.	H	α-helix	trans	-71.5	-38.4	176.1	-67.5	-175.7	-66.5	0	0	112.8	E337 F338	E337-M341 WeakPolarHBondContact O-CG 3.27Å; E337-M341 PolarHBondContact O-N 2.89Å; E337-M341 VanDerWaalsContact O-N 3.08Å; F338-M341 PolarHBondContact O-N 3.09Å
342	A	69.4	Low	76.6	Confident	56 Å²	56	81.4 Å²	81.4	46%	0.463	41%	0.414	S	S	.	.	H	α-helix	trans	-92.1	0.3	-174	0	0	0	0	0	114.5	F338	F338-A342 HydrophobicContact CD1-CB 4.31Å; F338-A342 HydrophobicContact CE1-CB 3.92Å; F338-A342 HydrophobicContact CZ-CB 4.17Å; F338-A342 VanDerWaalsContact O-CB 3.29Å; F338-A342 WeakPolarHBondContact O-CB 3.39Å; F338-A342 PolarHBondContact O-N 3.5Å
343	D	71.4	Confident	75.7	Confident	71 Å²	71	86.5 Å²	86.5	38%	0.38	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	63	-173.1	-170.4	17.5	0	0	0	113.3	C339 S345 K346	C339-D343 PolarHBondContact O-N 3.41Å; C339-D343 VanDerWaalsContact O-N 3.12Å; D343-S345 PolarHBondContact O-N 3.33Å; D343-S345 VanDerWaalsContact OD1-CB 3.31Å; D343-S345 WeakPolarHBondContact OD1-CB 3.47Å; D343-S345 PolarHBondContact OD1-N 3.05Å; D343-S345 PolarHBondContact OD1-OG 2.98Å; D343-K346 PolarHBondContact O-N 3.21Å; D343-K346 WeakPolarHBondContact OD2-CE 3.47Å; D343-K346 IonicContact OD2-NZ 2.66Å
344	C	71.5	Confident	74.6	Confident	24 Å²	24	85.3 Å²	85.3	16%	0.162	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	20.1	173.2	-62.7	0	0	0	0	113.3	K120 F197 C339	K120-C344 WeakPolarHBondContact CE-O 3.39Å; K120-C344 PolarHBondContact NZ-O 3.26Å; F197-C344 HydrophobicContact CB-CB 4.24Å; F197-C344 HydrophobicContact CD1-CB 3.55Å; F197-C344 HydrophobicContact CE1-CB 4.14Å; F197-C344 HydrophobicContact CG-CB 4.03Å; C339-C344 WeakPolarHBondContact CA-SG 3.34Å; C339-C344 HydrophobicContact CB-CB 3.58Å; C339-C344 WeakPolarHBondContact CB-SG 3.35Å; C339-C344 PolarHBondContact O-N 2.85Å; C339-C344 VanDerWaalsContact O-N 3.09Å; C339-C344 WeakPolarHBondContact SG-CB 3.26Å; C339-C344 CovalentContact SG-SG 2.06Å; C339-C344 PolarHBondContact SG-SG 3.4Å
345	S	56.9	Low	73.7	Confident	80 Å²	80	84.8 Å²	84.8	56%	0.559	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-13.2	170.5	77.2	0	0	0	0	113	D343	D343-S345 PolarHBondContact O-N 3.33Å; D343-S345 VanDerWaalsContact OD1-CB 3.31Å; D343-S345 WeakPolarHBondContact OD1-CB 3.47Å; D343-S345 PolarHBondContact OD1-N 3.05Å; D343-S345 PolarHBondContact OD1-OG 2.98Å
346	K	48.7	Very low	72.5	Confident	217 Å²	217	91.9 Å²	91.9	94%	0.943	48%	0.481	S	S	*	.			trans	-102.5	0	172.1	-59.8	178.3	-174.3	171	0	111	D343	D343-K346 PolarHBondContact O-N 3.21Å; D343-K346 WeakPolarHBondContact OD2-CE 3.47Å; D343-K346 IonicContact OD2-NZ 2.66Å

Retrieved 346 of 346 residues in 125.4 ms (Link to these results)

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