A0A077ZCK1_TRITR Loading...

HEGF and EGF CA and EGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 668 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	24.5	Very low	30.7	Very low	242 Å²	242	118.1 Å²	118.1	100%	1.192	64%	0.636	S	S	*	*				0	141	0	-67	164.4	177.5	0	0	107.5
2	A	25.3	Very low	31.3	Very low	92 Å²	92	117.8 Å²	117.8	76%	0.76	63%	0.628	S	S	*	*			trans	-105.5	128.6	176	0	0	0	0	0	109.3	I4	A2-I4 PolarHBondContact O-N 3.48Å
3	F	24.7	Very low	31.7	Very low	196 Å²	196	112.8 Å²	112.8	86%	0.86	61%	0.605	S	S	*	*			trans	-79.4	114.8	172.3	-81.7	-88.3	0	0	0	109.3
4	I	27.1	Very low	32.1	Very low	139 Å²	139	118.4 Å²	118.4	71%	0.713	62%	0.616	S	S	*	*			trans	-88.9	110.9	169.8	-57	171.8	0	0	0	106.8	A2 F28	A2-I4 PolarHBondContact O-N 3.48Å; I4-F28 HydrophobicContact CG2-CD1 4.4Å; I4-F28 HydrophobicContact CG2-CE1 3.84Å
5	N	28.6	Very low	32.7	Very low	130 Å²	130	117.2 Å²	117.2	70%	0.695	62%	0.616	S	S	*	*			trans	-120.1	130.8	165.2	-88.8	-23.1	0	0	0	108.5
6	P	29.3	Very low	33	Very low	76 Å²	76	117.3 Å²	117.3	49%	0.494	62%	0.623	S	S	.	*			trans	-75.7	126.5	-173.9	29.2	-33.9	0	0	0	112.6	M26 F28	P6-M26 HydrophobicContact CB-CE 4.32Å; P6-M26 HydrophobicContact CB-CG 4.17Å; P6-M26 HydrophobicContact CB-SD 3.68Å; P6-F28 VanDerWaalsContact CA-CE1 3.47Å; P6-F28 HydrophobicContact CB-CE1 3.9Å; P6-F28 HydrophobicContact CB-CZ 3.79Å
7	V	33.2	Very low	33.5	Very low	82 Å²	82	122.1 Å²	122.1	50%	0.497	64%	0.641	S	S	.	*			trans	-92.5	136.9	170.1	169.7	0	0	0	0	108.5	M26 Y27	V7-M26 CarbonylContact O-C 3.49Å; V7-M26 VanDerWaalsContact O-CA 3.22Å; V7-M26 WeakPolarHBondContact O-CA 3.31Å; V7-M26 WeakPolarHBondContact O-CG 3.31Å; V7-Y27 WeakPolarHBondContact CB-O 3.48Å; V7-Y27 WeakPolarHBondContact CG1-O 3.25Å; V7-Y27 PolarHBondContact O-N 3.02Å
8	I	33.7	Very low	33.9	Very low	92 Å²	92	125.5 Å²	125.5	47%	0.472	65%	0.653	S	S	.	*			trans	-106.8	114	-163.1	-109.8	159.7	0	0	0	111.6	H24 V25	I8-H24 HydrophobicContact CB-CB 4.44Å; I8-H24 HydrophobicContact CD1-CB 3.9Å; I8-H24 HydrophobicContact CG1-CB 4Å; I8-H24 HydrophobicContact CG2-CB 3.6Å; I8-H24 VanDerWaalsContact CG2-ND1 3.3Å; I8-H24 WeakPolarHBondContact CG2-ND1 3.44Å; I8-V25 VanDerWaalsContact CA-O 3.3Å; I8-V25 WeakPolarHBondContact CA-O 3.49Å; I8-V25 WeakPolarHBondContact CG1-O 3.41Å
9	A	38.4	Very low	34	Very low	29 Å²	29	127 Å²	127	24%	0.24	66%	0.662	C	S	.	*			trans	-166.4	127.1	178.4	0	0	0	0	0	114.6	V25 M26 Y27	A9-V25 VanDerWaalsContact N-C 3.33Å; A9-M26 VanDerWaalsContact N-N 3.13Å; A9-M26 CarbonylContact O-C 3.57Å; A9-M26 VanDerWaalsContact O-C 3.31Å; A9-M26 WeakPolarHBondContact O-CA 3.24Å; A9-M26 PolarHBondContact O-N 3.42Å; A9-Y27 HydrophobicContact CB-CD2 3.33Å; A9-Y27 HydrophobicContact CB-CE2 3.72Å; A9-Y27 HydrophobicContact CB-CG 3.76Å
10	D	33.7	Very low	34.1	Very low	68 Å²	68	129 Å²	129	36%	0.364	67%	0.668	S	S	.	*	S	Bend	trans	178.4	35.4	162.8	-74.6	-51.8	0	0	0	108.8	V25 Y27	D10-V25 HydrophobicContact CB-CB 3.6Å; D10-V25 HydrophobicContact CB-CG1 3.85Å; D10-V25 HydrophobicContact CB-CG2 3.77Å; D10-Y27 VanDerWaalsContact OD1-CE1 3.24Å; D10-Y27 WeakPolarHBondContact OD1-CE1 3.42Å; D10-Y27 PolarHBondContact OD1-OH 3.48Å; D10-Y27 VanDerWaalsContact OD1-OH 3.1Å
11	H	39.9	Very low	34	Very low	153 Å²	153	132.5 Å²	132.5	71%	0.708	67%	0.674	S	S	*	*			trans	67.4	163.4	178.3	-71	-68.8	0	0	0	121.3
12	E	37.3	Very low	34.4	Very low	115 Å²	115	127.5 Å²	127.5	54%	0.537	65%	0.652	S	S	.	*			trans	-94.2	151.7	-155.3	-42.6	95.8	-107.7	0	0	116.1	Y14	E12-Y14 HydrophobicContact CB-CD2 4.45Å; E12-Y14 VanDerWaalsContact OE2-CE2 3.24Å; E12-Y14 WeakPolarHBondContact OE2-CE2 3.08Å
13	P	36.6	Very low	34.6	Very low	52 Å²	52	129.2 Å²	129.2	34%	0.338	65%	0.648	S	S	.	*			trans	-82.2	102.1	139.6	35.1	-28.7	0	0	0	110.1	L23	P13-L23 VanDerWaalsContact CD-O 3.3Å; P13-L23 WeakPolarHBondContact CD-O 3.42Å; P13-L23 HydrophobicContact CG-CB 3.58Å; P13-L23 VanDerWaalsContact CG-N 3.29Å
14	Y	37.4	Very low	35.1	Very low	191 Å²	191	126.2 Å²	126.2	75%	0.749	64%	0.636	S	S	*	*			trans	-52.6	136.3	140.2	-71.9	-116.3	0	0	0	108.3	E12	E12-Y14 HydrophobicContact CB-CD2 4.45Å; E12-Y14 VanDerWaalsContact OE2-CE2 3.24Å; E12-Y14 WeakPolarHBondContact OE2-CE2 3.08Å
15	T	41.2	Very low	35.4	Very low	101 Å²	101	121.8 Å²	121.8	62%	0.62	62%	0.616	S	S	*	*			trans	-163.4	107.6	138.3	17.2	0	0	0	0	114.6
16	T	38	Very low	35.6	Very low	119 Å²	119	120 Å²	120	73%	0.73	60%	0.604	S	S	*	*			trans	69.6	161	134.3	55	0	0	0	0	120.7	E18	T16-E18 VanDerWaalsContact C-N 3.31Å; T16-E18 PolarHBondContact O-N 3.29Å; T16-E18 VanDerWaalsContact O-N 3.08Å
17	E	41.1	Very low	35.6	Very low	199 Å²	199	122.6 Å²	122.6	93%	0.93	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	7	-144.9	-62.7	169.4	135.8	0	0	116
18	E	40.6	Very low	35.3	Very low	183 Å²	183	124.1 Å²	124.1	86%	0.855	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	17.5	-174	-63	-168.7	144	0	0	115.7	T16	T16-E18 VanDerWaalsContact C-N 3.31Å; T16-E18 PolarHBondContact O-N 3.29Å; T16-E18 VanDerWaalsContact O-N 3.08Å
19	N	35.7	Very low	35	Very low	154 Å²	154	124.3 Å²	124.3	82%	0.824	61%	0.614	S	S	*	*			trans	47.5	93.5	165	-81.9	-18.8	0	0	0	118.2
20	Q	36.3	Very low	34.5	Very low	167 Å²	167	129.4 Å²	129.4	78%	0.78	64%	0.642	S	S	*	*			trans	-133.2	-36.6	162.3	-71	-162.3	-11.7	0	0	118.5
21	Y	30.8	Very low	34.3	Very low	202 Å²	202	136.1 Å²	136.1	79%	0.792	66%	0.664	S	S	*	*			trans	-148.4	153.4	-179	-64.4	-72.8	0	0	0	115.4
22	N	33.1	Very low	33.7	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	67%	0.674	S	S	*	*			trans	-133.5	167.3	-178.2	-71.2	-29.2	0	0	0	112
23	L	29.6	Very low	33.3	Very low	127 Å²	127	140.4 Å²	140.4	67%	0.665	68%	0.684	S	S	*	*			trans	-146.7	159.2	172.2	-152.1	72.6	0	0	0	113.1	P13	P13-L23 VanDerWaalsContact CD-O 3.3Å; P13-L23 WeakPolarHBondContact CD-O 3.42Å; P13-L23 HydrophobicContact CG-CB 3.58Å; P13-L23 VanDerWaalsContact CG-N 3.29Å
24	H	36.4	Very low	32.9	Very low	133 Å²	133	147.3 Å²	147.3	62%	0.616	71%	0.712	S	S	*	*			trans	-148.5	176.2	-174.6	-77.4	-79.1	0	0	0	112.2	I8	I8-H24 HydrophobicContact CB-CB 4.44Å; I8-H24 HydrophobicContact CD1-CB 3.9Å; I8-H24 HydrophobicContact CG1-CB 4Å; I8-H24 HydrophobicContact CG2-CB 3.6Å; I8-H24 VanDerWaalsContact CG2-ND1 3.3Å; I8-H24 WeakPolarHBondContact CG2-ND1 3.44Å
25	V	33.1	Very low	32.6	Very low	47 Å²	47	146.1 Å²	146.1	29%	0.285	72%	0.718	S	S	.	*			trans	-151.1	-145.6	-154.7	18.9	0	0	0	0	114.3	I8 A9 D10	I8-V25 VanDerWaalsContact CA-O 3.3Å; I8-V25 WeakPolarHBondContact CA-O 3.49Å; I8-V25 WeakPolarHBondContact CG1-O 3.41Å; A9-V25 VanDerWaalsContact N-C 3.33Å; D10-V25 HydrophobicContact CB-CB 3.6Å; D10-V25 HydrophobicContact CB-CG1 3.85Å; D10-V25 HydrophobicContact CB-CG2 3.77Å
26	M	31.6	Very low	31.8	Very low	92 Å²	92	150.2 Å²	150.2	45%	0.453	73%	0.73	S	S	.	*			trans	-161.8	123.4	-177.3	-126.8	164.8	-75.3	0	0	123.2	P6 V7 A9 F28	P6-M26 HydrophobicContact CB-CE 4.32Å; P6-M26 HydrophobicContact CB-CG 4.17Å; P6-M26 HydrophobicContact CB-SD 3.68Å; V7-M26 CarbonylContact O-C 3.49Å; V7-M26 VanDerWaalsContact O-CA 3.22Å; V7-M26 WeakPolarHBondContact O-CA 3.31Å; V7-M26 WeakPolarHBondContact O-CG 3.31Å; A9-M26 VanDerWaalsContact N-N 3.13Å; A9-M26 CarbonylContact O-C 3.57Å; A9-M26 VanDerWaalsContact O-C 3.31Å; A9-M26 WeakPolarHBondContact O-CA 3.24Å; A9-M26 PolarHBondContact O-N 3.42Å; M26-F28 HydrophobicContact CB-CE2 4.39Å; M26-F28 HydrophobicContact CG-CD2 4.37Å; M26-F28 HydrophobicContact CG-CE2 3.61Å; M26-F28 HydrophobicContact CG-CZ 4.04Å; M26-F28 HydrophobicContact SD-CE2 3.6Å; M26-F28 HydrophobicContact SD-CZ 3.6Å
27	Y	29.3	Very low	31.4	Very low	130 Å²	130	156.2 Å²	156.2	51%	0.51	74%	0.739	S	S	.	*			trans	-138.4	108.4	168.6	-68.6	-22.4	0	0	0	115.8	V7 A9 D10	V7-Y27 WeakPolarHBondContact CB-O 3.48Å; V7-Y27 WeakPolarHBondContact CG1-O 3.25Å; V7-Y27 PolarHBondContact O-N 3.02Å; A9-Y27 HydrophobicContact CB-CD2 3.33Å; A9-Y27 HydrophobicContact CB-CE2 3.72Å; A9-Y27 HydrophobicContact CB-CG 3.76Å; D10-Y27 VanDerWaalsContact OD1-CE1 3.24Å; D10-Y27 WeakPolarHBondContact OD1-CE1 3.42Å; D10-Y27 PolarHBondContact OD1-OH 3.48Å; D10-Y27 VanDerWaalsContact OD1-OH 3.1Å
28	F	28.9	Very low	30.7	Very low	115 Å²	115	152.6 Å²	152.6	50%	0.504	73%	0.73	S	S	.	*			trans	-90	156.9	-178.3	-58	-108.9	0	0	0	115.2	I4 P6 M26	I4-F28 HydrophobicContact CG2-CD1 4.4Å; I4-F28 HydrophobicContact CG2-CE1 3.84Å; P6-F28 VanDerWaalsContact CA-CE1 3.47Å; P6-F28 HydrophobicContact CB-CE1 3.9Å; P6-F28 HydrophobicContact CB-CZ 3.79Å; M26-F28 HydrophobicContact CB-CE2 4.39Å; M26-F28 HydrophobicContact CG-CD2 4.37Å; M26-F28 HydrophobicContact CG-CE2 3.61Å; M26-F28 HydrophobicContact CG-CZ 4.04Å; M26-F28 HydrophobicContact SD-CE2 3.6Å; M26-F28 HydrophobicContact SD-CZ 3.6Å
29	S	27.1	Very low	29.9	Very low	95 Å²	95	152 Å²	152	66%	0.664	73%	0.728	S	S	*	*			trans	-128.1	157.4	162.7	74.7	0	0	0	0	111.9
30	V	27.9	Very low	29.4	Very low	136 Å²	136	155.1 Å²	155.1	82%	0.824	73%	0.734	S	S	*	*			trans	-138.5	130.9	-171.1	-175.9	0	0	0	0	111.4
31	Y	29.5	Very low	28.8	Very low	210 Å²	210	153.3 Å²	153.3	82%	0.824	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-102.5	151	175.6	-68	-90	0	0	0	111.9
32	R	27.3	Very low	28.3	Very low	241 Å²	241	149 Å²	149	91%	0.909	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-77.9	147	179.8	-67.7	-173.3	-176.9	-174.9	2	111.9
33	P	28.5	Very low	27.9	Very low	117 Å²	117	150 Å²	150	76%	0.76	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-72	153.1	170.2	32.1	-35.3	0	0	0	111.7
34	Q	27.6	Very low	27.7	Very low	197 Å²	197	150.7 Å²	150.7	92%	0.921	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-74	156.2	167.2	-71.3	-174.1	-13.2	0	0	111.3
35	L	30.6	Very low	27	Very low	166 Å²	166	151.2 Å²	151.2	87%	0.869	75%	0.748	S	S	*	*			trans	-134.3	115.6	178.4	-104.9	159.5	0	0	0	108.5
36	E	24.4	Very low	26.7	Very low	186 Å²	186	156.6 Å²	156.6	87%	0.869	77%	0.77	S	S	*	*			trans	-75.6	136.1	169.4	-62.7	179	152.2	0	0	110.2
37	R	30	Very low	26.5	Very low	246 Å²	246	154.2 Å²	154.2	93%	0.928	76%	0.762	S	S	*	*			trans	-161.9	149	148.4	-111.6	162.2	-161.6	-120.9	-1	111.4
38	T	26.4	Very low	26.4	Very low	122 Å²	122	151 Å²	151	75%	0.748	75%	0.753	S	S	*	*			trans	-86	144.6	-165.8	46.9	0	0	0	0	114
39	Q	24.2	Very low	26.2	Very low	170 Å²	170	152 Å²	152	79%	0.794	75%	0.754	S	S	*	*			trans	28.1	128.2	141.3	-62.7	173.6	-27.4	0	0	119.5
40	F	24.8	Very low	26.4	Very low	221 Å²	221	151.3 Å²	151.3	97%	0.969	74%	0.742	S	S	*	*				-146.4	155	123.4	-88	-63.5	0	0	0	111.3
41	V	22.9	Very low	26.5	Very low	129 Å²	129	151.7 Å²	151.7	78%	0.782	74%	0.735	S	S	*	*			trans	-115.4	156.4	-171.4	153.4	0	0	0	0	107
42	C	22.4	Very low	26.5	Very low	111 Å²	111	148.2 Å²	148.2	75%	0.75	73%	0.73	S	S	*	*			cis	-167.1	165.2	-22.3	-95	0	0	0	0	105.2
43	D	23.3	Very low	26.6	Very low	158 Å²	158	143.6 Å²	143.6	85%	0.845	72%	0.719	S	S	*	*			trans	-162.4	167.8	136.2	-132.8	-31.6	0	0	0	112.4
44	I	24.8	Very low	26.4	Very low	143 Å²	143	144.3 Å²	144.3	73%	0.733	72%	0.715	S	S	*	*			trans	-129.3	162.1	-179.7	-56.2	177	0	0	0	108.6
45	N	22.7	Very low	26.4	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	71%	0.705	S	S	*	*			trans	96.3	139.7	179.5	-60.8	-30.3	0	0	0	114.6
46	E	25.7	Very low	26.2	Very low	160 Å²	160	139.7 Å²	139.7	75%	0.748	70%	0.702	S	S	*	*			cis	-154.5	-178.9	3.3	-117.1	-154.9	-168.6	0	0	111.1
47	P	27.8	Very low	26.7	Very low	43 Å²	43	137.3 Å²	137.3	28%	0.279	69%	0.694	S	S	.	*			trans	-129.6	-132.6	-151.2	42.8	-22	0	0	0	114.5	R80	P47-R80 WeakPolarHBondContact CB-O 3.37Å; P47-R80 PolarHBondContact O-NE 2.8Å; P47-R80 PolarHBondContact O-NH1 2.99Å; P47-R80 VanDerWaalsContact O-NH1 3.15Å; P47-R80 PolarHBondContact O-NH2 2.75Å
48	I	26.9	Very low	26.8	Very low	62 Å²	62	132.3 Å²	132.3	32%	0.318	69%	0.686	S	S	.	*			trans	85.7	137.8	163	4.7	174.6	0	0	0	123.8	R80	I48-R80 PolarHBondContact N-O 3.16Å; I48-R80 VanDerWaalsContact N-O 3.13Å; I48-R80 WeakPolarHBondContact O-CB 2.99Å; I48-R80 VanDerWaalsContact O-CD 3.27Å; I48-R80 WeakPolarHBondContact O-CD 3.25Å; I48-R80 PolarHBondContact O-NH1 3.27Å
49	Y	25.5	Very low	27.1	Very low	136 Å²	136	130.7 Å²	130.7	53%	0.533	68%	0.678	S	S	.	*			trans	74.5	135.3	171.7	-46.4	-62	0	0	0	116.9	N78 R80	Y49-N78 CarbonylContact O-C 3.51Å; Y49-N78 VanDerWaalsContact O-CA 3.29Å; Y49-N78 WeakPolarHBondContact O-CA 3.28Å; Y49-R80 WeakPolarHBondContact O-CB 3.08Å; Y49-R80 PolarHBondContact O-N 3.41Å
50	I	31.4	Very low	27.5	Very low	81 Å²	81	124.3 Å²	124.3	42%	0.415	66%	0.658	S	S	.	*			cis	92.4	150.7	0.4	-39.5	165.2	0	0	0	116.9	N78 L79	I50-N78 WeakPolarHBondContact CA-O 3.42Å; I50-N78 PolarHBondContact N-O 2.92Å; I50-L79 HydrophobicContact CG1-CD2 4.23Å
51	E	29.4	Very low	28	Very low	144 Å²	144	119.4 Å²	119.4	67%	0.673	65%	0.648	S	S	*	*			trans	84	129.1	177	-54.7	-175	148	0	0	114.6
52	D	29.5	Very low	28.5	Very low	136 Å²	136	118.7 Å²	118.7	73%	0.727	64%	0.635	S	S	*	*			cis	-124.4	149.4	9	-87.8	-40.7	0	0	0	112.1
53	Q	28.9	Very low	29.2	Very low	144 Å²	144	119.8 Å²	119.8	67%	0.673	63%	0.633	S	S	*	*				67.5	130.6	56.8	-69.5	-148.6	45.3	0	0	114.6
54	I	25.6	Very low	29.8	Very low	133 Å²	133	119 Å²	119	68%	0.682	63%	0.63	S	S	*	*			cis	-148.2	149	-20.5	-24.5	169.3	0	0	0	106.2
55	T	26.4	Very low	30.5	Very low	115 Å²	115	116.8 Å²	116.8	71%	0.706	62%	0.619	S	S	*	*				162.4	165.6	102	41.2	0	0	0	0	110.4
56	N	27.9	Very low	31.2	Very low	151 Å²	151	114.8 Å²	114.8	81%	0.807	62%	0.615	S	S	*	*			trans	37	119.2	150.9	-64.3	0.4	0	0	0	120.6	D58	N56-D58 PolarHBondContact O-N 2.82Å
57	I	33.1	Very low	31.8	Very low	135 Å²	135	110 Å²	110	69%	0.692	59%	0.594	S	S	*	*			trans	-54.4	123.2	161.9	-61.1	158.1	0	0	0	109.9	C59	I57-C59 VanDerWaalsContact CG2-SG 3.52Å
58	D	33	Very low	32	Very low	142 Å²	142	116.4 Å²	116.4	76%	0.759	61%	0.614	S	S	*	*			trans	-110.7	109.1	163	-174.3	0.9	0	0	0	108.7	N56 G60	N56-D58 PolarHBondContact O-N 2.82Å; D58-G60 VanDerWaalsContact C-N 3.26Å; D58-G60 WeakPolarHBondContact OD1-CA 3.08Å; D58-G60 PolarHBondContact OD1-N 3.31Å
59	C	31.8	Very low	32.3	Very low	87 Å²	87	122.7 Å²	122.7	59%	0.588	63%	0.633	S	S	*	*			trans	-87.6	7.2	175.3	-70.4	0	0	0	0	112.5	I57	I57-C59 VanDerWaalsContact CG2-SG 3.52Å
60	G	34.4	Very low	32.5	Very low	37 Å²	37	126.2 Å²	126.2	38%	0.381	65%	0.646	S	S	.	*			trans	67.9	-166.5	-163.7	0	0	0	0	0	112.1	D58 F62	D58-G60 VanDerWaalsContact C-N 3.26Å; D58-G60 WeakPolarHBondContact OD1-CA 3.08Å; D58-G60 PolarHBondContact OD1-N 3.31Å; G60-F62 PolarHBondContact O-N 3.28Å
61	P	34.6	Very low	32.6	Very low	117 Å²	117	128.2 Å²	128.2	76%	0.76	66%	0.656	S	S	*	*	S	Bend	trans	-78	29.3	-163.7	32.2	-37.5	0	0	0	115.2
62	F	34.1	Very low	32.8	Very low	115 Å²	115	126.5 Å²	126.5	50%	0.504	66%	0.655	S	S	.	*			trans	-138	97.1	-174.2	-60.2	-61.1	0	0	0	113	G60 R98	G60-F62 PolarHBondContact O-N 3.28Å; F62-R98 VanDerWaalsContact CD1-CZ 3.49Å
63	D	35.8	Very low	33	Very low	133 Å²	133	125.8 Å²	125.8	71%	0.711	65%	0.651	S	S	*	*			trans	-51.1	146.3	-177.1	-98.9	-63.4	0	0	0	117.3	N65	D63-N65 VanDerWaalsContact C-N 3.28Å; D63-N65 PolarHBondContact O-N 3.25Å
64	N	36	Very low	33	Very low	143 Å²	143	123.6 Å²	123.6	77%	0.765	64%	0.644	S	S	*	*	S	Bend	trans	59	-11	149.1	-62.2	-51.1	0	0	0	121.6
65	N	39	Very low	33.4	Very low	96 Å²	96	123.8 Å²	123.8	51%	0.513	65%	0.647	S	S	.	*			trans	-115.1	72.3	-171.9	-70.5	-0.5	0	0	0	113.6	D63 Q143	D63-N65 VanDerWaalsContact C-N 3.28Å; D63-N65 PolarHBondContact O-N 3.25Å; N65-Q143 HydrophobicContact CB-CB 4.24Å; N65-Q143 VanDerWaalsContact CG-CD 3.44Å; N65-Q143 VanDerWaalsContact CG-NE2 3.25Å; N65-Q143 VanDerWaalsContact CG-OE1 3.31Å; N65-Q143 PolarHBondContact OD1-NE2 3.09Å; N65-Q143 PolarHBondContact OD1-OE1 3.5Å
66	C	38.2	Very low	33.6	Very low	100 Å²	100	127 Å²	127	68%	0.676	65%	0.654	S	S	*	*			trans	-135.9	133.3	178.7	-155.5	0	0	0	0	111.2
67	I	38.2	Very low	33.9	Very low	59 Å²	59	128.6 Å²	128.6	30%	0.303	66%	0.656	S	S	.	*			trans	-111.4	-32	-147.5	-69.8	170.7	0	0	0	116.1	Q143 F144	I67-Q143 HydrophobicContact CD1-CB 4.1Å; I67-Q143 HydrophobicContact CD1-CG 4.13Å; I67-Q143 WeakPolarHBondContact CD1-O 3.5Å; I67-F144 HydrophobicContact CB-CE1 4.43Å; I67-F144 HydrophobicContact CD1-CD1 3.61Å; I67-F144 HydrophobicContact CD1-CE1 3.87Å; I67-F144 HydrophobicContact CD1-CG 4.12Å; I67-F144 HydrophobicContact CG1-CD1 3.99Å; I67-F144 HydrophobicContact CG1-CE1 3.74Å; I67-F144 HydrophobicContact CG1-CZ 4.41Å; I67-F144 HydrophobicContact CG2-CD1 3.95Å; I67-F144 HydrophobicContact CG2-CE1 3.93Å
68	Y	31.7	Very low	33.6	Very low	178 Å²	178	126.4 Å²	126.4	70%	0.698	65%	0.646	S	S	*	*			trans	-145.8	151.2	174	-80.4	-64.7	0	0	0	112.9	W171	Y68-W171 AromaticContact CE2-CH2 3.87Å; Y68-W171 HydrophobicContact CE2-CH2 3.87Å; Y68-W171 HydrophobicContact CE2-CZ2 4.13Å; Y68-W171 HydrophobicContact CE2-CZ3 4.27Å; Y68-W171 VanDerWaalsContact OH-CH2 3.3Å; Y68-W171 WeakPolarHBondContact OH-CH2 3.08Å
69	R	33.8	Very low	33.7	Very low	194 Å²	194	126.4 Å²	126.4	73%	0.732	65%	0.645	S	S	*	*			trans	-148.7	136.3	-179.1	-177.9	-176.5	-175.1	-171.9	3.6	110
70	R	30.8	Very low	33.6	Very low	211 Å²	211	129.3 Å²	129.3	80%	0.796	64%	0.644	S	S	*	*			trans	-131.9	130.3	161.8	-174.2	175.7	-178.5	171.4	2.7	109.9
71	I	33.2	Very low	33.4	Very low	122 Å²	122	133 Å²	133	63%	0.626	66%	0.655	S	S	*	*			trans	-89.3	124.9	176.8	-58.4	170.6	0	0	0	108.6
72	V	32.5	Very low	33	Very low	109 Å²	109	136.7 Å²	136.7	66%	0.661	66%	0.659	S	S	*	*			trans	-137.1	92.3	160.5	-178.5	0	0	0	0	105.3
73	D	34.4	Very low	32.7	Very low	120 Å²	120	136 Å²	136	64%	0.642	67%	0.674	S	S	*	*			trans	-94	132.9	167.8	-155	-30.6	0	0	0	107.8	N75	D73-N75 PolarHBondContact OD1-N 3.29Å; D73-N75 PolarHBondContact OD1-ND2 2.98Å
74	D	29.4	Very low	32.3	Very low	99 Å²	99	138.2 Å²	138.2	53%	0.529	68%	0.678	S	S	.	*			trans	-134.2	24.2	-170.5	-166.6	44.2	0	0	0	110.8	K87	D74-K87 WeakPolarHBondContact OD1-CE 3.29Å; D74-K87 IonicContact OD1-NZ 2.65Å; D74-K87 PolarHBondContact OD1-NZ 2.83Å; D74-K87 WeakPolarHBondContact OD2-CE 3.23Å; D74-K87 IonicContact OD2-NZ 3.46Å; D74-K87 PolarHBondContact OD2-NZ 2.91Å
75	N	33	Very low	31.9	Very low	136 Å²	136	142.8 Å²	142.8	73%	0.727	69%	0.685	S	S	*	*			trans	-71.2	143.3	168.9	-75.6	-71.9	0	0	0	110.9	D73	D73-N75 PolarHBondContact OD1-N 3.29Å; D73-N75 PolarHBondContact OD1-ND2 2.98Å
76	Q	31.9	Very low	31.4	Very low	183 Å²	183	141.9 Å²	141.9	86%	0.855	69%	0.69	S	S	*	*	S	Bend	trans	-76.9	154.7	179.7	-63.2	174	-55.3	0	0	109.9
77	E	32.9	Very low	30.9	Very low	184 Å²	184	144.6 Å²	144.6	86%	0.86	69%	0.691	S	S	*	*	S	Bend	trans	77.9	133.3	-176.5	-48	-174.3	158.4	0	0	115
78	N	27.8	Very low	30.3	Very low	89 Å²	89	153.6 Å²	153.6	48%	0.476	72%	0.721	S	S	.	*	S	Bend	trans	65.9	38.4	163.3	-68.8	10.5	0	0	0	123	Y49 I50	Y49-N78 CarbonylContact O-C 3.51Å; Y49-N78 VanDerWaalsContact O-CA 3.29Å; Y49-N78 WeakPolarHBondContact O-CA 3.28Å; I50-N78 WeakPolarHBondContact CA-O 3.42Å; I50-N78 PolarHBondContact N-O 2.92Å
79	L	34.5	Very low	30.8	Very low	142 Å²	142	151.1 Å²	151.1	74%	0.743	73%	0.727	S	S	*	*			trans	-131.3	59.8	150.5	-82	-175.6	0	0	0	113.2	I50 N81	I50-L79 HydrophobicContact CG1-CD2 4.23Å; L79-N81 PolarHBondContact O-N 3.16Å
80	R	30	Very low	30.6	Very low	148 Å²	148	145 Å²	145	56%	0.558	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	48.5	-168.9	-156.3	158.4	148.4	-132.5	5.6	113.8	P47 I48 Y49	P47-R80 WeakPolarHBondContact CB-O 3.37Å; P47-R80 PolarHBondContact O-NE 2.8Å; P47-R80 PolarHBondContact O-NH1 2.99Å; P47-R80 VanDerWaalsContact O-NH1 3.15Å; P47-R80 PolarHBondContact O-NH2 2.75Å; I48-R80 PolarHBondContact N-O 3.16Å; I48-R80 VanDerWaalsContact N-O 3.13Å; I48-R80 WeakPolarHBondContact O-CB 2.99Å; I48-R80 VanDerWaalsContact O-CD 3.27Å; I48-R80 WeakPolarHBondContact O-CD 3.25Å; I48-R80 PolarHBondContact O-NH1 3.27Å; Y49-R80 WeakPolarHBondContact O-CB 3.08Å; Y49-R80 PolarHBondContact O-N 3.41Å
81	N	29.1	Very low	30.7	Very low	115 Å²	115	144.1 Å²	144.1	62%	0.615	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.3	6.6	177.1	-117.2	-7.6	0	0	0	116.5	L79	L79-N81 PolarHBondContact O-N 3.16Å
82	K	26.3	Very low	31	Very low	195 Å²	195	141.7 Å²	141.7	85%	0.848	71%	0.709	S	S	*	*			trans	-138.8	53	178.2	-75.6	-168.2	175.5	179.5	0	114.4
83	A	27.5	Very low	31.2	Very low	100 Å²	100	141.9 Å²	141.9	83%	0.826	71%	0.71	S	S	*	*			trans	-102.5	49.4	-178.3	0	0	0	0	0	114.3
84	F	28.8	Very low	31.4	Very low	179 Å²	179	139.1 Å²	139.1	79%	0.785	70%	0.695	S	S	*	*			trans	-134.4	149.6	164.8	-93.3	-101	0	0	0	108.9
85	W	26	Very low	31.7	Very low	239 Å²	239	138.6 Å²	138.6	91%	0.905	69%	0.692	S	S	*	*	S	Bend	trans	68.1	67.5	172.6	-40.7	99.8	0	0	0	118.8
86	A	28.5	Very low	31.8	Very low	77 Å²	77	134.2 Å²	134.2	64%	0.636	68%	0.68	S	S	*	*			trans	162.3	90.7	131.4	0	0	0	0	0	113.4
87	K	28.5	Very low	32.3	Very low	158 Å²	158	127.6 Å²	127.6	69%	0.687	66%	0.656	S	S	*	*			trans	-152.1	74.3	169.6	-142.5	166.2	-174.9	170.6	0	115	D74	D74-K87 WeakPolarHBondContact OD1-CE 3.29Å; D74-K87 IonicContact OD1-NZ 2.65Å; D74-K87 PolarHBondContact OD1-NZ 2.83Å; D74-K87 WeakPolarHBondContact OD2-CE 3.23Å; D74-K87 IonicContact OD2-NZ 3.46Å; D74-K87 PolarHBondContact OD2-NZ 2.91Å
88	R	26	Very low	32.7	Very low	247 Å²	247	124.4 Å²	124.4	93%	0.932	64%	0.636	S	S	*	*			trans	-145.7	153.6	152.5	-80.5	-152.3	175.6	-163.4	-0.9	110.5
89	P	41.3	Very low	33.4	Very low	127 Å²	127	122 Å²	122	83%	0.825	62%	0.623	S	S	*	*			trans	-112.9	164.2	-152.4	39.8	-30.8	0	0	0	114.9
90	G	31.3	Very low	33.9	Very low	64 Å²	64	119.2 Å²	119.2	66%	0.66	61%	0.612	S	S	*	*			trans	156.8	11.6	166.1	0	0	0	0	0	120.2
91	Y	31.8	Very low	34.5	Very low	194 Å²	194	116.2 Å²	116.2	76%	0.761	60%	0.603	S	S	*	*			trans	-140.7	146.8	-171.5	-59.9	-80.8	0	0	0	114.3
92	I	39.2	Very low	34.9	Very low	71 Å²	71	114.3 Å²	114.3	36%	0.364	59%	0.587	S	S	.	*			trans	-77.8	144.6	168.7	-59.5	172.2	0	0	0	109.1	I165	I92-I165 HydrophobicContact CD1-CG2 4.26Å
93	V	36.1	Very low	35.6	Very low	112 Å²	112	106.1 Å²	106.1	68%	0.679	55%	0.554	S	S	*	*			trans	-108.7	125.5	175.9	-177.3	0	0	0	0	109.6
94	L	40	Very low	36.1	Very low	62 Å²	62	106.4 Å²	106.4	33%	0.325	54%	0.541	S	S	.	.			trans	-81.9	141.9	173.3	-69	169.3	0	0	0	110.7	I119 Y168	L94-I119 HydrophobicContact CD2-CG1 4.23Å; L94-I119 HydrophobicContact CD2-CG2 4.16Å; L94-Y168 WeakPolarHBondContact CD1-O 3.34Å
95	D	35.4	Very low	36.8	Very low	88 Å²	88	103.5 Å²	103.5	47%	0.471	53%	0.525	S	S	.	.			trans	-137.8	72.3	-168.4	-154.6	13.8	0	0	0	111.1
96	G	35.6	Very low	37.1	Very low	45 Å²	45	95.5 Å²	95.5	46%	0.464	50%	0.502	S	S	.	.			trans	95.2	162.6	172.2	0	0	0	0	0	117.4
97	A	41.4	Very low	37.6	Very low	44 Å²	44	97 Å²	97	36%	0.364	50%	0.499	S	S	.	.			trans	-154	149.1	176.3	0	0	0	0	0	109.4	L117	A97-L117 HydrophobicContact CB-CD1 3.54Å
98	R	41	Very low	38.3	Very low	116 Å²	116	94.5 Å²	94.5	44%	0.438	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	125	-177.2	-170.6	-179.4	171.2	-147.9	-1	116.6	F62 V115 S116	F62-R98 VanDerWaalsContact CD1-CZ 3.49Å; R98-V115 WeakPolarHBondContact O-CG1 3.3Å; R98-S116 CarbonylContact C-O 3.42Å; R98-S116 PolarHBondContact N-O 2.04Å; R98-S116 VanDerWaalsContact N-O 3.09Å; R98-S116 PolarHBondContact O-N 3.48Å; R98-S116 VanDerWaalsContact O-N 3.16Å
99	I	42.9	Very low	38.9	Very low	38 Å²	38	83.4 Å²	83.4	20%	0.195	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.1	173.2	-64.7	126	0	0	0	112.7	V115 I141 N142 F147	I99-V115 HydrophobicContact CB-CG2 4.25Å; I99-V115 HydrophobicContact CG1-CG1 3.96Å; I99-V115 HydrophobicContact CG1-CG2 3.88Å; I99-V115 HydrophobicContact CG2-CG2 4.16Å; I99-I141 HydrophobicContact CB-CG2 4.4Å; I99-I141 HydrophobicContact CD1-CG2 3.56Å; I99-I141 HydrophobicContact CG1-CG2 3.66Å; I99-I141 HydrophobicContact CG2-CB 4.44Å; I99-I141 HydrophobicContact CG2-CG2 3.95Å; I99-N142 WeakPolarHBondContact CD1-O 3.43Å; I99-F147 HydrophobicContact CD1-CZ 3.85Å; I99-F147 HydrophobicContact CG1-CE1 4.12Å; I99-F147 HydrophobicContact CG1-CZ 3.56Å
100	V	45	Very low	38.8	Very low	84 Å²	84	78.2 Å²	78.2	51%	0.509	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-34.9	-166.9	-168.3	0	0	0	0	114.3	H114	V100-H114 PolarHBondContact N-O 3.35Å
101	K	42.6	Very low	39.5	Very low	85 Å²	85	75.3 Å²	75.3	37%	0.37	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	155.9	-175.7	-152.6	153.6	-171.8	177.4	0	118.5	Y113 H114 D183 K184	K101-Y113 CarbonylContact O-C 3.22Å; K101-Y113 WeakPolarHBondContact O-CA 3.3Å; K101-Y113 WeakPolarHBondContact O-CB 3.12Å; K101-Y113 WeakPolarHBondContact O-CD1 3.06Å; K101-Y113 VanDerWaalsContact O-CG 3.28Å; K101-H114 PolarHBondContact N-O 2.03Å; K101-H114 VanDerWaalsContact N-O 3.12Å; K101-H114 PolarHBondContact O-N 2.72Å; K101-H114 VanDerWaalsContact O-N 3.1Å; K101-D183 WeakPolarHBondContact CE-O 3.48Å; K101-D183 PolarHBondContact NZ-O 3.41Å; K101-K184 WeakPolarHBondContact CE-O 3.48Å; K101-K184 PolarHBondContact NZ-O 3.22Å
102	R	37.2	Very low	40.2	Very low	75 Å²	75	66.7 Å²	66.7	28%	0.283	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	161.5	171.8	-166.4	-175.9	-166.5	-165.1	21.5	110.3	Y113 V139 E140 Y179	R102-Y113 HydrophobicContact CB-CD1 3.69Å; R102-Y113 HydrophobicContact CB-CE1 3.56Å; R102-Y113 HydrophobicContact CB-CG 4.31Å; R102-Y113 VanDerWaalsContact CD-CZ 3.42Å; R102-Y113 WeakPolarHBondContact CD-OH 3.46Å; R102-Y113 HydrophobicContact CG-CD1 3.93Å; R102-Y113 HydrophobicContact CG-CD2 4.25Å; R102-Y113 HydrophobicContact CG-CE1 3.45Å; R102-Y113 VanDerWaalsContact CG-CE1 3.45Å; R102-Y113 HydrophobicContact CG-CE2 3.76Å; R102-Y113 HydrophobicContact CG-CG 4.34Å; R102-Y113 VanDerWaalsContact CG-CZ 3.41Å; R102-Y113 VanDerWaalsContact NE-CZ 3.32Å; R102-Y113 PolarHBondContact NE-OH 2.89Å; R102-Y113 PolarHBondContact NH2-OH 3.05Å; R102-V139 PolarHBondContact NH2-O 3.21Å; R102-E140 VanDerWaalsContact CZ-CG 3.42Å; R102-E140 IonicContact CZ-OE1 2.71Å; R102-E140 IonicContact NH1-OE1 2.72Å; R102-E140 PolarHBondContact NH1-OE1 2.73Å; R102-Y179 HydrophobicContact CG-CE2 3.88Å; R102-Y179 PolarHBondContact NE-OH 2.81Å
103	T	42.6	Very low	40.4	Very low	24 Å²	24	63.7 Å²	63.7	15%	0.147	34%	0.336	C	S	.	.			trans	-133.4	-146.2	163.6	87.4	0	0	0	0	110.4	Y179 P180 C181	T103-Y179 HydrophobicContact CG2-CD2 4.42Å; T103-Y179 WeakPolarHBondContact O-CE2 3.42Å; T103-Y179 PolarHBondContact O-OH 2.84Å; T103-Y179 VanDerWaalsContact OG1-CB 3.28Å; T103-Y179 WeakPolarHBondContact OG1-CB 3.41Å; T103-Y179 WeakPolarHBondContact OG1-CD2 3.28Å; T103-P180 WeakPolarHBondContact OG1-CA 2.99Å; T103-P180 PolarHBondContact OG1-O 3.47Å; T103-C181 PolarHBondContact OG1-N 2.64Å
104	N	37.6	Very low	40.9	Very low	106 Å²	106	60.9 Å²	60.9	57%	0.567	32%	0.316	S	S	*	.			trans	-160.8	105.3	172.3	-163.7	12.1	0	0	0	117.5	P180 C181	N104-P180 CarbonylContact C-O 3.47Å; N104-P180 PolarHBondContact N-O 2.78Å; N104-C181 CarbonylContact C-O 3.31Å; N104-C181 WeakPolarHBondContact CA-O 3.12Å; N104-C181 WeakPolarHBondContact CB-O 3.21Å; N104-C181 VanDerWaalsContact N-C 3.25Å; N104-C181 PolarHBondContact N-O 3.16Å; N104-C181 VanDerWaalsContact N-O 3.13Å
105	R	42.2	Very low	41.2	Very low	118 Å²	118	58 Å²	58	45%	0.445	30%	0.301	S	S	.	.			trans	-152.6	163.1	171.4	168.4	66	76.6	90.2	1.4	110.2	Y179 P180	R105-Y179 HydrophobicContact CB-CD1 4.13Å; R105-Y179 VanDerWaalsContact N-CD1 3.3Å; R105-Y179 WeakPolarHBondContact O-CD1 3.49Å; R105-Y179 WeakPolarHBondContact O-CE1 3.45Å; R105-P180 VanDerWaalsContact CB-CD 3.41Å; R105-P180 WeakPolarHBondContact CB-O 3.18Å; R105-P180 PolarHBondContact N-O 2.69Å
106	V	33.7	Very low	41.7	Very low	70 Å²	70	55.1 Å²	55.1	42%	0.424	29%	0.288	S	S	.	.			trans	-139.7	132.6	164.7	167.2	0	0	0	0	109.5	G109 I111	V106-G109 VanDerWaalsContact CG1-CA 3.5Å; V106-G109 VanDerWaalsContact CG1-N 3.29Å; V106-I111 HydrophobicContact CG2-CG1 4.42Å
107	I	38.8	Very low	42.2	Very low	110 Å²	110	53.8 Å²	53.8	56%	0.564	27%	0.27	S	S	*	.	S	Bend	trans	-132.1	112.4	157.6	-58.9	177.6	0	0	0	106.3	G109 T110	I107-G109 VanDerWaalsContact C-N 3.32Å; I107-G109 PolarHBondContact O-N 2.89Å; I107-T110 PolarHBondContact N-OG1 3.41Å; I107-T110 VanDerWaalsContact N-OG1 3.09Å; I107-T110 WeakPolarHBondContact O-CB 3.49Å; I107-T110 WeakPolarHBondContact O-CG2 3.41Å; I107-T110 PolarHBondContact O-OG1 3.5Å
108	K	42.5	Very low	42.5	Very low	105 Å²	105	55 Å²	55	46%	0.457	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	43.9	-169.2	-66.2	-175.4	167.6	179.1	0	114.1	C298 E299 E300	K108-C298 PolarHBondContact NZ-O 2.81Å; K108-E299 PolarHBondContact NZ-O 2.71Å; K108-E300 PolarHBondContact NZ-O 2.84Å
109	G	39.5	Very low	42.8	Very low	14 Å²	14	49.6 Å²	49.6	14%	0.144	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-0.1	173.5	0	0	0	0	0	117.2	V106 I107 I111 F136 S137	V106-G109 VanDerWaalsContact CG1-CA 3.5Å; V106-G109 VanDerWaalsContact CG1-N 3.29Å; I107-G109 VanDerWaalsContact C-N 3.32Å; I107-G109 PolarHBondContact O-N 2.89Å; G109-I111 VanDerWaalsContact O-CG1 3.24Å; G109-I111 WeakPolarHBondContact O-CG1 3.27Å; G109-F136 CarbonylContact O-C 3.52Å; G109-F136 WeakPolarHBondContact O-CA 3.43Å; G109-S137 PolarHBondContact O-N 3.46Å; G109-S137 VanDerWaalsContact O-N 3.15Å
110	T	39.3	Very low	42.9	Very low	18 Å²	18	48.7 Å²	48.7	11%	0.11	25%	0.247	C	C	.	.			trans	-87.2	129.3	-150	53.9	0	0	0	0	117	I107 Y178	I107-T110 PolarHBondContact N-OG1 3.41Å; I107-T110 VanDerWaalsContact N-OG1 3.09Å; I107-T110 WeakPolarHBondContact O-CB 3.49Å; I107-T110 WeakPolarHBondContact O-CG2 3.41Å; I107-T110 PolarHBondContact O-OG1 3.5Å; T110-Y178 VanDerWaalsContact CB-CD2 3.43Å; T110-Y178 HydrophobicContact CG2-CD1 3.93Å; T110-Y178 HydrophobicContact CG2-CD2 3.86Å; T110-Y178 HydrophobicContact CG2-CE1 3.42Å; T110-Y178 VanDerWaalsContact CG2-CE1 3.42Å; T110-Y178 HydrophobicContact CG2-CE2 3.34Å; T110-Y178 HydrophobicContact CG2-CG 4.18Å
111	I	44.8	Very low	42.8	Very low	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-145.6	129.6	-149.9	-82.8	-96.2	0	0	0	112.8	V106 G109 Y113 K134 A135 Y175 Y179	V106-I111 HydrophobicContact CG2-CG1 4.42Å; G109-I111 VanDerWaalsContact O-CG1 3.24Å; G109-I111 WeakPolarHBondContact O-CG1 3.27Å; I111-Y113 HydrophobicContact CG2-CE2 4.38Å; I111-K134 CarbonylContact O-C 3.25Å; I111-K134 VanDerWaalsContact O-CA 3.24Å; I111-K134 WeakPolarHBondContact O-CA 3.5Å; I111-A135 HydrophobicContact CG2-CB 3.9Å; I111-A135 PolarHBondContact O-N 3.14Å; I111-Y175 HydrophobicContact CG2-CE1 3.47Å; I111-Y175 VanDerWaalsContact CG2-CE1 3.47Å; I111-Y175 WeakPolarHBondContact CG2-OH 3.41Å; I111-Y175 WeakPolarHBondContact O-CD1 3.47Å; I111-Y175 WeakPolarHBondContact O-CE1 3.28Å; I111-Y179 HydrophobicContact CB-CE1 4.37Å; I111-Y179 HydrophobicContact CD1-CE1 3.71Å; I111-Y179 WeakPolarHBondContact CD1-OH 3.35Å; I111-Y179 HydrophobicContact CG1-CE1 4.12Å
112	N	46.8	Very low	42.7	Very low	12 Å²	12	46 Å²	46	6%	0.064	24%	0.241	C	C	.	.			trans	-144.1	149.3	-170.2	171.6	98.5	0	0	0	117.8	V133 Y178 Y179	N112-V133 WeakPolarHBondContact CA-O 3.48Å; N112-V133 WeakPolarHBondContact CB-O 3.45Å; N112-V133 PolarHBondContact OD1-N 3.22Å; N112-V133 PolarHBondContact OD1-O 2.61Å; N112-Y178 WeakPolarHBondContact CB-O 3.44Å; N112-Y178 PolarHBondContact OD1-N 2.93Å; N112-Y178 VanDerWaalsContact OD1-N 3.15Å; N112-Y178 PolarHBondContact OD1-O 2.99Å; N112-Y179 HydrophobicContact CB-CD2 3.82Å; N112-Y179 HydrophobicContact CB-CG 3.87Å; N112-Y179 VanDerWaalsContact N-CD2 3.35Å; N112-Y179 WeakPolarHBondContact O-CD2 3.3Å; N112-Y179 WeakPolarHBondContact O-CE2 3Å
113	Y	43	Very low	43	Very low	8 Å²	8	50.3 Å²	50.3	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-156.8	-179.6	-74.2	-115.3	0	0	0	110.7	K101 R102 I111 V133 V139 E140 I141 Y175	K101-Y113 CarbonylContact O-C 3.22Å; K101-Y113 WeakPolarHBondContact O-CA 3.3Å; K101-Y113 WeakPolarHBondContact O-CB 3.12Å; K101-Y113 WeakPolarHBondContact O-CD1 3.06Å; K101-Y113 VanDerWaalsContact O-CG 3.28Å; R102-Y113 HydrophobicContact CB-CD1 3.69Å; R102-Y113 HydrophobicContact CB-CE1 3.56Å; R102-Y113 HydrophobicContact CB-CG 4.31Å; R102-Y113 VanDerWaalsContact CD-CZ 3.42Å; R102-Y113 WeakPolarHBondContact CD-OH 3.46Å; R102-Y113 HydrophobicContact CG-CD1 3.93Å; R102-Y113 HydrophobicContact CG-CD2 4.25Å; R102-Y113 HydrophobicContact CG-CE1 3.45Å; R102-Y113 VanDerWaalsContact CG-CE1 3.45Å; R102-Y113 HydrophobicContact CG-CE2 3.76Å; R102-Y113 HydrophobicContact CG-CG 4.34Å; R102-Y113 VanDerWaalsContact CG-CZ 3.41Å; R102-Y113 VanDerWaalsContact NE-CZ 3.32Å; R102-Y113 PolarHBondContact NE-OH 2.89Å; R102-Y113 PolarHBondContact NH2-OH 3.05Å; I111-Y113 HydrophobicContact CG2-CE2 4.38Å; Y113-V133 VanDerWaalsContact CA-CG2 3.4Å; Y113-V133 WeakPolarHBondContact O-CG2 3.33Å; Y113-V139 PolarHBondContact OH-O 2.04Å; Y113-E140 VanDerWaalsContact OH-CA 3.24Å; Y113-E140 WeakPolarHBondContact OH-CA 3.4Å; Y113-I141 HydrophobicContact CD1-CB 3.85Å; Y113-I141 HydrophobicContact CD1-CD1 3.38Å; Y113-I141 HydrophobicContact CD1-CG1 3.59Å; Y113-I141 HydrophobicContact CD2-CD1 3.76Å; Y113-I141 HydrophobicContact CD2-CG1 4.03Å; Y113-I141 HydrophobicContact CE1-CB 3.51Å; Y113-I141 HydrophobicContact CE1-CD1 3.83Å; Y113-I141 HydrophobicContact CE1-CG1 3.43Å; Y113-I141 VanDerWaalsContact CE1-CG1 3.43Å; Y113-I141 HydrophobicContact CE2-CD1 4.22Å; Y113-I141 HydrophobicContact CE2-CG1 3.97Å; Y113-I141 HydrophobicContact CG-CD1 3.31Å; Y113-I141 HydrophobicContact CG-CG1 3.86Å; Y113-I141 PolarHBondContact OH-N 2.97Å; Y113-Y175 HydrophobicContact CD2-CD1 4.12Å; Y113-Y175 AromaticContact CD2-CE1 3.25Å; Y113-Y175 HydrophobicContact CD2-CE1 3.25Å; Y113-Y175 HydrophobicContact CD2-CE2 4.3Å; Y113-Y175 AromaticContact CD2-CZ 3.41Å; Y113-Y175 VanDerWaalsContact CD2-CZ 3.41Å; Y113-Y175 WeakPolarHBondContact CD2-OH 3.17Å; Y113-Y175 AromaticContact CE2-CE1 3.62Å; Y113-Y175 HydrophobicContact CE2-CE1 3.62Å; Y113-Y175 HydrophobicContact CE2-CE2 4.43Å; Y113-Y175 AromaticContact CE2-CZ 3.41Å; Y113-Y175 VanDerWaalsContact CE2-CZ 3.41Å; Y113-Y175 WeakPolarHBondContact CE2-OH 3.41Å; Y113-Y175 HydrophobicContact CG-CE1 4.29Å
114	H	46.1	Very low	42.9	Very low	53 Å²	53	53 Å²	53	25%	0.245	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	146.3	154.9	-85.7	-86.4	0	0	0	107.7	V100 K101 Y131 T132	V100-H114 PolarHBondContact N-O 3.35Å; K101-H114 PolarHBondContact N-O 2.03Å; K101-H114 VanDerWaalsContact N-O 3.12Å; K101-H114 PolarHBondContact O-N 2.72Å; K101-H114 VanDerWaalsContact O-N 3.1Å; H114-Y131 PolarHBondContact ND1-O 2.7Å; H114-Y131 VanDerWaalsContact ND1-O 3.13Å; H114-T132 WeakPolarHBondContact CE1-CG2 3.43Å; H114-T132 PolarHBondContact CE1-OG1 2.79Å; H114-T132 PolarHBondContact ND1-OG1 3.41Å
115	V	46.8	Very low	43	Very low	2 Å²	2	51.6 Å²	51.6	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.3	-171.6	-179.1	0	0	0	0	111.8	R98 I99 N130 Y131 F147	R98-V115 WeakPolarHBondContact O-CG1 3.3Å; I99-V115 HydrophobicContact CB-CG2 4.25Å; I99-V115 HydrophobicContact CG1-CG1 3.96Å; I99-V115 HydrophobicContact CG1-CG2 3.88Å; I99-V115 HydrophobicContact CG2-CG2 4.16Å; V115-N130 WeakPolarHBondContact O-CA 3.46Å; V115-Y131 HydrophobicContact CB-CD2 4.35Å; V115-Y131 HydrophobicContact CB-CE2 3.55Å; V115-Y131 HydrophobicContact CG1-CE2 3.9Å; V115-Y131 WeakPolarHBondContact CG1-OH 3.23Å; V115-Y131 HydrophobicContact CG2-CE2 4.48Å; V115-Y131 PolarHBondContact O-N 3.32Å; V115-F147 HydrophobicContact CB-CD1 4.31Å; V115-F147 HydrophobicContact CB-CE1 4.13Å; V115-F147 HydrophobicContact CB-CZ 4.42Å; V115-F147 HydrophobicContact CG1-CD1 4.04Å; V115-F147 HydrophobicContact CG1-CD2 4.02Å; V115-F147 HydrophobicContact CG1-CE1 3.69Å; V115-F147 HydrophobicContact CG1-CE2 3.66Å; V115-F147 HydrophobicContact CG1-CG 4.2Å; V115-F147 HydrophobicContact CG1-CZ 3.51Å; V115-F147 HydrophobicContact CG2-CD1 4.25Å; V115-F147 HydrophobicContact CG2-CE1 3.76Å; V115-F147 HydrophobicContact CG2-CZ 4.25Å
116	S	45.6	Very low	43.1	Very low	27 Å²	27	52 Å²	52	19%	0.189	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.8	179.4	-61.5	0	0	0	0	112	R98 L129 N130	R98-S116 CarbonylContact C-O 3.42Å; R98-S116 PolarHBondContact N-O 2.04Å; R98-S116 VanDerWaalsContact N-O 3.09Å; R98-S116 PolarHBondContact O-N 3.48Å; R98-S116 VanDerWaalsContact O-N 3.16Å; S116-L129 CarbonylContact C-O 3.38Å; S116-L129 VanDerWaalsContact CA-O 3.31Å; S116-L129 WeakPolarHBondContact CA-O 3.04Å; S116-N130 VanDerWaalsContact CB-OD1 3.24Å; S116-N130 WeakPolarHBondContact CB-OD1 3.39Å; S116-N130 PolarHBondContact OG-OD1 2.77Å
117	L	47.8	Very low	43.5	Very low	18 Å²	18	50.2 Å²	50.2	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.6	175.2	-171.6	83.6	0	0	0	109.8	A97 I119 N128 L129 Y131 F149	A97-L117 HydrophobicContact CB-CD1 3.54Å; L117-I119 HydrophobicContact CD2-CD1 4.08Å; L117-I119 HydrophobicContact CD2-CG1 3.98Å; L117-I119 HydrophobicContact CG-CG1 4.45Å; L117-N128 CarbonylContact O-C 3.54Å; L117-N128 WeakPolarHBondContact O-CA 3.24Å; L117-N128 PolarHBondContact O-OD1 3.26Å; L117-L129 HydrophobicContact CB-CB 4.28Å; L117-L129 HydrophobicContact CD2-CD1 4.28Å; L117-L129 PolarHBondContact N-O 2.96Å; L117-L129 PolarHBondContact O-N 2.73Å; L117-Y131 HydrophobicContact CB-CE1 4.39Å; L117-F149 HydrophobicContact CD2-CZ 4.39Å
118	L	47.1	Very low	44	Very low	70 Å²	70	49.4 Å²	49.4	37%	0.366	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.3	168.1	-107.8	75.2	0	0	0	109.9	Y126 M127 N128	L118-Y126 HydrophobicContact CD2-CD1 4.03Å; L118-Y126 HydrophobicContact CD2-CG 4.12Å; L118-M127 CarbonylContact C-O 3.31Å; L118-M127 WeakPolarHBondContact CA-O 3.02Å; L118-N128 HydrophobicContact CD1-CB 3.83Å; L118-N128 VanDerWaalsContact CD1-CG 3.46Å
119	I	47.8	Very low	44.2	Very low	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111	171.8	-59.7	178.8	0	0	0	107.5	L94 L117 L121 Y126 M127 L129 I167	L94-I119 HydrophobicContact CD2-CG1 4.23Å; L94-I119 HydrophobicContact CD2-CG2 4.16Å; L117-I119 HydrophobicContact CD2-CD1 4.08Å; L117-I119 HydrophobicContact CD2-CG1 3.98Å; L117-I119 HydrophobicContact CG-CG1 4.45Å; I119-L121 HydrophobicContact CG2-CD2 3.81Å; I119-L121 HydrophobicContact CG2-CG 4.45Å; I119-Y126 CarbonylContact O-C 3.4Å; I119-Y126 VanDerWaalsContact O-CA 3.32Å; I119-Y126 WeakPolarHBondContact O-CA 3.24Å; I119-M127 HydrophobicContact CB-CB 4.45Å; I119-M127 PolarHBondContact N-O 3.5Å; I119-M127 PolarHBondContact O-N 2.68Å; I119-L129 HydrophobicContact CD1-CD1 3.64Å; I119-L129 HydrophobicContact CG1-CD1 4.29Å; I119-I167 HydrophobicContact CD1-CD1 4.29Å
120	S	43.3	Very low	44.6	Very low	19 Å²	19	50.2 Å²	50.2	13%	0.133	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.6	165.8	-173.1	0	0	0	0	109.2
121	L	44.1	Very low	45	Very low	80 Å²	80	50.1 Å²	50.1	42%	0.419	28%	0.28	S	S	.	.			trans	-104.1	8.2	176.3	-61.3	174.2	0	0	0	111.8	I119 T125 M127 T161	I119-L121 HydrophobicContact CG2-CD2 3.81Å; I119-L121 HydrophobicContact CG2-CG 4.45Å; L121-T125 PolarHBondContact N-O 3.01Å; L121-M127 HydrophobicContact CD1-CB 4.47Å; L121-T161 HydrophobicContact CD1-CG2 4.39Å
122	G	40.2	Very low	45	Very low	34 Å²	34	52.4 Å²	52.4	35%	0.351	29%	0.294	S	S	.	.	S	Bend	trans	91.1	170.2	-167.6	0	0	0	0	0	112.8	A124 T125	G122-A124 PolarHBondContact O-N 2.69Å; G122-A124 VanDerWaalsContact O-N 3.09Å; G122-T125 PolarHBondContact O-N 3.41Å; G122-T125 PolarHBondContact O-OG1 2.99Å
123	N	42.5	Very low	45.1	Very low	165 Å²	165	52 Å²	52	88%	0.882	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	42.6	178	-68.2	-4.6	0	0	0	114.9	T125	N123-T125 PolarHBondContact O-N 3.07Å; N123-T125 VanDerWaalsContact O-N 3.09Å
124	A	40.8	Very low	44.9	Very low	80 Å²	80	55 Å²	55	66%	0.661	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	20.5	-178.5	0	0	0	0	0	115.5	G122 Y126	G122-A124 PolarHBondContact O-N 2.69Å; G122-A124 VanDerWaalsContact O-N 3.09Å; A124-Y126 HydrophobicContact CB-CE2 4.46Å; A124-Y126 VanDerWaalsContact O-CD2 3.28Å; A124-Y126 WeakPolarHBondContact O-CD2 3.4Å; A124-Y126 WeakPolarHBondContact O-CE2 3.42Å
125	T	39.8	Very low	44.8	Very low	76 Å²	76	53.1 Å²	53.1	47%	0.466	30%	0.299	S	S	.	.			trans	-93.3	127.5	172.4	61.2	0	0	0	0	110.4	L121 G122 N123	L121-T125 PolarHBondContact N-O 3.01Å; G122-T125 PolarHBondContact O-N 3.41Å; G122-T125 PolarHBondContact O-OG1 2.99Å; N123-T125 PolarHBondContact O-N 3.07Å; N123-T125 VanDerWaalsContact O-N 3.09Å
126	Y	44.2	Very low	44.4	Very low	128 Å²	128	59.3 Å²	59.3	50%	0.502	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.4	-177	-56.7	-90.4	0	0	0	110.6	L118 I119 A124	L118-Y126 HydrophobicContact CD2-CD1 4.03Å; L118-Y126 HydrophobicContact CD2-CG 4.12Å; I119-Y126 CarbonylContact O-C 3.4Å; I119-Y126 VanDerWaalsContact O-CA 3.32Å; I119-Y126 WeakPolarHBondContact O-CA 3.24Å; A124-Y126 HydrophobicContact CB-CE2 4.46Å; A124-Y126 VanDerWaalsContact O-CD2 3.28Å; A124-Y126 WeakPolarHBondContact O-CD2 3.4Å; A124-Y126 WeakPolarHBondContact O-CE2 3.42Å
127	M	43.4	Very low	44.1	Very low	31 Å²	31	60.7 Å²	60.7	15%	0.153	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.2	168.6	169.8	166.9	-82.2	0	0	109.4	L118 I119 L121 L129 L157 E160 T161	L118-M127 CarbonylContact C-O 3.31Å; L118-M127 WeakPolarHBondContact CA-O 3.02Å; I119-M127 HydrophobicContact CB-CB 4.45Å; I119-M127 PolarHBondContact N-O 3.5Å; I119-M127 PolarHBondContact O-N 2.68Å; L121-M127 HydrophobicContact CD1-CB 4.47Å; M127-L129 HydrophobicContact CG-CD1 4.23Å; M127-L129 HydrophobicContact CG-CD2 4.46Å; M127-L129 HydrophobicContact CG-CG 4.06Å; M127-L129 HydrophobicContact SD-CD1 4.4Å; M127-L129 HydrophobicContact SD-CD2 4.41Å; M127-L129 HydrophobicContact SD-CG 4.48Å; M127-L157 HydrophobicContact SD-CD2 3.6Å; M127-L157 VanDerWaalsContact SD-CD2 3.6Å; M127-L157 HydrophobicContact SD-CG 4.44Å; M127-E160 HydrophobicContact CE-CB 4.09Å; M127-T161 HydrophobicContact CE-CG2 3.5Å; M127-T161 VanDerWaalsContact CE-CG2 3.5Å; M127-T161 HydrophobicContact SD-CG2 3.81Å
128	N	48	Very low	43.7	Very low	94 Å²	94	67.3 Å²	67.3	50%	0.503	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.1	178.6	-170.1	0.7	0	0	0	111.1	L117 L118 N130	L117-N128 CarbonylContact O-C 3.54Å; L117-N128 WeakPolarHBondContact O-CA 3.24Å; L117-N128 PolarHBondContact O-OD1 3.26Å; L118-N128 HydrophobicContact CD1-CB 3.83Å; L118-N128 VanDerWaalsContact CD1-CG 3.46Å; N128-N130 PolarHBondContact OD1-OD1 3.38Å
129	L	47	Very low	43.3	Very low	25 Å²	25	67.9 Å²	67.9	13%	0.131	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.9	-169.6	-70.4	156.5	0	0	0	110.8	S116 L117 I119 M127 Y131 F149 L157	S116-L129 CarbonylContact C-O 3.38Å; S116-L129 VanDerWaalsContact CA-O 3.31Å; S116-L129 WeakPolarHBondContact CA-O 3.04Å; L117-L129 HydrophobicContact CB-CB 4.28Å; L117-L129 HydrophobicContact CD2-CD1 4.28Å; L117-L129 PolarHBondContact N-O 2.96Å; L117-L129 PolarHBondContact O-N 2.73Å; I119-L129 HydrophobicContact CD1-CD1 3.64Å; I119-L129 HydrophobicContact CG1-CD1 4.29Å; M127-L129 HydrophobicContact CG-CD1 4.23Å; M127-L129 HydrophobicContact CG-CD2 4.46Å; M127-L129 HydrophobicContact CG-CG 4.06Å; M127-L129 HydrophobicContact SD-CD1 4.4Å; M127-L129 HydrophobicContact SD-CD2 4.41Å; M127-L129 HydrophobicContact SD-CG 4.48Å; L129-Y131 VanDerWaalsContact O-CE1 3.28Å; L129-Y131 WeakPolarHBondContact O-CE1 3.5Å; L129-F149 HydrophobicContact CB-CE1 4.05Å; L129-F149 HydrophobicContact CB-CZ 4.1Å; L129-F149 HydrophobicContact CD1-CZ 4.22Å; L129-F149 HydrophobicContact CD2-CE1 4.42Å; L129-L157 HydrophobicContact CD1-CD1 3.96Å; L129-L157 HydrophobicContact CD1-CD2 4.13Å; L129-L157 HydrophobicContact CD1-CG 4.28Å; L129-L157 HydrophobicContact CD2-CD1 3.84Å; L129-L157 HydrophobicContact CD2-CD2 4.34Å; L129-L157 HydrophobicContact CD2-CG 3.81Å
130	N	48	Very low	42.9	Very low	111 Å²	111	73.7 Å²	73.7	59%	0.594	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.6	-177.2	-61.6	-23.2	0	0	0	111.7	V115 S116 N128	V115-N130 WeakPolarHBondContact O-CA 3.46Å; S116-N130 VanDerWaalsContact CB-OD1 3.24Å; S116-N130 WeakPolarHBondContact CB-OD1 3.39Å; S116-N130 PolarHBondContact OG-OD1 2.77Å; N128-N130 PolarHBondContact OD1-OD1 3.38Å
131	Y	48.1	Very low	42.8	Very low	16 Å²	16	73.7 Å²	73.7	6%	0.063	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	171.1	-177.1	38.7	-86.3	0	0	0	113.7	H114 V115 L117 L129 V133 F147 F149	H114-Y131 PolarHBondContact ND1-O 2.7Å; H114-Y131 VanDerWaalsContact ND1-O 3.13Å; V115-Y131 HydrophobicContact CB-CD2 4.35Å; V115-Y131 HydrophobicContact CB-CE2 3.55Å; V115-Y131 HydrophobicContact CG1-CE2 3.9Å; V115-Y131 WeakPolarHBondContact CG1-OH 3.23Å; V115-Y131 HydrophobicContact CG2-CE2 4.48Å; V115-Y131 PolarHBondContact O-N 3.32Å; L117-Y131 HydrophobicContact CB-CE1 4.39Å; L129-Y131 VanDerWaalsContact O-CE1 3.28Å; L129-Y131 WeakPolarHBondContact O-CE1 3.5Å; Y131-V133 HydrophobicContact CD2-CG1 4.35Å; Y131-F147 HydrophobicContact CD2-CB 4.28Å; Y131-F147 HydrophobicContact CE2-CB 3.35Å; Y131-F147 AromaticContact CE2-CD1 3.63Å; Y131-F147 HydrophobicContact CE2-CD1 3.63Å; Y131-F147 HydrophobicContact CE2-CD2 4.19Å; Y131-F147 AromaticContact CE2-CG 3.39Å; Y131-F147 HydrophobicContact CE2-CG 3.39Å; Y131-F147 AromaticContact CZ-CD2 3.92Å; Y131-F147 AromaticContact CZ-CG 3.56Å; Y131-F147 WeakPolarHBondContact OH-CB 3.11Å; Y131-F147 WeakPolarHBondContact OH-CD2 3.24Å; Y131-F147 WeakPolarHBondContact OH-CG 3.23Å; Y131-F149 HydrophobicContact CD1-CD1 4.21Å; Y131-F149 AromaticContact CD1-CE1 3.47Å; Y131-F149 HydrophobicContact CD1-CE1 3.47Å; Y131-F149 VanDerWaalsContact CD1-CE1 3.47Å; Y131-F149 AromaticContact CD1-CZ 3.86Å; Y131-F149 HydrophobicContact CD1-CZ 3.86Å; Y131-F149 AromaticContact CE1-CE1 3.81Å; Y131-F149 HydrophobicContact CE1-CE1 3.81Å; Y131-F149 AromaticContact CE1-CZ 3.68Å; Y131-F149 HydrophobicContact CE1-CZ 3.68Å; Y131-F149 HydrophobicContact CG-CE1 4.39Å
132	T	45.1	Very low	42.5	Very low	50 Å²	50	74.3 Å²	74.3	31%	0.307	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.3	-164.4	-45.1	0	0	0	0	111.7	H114 S176 Q177	H114-T132 WeakPolarHBondContact CE1-CG2 3.43Å; H114-T132 PolarHBondContact CE1-OG1 2.79Å; H114-T132 PolarHBondContact ND1-OG1 3.41Å; T132-S176 WeakPolarHBondContact O-CA 3.39Å; T132-Q177 HydrophobicContact CG2-CB 4.25Å; T132-Q177 HydrophobicContact CG2-CG 3.79Å; T132-Q177 PolarHBondContact O-N 2.71Å
133	V	47.6	Very low	42.2	Very low	3 Å²	3	75.7 Å²	75.7	2%	0.018	40%	0.404	C	S	.	.			trans	-148.4	133.8	-136.1	-84.6	0	0	0	0	118.3	N112 Y113 Y131 Y175 Q177 Y178	N112-V133 WeakPolarHBondContact CA-O 3.48Å; N112-V133 WeakPolarHBondContact CB-O 3.45Å; N112-V133 PolarHBondContact OD1-N 3.22Å; N112-V133 PolarHBondContact OD1-O 2.61Å; Y113-V133 VanDerWaalsContact CA-CG2 3.4Å; Y113-V133 WeakPolarHBondContact O-CG2 3.33Å; Y131-V133 HydrophobicContact CD2-CG1 4.35Å; V133-Y175 VanDerWaalsContact C-CD1 3.47Å; V133-Y175 VanDerWaalsContact CA-CB 3.5Å; V133-Y175 HydrophobicContact CB-CD1 3.69Å; V133-Y175 HydrophobicContact CB-CG 3.68Å; V133-Y175 HydrophobicContact CG1-CG 4.11Å; V133-Q177 VanDerWaalsContact C-CA 3.5Å; V133-Q177 CarbonylContact O-C 3.55Å; V133-Q177 WeakPolarHBondContact O-CA 3.44Å; V133-Q177 PolarHBondContact O-N 3.14Å; V133-Y178 PolarHBondContact O-N 3.01Å
134	K	40.7	Very low	41.9	Very low	71 Å²	71	73 Å²	73	31%	0.309	39%	0.385	S	S	.	.			trans	-129.6	99.1	-177.6	-76.3	176	-167.5	-54.1	0	112.6	I111 Y175 S176 Q177 Y178	I111-K134 CarbonylContact O-C 3.25Å; I111-K134 VanDerWaalsContact O-CA 3.24Å; I111-K134 WeakPolarHBondContact O-CA 3.5Å; K134-Y175 VanDerWaalsContact N-C 3.26Å; K134-Y175 VanDerWaalsContact N-CA 3.35Å; K134-Y175 VanDerWaalsContact N-CB 3.27Å; K134-Y175 VanDerWaalsContact N-CD1 3.33Å; K134-Y175 VanDerWaalsContact O-CA 3.26Å; K134-Y175 WeakPolarHBondContact O-CA 3.36Å; K134-S176 WeakPolarHBondContact CD-O 3.44Å; K134-S176 WeakPolarHBondContact CE-O 3.48Å; K134-S176 WeakPolarHBondContact CG-O 3.33Å; K134-Q177 WeakPolarHBondContact CG-O 3.35Å; K134-Q177 VanDerWaalsContact N-N 3.11Å; K134-Q177 PolarHBondContact NZ-O 3.34Å; K134-Y178 HydrophobicContact CB-CD2 3.49Å; K134-Y178 VanDerWaalsContact CB-CD2 3.49Å; K134-Y178 HydrophobicContact CB-CE2 3.5Å; K134-Y178 HydrophobicContact CB-CG 4.23Å; K134-Y178 HydrophobicContact CD-CD2 4.32Å; K134-Y178 HydrophobicContact CD-CE1 4.14Å; K134-Y178 HydrophobicContact CD-CE2 3.82Å; K134-Y178 HydrophobicContact CG-CD1 3.98Å; K134-Y178 HydrophobicContact CG-CD2 3.32Å; K134-Y178 HydrophobicContact CG-CE1 3.96Å; K134-Y178 HydrophobicContact CG-CE2 3.3Å; K134-Y178 HydrophobicContact CG-CG 3.64Å
135	A	42.1	Very low	41.7	Very low	14 Å²	14	71.3 Å²	71.3	12%	0.116	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-106.8	-150.9	161.9	0	0	0	0	0	110.2	I111 V174 Y175	I111-A135 HydrophobicContact CG2-CB 3.9Å; I111-A135 PolarHBondContact O-N 3.14Å; A135-V174 WeakPolarHBondContact CB-O 3.4Å; A135-Y175 HydrophobicContact CB-CD1 3.71Å; A135-Y175 HydrophobicContact CB-CD2 3.74Å; A135-Y175 HydrophobicContact CB-CE1 3.4Å; A135-Y175 HydrophobicContact CB-CE2 3.41Å; A135-Y175 VanDerWaalsContact CB-CE2 3.41Å; A135-Y175 HydrophobicContact CB-CG 3.83Å; A135-Y175 VanDerWaalsContact N-CE1 3.32Å
136	F	38.5	Very low	41.6	Very low	133 Å²	133	69.5 Å²	69.5	58%	0.583	35%	0.354	S	S	*	.			trans	-129.1	166.3	173	-69.2	-86.2	0	0	0	111.6	G109	G109-F136 CarbonylContact O-C 3.52Å; G109-F136 WeakPolarHBondContact O-CA 3.43Å
137	S	41.2	Very low	41.3	Very low	56 Å²	56	64.5 Å²	64.5	39%	0.392	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	153.7	-156.6	52.2	0	0	0	0	117.6	G109	G109-S137 PolarHBondContact O-N 3.46Å; G109-S137 VanDerWaalsContact O-N 3.15Å
138	N	39.1	Very low	41.1	Very low	156 Å²	156	67.7 Å²	67.7	83%	0.834	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-0.3	175.4	-63.6	-6	0	0	0	118.8
139	V	38.2	Very low	40.7	Very low	83 Å²	83	65.2 Å²	65.2	50%	0.503	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-95.8	133.5	174.8	-175.4	0	0	0	0	112.4	R102 Y113	R102-V139 PolarHBondContact NH2-O 3.21Å; Y113-V139 PolarHBondContact OH-O 2.04Å
140	E	39.5	Very low	40.4	Very low	122 Å²	122	67.2 Å²	67.2	57%	0.57	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-87.4	127	166.5	-84.2	-178.5	169.4	0	0	110.8	R102 Y113 N142	R102-E140 VanDerWaalsContact CZ-CG 3.42Å; R102-E140 IonicContact CZ-OE1 2.71Å; R102-E140 IonicContact NH1-OE1 2.72Å; R102-E140 PolarHBondContact NH1-OE1 2.73Å; Y113-E140 VanDerWaalsContact OH-CA 3.24Å; Y113-E140 WeakPolarHBondContact OH-CA 3.4Å; E140-N142 PolarHBondContact O-N 2.97Å
141	I	40.4	Very low	39.9	Very low	19 Å²	19	68.9 Å²	68.9	10%	0.097	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-65.6	120	165.8	-60.2	-174.8	0	0	0	107.4	I99 Y113 D145 T173 Y175	I99-I141 HydrophobicContact CB-CG2 4.4Å; I99-I141 HydrophobicContact CD1-CG2 3.56Å; I99-I141 HydrophobicContact CG1-CG2 3.66Å; I99-I141 HydrophobicContact CG2-CB 4.44Å; I99-I141 HydrophobicContact CG2-CG2 3.95Å; Y113-I141 HydrophobicContact CD1-CB 3.85Å; Y113-I141 HydrophobicContact CD1-CD1 3.38Å; Y113-I141 HydrophobicContact CD1-CG1 3.59Å; Y113-I141 HydrophobicContact CD2-CD1 3.76Å; Y113-I141 HydrophobicContact CD2-CG1 4.03Å; Y113-I141 HydrophobicContact CE1-CB 3.51Å; Y113-I141 HydrophobicContact CE1-CD1 3.83Å; Y113-I141 HydrophobicContact CE1-CG1 3.43Å; Y113-I141 VanDerWaalsContact CE1-CG1 3.43Å; Y113-I141 HydrophobicContact CE2-CD1 4.22Å; Y113-I141 HydrophobicContact CE2-CG1 3.97Å; Y113-I141 HydrophobicContact CG-CD1 3.31Å; Y113-I141 HydrophobicContact CG-CG1 3.86Å; Y113-I141 PolarHBondContact OH-N 2.97Å; I141-D145 HydrophobicContact CG2-CB 4.15Å; I141-T173 HydrophobicContact CB-CG2 4.31Å; I141-T173 HydrophobicContact CD1-CG2 4.4Å; I141-T173 HydrophobicContact CG1-CG2 3.75Å; I141-T173 HydrophobicContact CG2-CG2 4.2Å; I141-Y175 HydrophobicContact CD1-CD2 3.82Å; I141-Y175 HydrophobicContact CD1-CE2 3.46Å; I141-Y175 VanDerWaalsContact CD1-CE2 3.46Å; I141-Y175 HydrophobicContact CG1-CD2 4.34Å; I141-Y175 HydrophobicContact CG1-CE2 3.52Å
142	N	37.4	Very low	39.5	Very low	94 Å²	94	70.4 Å²	70.4	50%	0.503	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-96.9	163	167.7	-84.7	-75.6	0	0	0	110.4	I99 E140 F144 D145	I99-N142 WeakPolarHBondContact CD1-O 3.43Å; E140-N142 PolarHBondContact O-N 2.97Å; N142-F144 PolarHBondContact O-N 3.06Å; N142-D145 PolarHBondContact N-OD2 2.67Å; N142-D145 PolarHBondContact O-N 2.73Å; N142-D145 VanDerWaalsContact O-OD2 3.12Å
143	Q	35.9	Very low	39.3	Very low	62 Å²	62	71.2 Å²	71.2	29%	0.29	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-21.6	179	60.8	-175.3	-66	0	0	115.3	N65 I67	N65-Q143 HydrophobicContact CB-CB 4.24Å; N65-Q143 VanDerWaalsContact CG-CD 3.44Å; N65-Q143 VanDerWaalsContact CG-NE2 3.25Å; N65-Q143 VanDerWaalsContact CG-OE1 3.31Å; N65-Q143 PolarHBondContact OD1-NE2 3.09Å; N65-Q143 PolarHBondContact OD1-OE1 3.5Å; I67-Q143 HydrophobicContact CD1-CB 4.1Å; I67-Q143 HydrophobicContact CD1-CG 4.13Å; I67-Q143 WeakPolarHBondContact CD1-O 3.5Å
144	F	34.5	Very low	39	Very low	110 Å²	110	75.3 Å²	75.3	48%	0.482	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.1	-173.5	-63.5	-78.8	0	0	0	115.8	I67 N142	I67-F144 HydrophobicContact CB-CE1 4.43Å; I67-F144 HydrophobicContact CD1-CD1 3.61Å; I67-F144 HydrophobicContact CD1-CE1 3.87Å; I67-F144 HydrophobicContact CD1-CG 4.12Å; I67-F144 HydrophobicContact CG1-CD1 3.99Å; I67-F144 HydrophobicContact CG1-CE1 3.74Å; I67-F144 HydrophobicContact CG1-CZ 4.41Å; I67-F144 HydrophobicContact CG2-CD1 3.95Å; I67-F144 HydrophobicContact CG2-CE1 3.93Å; N142-F144 PolarHBondContact O-N 3.06Å
145	D	36.9	Very low	39.1	Very low	43 Å²	43	75 Å²	75	23%	0.23	40%	0.399	C	S	.	.			trans	-96.4	128.8	-167.2	-69.2	-56.2	0	0	0	116.1	I141 N142 F147 W171 D172 T173	I141-D145 HydrophobicContact CG2-CB 4.15Å; N142-D145 PolarHBondContact N-OD2 2.67Å; N142-D145 PolarHBondContact O-N 2.73Å; N142-D145 VanDerWaalsContact O-OD2 3.12Å; D145-F147 WeakPolarHBondContact O-CE1 3.3Å; D145-F147 WeakPolarHBondContact O-CE2 3.39Å; D145-F147 WeakPolarHBondContact O-CZ 3.5Å; D145-W171 CarbonylContact C-O 3.54Å; D145-D172 CarbonylContact C-O 3.59Å; D145-D172 VanDerWaalsContact C-O 3.3Å; D145-T173 HydrophobicContact CB-CG2 3.29Å; D145-T173 WeakPolarHBondContact CB-OG1 3.29Å; D145-T173 WeakPolarHBondContact OD2-CG2 3.38Å
146	P	37.2	Very low	39.1	Very low	38 Å²	38	81.1 Å²	81.1	25%	0.247	42%	0.419	C	S	.	.			trans	-83.7	68.9	-165.3	-0.5	-0.7	0	0	0	125.5	R169 A170 W171 D172	P146-R169 HydrophobicContact CB-CB 4.35Å; P146-A170 WeakPolarHBondContact CA-O 3.02Å; P146-A170 WeakPolarHBondContact CB-O 3.11Å; P146-W171 WeakPolarHBondContact CA-O 3.43Å; P146-W171 HydrophobicContact CB-CB 4.11Å; P146-W171 WeakPolarHBondContact CB-O 3.33Å; P146-W171 VanDerWaalsContact CD-CA 3.41Å; P146-W171 WeakPolarHBondContact CD-O 3.31Å; P146-W171 HydrophobicContact CG-CB 3.18Å; P146-W171 HydrophobicContact CG-CG 4.24Å; P146-W171 WeakPolarHBondContact CG-O 3.42Å; P146-D172 VanDerWaalsContact C-C 3.48Å; P146-D172 CarbonylContact C-O 3.52Å; P146-D172 VanDerWaalsContact CA-C 3.48Å; P146-D172 VanDerWaalsContact CA-O 3.32Å; P146-D172 WeakPolarHBondContact CA-O 3.07Å; P146-D172 VanDerWaalsContact CB-CA 3.46Å; P146-D172 HydrophobicContact CB-CB 4.18Å; P146-D172 WeakPolarHBondContact CB-OD1 3.23Å; P146-D172 HydrophobicContact CG-CB 3.84Å; P146-D172 WeakPolarHBondContact O-CA 3.42Å; P146-D172 PolarHBondContact O-N 2.03Å
147	F	38.9	Very low	39.3	Very low	24 Å²	24	75.1 Å²	75.1	11%	0.105	39%	0.393	C	S	.	.			trans	-39.1	155.7	-164.6	-46.1	-70	0	0	0	122.5	I99 V115 Y131 D145 D172 T173	I99-F147 HydrophobicContact CD1-CZ 3.85Å; I99-F147 HydrophobicContact CG1-CE1 4.12Å; I99-F147 HydrophobicContact CG1-CZ 3.56Å; V115-F147 HydrophobicContact CB-CD1 4.31Å; V115-F147 HydrophobicContact CB-CE1 4.13Å; V115-F147 HydrophobicContact CB-CZ 4.42Å; V115-F147 HydrophobicContact CG1-CD1 4.04Å; V115-F147 HydrophobicContact CG1-CD2 4.02Å; V115-F147 HydrophobicContact CG1-CE1 3.69Å; V115-F147 HydrophobicContact CG1-CE2 3.66Å; V115-F147 HydrophobicContact CG1-CG 4.2Å; V115-F147 HydrophobicContact CG1-CZ 3.51Å; V115-F147 HydrophobicContact CG2-CD1 4.25Å; V115-F147 HydrophobicContact CG2-CE1 3.76Å; V115-F147 HydrophobicContact CG2-CZ 4.25Å; Y131-F147 HydrophobicContact CD2-CB 4.28Å; Y131-F147 HydrophobicContact CE2-CB 3.35Å; Y131-F147 AromaticContact CE2-CD1 3.63Å; Y131-F147 HydrophobicContact CE2-CD1 3.63Å; Y131-F147 HydrophobicContact CE2-CD2 4.19Å; Y131-F147 AromaticContact CE2-CG 3.39Å; Y131-F147 HydrophobicContact CE2-CG 3.39Å; Y131-F147 AromaticContact CZ-CD2 3.92Å; Y131-F147 AromaticContact CZ-CG 3.56Å; Y131-F147 WeakPolarHBondContact OH-CB 3.11Å; Y131-F147 WeakPolarHBondContact OH-CD2 3.24Å; Y131-F147 WeakPolarHBondContact OH-CG 3.23Å; D145-F147 WeakPolarHBondContact O-CE1 3.3Å; D145-F147 WeakPolarHBondContact O-CE2 3.39Å; D145-F147 WeakPolarHBondContact O-CZ 3.5Å; F147-D172 WeakPolarHBondContact CA-O 3.43Å; F147-D172 PolarHBondContact N-O 2.89Å; F147-T173 VanDerWaalsContact CE1-OG1 3.29Å; F147-T173 WeakPolarHBondContact CE1-OG1 3.34Å
148	H	39.4	Very low	39.2	Very low	97 Å²	97	78.3 Å²	78.3	45%	0.449	40%	0.398	S	S	.	.			trans	-110.1	133.1	-177.8	-114.1	-91.2	0	0	0	113.4	R169 D172	H148-R169 PolarHBondContact CD2-NH2 3.44Å; H148-R169 VanDerWaalsContact CD2-NH2 3.3Å; H148-R169 PolarHBondContact NE2-NH2 3.34Å; H148-D172 IonicContact CD2-OD2 3.35Å
149	F	39.4	Very low	39.2	Very low	43 Å²	43	74.3 Å²	74.3	19%	0.189	37%	0.371	C	S	.	.			trans	-107.4	149.8	174.7	-67.7	-84.3	0	0	0	111.3	L117 L129 Y131 D153 L154	L117-F149 HydrophobicContact CD2-CZ 4.39Å; L129-F149 HydrophobicContact CB-CE1 4.05Å; L129-F149 HydrophobicContact CB-CZ 4.1Å; L129-F149 HydrophobicContact CD1-CZ 4.22Å; L129-F149 HydrophobicContact CD2-CE1 4.42Å; Y131-F149 HydrophobicContact CD1-CD1 4.21Å; Y131-F149 AromaticContact CD1-CE1 3.47Å; Y131-F149 HydrophobicContact CD1-CE1 3.47Å; Y131-F149 VanDerWaalsContact CD1-CE1 3.47Å; Y131-F149 AromaticContact CD1-CZ 3.86Å; Y131-F149 HydrophobicContact CD1-CZ 3.86Å; Y131-F149 AromaticContact CE1-CE1 3.81Å; Y131-F149 HydrophobicContact CE1-CE1 3.81Å; Y131-F149 AromaticContact CE1-CZ 3.68Å; Y131-F149 HydrophobicContact CE1-CZ 3.68Å; Y131-F149 HydrophobicContact CG-CE1 4.39Å; F149-D153 HydrophobicContact CB-CB 4.15Å; F149-D153 HydrophobicContact CD1-CB 4.07Å; F149-L154 HydrophobicContact CB-CD2 4.42Å; F149-L154 HydrophobicContact CB-CG 4.15Å
150	S	39.6	Very low	39.4	Very low	66 Å²	66	75.6 Å²	75.6	46%	0.462	37%	0.371	S	S	.	.			trans	-86.6	170.5	175.2	83.1	0	0	0	0	112.4	G152 D153 L154	S150-G152 VanDerWaalsContact C-N 3.26Å; S150-G152 PolarHBondContact O-N 2.82Å; S150-G152 PolarHBondContact OG-N 3.08Å; S150-D153 WeakPolarHBondContact CA-OD2 3.21Å; S150-D153 WeakPolarHBondContact CB-OD2 3.1Å; S150-D153 PolarHBondContact N-OD2 3.13Å; S150-D153 PolarHBondContact O-N 3.02Å; S150-D153 VanDerWaalsContact O-N 3.09Å; S150-D153 PolarHBondContact OG-OD2 3.49Å; S150-L154 PolarHBondContact O-N 2.96Å; S150-L154 VanDerWaalsContact O-N 3.1Å
151	H	37.6	Very low	39.6	Very low	147 Å²	147	70.9 Å²	70.9	68%	0.681	35%	0.351	S	S	*	.	H	α-helix	trans	-62.2	-32.3	178.8	-166.4	69.9	0	0	0	112.9	D153 L155	H151-D153 VanDerWaalsContact C-N 3.35Å; H151-L155 WeakPolarHBondContact NE2-CD1 3.21Å; H151-L155 WeakPolarHBondContact O-CB 3.06Å; H151-L155 WeakPolarHBondContact O-CG 3.03Å; H151-L155 PolarHBondContact O-N 2.76Å; H151-L155 VanDerWaalsContact O-N 3.17Å
152	G	40.7	Very low	39.6	Very low	48 Å²	48	73.1 Å²	73.1	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-68.4	-33.2	174	0	0	0	0	0	113.1	S150 R156	S150-G152 VanDerWaalsContact C-N 3.26Å; S150-G152 PolarHBondContact O-N 2.82Å; S150-G152 PolarHBondContact OG-N 3.08Å; G152-R156 WeakPolarHBondContact O-CB 3.5Å; G152-R156 PolarHBondContact O-N 3.43Å
153	D	41.7	Very low	39.5	Very low	66 Å²	66	74 Å²	74	35%	0.353	36%	0.361	S	S	.	.	H	α-helix	trans	-75.4	-42.3	-179.2	-52.4	-54.5	0	0	0	111.2	F149 S150 H151 R156 L157	F149-D153 HydrophobicContact CB-CB 4.15Å; F149-D153 HydrophobicContact CD1-CB 4.07Å; S150-D153 WeakPolarHBondContact CA-OD2 3.21Å; S150-D153 WeakPolarHBondContact CB-OD2 3.1Å; S150-D153 PolarHBondContact N-OD2 3.13Å; S150-D153 PolarHBondContact O-N 3.02Å; S150-D153 VanDerWaalsContact O-N 3.09Å; S150-D153 PolarHBondContact OG-OD2 3.49Å; H151-D153 VanDerWaalsContact C-N 3.35Å; D153-R156 CarbonylContact O-C 3.05Å; D153-R156 WeakPolarHBondContact O-CA 3.02Å; D153-R156 WeakPolarHBondContact O-CB 3.01Å; D153-R156 PolarHBondContact O-N 2.96Å; D153-R156 VanDerWaalsContact O-N 3.08Å; D153-L157 PolarHBondContact O-N 3.08Å
154	L	39.5	Very low	39.5	Very low	89 Å²	89	75 Å²	75	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-39	176.8	-71.2	166.6	0	0	0	112.3	F149 S150 R156 L157 Y158	F149-L154 HydrophobicContact CB-CD2 4.42Å; F149-L154 HydrophobicContact CB-CG 4.15Å; S150-L154 PolarHBondContact O-N 2.96Å; S150-L154 VanDerWaalsContact O-N 3.1Å; L154-R156 PolarHBondContact O-N 2.98Å; L154-L157 PolarHBondContact O-N 2.97Å; L154-Y158 PolarHBondContact O-N 2.59Å; L154-Y158 VanDerWaalsContact O-N 3.16Å
155	L	43.6	Very low	39.5	Very low	64 Å²	64	71.5 Å²	71.5	34%	0.335	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-7.7	171.3	-79.1	175.6	0	0	0	114	H151 R159	H151-L155 WeakPolarHBondContact NE2-CD1 3.21Å; H151-L155 WeakPolarHBondContact O-CB 3.06Å; H151-L155 WeakPolarHBondContact O-CG 3.03Å; H151-L155 PolarHBondContact O-N 2.76Å; H151-L155 VanDerWaalsContact O-N 3.17Å; L155-R159 WeakPolarHBondContact O-CB 3.42Å; L155-R159 PolarHBondContact O-NE 2.93Å; L155-R159 PolarHBondContact O-NH2 2.86Å
156	R	41.2	Very low	39.1	Very low	143 Å²	143	73.8 Å²	73.8	54%	0.54	38%	0.377	S	S	.	.	H	α-helix	trans	-101.7	-41.6	173.1	-175.3	176.2	175.8	-153.3	-16.1	111.9	G152 D153 L154 R159 E160	G152-R156 WeakPolarHBondContact O-CB 3.5Å; G152-R156 PolarHBondContact O-N 3.43Å; D153-R156 CarbonylContact O-C 3.05Å; D153-R156 WeakPolarHBondContact O-CA 3.02Å; D153-R156 WeakPolarHBondContact O-CB 3.01Å; D153-R156 PolarHBondContact O-N 2.96Å; D153-R156 VanDerWaalsContact O-N 3.08Å; L154-R156 PolarHBondContact O-N 2.98Å; R156-R159 CarbonylContact O-C 3.44Å; R156-R159 WeakPolarHBondContact O-CA 3.28Å; R156-R159 WeakPolarHBondContact O-CB 3.07Å; R156-R159 PolarHBondContact O-N 3.49Å; R156-E160 HydrophobicContact CG-CG 4.39Å; R156-E160 IonicContact CZ-OE1 2.82Å; R156-E160 IonicContact NE-OE1 2.64Å; R156-E160 PolarHBondContact NE-OE1 2.88Å; R156-E160 IonicContact NH2-OE1 3.21Å; R156-E160 PolarHBondContact NH2-OE1 3.47Å; R156-E160 IonicContact NH2-OE2 2.79Å; R156-E160 PolarHBondContact O-N 2.88Å
157	L	43.5	Very low	38.8	Very low	8 Å²	8	75 Å²	75	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-55	-54.8	174.8	-119.7	158.7	0	0	0	111.5	M127 L129 D153 L154 R159 E160 T161 I165 I167	M127-L157 HydrophobicContact SD-CD2 3.6Å; M127-L157 VanDerWaalsContact SD-CD2 3.6Å; M127-L157 HydrophobicContact SD-CG 4.44Å; L129-L157 HydrophobicContact CD1-CD1 3.96Å; L129-L157 HydrophobicContact CD1-CD2 4.13Å; L129-L157 HydrophobicContact CD1-CG 4.28Å; L129-L157 HydrophobicContact CD2-CD1 3.84Å; L129-L157 HydrophobicContact CD2-CD2 4.34Å; L129-L157 HydrophobicContact CD2-CG 3.81Å; D153-L157 PolarHBondContact O-N 3.08Å; L154-L157 PolarHBondContact O-N 2.97Å; L157-R159 PolarHBondContact O-N 3.17Å; L157-E160 PolarHBondContact O-N 3Å; L157-T161 PolarHBondContact O-N 2.78Å; L157-T161 VanDerWaalsContact O-N 3.15Å; L157-T161 PolarHBondContact O-OG1 2.04Å; L157-T161 VanDerWaalsContact O-OG1 3.14Å; L157-I165 HydrophobicContact CD2-CD1 3.47Å; L157-I165 VanDerWaalsContact CD2-CD1 3.47Å; L157-I167 HydrophobicContact CD1-CD1 4.23Å; L157-I167 HydrophobicContact CD2-CD1 4.4Å
158	Y	39.1	Very low	38.1	Very low	122 Å²	122	81 Å²	81	48%	0.478	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-15.5	176.5	-177.1	-151.5	0	0	0	112.9	L154 Q162 Q229	L154-Y158 PolarHBondContact O-N 2.59Å; L154-Y158 VanDerWaalsContact O-N 3.16Å; Y158-Q162 WeakPolarHBondContact O-CA 3.38Å; Y158-Q162 PolarHBondContact O-N 2.04Å; Y158-Q229 VanDerWaalsContact CD1-NE2 3.32Å
159	R	39.4	Very low	37.5	Very low	73 Å²	73	83.4 Å²	83.4	28%	0.275	41%	0.409	S	S	.	.	H	α-helix	trans	-88.3	-33.7	177.6	171.9	-174.5	-39	-171.8	11	113.4	L155 R156 L157 Q162 Q229 S230	L155-R159 WeakPolarHBondContact O-CB 3.42Å; L155-R159 PolarHBondContact O-NE 2.93Å; L155-R159 PolarHBondContact O-NH2 2.86Å; R156-R159 CarbonylContact O-C 3.44Å; R156-R159 WeakPolarHBondContact O-CA 3.28Å; R156-R159 WeakPolarHBondContact O-CB 3.07Å; R156-R159 PolarHBondContact O-N 3.49Å; L157-R159 PolarHBondContact O-N 3.17Å; R159-Q162 WeakPolarHBondContact O-CG 3.08Å; R159-Q162 PolarHBondContact O-NE2 2.86Å; R159-Q229 HydrophobicContact CB-CB 3.82Å; R159-Q229 HydrophobicContact CB-CG 4.02Å; R159-Q229 HydrophobicContact CG-CB 3.9Å; R159-S230 WeakPolarHBondContact CD-O 3.49Å; R159-S230 VanDerWaalsContact CZ-C 3.46Å; R159-S230 PolarHBondContact NE-O 3.37Å; R159-S230 VanDerWaalsContact NH1-C 3.27Å; R159-S230 PolarHBondContact NH1-O 3.17Å; R159-S230 PolarHBondContact NH2-OG 3.19Å
160	E	42.3	Very low	36.7	Very low	109 Å²	109	84 Å²	84	51%	0.509	42%	0.422	S	S	.	.	H	α-helix	trans	-87.5	-34.9	-179	-70.4	-179.8	-175.8	0	0	112.5	M127 R156 L157	M127-E160 HydrophobicContact CE-CB 4.09Å; R156-E160 HydrophobicContact CG-CG 4.39Å; R156-E160 IonicContact CZ-OE1 2.82Å; R156-E160 IonicContact NE-OE1 2.64Å; R156-E160 PolarHBondContact NE-OE1 2.88Å; R156-E160 IonicContact NH2-OE1 3.21Å; R156-E160 PolarHBondContact NH2-OE1 3.47Å; R156-E160 IonicContact NH2-OE2 2.79Å; R156-E160 PolarHBondContact O-N 2.88Å; L157-E160 PolarHBondContact O-N 3Å
161	T	43.7	Very low	36	Very low	24 Å²	24	87.8 Å²	87.8	15%	0.147	43%	0.426	C	S	.	.	S	Bend	trans	-85.2	-31.4	172.7	60.2	0	0	0	0	113.9	L121 M127 L157 F163 I165	L121-T161 HydrophobicContact CD1-CG2 4.39Å; M127-T161 HydrophobicContact CE-CG2 3.5Å; M127-T161 VanDerWaalsContact CE-CG2 3.5Å; M127-T161 HydrophobicContact SD-CG2 3.81Å; L157-T161 PolarHBondContact O-N 2.78Å; L157-T161 VanDerWaalsContact O-N 3.15Å; L157-T161 PolarHBondContact O-OG1 2.04Å; L157-T161 VanDerWaalsContact O-OG1 3.14Å; T161-F163 PolarHBondContact O-N 3.11Å; T161-F163 PolarHBondContact OG1-O 2.74Å; T161-I165 HydrophobicContact CG2-CD1 3.54Å; T161-I165 HydrophobicContact CG2-CG1 4.3Å; T161-I165 WeakPolarHBondContact OG1-CD1 3.29Å
162	Q	39.9	Very low	35.8	Very low	65 Å²	65	82.8 Å²	82.8	30%	0.304	40%	0.404	S	S	.	.			trans	58.6	-23.3	-168.6	-53.9	-159.4	-12.7	0	0	116.5	Y158 R159 L227 P228	Y158-Q162 WeakPolarHBondContact O-CA 3.38Å; Y158-Q162 PolarHBondContact O-N 2.04Å; R159-Q162 WeakPolarHBondContact O-CG 3.08Å; R159-Q162 PolarHBondContact O-NE2 2.86Å; Q162-L227 HydrophobicContact CB-CB 4.17Å; Q162-L227 WeakPolarHBondContact O-CD1 3.3Å; Q162-L227 PolarHBondContact OE1-O 3.17Å; Q162-P228 VanDerWaalsContact OE1-CA 3.3Å
163	F	36	Very low	35.1	Very low	114 Å²	114	81.3 Å²	81.3	50%	0.5	39%	0.386	S	S	.	.	S	Bend	trans	-69.1	150	170.6	-86.5	-96.4	0	0	0	113.5	T161 I165 E226	T161-F163 PolarHBondContact O-N 3.11Å; T161-F163 PolarHBondContact OG1-O 2.74Å; F163-I165 PolarHBondContact O-N 2.97Å; F163-E226 WeakPolarHBondContact CE1-OE2 3.3Å
164	P	35.1	Very low	34.7	Very low	82 Å²	82	82.1 Å²	82.1	53%	0.532	39%	0.393	S	S	.	.			trans	-72.4	90.1	172	31	-35.1	0	0	0	111.4	C166	P164-C166 PolarHBondContact O-N 3.04Å
165	I	34.4	Very low	34.2	Very low	36 Å²	36	78.5 Å²	78.5	19%	0.185	37%	0.373	C	S	.	.			trans	-74.2	110.4	-180	-38	177.8	0	0	0	110.7	I92 L157 T161 F163 I167	I92-I165 HydrophobicContact CD1-CG2 4.26Å; L157-I165 HydrophobicContact CD2-CD1 3.47Å; L157-I165 VanDerWaalsContact CD2-CD1 3.47Å; T161-I165 HydrophobicContact CG2-CD1 3.54Å; T161-I165 HydrophobicContact CG2-CG1 4.3Å; T161-I165 WeakPolarHBondContact OG1-CD1 3.29Å; F163-I165 PolarHBondContact O-N 2.97Å; I165-I167 VanDerWaalsContact C-N 3.28Å; I165-I167 HydrophobicContact CB-CG1 4.08Å; I165-I167 HydrophobicContact CG2-CD1 4.41Å; I165-I167 HydrophobicContact CG2-CG1 3.54Å; I165-I167 PolarHBondContact O-N 2.82Å
166	C	28.3	Very low	33.3	Very low	91 Å²	91	79.1 Å²	79.1	62%	0.615	38%	0.383	S	S	*	.			trans	-76.1	79.5	164.2	-67.6	0	0	0	0	109.9	P164 Y168	P164-C166 PolarHBondContact O-N 3.04Å; C166-Y168 PolarHBondContact O-N 3.31Å
167	I	30.9	Very low	32.7	Very low	65 Å²	65	78.4 Å²	78.4	33%	0.333	39%	0.385	S	S	.	.			trans	-70.2	96.3	173.4	-55.1	179.7	0	0	0	108.6	I119 L157 I165 R169	I119-I167 HydrophobicContact CD1-CD1 4.29Å; L157-I167 HydrophobicContact CD1-CD1 4.23Å; L157-I167 HydrophobicContact CD2-CD1 4.4Å; I165-I167 VanDerWaalsContact C-N 3.28Å; I165-I167 HydrophobicContact CB-CG1 4.08Å; I165-I167 HydrophobicContact CG2-CD1 4.41Å; I165-I167 HydrophobicContact CG2-CG1 3.54Å; I165-I167 PolarHBondContact O-N 2.82Å; I167-R169 PolarHBondContact O-N 3.06Å
168	Y	25.2	Very low	31.8	Very low	150 Å²	150	82 Å²	82	59%	0.588	40%	0.399	S	S	*	.			trans	-60.2	131.3	162.5	-78.1	-96.8	0	0	0	108.8	L94 C166 A170	L94-Y168 WeakPolarHBondContact CD1-O 3.34Å; C166-Y168 PolarHBondContact O-N 3.31Å; Y168-A170 PolarHBondContact O-N 2.83Å
169	R	26.4	Very low	31.2	Very low	146 Å²	146	77.8 Å²	77.8	55%	0.551	38%	0.383	S	S	*	.			trans	-68	99.4	177	-93.6	-176.4	165.9	-163	-7.5	110.7	P146 H148 I167 W171 D172	P146-R169 HydrophobicContact CB-CB 4.35Å; H148-R169 PolarHBondContact CD2-NH2 3.44Å; H148-R169 VanDerWaalsContact CD2-NH2 3.3Å; H148-R169 PolarHBondContact NE2-NH2 3.34Å; I167-R169 PolarHBondContact O-N 3.06Å; R169-W171 PolarHBondContact O-N 3.01Å; R169-D172 IonicContact NH1-OD1 3.53Å; R169-D172 PolarHBondContact NH1-OD1 3.13Å
170	A	23.6	Very low	30.4	Very low	56 Å²	56	77 Å²	77	46%	0.463	39%	0.386	S	S	.	.			trans	-58.3	125.4	149.3	0	0	0	0	0	107	P146 Y168	P146-A170 WeakPolarHBondContact CA-O 3.02Å; P146-A170 WeakPolarHBondContact CB-O 3.11Å; Y168-A170 PolarHBondContact O-N 2.83Å
171	W	24.4	Very low	29.5	Very low	146 Å²	146	75.9 Å²	75.9	55%	0.553	39%	0.39	S	S	*	.			trans	-49.2	0	-161.5	-58.4	-15.1	0	0	0	117.3	Y68 D145 P146 R169	Y68-W171 AromaticContact CE2-CH2 3.87Å; Y68-W171 HydrophobicContact CE2-CH2 3.87Å; Y68-W171 HydrophobicContact CE2-CZ2 4.13Å; Y68-W171 HydrophobicContact CE2-CZ3 4.27Å; Y68-W171 VanDerWaalsContact OH-CH2 3.3Å; Y68-W171 WeakPolarHBondContact OH-CH2 3.08Å; D145-W171 CarbonylContact C-O 3.54Å; P146-W171 WeakPolarHBondContact CA-O 3.43Å; P146-W171 HydrophobicContact CB-CB 4.11Å; P146-W171 WeakPolarHBondContact CB-O 3.33Å; P146-W171 VanDerWaalsContact CD-CA 3.41Å; P146-W171 WeakPolarHBondContact CD-O 3.31Å; P146-W171 HydrophobicContact CG-CB 3.18Å; P146-W171 HydrophobicContact CG-CG 4.24Å; P146-W171 WeakPolarHBondContact CG-O 3.42Å; R169-W171 PolarHBondContact O-N 3.01Å
172	D	32.2	Very low	28.6	Very low	42 Å²	42	84 Å²	84	23%	0.225	42%	0.418	C	S	.	.				0	-112.3	0	-76.7	81.1	0	0	0	127	D145 P146 F147 H148 R169 V174	D145-D172 CarbonylContact C-O 3.59Å; D145-D172 VanDerWaalsContact C-O 3.3Å; P146-D172 VanDerWaalsContact C-C 3.48Å; P146-D172 CarbonylContact C-O 3.52Å; P146-D172 VanDerWaalsContact CA-C 3.48Å; P146-D172 VanDerWaalsContact CA-O 3.32Å; P146-D172 WeakPolarHBondContact CA-O 3.07Å; P146-D172 VanDerWaalsContact CB-CA 3.46Å; P146-D172 HydrophobicContact CB-CB 4.18Å; P146-D172 WeakPolarHBondContact CB-OD1 3.23Å; P146-D172 HydrophobicContact CG-CB 3.84Å; P146-D172 WeakPolarHBondContact O-CA 3.42Å; P146-D172 PolarHBondContact O-N 2.03Å; F147-D172 WeakPolarHBondContact CA-O 3.43Å; F147-D172 PolarHBondContact N-O 2.89Å; H148-D172 IonicContact CD2-OD2 3.35Å; R169-D172 IonicContact NH1-OD1 3.53Å; R169-D172 PolarHBondContact NH1-OD1 3.13Å; D172-V174 HydrophobicContact CB-CG2 4.07Å; D172-V174 PolarHBondContact O-N 3.28Å
173	T	26.2	Very low	27.8	Very low	17 Å²	17	85.3 Å²	85.3	10%	0.104	43%	0.427	C	S	.	.			trans	36	59.4	-145	56.3	0	0	0	0	112.6	I141 D145 F147 Y175	I141-T173 HydrophobicContact CB-CG2 4.31Å; I141-T173 HydrophobicContact CD1-CG2 4.4Å; I141-T173 HydrophobicContact CG1-CG2 3.75Å; I141-T173 HydrophobicContact CG2-CG2 4.2Å; D145-T173 HydrophobicContact CB-CG2 3.29Å; D145-T173 WeakPolarHBondContact CB-OG1 3.29Å; D145-T173 WeakPolarHBondContact OD2-CG2 3.38Å; F147-T173 VanDerWaalsContact CE1-OG1 3.29Å; F147-T173 WeakPolarHBondContact CE1-OG1 3.34Å; T173-Y175 HydrophobicContact CG2-CD2 4.5Å; T173-Y175 HydrophobicContact CG2-CE2 4Å; T173-Y175 VanDerWaalsContact O-CD2 3.25Å; T173-Y175 WeakPolarHBondContact O-CD2 3.28Å; T173-Y175 PolarHBondContact O-N 2.95Å
174	V	33.5	Very low	27.4	Very low	83 Å²	83	87.9 Å²	87.9	50%	0.503	44%	0.438	S	S	.	.				10.2	94.5	120	-176.2	0	0	0	0	114.8	A135 D172	A135-V174 WeakPolarHBondContact CB-O 3.4Å; D172-V174 HydrophobicContact CB-CG2 4.07Å; D172-V174 PolarHBondContact O-N 3.28Å
175	Y	28.6	Very low	27.1	Very low	12 Å²	12	90 Å²	90	5%	0.047	45%	0.445	C	S	.	.			trans	-164.2	138.7	172.6	-85.6	-99.1	0	0	0	113.9	I111 Y113 V133 K134 A135 I141 T173	I111-Y175 HydrophobicContact CG2-CE1 3.47Å; I111-Y175 VanDerWaalsContact CG2-CE1 3.47Å; I111-Y175 WeakPolarHBondContact CG2-OH 3.41Å; I111-Y175 WeakPolarHBondContact O-CD1 3.47Å; I111-Y175 WeakPolarHBondContact O-CE1 3.28Å; Y113-Y175 HydrophobicContact CD2-CD1 4.12Å; Y113-Y175 AromaticContact CD2-CE1 3.25Å; Y113-Y175 HydrophobicContact CD2-CE1 3.25Å; Y113-Y175 HydrophobicContact CD2-CE2 4.3Å; Y113-Y175 AromaticContact CD2-CZ 3.41Å; Y113-Y175 VanDerWaalsContact CD2-CZ 3.41Å; Y113-Y175 WeakPolarHBondContact CD2-OH 3.17Å; Y113-Y175 AromaticContact CE2-CE1 3.62Å; Y113-Y175 HydrophobicContact CE2-CE1 3.62Å; Y113-Y175 HydrophobicContact CE2-CE2 4.43Å; Y113-Y175 AromaticContact CE2-CZ 3.41Å; Y113-Y175 VanDerWaalsContact CE2-CZ 3.41Å; Y113-Y175 WeakPolarHBondContact CE2-OH 3.41Å; Y113-Y175 HydrophobicContact CG-CE1 4.29Å; V133-Y175 VanDerWaalsContact C-CD1 3.47Å; V133-Y175 VanDerWaalsContact CA-CB 3.5Å; V133-Y175 HydrophobicContact CB-CD1 3.69Å; V133-Y175 HydrophobicContact CB-CG 3.68Å; V133-Y175 HydrophobicContact CG1-CG 4.11Å; K134-Y175 VanDerWaalsContact N-C 3.26Å; K134-Y175 VanDerWaalsContact N-CA 3.35Å; K134-Y175 VanDerWaalsContact N-CB 3.27Å; K134-Y175 VanDerWaalsContact N-CD1 3.33Å; K134-Y175 VanDerWaalsContact O-CA 3.26Å; K134-Y175 WeakPolarHBondContact O-CA 3.36Å; A135-Y175 HydrophobicContact CB-CD1 3.71Å; A135-Y175 HydrophobicContact CB-CD2 3.74Å; A135-Y175 HydrophobicContact CB-CE1 3.4Å; A135-Y175 HydrophobicContact CB-CE2 3.41Å; A135-Y175 VanDerWaalsContact CB-CE2 3.41Å; A135-Y175 HydrophobicContact CB-CG 3.83Å; A135-Y175 VanDerWaalsContact N-CE1 3.32Å; I141-Y175 HydrophobicContact CD1-CD2 3.82Å; I141-Y175 HydrophobicContact CD1-CE2 3.46Å; I141-Y175 VanDerWaalsContact CD1-CE2 3.46Å; I141-Y175 HydrophobicContact CG1-CD2 4.34Å; I141-Y175 HydrophobicContact CG1-CE2 3.52Å; T173-Y175 HydrophobicContact CG2-CD2 4.5Å; T173-Y175 HydrophobicContact CG2-CE2 4Å; T173-Y175 VanDerWaalsContact O-CD2 3.25Å; T173-Y175 WeakPolarHBondContact O-CD2 3.28Å; T173-Y175 PolarHBondContact O-N 2.95Å
176	S	25.5	Very low	26.8	Very low	77 Å²	77	94.1 Å²	94.1	54%	0.538	47%	0.473	S	S	.	.			trans	-142.8	65.3	166.8	55.8	0	0	0	0	122.3	T132 K134	T132-S176 WeakPolarHBondContact O-CA 3.39Å; K134-S176 WeakPolarHBondContact CD-O 3.44Å; K134-S176 WeakPolarHBondContact CE-O 3.48Å; K134-S176 WeakPolarHBondContact CG-O 3.33Å
177	Q	28.1	Very low	26.8	Very low	128 Å²	128	94.4 Å²	94.4	60%	0.598	48%	0.476	S	S	*	.	S	Bend	trans	83.3	109.9	178.1	-39.3	-163.5	71.1	0	0	126.3	T132 V133 K134	T132-Q177 HydrophobicContact CG2-CB 4.25Å; T132-Q177 HydrophobicContact CG2-CG 3.79Å; T132-Q177 PolarHBondContact O-N 2.71Å; V133-Q177 VanDerWaalsContact C-CA 3.5Å; V133-Q177 CarbonylContact O-C 3.55Å; V133-Q177 WeakPolarHBondContact O-CA 3.44Å; V133-Q177 PolarHBondContact O-N 3.14Å; K134-Q177 WeakPolarHBondContact CG-O 3.35Å; K134-Q177 VanDerWaalsContact N-N 3.11Å; K134-Q177 PolarHBondContact NZ-O 3.34Å
178	Y	24.9	Very low	26.7	Very low	84 Å²	84	99.3 Å²	99.3	33%	0.329	50%	0.495	S	S	.	.			trans	-158.9	-160.8	174.6	-78.9	-38.7	0	0	0	117.4	T110 N112 V133 K134	T110-Y178 VanDerWaalsContact CB-CD2 3.43Å; T110-Y178 HydrophobicContact CG2-CD1 3.93Å; T110-Y178 HydrophobicContact CG2-CD2 3.86Å; T110-Y178 HydrophobicContact CG2-CE1 3.42Å; T110-Y178 VanDerWaalsContact CG2-CE1 3.42Å; T110-Y178 HydrophobicContact CG2-CE2 3.34Å; T110-Y178 HydrophobicContact CG2-CG 4.18Å; N112-Y178 WeakPolarHBondContact CB-O 3.44Å; N112-Y178 PolarHBondContact OD1-N 2.93Å; N112-Y178 VanDerWaalsContact OD1-N 3.15Å; N112-Y178 PolarHBondContact OD1-O 2.99Å; V133-Y178 PolarHBondContact O-N 3.01Å; K134-Y178 HydrophobicContact CB-CD2 3.49Å; K134-Y178 VanDerWaalsContact CB-CD2 3.49Å; K134-Y178 HydrophobicContact CB-CE2 3.5Å; K134-Y178 HydrophobicContact CB-CG 4.23Å; K134-Y178 HydrophobicContact CD-CD2 4.32Å; K134-Y178 HydrophobicContact CD-CE1 4.14Å; K134-Y178 HydrophobicContact CD-CE2 3.82Å; K134-Y178 HydrophobicContact CG-CD1 3.98Å; K134-Y178 HydrophobicContact CG-CD2 3.32Å; K134-Y178 HydrophobicContact CG-CE1 3.96Å; K134-Y178 HydrophobicContact CG-CE2 3.3Å; K134-Y178 HydrophobicContact CG-CG 3.64Å
179	Y	27.3	Very low	26.7	Very low	34 Å²	34	101.7 Å²	101.7	13%	0.133	51%	0.505	C	S	.	.			trans	80.4	162.2	170.2	-87.1	-17	0	0	0	122.5	R102 T103 R105 I111 N112	R102-Y179 HydrophobicContact CG-CE2 3.88Å; R102-Y179 PolarHBondContact NE-OH 2.81Å; T103-Y179 HydrophobicContact CG2-CD2 4.42Å; T103-Y179 WeakPolarHBondContact O-CE2 3.42Å; T103-Y179 PolarHBondContact O-OH 2.84Å; T103-Y179 VanDerWaalsContact OG1-CB 3.28Å; T103-Y179 WeakPolarHBondContact OG1-CB 3.41Å; T103-Y179 WeakPolarHBondContact OG1-CD2 3.28Å; R105-Y179 HydrophobicContact CB-CD1 4.13Å; R105-Y179 VanDerWaalsContact N-CD1 3.3Å; R105-Y179 WeakPolarHBondContact O-CD1 3.49Å; R105-Y179 WeakPolarHBondContact O-CE1 3.45Å; I111-Y179 HydrophobicContact CB-CE1 4.37Å; I111-Y179 HydrophobicContact CD1-CE1 3.71Å; I111-Y179 WeakPolarHBondContact CD1-OH 3.35Å; I111-Y179 HydrophobicContact CG1-CE1 4.12Å; N112-Y179 HydrophobicContact CB-CD2 3.82Å; N112-Y179 HydrophobicContact CB-CG 3.87Å; N112-Y179 VanDerWaalsContact N-CD2 3.35Å; N112-Y179 WeakPolarHBondContact O-CD2 3.3Å; N112-Y179 WeakPolarHBondContact O-CE2 3Å
180	P	22.4	Very low	26.6	Very low	55 Å²	55	103.4 Å²	103.4	36%	0.357	51%	0.512	S	S	.	.				-146.7	-168.4	107.2	44.5	-30.6	0	0	0	117.3	T103 N104 R105	T103-P180 WeakPolarHBondContact OG1-CA 2.99Å; T103-P180 PolarHBondContact OG1-O 3.47Å; N104-P180 CarbonylContact C-O 3.47Å; N104-P180 PolarHBondContact N-O 2.78Å; R105-P180 VanDerWaalsContact CB-CD 3.41Å; R105-P180 WeakPolarHBondContact CB-O 3.18Å; R105-P180 PolarHBondContact N-O 2.69Å
181	C	23.5	Very low	26.8	Very low	86 Å²	86	105 Å²	105	58%	0.581	52%	0.518	S	S	*	.	S	Bend	trans	65.4	79.8	165	-59.5	0	0	0	0	117.5	T103 N104	T103-C181 PolarHBondContact OG1-N 2.64Å; N104-C181 CarbonylContact C-O 3.31Å; N104-C181 WeakPolarHBondContact CA-O 3.12Å; N104-C181 WeakPolarHBondContact CB-O 3.21Å; N104-C181 VanDerWaalsContact N-C 3.25Å; N104-C181 PolarHBondContact N-O 3.16Å; N104-C181 VanDerWaalsContact N-O 3.13Å
182	R	23.4	Very low	26.9	Very low	194 Å²	194	104 Å²	104	73%	0.732	52%	0.523	S	S	*	.	S	Bend		-123.7	116.8	55.2	-156.8	159.5	-169	166.7	4.4	115.6
183	D	24.7	Very low	26.5	Very low	94 Å²	94	110.7 Å²	110.7	50%	0.503	55%	0.547	S	S	.	.			trans	68.3	96.8	146.6	-53.5	-14.1	0	0	0	122.3	K101	K101-D183 WeakPolarHBondContact CE-O 3.48Å; K101-D183 PolarHBondContact NZ-O 3.41Å
184	K	27.8	Very low	26.6	Very low	167 Å²	167	115.1 Å²	115.1	73%	0.726	57%	0.566	S	S	*	*			trans	87.1	108.7	143.9	-56.4	175.2	-178.4	179.6	0	120.2	K101	K101-K184 WeakPolarHBondContact CE-O 3.48Å; K101-K184 PolarHBondContact NZ-O 3.22Å
185	L	27.8	Very low	26.3	Very low	128 Å²	128	117.6 Å²	117.6	67%	0.67	58%	0.577	S	S	*	*			trans	-75.4	166.9	132.6	-52.6	92.3	0	0	0	108.5
186	P	29.2	Very low	26.3	Very low	122 Å²	122	123.8 Å²	123.8	79%	0.792	60%	0.6	S	S	*	*				-143.5	-152.3	73.3	45.8	-27.1	0	0	0	110.3
187	S	28.2	Very low	26.4	Very low	97 Å²	97	128.4 Å²	128.4	68%	0.678	61%	0.613	S	S	*	*			cis	-160	130.2	2.2	42.1	0	0	0	0	111.6
188	K	27.7	Very low	26.2	Very low	167 Å²	167	127 Å²	127	73%	0.726	61%	0.609	S	S	*	*			trans	-156.9	125.4	138.7	-156.4	171.6	-172.2	176.6	0	109.5	Y190	K188-Y190 WeakPolarHBondContact CE-O 3.36Å; K188-Y190 VanDerWaalsContact CG-O 3.23Å; K188-Y190 WeakPolarHBondContact CG-O 3.4Å
189	Y	25.1	Very low	26.2	Very low	200 Å²	200	130 Å²	130	78%	0.784	63%	0.63	S	S	*	*			cis	33.4	103	-30.1	-67.2	-85.6	0	0	0	118.2
190	Y	24.7	Very low	25.9	Very low	182 Å²	182	131.4 Å²	131.4	71%	0.714	64%	0.639	S	S	*	*			cis	-117.6	169.2	15.9	-95.7	-110.5	0	0	0	112.9	K188	K188-Y190 WeakPolarHBondContact CE-O 3.36Å; K188-Y190 VanDerWaalsContact CG-O 3.23Å; K188-Y190 WeakPolarHBondContact CG-O 3.4Å
191	P	28.6	Very low	26.5	Very low	90 Å²	90	132.9 Å²	132.9	58%	0.584	65%	0.649	S	S	*	*			trans	-82	-150.2	179.1	38.1	-37.8	0	0	0	111.9
192	D	25.2	Very low	26.5	Very low	124 Å²	124	136.5 Å²	136.5	66%	0.663	66%	0.661	S	S	*	*			trans	76.2	137	178.1	-54.2	-16.9	0	0	0	115.9
193	Y	25.3	Very low	26.5	Very low	184 Å²	184	131.1 Å²	131.1	72%	0.722	66%	0.658	S	S	*	*			cis	-145.7	156.5	-5.4	-136.3	-137.2	0	0	0	110
194	E	27.2	Very low	26.4	Very low	110 Å²	110	136.9 Å²	136.9	51%	0.514	68%	0.679	S	S	.	*			trans	34.1	113.4	157.2	-56.5	-175.5	128.5	0	0	118.6	R196	E194-R196 IonicContact OE1-CZ 3.14Å; E194-R196 VanDerWaalsContact OE1-CZ 3.29Å; E194-R196 IonicContact OE1-NH1 3.93Å; E194-R196 PolarHBondContact OE1-NH1 3.45Å; E194-R196 IonicContact OE1-NH2 2.73Å; E194-R196 PolarHBondContact OE1-NH2 3Å; E194-R196 IonicContact OE2-NH2 2.71Å
195	N	27.6	Very low	26.3	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	69%	0.686	S	S	*	*				-173	159.1	64.6	-79.3	-89.8	0	0	0	110.2
196	R	28.5	Very low	26.2	Very low	143 Å²	143	140.3 Å²	140.3	54%	0.54	70%	0.696	S	S	.	*			cis	-161.9	-20.5	-34.3	-144.1	171.5	-66.3	-108.9	10	114.2	E194	E194-R196 IonicContact OE1-CZ 3.14Å; E194-R196 VanDerWaalsContact OE1-CZ 3.29Å; E194-R196 IonicContact OE1-NH1 3.93Å; E194-R196 PolarHBondContact OE1-NH1 3.45Å; E194-R196 IonicContact OE1-NH2 2.73Å; E194-R196 PolarHBondContact OE1-NH2 3Å; E194-R196 IonicContact OE2-NH2 2.71Å
197	H	27.8	Very low	25.9	Very low	173 Å²	173	137.8 Å²	137.8	80%	0.801	69%	0.692	S	S	*	*			trans	-141.1	130.9	-179.2	-54.4	-69.4	0	0	0	111.7
198	L	23.3	Very low	25.9	Very low	98 Å²	98	141.8 Å²	141.8	51%	0.513	71%	0.705	S	S	.	*			cis	76.3	105.3	-5.6	-156.8	152.6	0	0	0	118.1	I200 C231	L198-I200 HydrophobicContact CD1-CD1 4.35Å; L198-I200 HydrophobicContact CD2-CD1 3.46Å; L198-I200 VanDerWaalsContact CD2-CD1 3.46Å; L198-I200 HydrophobicContact CD2-CG1 4.39Å; L198-I200 HydrophobicContact CG-CD1 3.77Å; L198-I200 HydrophobicContact CG-CG1 4.34Å; L198-C231 WeakPolarHBondContact CA-SG 3.34Å; L198-C231 PolarHBondContact N-SG 3.35Å
199	L	24.6	Very low	25.7	Very low	148 Å²	148	143.3 Å²	143.3	78%	0.775	71%	0.712	S	S	*	*			trans	-154.6	134.3	149.7	-124.6	172.6	0	0	0	110.1	C231	L199-C231 PolarHBondContact N-SG 3.4Å; L199-C231 VanDerWaalsContact O-CB 3.29Å; L199-C231 WeakPolarHBondContact O-CB 3.24Å
200	I	22.1	Very low	26	Very low	63 Å²	63	139.6 Å²	139.6	32%	0.323	71%	0.712	S	S	.	*			trans	-142.4	-172	-167.6	-17.6	96.2	0	0	0	111.5	L198 C231 Y232	L198-I200 HydrophobicContact CD1-CD1 4.35Å; L198-I200 HydrophobicContact CD2-CD1 3.46Å; L198-I200 VanDerWaalsContact CD2-CD1 3.46Å; L198-I200 HydrophobicContact CD2-CG1 4.39Å; L198-I200 HydrophobicContact CG-CD1 3.77Å; L198-I200 HydrophobicContact CG-CG1 4.34Å; I200-C231 HydrophobicContact CG1-CB 3.78Å; I200-Y232 WeakPolarHBondContact CD1-O 3.38Å; I200-Y232 WeakPolarHBondContact CG1-O 2.91Å
201	P	33.5	Very low	26.6	Very low	87 Å²	87	136.6 Å²	136.6	57%	0.565	72%	0.715	S	S	*	*				-91	-174.2	-123.7	45.2	-34.4	0	0	0	113.7
202	L	23.6	Very low	26.4	Very low	161 Å²	161	140.9 Å²	140.9	84%	0.843	72%	0.724	S	S	*	*			trans	165.3	144.6	146	-88.8	157.9	0	0	0	106.6
203	A	24.1	Very low	26.8	Very low	81 Å²	81	142.3 Å²	142.3	67%	0.669	73%	0.727	S	S	*	*			cis	-156.2	168.7	-10.9	0	0	0	0	0	109.2	L205	A203-L205 PolarHBondContact O-N 2.88Å
204	F	22.3	Very low	26.6	Very low	215 Å²	215	145.3 Å²	145.3	94%	0.943	74%	0.737	S	S	*	*			trans	-66.4	127.9	161	-102.2	-98.8	0	0	0	110.2
205	L	26.3	Very low	26.8	Very low	166 Å²	166	145.2 Å²	145.2	87%	0.869	75%	0.746	S	S	*	*			trans	-156.4	159.4	154.3	-112.8	170.5	0	0	0	112	A203	A203-L205 PolarHBondContact O-N 2.88Å
206	K	24.5	Very low	26.7	Very low	201 Å²	201	147.4 Å²	147.4	87%	0.874	75%	0.746	S	S	*	*			trans	-76.3	133.7	-163.9	-61	169.9	177.8	175	0	114
207	G	24.8	Very low	26.6	Very low	70 Å²	70	146 Å²	146	72%	0.722	76%	0.755	S	S	*	*				106.6	145.3	129.9	0	0	0	0	0	119.8
208	L	27.4	Very low	26.6	Very low	181 Å²	181	145.1 Å²	145.1	95%	0.948	76%	0.755	S	S	*	*			trans	78.1	114.2	157.6	-55.1	174.2	0	0	0	120.2
209	K	23.9	Very low	26.6	Very low	199 Å²	199	151.9 Å²	151.9	87%	0.865	77%	0.773	S	S	*	*			trans	-43.1	175.2	152.8	-71.2	179.1	172	179.5	0	114.2
210	P	30.1	Very low	26.6	Very low	121 Å²	121	153.6 Å²	153.6	79%	0.786	77%	0.771	S	S	*	*			cis	-136.1	-162.9	6.6	24.3	4.2	0	0	0	114.3
211	P	37.1	Very low	26.7	Very low	119 Å²	119	158.4 Å²	158.4	77%	0.773	79%	0.786	S	S	*	*			trans	-114.5	172.9	-171.7	42.5	-34.2	0	0	0	116.5
212	K	26.3	Very low	26.3	Very low	180 Å²	180	160 Å²	160	78%	0.783	79%	0.79	S	S	*	*			trans	-174.2	160	144.7	-119.6	159.6	159	-103.9	0	117.2
213	E	31.7	Very low	26.3	Very low	155 Å²	155	162.5 Å²	162.5	72%	0.724	79%	0.788	S	S	*	*			trans	86.5	153.2	152	-80.5	147.7	-136.6	0	0	122.9
214	W	22.5	Very low	26.3	Very low	246 Å²	246	165.8 Å²	165.8	93%	0.932	79%	0.794	S	S	*	*			trans	-110.6	-164.9	-162.2	-79.3	7.4	0	0	0	111.5
215	P	31.5	Very low	26.4	Very low	109 Å²	109	161.3 Å²	161.3	71%	0.708	79%	0.789	S	S	*	*			cis	-129.5	-175.1	-18	16.3	10.3	0	0	0	115
216	Y	24.1	Very low	26.6	Very low	180 Å²	180	159.3 Å²	159.3	71%	0.706	78%	0.775	S	S	*	*			trans	-44.4	157.7	161.5	-58.7	-83.1	0	0	0	114.6
217	P	26.5	Very low	27	Very low	114 Å²	114	153.7 Å²	153.7	74%	0.74	75%	0.754	S	S	*	*			cis	-133.1	-178.2	33.9	36.8	-14.6	0	0	0	114.7
218	I	28.5	Very low	27.7	Very low	154 Å²	154	154.7 Å²	154.7	79%	0.79	75%	0.748	S	S	*	*				-167	148.8	80.8	-79.2	158.3	0	0	0	109.8
219	R	23	Very low	28.2	Very low	239 Å²	239	149.3 Å²	149.3	90%	0.902	72%	0.718	S	S	*	*			trans	-119	128.4	153.7	-54.1	-176.3	-162.6	-164.3	4.4	109
220	Y	24.4	Very low	28.5	Very low	184 Å²	184	142.6 Å²	142.6	72%	0.722	70%	0.696	S	S	*	*			trans	-161.7	106.8	138.3	-137.7	-104.8	0	0	0	113.6
221	Y	24.2	Very low	28.2	Very low	165 Å²	165	138.8 Å²	138.8	65%	0.647	67%	0.672	S	S	*	*			trans	72.5	139	139.6	-80.3	-125.6	0	0	0	123.3
222	D	24.9	Very low	27.5	Very low	120 Å²	120	141.8 Å²	141.8	64%	0.642	67%	0.669	S	S	*	*			trans	87.9	108.9	141.5	-64.3	-21	0	0	0	125.6
223	W	24.2	Very low	27.3	Very low	213 Å²	213	140.5 Å²	140.5	81%	0.807	67%	0.666	S	S	*	*			trans	73.3	94.2	137	-67.9	48.2	0	0	0	121.6
224	L	23.7	Very low	26.7	Very low	150 Å²	150	140.4 Å²	140.4	79%	0.785	67%	0.67	S	S	*	*			trans	67.9	126.6	134.4	-58.7	153.9	0	0	0	121.2
225	S	25.3	Very low	26.8	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	67%	0.665	S	S	*	*			trans	114.6	-180	166	-42.6	0	0	0	0	118.5
226	E	30.5	Very low	27.2	Very low	125 Å²	125	136 Å²	136	58%	0.584	67%	0.671	S	S	*	*			trans	-148.9	172.8	-156.4	-78.4	171.3	87.9	0	0	114.3	F163	F163-E226 WeakPolarHBondContact CE1-OE2 3.3Å
227	L	32.4	Very low	28.1	Very low	82 Å²	82	133.8 Å²	133.8	43%	0.429	68%	0.679	S	S	.	*			cis	-164.8	-171	-9.8	-99.6	170.4	0	0	0	112.2	Q162	Q162-L227 HydrophobicContact CB-CB 4.17Å; Q162-L227 WeakPolarHBondContact O-CD1 3.3Å; Q162-L227 PolarHBondContact OE1-O 3.17Å
228	P	38.9	Very low	28.7	Very low	91 Å²	91	133.7 Å²	133.7	59%	0.591	68%	0.681	S	S	*	*			trans	-144.6	172.9	179.6	44	-27.9	0	0	0	120.6	Q162	Q162-P228 VanDerWaalsContact OE1-CA 3.3Å
229	Q	38.8	Very low	29.2	Very low	69 Å²	69	137.7 Å²	137.7	32%	0.322	69%	0.688	S	S	.	*			trans	-166.1	-161	174.3	-108.1	-92.2	11.3	0	0	121.2	Y158 R159	Y158-Q229 VanDerWaalsContact CD1-NE2 3.32Å; R159-Q229 HydrophobicContact CB-CB 3.82Å; R159-Q229 HydrophobicContact CB-CG 4.02Å; R159-Q229 HydrophobicContact CG-CB 3.9Å
230	S	29.4	Very low	29.9	Very low	58 Å²	58	135.9 Å²	135.9	41%	0.406	69%	0.69	S	S	.	*			trans	-130.7	-164.7	-150.2	71.6	0	0	0	0	123.8	R159	R159-S230 WeakPolarHBondContact CD-O 3.49Å; R159-S230 VanDerWaalsContact CZ-C 3.46Å; R159-S230 PolarHBondContact NE-O 3.37Å; R159-S230 VanDerWaalsContact NH1-C 3.27Å; R159-S230 PolarHBondContact NH1-O 3.17Å; R159-S230 PolarHBondContact NH2-OG 3.19Å
231	C	24	Very low	30.5	Very low	41 Å²	41	131.6 Å²	131.6	28%	0.277	69%	0.692	S	S	.	*			trans	-149.2	178.6	-157.9	-49.6	0	0	0	0	120.5	L198 L199 I200	L198-C231 WeakPolarHBondContact CA-SG 3.34Å; L198-C231 PolarHBondContact N-SG 3.35Å; L199-C231 PolarHBondContact N-SG 3.4Å; L199-C231 VanDerWaalsContact O-CB 3.29Å; L199-C231 WeakPolarHBondContact O-CB 3.24Å; I200-C231 HydrophobicContact CG1-CB 3.78Å
232	Y	22.9	Very low	31.3	Very low	182 Å²	182	131.7 Å²	131.7	71%	0.714	70%	0.697	S	S	*	*			trans	-161.5	169.2	175.3	-154.7	-115.5	0	0	0	120.3	I200	I200-Y232 WeakPolarHBondContact CD1-O 3.38Å; I200-Y232 WeakPolarHBondContact CG1-O 2.91Å
233	E	22.9	Very low	32.4	Very low	152 Å²	152	131.9 Å²	131.9	71%	0.71	69%	0.692	S	S	*	*			trans	112.5	156.2	161	-59.6	178.8	-131.2	0	0	125.5
234	L	19.4	Very low	33.6	Very low	154 Å²	154	128.3 Å²	128.3	81%	0.806	69%	0.687	S	S	*	*			trans	-171.2	179.5	179.3	-115.6	173	0	0	0	120.9
235	V	24.5	Very low	34.9	Very low	137 Å²	137	121.9 Å²	121.9	83%	0.83	66%	0.656	S	S	*	*			trans	-157.9	-176.5	-171.7	82.5	0	0	0	0	121.5
236	C	39.5	Very low	36.2	Very low	125 Å²	125	120 Å²	120	85%	0.845	63%	0.631	S	S	*	*			trans	-139.4	0	-156.4	-64.8	0	0	0	0	123.2
237	P	41.9	Very low	37.6	Very low	134 Å²	134	117.5 Å²	117.5	87%	0.87	62%	0.624	S	S	*	*				0	-167.1	0	45.4	-30.1	0	0	0	123.4
238	S	40.6	Very low	38.4	Very low	112 Å²	112	115.5 Å²	115.5	78%	0.783	62%	0.624	S	S	*	*			trans	-141.2	44.3	-166.4	81.4	0	0	0	0	124.6
239	Y	37.2	Very low	39.1	Very low	237 Å²	237	121.5 Å²	121.5	93%	0.929	64%	0.636	S	S	*	*			trans	-111.6	118.3	175.7	-96.6	-125.3	0	0	0	111.8
240	Q	38.9	Very low	39.6	Very low	201 Å²	201	124.7 Å²	124.7	94%	0.939	66%	0.655	S	S	*	*			trans	-113.5	103.5	-175.5	-72.4	-179.8	-40.2	0	0	113
241	A	37.3	Very low	41	Very low	94 Å²	94	125.5 Å²	125.5	78%	0.777	66%	0.659	S	S	*	*			trans	-119.2	61.3	178.4	0	0	0	0	0	111.2
242	F	40.5	Very low	42.4	Very low	168 Å²	168	128.6 Å²	128.6	74%	0.737	67%	0.67	S	S	*	*			trans	-146.9	134.2	-177.2	-97.1	-74.2	0	0	0	113.7
243	F	46.8	Very low	44	Very low	123 Å²	123	126.3 Å²	126.3	54%	0.539	66%	0.663	S	S	.	*			trans	64	123.2	168.7	-53.3	-66.5	0	0	0	119.3
244	I	50.6	Low	46	Very low	138 Å²	138	120.8 Å²	120.8	71%	0.708	64%	0.639	S	S	*	*			trans	-132.1	93.9	161.9	-50.4	175.1	0	0	0	106.1	Y246 I255	I244-Y246 VanDerWaalsContact C-N 3.27Å; I244-Y246 WeakPolarHBondContact CG2-O 3.38Å; I244-Y246 PolarHBondContact O-N 2.79Å; I244-I255 WeakPolarHBondContact O-CD1 3.06Å
245	A	50.5	Low	48.3	Very low	16 Å²	16	115.3 Å²	115.3	13%	0.132	61%	0.61	C	S	.	*			trans	-80.1	-5	-174.9	0	0	0	0	0	114.5	I255 T276	A245-I255 PolarHBondContact O-N 2.93Å; A245-I255 VanDerWaalsContact O-N 3.16Å; A245-T276 WeakPolarHBondContact CB-O 3.02Å
246	Y	52.4	Low	50.7	Low	81 Å²	81	111.7 Å²	111.7	32%	0.318	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.6	144.9	-176	-68.8	-83.3	0	0	0	111.9	I244 C251 K253 N275 T276	I244-Y246 VanDerWaalsContact C-N 3.27Å; I244-Y246 WeakPolarHBondContact CG2-O 3.38Å; I244-Y246 PolarHBondContact O-N 2.79Å; Y246-C251 VanDerWaalsContact CD1-O 3.24Å; Y246-C251 WeakPolarHBondContact CD1-O 3.4Å; Y246-C251 HydrophobicContact CG-CB 4.1Å; Y246-K253 CarbonylContact C-O 3.33Å; Y246-K253 WeakPolarHBondContact CA-O 2.99Å; Y246-N275 VanDerWaalsContact CE1-O 3.23Å; Y246-N275 WeakPolarHBondContact CE1-O 3.18Å; Y246-N275 VanDerWaalsContact CZ-O 3.23Å; Y246-N275 PolarHBondContact OH-O 3.43Å; Y246-T276 WeakPolarHBondContact OH-CA 3.41Å; Y246-T276 VanDerWaalsContact OH-CG2 3.3Å; Y246-T276 WeakPolarHBondContact OH-CG2 3.33Å
247	T	60	Low	52.5	Low	73 Å²	73	106.2 Å²	106.2	45%	0.448	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	176.6	174.4	-167.2	0	0	0	0	111	C251 E252 K253 I255	T247-C251 CarbonylContact O-C 3.08Å; T247-E252 PolarHBondContact O-N 2.89Å; T247-K253 HydrophobicContact CG2-CB 3.94Å; T247-K253 PolarHBondContact N-O 3.08Å; T247-K253 PolarHBondContact O-N 3.15Å; T247-I255 HydrophobicContact CG2-CG1 3.73Å
248	G	48.9	Very low	54.3	Low	40 Å²	40	101.2 Å²	101.2	41%	0.412	52%	0.516	S	S	.	.	S	Bend	trans	95	-179.3	-166.8	0	0	0	0	0	112.6	L250 E252	G248-L250 VanDerWaalsContact C-N 3.35Å; G248-E252 VanDerWaalsContact CA-OE1 3.31Å; G248-E252 WeakPolarHBondContact CA-OE1 3.45Å; G248-E252 VanDerWaalsContact CA-OE2 3.31Å; G248-E252 WeakPolarHBondContact CA-OE2 3.47Å
249	Y	54	Low	56.1	Low	216 Å²	216	99.6 Å²	99.6	85%	0.847	51%	0.509	S	S	*	.	S	Bend	trans	-82	-14.7	-173.3	-175.6	-106.5	0	0	0	113.4	E252	Y249-E252 PolarHBondContact N-OE1 3.4Å; Y249-E252 PolarHBondContact N-OE2 3.43Å
250	L	49	Very low	57.8	Low	137 Å²	137	97 Å²	97	72%	0.717	50%	0.499	S	S	*	.	S	Bend	trans	-132.9	17.6	-174.8	-60.4	173	0	0	0	111.9	G248 E252	G248-L250 VanDerWaalsContact C-N 3.35Å; L250-E252 WeakPolarHBondContact CA-OE2 3.38Å; L250-E252 HydrophobicContact CB-CB 4.39Å; L250-E252 PolarHBondContact N-OE2 3.38Å; L250-E252 PolarHBondContact O-N 3.4Å
251	C	59.7	Low	59.2	Low	74 Å²	74	90 Å²	90	50%	0.5	48%	0.481	S	S	.	.	S	Bend	trans	57.6	33.4	-167.1	-64.1	0	0	0	0	112.8	Y246 T247	Y246-C251 VanDerWaalsContact CD1-O 3.24Å; Y246-C251 WeakPolarHBondContact CD1-O 3.4Å; Y246-C251 HydrophobicContact CG-CB 4.1Å; T247-C251 CarbonylContact O-C 3.08Å
252	E	53.9	Low	60.8	Low	107 Å²	107	89.9 Å²	89.9	50%	0.5	47%	0.47	S	S	.	.			trans	-86.8	-4.8	-170.4	78.2	-73.4	179.1	0	0	115.2	T247 G248 Y249 L250	T247-E252 PolarHBondContact O-N 2.89Å; G248-E252 VanDerWaalsContact CA-OE1 3.31Å; G248-E252 WeakPolarHBondContact CA-OE1 3.45Å; G248-E252 VanDerWaalsContact CA-OE2 3.31Å; G248-E252 WeakPolarHBondContact CA-OE2 3.47Å; Y249-E252 PolarHBondContact N-OE1 3.4Å; Y249-E252 PolarHBondContact N-OE2 3.43Å; L250-E252 WeakPolarHBondContact CA-OE2 3.38Å; L250-E252 HydrophobicContact CB-CB 4.39Å; L250-E252 PolarHBondContact N-OE2 3.38Å; L250-E252 PolarHBondContact O-N 3.4Å
253	K	56	Low	62.4	Low	134 Å²	134	84.6 Å²	84.6	58%	0.583	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.1	175	-65.1	178.5	-176.6	176	0	109.7	Y246 T247	Y246-K253 CarbonylContact C-O 3.33Å; Y246-K253 WeakPolarHBondContact CA-O 2.99Å; T247-K253 HydrophobicContact CG2-CB 3.94Å; T247-K253 PolarHBondContact N-O 3.08Å; T247-K253 PolarHBondContact O-N 3.15Å
254	N	65.2	Low	63.7	Low	36 Å²	36	82.6 Å²	82.6	19%	0.193	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	144.4	166	-162.8	63	0	0	0	109.8	D273 T274 N275 T276	N254-D273 PolarHBondContact ND2-OD1 3.26Å; N254-D273 PolarHBondContact ND2-OD2 2.7Å; N254-T274 VanDerWaalsContact CG-O 3.27Å; N254-T274 PolarHBondContact ND2-O 3.46Å; N254-T274 PolarHBondContact OD1-O 3.15Å; N254-T274 VanDerWaalsContact OD1-O 3.07Å; N254-N275 VanDerWaalsContact OD1-C 3.24Å; N254-T276 PolarHBondContact OD1-N 3.34Å
255	I	67.7	Low	65	Low	38 Å²	38	76.8 Å²	76.8	20%	0.195	41%	0.414	C	S	.	.			trans	-91.2	118.5	165.3	-56.7	177	0	0	0	106.3	I244 A245 T247 E257 Y260	I244-I255 WeakPolarHBondContact O-CD1 3.06Å; A245-I255 PolarHBondContact O-N 2.93Å; A245-I255 VanDerWaalsContact O-N 3.16Å; T247-I255 HydrophobicContact CG2-CG1 3.73Å; I255-E257 HydrophobicContact CB-CG 4.22Å; I255-E257 HydrophobicContact CG2-CG 4.07Å; I255-E257 WeakPolarHBondContact O-CG 3.24Å; I255-E257 PolarHBondContact O-N 3Å; I255-Y260 HydrophobicContact CG2-CD2 4.47Å
256	D	74.1	Confident	66.2	Low	62 Å²	62	78.5 Å²	78.5	33%	0.332	42%	0.424	S	S	.	.			trans	-69.2	87.8	167.8	-178.1	-16.3	0	0	0	108.3	C258 A259 Y260	D256-C258 PolarHBondContact O-N 3.1Å; D256-C258 WeakPolarHBondContact OD1-CB 3.33Å; D256-C258 PolarHBondContact OD1-N 3.4Å; D256-A259 HydrophobicContact CB-CB 4.12Å; D256-A259 PolarHBondContact O-N 3.42Å; D256-A259 WeakPolarHBondContact OD1-CB 3.17Å; D256-A259 PolarHBondContact OD1-N 2.61Å; D256-A259 VanDerWaalsContact OD2-CB 3.25Å; D256-A259 WeakPolarHBondContact OD2-CB 3.21Å; D256-Y260 PolarHBondContact O-N 3.09Å
257	E	77	Confident	67.1	Low	9 Å²	9	80.1 Å²	80.1	4%	0.042	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.4	-174.5	-63.8	124.9	136.6	0	0	111.7	I255 G261 V262 H263 S277 Y278	I255-E257 HydrophobicContact CB-CG 4.22Å; I255-E257 HydrophobicContact CG2-CG 4.07Å; I255-E257 WeakPolarHBondContact O-CG 3.24Å; I255-E257 PolarHBondContact O-N 3Å; E257-G261 PolarHBondContact O-N 3.45Å; E257-G261 VanDerWaalsContact O-N 3.16Å; E257-V262 HydrophobicContact CB-CG2 3.79Å; E257-V262 HydrophobicContact CG-CG2 3.9Å; E257-V262 PolarHBondContact O-N 3.31Å; E257-H263 HydrophobicContact CB-CB 4.44Å; E257-H263 PolarHBondContact O-CD2 3.25Å; E257-H263 PolarHBondContact O-N 2.9Å; E257-S277 PolarHBondContact OE1-OG 3.09Å; E257-S277 VanDerWaalsContact OE2-CA 3.25Å; E257-S277 WeakPolarHBondContact OE2-CA 3.38Å; E257-S277 PolarHBondContact OE2-OG 2.59Å; E257-Y278 HydrophobicContact CB-CD1 3.54Å; E257-Y278 HydrophobicContact CB-CE1 4.16Å; E257-Y278 HydrophobicContact CB-CG 4.24Å; E257-Y278 HydrophobicContact CG-CD1 3.96Å; E257-Y278 HydrophobicContact CG-CE1 4.44Å; E257-Y278 WeakPolarHBondContact OE2-CD1 3.45Å; E257-Y278 PolarHBondContact OE2-N 2.98Å
258	C	80.1	Confident	67.6	Low	30 Å²	30	80.9 Å²	80.9	20%	0.203	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-50.6	173.2	-56.2	0	0	0	0	111.3	D256 Y260 G261 C271 R272 D273	D256-C258 PolarHBondContact O-N 3.1Å; D256-C258 WeakPolarHBondContact OD1-CB 3.33Å; D256-C258 PolarHBondContact OD1-N 3.4Å; C258-Y260 VanDerWaalsContact C-N 3.35Å; C258-Y260 PolarHBondContact O-N 2.85Å; C258-G261 PolarHBondContact O-N 3.16Å; C258-C271 VanDerWaalsContact CA-SG 3.51Å; C258-C271 HydrophobicContact CB-CB 3.74Å; C258-C271 WeakPolarHBondContact CB-SG 3.26Å; C258-C271 WeakPolarHBondContact SG-CB 3.06Å; C258-C271 CovalentContact SG-SG 2.04Å; C258-C271 PolarHBondContact SG-SG 3.1Å; C258-R272 VanDerWaalsContact SG-C 3.57Å; C258-R272 PolarHBondContact SG-N 3.37Å; C258-R272 VanDerWaalsContact SG-N 3.41Å; C258-D273 PolarHBondContact SG-N 3Å
259	A	77.8	Confident	68.8	Low	77 Å²	77	80.8 Å²	80.8	64%	0.636	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-29.2	179.4	0	0	0	0	0	113.4	D256	D256-A259 HydrophobicContact CB-CB 4.12Å; D256-A259 PolarHBondContact O-N 3.42Å; D256-A259 WeakPolarHBondContact OD1-CB 3.17Å; D256-A259 PolarHBondContact OD1-N 2.61Å; D256-A259 VanDerWaalsContact OD2-CB 3.25Å; D256-A259 WeakPolarHBondContact OD2-CB 3.21Å
260	Y	72.8	Confident	70.1	Confident	182 Å²	182	75.6 Å²	75.6	71%	0.714	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.8	174.3	-86.7	-85.4	0	0	0	114.3	I255 D256 C258 V262	I255-Y260 HydrophobicContact CG2-CD2 4.47Å; D256-Y260 PolarHBondContact O-N 3.09Å; C258-Y260 VanDerWaalsContact C-N 3.35Å; C258-Y260 PolarHBondContact O-N 2.85Å; Y260-V262 VanDerWaalsContact C-N 3.32Å; Y260-V262 PolarHBondContact O-N 3.17Å
261	G	69.2	Low	71.7	Confident	55 Å²	55	70.3 Å²	70.3	57%	0.567	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	29.8	-179.5	0	0	0	0	0	113.9	E257 C258	E257-G261 PolarHBondContact O-N 3.45Å; E257-G261 VanDerWaalsContact O-N 3.16Å; C258-G261 PolarHBondContact O-N 3.16Å
262	V	71.2	Confident	72.6	Confident	92 Å²	92	72 Å²	72	56%	0.558	42%	0.421	S	S	*	.			trans	-110.5	22.4	-179.6	-63.5	0	0	0	0	112.5	E257 Y260	E257-V262 HydrophobicContact CB-CG2 3.79Å; E257-V262 HydrophobicContact CG-CG2 3.9Å; E257-V262 PolarHBondContact O-N 3.31Å; Y260-V262 VanDerWaalsContact C-N 3.32Å; Y260-V262 PolarHBondContact O-N 3.17Å
263	H	73	Confident	73.7	Confident	57 Å²	57	69.7 Å²	69.7	26%	0.264	41%	0.413	S	S	.	.			trans	-96	148.4	175.5	67.9	101.1	0	0	0	111.6	E257 C265 C271 Y278	E257-H263 HydrophobicContact CB-CB 4.44Å; E257-H263 PolarHBondContact O-CD2 3.25Å; E257-H263 PolarHBondContact O-N 2.9Å; H263-C265 VanDerWaalsContact ND1-CB 3.29Å; H263-C265 WeakPolarHBondContact ND1-CB 3.36Å; H263-C265 PolarHBondContact ND1-N 2.82Å; H263-C265 PolarHBondContact ND1-SG 3.48Å; H263-C265 PolarHBondContact O-N 3.31Å; H263-C271 VanDerWaalsContact CB-SG 3.59Å; H263-Y278 HydrophobicContact CB-CD1 4.1Å; H263-Y278 HydrophobicContact CB-CD2 3.68Å; H263-Y278 HydrophobicContact CB-CE1 4.09Å; H263-Y278 HydrophobicContact CB-CE2 3.67Å; H263-Y278 HydrophobicContact CB-CG 3.9Å
264	N	74.7	Confident	74.2	Confident	80 Å²	80	65.5 Å²	65.5	43%	0.428	40%	0.398	S	S	.	.			trans	-95.1	24.7	179.7	-68.5	-47.8	0	0	0	113.4	Y278 N290	N264-Y278 WeakPolarHBondContact CB-OH 3.48Å; N264-Y278 PolarHBondContact N-OH 2.94Å; N264-Y278 PolarHBondContact ND2-OH 3.16Å; N264-N290 WeakPolarHBondContact CB-OD1 3.24Å
265	C	77.8	Confident	73.8	Confident	17 Å²	17	70.2 Å²	70.2	12%	0.115	42%	0.424	C	S	.	.			trans	-70.9	131.9	-178.4	-55.5	0	0	0	0	111.8	H263 T269 C280	H263-C265 VanDerWaalsContact ND1-CB 3.29Å; H263-C265 WeakPolarHBondContact ND1-CB 3.36Å; H263-C265 PolarHBondContact ND1-N 2.82Å; H263-C265 PolarHBondContact ND1-SG 3.48Å; H263-C265 PolarHBondContact O-N 3.31Å; C265-T269 WeakPolarHBondContact CB-OG1 3.14Å; C265-C280 WeakPolarHBondContact CA-SG 3.23Å; C265-C280 HydrophobicContact CB-CB 3.77Å; C265-C280 WeakPolarHBondContact CB-SG 3Å; C265-C280 VanDerWaalsContact SG-CA 3.59Å; C265-C280 WeakPolarHBondContact SG-CB 3.36Å; C265-C280 CovalentContact SG-SG 2.03Å; C265-C280 PolarHBondContact SG-SG 2.91Å
266	P	76.2	Confident	73.2	Confident	51 Å²	51	72.9 Å²	72.9	33%	0.331	44%	0.442	S	S	.	.			trans	-57.4	141.6	177.4	-26.7	35.3	0	0	0	112.5	G268 T269 N290 C291	P266-G268 PolarHBondContact O-N 2.79Å; P266-T269 HydrophobicContact CB-CG2 4.47Å; P266-T269 PolarHBondContact O-N 3.1Å; P266-T269 PolarHBondContact O-OG1 2.87Å; P266-N290 WeakPolarHBondContact CD-O 3.43Å; P266-N290 WeakPolarHBondContact CG-O 3.48Å; P266-C291 HydrophobicContact CG-CB 4.33Å
267	A	70	Confident	72.8	Confident	116 Å²	116	71.3 Å²	71.3	96%	0.959	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	113.2	179.8	0	0	0	0	0	111.2
268	G	71.9	Confident	72.7	Confident	88 Å²	88	71.4 Å²	71.4	91%	0.907	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.5	-6.8	-174.2	0	0	0	0	0	115.2	P266	P266-G268 PolarHBondContact O-N 2.79Å
269	T	73	Confident	72.4	Confident	38 Å²	38	75 Å²	75	23%	0.233	45%	0.445	C	S	.	.	S	Bend	trans	-95.8	150.4	171.9	56.3	0	0	0	0	111.9	C265 P266 V281 C291	C265-T269 WeakPolarHBondContact CB-OG1 3.14Å; P266-T269 HydrophobicContact CB-CG2 4.47Å; P266-T269 PolarHBondContact O-N 3.1Å; P266-T269 PolarHBondContact O-OG1 2.87Å; T269-V281 WeakPolarHBondContact CB-O 3.35Å; T269-C291 HydrophobicContact CG2-CB 4.45Å
270	E	81.6	Confident	72.4	Confident	107 Å²	107	71.7 Å²	71.7	50%	0.5	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.4	178.8	-178.7	-170	140.3	0	0	109.7	R272 V281	E270-R272 IonicContact OE1-CZ 3.71Å; E270-R272 IonicContact OE1-NE 3.14Å; E270-R272 PolarHBondContact OE1-NE 2.91Å; E270-R272 IonicContact OE1-NH2 3.49Å; E270-R272 PolarHBondContact OE1-NH2 3.33Å; E270-R272 IonicContact OE2-NH2 3.77Å; E270-V281 HydrophobicContact CB-CB 4.09Å; E270-V281 HydrophobicContact CB-CG2 4.29Å; E270-V281 WeakPolarHBondContact O-CB 3.44Å; E270-V281 WeakPolarHBondContact O-CG2 3.28Å; E270-V281 PolarHBondContact O-N 2.03Å
271	C	83.3	Confident	72.7	Confident	27 Å²	27	65.2 Å²	65.2	18%	0.182	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.4	174.6	-172.2	0	0	0	0	110.3	C258 H263	C258-C271 VanDerWaalsContact CA-SG 3.51Å; C258-C271 HydrophobicContact CB-CB 3.74Å; C258-C271 WeakPolarHBondContact CB-SG 3.26Å; C258-C271 WeakPolarHBondContact SG-CB 3.06Å; C258-C271 CovalentContact SG-SG 2.04Å; C258-C271 PolarHBondContact SG-SG 3.1Å; H263-C271 VanDerWaalsContact CB-SG 3.59Å
272	R	78.5	Confident	73.1	Confident	108 Å²	108	64.3 Å²	64.3	41%	0.408	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.7	173.9	-72.4	-172.9	176.6	170	7.6	111.5	C258 E270 Y278 Y279 V281	C258-R272 VanDerWaalsContact SG-C 3.57Å; C258-R272 PolarHBondContact SG-N 3.37Å; C258-R272 VanDerWaalsContact SG-N 3.41Å; E270-R272 IonicContact OE1-CZ 3.71Å; E270-R272 IonicContact OE1-NE 3.14Å; E270-R272 PolarHBondContact OE1-NE 2.91Å; E270-R272 IonicContact OE1-NH2 3.49Å; E270-R272 PolarHBondContact OE1-NH2 3.33Å; E270-R272 IonicContact OE2-NH2 3.77Å; R272-Y278 CarbonylContact O-C 3.58Å; R272-Y278 VanDerWaalsContact O-CA 3.28Å; R272-Y278 WeakPolarHBondContact O-CA 3.36Å; R272-Y279 HydrophobicContact CB-CD1 4.25Å; R272-Y279 HydrophobicContact CB-CE1 3.74Å; R272-Y279 HydrophobicContact CB-CE2 4.26Å; R272-Y279 VanDerWaalsContact CD-OH 3.27Å; R272-Y279 WeakPolarHBondContact CD-OH 3.32Å; R272-Y279 PolarHBondContact N-O 2.96Å; R272-Y279 PolarHBondContact O-N 2.95Å; R272-V281 HydrophobicContact CG-CG2 3.87Å
273	D	76.7	Confident	73.1	Confident	60 Å²	60	63.2 Å²	63.2	32%	0.321	38%	0.383	S	S	.	.			trans	-69.7	147.8	173.5	-173.1	34.3	0	0	0	112	N254 C258	N254-D273 PolarHBondContact ND2-OD1 3.26Å; N254-D273 PolarHBondContact ND2-OD2 2.7Å; C258-D273 PolarHBondContact SG-N 3Å
274	T	66.4	Low	73.1	Confident	46 Å²	46	68.3 Å²	68.3	28%	0.282	41%	0.411	S	S	.	.			trans	-141.7	155.8	167.5	83	0	0	0	0	109.4	N254 T276 S277 Y279	N254-T274 VanDerWaalsContact CG-O 3.27Å; N254-T274 PolarHBondContact ND2-O 3.46Å; N254-T274 PolarHBondContact OD1-O 3.15Å; N254-T274 VanDerWaalsContact OD1-O 3.07Å; T274-T276 PolarHBondContact O-N 2.85Å; T274-T276 PolarHBondContact OG1-OG1 3.07Å; T274-S277 WeakPolarHBondContact CB-O 3.26Å; T274-S277 PolarHBondContact N-O 3.19Å; T274-S277 PolarHBondContact O-N 3.34Å; T274-S277 PolarHBondContact OG1-O 3.1Å; T274-Y279 HydrophobicContact CG2-CD1 3.57Å; T274-Y279 HydrophobicContact CG2-CE1 3.59Å
275	N	57.2	Low	72.9	Confident	135 Å²	135	64.9 Å²	64.9	72%	0.722	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	7.2	-179.4	-66.2	-10.8	0	0	0	116.7	Y246 N254	Y246-N275 VanDerWaalsContact CE1-O 3.23Å; Y246-N275 WeakPolarHBondContact CE1-O 3.18Å; Y246-N275 VanDerWaalsContact CZ-O 3.23Å; Y246-N275 PolarHBondContact OH-O 3.43Å; N254-N275 VanDerWaalsContact OD1-C 3.24Å
276	T	55.6	Low	72.9	Confident	94 Å²	94	67.2 Å²	67.2	58%	0.577	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	-19.7	178.5	38.7	0	0	0	0	114.7	A245 Y246 N254 T274	A245-T276 WeakPolarHBondContact CB-O 3.02Å; Y246-T276 WeakPolarHBondContact OH-CA 3.41Å; Y246-T276 VanDerWaalsContact OH-CG2 3.3Å; Y246-T276 WeakPolarHBondContact OH-CG2 3.33Å; N254-T276 PolarHBondContact OD1-N 3.34Å; T274-T276 PolarHBondContact O-N 2.85Å; T274-T276 PolarHBondContact OG1-OG1 3.07Å
277	S	65.4	Low	72.7	Confident	28 Å²	28	67.9 Å²	67.9	20%	0.196	41%	0.405	C	S	.	.			trans	155.1	168.8	177	-164.5	0	0	0	0	107.9	E257 T274	E257-S277 PolarHBondContact OE1-OG 3.09Å; E257-S277 VanDerWaalsContact OE2-CA 3.25Å; E257-S277 WeakPolarHBondContact OE2-CA 3.38Å; E257-S277 PolarHBondContact OE2-OG 2.59Å; T274-S277 WeakPolarHBondContact CB-O 3.26Å; T274-S277 PolarHBondContact N-O 3.19Å; T274-S277 PolarHBondContact O-N 3.34Å; T274-S277 PolarHBondContact OG1-O 3.1Å
278	Y	73.7	Confident	72.6	Confident	12 Å²	12	63.3 Å²	63.3	5%	0.047	37%	0.369	C	S	.	.			trans	-64.4	160.6	169.5	71	-76.5	0	0	0	114.5	E257 H263 N264 R272	E257-Y278 HydrophobicContact CB-CD1 3.54Å; E257-Y278 HydrophobicContact CB-CE1 4.16Å; E257-Y278 HydrophobicContact CB-CG 4.24Å; E257-Y278 HydrophobicContact CG-CD1 3.96Å; E257-Y278 HydrophobicContact CG-CE1 4.44Å; E257-Y278 WeakPolarHBondContact OE2-CD1 3.45Å; E257-Y278 PolarHBondContact OE2-N 2.98Å; H263-Y278 HydrophobicContact CB-CD1 4.1Å; H263-Y278 HydrophobicContact CB-CD2 3.68Å; H263-Y278 HydrophobicContact CB-CE1 4.09Å; H263-Y278 HydrophobicContact CB-CE2 3.67Å; H263-Y278 HydrophobicContact CB-CG 3.9Å; N264-Y278 WeakPolarHBondContact CB-OH 3.48Å; N264-Y278 PolarHBondContact N-OH 2.94Å; N264-Y278 PolarHBondContact ND2-OH 3.16Å; R272-Y278 CarbonylContact O-C 3.58Å; R272-Y278 VanDerWaalsContact O-CA 3.28Å; R272-Y278 WeakPolarHBondContact O-CA 3.36Å
279	Y	74.6	Confident	72.2	Confident	104 Å²	104	64.9 Å²	64.9	41%	0.408	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.8	152.4	69	-80.7	0	0	0	110.3	R272 T274 V281	R272-Y279 HydrophobicContact CB-CD1 4.25Å; R272-Y279 HydrophobicContact CB-CE1 3.74Å; R272-Y279 HydrophobicContact CB-CE2 4.26Å; R272-Y279 VanDerWaalsContact CD-OH 3.27Å; R272-Y279 WeakPolarHBondContact CD-OH 3.32Å; R272-Y279 PolarHBondContact N-O 2.96Å; R272-Y279 PolarHBondContact O-N 2.95Å; T274-Y279 HydrophobicContact CG2-CD1 3.57Å; T274-Y279 HydrophobicContact CG2-CE1 3.59Å; Y279-V281 HydrophobicContact CE2-CG2 4.07Å
280	C	79	Confident	72.1	Confident	8 Å²	8	65.2 Å²	65.2	5%	0.054	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131	175.6	-50.2	0	0	0	0	109.4	C265 C282 I289 C291	C265-C280 WeakPolarHBondContact CA-SG 3.23Å; C265-C280 HydrophobicContact CB-CB 3.77Å; C265-C280 WeakPolarHBondContact CB-SG 3Å; C265-C280 VanDerWaalsContact SG-CA 3.59Å; C265-C280 WeakPolarHBondContact SG-CB 3.36Å; C265-C280 CovalentContact SG-SG 2.03Å; C265-C280 PolarHBondContact SG-SG 2.91Å; C280-C282 PolarHBondContact O-N 3.19Å; C280-I289 PolarHBondContact SG-O 3.39Å; C280-C291 WeakPolarHBondContact CB-SG 2.8Å
281	V	78.9	Confident	71.8	Confident	47 Å²	47	60.7 Å²	60.7	29%	0.285	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	104.4	169.9	-176.8	0	0	0	0	107.6	T269 E270 R272 Y279	T269-V281 WeakPolarHBondContact CB-O 3.35Å; E270-V281 HydrophobicContact CB-CB 4.09Å; E270-V281 HydrophobicContact CB-CG2 4.29Å; E270-V281 WeakPolarHBondContact O-CB 3.44Å; E270-V281 WeakPolarHBondContact O-CG2 3.28Å; E270-V281 PolarHBondContact O-N 2.03Å; R272-V281 HydrophobicContact CG-CG2 3.87Å; Y279-V281 HydrophobicContact CE2-CG2 4.07Å
282	C	76.3	Confident	71.4	Confident	35 Å²	35	64 Å²	64	24%	0.236	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-75.3	151.7	179.9	-50.9	0	0	0	0	111.5	C280 R286 C291	C280-C282 PolarHBondContact O-N 3.19Å; C282-R286 HydrophobicContact CB-CB 3.86Å; C282-R286 VanDerWaalsContact CB-O 3.3Å; C282-R286 WeakPolarHBondContact CB-O 3.34Å; C282-C291 WeakPolarHBondContact CA-SG 3.4Å; C282-C291 HydrophobicContact CB-CB 3.76Å; C282-C291 WeakPolarHBondContact CB-SG 3.11Å; C282-C291 PolarHBondContact N-SG 2.83Å; C282-C291 WeakPolarHBondContact SG-CA 3.01Å; C282-C291 WeakPolarHBondContact SG-CB 3.44Å; C282-C291 CovalentContact SG-SG 2.04Å; C282-C291 PolarHBondContact SG-SG 2.91Å
283	A	71.2	Confident	71	Confident	70 Å²	70	64.2 Å²	64.2	58%	0.579	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-70.4	159.5	164.1	0	0	0	0	0	110.1	R286	A283-R286 WeakPolarHBondContact O-CB 3.12Å; A283-R286 PolarHBondContact O-N 3.08Å; A283-R286 VanDerWaalsContact O-N 3.14Å
284	D	72.8	Confident	71	Confident	163 Å²	163	63.8 Å²	63.8	87%	0.872	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	140.1	176.7	-55.9	-48.9	0	0	0	111.2
285	G	70.3	Confident	71.4	Confident	9 Å²	9	62.8 Å²	62.8	9%	0.093	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	4	-173.4	0	0	0	0	0	115.3	V295	G285-V295 PolarHBondContact O-N 3.33Å; G285-V295 VanDerWaalsContact O-N 3.13Å
286	R	79.2	Confident	72.2	Confident	65 Å²	65	59 Å²	59	25%	0.245	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145	179.5	-67.2	-63.2	-176.7	-179.2	-6	114.4	C282 A283 C291 E293 D294 N315	C282-R286 HydrophobicContact CB-CB 3.86Å; C282-R286 VanDerWaalsContact CB-O 3.3Å; C282-R286 WeakPolarHBondContact CB-O 3.34Å; A283-R286 WeakPolarHBondContact O-CB 3.12Å; A283-R286 PolarHBondContact O-N 3.08Å; A283-R286 VanDerWaalsContact O-N 3.14Å; R286-C291 HydrophobicContact CB-CB 4.5Å; R286-E293 VanDerWaalsContact CD-O 3.23Å; R286-E293 WeakPolarHBondContact CD-O 3.22Å; R286-D294 IonicContact NH1-OD1 3.06Å; R286-N315 PolarHBondContact NH1-OD1 2.88Å; R286-N315 VanDerWaalsContact NH2-CG 3.33Å; R286-N315 PolarHBondContact NH2-O 3.37Å; R286-N315 PolarHBondContact NH2-OD1 3.3Å
287	T	71.3	Confident	73.3	Confident	66 Å²	66	55.1 Å²	55.1	41%	0.405	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-172.7	-179.2	-167.2	0	0	0	0	111.8	C291 T292 E293 V295	T287-C291 CarbonylContact O-C 3.52Å; T287-C291 VanDerWaalsContact O-CA 3.24Å; T287-C291 WeakPolarHBondContact O-CA 3.47Å; T287-T292 PolarHBondContact O-N 2.71Å; T287-E293 HydrophobicContact CG2-CB 3.82Å; T287-E293 PolarHBondContact N-O 2.85Å; T287-E293 WeakPolarHBondContact O-CB 3.13Å; T287-E293 PolarHBondContact O-N 3.2Å; T287-E293 VanDerWaalsContact O-N 3.09Å; T287-V295 HydrophobicContact CG2-CG2 3.72Å
288	G	67.6	Low	74	Confident	20 Å²	20	55 Å²	55	21%	0.206	31%	0.306	C	S	.	.	S	Bend	trans	79	160.7	-174.8	0	0	0	0	0	112.6	N290 C291 E293	G288-N290 PolarHBondContact O-N 3.02Å; G288-C291 PolarHBondContact O-N 3.48Å; G288-E293 WeakPolarHBondContact CA-OE2 3.21Å
289	I	64.7	Low	74.1	Confident	121 Å²	121	62.2 Å²	62.2	62%	0.621	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.5	-170.3	-61.5	170.1	0	0	0	112.5	C280	C280-I289 PolarHBondContact SG-O 3.39Å
290	N	70.3	Confident	73.9	Confident	45 Å²	45	64 Å²	64	24%	0.241	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	16.2	-179.9	-56.6	-25.1	0	0	0	113.5	N264 P266 G288 T292	N264-N290 WeakPolarHBondContact CB-OD1 3.24Å; P266-N290 WeakPolarHBondContact CD-O 3.43Å; P266-N290 WeakPolarHBondContact CG-O 3.48Å; G288-N290 PolarHBondContact O-N 3.02Å; N290-T292 HydrophobicContact CB-CG2 4.24Å; N290-T292 PolarHBondContact O-N 3.38Å
291	C	74.2	Confident	73.6	Confident	11 Å²	11	65.6 Å²	65.6	7%	0.074	37%	0.37	C	S	.	.	S	Bend	trans	54.7	20.4	-175.8	-55	0	0	0	0	115.7	P266 T269 C280 C282 R286 T287 G288	P266-C291 HydrophobicContact CG-CB 4.33Å; T269-C291 HydrophobicContact CG2-CB 4.45Å; C280-C291 WeakPolarHBondContact CB-SG 2.8Å; C282-C291 WeakPolarHBondContact CA-SG 3.4Å; C282-C291 HydrophobicContact CB-CB 3.76Å; C282-C291 WeakPolarHBondContact CB-SG 3.11Å; C282-C291 PolarHBondContact N-SG 2.83Å; C282-C291 WeakPolarHBondContact SG-CA 3.01Å; C282-C291 WeakPolarHBondContact SG-CB 3.44Å; C282-C291 CovalentContact SG-SG 2.04Å; C282-C291 PolarHBondContact SG-SG 2.91Å; R286-C291 HydrophobicContact CB-CB 4.5Å; T287-C291 CarbonylContact O-C 3.52Å; T287-C291 VanDerWaalsContact O-CA 3.24Å; T287-C291 WeakPolarHBondContact O-CA 3.47Å; G288-C291 PolarHBondContact O-N 3.48Å
292	T	74.7	Confident	73.3	Confident	96 Å²	96	67.7 Å²	67.7	59%	0.589	38%	0.383	S	S	*	.			trans	-88.9	-17.2	179.8	47.2	0	0	0	0	113.1	T287 N290	T287-T292 PolarHBondContact O-N 2.71Å; N290-T292 HydrophobicContact CB-CG2 4.24Å; N290-T292 PolarHBondContact O-N 3.38Å
293	E	70.7	Confident	73.3	Confident	114 Å²	114	70.3 Å²	70.3	53%	0.533	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	150.2	179.3	-67.5	164.1	-164.1	0	0	109.8	R286 T287 G288	R286-E293 VanDerWaalsContact CD-O 3.23Å; R286-E293 WeakPolarHBondContact CD-O 3.22Å; T287-E293 HydrophobicContact CG2-CB 3.82Å; T287-E293 PolarHBondContact N-O 2.85Å; T287-E293 WeakPolarHBondContact O-CB 3.13Å; T287-E293 PolarHBondContact O-N 3.2Å; T287-E293 VanDerWaalsContact O-N 3.09Å; G288-E293 WeakPolarHBondContact CA-OE2 3.21Å
294	D	77.6	Confident	73.6	Confident	51 Å²	51	73.2 Å²	73.2	27%	0.273	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133	-176.9	-165	36.6	0	0	0	108.9	R286 D296 N313 N315 G316	R286-D294 IonicContact NH1-OD1 3.06Å; D294-D296 PolarHBondContact O-N 3.46Å; D294-N313 PolarHBondContact OD2-ND2 3.27Å; D294-N313 PolarHBondContact OD2-OD1 3.35Å; D294-N315 WeakPolarHBondContact OD1-CA 3.46Å; D294-G316 WeakPolarHBondContact OD1-CA 3.43Å; D294-G316 PolarHBondContact OD1-N 3.4Å
295	V	74.5	Confident	73.9	Confident	24 Å²	24	66.3 Å²	66.3	15%	0.145	35%	0.354	C	S	.	.			trans	-86.9	108.6	170.9	-179.6	0	0	0	0	107.3	G285 T287 E297	G285-V295 PolarHBondContact O-N 3.33Å; G285-V295 VanDerWaalsContact O-N 3.13Å; T287-V295 HydrophobicContact CG2-CG2 3.72Å; V295-E297 VanDerWaalsContact C-N 3.27Å; V295-E297 HydrophobicContact CG1-CG 4.12Å; V295-E297 VanDerWaalsContact O-CD 3.32Å; V295-E297 PolarHBondContact O-N 2.72Å
296	D	74.1	Confident	74.2	Confident	55 Å²	55	67 Å²	67	29%	0.294	36%	0.358	S	S	.	.			trans	-73.2	87.3	171	-164.1	-55.3	0	0	0	109.3	D294 C298 E299 E300 N313	D294-D296 PolarHBondContact O-N 3.46Å; D296-C298 PolarHBondContact O-N 3.47Å; D296-C298 VanDerWaalsContact O-N 3.11Å; D296-C298 WeakPolarHBondContact OD1-CA 3.05Å; D296-C298 VanDerWaalsContact OD1-CB 3.23Å; D296-C298 WeakPolarHBondContact OD1-CB 3.38Å; D296-C298 PolarHBondContact OD1-N 2.97Å; D296-C298 VanDerWaalsContact OD1-N 3.17Å; D296-E299 HydrophobicContact CB-CB 4.13Å; D296-E299 HydrophobicContact CB-CG 4.5Å; D296-E299 PolarHBondContact O-N 2.88Å; D296-E299 PolarHBondContact OD1-N 2.62Å; D296-E300 PolarHBondContact O-N 2.03Å; D296-N313 WeakPolarHBondContact CA-ND2 2.84Å; D296-N313 HydrophobicContact CB-CB 4.33Å; D296-N313 WeakPolarHBondContact CB-ND2 2.97Å; D296-N313 VanDerWaalsContact CG-CB 3.45Å; D296-N313 WeakPolarHBondContact OD2-CB 3.01Å; D296-N313 PolarHBondContact OD2-ND2 3.35Å
297	E	79.2	Confident	73.9	Confident	14 Å²	14	71.2 Å²	71.2	7%	0.065	38%	0.383	C	S	.	.	H	α-helix	trans	-61.7	-23.4	-177.9	-57.5	105.7	149.4	0	0	111.1	V295 G301 T302 Y303 Y318	V295-E297 VanDerWaalsContact C-N 3.27Å; V295-E297 HydrophobicContact CG1-CG 4.12Å; V295-E297 VanDerWaalsContact O-CD 3.32Å; V295-E297 PolarHBondContact O-N 2.72Å; E297-G301 VanDerWaalsContact O-CA 3.31Å; E297-G301 WeakPolarHBondContact O-CA 3.41Å; E297-G301 PolarHBondContact O-N 2.89Å; E297-T302 WeakPolarHBondContact CA-OG1 3.04Å; E297-T302 WeakPolarHBondContact CB-OG1 3.41Å; E297-T302 PolarHBondContact O-N 3.24Å; E297-Y303 WeakPolarHBondContact O-CD1 3.47Å; E297-Y318 HydrophobicContact CB-CD1 3.79Å; E297-Y318 HydrophobicContact CB-CE1 4.49Å; E297-Y318 HydrophobicContact CB-CG 4.43Å; E297-Y318 HydrophobicContact CG-CD1 3.94Å; E297-Y318 WeakPolarHBondContact OE2-CB 3.34Å; E297-Y318 WeakPolarHBondContact OE2-CD1 3.49Å; E297-Y318 PolarHBondContact OE2-N 3.18Å
298	C	78.8	Confident	73.9	Confident	24 Å²	24	71.4 Å²	71.4	16%	0.162	38%	0.38	C	S	.	.	H	α-helix	trans	-68.9	-43.3	174.5	-46.9	0	0	0	0	112	K108 D296 C311 K312 N313	K108-C298 PolarHBondContact NZ-O 2.81Å; D296-C298 PolarHBondContact O-N 3.47Å; D296-C298 VanDerWaalsContact O-N 3.11Å; D296-C298 WeakPolarHBondContact OD1-CA 3.05Å; D296-C298 VanDerWaalsContact OD1-CB 3.23Å; D296-C298 WeakPolarHBondContact OD1-CB 3.38Å; D296-C298 PolarHBondContact OD1-N 2.97Å; D296-C298 VanDerWaalsContact OD1-N 3.17Å; C298-C311 VanDerWaalsContact CA-SG 3.53Å; C298-C311 HydrophobicContact CB-CB 3.76Å; C298-C311 WeakPolarHBondContact CB-SG 2.81Å; C298-C311 WeakPolarHBondContact SG-CB 2.84Å; C298-C311 CovalentContact SG-SG 2.04Å; C298-C311 PolarHBondContact SG-SG 3.13Å; C298-K312 VanDerWaalsContact SG-C 3.58Å; C298-N313 PolarHBondContact SG-N 3.37Å
299	E	76.5	Confident	74.4	Confident	164 Å²	164	71 Å²	71	77%	0.766	37%	0.374	S	S	*	.	H	α-helix	trans	-72.6	-32.8	173.3	-77.8	-126	125.8	0	0	113.2	K108 D296	K108-E299 PolarHBondContact NZ-O 2.71Å; D296-E299 HydrophobicContact CB-CB 4.13Å; D296-E299 HydrophobicContact CB-CG 4.5Å; D296-E299 PolarHBondContact O-N 2.88Å; D296-E299 PolarHBondContact OD1-N 2.62Å
300	E	71	Confident	75.2	Confident	143 Å²	143	68.7 Å²	68.7	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-78.6	-45.5	174.3	-65.5	-150.1	149.8	0	0	112.4	K108 D296	K108-E300 PolarHBondContact NZ-O 2.84Å; D296-E300 PolarHBondContact O-N 2.03Å
301	G	72.3	Confident	75.8	Confident	41 Å²	41	67.4 Å²	67.4	42%	0.423	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.7	25.6	176.9	0	0	0	0	0	114	E297	E297-G301 VanDerWaalsContact O-CA 3.31Å; E297-G301 WeakPolarHBondContact O-CA 3.41Å; E297-G301 PolarHBondContact O-N 2.89Å
302	T	71.4	Confident	76.2	Confident	90 Å²	90	71.7 Å²	71.7	55%	0.552	38%	0.377	S	S	*	.			trans	-95.9	9.2	-175.8	41.6	0	0	0	0	113.2	E297	E297-T302 WeakPolarHBondContact CA-OG1 3.04Å; E297-T302 WeakPolarHBondContact CB-OG1 3.41Å; E297-T302 PolarHBondContact O-N 3.24Å
303	Y	76.4	Confident	76.4	Confident	91 Å²	91	69.1 Å²	69.1	36%	0.357	36%	0.36	S	S	.	.			trans	-86	143.9	-177.2	64.8	-92.7	0	0	0	114.1	E297 C305 C311	E297-Y303 WeakPolarHBondContact O-CD1 3.47Å; Y303-C305 HydrophobicContact CD2-CB 3.54Å; Y303-C305 HydrophobicContact CE2-CB 3.93Å; Y303-C305 PolarHBondContact O-N 2.94Å; Y303-C311 HydrophobicContact CD1-CB 4.11Å; Y303-C311 HydrophobicContact CD2-CB 3.89Å; Y303-C311 HydrophobicContact CE1-CB 4.1Å; Y303-C311 HydrophobicContact CE2-CB 3.89Å; Y303-C311 HydrophobicContact CG-CB 3.99Å; Y303-C311 VanDerWaalsContact CG-SG 3.5Å
304	E	79.2	Confident	76.9	Confident	131 Å²	131	67 Å²	67	61%	0.612	36%	0.355	S	S	*	.			trans	-94.2	21.5	-179.6	-55.3	-177.6	126.6	0	0	113.6	Y318 Y330	E304-Y318 WeakPolarHBondContact CB-OH 3.33Å; E304-Y318 PolarHBondContact N-OH 2.81Å; E304-Y330 HydrophobicContact CB-CD1 3.89Å; E304-Y330 HydrophobicContact CB-CE1 3.71Å; E304-Y330 WeakPolarHBondContact O-CD1 3.45Å; E304-Y330 WeakPolarHBondContact OE2-CE1 3.49Å; E304-Y330 PolarHBondContact OE2-OH 2.62Å
305	C	78.4	Confident	76.9	Confident	17 Å²	17	70.5 Å²	70.5	12%	0.115	37%	0.374	C	S	.	.			trans	-71.4	138	179.2	-55.9	0	0	0	0	112.3	Y303 S309 C320	Y303-C305 HydrophobicContact CD2-CB 3.54Å; Y303-C305 HydrophobicContact CE2-CB 3.93Å; Y303-C305 PolarHBondContact O-N 2.94Å; C305-S309 WeakPolarHBondContact CB-OG 2.93Å; C305-C320 WeakPolarHBondContact CA-SG 3.28Å; C305-C320 HydrophobicContact CB-CB 3.8Å; C305-C320 WeakPolarHBondContact CB-SG 3.42Å; C305-C320 VanDerWaalsContact SG-CA 3.53Å; C305-C320 WeakPolarHBondContact SG-CB 3.27Å; C305-C320 CovalentContact SG-SG 2.04Å; C305-C320 PolarHBondContact SG-SG 3.15Å
306	S	75.9	Confident	76.9	Confident	23 Å²	23	70.4 Å²	70.4	16%	0.161	38%	0.377	C	S	.	.			trans	-54.9	150.6	171	172.5	0	0	0	0	112.6	H308 S309 Y330 C331	S306-H308 PolarHBondContact O-N 2.8Å; S306-H308 PolarHBondContact OG-N 3.35Å; S306-H308 VanDerWaalsContact OG-N 3.15Å; S306-S309 PolarHBondContact N-OG 3.15Å; S306-S309 PolarHBondContact O-N 3.33Å; S306-S309 PolarHBondContact O-OG 3.43Å; S306-Y330 WeakPolarHBondContact CB-O 3.49Å; S306-Y330 PolarHBondContact N-O 3.11Å; S306-C331 WeakPolarHBondContact CB-O 3.36Å; S306-C331 PolarHBondContact OG-O 2.88Å
307	I	73.9	Confident	77.1	Confident	154 Å²	154	70.4 Å²	70.4	79%	0.79	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-21	169.8	66.1	174.4	0	0	0	112.7	S309	I307-S309 VanDerWaalsContact C-N 3.26Å; I307-S309 PolarHBondContact O-N 2.62Å
308	H	70.9	Confident	77.3	Confident	70 Å²	70	71.8 Å²	71.8	32%	0.324	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	28.5	175.1	-55.9	-71.2	0	0	0	113	S306 H323 H326	S306-H308 PolarHBondContact O-N 2.8Å; S306-H308 PolarHBondContact OG-N 3.35Å; S306-H308 VanDerWaalsContact OG-N 3.15Å; H308-H323 WeakPolarHBondContact O-CB 3.19Å; H308-H323 PolarHBondContact O-N 3.24Å; H308-H323 PolarHBondContact O-ND1 2.69Å; H308-H323 VanDerWaalsContact O-ND1 3.1Å; H308-H326 HydrophobicContact CB-CB 4.21Å; H308-H326 VanDerWaalsContact CB-CD2 3.44Å; H308-H326 WeakPolarHBondContact CB-CD2 3.47Å; H308-H326 VanDerWaalsContact CB-CG 3.49Å; H308-H326 AromaticContact CD2-CE1 3.38Å; H308-H326 PolarHBondContact CD2-CE1 3.01Å; H308-H326 AromaticContact CD2-ND1 3.96Å; H308-H326 AromaticContact CD2-NE2 3.79Å; H308-H326 AromaticContact CE1-NE2 3.97Å; H308-H326 AromaticContact CG-CD2 3.81Å; H308-H326 AromaticContact CG-CE1 3.33Å; H308-H326 AromaticContact CG-ND1 3.83Å; H308-H326 AromaticContact CG-NE2 3.29Å; H308-H326 VanDerWaalsContact CG-NE2 3.29Å; H308-H326 AromaticContact ND1-CE1 3.84Å; H308-H326 AromaticContact ND1-NE2 3.43Å; H308-H326 PolarHBondContact ND1-NE2 3.43Å; H308-H326 AromaticContact NE2-CE1 3.93Å
309	S	77.1	Confident	77.5	Confident	13 Å²	13	75.8 Å²	75.8	9%	0.091	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.9	175.4	49.3	0	0	0	0	114.6	C305 S306 I307 E321 H323 C331	C305-S309 WeakPolarHBondContact CB-OG 2.93Å; S306-S309 PolarHBondContact N-OG 3.15Å; S306-S309 PolarHBondContact O-N 3.33Å; S306-S309 PolarHBondContact O-OG 3.43Å; I307-S309 VanDerWaalsContact C-N 3.26Å; I307-S309 PolarHBondContact O-N 2.62Å; S309-E321 CarbonylContact C-O 3.59Å; S309-E321 VanDerWaalsContact CA-O 3.3Å; S309-E321 WeakPolarHBondContact CA-O 3.25Å; S309-E321 VanDerWaalsContact CB-O 3.28Å; S309-E321 WeakPolarHBondContact CB-O 3.49Å; S309-H323 VanDerWaalsContact CA-ND1 3.28Å; S309-H323 WeakPolarHBondContact CA-ND1 3.45Å; S309-H323 PolarHBondContact N-ND1 2.95Å; S309-H323 VanDerWaalsContact N-ND1 3.16Å; S309-C331 WeakPolarHBondContact CB-SG 2.85Å; S309-C331 WeakPolarHBondContact OG-CB 3.2Å
310	T	82.6	Confident	77.8	Confident	72 Å²	72	68.6 Å²	68.6	44%	0.442	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.8	172.3	-59.7	0	0	0	0	108.8	K312 E321	T310-K312 PolarHBondContact O-N 3.27Å; T310-E321 PolarHBondContact N-O 3.43Å; T310-E321 PolarHBondContact O-N 3.33Å
311	C	82.1	Confident	78.1	Confident	18 Å²	18	65 Å²	65	12%	0.122	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.1	168.9	-174.2	0	0	0	0	109.4	C298 Y303	C298-C311 VanDerWaalsContact CA-SG 3.53Å; C298-C311 HydrophobicContact CB-CB 3.76Å; C298-C311 WeakPolarHBondContact CB-SG 2.81Å; C298-C311 WeakPolarHBondContact SG-CB 2.84Å; C298-C311 CovalentContact SG-SG 2.04Å; C298-C311 PolarHBondContact SG-SG 3.13Å; Y303-C311 HydrophobicContact CD1-CB 4.11Å; Y303-C311 HydrophobicContact CD2-CB 3.89Å; Y303-C311 HydrophobicContact CE1-CB 4.1Å; Y303-C311 HydrophobicContact CE2-CB 3.89Å; Y303-C311 HydrophobicContact CG-CB 3.99Å; Y303-C311 VanDerWaalsContact CG-SG 3.5Å
312	K	82.2	Confident	78.3	Confident	101 Å²	101	65.2 Å²	65.2	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.4	164.5	-80.3	-171.6	177.9	166	0	109	C298 T310 Y318 K319 E321	C298-K312 VanDerWaalsContact SG-C 3.58Å; T310-K312 PolarHBondContact O-N 3.27Å; K312-Y318 CarbonylContact O-C 3.4Å; K312-Y318 WeakPolarHBondContact O-CA 3.01Å; K312-K319 PolarHBondContact N-O 2.81Å; K312-K319 PolarHBondContact O-N 3.43Å; K312-E321 HydrophobicContact CD-CG 4.25Å; K312-E321 WeakPolarHBondContact CE-OE2 3.15Å; K312-E321 IonicContact NZ-OE1 3.22Å; K312-E321 PolarHBondContact NZ-OE1 2.87Å; K312-E321 VanDerWaalsContact NZ-OE1 3.16Å; K312-E321 IonicContact NZ-OE2 3.59Å; K312-E321 PolarHBondContact NZ-OE2 3.27Å
313	N	78.9	Confident	78.2	Confident	42 Å²	42	65.3 Å²	65.3	23%	0.225	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	146.3	170	-178.8	27.8	0	0	0	110.7	D294 D296 C298	D294-N313 PolarHBondContact OD2-ND2 3.27Å; D294-N313 PolarHBondContact OD2-OD1 3.35Å; D296-N313 WeakPolarHBondContact CA-ND2 2.84Å; D296-N313 HydrophobicContact CB-CB 4.33Å; D296-N313 WeakPolarHBondContact CB-ND2 2.97Å; D296-N313 VanDerWaalsContact CG-CB 3.45Å; D296-N313 WeakPolarHBondContact OD2-CB 3.01Å; D296-N313 PolarHBondContact OD2-ND2 3.35Å; C298-N313 PolarHBondContact SG-N 3.37Å
314	T	82.1	Confident	77.7	Confident	69 Å²	69	65.6 Å²	65.6	42%	0.423	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.1	172	76.7	0	0	0	0	109	G316 S317 K319	T314-G316 PolarHBondContact O-N 3.26Å; T314-S317 CarbonylContact C-O 3.55Å; T314-S317 WeakPolarHBondContact CA-O 3.32Å; T314-S317 WeakPolarHBondContact CB-O 3.45Å; T314-S317 PolarHBondContact N-O 2.74Å; T314-S317 CarbonylContact O-C 3.53Å; T314-S317 PolarHBondContact O-N 3.1Å; T314-S317 PolarHBondContact OG1-O 3.13Å; T314-K319 HydrophobicContact CG2-CB 4.18Å
315	N	78.6	Confident	76.9	Confident	125 Å²	125	59.3 Å²	59.3	67%	0.668	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	89.2	-168.3	-169.9	16	0	0	0	113.5	R286 D294	R286-N315 PolarHBondContact NH1-OD1 2.88Å; R286-N315 VanDerWaalsContact NH2-CG 3.33Å; R286-N315 PolarHBondContact NH2-O 3.37Å; R286-N315 PolarHBondContact NH2-OD1 3.3Å; D294-N315 WeakPolarHBondContact OD1-CA 3.46Å
316	G	73.1	Confident	76.4	Confident	22 Å²	22	59 Å²	59	23%	0.227	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	112.3	2.3	-177.4	0	0	0	0	0	116.4	D294 T314	D294-G316 WeakPolarHBondContact OD1-CA 3.43Å; D294-G316 PolarHBondContact OD1-N 3.4Å; T314-G316 PolarHBondContact O-N 3.26Å
317	S	79.4	Confident	76.3	Confident	55 Å²	55	60.4 Å²	60.4	39%	0.385	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.3	161.4	173.2	-156.5	0	0	0	0	112.7	T314	T314-S317 CarbonylContact C-O 3.55Å; T314-S317 WeakPolarHBondContact CA-O 3.32Å; T314-S317 WeakPolarHBondContact CB-O 3.45Å; T314-S317 PolarHBondContact N-O 2.74Å; T314-S317 CarbonylContact O-C 3.53Å; T314-S317 PolarHBondContact O-N 3.1Å; T314-S317 PolarHBondContact OG1-O 3.13Å
318	Y	82.5	Confident	76.1	Confident	43 Å²	43	54.2 Å²	54.2	17%	0.169	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	157.7	171.4	67.7	-82.1	0	0	0	115.4	E297 E304 K312	E297-Y318 HydrophobicContact CB-CD1 3.79Å; E297-Y318 HydrophobicContact CB-CE1 4.49Å; E297-Y318 HydrophobicContact CB-CG 4.43Å; E297-Y318 HydrophobicContact CG-CD1 3.94Å; E297-Y318 WeakPolarHBondContact OE2-CB 3.34Å; E297-Y318 WeakPolarHBondContact OE2-CD1 3.49Å; E297-Y318 PolarHBondContact OE2-N 3.18Å; E304-Y318 WeakPolarHBondContact CB-OH 3.33Å; E304-Y318 PolarHBondContact N-OH 2.81Å; K312-Y318 CarbonylContact O-C 3.4Å; K312-Y318 WeakPolarHBondContact O-CA 3.01Å
319	K	82.9	Confident	76.1	Confident	107 Å²	107	58.3 Å²	58.3	47%	0.465	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.1	170.9	179.8	-163.5	171.6	-158.3	0	109.8	K312 T314 E321	K312-K319 PolarHBondContact N-O 2.81Å; K312-K319 PolarHBondContact O-N 3.43Å; T314-K319 HydrophobicContact CG2-CB 4.18Å; K319-E321 HydrophobicContact CD-CG 4.32Å; K319-E321 IonicContact NZ-OE1 3.6Å; K319-E321 PolarHBondContact NZ-OE1 3.14Å
320	C	83.6	Confident	76.2	Confident	13 Å²	13	60.8 Å²	60.8	9%	0.088	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.7	169.7	-46.4	0	0	0	0	109.9	C305 K329	C305-C320 WeakPolarHBondContact CA-SG 3.28Å; C305-C320 HydrophobicContact CB-CB 3.8Å; C305-C320 WeakPolarHBondContact CB-SG 3.42Å; C305-C320 VanDerWaalsContact SG-CA 3.53Å; C305-C320 WeakPolarHBondContact SG-CB 3.27Å; C305-C320 CovalentContact SG-SG 2.04Å; C305-C320 PolarHBondContact SG-SG 3.15Å; C320-K329 WeakPolarHBondContact CB-O 3.42Å
321	E	76.5	Confident	75.7	Confident	67 Å²	67	57.4 Å²	57.4	31%	0.313	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.7	166.4	-72	-167.4	171.9	0	0	109.8	S309 T310 K312 K319	S309-E321 CarbonylContact C-O 3.59Å; S309-E321 VanDerWaalsContact CA-O 3.3Å; S309-E321 WeakPolarHBondContact CA-O 3.25Å; S309-E321 VanDerWaalsContact CB-O 3.28Å; S309-E321 WeakPolarHBondContact CB-O 3.49Å; T310-E321 PolarHBondContact N-O 3.43Å; T310-E321 PolarHBondContact O-N 3.33Å; K312-E321 HydrophobicContact CD-CG 4.25Å; K312-E321 WeakPolarHBondContact CE-OE2 3.15Å; K312-E321 IonicContact NZ-OE1 3.22Å; K312-E321 PolarHBondContact NZ-OE1 2.87Å; K312-E321 VanDerWaalsContact NZ-OE1 3.16Å; K312-E321 IonicContact NZ-OE2 3.59Å; K312-E321 PolarHBondContact NZ-OE2 3.27Å; K319-E321 HydrophobicContact CD-CG 4.32Å; K319-E321 IonicContact NZ-OE1 3.6Å; K319-E321 PolarHBondContact NZ-OE1 3.14Å
322	C	77.4	Confident	75.2	Confident	47 Å²	47	61.3 Å²	61.3	32%	0.318	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.6	-172.4	-47.1	0	0	0	0	111.3	H326 C331	C322-H326 HydrophobicContact CB-CB 4.13Å; C322-H326 WeakPolarHBondContact CB-O 3.04Å; C322-C331 WeakPolarHBondContact CA-SG 3.08Å; C322-C331 HydrophobicContact CB-CB 3.6Å; C322-C331 WeakPolarHBondContact CB-SG 3.29Å; C322-C331 PolarHBondContact N-SG 2.86Å; C322-C331 VanDerWaalsContact SG-CA 3.52Å; C322-C331 WeakPolarHBondContact SG-CB 3.24Å; C322-C331 CovalentContact SG-SG 2.03Å; C322-C331 PolarHBondContact SG-SG 2.95Å
323	H	69.3	Low	74.5	Confident	92 Å²	92	62 Å²	62	43%	0.426	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-66	153.2	168.6	-71.4	88.5	0	0	0	109.9	H308 S309 G325 H326	H308-H323 WeakPolarHBondContact O-CB 3.19Å; H308-H323 PolarHBondContact O-N 3.24Å; H308-H323 PolarHBondContact O-ND1 2.69Å; H308-H323 VanDerWaalsContact O-ND1 3.1Å; S309-H323 VanDerWaalsContact CA-ND1 3.28Å; S309-H323 WeakPolarHBondContact CA-ND1 3.45Å; S309-H323 PolarHBondContact N-ND1 2.95Å; S309-H323 VanDerWaalsContact N-ND1 3.16Å; H323-G325 PolarHBondContact O-N 3.13Å; H323-H326 PolarHBondContact O-N 2.04Å
324	S	64.9	Low	73.7	Confident	96 Å²	96	64.5 Å²	64.5	67%	0.671	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	113.4	173.2	-56.1	0	0	0	0	110.7	N355	S324-N355 PolarHBondContact O-ND2 2.83Å
325	G	62.6	Low	72.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	114.6	-7.8	-177.1	0	0	0	0	0	114.9	H323 L334 I335 Y337	H323-G325 PolarHBondContact O-N 3.13Å; G325-L334 CarbonylContact O-C 3.56Å; G325-L334 VanDerWaalsContact O-CA 3.28Å; G325-L334 WeakPolarHBondContact O-CA 3.18Å; G325-L334 WeakPolarHBondContact O-CD2 3.45Å; G325-I335 PolarHBondContact O-N 3.23Å; G325-Y337 WeakPolarHBondContact CA-OH 3.19Å; G325-Y337 PolarHBondContact N-OH 3.16Å
326	H	69	Low	72.2	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.046	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.1	-179.1	-65.5	-96	0	0	0	113.7	H308 C322 H323 C331 E333 L334 I335 N355	H308-H326 HydrophobicContact CB-CB 4.21Å; H308-H326 VanDerWaalsContact CB-CD2 3.44Å; H308-H326 WeakPolarHBondContact CB-CD2 3.47Å; H308-H326 VanDerWaalsContact CB-CG 3.49Å; H308-H326 AromaticContact CD2-CE1 3.38Å; H308-H326 PolarHBondContact CD2-CE1 3.01Å; H308-H326 AromaticContact CD2-ND1 3.96Å; H308-H326 AromaticContact CD2-NE2 3.79Å; H308-H326 AromaticContact CE1-NE2 3.97Å; H308-H326 AromaticContact CG-CD2 3.81Å; H308-H326 AromaticContact CG-CE1 3.33Å; H308-H326 AromaticContact CG-ND1 3.83Å; H308-H326 AromaticContact CG-NE2 3.29Å; H308-H326 VanDerWaalsContact CG-NE2 3.29Å; H308-H326 AromaticContact ND1-CE1 3.84Å; H308-H326 AromaticContact ND1-NE2 3.43Å; H308-H326 PolarHBondContact ND1-NE2 3.43Å; H308-H326 AromaticContact NE2-CE1 3.93Å; C322-H326 HydrophobicContact CB-CB 4.13Å; C322-H326 WeakPolarHBondContact CB-O 3.04Å; H323-H326 PolarHBondContact O-N 2.04Å; H326-C331 HydrophobicContact CB-CB 4.44Å; H326-E333 CarbonylContact C-O 3.49Å; H326-E333 WeakPolarHBondContact CA-O 3.09Å; H326-E333 WeakPolarHBondContact CB-O 3.44Å; H326-E333 PolarHBondContact ND1-O 2.86Å; H326-L334 VanDerWaalsContact CE1-CD2 3.4Å; H326-L334 WeakPolarHBondContact CE1-CD2 3.33Å; H326-I335 WeakPolarHBondContact O-CD1 2.99Å; H326-I335 WeakPolarHBondContact O-CG1 2.64Å; H326-N355 PolarHBondContact NE2-OD1 2.72Å
327	T	71.8	Confident	71.9	Confident	53 Å²	53	59.7 Å²	59.7	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	-179.8	-176.3	-166.4	0	0	0	0	112.3	C331 T332 E333 L334	T327-C331 CarbonylContact O-C 3.41Å; T327-C331 WeakPolarHBondContact O-CA 3.33Å; T327-T332 PolarHBondContact O-N 2.77Å; T327-E333 HydrophobicContact CG2-CB 3.66Å; T327-E333 PolarHBondContact N-O 2.85Å; T327-E333 WeakPolarHBondContact O-CB 3.5Å; T327-E333 PolarHBondContact O-N 2.63Å; T327-E333 VanDerWaalsContact O-N 3.13Å; T327-L334 WeakPolarHBondContact CG2-O 3.47Å
328	G	69.8	Low	71.5	Confident	23 Å²	23	58.1 Å²	58.1	24%	0.237	30%	0.303	C	S	.	.	S	Bend	trans	84.4	164.3	-174.5	0	0	0	0	0	113.3	Y330 C331	G328-Y330 PolarHBondContact O-N 3.31Å; G328-Y330 VanDerWaalsContact O-N 3.08Å; G328-C331 PolarHBondContact O-N 3.09Å
329	K	72.8	Confident	70.9	Confident	156 Å²	156	62.3 Å²	62.3	68%	0.678	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-37.6	-171.8	-175.5	-170.2	170.2	-154.5	0	113.7	C320	C320-K329 WeakPolarHBondContact CB-O 3.42Å
330	Y	79.2	Confident	70.1	Confident	66 Å²	66	61.8 Å²	61.8	26%	0.259	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	8.4	-177.8	-59.3	-76.9	0	0	0	113.2	E304 S306 G328 T332	E304-Y330 HydrophobicContact CB-CD1 3.89Å; E304-Y330 HydrophobicContact CB-CE1 3.71Å; E304-Y330 WeakPolarHBondContact O-CD1 3.45Å; E304-Y330 WeakPolarHBondContact OE2-CE1 3.49Å; E304-Y330 PolarHBondContact OE2-OH 2.62Å; S306-Y330 WeakPolarHBondContact CB-O 3.49Å; S306-Y330 PolarHBondContact N-O 3.11Å; G328-Y330 PolarHBondContact O-N 3.31Å; G328-Y330 VanDerWaalsContact O-N 3.08Å; Y330-T332 VanDerWaalsContact C-N 3.29Å; Y330-T332 PolarHBondContact O-N 3.42Å
331	C	72.1	Confident	69.5	Low	0 Å²	0	68 Å²	68	0%	0	35%	0.351	C	S	.	.	S	Bend	trans	59.3	36	178.1	-51.5	0	0	0	0	114.6	S306 S309 C322 H326 T327 G328	S306-C331 WeakPolarHBondContact CB-O 3.36Å; S306-C331 PolarHBondContact OG-O 2.88Å; S309-C331 WeakPolarHBondContact CB-SG 2.85Å; S309-C331 WeakPolarHBondContact OG-CB 3.2Å; C322-C331 WeakPolarHBondContact CA-SG 3.08Å; C322-C331 HydrophobicContact CB-CB 3.6Å; C322-C331 WeakPolarHBondContact CB-SG 3.29Å; C322-C331 PolarHBondContact N-SG 2.86Å; C322-C331 VanDerWaalsContact SG-CA 3.52Å; C322-C331 WeakPolarHBondContact SG-CB 3.24Å; C322-C331 CovalentContact SG-SG 2.03Å; C322-C331 PolarHBondContact SG-SG 2.95Å; H326-C331 HydrophobicContact CB-CB 4.44Å; T327-C331 CarbonylContact O-C 3.41Å; T327-C331 WeakPolarHBondContact O-CA 3.33Å; G328-C331 PolarHBondContact O-N 3.09Å
332	T	70.9	Confident	69.5	Low	101 Å²	101	69.5 Å²	69.5	62%	0.62	36%	0.364	S	S	*	.			trans	-93.5	-17.7	178	47.3	0	0	0	0	113.1	T327 Y330	T327-T332 PolarHBondContact O-N 2.77Å; Y330-T332 VanDerWaalsContact C-N 3.29Å; Y330-T332 PolarHBondContact O-N 3.42Å
333	E	67.6	Low	69.6	Low	114 Å²	114	68 Å²	68	53%	0.533	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	162.6	175.9	-61	157.2	-155.5	0	0	109.9	H326 T327	H326-E333 CarbonylContact C-O 3.49Å; H326-E333 WeakPolarHBondContact CA-O 3.09Å; H326-E333 WeakPolarHBondContact CB-O 3.44Å; H326-E333 PolarHBondContact ND1-O 2.86Å; T327-E333 HydrophobicContact CG2-CB 3.66Å; T327-E333 PolarHBondContact N-O 2.85Å; T327-E333 WeakPolarHBondContact O-CB 3.5Å; T327-E333 PolarHBondContact O-N 2.63Å; T327-E333 VanDerWaalsContact O-N 3.13Å
334	L	62.5	Low	70.4	Confident	96 Å²	96	64.6 Å²	64.6	50%	0.503	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.1	174.5	-72.4	165.3	0	0	0	110.7	G325 H326 T327 D336 Q354	G325-L334 CarbonylContact O-C 3.56Å; G325-L334 VanDerWaalsContact O-CA 3.28Å; G325-L334 WeakPolarHBondContact O-CA 3.18Å; G325-L334 WeakPolarHBondContact O-CD2 3.45Å; H326-L334 VanDerWaalsContact CE1-CD2 3.4Å; H326-L334 WeakPolarHBondContact CE1-CD2 3.33Å; T327-L334 WeakPolarHBondContact CG2-O 3.47Å; L334-D336 PolarHBondContact O-N 2.94Å; L334-Q354 HydrophobicContact CD2-CG 4.21Å
335	I	62.7	Low	71.3	Confident	32 Å²	32	67.3 Å²	67.3	16%	0.164	34%	0.336	C	S	.	.			trans	-73.5	114.6	171.1	-69.5	178.4	0	0	0	108.5	G325 H326 Y337 I340	G325-I335 PolarHBondContact O-N 3.23Å; H326-I335 WeakPolarHBondContact O-CD1 2.99Å; H326-I335 WeakPolarHBondContact O-CG1 2.64Å; I335-Y337 HydrophobicContact CB-CD2 4.24Å; I335-Y337 HydrophobicContact CB-CE2 3.92Å; I335-Y337 HydrophobicContact CG2-CD1 4.01Å; I335-Y337 HydrophobicContact CG2-CD2 3.73Å; I335-Y337 HydrophobicContact CG2-CE1 4.04Å; I335-Y337 HydrophobicContact CG2-CE2 3.73Å; I335-Y337 HydrophobicContact CG2-CG 3.86Å; I335-Y337 VanDerWaalsContact O-CD2 3.29Å; I335-Y337 WeakPolarHBondContact O-CD2 3Å; I335-Y337 PolarHBondContact O-N 3.46Å; I335-I340 HydrophobicContact CG2-CD1 4.18Å
336	D	65.1	Low	72.2	Confident	52 Å²	52	71 Å²	71	28%	0.278	36%	0.356	S	S	.	.			trans	-76.9	97.1	160.1	-169.5	-39.2	0	0	0	109.1	L334 C338 I339 I340	L334-D336 PolarHBondContact O-N 2.94Å; D336-C338 PolarHBondContact O-N 3.12Å; D336-C338 WeakPolarHBondContact OD1-CA 3.32Å; D336-C338 VanDerWaalsContact OD1-CB 3.23Å; D336-C338 WeakPolarHBondContact OD1-CB 3.38Å; D336-C338 PolarHBondContact OD1-N 2.72Å; D336-I339 HydrophobicContact CB-CB 4.3Å; D336-I339 HydrophobicContact CB-CD1 4.02Å; D336-I339 HydrophobicContact CB-CG1 4.23Å; D336-I339 PolarHBondContact O-N 2.98Å; D336-I339 PolarHBondContact OD1-N 3Å; D336-I339 WeakPolarHBondContact OD2-CD1 2.87Å; D336-I340 PolarHBondContact O-N 3.24Å
337	Y	67.2	Low	72.6	Confident	31 Å²	31	73.4 Å²	73.4	12%	0.122	38%	0.383	C	S	.	.	H	α-helix	trans	-64.5	-27	178.1	-73.1	-90.2	0	0	0	113.1	G325 I335 Y341 P343 Y357	G325-Y337 WeakPolarHBondContact CA-OH 3.19Å; G325-Y337 PolarHBondContact N-OH 3.16Å; I335-Y337 HydrophobicContact CB-CD2 4.24Å; I335-Y337 HydrophobicContact CB-CE2 3.92Å; I335-Y337 HydrophobicContact CG2-CD1 4.01Å; I335-Y337 HydrophobicContact CG2-CD2 3.73Å; I335-Y337 HydrophobicContact CG2-CE1 4.04Å; I335-Y337 HydrophobicContact CG2-CE2 3.73Å; I335-Y337 HydrophobicContact CG2-CG 3.86Å; I335-Y337 VanDerWaalsContact O-CD2 3.29Å; I335-Y337 WeakPolarHBondContact O-CD2 3Å; I335-Y337 PolarHBondContact O-N 3.46Å; Y337-Y341 AromaticContact CD1-CD2 3.81Å; Y337-Y341 HydrophobicContact CD1-CD2 3.81Å; Y337-Y341 HydrophobicContact CD1-CE2 4.04Å; Y337-Y341 HydrophobicContact CE1-CE2 4.33Å; Y337-Y341 PolarHBondContact O-N 2.87Å; Y337-Y341 VanDerWaalsContact O-N 3.08Å; Y337-P343 WeakPolarHBondContact O-CD 3.38Å; Y337-Y357 HydrophobicContact CD1-CD1 4.1Å; Y337-Y357 HydrophobicContact CD1-CE1 4.35Å; Y337-Y357 AromaticContact CG-CD1 3.88Å; Y337-Y357 HydrophobicContact CG-CD1 3.88Å
338	C	71.2	Confident	73.1	Confident	21 Å²	21	71.5 Å²	71.5	14%	0.142	37%	0.374	C	S	.	.	H	α-helix	trans	-69.9	-39.2	179.7	-63.2	0	0	0	0	111.3	D336 T342 C350	D336-C338 PolarHBondContact O-N 3.12Å; D336-C338 WeakPolarHBondContact OD1-CA 3.32Å; D336-C338 VanDerWaalsContact OD1-CB 3.23Å; D336-C338 WeakPolarHBondContact OD1-CB 3.38Å; D336-C338 PolarHBondContact OD1-N 2.72Å; C338-T342 PolarHBondContact O-N 2.62Å; C338-C350 WeakPolarHBondContact CA-SG 3.45Å; C338-C350 HydrophobicContact CB-CB 3.58Å; C338-C350 WeakPolarHBondContact CB-SG 3.16Å; C338-C350 WeakPolarHBondContact SG-CB 3.02Å; C338-C350 CovalentContact SG-SG 2.03Å; C338-C350 PolarHBondContact SG-SG 2.86Å
339	I	69.1	Low	73.9	Confident	131 Å²	131	76 Å²	76	67%	0.672	39%	0.387	S	S	*	.	H	α-helix	trans	-73.6	-44.9	176.4	-62.9	174.2	0	0	0	111.5	D336	D336-I339 HydrophobicContact CB-CB 4.3Å; D336-I339 HydrophobicContact CB-CD1 4.02Å; D336-I339 HydrophobicContact CB-CG1 4.23Å; D336-I339 PolarHBondContact O-N 2.98Å; D336-I339 PolarHBondContact OD1-N 3Å; D336-I339 WeakPolarHBondContact OD2-CD1 2.87Å
340	I	67.6	Low	74.5	Confident	96 Å²	96	70.4 Å²	70.4	49%	0.492	37%	0.367	S	S	.	.	H	α-helix	trans	-81.7	-35.1	-169	-68.8	167.8	0	0	0	113.2	I335 D336	I335-I340 HydrophobicContact CG2-CD1 4.18Å; D336-I340 PolarHBondContact O-N 3.24Å
341	Y	69.4	Low	74.7	Confident	144 Å²	144	70.5 Å²	70.5	57%	0.565	37%	0.37	S	S	*	.	H	α-helix	trans	-115	-14	-172.3	-66.3	-73.4	0	0	0	115.1	Y337 P343	Y337-Y341 AromaticContact CD1-CD2 3.81Å; Y337-Y341 HydrophobicContact CD1-CD2 3.81Å; Y337-Y341 HydrophobicContact CD1-CE2 4.04Å; Y337-Y341 HydrophobicContact CE1-CE2 4.33Å; Y337-Y341 PolarHBondContact O-N 2.87Å; Y337-Y341 VanDerWaalsContact O-N 3.08Å; Y341-P343 VanDerWaalsContact C-N 3.32Å
342	T	77.4	Confident	74.6	Confident	98 Å²	98	74 Å²	74	60%	0.601	39%	0.393	S	S	*	.			trans	41.9	54.3	-173	55.5	0	0	0	0	112.4	C338 C344	C338-T342 PolarHBondContact O-N 2.62Å; T342-C344 PolarHBondContact O-N 3.36Å
343	P	79.8	Confident	74.7	Confident	15 Å²	15	73.9 Å²	73.9	10%	0.097	39%	0.388	C	S	.	.			trans	-69.6	-32.3	-161.7	26.7	-34.5	0	0	0	113.2	Y337 Y341 R345 Y357	Y337-P343 WeakPolarHBondContact O-CD 3.38Å; Y341-P343 VanDerWaalsContact C-N 3.32Å; P343-R345 PolarHBondContact O-N 2.86Å; P343-Y357 HydrophobicContact CB-CD2 3.94Å; P343-Y357 HydrophobicContact CB-CE1 4.18Å; P343-Y357 HydrophobicContact CB-CE2 3.5Å; P343-Y357 VanDerWaalsContact CB-CE2 3.5Å; P343-Y357 HydrophobicContact CB-CG 4.46Å; P343-Y357 HydrophobicContact CG-CD1 4.05Å; P343-Y357 HydrophobicContact CG-CD2 3.45Å; P343-Y357 VanDerWaalsContact CG-CD2 3.45Å; P343-Y357 HydrophobicContact CG-CE1 4.17Å; P343-Y357 HydrophobicContact CG-CE2 3.59Å; P343-Y357 HydrophobicContact CG-CG 3.7Å
344	C	85.7	Confident	74.7	Confident	21 Å²	21	75.3 Å²	75.3	14%	0.142	39%	0.394	C	S	.	.			trans	-69.4	119	-178.3	-45.1	0	0	0	0	111.4	T342 G348 C350 C359 N369	T342-C344 PolarHBondContact O-N 3.36Å; C344-G348 WeakPolarHBondContact CB-O 2.99Å; C344-C350 VanDerWaalsContact SG-CA 3.53Å; C344-C350 WeakPolarHBondContact SG-CB 2.96Å; C344-C359 WeakPolarHBondContact CA-SG 3.5Å; C344-C359 HydrophobicContact CB-CB 3.82Å; C344-C359 WeakPolarHBondContact CB-SG 3.32Å; C344-C359 VanDerWaalsContact SG-CA 3.52Å; C344-C359 WeakPolarHBondContact SG-CB 3.39Å; C344-C359 CovalentContact SG-SG 2.03Å; C344-C359 PolarHBondContact SG-SG 3.48Å; C344-N369 CarbonylContact C-O 3.5Å; C344-N369 WeakPolarHBondContact CA-O 3.46Å
345	R	84	Confident	74.7	Confident	153 Å²	153	73.5 Å²	73.5	58%	0.577	39%	0.385	S	S	*	.			trans	-93.5	177.6	174.1	-60.3	-57.7	179.5	133.7	-5.3	110.6	P343 G347 G348 N369 T371	P343-R345 PolarHBondContact O-N 2.86Å; R345-G347 PolarHBondContact O-N 3.01Å; R345-G348 PolarHBondContact O-N 3Å; R345-N369 PolarHBondContact N-O 3.19Å; R345-T371 HydrophobicContact CB-CG2 3.79Å; R345-T371 HydrophobicContact CG-CG2 3.48Å; R345-T371 VanDerWaalsContact CG-CG2 3.48Å
346	N	80.4	Confident	75	Confident	78 Å²	78	74.7 Å²	74.7	42%	0.417	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	26.7	171.8	-55.2	-33.1	0	0	0	115.5	Y365 C370	N346-Y365 HydrophobicContact CB-CD1 4.28Å; N346-Y365 HydrophobicContact CB-CD2 3.86Å; N346-Y365 HydrophobicContact CB-CE1 4.02Å; N346-Y365 HydrophobicContact CB-CE2 3.53Å; N346-Y365 HydrophobicContact CB-CG 4.21Å; N346-Y365 WeakPolarHBondContact ND2-CD1 3.07Å; N346-Y365 WeakPolarHBondContact ND2-CE1 2.99Å; N346-C370 PolarHBondContact ND2-O 2.84Å
347	G	78.7	Confident	75.7	Confident	60 Å²	60	74.2 Å²	74.2	62%	0.619	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	5.7	179.5	0	0	0	0	0	115.7	R345	R345-G347 PolarHBondContact O-N 3.01Å
348	G	82.8	Confident	76.6	Confident	14 Å²	14	77.7 Å²	77.7	14%	0.144	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-60.8	142.6	175.1	0	0	0	0	0	113	C344 R345 E360	C344-G348 WeakPolarHBondContact CB-O 2.99Å; R345-G348 PolarHBondContact O-N 3Å; G348-E360 WeakPolarHBondContact CA-O 3.07Å
349	K	85.7	Confident	77.4	Confident	118 Å²	118	77 Å²	77	51%	0.513	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.3	-175.1	167.3	159.4	152.4	-95.7	0	110.9	H351 E360	K349-H351 PolarHBondContact O-CD2 3.26Å; K349-E360 HydrophobicContact CB-CB 4.25Å; K349-E360 PolarHBondContact N-O 3.23Å; K349-E360 IonicContact NZ-OE1 3.16Å; K349-E360 IonicContact NZ-OE2 2.69Å; K349-E360 PolarHBondContact NZ-OE2 2.92Å; K349-E360 WeakPolarHBondContact O-CB 3.09Å; K349-E360 PolarHBondContact O-N 3.07Å
350	C	84.9	Confident	78.2	Confident	38 Å²	38	75 Å²	75	26%	0.257	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.5	-175.4	-162.3	0	0	0	0	112.4	C338 C344	C338-C350 WeakPolarHBondContact CA-SG 3.45Å; C338-C350 HydrophobicContact CB-CB 3.58Å; C338-C350 WeakPolarHBondContact CB-SG 3.16Å; C338-C350 WeakPolarHBondContact SG-CB 3.02Å; C338-C350 CovalentContact SG-SG 2.03Å; C338-C350 PolarHBondContact SG-SG 2.86Å; C344-C350 VanDerWaalsContact SG-CA 3.53Å; C344-C350 WeakPolarHBondContact SG-CB 2.96Å
351	H	83.2	Confident	79.1	Confident	68 Å²	68	72.3 Å²	72.3	32%	0.315	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.6	169.6	-59.2	-96.4	0	0	0	109.6	K349 Y357 H358 E360	K349-H351 PolarHBondContact O-CD2 3.26Å; H351-Y357 WeakPolarHBondContact O-CA 3.28Å; H351-H358 PolarHBondContact N-O 2.78Å; H351-H358 PolarHBondContact O-N 3.24Å; H351-E360 IonicContact CD2-OE2 2.98Å; H351-E360 IonicContact CE1-OE2 3.93Å; H351-E360 PolarHBondContact CE1-OE2 3.38Å; H351-E360 IonicContact NE2-OE2 3.45Å; H351-E360 PolarHBondContact NE2-OE2 2.96Å
352	P	70.7	Confident	79.6	Confident	74 Å²	74	70.1 Å²	70.1	48%	0.481	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139.1	178.2	29.4	-33.7	0	0	0	111.1
353	L	72.6	Confident	79.7	Confident	97 Å²	97	68.9 Å²	68.9	51%	0.508	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	168.1	173.9	-66.3	178.8	0	0	0	110	N355 D356 H358	L353-N355 PolarHBondContact O-N 2.89Å; L353-N355 VanDerWaalsContact O-N 3.1Å; L353-D356 CarbonylContact C-O 3.38Å; L353-D356 WeakPolarHBondContact CA-O 3.31Å; L353-D356 HydrophobicContact CB-CB 4.18Å; L353-D356 PolarHBondContact N-O 3.09Å; L353-D356 PolarHBondContact O-N 2.81Å; L353-H358 HydrophobicContact CD1-CB 3.84Å; L353-H358 HydrophobicContact CG-CB 4.34Å
354	Q	67.5	Low	79.7	Confident	144 Å²	144	68.2 Å²	68.2	67%	0.673	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	113.6	174.6	-172.8	169.7	7.5	0	0	110	L334 D356	L334-Q354 HydrophobicContact CD2-CG 4.21Å; Q354-D356 PolarHBondContact O-N 3.48Å
355	N	62.7	Low	79.7	Confident	59 Å²	59	69 Å²	69	32%	0.316	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	18.8	-177.2	-54.2	25.9	0	0	0	114.1	S324 H326 L353	S324-N355 PolarHBondContact O-ND2 2.83Å; H326-N355 PolarHBondContact NE2-OD1 2.72Å; L353-N355 PolarHBondContact O-N 2.89Å; L353-N355 VanDerWaalsContact O-N 3.1Å
356	D	69.6	Low	79.7	Confident	56 Å²	56	65.7 Å²	65.7	30%	0.299	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-175.9	179.7	-149.6	-4.9	0	0	0	113.1	L353 Q354 K368	L353-D356 CarbonylContact C-O 3.38Å; L353-D356 WeakPolarHBondContact CA-O 3.31Å; L353-D356 HydrophobicContact CB-CB 4.18Å; L353-D356 PolarHBondContact N-O 3.09Å; L353-D356 PolarHBondContact O-N 2.81Å; Q354-D356 PolarHBondContact O-N 3.48Å; D356-K368 WeakPolarHBondContact OD1-CE 3.32Å; D356-K368 IonicContact OD1-NZ 2.87Å; D356-K368 PolarHBondContact OD1-NZ 3.13Å; D356-K368 IonicContact OD2-NZ 3.29Å; D356-K368 PolarHBondContact OD2-NZ 3.44Å
357	Y	80.1	Confident	79.8	Confident	42 Å²	42	64.9 Å²	64.9	17%	0.165	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.4	168.2	52.9	-83.6	0	0	0	110.3	Y337 P343 H351 K368 N369	Y337-Y357 HydrophobicContact CD1-CD1 4.1Å; Y337-Y357 HydrophobicContact CD1-CE1 4.35Å; Y337-Y357 AromaticContact CG-CD1 3.88Å; Y337-Y357 HydrophobicContact CG-CD1 3.88Å; P343-Y357 HydrophobicContact CB-CD2 3.94Å; P343-Y357 HydrophobicContact CB-CE1 4.18Å; P343-Y357 HydrophobicContact CB-CE2 3.5Å; P343-Y357 VanDerWaalsContact CB-CE2 3.5Å; P343-Y357 HydrophobicContact CB-CG 4.46Å; P343-Y357 HydrophobicContact CG-CD1 4.05Å; P343-Y357 HydrophobicContact CG-CD2 3.45Å; P343-Y357 VanDerWaalsContact CG-CD2 3.45Å; P343-Y357 HydrophobicContact CG-CE1 4.17Å; P343-Y357 HydrophobicContact CG-CE2 3.59Å; P343-Y357 HydrophobicContact CG-CG 3.7Å; H351-Y357 WeakPolarHBondContact O-CA 3.28Å; Y357-K368 HydrophobicContact CE2-CG 3.89Å; Y357-N369 WeakPolarHBondContact CE2-OD1 3.43Å; Y357-N369 PolarHBondContact OH-OD1 2.81Å
358	H	85.7	Confident	80	Confident	104 Å²	104	66.9 Å²	66.9	48%	0.481	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.3	167.2	171.8	56.4	0	0	0	109.4	H351 L353	H351-H358 PolarHBondContact N-O 2.78Å; H351-H358 PolarHBondContact O-N 3.24Å; L353-H358 HydrophobicContact CD1-CB 3.84Å; L353-H358 HydrophobicContact CG-CB 4.34Å
359	C	87	Confident	80.2	Confident	7 Å²	7	68.6 Å²	68.6	5%	0.047	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.6	167.7	-63.7	0	0	0	0	109.9	C344 C361 K368 C370	C344-C359 WeakPolarHBondContact CA-SG 3.5Å; C344-C359 HydrophobicContact CB-CB 3.82Å; C344-C359 WeakPolarHBondContact CB-SG 3.32Å; C344-C359 VanDerWaalsContact SG-CA 3.52Å; C344-C359 WeakPolarHBondContact SG-CB 3.39Å; C344-C359 CovalentContact SG-SG 2.03Å; C344-C359 PolarHBondContact SG-SG 3.48Å; C359-C361 PolarHBondContact O-N 3.09Å; C359-C361 VanDerWaalsContact O-N 3.13Å; C359-K368 WeakPolarHBondContact CB-O 3.34Å; C359-K368 PolarHBondContact SG-O 3.29Å; C359-C370 WeakPolarHBondContact CB-SG 3.24Å
360	E	86.5	Confident	80.2	Confident	88 Å²	88	63 Å²	63	41%	0.411	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	92.3	164.5	-179.6	-176.4	-172.3	0	0	107.2	G348 K349 H351	G348-E360 WeakPolarHBondContact CA-O 3.07Å; K349-E360 HydrophobicContact CB-CB 4.25Å; K349-E360 PolarHBondContact N-O 3.23Å; K349-E360 IonicContact NZ-OE1 3.16Å; K349-E360 IonicContact NZ-OE2 2.69Å; K349-E360 PolarHBondContact NZ-OE2 2.92Å; K349-E360 WeakPolarHBondContact O-CB 3.09Å; K349-E360 PolarHBondContact O-N 3.07Å; H351-E360 IonicContact CD2-OE2 2.98Å; H351-E360 IonicContact CE1-OE2 3.93Å; H351-E360 PolarHBondContact CE1-OE2 3.38Å; H351-E360 IonicContact NE2-OE2 3.45Å; H351-E360 PolarHBondContact NE2-OE2 2.96Å
361	C	85.9	Confident	80.2	Confident	40 Å²	40	64.5 Å²	64.5	27%	0.27	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70.6	145.3	-176.1	-60	0	0	0	0	112.3	C359 Y365 C370	C359-C361 PolarHBondContact O-N 3.09Å; C359-C361 VanDerWaalsContact O-N 3.13Å; C361-Y365 WeakPolarHBondContact CB-O 3.28Å; C361-C370 WeakPolarHBondContact CA-SG 3.43Å; C361-C370 HydrophobicContact CB-CB 3.79Å; C361-C370 WeakPolarHBondContact CB-SG 3.37Å; C361-C370 WeakPolarHBondContact SG-CA 3.3Å; C361-C370 WeakPolarHBondContact SG-CB 2.97Å; C361-C370 CovalentContact SG-SG 2.04Å; C361-C370 PolarHBondContact SG-SG 2.95Å
362	L	81	Confident	80.1	Confident	99 Å²	99	64.3 Å²	64.3	52%	0.518	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-66	146.4	162.6	-62.1	-179	0	0	0	108.8	Y365	L362-Y365 PolarHBondContact O-N 2.83Å
363	A	79.5	Confident	80.6	Confident	72 Å²	72	62.4 Å²	62.4	60%	0.595	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	141.2	178.7	0	0	0	0	0	110.6	N393	A363-N393 WeakPolarHBondContact CB-OD1 3.17Å; A363-N393 WeakPolarHBondContact O-CB 3Å
364	G	80.3	Confident	81.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.01	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-9.8	-171.4	0	0	0	0	0	115.2	N373 I374 N393	G364-N373 PolarHBondContact O-OD1 2.88Å; G364-I374 PolarHBondContact O-N 2.94Å; G364-N393 PolarHBondContact N-OD1 3.23Å
365	Y	85.2	Confident	81.7	Confident	38 Å²	38	57.2 Å²	57.2	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.1	176.5	-65.7	-74.2	0	0	0	112.8	N346 C361 L362 T372 N373 I392	N346-Y365 HydrophobicContact CB-CD1 4.28Å; N346-Y365 HydrophobicContact CB-CD2 3.86Å; N346-Y365 HydrophobicContact CB-CE1 4.02Å; N346-Y365 HydrophobicContact CB-CE2 3.53Å; N346-Y365 HydrophobicContact CB-CG 4.21Å; N346-Y365 WeakPolarHBondContact ND2-CD1 3.07Å; N346-Y365 WeakPolarHBondContact ND2-CE1 2.99Å; C361-Y365 WeakPolarHBondContact CB-O 3.28Å; L362-Y365 PolarHBondContact O-N 2.83Å; Y365-T372 WeakPolarHBondContact CA-O 3.4Å; Y365-N373 HydrophobicContact CE1-CB 4.48Å; Y365-I392 HydrophobicContact CD2-CG2 4.47Å; Y365-I392 HydrophobicContact CE2-CG2 3.58Å; Y365-I392 VanDerWaalsContact OH-CD1 3.28Å; Y365-I392 WeakPolarHBondContact OH-CD1 3.22Å; Y365-I392 WeakPolarHBondContact OH-CG1 3.06Å
366	E	83.4	Confident	82.8	Confident	83 Å²	83	56.4 Å²	56.4	39%	0.388	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-164.6	169.3	65.3	168.1	-169.7	0	0	111.6	C370 T372 I374	E366-C370 WeakPolarHBondContact O-CA 3.37Å; E366-T372 HydrophobicContact CG-CG2 4.1Å; E366-T372 PolarHBondContact N-O 2.81Å; E366-I374 HydrophobicContact CB-CG1 3.8Å; E366-I374 HydrophobicContact CG-CG1 3.93Å
367	D	83	Confident	83.6	Confident	61 Å²	61	54.8 Å²	54.8	33%	0.326	29%	0.291	S	S	.	.	S	Bend	trans	64.8	175.1	-164.7	87.6	42.3	0	0	0	115.1	N369 C370 T371 T372	D367-N369 VanDerWaalsContact C-N 3.29Å; D367-N369 PolarHBondContact O-N 2.73Å; D367-N369 WeakPolarHBondContact OD1-CA 3.12Å; D367-N369 WeakPolarHBondContact OD1-CB 3.08Å; D367-N369 PolarHBondContact OD1-N 2.89Å; D367-C370 PolarHBondContact OD1-N 3.15Å; D367-T371 VanDerWaalsContact CG-OG1 3.25Å; D367-T371 PolarHBondContact OD1-N 3.11Å; D367-T371 VanDerWaalsContact OD1-N 3.11Å; D367-T371 PolarHBondContact OD1-OG1 2.68Å; D367-T371 VanDerWaalsContact OD1-OG1 3.09Å; D367-T371 WeakPolarHBondContact OD2-CB 3.3Å; D367-T371 PolarHBondContact OD2-N 2.79Å; D367-T371 PolarHBondContact OD2-OG1 2.95Å; D367-T372 WeakPolarHBondContact OD2-CB 3.37Å; D367-T372 PolarHBondContact OD2-N 3.38Å; D367-T372 PolarHBondContact OD2-OG1 3.17Å
368	K	83.5	Confident	83.8	Confident	101 Å²	101	61.2 Å²	61.2	44%	0.439	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.9	-173	179.6	165.1	172.8	168.1	0	114.2	D356 Y357 C359	D356-K368 WeakPolarHBondContact OD1-CE 3.32Å; D356-K368 IonicContact OD1-NZ 2.87Å; D356-K368 PolarHBondContact OD1-NZ 3.13Å; D356-K368 IonicContact OD2-NZ 3.29Å; D356-K368 PolarHBondContact OD2-NZ 3.44Å; Y357-K368 HydrophobicContact CE2-CG 3.89Å; C359-K368 WeakPolarHBondContact CB-O 3.34Å; C359-K368 PolarHBondContact SG-O 3.29Å
369	N	85.7	Confident	83.8	Confident	50 Å²	50	63.8 Å²	63.8	27%	0.267	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-0.5	-175.9	-57.8	-30.2	0	0	0	112.6	C344 R345 Y357 D367 T371	C344-N369 CarbonylContact C-O 3.5Å; C344-N369 WeakPolarHBondContact CA-O 3.46Å; R345-N369 PolarHBondContact N-O 3.19Å; Y357-N369 WeakPolarHBondContact CE2-OD1 3.43Å; Y357-N369 PolarHBondContact OH-OD1 2.81Å; D367-N369 VanDerWaalsContact C-N 3.29Å; D367-N369 PolarHBondContact O-N 2.73Å; D367-N369 WeakPolarHBondContact OD1-CA 3.12Å; D367-N369 WeakPolarHBondContact OD1-CB 3.08Å; D367-N369 PolarHBondContact OD1-N 2.89Å; N369-T371 HydrophobicContact CB-CG2 4.1Å; N369-T371 PolarHBondContact O-N 3.45Å
370	C	86.7	Confident	83.6	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.007	35%	0.35	C	S	.	.	S	Bend	trans	58.1	30.7	-168.1	-39.1	0	0	0	0	112.9	N346 C359 C361 E366 D367	N346-C370 PolarHBondContact ND2-O 2.84Å; C359-C370 WeakPolarHBondContact CB-SG 3.24Å; C361-C370 WeakPolarHBondContact CA-SG 3.43Å; C361-C370 HydrophobicContact CB-CB 3.79Å; C361-C370 WeakPolarHBondContact CB-SG 3.37Å; C361-C370 WeakPolarHBondContact SG-CA 3.3Å; C361-C370 WeakPolarHBondContact SG-CB 2.97Å; C361-C370 CovalentContact SG-SG 2.04Å; C361-C370 PolarHBondContact SG-SG 2.95Å; E366-C370 WeakPolarHBondContact O-CA 3.37Å; D367-C370 PolarHBondContact OD1-N 3.15Å
371	T	83.7	Confident	83.5	Confident	70 Å²	70	64.6 Å²	64.6	43%	0.429	34%	0.341	S	S	.	.			trans	-86.3	-33.2	-178.3	30.4	0	0	0	0	113.6	R345 D367 N369	R345-T371 HydrophobicContact CB-CG2 3.79Å; R345-T371 HydrophobicContact CG-CG2 3.48Å; R345-T371 VanDerWaalsContact CG-CG2 3.48Å; D367-T371 VanDerWaalsContact CG-OG1 3.25Å; D367-T371 PolarHBondContact OD1-N 3.11Å; D367-T371 VanDerWaalsContact OD1-N 3.11Å; D367-T371 PolarHBondContact OD1-OG1 2.68Å; D367-T371 VanDerWaalsContact OD1-OG1 3.09Å; D367-T371 WeakPolarHBondContact OD2-CB 3.3Å; D367-T371 PolarHBondContact OD2-N 2.79Å; D367-T371 PolarHBondContact OD2-OG1 2.95Å; N369-T371 HydrophobicContact CB-CG2 4.1Å; N369-T371 PolarHBondContact O-N 3.45Å
372	T	81	Confident	83.5	Confident	64 Å²	64	62.7 Å²	62.7	39%	0.393	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.8	-177.4	-58.9	0	0	0	0	109.2	Y365 E366 D367	Y365-T372 WeakPolarHBondContact CA-O 3.4Å; E366-T372 HydrophobicContact CG-CG2 4.1Å; E366-T372 PolarHBondContact N-O 2.81Å; D367-T372 WeakPolarHBondContact OD2-CB 3.37Å; D367-T372 PolarHBondContact OD2-N 3.38Å; D367-T372 PolarHBondContact OD2-OG1 3.17Å
373	N	81.7	Confident	83.6	Confident	34 Å²	34	59.7 Å²	59.7	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	137.1	166.9	-159.7	70.4	0	0	0	107.9	G364 Y365 D375 D390 G391 I392	G364-N373 PolarHBondContact O-OD1 2.88Å; Y365-N373 HydrophobicContact CE1-CB 4.48Å; N373-D375 PolarHBondContact O-N 2.97Å; N373-D375 VanDerWaalsContact O-N 3.09Å; N373-D390 PolarHBondContact ND2-OD1 3.09Å; N373-D390 PolarHBondContact ND2-OD2 3.09Å; N373-G391 PolarHBondContact ND2-O 3.43Å; N373-I392 WeakPolarHBondContact OD1-CA 3.48Å
374	I	83.1	Confident	83.8	Confident	59 Å²	59	60.2 Å²	60.2	30%	0.303	33%	0.326	S	S	.	.			trans	-64.3	115.5	171.3	-61.3	172.1	0	0	0	106.2	G364 E366 E376	G364-I374 PolarHBondContact O-N 2.94Å; E366-I374 HydrophobicContact CB-CG1 3.8Å; E366-I374 HydrophobicContact CG-CG1 3.93Å; I374-E376 HydrophobicContact CB-CG 4.27Å; I374-E376 HydrophobicContact CG2-CG 3.92Å; I374-E376 WeakPolarHBondContact O-CG 3.44Å; I374-E376 PolarHBondContact O-N 2.9Å
375	D	81	Confident	84	Confident	73 Å²	73	62.9 Å²	62.9	39%	0.39	34%	0.338	S	S	.	.			trans	-67.2	89.6	171.9	174.8	8.6	0	0	0	108.3	N373 C377 R378	N373-D375 PolarHBondContact O-N 2.97Å; N373-D375 VanDerWaalsContact O-N 3.09Å; D375-C377 PolarHBondContact O-N 2.03Å; D375-C377 WeakPolarHBondContact OD1-CA 3.33Å; D375-C377 VanDerWaalsContact OD1-CB 3.3Å; D375-C377 WeakPolarHBondContact OD1-CB 3.28Å; D375-C377 PolarHBondContact OD1-N 3.26Å; D375-C377 VanDerWaalsContact OD1-N 3.11Å; D375-R378 HydrophobicContact CB-CB 4.17Å; D375-R378 WeakPolarHBondContact O-CB 3.35Å; D375-R378 PolarHBondContact O-N 3.13Å; D375-R378 PolarHBondContact OD1-N 2.83Å; D375-R378 WeakPolarHBondContact OD2-CB 3Å
376	E	84.7	Confident	84	Confident	42 Å²	42	61.6 Å²	61.6	20%	0.196	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.9	-178.9	-71.7	153	-169.8	0	0	110.7	I374 R378 P381 D390 N393 K394 Y395	I374-E376 HydrophobicContact CB-CG 4.27Å; I374-E376 HydrophobicContact CG2-CG 3.92Å; I374-E376 WeakPolarHBondContact O-CG 3.44Å; I374-E376 PolarHBondContact O-N 2.9Å; E376-R378 VanDerWaalsContact C-N 3.35Å; E376-P381 WeakPolarHBondContact O-CD 3.49Å; E376-P381 WeakPolarHBondContact O-CG 3.36Å; E376-D390 PolarHBondContact N-OD1 2.04Å; E376-D390 VanDerWaalsContact N-OD1 3.15Å; E376-N393 VanDerWaalsContact OE1-CA 3.28Å; E376-N393 WeakPolarHBondContact OE1-CA 3.47Å; E376-K394 WeakPolarHBondContact OE2-CA 3.44Å; E376-K394 PolarHBondContact OE2-N 2.85Å; E376-Y395 HydrophobicContact CB-CD1 3.96Å; E376-Y395 PolarHBondContact OE2-N 2.63Å
377	C	86.5	Confident	84.3	Confident	22 Å²	22	62 Å²	62	15%	0.149	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.8	170.4	-66.3	0	0	0	0	114.3	D375 N379 N380 C388 E389 D390	D375-C377 PolarHBondContact O-N 2.03Å; D375-C377 WeakPolarHBondContact OD1-CA 3.33Å; D375-C377 VanDerWaalsContact OD1-CB 3.3Å; D375-C377 WeakPolarHBondContact OD1-CB 3.28Å; D375-C377 PolarHBondContact OD1-N 3.26Å; D375-C377 VanDerWaalsContact OD1-N 3.11Å; C377-N379 VanDerWaalsContact C-N 3.27Å; C377-N379 PolarHBondContact O-N 3.2Å; C377-N379 VanDerWaalsContact O-N 3.13Å; C377-N380 VanDerWaalsContact O-CA 3.32Å; C377-N380 WeakPolarHBondContact O-CA 2.99Å; C377-N380 PolarHBondContact O-N 3.38Å; C377-C388 WeakPolarHBondContact CA-SG 3.48Å; C377-C388 HydrophobicContact CB-CB 3.58Å; C377-C388 WeakPolarHBondContact CB-SG 3.32Å; C377-C388 WeakPolarHBondContact SG-CB 3.44Å; C377-C388 CovalentContact SG-SG 2.03Å; C377-C388 PolarHBondContact SG-SG 3.03Å; C377-E389 VanDerWaalsContact SG-C 3.56Å; C377-D390 PolarHBondContact SG-N 3.27Å
378	R	84.8	Confident	84.5	Confident	177 Å²	177	60.3 Å²	60.3	67%	0.668	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-32.4	-173.6	-171	173	-174.3	161.9	3.8	115.8	D375 E376	D375-R378 HydrophobicContact CB-CB 4.17Å; D375-R378 WeakPolarHBondContact O-CB 3.35Å; D375-R378 PolarHBondContact O-N 3.13Å; D375-R378 PolarHBondContact OD1-N 2.83Å; D375-R378 WeakPolarHBondContact OD2-CB 3Å; E376-R378 VanDerWaalsContact C-N 3.35Å
379	N	84.8	Confident	84.7	Confident	157 Å²	157	59.6 Å²	59.6	84%	0.84	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	8.4	176.7	-67.6	-42.8	0	0	0	112.8	C377	C377-N379 VanDerWaalsContact C-N 3.27Å; C377-N379 PolarHBondContact O-N 3.2Å; C377-N379 VanDerWaalsContact O-N 3.13Å
380	N	83	Confident	84.6	Confident	77 Å²	77	60.8 Å²	60.8	41%	0.412	34%	0.341	S	S	.	.			trans	44.7	70	-170.1	-169.1	21.4	0	0	0	113.8	C377 C382 G383	C377-N380 VanDerWaalsContact O-CA 3.32Å; C377-N380 WeakPolarHBondContact O-CA 2.99Å; C377-N380 PolarHBondContact O-N 3.38Å; N380-C382 PolarHBondContact O-N 2.81Å; N380-C382 VanDerWaalsContact O-N 3.13Å; N380-G383 PolarHBondContact ND2-O 2.86Å; N380-G383 PolarHBondContact O-N 2.81Å
381	P	84.9	Confident	84.4	Confident	35 Å²	35	61.5 Å²	61.5	23%	0.227	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.5	179.5	28.6	-35.8	0	0	0	112.8	E376 G383 Y395 N407	E376-P381 WeakPolarHBondContact O-CD 3.49Å; E376-P381 WeakPolarHBondContact O-CG 3.36Å; P381-G383 PolarHBondContact O-N 2.84Å; P381-Y395 HydrophobicContact CB-CD2 4.24Å; P381-Y395 HydrophobicContact CB-CE1 4.36Å; P381-Y395 HydrophobicContact CB-CE2 3.82Å; P381-Y395 HydrophobicContact CG-CD1 4.19Å; P381-Y395 HydrophobicContact CG-CD2 3.67Å; P381-Y395 HydrophobicContact CG-CE1 4.3Å; P381-Y395 HydrophobicContact CG-CE2 3.79Å; P381-Y395 HydrophobicContact CG-CG 3.88Å; P381-N407 WeakPolarHBondContact O-CB 3.21Å; P381-N407 PolarHBondContact O-OD1 2.86Å
382	C	85.4	Confident	84.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	8.6	-180	-50.3	0	0	0	0	114.7	N380 G386 C388 C397 N407	N380-C382 PolarHBondContact O-N 2.81Å; N380-C382 VanDerWaalsContact O-N 3.13Å; C382-G386 WeakPolarHBondContact CB-O 3.39Å; C382-G386 PolarHBondContact O-N 3.46Å; C382-C388 HydrophobicContact CB-CB 4.28Å; C382-C388 VanDerWaalsContact SG-CA 3.51Å; C382-C388 WeakPolarHBondContact SG-CB 3.1Å; C382-C397 WeakPolarHBondContact CA-SG 3Å; C382-C397 HydrophobicContact CB-CB 3.73Å; C382-C397 WeakPolarHBondContact CB-SG 3.39Å; C382-C397 WeakPolarHBondContact SG-CA 3.05Å; C382-C397 WeakPolarHBondContact SG-CB 3.49Å; C382-C397 CovalentContact SG-SG 2.02Å; C382-C397 PolarHBondContact SG-SG 3.25Å; C382-N407 CarbonylContact C-O 2.95Å; C382-N407 VanDerWaalsContact CA-O 3.23Å; C382-N407 WeakPolarHBondContact CA-O 3.37Å
383	G	84.4	Confident	84.2	Confident	36 Å²	36	64.1 Å²	64.1	37%	0.371	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-154.4	174.6	0	0	0	0	0	114.1	N380 P381 H385	N380-G383 PolarHBondContact ND2-O 2.86Å; N380-G383 PolarHBondContact O-N 2.81Å; P381-G383 PolarHBondContact O-N 2.84Å; G383-H385 VanDerWaalsContact C-N 3.35Å
384	A	83.9	Confident	84.3	Confident	84 Å²	84	68 Å²	68	69%	0.694	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.2	-179.5	0	0	0	0	0	113.8
385	H	83.7	Confident	84.4	Confident	57 Å²	57	67.8 Å²	67.8	26%	0.264	37%	0.368	S	S	.	.	S	Bend	trans	-119.6	25.9	-166.5	-53.2	-67.3	0	0	0	113.1	G383 C399 E400 Y403 C408	G383-H385 VanDerWaalsContact C-N 3.35Å; H385-C399 WeakPolarHBondContact O-CA 3.4Å; H385-E400 IonicContact ND1-OE2 3.22Å; H385-E400 PolarHBondContact O-N 3.45Å; H385-Y403 HydrophobicContact CB-CD1 3.72Å; H385-Y403 HydrophobicContact CB-CD2 3.61Å; H385-Y403 HydrophobicContact CB-CE1 4.08Å; H385-Y403 HydrophobicContact CB-CE2 3.99Å; H385-Y403 HydrophobicContact CB-CG 3.48Å; H385-Y403 VanDerWaalsContact CB-CG 3.48Å; H385-Y403 AromaticContact CD2-CD1 3.77Å; H385-Y403 AromaticContact CD2-CE1 3.32Å; H385-Y403 WeakPolarHBondContact CD2-CE1 3.44Å; H385-Y403 AromaticContact CD2-CZ 3.54Å; H385-Y403 AromaticContact CE1-CZ 3.71Å; H385-Y403 PolarHBondContact CE1-OH 3.09Å; H385-Y403 AromaticContact CG-CD1 3.79Å; H385-Y403 AromaticContact CG-CD2 3.83Å; H385-Y403 AromaticContact CG-CE1 3.61Å; H385-Y403 AromaticContact CG-CE2 3.65Å; H385-Y403 AromaticContact CG-CG 3.91Å; H385-Y403 AromaticContact CG-CZ 3.54Å; H385-Y403 AromaticContact ND1-CE2 3.64Å; H385-Y403 AromaticContact ND1-CZ 3.66Å; H385-Y403 AromaticContact NE2-CE1 3.83Å; H385-Y403 AromaticContact NE2-CZ 3.69Å; H385-C408 WeakPolarHBondContact O-CB 3.32Å
386	G	85.4	Confident	84.6	Confident	10 Å²	10	67.4 Å²	67.4	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	132.1	179.4	0	0	0	0	0	112.9	C382 K398	C382-G386 WeakPolarHBondContact CB-O 3.39Å; C382-G386 PolarHBondContact O-N 3.46Å; G386-K398 CarbonylContact C-O 3.59Å; G386-K398 WeakPolarHBondContact CA-O 3.23Å
387	T	88.7	Confident	84.8	Confident	91 Å²	91	66.6 Å²	66.6	56%	0.558	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.8	168.1	-61.5	0	0	0	0	108.8	K398	T387-K398 PolarHBondContact N-O 2.77Å; T387-K398 PolarHBondContact O-N 2.64Å
388	C	88.8	Confident	84.8	Confident	27 Å²	27	70.9 Å²	70.9	18%	0.182	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.8	178.2	-165.9	0	0	0	0	111.5	C377 C382	C377-C388 WeakPolarHBondContact CA-SG 3.48Å; C377-C388 HydrophobicContact CB-CB 3.58Å; C377-C388 WeakPolarHBondContact CB-SG 3.32Å; C377-C388 WeakPolarHBondContact SG-CB 3.44Å; C377-C388 CovalentContact SG-SG 2.03Å; C377-C388 PolarHBondContact SG-SG 3.03Å; C382-C388 HydrophobicContact CB-CB 4.28Å; C382-C388 VanDerWaalsContact SG-CA 3.51Å; C382-C388 WeakPolarHBondContact SG-CB 3.1Å
389	E	87.9	Confident	84.9	Confident	85 Å²	85	64.7 Å²	64.7	40%	0.397	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.5	168.2	-65.1	-168	145.1	0	0	110.2	C377 Y395 T396 K398	C377-E389 VanDerWaalsContact SG-C 3.56Å; E389-Y395 CarbonylContact O-C 3.57Å; E389-Y395 WeakPolarHBondContact O-CA 3.23Å; E389-T396 PolarHBondContact N-O 2.81Å; E389-T396 PolarHBondContact O-N 3.48Å; E389-K398 VanDerWaalsContact CD-CE 3.48Å; E389-K398 HydrophobicContact CG-CD 4.25Å; E389-K398 IonicContact OE1-NZ 2.63Å; E389-K398 PolarHBondContact OE1-NZ 3.29Å; E389-K398 WeakPolarHBondContact OE2-CE 3.38Å; E389-K398 IonicContact OE2-NZ 2.58Å; E389-K398 PolarHBondContact OE2-NZ 3.22Å
390	D	81.7	Confident	84.8	Confident	75 Å²	75	62.2 Å²	62.2	40%	0.401	35%	0.35	S	S	.	.			trans	-71.4	154.5	-178.4	-172.2	51.5	0	0	0	112.4	N373 E376 C377	N373-D390 PolarHBondContact ND2-OD1 3.09Å; N373-D390 PolarHBondContact ND2-OD2 3.09Å; E376-D390 PolarHBondContact N-OD1 2.04Å; E376-D390 VanDerWaalsContact N-OD1 3.15Å; C377-D390 PolarHBondContact SG-N 3.27Å
391	G	82.4	Confident	84.5	Confident	16 Å²	16	67.8 Å²	67.8	17%	0.165	37%	0.373	C	S	.	.			trans	-169	170.9	-177	0	0	0	0	0	113.2	N373 N393 K394	N373-G391 PolarHBondContact ND2-O 3.43Å; G391-N393 PolarHBondContact O-N 3.13Å; G391-K394 CarbonylContact C-O 3.59Å; G391-K394 WeakPolarHBondContact CA-O 3.05Å; G391-K394 PolarHBondContact N-O 3.38Å; G391-K394 VanDerWaalsContact N-O 3.13Å; G391-K394 PolarHBondContact O-N 2.76Å
392	I	81	Confident	84	Confident	100 Å²	100	66.6 Å²	66.6	51%	0.513	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	107.2	-171.7	-55	163	0	0	0	110	Y365 N373 K394	Y365-I392 HydrophobicContact CD2-CG2 4.47Å; Y365-I392 HydrophobicContact CE2-CG2 3.58Å; Y365-I392 VanDerWaalsContact OH-CD1 3.28Å; Y365-I392 WeakPolarHBondContact OH-CD1 3.22Å; Y365-I392 WeakPolarHBondContact OH-CG1 3.06Å; N373-I392 WeakPolarHBondContact OD1-CA 3.48Å; I392-K394 PolarHBondContact O-N 2.02Å
393	N	80.8	Confident	83.8	Confident	89 Å²	89	67.9 Å²	67.9	48%	0.476	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	28.8	-176.5	-159.7	73.8	0	0	0	113.5	A363 G364 E376 G391	A363-N393 WeakPolarHBondContact CB-OD1 3.17Å; A363-N393 WeakPolarHBondContact O-CB 3Å; G364-N393 PolarHBondContact N-OD1 3.23Å; E376-N393 VanDerWaalsContact OE1-CA 3.28Å; E376-N393 WeakPolarHBondContact OE1-CA 3.47Å; G391-N393 PolarHBondContact O-N 3.13Å
394	K	83.2	Confident	83.7	Confident	117 Å²	117	69.5 Å²	69.5	51%	0.509	38%	0.375	S	S	.	.			trans	-164.2	130.3	174	67.2	-162.9	-176.4	75.1	0	110.4	E376 G391 I392	E376-K394 WeakPolarHBondContact OE2-CA 3.44Å; E376-K394 PolarHBondContact OE2-N 2.85Å; G391-K394 CarbonylContact C-O 3.59Å; G391-K394 WeakPolarHBondContact CA-O 3.05Å; G391-K394 PolarHBondContact N-O 3.38Å; G391-K394 VanDerWaalsContact N-O 3.13Å; G391-K394 PolarHBondContact O-N 2.76Å; I392-K394 PolarHBondContact O-N 2.02Å
395	Y	86	Confident	83.6	Confident	53 Å²	53	67.1 Å²	67.1	21%	0.208	36%	0.359	C	S	.	.			trans	-83	160.1	155.9	58.1	-81.9	0	0	0	110.5	E376 P381 E389 W406 N407	E376-Y395 HydrophobicContact CB-CD1 3.96Å; E376-Y395 PolarHBondContact OE2-N 2.63Å; P381-Y395 HydrophobicContact CB-CD2 4.24Å; P381-Y395 HydrophobicContact CB-CE1 4.36Å; P381-Y395 HydrophobicContact CB-CE2 3.82Å; P381-Y395 HydrophobicContact CG-CD1 4.19Å; P381-Y395 HydrophobicContact CG-CD2 3.67Å; P381-Y395 HydrophobicContact CG-CE1 4.3Å; P381-Y395 HydrophobicContact CG-CE2 3.79Å; P381-Y395 HydrophobicContact CG-CG 3.88Å; E389-Y395 CarbonylContact O-C 3.57Å; E389-Y395 WeakPolarHBondContact O-CA 3.23Å; Y395-W406 AromaticContact CE2-CD1 3.62Å; Y395-W406 AromaticContact CE2-NE1 3.3Å; Y395-W406 VanDerWaalsContact CE2-NE1 3.3Å; Y395-W406 AromaticContact CZ-CD1 3.75Å; Y395-W406 AromaticContact CZ-NE1 3.32Å; Y395-W406 VanDerWaalsContact CZ-NE1 3.32Å; Y395-W406 PolarHBondContact OH-NE1 2.84Å; Y395-N407 WeakPolarHBondContact CE2-OD1 3.45Å; Y395-N407 PolarHBondContact OH-OD1 3.18Å
396	T	85.1	Confident	83.5	Confident	66 Å²	66	72.8 Å²	72.8	41%	0.405	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	114.6	171.8	-55	0	0	0	0	108.8	E389	E389-T396 PolarHBondContact N-O 2.81Å; E389-T396 PolarHBondContact O-N 3.48Å
397	C	88.8	Confident	83.5	Confident	24 Å²	24	74.4 Å²	74.4	16%	0.162	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.2	178.6	-62.2	0	0	0	0	111.5	C382 W406 C408	C382-C397 WeakPolarHBondContact CA-SG 3Å; C382-C397 HydrophobicContact CB-CB 3.73Å; C382-C397 WeakPolarHBondContact CB-SG 3.39Å; C382-C397 WeakPolarHBondContact SG-CA 3.05Å; C382-C397 WeakPolarHBondContact SG-CB 3.49Å; C382-C397 CovalentContact SG-SG 2.02Å; C382-C397 PolarHBondContact SG-SG 3.25Å; C397-W406 WeakPolarHBondContact CB-O 3.43Å; C397-W406 PolarHBondContact SG-O 3.07Å; C397-C408 VanDerWaalsContact CB-SG 3.51Å
398	K	86.9	Confident	83.2	Confident	113 Å²	113	70.2 Å²	70.2	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	97.1	166	-79.2	178.4	170.4	162.2	0	108.9	G386 T387 E389	G386-K398 CarbonylContact C-O 3.59Å; G386-K398 WeakPolarHBondContact CA-O 3.23Å; T387-K398 PolarHBondContact N-O 2.77Å; T387-K398 PolarHBondContact O-N 2.64Å; E389-K398 VanDerWaalsContact CD-CE 3.48Å; E389-K398 HydrophobicContact CG-CD 4.25Å; E389-K398 IonicContact OE1-NZ 2.63Å; E389-K398 PolarHBondContact OE1-NZ 3.29Å; E389-K398 WeakPolarHBondContact OE2-CE 3.38Å; E389-K398 IonicContact OE2-NZ 2.58Å; E389-K398 PolarHBondContact OE2-NZ 3.22Å
399	C	85.7	Confident	82.9	Confident	46 Å²	46	74 Å²	74	31%	0.311	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	146.4	-178.9	-52.2	0	0	0	0	112.6	H385 Y403 C408	H385-C399 WeakPolarHBondContact O-CA 3.4Å; C399-Y403 VanDerWaalsContact CB-O 3.23Å; C399-Y403 WeakPolarHBondContact CB-O 3.47Å; C399-C408 WeakPolarHBondContact CA-SG 3.32Å; C399-C408 HydrophobicContact CB-CB 3.74Å; C399-C408 WeakPolarHBondContact CB-SG 3.32Å; C399-C408 PolarHBondContact N-SG 3.32Å; C399-C408 VanDerWaalsContact N-SG 3.43Å; C399-C408 WeakPolarHBondContact SG-CA 3.09Å; C399-C408 WeakPolarHBondContact SG-CB 3.34Å; C399-C408 CovalentContact SG-SG 2.04Å; C399-C408 PolarHBondContact SG-SG 3.16Å
400	E	82.8	Confident	82.5	Confident	105 Å²	105	73.7 Å²	73.7	49%	0.491	38%	0.381	S	S	.	.			trans	-67.2	160.8	168.1	-64.9	-170.7	139.7	0	0	110.9	H385 G402 Y403	H385-E400 IonicContact ND1-OE2 3.22Å; H385-E400 PolarHBondContact O-N 3.45Å; E400-G402 PolarHBondContact O-N 3.01Å; E400-Y403 PolarHBondContact O-N 3.3Å
401	Q	77.1	Confident	82.1	Confident	195 Å²	195	72.6 Å²	72.6	91%	0.911	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	110.9	-175.4	-165.6	167.2	18.2	0	0	109.9	A433	Q401-A433 WeakPolarHBondContact O-CB 3.25Å
402	G	74.5	Confident	81.6	Confident	10 Å²	10	75 Å²	75	10%	0.103	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	116.7	-6.2	-173.1	0	0	0	0	0	114.8	E400 I412	E400-G402 PolarHBondContact O-N 3.01Å; G402-I412 WeakPolarHBondContact O-CB 3.36Å; G402-I412 WeakPolarHBondContact O-CG1 3.08Å; G402-I412 PolarHBondContact O-N 3.48Å
403	Y	82	Confident	81	Confident	26 Å²	26	73.8 Å²	73.8	10%	0.102	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.5	179.9	-68.1	-97.1	0	0	0	112.9	H385 C399 E400 E411	H385-Y403 HydrophobicContact CB-CD1 3.72Å; H385-Y403 HydrophobicContact CB-CD2 3.61Å; H385-Y403 HydrophobicContact CB-CE1 4.08Å; H385-Y403 HydrophobicContact CB-CE2 3.99Å; H385-Y403 HydrophobicContact CB-CG 3.48Å; H385-Y403 VanDerWaalsContact CB-CG 3.48Å; H385-Y403 AromaticContact CD2-CD1 3.77Å; H385-Y403 AromaticContact CD2-CE1 3.32Å; H385-Y403 WeakPolarHBondContact CD2-CE1 3.44Å; H385-Y403 AromaticContact CD2-CZ 3.54Å; H385-Y403 AromaticContact CE1-CZ 3.71Å; H385-Y403 PolarHBondContact CE1-OH 3.09Å; H385-Y403 AromaticContact CG-CD1 3.79Å; H385-Y403 AromaticContact CG-CD2 3.83Å; H385-Y403 AromaticContact CG-CE1 3.61Å; H385-Y403 AromaticContact CG-CE2 3.65Å; H385-Y403 AromaticContact CG-CG 3.91Å; H385-Y403 AromaticContact CG-CZ 3.54Å; H385-Y403 AromaticContact ND1-CE2 3.64Å; H385-Y403 AromaticContact ND1-CZ 3.66Å; H385-Y403 AromaticContact NE2-CE1 3.83Å; H385-Y403 AromaticContact NE2-CZ 3.69Å; C399-Y403 VanDerWaalsContact CB-O 3.23Å; C399-Y403 WeakPolarHBondContact CB-O 3.47Å; E400-Y403 PolarHBondContact O-N 3.3Å; Y403-E411 HydrophobicContact CD1-CB 3.99Å; Y403-E411 HydrophobicContact CD1-CG 4.14Å; Y403-E411 HydrophobicContact CE1-CB 3.75Å; Y403-E411 HydrophobicContact CE1-CG 3.71Å
404	T	82.3	Confident	80.3	Confident	70 Å²	70	70.7 Å²	70.7	43%	0.429	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-168.8	-177.5	-162.6	0	0	0	0	110.9	C408 D409 V410 I412	T404-C408 CarbonylContact O-C 3.57Å; T404-C408 WeakPolarHBondContact O-CA 3.21Å; T404-D409 PolarHBondContact O-N 3.06Å; T404-V410 CarbonylContact C-O 3.45Å; T404-V410 WeakPolarHBondContact CA-O 3.4Å; T404-V410 HydrophobicContact CG2-CB 4.12Å; T404-V410 HydrophobicContact CG2-CG1 4.04Å; T404-V410 WeakPolarHBondContact CG2-O 3.41Å; T404-V410 PolarHBondContact N-O 2.81Å; T404-V410 CarbonylContact O-C 3.58Å; T404-V410 PolarHBondContact O-N 3.11Å; T404-I412 HydrophobicContact CG2-CG1 3.65Å
405	G	81	Confident	79.8	Confident	35 Å²	35	66 Å²	66	36%	0.361	34%	0.341	S	S	.	.	S	Bend	trans	85.5	172.2	-166.7	0	0	0	0	0	111.7	N407	G405-N407 VanDerWaalsContact C-N 3.28Å; G405-N407 PolarHBondContact O-N 3.28Å
406	W	81.5	Confident	79	Confident	176 Å²	176	71.1 Å²	71.1	67%	0.667	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-28.8	-177	-174.6	-86	0	0	0	112.2	Y395 C397	Y395-W406 AromaticContact CE2-CD1 3.62Å; Y395-W406 AromaticContact CE2-NE1 3.3Å; Y395-W406 VanDerWaalsContact CE2-NE1 3.3Å; Y395-W406 AromaticContact CZ-CD1 3.75Å; Y395-W406 AromaticContact CZ-NE1 3.32Å; Y395-W406 VanDerWaalsContact CZ-NE1 3.32Å; Y395-W406 PolarHBondContact OH-NE1 2.84Å; C397-W406 WeakPolarHBondContact CB-O 3.43Å; C397-W406 PolarHBondContact SG-O 3.07Å
407	N	84.5	Confident	78	Confident	44 Å²	44	73.2 Å²	73.2	24%	0.235	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	14.8	-178	-70.3	-25.1	0	0	0	112.8	P381 C382 Y395 G405 D409	P381-N407 WeakPolarHBondContact O-CB 3.21Å; P381-N407 PolarHBondContact O-OD1 2.86Å; C382-N407 CarbonylContact C-O 2.95Å; C382-N407 VanDerWaalsContact CA-O 3.23Å; C382-N407 WeakPolarHBondContact CA-O 3.37Å; Y395-N407 WeakPolarHBondContact CE2-OD1 3.45Å; Y395-N407 PolarHBondContact OH-OD1 3.18Å; G405-N407 VanDerWaalsContact C-N 3.28Å; G405-N407 PolarHBondContact O-N 3.28Å; N407-D409 HydrophobicContact CB-CB 3.97Å; N407-D409 WeakPolarHBondContact CB-OD1 3.38Å; N407-D409 PolarHBondContact N-OD1 3.08Å; N407-D409 PolarHBondContact O-N 2.89Å; N407-D409 VanDerWaalsContact O-N 3.09Å
408	C	83.9	Confident	76.5	Confident	3 Å²	3	76.2 Å²	76.2	2%	0.02	39%	0.385	C	S	.	.	S	Bend	trans	53.9	26.4	-170.8	-50.2	0	0	0	0	113.5	H385 C397 C399 T404	H385-C408 WeakPolarHBondContact O-CB 3.32Å; C397-C408 VanDerWaalsContact CB-SG 3.51Å; C399-C408 WeakPolarHBondContact CA-SG 3.32Å; C399-C408 HydrophobicContact CB-CB 3.74Å; C399-C408 WeakPolarHBondContact CB-SG 3.32Å; C399-C408 PolarHBondContact N-SG 3.32Å; C399-C408 VanDerWaalsContact N-SG 3.43Å; C399-C408 WeakPolarHBondContact SG-CA 3.09Å; C399-C408 WeakPolarHBondContact SG-CB 3.34Å; C399-C408 CovalentContact SG-SG 2.04Å; C399-C408 PolarHBondContact SG-SG 3.16Å; T404-C408 CarbonylContact O-C 3.57Å; T404-C408 WeakPolarHBondContact O-CA 3.21Å
409	D	82.1	Confident	75.1	Confident	107 Å²	107	79.3 Å²	79.3	57%	0.572	40%	0.401	S	S	*	.			trans	-94.8	-11.4	-173.4	57.3	-30.5	0	0	0	113	T404 N407	T404-D409 PolarHBondContact O-N 3.06Å; N407-D409 HydrophobicContact CB-CB 3.97Å; N407-D409 WeakPolarHBondContact CB-OD1 3.38Å; N407-D409 PolarHBondContact N-OD1 3.08Å; N407-D409 PolarHBondContact O-N 2.89Å; N407-D409 VanDerWaalsContact O-N 3.09Å
410	V	79.5	Confident	73.9	Confident	77 Å²	77	84.2 Å²	84.2	47%	0.467	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	103.3	172	-177.4	0	0	0	0	107.7	T404 I412	T404-V410 CarbonylContact C-O 3.45Å; T404-V410 WeakPolarHBondContact CA-O 3.4Å; T404-V410 HydrophobicContact CG2-CB 4.12Å; T404-V410 HydrophobicContact CG2-CG1 4.04Å; T404-V410 WeakPolarHBondContact CG2-O 3.41Å; T404-V410 PolarHBondContact N-O 2.81Å; T404-V410 CarbonylContact O-C 3.58Å; T404-V410 PolarHBondContact O-N 3.11Å; V410-I412 PolarHBondContact O-N 2.96Å
411	E	73.6	Confident	73.5	Confident	53 Å²	53	81.7 Å²	81.7	25%	0.248	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	137.4	167.4	-164.7	-172.7	-178.2	0	0	109.6	Y403 D413 R429 E432 A433	Y403-E411 HydrophobicContact CD1-CB 3.99Å; Y403-E411 HydrophobicContact CD1-CG 4.14Å; Y403-E411 HydrophobicContact CE1-CB 3.75Å; Y403-E411 HydrophobicContact CE1-CG 3.71Å; E411-D413 PolarHBondContact O-N 3.1Å; E411-D413 VanDerWaalsContact O-N 3.16Å; E411-R429 VanDerWaalsContact CD-CZ 3.45Å; E411-R429 VanDerWaalsContact CD-NH2 3.32Å; E411-R429 IonicContact OE1-CZ 3.8Å; E411-R429 IonicContact OE1-NE 3.83Å; E411-R429 IonicContact OE1-NH1 3.91Å; E411-R429 PolarHBondContact OE1-NH1 3.19Å; E411-R429 IonicContact OE1-NH2 3.4Å; E411-R429 PolarHBondContact OE1-NH2 3.07Å; E411-R429 IonicContact OE2-CZ 3.86Å; E411-R429 IonicContact OE2-NH1 2.81Å; E411-R429 PolarHBondContact OE2-NH1 2.8Å; E411-R429 IonicContact OE2-NH2 2.62Å; E411-E432 WeakPolarHBondContact OE1-CA 3.42Å; E411-A433 PolarHBondContact OE1-N 3.49Å
412	I	71.3	Confident	73.7	Confident	66 Å²	66	72.6 Å²	72.6	34%	0.338	37%	0.37	S	S	.	.			trans	-71.1	111.8	176.5	-61	172.5	0	0	0	107.1	G402 T404 V410 E414 R429	G402-I412 WeakPolarHBondContact O-CB 3.36Å; G402-I412 WeakPolarHBondContact O-CG1 3.08Å; G402-I412 PolarHBondContact O-N 3.48Å; T404-I412 HydrophobicContact CG2-CG1 3.65Å; V410-I412 PolarHBondContact O-N 2.96Å; I412-E414 HydrophobicContact CG2-CG 4.21Å; I412-E414 PolarHBondContact O-N 2.81Å; I412-E414 VanDerWaalsContact O-N 3.11Å; I412-R429 PolarHBondContact O-NH2 2.82Å
413	D	67.8	Low	74.1	Confident	74 Å²	74	77.1 Å²	77.1	40%	0.396	39%	0.392	S	S	.	.			trans	-73.1	95.2	163	172.1	8.6	0	0	0	107.9	E411 C415 K416	E411-D413 PolarHBondContact O-N 3.1Å; E411-D413 VanDerWaalsContact O-N 3.16Å; D413-C415 PolarHBondContact O-N 3.05Å; D413-C415 PolarHBondContact OD1-N 3.05Å; D413-C415 VanDerWaalsContact OD1-N 3.17Å; D413-K416 HydrophobicContact CB-CB 4.04Å; D413-K416 HydrophobicContact CB-CD 4.25Å; D413-K416 WeakPolarHBondContact O-CB 3.04Å; D413-K416 PolarHBondContact O-N 3.16Å; D413-K416 PolarHBondContact OD1-N 3.03Å; D413-K416 WeakPolarHBondContact OD2-CB 3.06Å
414	E	66.8	Low	74.3	Confident	24 Å²	24	78.4 Å²	78.4	11%	0.112	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-64.6	-27.6	-178.3	-53	94.2	152.6	0	0	111.5	I412 K416 L421 R429 A433 Y435	I412-E414 HydrophobicContact CG2-CG 4.21Å; I412-E414 PolarHBondContact O-N 2.81Å; I412-E414 VanDerWaalsContact O-N 3.11Å; E414-K416 VanDerWaalsContact C-N 3.33Å; E414-L421 HydrophobicContact CB-CD2 3.98Å; E414-L421 WeakPolarHBondContact O-CD2 3.3Å; E414-R429 IonicContact OE2-CZ 2.62Å; E414-R429 IonicContact OE2-NE 3.66Å; E414-R429 PolarHBondContact OE2-NE 3.33Å; E414-R429 IonicContact OE2-NH2 2.69Å; E414-R429 PolarHBondContact OE2-NH2 3.07Å; E414-A433 VanDerWaalsContact OE1-C 3.31Å; E414-A433 VanDerWaalsContact OE1-CA 3.32Å; E414-A433 WeakPolarHBondContact OE1-CA 3.41Å; E414-Y435 HydrophobicContact CB-CD1 3.83Å; E414-Y435 HydrophobicContact CB-CG 4.01Å; E414-Y435 HydrophobicContact CG-CD1 3.82Å; E414-Y435 HydrophobicContact CG-CG 4.42Å
415	C	73.4	Confident	74.5	Confident	20 Å²	20	75.4 Å²	75.4	14%	0.135	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-82.8	-7.1	179.1	-58.3	0	0	0	0	113.5	D413 N417 Q418 C427	D413-C415 PolarHBondContact O-N 3.05Å; D413-C415 PolarHBondContact OD1-N 3.05Å; D413-C415 VanDerWaalsContact OD1-N 3.17Å; C415-N417 PolarHBondContact O-N 3.17Å; C415-N417 VanDerWaalsContact O-N 3.09Å; C415-Q418 HydrophobicContact CB-CG 4.48Å; C415-Q418 WeakPolarHBondContact O-CG 3.08Å; C415-Q418 PolarHBondContact O-N 2.89Å; C415-C427 WeakPolarHBondContact CA-SG 3.3Å; C415-C427 HydrophobicContact CB-CB 3.61Å; C415-C427 WeakPolarHBondContact CB-SG 3.24Å; C415-C427 WeakPolarHBondContact SG-CB 3.41Å; C415-C427 PolarHBondContact SG-O 3.09Å; C415-C427 VanDerWaalsContact SG-O 3.41Å; C415-C427 CovalentContact SG-SG 2.05Å; C415-C427 PolarHBondContact SG-SG 3.26Å
416	K	69.5	Low	74.7	Confident	160 Å²	160	78.1 Å²	78.1	70%	0.696	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-58.9	-24.7	178.9	-152.7	164.4	-168.8	161.9	0	114.1	D413 E414	D413-K416 HydrophobicContact CB-CB 4.04Å; D413-K416 HydrophobicContact CB-CD 4.25Å; D413-K416 WeakPolarHBondContact O-CB 3.04Å; D413-K416 PolarHBondContact O-N 3.16Å; D413-K416 PolarHBondContact OD1-N 3.03Å; D413-K416 WeakPolarHBondContact OD2-CB 3.06Å; E414-K416 VanDerWaalsContact C-N 3.33Å
417	N	64.1	Low	74.9	Confident	109 Å²	109	70 Å²	70	58%	0.583	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-120.2	54.1	172.5	-72.5	-39.6	0	0	0	110.5	C415 H419 L420	C415-N417 PolarHBondContact O-N 3.17Å; C415-N417 VanDerWaalsContact O-N 3.09Å; N417-H419 VanDerWaalsContact C-N 3.28Å; N417-H419 PolarHBondContact O-N 2.05Å; N417-H419 VanDerWaalsContact O-N 3.1Å; N417-L420 HydrophobicContact CB-CB 4.17Å; N417-L420 HydrophobicContact CB-CD1 4.04Å; N417-L420 PolarHBondContact O-N 3.41Å
418	Q	56.9	Low	74.8	Confident	88 Å²	88	69.6 Å²	69.6	41%	0.411	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-36.4	-53.7	178.5	-96.3	159.4	-3.8	0	0	113.9	C415 L420 L421 C422 C427	C415-Q418 HydrophobicContact CB-CG 4.48Å; C415-Q418 WeakPolarHBondContact O-CG 3.08Å; C415-Q418 PolarHBondContact O-N 2.89Å; Q418-L420 PolarHBondContact O-N 3.06Å; Q418-L420 VanDerWaalsContact O-N 3.08Å; Q418-L421 PolarHBondContact O-N 3.46Å; Q418-L421 VanDerWaalsContact O-N 3.16Å; Q418-C422 PolarHBondContact O-N 2.04Å; Q418-C427 HydrophobicContact CG-CB 3.75Å
419	H	56.5	Low	74.2	Confident	178 Å²	178	74.3 Å²	74.3	82%	0.824	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65.5	-3.2	179.8	-75.4	-68.4	0	0	0	116.8	N417	N417-H419 VanDerWaalsContact C-N 3.28Å; N417-H419 PolarHBondContact O-N 2.05Å; N417-H419 VanDerWaalsContact O-N 3.1Å
420	L	61.4	Low	74	Confident	148 Å²	148	73.1 Å²	73.1	78%	0.775	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-112.3	0	177	-82.2	150.7	0	0	0	112.6	N417 Q418	N417-L420 HydrophobicContact CB-CB 4.17Å; N417-L420 HydrophobicContact CB-CD1 4.04Å; N417-L420 PolarHBondContact O-N 3.41Å; Q418-L420 PolarHBondContact O-N 3.06Å; Q418-L420 VanDerWaalsContact O-N 3.08Å
421	L	73.9	Confident	73.5	Confident	53 Å²	53	75.5 Å²	75.5	28%	0.277	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-29.7	-172.2	-155.8	70.6	0	0	0	113.9	E414 Q418 Y435 L447	E414-L421 HydrophobicContact CB-CD2 3.98Å; E414-L421 WeakPolarHBondContact O-CD2 3.3Å; Q418-L421 PolarHBondContact O-N 3.46Å; Q418-L421 VanDerWaalsContact O-N 3.16Å; L421-Y435 HydrophobicContact CD2-CD1 4.34Å; L421-Y435 HydrophobicContact CD2-CD2 3.85Å; L421-Y435 HydrophobicContact CD2-CE1 4.07Å; L421-Y435 HydrophobicContact CD2-CE2 3.53Å; L421-Y435 HydrophobicContact CD2-CG 4.26Å; L421-Y435 HydrophobicContact CG-CE2 3.85Å; L421-L447 WeakPolarHBondContact O-CD2 3.25Å
422	C	81.1	Confident	73	Confident	3 Å²	3	79.8 Å²	79.8	2%	0.02	39%	0.393	C	S	.	.			trans	-124.6	121.6	167.8	-52	0	0	0	0	107.6	Q418 G425 C437 L447	Q418-C422 PolarHBondContact O-N 2.04Å; C422-G425 VanDerWaalsContact CB-O 3.24Å; C422-G425 WeakPolarHBondContact CB-O 3.22Å; C422-C437 HydrophobicContact CB-CB 3.79Å; C422-C437 WeakPolarHBondContact CB-SG 3.43Å; C422-C437 VanDerWaalsContact SG-CA 3.59Å; C422-C437 WeakPolarHBondContact SG-CB 3.4Å; C422-C437 CovalentContact SG-SG 2.04Å; C422-C437 PolarHBondContact SG-SG 3.3Å; C422-L447 CarbonylContact C-O 3.35Å; C422-L447 VanDerWaalsContact CA-O 3.3Å; C422-L447 WeakPolarHBondContact CA-O 3.27Å
423	D	83.7	Confident	72.6	Confident	106 Å²	106	78.6 Å²	78.6	57%	0.567	39%	0.393	S	S	*	.	S	Bend	trans	-79.2	-56.9	-174.3	-161.4	39.9	0	0	0	110.2	L447	D423-L447 PolarHBondContact N-O 2.86Å
424	H	86.6	Confident	72.7	Confident	53 Å²	53	79 Å²	79	25%	0.245	39%	0.393	C	S	.	.	S	Bend	trans	-116.8	48.9	176.4	-55.6	86.8	0	0	0	112.4	Y440 Y443 C448	H424-Y440 VanDerWaalsContact O-CD2 3.32Å; H424-Y440 WeakPolarHBondContact O-CD2 3.35Å; H424-Y440 PolarHBondContact O-N 3.22Å; H424-Y443 HydrophobicContact CB-CD1 3.58Å; H424-Y443 HydrophobicContact CB-CD2 3.43Å; H424-Y443 VanDerWaalsContact CB-CD2 3.43Å; H424-Y443 HydrophobicContact CB-CE1 3.84Å; H424-Y443 HydrophobicContact CB-CE2 3.71Å; H424-Y443 HydrophobicContact CB-CG 3.34Å; H424-Y443 AromaticContact CD2-CE1 3.63Å; H424-Y443 AromaticContact CD2-CE2 3.72Å; H424-Y443 AromaticContact CD2-CZ 3.29Å; H424-Y443 PolarHBondContact CD2-OH 3.34Å; H424-Y443 AromaticContact CE1-CE1 3.79Å; H424-Y443 AromaticContact CG-CD1 3.58Å; H424-Y443 AromaticContact CG-CD2 3.98Å; H424-Y443 AromaticContact CG-CE1 3.35Å; H424-Y443 AromaticContact CG-CE2 3.77Å; H424-Y443 AromaticContact CG-CG 3.87Å; H424-Y443 AromaticContact CG-CZ 3.44Å; H424-Y443 VanDerWaalsContact CG-CZ 3.44Å; H424-Y443 AromaticContact ND1-CD1 3.71Å; H424-Y443 AromaticContact ND1-CE1 3.45Å; H424-Y443 WeakPolarHBondContact ND1-CE1 3.46Å; H424-Y443 AromaticContact ND1-CZ 3.97Å; H424-Y443 AromaticContact NE2-CE1 3.9Å; H424-Y443 AromaticContact NE2-CZ 3.78Å; H424-C448 VanDerWaalsContact C-CB 3.41Å; H424-C448 HydrophobicContact CB-CB 4.35Å; H424-C448 WeakPolarHBondContact CB-O 3.18Å; H424-C448 PolarHBondContact N-O 2.84Å; H424-C448 VanDerWaalsContact N-O 3.1Å; H424-C448 PolarHBondContact ND1-O 2.86Å; H424-C448 WeakPolarHBondContact O-CB 3.38Å
425	G	86.2	Confident	73.1	Confident	6 Å²	6	80.5 Å²	80.5	6%	0.062	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	164.6	178.6	0	0	0	0	0	114.3	C422 D438	C422-G425 VanDerWaalsContact CB-O 3.24Å; C422-G425 WeakPolarHBondContact CB-O 3.22Å; G425-D438 CarbonylContact C-O 3.51Å; G425-D438 WeakPolarHBondContact CA-O 3.4Å
426	M	84.5	Confident	73.7	Confident	93 Å²	93	84.5 Å²	84.5	46%	0.458	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.2	176.5	-168.6	175.1	72.6	0	0	110.3	T428 D438 Y440	M426-T428 HydrophobicContact CE-CG2 3.79Å; M426-T428 PolarHBondContact O-N 2.69Å; M426-D438 PolarHBondContact N-O 3.45Å; M426-D438 PolarHBondContact O-N 2.98Å; M426-Y440 HydrophobicContact CB-CE1 4.28Å
427	C	84.9	Confident	74.5	Confident	6 Å²	6	77.4 Å²	77.4	4%	0.041	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	125.5	171.7	-176.9	0	0	0	0	110.4	C415 Q418 K436	C415-C427 WeakPolarHBondContact CA-SG 3.3Å; C415-C427 HydrophobicContact CB-CB 3.61Å; C415-C427 WeakPolarHBondContact CB-SG 3.24Å; C415-C427 WeakPolarHBondContact SG-CB 3.41Å; C415-C427 PolarHBondContact SG-O 3.09Å; C415-C427 VanDerWaalsContact SG-O 3.41Å; C415-C427 CovalentContact SG-SG 2.05Å; C415-C427 PolarHBondContact SG-SG 3.26Å; Q418-C427 HydrophobicContact CG-CB 3.75Å; C427-K436 WeakPolarHBondContact CA-O 3.45Å
428	T	82.4	Confident	75.7	Confident	35 Å²	35	75 Å²	75	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.2	174.1	58	0	0	0	0	109.9	M426 K436 D438	M426-T428 HydrophobicContact CE-CG2 3.79Å; M426-T428 PolarHBondContact O-N 2.69Å; T428-K436 PolarHBondContact N-O 3.48Å; T428-K436 PolarHBondContact O-N 3.14Å; T428-K436 VanDerWaalsContact O-O 3.12Å; T428-D438 WeakPolarHBondContact CB-OD2 3.45Å; T428-D438 WeakPolarHBondContact CG2-OD2 3.47Å; T428-D438 PolarHBondContact OG1-OD2 2.97Å
429	R	73.2	Confident	77.3	Confident	101 Å²	101	73.1 Å²	73.1	38%	0.381	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.5	175.5	-176.2	177.6	-81.3	-176.9	-10.4	110.5	E411 I412 E414 K431	E411-R429 VanDerWaalsContact CD-CZ 3.45Å; E411-R429 VanDerWaalsContact CD-NH2 3.32Å; E411-R429 IonicContact OE1-CZ 3.8Å; E411-R429 IonicContact OE1-NE 3.83Å; E411-R429 IonicContact OE1-NH1 3.91Å; E411-R429 PolarHBondContact OE1-NH1 3.19Å; E411-R429 IonicContact OE1-NH2 3.4Å; E411-R429 PolarHBondContact OE1-NH2 3.07Å; E411-R429 IonicContact OE2-CZ 3.86Å; E411-R429 IonicContact OE2-NH1 2.81Å; E411-R429 PolarHBondContact OE2-NH1 2.8Å; E411-R429 IonicContact OE2-NH2 2.62Å; I412-R429 PolarHBondContact O-NH2 2.82Å; E414-R429 IonicContact OE2-CZ 2.62Å; E414-R429 IonicContact OE2-NE 3.66Å; E414-R429 PolarHBondContact OE2-NE 3.33Å; E414-R429 IonicContact OE2-NH2 2.69Å; E414-R429 PolarHBondContact OE2-NH2 3.07Å; R429-K431 VanDerWaalsContact CD-O 3.25Å; R429-K431 WeakPolarHBondContact CD-O 3.27Å; R429-K431 WeakPolarHBondContact CG-O 3.29Å
430	V	76.8	Confident	78.8	Confident	83 Å²	83	71 Å²	71	50%	0.503	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-44.1	177.9	-172.1	0	0	0	0	111	E434 K436	V430-E434 HydrophobicContact CB-CG 4.42Å; V430-E434 PolarHBondContact N-O 2.8Å; V430-K436 HydrophobicContact CG2-CB 3.59Å
431	K	70.1	Confident	80.1	Confident	127 Å²	127	68.6 Å²	68.6	55%	0.552	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.2	176.6	173.3	-56	-173.3	-156.2	80.7	0	109.9	R429 A433 E434	R429-K431 VanDerWaalsContact CD-O 3.25Å; R429-K431 WeakPolarHBondContact CD-O 3.27Å; R429-K431 WeakPolarHBondContact CG-O 3.29Å; K431-A433 PolarHBondContact O-N 3.4Å; K431-E434 HydrophobicContact CB-CB 4.08Å; K431-E434 VanDerWaalsContact CG-OE2 3.28Å; K431-E434 WeakPolarHBondContact CG-OE2 3.33Å; K431-E434 PolarHBondContact N-O 3.15Å; K431-E434 IonicContact NZ-OE1 2.71Å; K431-E434 PolarHBondContact NZ-OE1 3.02Å; K431-E434 IonicContact NZ-OE2 2.79Å; K431-E434 PolarHBondContact NZ-OE2 3.4Å; K431-E434 PolarHBondContact O-N 3.35Å
432	E	61.4	Low	80.8	Confident	143 Å²	143	66.4 Å²	66.4	67%	0.668	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	132.6	165	-65	167.3	152.2	0	0	109.8	E411 E434	E411-E432 WeakPolarHBondContact OE1-CA 3.42Å; E432-E434 PolarHBondContact O-N 3.13Å
433	A	62.5	Low	81.4	Confident	41 Å²	41	67.9 Å²	67.9	34%	0.339	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	11.5	-173.3	0	0	0	0	0	117.5	Q401 E411 E414 K431	Q401-A433 WeakPolarHBondContact O-CB 3.25Å; E411-A433 PolarHBondContact OE1-N 3.49Å; E414-A433 VanDerWaalsContact OE1-C 3.31Å; E414-A433 VanDerWaalsContact OE1-CA 3.32Å; E414-A433 WeakPolarHBondContact OE1-CA 3.41Å; K431-A433 PolarHBondContact O-N 3.4Å
434	E	71	Confident	81.7	Confident	83 Å²	83	66 Å²	66	39%	0.388	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	104.5	-176.4	-168.2	-170.9	-137.1	0	0	111.7	V430 K431 E432	V430-E434 HydrophobicContact CB-CG 4.42Å; V430-E434 PolarHBondContact N-O 2.8Å; K431-E434 HydrophobicContact CB-CB 4.08Å; K431-E434 VanDerWaalsContact CG-OE2 3.28Å; K431-E434 WeakPolarHBondContact CG-OE2 3.33Å; K431-E434 PolarHBondContact N-O 3.15Å; K431-E434 IonicContact NZ-OE1 2.71Å; K431-E434 PolarHBondContact NZ-OE1 3.02Å; K431-E434 IonicContact NZ-OE2 2.79Å; K431-E434 PolarHBondContact NZ-OE2 3.4Å; K431-E434 PolarHBondContact O-N 3.35Å; E432-E434 PolarHBondContact O-N 3.13Å
435	Y	75.9	Confident	81.8	Confident	54 Å²	54	64.8 Å²	64.8	21%	0.212	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	159.3	175.8	75	-84.9	0	0	0	112.7	E414 L421 R446	E414-Y435 HydrophobicContact CB-CD1 3.83Å; E414-Y435 HydrophobicContact CB-CG 4.01Å; E414-Y435 HydrophobicContact CG-CD1 3.82Å; E414-Y435 HydrophobicContact CG-CG 4.42Å; L421-Y435 HydrophobicContact CD2-CD1 4.34Å; L421-Y435 HydrophobicContact CD2-CD2 3.85Å; L421-Y435 HydrophobicContact CD2-CE1 4.07Å; L421-Y435 HydrophobicContact CD2-CE2 3.53Å; L421-Y435 HydrophobicContact CD2-CG 4.26Å; L421-Y435 HydrophobicContact CG-CE2 3.85Å; Y435-R446 PolarHBondContact OH-NH2 3.1Å
436	K	84.7	Confident	81.7	Confident	104 Å²	104	73.1 Å²	73.1	45%	0.452	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.8	172.5	-176.6	-160.9	174.8	-162.2	0	108.4	C427 T428 V430 D438	C427-K436 WeakPolarHBondContact CA-O 3.45Å; T428-K436 PolarHBondContact N-O 3.48Å; T428-K436 PolarHBondContact O-N 3.14Å; T428-K436 VanDerWaalsContact O-O 3.12Å; V430-K436 HydrophobicContact CG2-CB 3.59Å; K436-D438 WeakPolarHBondContact CE-OD1 3.41Å; K436-D438 IonicContact NZ-OD1 3.96Å; K436-D438 PolarHBondContact NZ-OD1 2.93Å
437	C	87.4	Confident	81.8	Confident	11 Å²	11	71.3 Å²	71.3	7%	0.074	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.7	161.2	-59.5	0	0	0	0	109	C422 C439 C448	C422-C437 HydrophobicContact CB-CB 3.79Å; C422-C437 WeakPolarHBondContact CB-SG 3.43Å; C422-C437 VanDerWaalsContact SG-CA 3.59Å; C422-C437 WeakPolarHBondContact SG-CB 3.4Å; C422-C437 CovalentContact SG-SG 2.04Å; C422-C437 PolarHBondContact SG-SG 3.3Å; C437-C439 PolarHBondContact O-N 2.77Å; C437-C448 WeakPolarHBondContact CB-SG 3.38Å
438	D	88.9	Confident	82.1	Confident	60 Å²	60	71 Å²	71	32%	0.321	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	98.9	165.3	-79.9	-57.8	0	0	0	108.1	G425 M426 T428 K436	G425-D438 CarbonylContact C-O 3.51Å; G425-D438 WeakPolarHBondContact CA-O 3.4Å; M426-D438 PolarHBondContact N-O 3.45Å; M426-D438 PolarHBondContact O-N 2.98Å; T428-D438 WeakPolarHBondContact CB-OD2 3.45Å; T428-D438 WeakPolarHBondContact CG2-OD2 3.47Å; T428-D438 PolarHBondContact OG1-OD2 2.97Å; K436-D438 WeakPolarHBondContact CE-OD1 3.41Å; K436-D438 IonicContact NZ-OD1 3.96Å; K436-D438 PolarHBondContact NZ-OD1 2.93Å
439	C	90.1	Very high	82.4	Confident	48 Å²	48	73.7 Å²	73.7	32%	0.324	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	145.3	-174.6	-55.3	0	0	0	0	112.9	C437 Y443 C448	C437-C439 PolarHBondContact O-N 2.77Å; C439-Y443 WeakPolarHBondContact CB-O 3.48Å; C439-C448 WeakPolarHBondContact CA-SG 3.07Å; C439-C448 HydrophobicContact CB-CB 3.74Å; C439-C448 WeakPolarHBondContact CB-SG 3.28Å; C439-C448 PolarHBondContact N-SG 3.37Å; C439-C448 VanDerWaalsContact SG-CA 3.51Å; C439-C448 WeakPolarHBondContact SG-CB 3.01Å; C439-C448 CovalentContact SG-SG 2.04Å; C439-C448 PolarHBondContact SG-SG 2.65Å
440	Y	89	Confident	83.1	Confident	132 Å²	132	74.1 Å²	74.1	52%	0.518	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-70.2	158.1	168	-55.7	-40.1	0	0	0	110.1	H424 M426 G442 Y443	H424-Y440 VanDerWaalsContact O-CD2 3.32Å; H424-Y440 WeakPolarHBondContact O-CD2 3.35Å; H424-Y440 PolarHBondContact O-N 3.22Å; M426-Y440 HydrophobicContact CB-CE1 4.28Å; Y440-G442 PolarHBondContact O-N 3.13Å; Y440-Y443 PolarHBondContact O-N 3.37Å
441	A	88.6	Confident	83.8	Confident	99 Å²	99	73 Å²	73	82%	0.818	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	139.8	175.3	0	0	0	0	0	110.4
442	G	88.7	Confident	84.8	Confident	7 Å²	7	70 Å²	70	7%	0.072	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-8	-172.8	0	0	0	0	0	115.2	Y440 I452	Y440-G442 PolarHBondContact O-N 3.13Å; G442-I452 WeakPolarHBondContact O-CB 3.37Å; G442-I452 PolarHBondContact O-N 3.45Å
443	Y	93	Very high	86.2	Confident	33 Å²	33	67 Å²	67	13%	0.129	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.8	-175.9	-61.6	-87.1	0	0	0	114.5	H424 C439 Y440 E450 N471 G472	H424-Y443 HydrophobicContact CB-CD1 3.58Å; H424-Y443 HydrophobicContact CB-CD2 3.43Å; H424-Y443 VanDerWaalsContact CB-CD2 3.43Å; H424-Y443 HydrophobicContact CB-CE1 3.84Å; H424-Y443 HydrophobicContact CB-CE2 3.71Å; H424-Y443 HydrophobicContact CB-CG 3.34Å; H424-Y443 AromaticContact CD2-CE1 3.63Å; H424-Y443 AromaticContact CD2-CE2 3.72Å; H424-Y443 AromaticContact CD2-CZ 3.29Å; H424-Y443 PolarHBondContact CD2-OH 3.34Å; H424-Y443 AromaticContact CE1-CE1 3.79Å; H424-Y443 AromaticContact CG-CD1 3.58Å; H424-Y443 AromaticContact CG-CD2 3.98Å; H424-Y443 AromaticContact CG-CE1 3.35Å; H424-Y443 AromaticContact CG-CE2 3.77Å; H424-Y443 AromaticContact CG-CG 3.87Å; H424-Y443 AromaticContact CG-CZ 3.44Å; H424-Y443 VanDerWaalsContact CG-CZ 3.44Å; H424-Y443 AromaticContact ND1-CD1 3.71Å; H424-Y443 AromaticContact ND1-CE1 3.45Å; H424-Y443 WeakPolarHBondContact ND1-CE1 3.46Å; H424-Y443 AromaticContact ND1-CZ 3.97Å; H424-Y443 AromaticContact NE2-CE1 3.9Å; H424-Y443 AromaticContact NE2-CZ 3.78Å; C439-Y443 WeakPolarHBondContact CB-O 3.48Å; Y440-Y443 PolarHBondContact O-N 3.37Å; Y443-E450 WeakPolarHBondContact CA-O 3.42Å; Y443-N471 PolarHBondContact OH-ND2 3.03Å; Y443-N471 PolarHBondContact OH-O 2.96Å; Y443-N471 VanDerWaalsContact OH-O 3.13Å; Y443-G472 WeakPolarHBondContact OH-CA 3.02Å; Y443-G472 PolarHBondContact OH-N 3.1Å
444	T	90.3	Very high	87.6	Confident	66 Å²	66	66.9 Å²	66.9	41%	0.405	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	-169.6	-178	-170.4	0	0	0	0	110.5	C448 D449 E450 I452	T444-C448 CarbonylContact O-C 3.3Å; T444-C448 VanDerWaalsContact O-CA 3.27Å; T444-C448 WeakPolarHBondContact O-CA 3.45Å; T444-D449 PolarHBondContact O-N 2.81Å; T444-E450 HydrophobicContact CG2-CB 3.71Å; T444-E450 PolarHBondContact N-O 2.84Å; T444-E450 PolarHBondContact O-N 2.9Å; T444-E450 VanDerWaalsContact O-N 3.14Å; T444-I452 HydrophobicContact CG2-CG1 3.78Å
445	G	88.3	Confident	88.5	Confident	29 Å²	29	64.4 Å²	64.4	30%	0.299	34%	0.336	S	S	.	.	S	Bend	trans	89.9	-177	-174.5	0	0	0	0	0	112.6	E450	G445-E450 WeakPolarHBondContact CA-OE2 3.19Å
446	R	85	Confident	89.1	Confident	180 Å²	180	67.3 Å²	67.3	68%	0.679	36%	0.36	S	S	*	.	S	Bend	trans	-74.7	-36.2	-179.6	174.9	-175.2	160.7	142.3	1.2	111.7	Y435	Y435-R446 PolarHBondContact OH-NH2 3.1Å
447	L	86.3	Confident	89.2	Confident	56 Å²	56	66.2 Å²	66.2	29%	0.293	36%	0.359	S	S	.	.	S	Bend	trans	-112.9	12	-170.8	-50	174.6	0	0	0	111.3	L421 C422 D423 D449	L421-L447 WeakPolarHBondContact O-CD2 3.25Å; C422-L447 CarbonylContact C-O 3.35Å; C422-L447 VanDerWaalsContact CA-O 3.3Å; C422-L447 WeakPolarHBondContact CA-O 3.27Å; D423-L447 PolarHBondContact N-O 2.86Å; L447-D449 WeakPolarHBondContact CA-OD1 3.32Å; L447-D449 HydrophobicContact CB-CB 4.24Å; L447-D449 WeakPolarHBondContact CB-OD1 3.32Å; L447-D449 PolarHBondContact N-OD1 2.85Å; L447-D449 PolarHBondContact O-N 2.92Å
448	C	90.3	Very high	89	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.393	C	S	.	.	S	Bend	trans	56.9	42.3	-172.2	-46.4	0	0	0	0	111.6	H424 C437 C439 T444	H424-C448 VanDerWaalsContact C-CB 3.41Å; H424-C448 HydrophobicContact CB-CB 4.35Å; H424-C448 WeakPolarHBondContact CB-O 3.18Å; H424-C448 PolarHBondContact N-O 2.84Å; H424-C448 VanDerWaalsContact N-O 3.1Å; H424-C448 PolarHBondContact ND1-O 2.86Å; H424-C448 WeakPolarHBondContact O-CB 3.38Å; C437-C448 WeakPolarHBondContact CB-SG 3.38Å; C439-C448 WeakPolarHBondContact CA-SG 3.07Å; C439-C448 HydrophobicContact CB-CB 3.74Å; C439-C448 WeakPolarHBondContact CB-SG 3.28Å; C439-C448 PolarHBondContact N-SG 3.37Å; C439-C448 VanDerWaalsContact SG-CA 3.51Å; C439-C448 WeakPolarHBondContact SG-CB 3.01Å; C439-C448 CovalentContact SG-SG 2.04Å; C439-C448 PolarHBondContact SG-SG 2.65Å; T444-C448 CarbonylContact O-C 3.3Å; T444-C448 VanDerWaalsContact O-CA 3.27Å; T444-C448 WeakPolarHBondContact O-CA 3.45Å
449	D	88.2	Confident	88.9	Confident	90 Å²	90	73.5 Å²	73.5	48%	0.481	41%	0.405	S	S	.	.			trans	-107.1	-8.5	-173.5	53.6	-43.4	0	0	0	112.7	T444 L447	T444-D449 PolarHBondContact O-N 2.81Å; L447-D449 WeakPolarHBondContact CA-OD1 3.32Å; L447-D449 HydrophobicContact CB-CB 4.24Å; L447-D449 WeakPolarHBondContact CB-OD1 3.32Å; L447-D449 PolarHBondContact N-OD1 2.85Å; L447-D449 PolarHBondContact O-N 2.92Å
450	E	89.7	Confident	88.8	Confident	111 Å²	111	72 Å²	72	52%	0.519	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.9	176.1	-62.6	179.8	156.1	0	0	110.8	Y443 T444 G445	Y443-E450 WeakPolarHBondContact CA-O 3.42Å; T444-E450 HydrophobicContact CG2-CB 3.71Å; T444-E450 PolarHBondContact N-O 2.84Å; T444-E450 PolarHBondContact O-N 2.9Å; T444-E450 VanDerWaalsContact O-N 3.14Å; G445-E450 WeakPolarHBondContact CA-OE2 3.19Å
451	D	91.4	Very high	88.9	Confident	60 Å²	60	65.9 Å²	65.9	32%	0.321	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.4	171	-175	37.2	0	0	0	110.2	N453 N469 N471 G472	D451-N453 PolarHBondContact O-N 2.04Å; D451-N469 PolarHBondContact OD2-ND2 3.5Å; D451-N471 VanDerWaalsContact OD1-CA 3.25Å; D451-N471 WeakPolarHBondContact OD1-CA 3.35Å; D451-N471 PolarHBondContact OD2-N 2.03Å; D451-G472 PolarHBondContact OD1-N 3.34Å
452	I	91.4	Very high	88.7	Confident	62 Å²	62	62.8 Å²	62.8	32%	0.318	35%	0.348	S	S	.	.			trans	-74.1	128.1	172.4	-64.8	177	0	0	0	108.2	G442 T444 E454 N469	G442-I452 WeakPolarHBondContact O-CB 3.37Å; G442-I452 PolarHBondContact O-N 3.45Å; T444-I452 HydrophobicContact CG2-CG1 3.78Å; I452-E454 HydrophobicContact CG2-CG 3.92Å; I452-E454 PolarHBondContact O-N 3.48Å; I452-N469 PolarHBondContact O-ND2 2.7Å
453	N	90	Very high	88.5	Confident	81 Å²	81	74.1 Å²	74.1	43%	0.433	39%	0.389	S	S	.	.			trans	-87.2	83	172.1	-172.7	-12.9	0	0	0	110.7	D451 C455 T456 N469	D451-N453 PolarHBondContact O-N 2.04Å; N453-C455 PolarHBondContact O-N 2.87Å; N453-C455 WeakPolarHBondContact OD1-CB 3.38Å; N453-C455 PolarHBondContact OD1-N 2.84Å; N453-T456 HydrophobicContact CB-CG2 4.14Å; N453-T456 WeakPolarHBondContact O-CB 3.43Å; N453-T456 WeakPolarHBondContact O-CG2 3.34Å; N453-T456 PolarHBondContact O-N 2.58Å; N453-T456 VanDerWaalsContact O-N 3.08Å; N453-T456 PolarHBondContact O-OG1 3.05Å; N453-N469 VanDerWaalsContact CA-OD1 3.26Å; N453-N469 WeakPolarHBondContact CA-OD1 3.46Å; N453-N469 PolarHBondContact OD1-OD1 2.65Å
454	E	91.1	Very high	88.2	Confident	38 Å²	38	74.3 Å²	74.3	18%	0.178	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-67.4	-19.2	-179.3	-52.7	94	164.2	0	0	112.7	I452 T456 D457 I460 N469 F474	I452-E454 HydrophobicContact CG2-CG 3.92Å; I452-E454 PolarHBondContact O-N 3.48Å; E454-T456 PolarHBondContact O-N 3.15Å; E454-D457 PolarHBondContact O-N 3.45Å; E454-I460 HydrophobicContact CB-CD1 3.46Å; E454-I460 VanDerWaalsContact CB-CD1 3.46Å; E454-I460 HydrophobicContact CG-CD1 4.4Å; E454-N469 PolarHBondContact N-OD1 2.87Å; E454-N469 VanDerWaalsContact N-OD1 3.15Å; E454-F474 HydrophobicContact CB-CB 4.32Å; E454-F474 HydrophobicContact CB-CD1 3.91Å; E454-F474 HydrophobicContact CB-CG 4.4Å; E454-F474 HydrophobicContact CG-CD1 4.13Å; E454-F474 PolarHBondContact OE2-N 3.21Å; E454-F474 VanDerWaalsContact OE2-N 3.15Å
455	C	90.8	Very high	88.2	Confident	32 Å²	32	72.2 Å²	72.2	22%	0.216	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-66.7	0.6	170.5	-56.5	0	0	0	0	114.3	N453 D457 C467 R468 N469	N453-C455 PolarHBondContact O-N 2.87Å; N453-C455 WeakPolarHBondContact OD1-CB 3.38Å; N453-C455 PolarHBondContact OD1-N 2.84Å; C455-D457 VanDerWaalsContact C-N 3.26Å; C455-C467 WeakPolarHBondContact CA-SG 3.38Å; C455-C467 HydrophobicContact CB-CB 3.64Å; C455-C467 WeakPolarHBondContact CB-SG 3.07Å; C455-C467 WeakPolarHBondContact SG-CB 3.26Å; C455-C467 CovalentContact SG-SG 2.04Å; C455-C467 PolarHBondContact SG-SG 3.27Å; C455-R468 VanDerWaalsContact SG-C 3.55Å; C455-R468 PolarHBondContact SG-N 3.19Å; C455-N469 PolarHBondContact SG-N 3.08Å
456	T	88.5	Confident	88.3	Confident	115 Å²	115	77.8 Å²	77.8	71%	0.706	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-70.3	-22.2	163.4	55.2	0	0	0	0	112.8	N453 E454	N453-T456 HydrophobicContact CB-CG2 4.14Å; N453-T456 WeakPolarHBondContact O-CB 3.43Å; N453-T456 WeakPolarHBondContact O-CG2 3.34Å; N453-T456 PolarHBondContact O-N 2.58Å; N453-T456 VanDerWaalsContact O-N 3.08Å; N453-T456 PolarHBondContact O-OG1 3.05Å; E454-T456 PolarHBondContact O-N 3.15Å
457	D	87.4	Confident	88.7	Confident	80 Å²	80	70.4 Å²	70.4	43%	0.428	38%	0.377	S	S	.	.	S	Bend	trans	-89.1	106.2	165.2	-171.2	-22.1	0	0	0	109.8	E454 C455 T459 I460	E454-D457 PolarHBondContact O-N 3.45Å; C455-D457 VanDerWaalsContact C-N 3.26Å; D457-T459 PolarHBondContact O-N 3.15Å; D457-T459 VanDerWaalsContact O-N 3.1Å; D457-T459 WeakPolarHBondContact OD1-CB 3.37Å; D457-T459 PolarHBondContact OD1-N 2.82Å; D457-T459 PolarHBondContact OD1-OG1 2.83Å; D457-T459 PolarHBondContact OD2-OG1 3.25Å; D457-I460 PolarHBondContact O-N 3.18Å
458	T	82.6	Confident	89	Confident	131 Å²	131	73.6 Å²	73.6	80%	0.804	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-5	-179.8	57.2	0	0	0	0	114.1
459	T	86.2	Confident	89	Confident	93 Å²	93	75.6 Å²	75.6	57%	0.571	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.3	177.5	71	0	0	0	0	113.4	D457 C461 G462	D457-T459 PolarHBondContact O-N 3.15Å; D457-T459 VanDerWaalsContact O-N 3.1Å; D457-T459 WeakPolarHBondContact OD1-CB 3.37Å; D457-T459 PolarHBondContact OD1-N 2.82Å; D457-T459 PolarHBondContact OD1-OG1 2.83Å; D457-T459 PolarHBondContact OD2-OG1 3.25Å; T459-C461 VanDerWaalsContact C-N 3.33Å; T459-C461 PolarHBondContact O-N 3.47Å; T459-G462 PolarHBondContact O-N 2.04Å
460	I	89.3	Confident	89.2	Confident	16 Å²	16	74 Å²	74	8%	0.082	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-30.1	-162.9	-147.7	169.3	0	0	0	114.3	E454 D457 C467 F474 R486	E454-I460 HydrophobicContact CB-CD1 3.46Å; E454-I460 VanDerWaalsContact CB-CD1 3.46Å; E454-I460 HydrophobicContact CG-CD1 4.4Å; D457-I460 PolarHBondContact O-N 3.18Å; I460-C467 HydrophobicContact CG2-CB 4.1Å; I460-C467 WeakPolarHBondContact CG2-SG 3.42Å; I460-F474 HydrophobicContact CD1-CD1 3.68Å; I460-F474 HydrophobicContact CD1-CD2 4.36Å; I460-F474 HydrophobicContact CD1-CE1 3.65Å; I460-F474 HydrophobicContact CD1-CE2 4.34Å; I460-F474 HydrophobicContact CD1-CG 4.07Å; I460-F474 HydrophobicContact CD1-CZ 4.01Å; I460-F474 HydrophobicContact CG1-CD1 4.48Å; I460-F474 HydrophobicContact CG1-CD2 4.45Å; I460-F474 HydrophobicContact CG1-CE1 4.17Å; I460-F474 HydrophobicContact CG1-CE2 4.13Å; I460-F474 HydrophobicContact CG1-CZ 4Å; I460-F474 HydrophobicContact CG2-CD2 4.21Å; I460-F474 HydrophobicContact CG2-CE2 4.5Å; I460-R486 WeakPolarHBondContact O-CB 3.33Å; I460-R486 WeakPolarHBondContact O-CG 3.36Å; I460-R486 PolarHBondContact O-NH1 3.1Å
461	C	89.6	Confident	89.2	Confident	4 Å²	4	73.9 Å²	73.9	3%	0.027	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	23.7	175.6	-58.5	0	0	0	0	113	T459 G465 C467 C476 R486	T459-C461 VanDerWaalsContact C-N 3.33Å; T459-C461 PolarHBondContact O-N 3.47Å; C461-G465 PolarHBondContact O-N 3.15Å; C461-C467 VanDerWaalsContact SG-CA 3.52Å; C461-C467 VanDerWaalsContact SG-CB 3.52Å; C461-C476 WeakPolarHBondContact CA-SG 3.17Å; C461-C476 HydrophobicContact CB-CB 3.72Å; C461-C476 WeakPolarHBondContact CB-SG 3.1Å; C461-C476 VanDerWaalsContact SG-CA 3.54Å; C461-C476 WeakPolarHBondContact SG-CB 3.03Å; C461-C476 CovalentContact SG-SG 2.03Å; C461-C476 PolarHBondContact SG-SG 2.63Å; C461-R486 CarbonylContact C-O 3.01Å; C461-R486 VanDerWaalsContact CA-O 3.3Å; C461-R486 WeakPolarHBondContact CA-O 3.49Å
462	G	85.5	Confident	89	Confident	34 Å²	34	72 Å²	72	35%	0.351	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	-143.8	-174.7	0	0	0	0	0	112.7	T459	T459-G462 PolarHBondContact O-N 2.04Å
463	W	83.9	Confident	89	Confident	245 Å²	245	71.5 Å²	71.5	93%	0.928	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-0.2	175.6	-70.2	45	0	0	0	112.1
464	N	86	Confident	89.1	Confident	38 Å²	38	69.4 Å²	69.4	20%	0.203	38%	0.377	C	S	.	.	S	Bend	trans	-112.5	17.1	-172.1	-54.2	-47.5	0	0	0	112.8	E479 F482 C487 R509	N464-E479 PolarHBondContact O-N 2.81Å; N464-F482 HydrophobicContact CB-CB 4.2Å; N464-F482 HydrophobicContact CB-CD1 3.98Å; N464-F482 HydrophobicContact CB-CD2 3.67Å; N464-F482 HydrophobicContact CB-CE1 4.35Å; N464-F482 HydrophobicContact CB-CE2 4.07Å; N464-F482 HydrophobicContact CB-CG 3.63Å; N464-F482 HydrophobicContact CB-CZ 4.4Å; N464-F482 WeakPolarHBondContact ND2-CD1 3.48Å; N464-F482 WeakPolarHBondContact ND2-CE1 3.44Å; N464-C487 HydrophobicContact CB-CB 4.27Å; N464-R509 PolarHBondContact OD1-NH2 3.16Å
465	G	90.2	Very high	89.1	Confident	22 Å²	22	72 Å²	72	23%	0.227	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	148.1	-177	0	0	0	0	0	114.3	C461 D477	C461-G465 PolarHBondContact O-N 3.15Å; G465-D477 WeakPolarHBondContact CA-O 3.02Å
466	H	91.6	Very high	89.3	Confident	145 Å²	145	70.9 Å²	70.9	67%	0.671	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	124.7	174.9	-166.5	-65.2	0	0	0	109.9	D477	H466-D477 PolarHBondContact N-O 2.03Å; H466-D477 PolarHBondContact O-N 2.8Å
467	C	93.2	Very high	89.5	Confident	25 Å²	25	68.5 Å²	68.5	17%	0.169	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	141	176.3	-167.9	0	0	0	0	111.7	C455 I460 C461	C455-C467 WeakPolarHBondContact CA-SG 3.38Å; C455-C467 HydrophobicContact CB-CB 3.64Å; C455-C467 WeakPolarHBondContact CB-SG 3.07Å; C455-C467 WeakPolarHBondContact SG-CB 3.26Å; C455-C467 CovalentContact SG-SG 2.04Å; C455-C467 PolarHBondContact SG-SG 3.27Å; I460-C467 HydrophobicContact CG2-CB 4.1Å; I460-C467 WeakPolarHBondContact CG2-SG 3.42Å; C461-C467 VanDerWaalsContact SG-CA 3.52Å; C461-C467 VanDerWaalsContact SG-CB 3.52Å
468	R	92.3	Very high	89.7	Confident	124 Å²	124	67 Å²	67	47%	0.468	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	117.7	175.2	-167.5	-165.1	75.4	167.9	3.7	110.7	C455 V470 K475	C455-R468 VanDerWaalsContact SG-C 3.55Å; C455-R468 PolarHBondContact SG-N 3.19Å; R468-V470 VanDerWaalsContact NH2-CG1 3.29Å; R468-K475 PolarHBondContact N-O 3.3Å; R468-K475 PolarHBondContact O-N 3.25Å
469	N	91	Very high	90	Very high	41 Å²	41	65.3 Å²	65.3	22%	0.219	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	145	179.2	-127.7	70.5	0	0	0	112.8	D451 I452 N453 E454 C455	D451-N469 PolarHBondContact OD2-ND2 3.5Å; I452-N469 PolarHBondContact O-ND2 2.7Å; N453-N469 VanDerWaalsContact CA-OD1 3.26Å; N453-N469 WeakPolarHBondContact CA-OD1 3.46Å; N453-N469 PolarHBondContact OD1-OD1 2.65Å; E454-N469 PolarHBondContact N-OD1 2.87Å; E454-N469 VanDerWaalsContact N-OD1 3.15Å; C455-N469 PolarHBondContact SG-N 3.08Å
470	V	91	Very high	90.1	Very high	56 Å²	56	64.7 Å²	64.7	34%	0.339	34%	0.34	S	S	.	.			trans	-152.5	86.5	-178.6	-82.5	0	0	0	0	111.7	R468 G472 S473 K475	R468-V470 VanDerWaalsContact NH2-CG1 3.29Å; V470-G472 PolarHBondContact O-N 3.42Å; V470-S473 CarbonylContact C-O 3.52Å; V470-S473 VanDerWaalsContact C-O 3.25Å; V470-S473 WeakPolarHBondContact CA-O 3.04Å; V470-S473 WeakPolarHBondContact CG2-O 3.43Å; V470-S473 PolarHBondContact N-O 3.2Å; V470-S473 PolarHBondContact O-N 2.9Å; V470-S473 VanDerWaalsContact O-N 3.15Å; V470-K475 HydrophobicContact CG2-CB 3.99Å
471	N	90.6	Very high	89.9	Confident	109 Å²	109	64.3 Å²	64.3	58%	0.583	34%	0.34	S	S	*	.	S	Bend	trans	18.8	86	168.3	-163.2	99.8	0	0	0	115.9	Y443 D451	Y443-N471 PolarHBondContact OH-ND2 3.03Å; Y443-N471 PolarHBondContact OH-O 2.96Å; Y443-N471 VanDerWaalsContact OH-O 3.13Å; D451-N471 VanDerWaalsContact OD1-CA 3.25Å; D451-N471 WeakPolarHBondContact OD1-CA 3.35Å; D451-N471 PolarHBondContact OD2-N 2.03Å
472	G	87.4	Confident	90	Very high	20 Å²	20	65.5 Å²	65.5	21%	0.206	35%	0.345	C	S	.	.	S	Bend	trans	96.5	5.8	-177.8	0	0	0	0	0	115	Y443 D451 V470	Y443-G472 WeakPolarHBondContact OH-CA 3.02Å; Y443-G472 PolarHBondContact OH-N 3.1Å; D451-G472 PolarHBondContact OD1-N 3.34Å; V470-G472 PolarHBondContact O-N 3.42Å
473	S	90.9	Very high	90.2	Very high	53 Å²	53	68.4 Å²	68.4	37%	0.371	35%	0.348	S	S	.	.	S	Bend	trans	-168.6	172.3	176.6	-170.2	0	0	0	0	111	V470	V470-S473 CarbonylContact C-O 3.52Å; V470-S473 VanDerWaalsContact C-O 3.25Å; V470-S473 WeakPolarHBondContact CA-O 3.04Å; V470-S473 WeakPolarHBondContact CG2-O 3.43Å; V470-S473 PolarHBondContact N-O 3.2Å; V470-S473 PolarHBondContact O-N 2.9Å; V470-S473 VanDerWaalsContact O-N 3.15Å
474	F	91.5	Very high	90.4	Very high	37 Å²	37	58.1 Å²	58.1	16%	0.162	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	164.9	157.9	64.6	-78.5	0	0	0	110.9	E454 I460 R486	E454-F474 HydrophobicContact CB-CB 4.32Å; E454-F474 HydrophobicContact CB-CD1 3.91Å; E454-F474 HydrophobicContact CB-CG 4.4Å; E454-F474 HydrophobicContact CG-CD1 4.13Å; E454-F474 PolarHBondContact OE2-N 3.21Å; E454-F474 VanDerWaalsContact OE2-N 3.15Å; I460-F474 HydrophobicContact CD1-CD1 3.68Å; I460-F474 HydrophobicContact CD1-CD2 4.36Å; I460-F474 HydrophobicContact CD1-CE1 3.65Å; I460-F474 HydrophobicContact CD1-CE2 4.34Å; I460-F474 HydrophobicContact CD1-CG 4.07Å; I460-F474 HydrophobicContact CD1-CZ 4.01Å; I460-F474 HydrophobicContact CG1-CD1 4.48Å; I460-F474 HydrophobicContact CG1-CD2 4.45Å; I460-F474 HydrophobicContact CG1-CE1 4.17Å; I460-F474 HydrophobicContact CG1-CE2 4.13Å; I460-F474 HydrophobicContact CG1-CZ 4Å; I460-F474 HydrophobicContact CG2-CD2 4.21Å; I460-F474 HydrophobicContact CG2-CE2 4.5Å; F474-R486 HydrophobicContact CE2-CG 4.24Å; F474-R486 HydrophobicContact CZ-CG 4.37Å
475	K	92.1	Very high	90.5	Very high	93 Å²	93	63.2 Å²	63.2	40%	0.404	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.1	161.1	-178.4	-176.1	-179	-62.9	0	108.7	R468 V470 D477	R468-K475 PolarHBondContact N-O 3.3Å; R468-K475 PolarHBondContact O-N 3.25Å; V470-K475 HydrophobicContact CG2-CB 3.99Å; K475-D477 IonicContact NZ-OD1 3.65Å; K475-D477 PolarHBondContact NZ-OD1 3.37Å
476	C	94	Very high	90.5	Very high	8 Å²	8	67 Å²	67	5%	0.054	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.9	167.8	-57.6	0	0	0	0	110.6	C461 D485 C487	C461-C476 WeakPolarHBondContact CA-SG 3.17Å; C461-C476 HydrophobicContact CB-CB 3.72Å; C461-C476 WeakPolarHBondContact CB-SG 3.1Å; C461-C476 VanDerWaalsContact SG-CA 3.54Å; C461-C476 WeakPolarHBondContact SG-CB 3.03Å; C461-C476 CovalentContact SG-SG 2.03Å; C461-C476 PolarHBondContact SG-SG 2.63Å; C476-D485 PolarHBondContact SG-O 3.45Å; C476-D485 VanDerWaalsContact SG-O 3.38Å; C476-C487 VanDerWaalsContact CB-SG 3.57Å
477	D	92.5	Very high	90.4	Very high	64 Å²	64	60.2 Å²	60.2	34%	0.342	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	100.7	168.1	-69	-39.5	0	0	0	106.8	G465 H466 K475	G465-D477 WeakPolarHBondContact CA-O 3.02Å; H466-D477 PolarHBondContact N-O 2.03Å; H466-D477 PolarHBondContact O-N 2.8Å; K475-D477 IonicContact NZ-OD1 3.65Å; K475-D477 PolarHBondContact NZ-OD1 3.37Å
478	C	92.1	Very high	90.2	Very high	49 Å²	49	64.2 Å²	64.2	33%	0.331	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	153	-170.6	-53	0	0	0	0	113.6	F482 C487	C478-F482 HydrophobicContact CB-CB 4.29Å; C478-F482 WeakPolarHBondContact CB-O 3.3Å; C478-C487 WeakPolarHBondContact CA-SG 3.39Å; C478-C487 HydrophobicContact CB-CB 3.81Å; C478-C487 WeakPolarHBondContact CB-SG 3.46Å; C478-C487 VanDerWaalsContact SG-CA 3.54Å; C478-C487 WeakPolarHBondContact SG-CB 3.38Å; C478-C487 CovalentContact SG-SG 2.03Å; C478-C487 PolarHBondContact SG-SG 3.31Å
479	E	89	Confident	90	Very high	96 Å²	96	63.2 Å²	63.2	45%	0.449	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-65.2	154.3	160.8	-66.1	-167.2	163.5	0	0	110.4	N464 F482 R509	N464-E479 PolarHBondContact O-N 2.81Å; E479-F482 PolarHBondContact O-N 3.38Å; E479-R509 IonicContact OE2-CZ 2.85Å; E479-R509 VanDerWaalsContact OE2-CZ 3.22Å; E479-R509 IonicContact OE2-NH1 2.68Å; E479-R509 PolarHBondContact OE2-NH1 2.74Å; E479-R509 IonicContact OE2-NH2 2.79Å; E479-R509 PolarHBondContact OE2-NH2 3.5Å
480	S	88.4	Confident	89.9	Confident	80 Å²	80	65.4 Å²	65.4	56%	0.559	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	145.7	171	-43	0	0	0	0	111	D510	S480-D510 WeakPolarHBondContact CB-OD1 3.32Å; S480-D510 WeakPolarHBondContact CB-OD2 3.06Å
481	G	86.2	Confident	89.7	Confident	7 Å²	7	65.1 Å²	65.1	7%	0.072	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-10	-169.5	0	0	0	0	0	115.8	T491 D510	G481-T491 VanDerWaalsContact C-OG1 3.24Å; G481-T491 WeakPolarHBondContact O-CB 3.15Å; G481-T491 PolarHBondContact O-N 2.88Å; G481-T491 PolarHBondContact O-OG1 3.19Å; G481-D510 PolarHBondContact N-OD1 3.39Å
482	F	90.6	Very high	89.6	Confident	30 Å²	30	64 Å²	64	13%	0.132	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.6	-177.3	-63	-86.4	0	0	0	114.9	N464 C478 E479 C487 E489 E490 R509	N464-F482 HydrophobicContact CB-CB 4.2Å; N464-F482 HydrophobicContact CB-CD1 3.98Å; N464-F482 HydrophobicContact CB-CD2 3.67Å; N464-F482 HydrophobicContact CB-CE1 4.35Å; N464-F482 HydrophobicContact CB-CE2 4.07Å; N464-F482 HydrophobicContact CB-CG 3.63Å; N464-F482 HydrophobicContact CB-CZ 4.4Å; N464-F482 WeakPolarHBondContact ND2-CD1 3.48Å; N464-F482 WeakPolarHBondContact ND2-CE1 3.44Å; C478-F482 HydrophobicContact CB-CB 4.29Å; C478-F482 WeakPolarHBondContact CB-O 3.3Å; E479-F482 PolarHBondContact O-N 3.38Å; F482-C487 HydrophobicContact CB-CB 4.31Å; F482-E489 WeakPolarHBondContact CA-O 3.37Å; F482-E490 HydrophobicContact CD1-CB 4.19Å; F482-E490 HydrophobicContact CE1-CB 3.88Å; F482-E490 HydrophobicContact CE1-CG 4.03Å; F482-E490 HydrophobicContact CZ-CG 4.35Å; F482-R509 HydrophobicContact CE2-CG 3.61Å; F482-R509 VanDerWaalsContact CE2-CZ 3.48Å; F482-R509 VanDerWaalsContact CE2-NE 3.31Å; F482-R509 HydrophobicContact CZ-CG 3.82Å
483	F	89	Confident	89.7	Confident	95 Å²	95	64.6 Å²	64.6	42%	0.417	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	-172.9	174.6	76.1	-83.1	0	0	0	111.8	C487 E488 E489 E490	F483-C487 CarbonylContact O-C 3.3Å; F483-C487 VanDerWaalsContact O-CA 3.29Å; F483-C487 WeakPolarHBondContact O-CA 3.41Å; F483-E488 PolarHBondContact O-N 3.48Å; F483-E489 HydrophobicContact CD1-CB 4.04Å; F483-E489 HydrophobicContact CD2-CB 4.15Å; F483-E489 HydrophobicContact CE1-CB 3.72Å; F483-E489 HydrophobicContact CE2-CB 3.82Å; F483-E489 HydrophobicContact CE2-CG 4.35Å; F483-E489 VanDerWaalsContact CE2-OE2 3.28Å; F483-E489 WeakPolarHBondContact CE2-OE2 3.3Å; F483-E489 HydrophobicContact CG-CB 4.25Å; F483-E489 HydrophobicContact CZ-CB 3.59Å; F483-E489 HydrophobicContact CZ-CG 4.37Å; F483-E489 VanDerWaalsContact CZ-OE2 3.23Å; F483-E489 WeakPolarHBondContact CZ-OE2 3Å; F483-E489 PolarHBondContact N-O 2.87Å; F483-E489 PolarHBondContact O-N 3.04Å; F483-E489 VanDerWaalsContact O-N 3.1Å; F483-E490 WeakPolarHBondContact CE1-O 3.3Å
484	G	89.1	Confident	89.6	Confident	29 Å²	29	63 Å²	63	30%	0.299	33%	0.326	S	S	.	.	S	Bend	trans	94.5	164.3	-169.1	0	0	0	0	0	112	R486 C487 E488	G484-R486 PolarHBondContact O-N 3.25Å; G484-C487 PolarHBondContact O-N 3.28Å; G484-E488 VanDerWaalsContact C-OE2 3.31Å; G484-E488 WeakPolarHBondContact CA-OE2 3.46Å
485	D	87.3	Confident	89.5	Confident	144 Å²	144	68.9 Å²	68.9	77%	0.77	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-16.9	-177.5	-74.2	-32.6	0	0	0	112.6	C476 E488	C476-D485 PolarHBondContact SG-O 3.45Å; C476-D485 VanDerWaalsContact SG-O 3.38Å; D485-E488 PolarHBondContact N-OE2 2.64Å
486	R	90.2	Very high	89.3	Confident	103 Å²	103	68.8 Å²	68.8	39%	0.389	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	13.5	-178.6	-59.6	168.4	161.6	-88.7	-2.2	113.2	I460 C461 F474 G484 E488	I460-R486 WeakPolarHBondContact O-CB 3.33Å; I460-R486 WeakPolarHBondContact O-CG 3.36Å; I460-R486 PolarHBondContact O-NH1 3.1Å; C461-R486 CarbonylContact C-O 3.01Å; C461-R486 VanDerWaalsContact CA-O 3.3Å; C461-R486 WeakPolarHBondContact CA-O 3.49Å; F474-R486 HydrophobicContact CE2-CG 4.24Å; F474-R486 HydrophobicContact CZ-CG 4.37Å; G484-R486 PolarHBondContact O-N 3.25Å; R486-E488 VanDerWaalsContact C-OE2 3.3Å; R486-E488 VanDerWaalsContact CA-OE2 3.3Å; R486-E488 WeakPolarHBondContact CA-OE2 3.41Å; R486-E488 WeakPolarHBondContact CB-OE1 3.28Å; R486-E488 WeakPolarHBondContact CB-OE2 3.29Å; R486-E488 PolarHBondContact N-OE2 2.85Å; R486-E488 PolarHBondContact O-N 2.88Å
487	C	91	Very high	88.9	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.007	40%	0.396	C	S	.	.	S	Bend	trans	57.7	35	-174.9	-44	0	0	0	0	112.5	N464 C476 C478 F482 F483 G484	N464-C487 HydrophobicContact CB-CB 4.27Å; C476-C487 VanDerWaalsContact CB-SG 3.57Å; C478-C487 WeakPolarHBondContact CA-SG 3.39Å; C478-C487 HydrophobicContact CB-CB 3.81Å; C478-C487 WeakPolarHBondContact CB-SG 3.46Å; C478-C487 VanDerWaalsContact SG-CA 3.54Å; C478-C487 WeakPolarHBondContact SG-CB 3.38Å; C478-C487 CovalentContact SG-SG 2.03Å; C478-C487 PolarHBondContact SG-SG 3.31Å; F482-C487 HydrophobicContact CB-CB 4.31Å; F483-C487 CarbonylContact O-C 3.3Å; F483-C487 VanDerWaalsContact O-CA 3.29Å; F483-C487 WeakPolarHBondContact O-CA 3.41Å; G484-C487 PolarHBondContact O-N 3.28Å
488	E	88.1	Confident	88.8	Confident	109 Å²	109	72.3 Å²	72.3	51%	0.509	38%	0.384	S	S	.	.			trans	-91	-17.5	-176.2	69.3	-88.8	-111.7	0	0	114	F483 G484 D485 R486	F483-E488 PolarHBondContact O-N 3.48Å; G484-E488 VanDerWaalsContact C-OE2 3.31Å; G484-E488 WeakPolarHBondContact CA-OE2 3.46Å; D485-E488 PolarHBondContact N-OE2 2.64Å; R486-E488 VanDerWaalsContact C-OE2 3.3Å; R486-E488 VanDerWaalsContact CA-OE2 3.3Å; R486-E488 WeakPolarHBondContact CA-OE2 3.41Å; R486-E488 WeakPolarHBondContact CB-OE1 3.28Å; R486-E488 WeakPolarHBondContact CB-OE2 3.29Å; R486-E488 PolarHBondContact N-OE2 2.85Å; R486-E488 PolarHBondContact O-N 2.88Å
489	E	88.2	Confident	88.7	Confident	104 Å²	104	70.7 Å²	70.7	49%	0.486	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.3	176.5	-59.3	-171.3	-145.8	0	0	110.1	F482 F483	F482-E489 WeakPolarHBondContact CA-O 3.37Å; F483-E489 HydrophobicContact CD1-CB 4.04Å; F483-E489 HydrophobicContact CD2-CB 4.15Å; F483-E489 HydrophobicContact CE1-CB 3.72Å; F483-E489 HydrophobicContact CE2-CB 3.82Å; F483-E489 HydrophobicContact CE2-CG 4.35Å; F483-E489 VanDerWaalsContact CE2-OE2 3.28Å; F483-E489 WeakPolarHBondContact CE2-OE2 3.3Å; F483-E489 HydrophobicContact CG-CB 4.25Å; F483-E489 HydrophobicContact CZ-CB 3.59Å; F483-E489 HydrophobicContact CZ-CG 4.37Å; F483-E489 VanDerWaalsContact CZ-OE2 3.23Å; F483-E489 WeakPolarHBondContact CZ-OE2 3Å; F483-E489 PolarHBondContact N-O 2.87Å; F483-E489 PolarHBondContact O-N 3.04Å; F483-E489 VanDerWaalsContact O-N 3.1Å
490	E	88	Confident	88.4	Confident	87 Å²	87	70.5 Å²	70.5	41%	0.407	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	144.7	170.6	-172.8	-178.9	-145	0	0	109.3	F482 F483 D492 R509	F482-E490 HydrophobicContact CD1-CB 4.19Å; F482-E490 HydrophobicContact CE1-CB 3.88Å; F482-E490 HydrophobicContact CE1-CG 4.03Å; F482-E490 HydrophobicContact CZ-CG 4.35Å; F483-E490 WeakPolarHBondContact CE1-O 3.3Å; E490-D492 PolarHBondContact O-N 2.71Å; E490-R509 WeakPolarHBondContact OE1-CA 3.25Å; E490-R509 PolarHBondContact OE1-N 3.36Å
491	T	87.6	Confident	87.6	Confident	49 Å²	49	72.4 Å²	72.4	30%	0.301	38%	0.376	S	S	.	.			trans	-81	108.3	-177.1	-47.9	0	0	0	0	110	G481 E493	G481-T491 VanDerWaalsContact C-OG1 3.24Å; G481-T491 WeakPolarHBondContact O-CB 3.15Å; G481-T491 PolarHBondContact O-N 2.88Å; G481-T491 PolarHBondContact O-OG1 3.19Å; T491-E493 HydrophobicContact CG2-CG 4.25Å; T491-E493 PolarHBondContact O-N 3.1Å
492	D	88.5	Confident	86.8	Confident	87 Å²	87	73 Å²	73	47%	0.465	38%	0.382	S	S	.	.			trans	-66.6	94.5	169.3	-177.9	-21.6	0	0	0	109.2	E490 C494 E495	E490-D492 PolarHBondContact O-N 2.71Å; D492-C494 PolarHBondContact O-N 2.83Å; D492-C494 VanDerWaalsContact OD1-C 3.31Å; D492-C494 VanDerWaalsContact OD1-CA 3.25Å; D492-C494 WeakPolarHBondContact OD1-CA 3.22Å; D492-C494 WeakPolarHBondContact OD1-CB 3.48Å; D492-C494 PolarHBondContact OD1-N 3.16Å; D492-E495 HydrophobicContact CB-CB 4.47Å; D492-E495 WeakPolarHBondContact O-CB 3.39Å; D492-E495 PolarHBondContact O-N 2.79Å; D492-E495 PolarHBondContact OD1-N 2.93Å
493	E	89.6	Confident	86.2	Confident	32 Å²	32	72.4 Å²	72.4	15%	0.15	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-75.6	-16.5	-178.6	-70.2	148.8	-156.5	0	0	111.4	T491 E495 S496 D507 D510 A511 Y512	T491-E493 HydrophobicContact CG2-CG 4.25Å; T491-E493 PolarHBondContact O-N 3.1Å; E493-E495 VanDerWaalsContact C-N 3.32Å; E493-S496 WeakPolarHBondContact O-CB 3.37Å; E493-S496 PolarHBondContact O-N 3.3Å; E493-S496 PolarHBondContact O-OG 3.02Å; E493-D507 PolarHBondContact N-OD1 3.18Å; E493-D510 WeakPolarHBondContact OE1-CA 3.35Å; E493-D510 PolarHBondContact OE1-N 2.66Å; E493-A511 VanDerWaalsContact OE2-CA 3.3Å; E493-A511 WeakPolarHBondContact OE2-CA 3.23Å; E493-A511 PolarHBondContact OE2-N 3.21Å; E493-Y512 HydrophobicContact CB-CD1 3.81Å; E493-Y512 HydrophobicContact CB-CG 4.48Å; E493-Y512 PolarHBondContact OE2-N 3.38Å; E493-Y512 VanDerWaalsContact OE2-N 3.16Å
494	C	89.7	Confident	86.1	Confident	20 Å²	20	75.7 Å²	75.7	14%	0.135	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-72.7	-19.7	170.7	-68.6	0	0	0	0	113.2	D492 S496 N497 C505	D492-C494 PolarHBondContact O-N 2.83Å; D492-C494 VanDerWaalsContact OD1-C 3.31Å; D492-C494 VanDerWaalsContact OD1-CA 3.25Å; D492-C494 WeakPolarHBondContact OD1-CA 3.22Å; D492-C494 WeakPolarHBondContact OD1-CB 3.48Å; D492-C494 PolarHBondContact OD1-N 3.16Å; C494-S496 PolarHBondContact O-N 2.92Å; C494-N497 WeakPolarHBondContact O-CA 3.38Å; C494-N497 PolarHBondContact O-N 3.38Å; C494-C505 WeakPolarHBondContact CA-SG 3.23Å; C494-C505 HydrophobicContact CB-CB 3.63Å; C494-C505 WeakPolarHBondContact CB-SG 3.42Å; C494-C505 VanDerWaalsContact SG-C 3.52Å; C494-C505 WeakPolarHBondContact SG-CB 3.45Å; C494-C505 CovalentContact SG-SG 2.03Å; C494-C505 PolarHBondContact SG-SG 3.07Å
495	E	88.2	Confident	86.1	Confident	160 Å²	160	76 Å²	76	75%	0.748	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-57.8	-33.2	170.5	-165.7	-174.8	-140.8	0	0	111	D492 E493 N497	D492-E495 HydrophobicContact CB-CB 4.47Å; D492-E495 WeakPolarHBondContact O-CB 3.39Å; D492-E495 PolarHBondContact O-N 2.79Å; D492-E495 PolarHBondContact OD1-N 2.93Å; E493-E495 VanDerWaalsContact C-N 3.32Å; E495-N497 PolarHBondContact O-N 2.8Å; E495-N497 PolarHBondContact O-ND2 2.83Å
496	S	87.6	Confident	86.1	Confident	90 Å²	90	73.6 Å²	73.6	63%	0.629	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-65.7	-8.3	174.2	79.1	0	0	0	0	114.5	E493 C494	E493-S496 WeakPolarHBondContact O-CB 3.37Å; E493-S496 PolarHBondContact O-N 3.3Å; E493-S496 PolarHBondContact O-OG 3.02Å; C494-S496 PolarHBondContact O-N 2.92Å
497	N	86.8	Confident	85.8	Confident	133 Å²	133	72 Å²	72	71%	0.711	38%	0.378	S	S	*	.			trans	52.6	55.3	-176.7	-76.4	-104.9	0	0	0	113.6	C494 E495 C499	C494-N497 WeakPolarHBondContact O-CA 3.38Å; C494-N497 PolarHBondContact O-N 3.38Å; E495-N497 PolarHBondContact O-N 2.8Å; E495-N497 PolarHBondContact O-ND2 2.83Å; N497-C499 VanDerWaalsContact C-N 3.29Å; N497-C499 PolarHBondContact O-N 3.25Å
498	P	89.2	Confident	85.4	Confident	14 Å²	14	73 Å²	73	9%	0.091	39%	0.389	C	S	.	.			trans	-71	-17.9	-169.4	29.1	-35	0	0	0	114.4	T500 Y512 H524	P498-T500 WeakPolarHBondContact O-CG2 3.42Å; P498-T500 PolarHBondContact O-N 2.84Å; P498-Y512 HydrophobicContact CB-CD2 4.05Å; P498-Y512 HydrophobicContact CB-CE1 4.07Å; P498-Y512 HydrophobicContact CB-CE2 3.43Å; P498-Y512 VanDerWaalsContact CB-CE2 3.43Å; P498-Y512 VanDerWaalsContact CB-CZ 3.42Å; P498-Y512 HydrophobicContact CG-CD1 4.19Å; P498-Y512 HydrophobicContact CG-CD2 3.52Å; P498-Y512 HydrophobicContact CG-CE1 4.12Å; P498-Y512 HydrophobicContact CG-CE2 3.47Å; P498-Y512 VanDerWaalsContact CG-CE2 3.47Å; P498-Y512 HydrophobicContact CG-CG 3.88Å; P498-H524 WeakPolarHBondContact O-CB 2.99Å
499	C	90.1	Very high	85.1	Confident	14 Å²	14	73.8 Å²	73.8	10%	0.095	39%	0.387	C	S	.	.			trans	-80.5	64.5	-176.4	-46.9	0	0	0	0	112.7	N497 K501 G502 C505 C514 H524	N497-C499 VanDerWaalsContact C-N 3.29Å; N497-C499 PolarHBondContact O-N 3.25Å; C499-K501 VanDerWaalsContact C-N 3.27Å; C499-K501 PolarHBondContact O-N 2.83Å; C499-G502 PolarHBondContact O-N 3.04Å; C499-C505 VanDerWaalsContact SG-CB 3.55Å; C499-C514 WeakPolarHBondContact CA-SG 3.31Å; C499-C514 HydrophobicContact CB-CB 3.91Å; C499-C514 WeakPolarHBondContact CB-SG 3.47Å; C499-C514 VanDerWaalsContact SG-CA 3.55Å; C499-C514 WeakPolarHBondContact SG-CB 3.24Å; C499-C514 CovalentContact SG-SG 2.04Å; C499-C514 PolarHBondContact SG-SG 2.88Å; C499-H524 CarbonylContact C-O 3.57Å; C499-H524 VanDerWaalsContact C-O 3.31Å
500	T	82.5	Confident	84.9	Confident	92 Å²	92	73.3 Å²	73.3	56%	0.564	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.7	-29	-163.8	61.7	0	0	0	0	119.6	P498 H524	P498-T500 WeakPolarHBondContact O-CG2 3.42Å; P498-T500 PolarHBondContact O-N 2.84Å; T500-H524 HydrophobicContact CG2-CB 4.29Å; T500-H524 PolarHBondContact N-O 2.97Å; T500-H524 PolarHBondContact OG1-O 3.22Å
501	K	71.8	Confident	84.7	Confident	121 Å²	121	72.1 Å²	72.1	53%	0.526	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	9.5	-177.1	-64.4	-179.8	-177.3	168.9	0	114.7	C499 Y520 E526	C499-K501 VanDerWaalsContact C-N 3.27Å; C499-K501 PolarHBondContact O-N 2.83Å; K501-Y520 HydrophobicContact CB-CD1 4.24Å; K501-Y520 HydrophobicContact CB-CE1 4.04Å; K501-Y520 HydrophobicContact CD-CD1 4.42Å; K501-Y520 HydrophobicContact CD-CE1 4.02Å; K501-E526 WeakPolarHBondContact CE-O 3.4Å; K501-E526 PolarHBondContact NZ-O 3.36Å
502	G	69.3	Low	84.8	Confident	18 Å²	18	73 Å²	73	19%	0.186	39%	0.392	C	S	.	.	S	Bend	trans	110.4	115.6	178.9	0	0	0	0	0	112.6	C499 F517	C499-G502 PolarHBondContact O-N 3.04Å; G502-F517 VanDerWaalsContact CA-CE2 3.47Å; G502-F517 WeakPolarHBondContact O-CD2 3.02Å; G502-F517 WeakPolarHBondContact O-CG 3.41Å; G502-F517 PolarHBondContact O-N 2.97Å; G502-F517 VanDerWaalsContact O-N 3.17Å
503	G	79.3	Confident	84.8	Confident	18 Å²	18	73.1 Å²	73.1	19%	0.186	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	165.1	172.2	0	0	0	0	0	108.4	I515	G503-I515 CarbonylContact C-O 3.57Å; G503-I515 WeakPolarHBondContact CA-O 3.19Å
504	Y	85.9	Confident	84.7	Confident	164 Å²	164	72.4 Å²	72.4	64%	0.643	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	115.7	165	-69.2	-77.7	0	0	0	108.1	I515 F517	Y504-I515 PolarHBondContact N-O 2.89Å; Y504-I515 PolarHBondContact O-N 2.97Å; Y504-F517 AromaticContact CD2-CE1 3.85Å; Y504-F517 HydrophobicContact CD2-CE1 3.85Å; Y504-F517 AromaticContact CE2-CE1 3.77Å; Y504-F517 HydrophobicContact CE2-CE1 3.77Å
505	C	89.6	Confident	84.4	Confident	37 Å²	37	75.8 Å²	75.8	25%	0.25	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.3	168	-164.9	0	0	0	0	108.6	C494 C499	C494-C505 WeakPolarHBondContact CA-SG 3.23Å; C494-C505 HydrophobicContact CB-CB 3.63Å; C494-C505 WeakPolarHBondContact CB-SG 3.42Å; C494-C505 VanDerWaalsContact SG-C 3.52Å; C494-C505 WeakPolarHBondContact SG-CB 3.45Å; C494-C505 CovalentContact SG-SG 2.03Å; C494-C505 PolarHBondContact SG-SG 3.07Å; C499-C505 VanDerWaalsContact SG-CB 3.55Å
506	L	86.6	Confident	84.2	Confident	93 Å²	93	69.9 Å²	69.9	49%	0.487	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.2	166.1	-65.4	-175.2	0	0	0	108.2	Y512 V513 I515	L506-Y512 CarbonylContact O-C 3.35Å; L506-Y512 VanDerWaalsContact O-CA 3.31Å; L506-Y512 WeakPolarHBondContact O-CA 3.41Å; L506-V513 PolarHBondContact N-O 2.72Å; L506-V513 PolarHBondContact O-N 2.03Å; L506-I515 HydrophobicContact CD1-CD1 3.57Å; L506-I515 HydrophobicContact CD1-CG1 4.31Å; L506-I515 HydrophobicContact CG-CD1 4.06Å
507	D	84.5	Confident	83.5	Confident	69 Å²	69	70.3 Å²	70.3	37%	0.369	38%	0.376	S	S	.	.			trans	-87.3	163.4	-176.3	-171.8	45.4	0	0	0	112.2	E493	E493-D507 PolarHBondContact N-OD1 3.18Å
508	G	82.8	Confident	82.7	Confident	23 Å²	23	70 Å²	70	24%	0.237	37%	0.374	C	S	.	.			trans	163.3	154.5	172.1	0	0	0	0	0	114.7	D510 A511	G508-D510 PolarHBondContact O-N 3.25Å; G508-A511 CarbonylContact O-C 3.18Å; G508-A511 VanDerWaalsContact O-C 3.22Å; G508-A511 PolarHBondContact O-N 2.96Å
509	R	82.1	Confident	82	Confident	124 Å²	124	69.7 Å²	69.7	47%	0.468	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-25.8	94.5	-176.5	-157.6	-175.1	-151	-93.9	4.1	117.2	N464 E479 F482 E490 A511	N464-R509 PolarHBondContact OD1-NH2 3.16Å; E479-R509 IonicContact OE2-CZ 2.85Å; E479-R509 VanDerWaalsContact OE2-CZ 3.22Å; E479-R509 IonicContact OE2-NH1 2.68Å; E479-R509 PolarHBondContact OE2-NH1 2.74Å; E479-R509 IonicContact OE2-NH2 2.79Å; E479-R509 PolarHBondContact OE2-NH2 3.5Å; F482-R509 HydrophobicContact CE2-CG 3.61Å; F482-R509 VanDerWaalsContact CE2-CZ 3.48Å; F482-R509 VanDerWaalsContact CE2-NE 3.31Å; F482-R509 HydrophobicContact CZ-CG 3.82Å; E490-R509 WeakPolarHBondContact OE1-CA 3.25Å; E490-R509 PolarHBondContact OE1-N 3.36Å; R509-A511 PolarHBondContact O-N 2.86Å
510	D	82.2	Confident	81.6	Confident	94 Å²	94	73 Å²	73	50%	0.503	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	16.9	176.9	-155.3	49.3	0	0	0	113.9	S480 G481 E493 G508	S480-D510 WeakPolarHBondContact CB-OD1 3.32Å; S480-D510 WeakPolarHBondContact CB-OD2 3.06Å; G481-D510 PolarHBondContact N-OD1 3.39Å; E493-D510 WeakPolarHBondContact OE1-CA 3.35Å; E493-D510 PolarHBondContact OE1-N 2.66Å; G508-D510 PolarHBondContact O-N 3.25Å
511	A	85.8	Confident	81.6	Confident	63 Å²	63	72.7 Å²	72.7	52%	0.521	38%	0.376	S	S	.	.			trans	-164.2	105.4	179.7	0	0	0	0	0	115.3	E493 G508 R509	E493-A511 VanDerWaalsContact OE2-CA 3.3Å; E493-A511 WeakPolarHBondContact OE2-CA 3.23Å; E493-A511 PolarHBondContact OE2-N 3.21Å; G508-A511 CarbonylContact O-C 3.18Å; G508-A511 VanDerWaalsContact O-C 3.22Å; G508-A511 PolarHBondContact O-N 2.96Å; R509-A511 PolarHBondContact O-N 2.86Å
512	Y	88.1	Confident	82.1	Confident	67 Å²	67	68.7 Å²	68.7	26%	0.263	37%	0.37	S	S	.	.			trans	-72.6	160.6	164	66.3	-90.1	0	0	0	115.2	E493 P498 L506 H524	E493-Y512 HydrophobicContact CB-CD1 3.81Å; E493-Y512 HydrophobicContact CB-CG 4.48Å; E493-Y512 PolarHBondContact OE2-N 3.38Å; E493-Y512 VanDerWaalsContact OE2-N 3.16Å; P498-Y512 HydrophobicContact CB-CD2 4.05Å; P498-Y512 HydrophobicContact CB-CE1 4.07Å; P498-Y512 HydrophobicContact CB-CE2 3.43Å; P498-Y512 VanDerWaalsContact CB-CE2 3.43Å; P498-Y512 VanDerWaalsContact CB-CZ 3.42Å; P498-Y512 HydrophobicContact CG-CD1 4.19Å; P498-Y512 HydrophobicContact CG-CD2 3.52Å; P498-Y512 HydrophobicContact CG-CE1 4.12Å; P498-Y512 HydrophobicContact CG-CE2 3.47Å; P498-Y512 VanDerWaalsContact CG-CE2 3.47Å; P498-Y512 HydrophobicContact CG-CG 3.88Å; L506-Y512 CarbonylContact O-C 3.35Å; L506-Y512 VanDerWaalsContact O-CA 3.31Å; L506-Y512 WeakPolarHBondContact O-CA 3.41Å; Y512-H524 AromaticContact CE2-ND1 3.98Å; Y512-H524 PolarHBondContact OH-CE1 3.18Å; Y512-H524 PolarHBondContact OH-ND1 2.8Å
513	V	88.7	Confident	82.8	Confident	89 Å²	89	73.8 Å²	73.8	54%	0.539	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.9	174.4	178.7	0	0	0	0	111.2	L506	L506-V513 PolarHBondContact N-O 2.72Å; L506-V513 PolarHBondContact O-N 2.03Å
514	C	88.7	Confident	83.2	Confident	18 Å²	18	76 Å²	76	12%	0.122	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.2	174.3	-70.7	0	0	0	0	112.7	C499 C516 I523	C499-C514 WeakPolarHBondContact CA-SG 3.31Å; C499-C514 HydrophobicContact CB-CB 3.91Å; C499-C514 WeakPolarHBondContact CB-SG 3.47Å; C499-C514 VanDerWaalsContact SG-CA 3.55Å; C499-C514 WeakPolarHBondContact SG-CB 3.24Å; C499-C514 CovalentContact SG-SG 2.04Å; C499-C514 PolarHBondContact SG-SG 2.88Å; C514-C516 PolarHBondContact O-N 2.86Å; C514-I523 WeakPolarHBondContact CB-O 3.46Å
515	I	83.5	Confident	83.2	Confident	91 Å²	91	68.1 Å²	68.1	47%	0.467	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	97.7	167.2	-59.2	-179.3	0	0	0	108.7	G503 Y504 L506	G503-I515 CarbonylContact C-O 3.57Å; G503-I515 WeakPolarHBondContact CA-O 3.19Å; Y504-I515 PolarHBondContact N-O 2.89Å; Y504-I515 PolarHBondContact O-N 2.97Å; L506-I515 HydrophobicContact CD1-CD1 3.57Å; L506-I515 HydrophobicContact CD1-CG1 4.31Å; L506-I515 HydrophobicContact CG-CD1 4.06Å
516	C	83	Confident	83	Confident	36 Å²	36	68.8 Å²	68.8	24%	0.243	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	146.3	-174	-57.5	0	0	0	0	114.4	C514 C525	C514-C516 PolarHBondContact O-N 2.86Å; C516-C525 WeakPolarHBondContact CA-SG 3.38Å; C516-C525 HydrophobicContact CB-CB 3.75Å; C516-C525 WeakPolarHBondContact CB-SG 3.08Å; C516-C525 WeakPolarHBondContact SG-CA 3.21Å; C516-C525 WeakPolarHBondContact SG-CB 3.02Å; C516-C525 CovalentContact SG-SG 2.04Å; C516-C525 PolarHBondContact SG-SG 2.04Å
517	F	73.1	Confident	82.7	Confident	98 Å²	98	69.4 Å²	69.4	43%	0.43	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-68	152.6	169.4	-61.6	-22.9	0	0	0	111.3	G502 Y504 G519 Y520	G502-F517 VanDerWaalsContact CA-CE2 3.47Å; G502-F517 WeakPolarHBondContact O-CD2 3.02Å; G502-F517 WeakPolarHBondContact O-CG 3.41Å; G502-F517 PolarHBondContact O-N 2.97Å; G502-F517 VanDerWaalsContact O-N 3.17Å; Y504-F517 AromaticContact CD2-CE1 3.85Å; Y504-F517 HydrophobicContact CD2-CE1 3.85Å; Y504-F517 AromaticContact CE2-CE1 3.77Å; Y504-F517 HydrophobicContact CE2-CE1 3.77Å; F517-G519 PolarHBondContact O-N 2.83Å; F517-Y520 PolarHBondContact O-N 3Å
518	L	70.9	Confident	82.4	Confident	127 Å²	127	71.1 Å²	71.1	67%	0.665	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	124	-173.1	-67.8	148.8	0	0	0	111.3	Y548	L518-Y548 HydrophobicContact CB-CE1 3.8Å; L518-Y548 HydrophobicContact CD1-CE1 3.97Å; L518-Y548 HydrophobicContact CD2-CE1 4.21Å; L518-Y548 HydrophobicContact CG-CE1 4.19Å
519	G	73	Confident	82.2	Confident	7 Å²	7	72.1 Å²	72.1	7%	0.072	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	3.4	-173.3	0	0	0	0	0	115.6	F517 K528 I529	F517-G519 PolarHBondContact O-N 2.83Å; G519-K528 VanDerWaalsContact O-CG 3.3Å; G519-K528 WeakPolarHBondContact O-CG 3.46Å; G519-I529 PolarHBondContact O-N 3.34Å
520	Y	82.4	Confident	82.1	Confident	83 Å²	83	68.9 Å²	68.9	33%	0.325	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.8	175.7	-66.6	-90.9	0	0	0	113.3	K501 F517 C525 H527 K528	K501-Y520 HydrophobicContact CB-CD1 4.24Å; K501-Y520 HydrophobicContact CB-CE1 4.04Å; K501-Y520 HydrophobicContact CD-CD1 4.42Å; K501-Y520 HydrophobicContact CD-CE1 4.02Å; F517-Y520 PolarHBondContact O-N 3Å; Y520-C525 WeakPolarHBondContact CD1-O 3.35Å; Y520-H527 CarbonylContact C-O 2.83Å; Y520-H527 VanDerWaalsContact CA-O 3.28Å; Y520-H527 WeakPolarHBondContact CA-O 3.48Å; Y520-H527 WeakPolarHBondContact CD1-O 3.28Å; Y520-K528 HydrophobicContact CD1-CB 4.29Å; Y520-K528 HydrophobicContact CE1-CB 4.14Å; Y520-K528 HydrophobicContact CE1-CG 4.35Å
521	E	81.6	Confident	82	Confident	86 Å²	86	66.7 Å²	66.7	40%	0.402	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	175	178.6	67.4	-173	165.8	0	0	110.6	C525 E526 H527 I529	E521-C525 CarbonylContact O-C 3.51Å; E521-C525 WeakPolarHBondContact O-CA 3.45Å; E521-E526 PolarHBondContact O-N 3.46Å; E521-H527 HydrophobicContact CG-CB 3.7Å; E521-H527 PolarHBondContact N-O 3.1Å; E521-H527 WeakPolarHBondContact O-CB 3.5Å; E521-H527 PolarHBondContact O-N 3.44Å; E521-H527 VanDerWaalsContact O-O 3.09Å; E521-I529 HydrophobicContact CB-CG1 3.84Å; E521-I529 HydrophobicContact CG-CG1 3.95Å
522	G	82.6	Confident	81.9	Confident	38 Å²	38	65 Å²	65	39%	0.392	33%	0.332	S	S	.	.	S	Bend	trans	100.9	170.8	-173.5	0	0	0	0	0	112.9	H524 E526	G522-H524 VanDerWaalsContact C-N 3.29Å; G522-H524 PolarHBondContact O-N 3.42Å; G522-E526 WeakPolarHBondContact CA-OE1 3.03Å; G522-E526 WeakPolarHBondContact CA-OE2 2.99Å
523	I	84.1	Confident	81.7	Confident	124 Å²	124	69.4 Å²	69.4	64%	0.636	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-26	-174.8	-58.4	176.1	0	0	0	111	C514 E526	C514-I523 WeakPolarHBondContact CB-O 3.46Å; I523-E526 PolarHBondContact N-OE1 2.81Å; I523-E526 PolarHBondContact N-OE2 2.85Å; I523-E526 VanDerWaalsContact N-OE2 3.16Å
524	H	87	Confident	81.2	Confident	64 Å²	64	69.8 Å²	69.8	30%	0.296	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	16.7	-176.2	-46.5	-65.1	0	0	0	111.3	P498 C499 T500 Y512 G522 E526	P498-H524 WeakPolarHBondContact O-CB 2.99Å; C499-H524 CarbonylContact C-O 3.57Å; C499-H524 VanDerWaalsContact C-O 3.31Å; T500-H524 HydrophobicContact CG2-CB 4.29Å; T500-H524 PolarHBondContact N-O 2.97Å; T500-H524 PolarHBondContact OG1-O 3.22Å; Y512-H524 AromaticContact CE2-ND1 3.98Å; Y512-H524 PolarHBondContact OH-CE1 3.18Å; Y512-H524 PolarHBondContact OH-ND1 2.8Å; G522-H524 VanDerWaalsContact C-N 3.29Å; G522-H524 PolarHBondContact O-N 3.42Å; H524-E526 VanDerWaalsContact C-OE2 3.23Å; H524-E526 VanDerWaalsContact CA-OE2 3.24Å; H524-E526 WeakPolarHBondContact CA-OE2 3.3Å; H524-E526 HydrophobicContact CB-CB 4.47Å; H524-E526 WeakPolarHBondContact CB-OE2 3.38Å; H524-E526 IonicContact CD2-OE2 2.64Å; H524-E526 PolarHBondContact N-OE2 2.86Å; H524-E526 PolarHBondContact O-N 2.04Å
525	C	86.6	Confident	81	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.37	C	S	.	.	S	Bend	trans	55.1	26.6	-172.2	-48	0	0	0	0	113.7	C516 Y520 E521 H527	C516-C525 WeakPolarHBondContact CA-SG 3.38Å; C516-C525 HydrophobicContact CB-CB 3.75Å; C516-C525 WeakPolarHBondContact CB-SG 3.08Å; C516-C525 WeakPolarHBondContact SG-CA 3.21Å; C516-C525 WeakPolarHBondContact SG-CB 3.02Å; C516-C525 CovalentContact SG-SG 2.04Å; C516-C525 PolarHBondContact SG-SG 2.04Å; Y520-C525 WeakPolarHBondContact CD1-O 3.35Å; E521-C525 CarbonylContact O-C 3.51Å; E521-C525 WeakPolarHBondContact O-CA 3.45Å; C525-H527 VanDerWaalsContact C-N 3.33Å; C525-H527 PolarHBondContact O-N 3.06Å
526	E	85.9	Confident	81.1	Confident	50 Å²	50	74.9 Å²	74.9	23%	0.234	38%	0.379	C	S	.	.			trans	-73.3	-23.5	-171.2	70.4	-76.9	-174	0	0	113.1	K501 E521 G522 I523 H524	K501-E526 WeakPolarHBondContact CE-O 3.4Å; K501-E526 PolarHBondContact NZ-O 3.36Å; E521-E526 PolarHBondContact O-N 3.46Å; G522-E526 WeakPolarHBondContact CA-OE1 3.03Å; G522-E526 WeakPolarHBondContact CA-OE2 2.99Å; I523-E526 PolarHBondContact N-OE1 2.81Å; I523-E526 PolarHBondContact N-OE2 2.85Å; I523-E526 VanDerWaalsContact N-OE2 3.16Å; H524-E526 VanDerWaalsContact C-OE2 3.23Å; H524-E526 VanDerWaalsContact CA-OE2 3.24Å; H524-E526 WeakPolarHBondContact CA-OE2 3.3Å; H524-E526 HydrophobicContact CB-CB 4.47Å; H524-E526 WeakPolarHBondContact CB-OE2 3.38Å; H524-E526 IonicContact CD2-OE2 2.64Å; H524-E526 PolarHBondContact N-OE2 2.86Å; H524-E526 PolarHBondContact O-N 2.04Å
527	H	80.5	Confident	81.4	Confident	107 Å²	107	74 Å²	74	50%	0.495	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.4	-179.8	-63.5	-56.6	0	0	0	110.6	Y520 E521 C525	Y520-H527 CarbonylContact C-O 2.83Å; Y520-H527 VanDerWaalsContact CA-O 3.28Å; Y520-H527 WeakPolarHBondContact CA-O 3.48Å; Y520-H527 WeakPolarHBondContact CD1-O 3.28Å; E521-H527 HydrophobicContact CG-CB 3.7Å; E521-H527 PolarHBondContact N-O 3.1Å; E521-H527 WeakPolarHBondContact O-CB 3.5Å; E521-H527 PolarHBondContact O-N 3.44Å; E521-H527 VanDerWaalsContact O-O 3.09Å; C525-H527 VanDerWaalsContact C-N 3.33Å; C525-H527 PolarHBondContact O-N 3.06Å
528	K	76.9	Confident	82	Confident	105 Å²	105	75.1 Å²	75.1	46%	0.457	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.4	166.5	-169.7	-166.7	176	-160.2	0	107.3	G519 Y520 D530	G519-K528 VanDerWaalsContact O-CG 3.3Å; G519-K528 WeakPolarHBondContact O-CG 3.46Å; Y520-K528 HydrophobicContact CD1-CB 4.29Å; Y520-K528 HydrophobicContact CE1-CB 4.14Å; Y520-K528 HydrophobicContact CE1-CG 4.35Å; K528-D530 PolarHBondContact O-N 3.4Å
529	I	78.7	Confident	82.8	Confident	43 Å²	43	70.9 Å²	70.9	22%	0.221	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-58.1	134	178.1	-58.9	170.4	0	0	0	108.7	G519 E521 H531 N545	G519-I529 PolarHBondContact O-N 3.34Å; E521-I529 HydrophobicContact CB-CG1 3.84Å; E521-I529 HydrophobicContact CG-CG1 3.95Å; I529-H531 VanDerWaalsContact CG2-CE1 3.46Å; I529-H531 WeakPolarHBondContact CG2-CE1 3.46Å; I529-N545 PolarHBondContact O-ND2 2.04Å; I529-N545 PolarHBondContact O-OD1 3.09Å
530	D	80.3	Confident	83.4	Confident	57 Å²	57	77.3 Å²	77.3	31%	0.305	39%	0.385	S	S	.	.			trans	-113.1	81.7	177.9	-171.5	13	0	0	0	110.9	K528 C532 K533	K528-D530 PolarHBondContact O-N 3.4Å; D530-C532 PolarHBondContact O-N 3.1Å; D530-C532 VanDerWaalsContact O-N 3.1Å; D530-C532 PolarHBondContact OD1-N 3.39Å; D530-K533 HydrophobicContact CB-CD 4.01Å; D530-K533 HydrophobicContact CB-CG 4.15Å; D530-K533 WeakPolarHBondContact O-CB 3.06Å; D530-K533 PolarHBondContact O-N 3.27Å; D530-K533 WeakPolarHBondContact OD2-CE 3.42Å
531	H	79.6	Confident	83.7	Confident	48 Å²	48	73.8 Å²	73.8	22%	0.222	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-62.5	-15.9	-179.1	-62.3	-75.7	0	0	0	112.9	I529 K533 N545 L546 G549 Y550	I529-H531 VanDerWaalsContact CG2-CE1 3.46Å; I529-H531 WeakPolarHBondContact CG2-CE1 3.46Å; H531-K533 VanDerWaalsContact C-N 3.29Å; H531-K533 PolarHBondContact O-N 3.17Å; H531-N545 PolarHBondContact CD2-OD1 3.12Å; H531-N545 PolarHBondContact N-OD1 3.41Å; H531-N545 VanDerWaalsContact N-OD1 3.09Å; H531-L546 PolarHBondContact CD2-O 3.43Å; H531-G549 WeakPolarHBondContact CB-O 3.42Å; H531-G549 VanDerWaalsContact CD2-CA 3.44Å; H531-G549 WeakPolarHBondContact CD2-CA 3.05Å; H531-G549 PolarHBondContact CD2-N 3.4Å; H531-G549 VanDerWaalsContact CD2-N 3.33Å; H531-G549 PolarHBondContact CD2-O 3.32Å; H531-G549 VanDerWaalsContact CG-CA 3.42Å; H531-G549 PolarHBondContact NE2-N 2.91Å; H531-G549 VanDerWaalsContact NE2-N 3.16Å; H531-Y550 HydrophobicContact CB-CD1 4.1Å
532	C	85.2	Confident	84.1	Confident	27 Å²	27	74.2 Å²	74.2	18%	0.182	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-75.7	-9.6	174.2	-71.4	0	0	0	0	114.3	D530 S534 H535 C543 N545	D530-C532 PolarHBondContact O-N 3.1Å; D530-C532 VanDerWaalsContact O-N 3.1Å; D530-C532 PolarHBondContact OD1-N 3.39Å; C532-S534 PolarHBondContact O-N 2.88Å; C532-H535 PolarHBondContact O-CD2 3.06Å; C532-C543 WeakPolarHBondContact CA-SG 3.16Å; C532-C543 HydrophobicContact CB-CB 3.91Å; C532-C543 WeakPolarHBondContact CB-SG 3.45Å; C532-C543 WeakPolarHBondContact SG-CB 3.44Å; C532-C543 CovalentContact SG-SG 2.04Å; C532-C543 PolarHBondContact SG-SG 2.95Å; C532-N545 PolarHBondContact SG-N 3.39Å; C532-N545 VanDerWaalsContact SG-N 3.41Å
533	K	82.8	Confident	84.5	Confident	160 Å²	160	73.7 Å²	73.7	70%	0.696	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-68.9	-19	174.1	-70.7	173.1	-176	161.1	0	113.8	D530 H531	D530-K533 HydrophobicContact CB-CD 4.01Å; D530-K533 HydrophobicContact CB-CG 4.15Å; D530-K533 WeakPolarHBondContact O-CB 3.06Å; D530-K533 PolarHBondContact O-N 3.27Å; D530-K533 WeakPolarHBondContact OD2-CE 3.42Å; H531-K533 VanDerWaalsContact C-N 3.29Å; H531-K533 PolarHBondContact O-N 3.17Å
534	S	78.4	Confident	84.7	Confident	96 Å²	96	70.8 Å²	70.8	67%	0.671	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-137.3	43.6	-179.4	64.3	0	0	0	0	110.8	C532	C532-S534 PolarHBondContact O-N 2.88Å
535	H	83.8	Confident	84.4	Confident	79 Å²	79	69.6 Å²	69.6	37%	0.366	36%	0.357	S	S	.	.			trans	-79.2	148.9	179.4	70.9	58.9	0	0	0	112.3	C532 C537 C543 Y550	C532-H535 PolarHBondContact O-CD2 3.06Å; H535-C537 PolarHBondContact ND1-N 2.85Å; H535-C543 HydrophobicContact CB-CB 4.18Å; H535-C543 WeakPolarHBondContact CD2-CB 3.5Å; H535-C543 VanDerWaalsContact CD2-SG 3.59Å; H535-Y550 HydrophobicContact CB-CD2 3.76Å; H535-Y550 HydrophobicContact CB-CE1 4.45Å; H535-Y550 HydrophobicContact CB-CE2 3.59Å; H535-Y550 HydrophobicContact CB-CG 4.27Å
536	E	87.1	Confident	83.8	Confident	138 Å²	138	73 Å²	73	65%	0.645	37%	0.374	S	S	*	.			trans	-99.8	13.9	175.7	-57.9	-177.9	164.1	0	0	111.7	E538 Y550 F562	E536-E538 PolarHBondContact O-N 3.35Å; E536-Y550 WeakPolarHBondContact CB-OH 3.37Å; E536-Y550 PolarHBondContact N-OH 3.13Å; E536-F562 HydrophobicContact CB-CD1 4.4Å
537	C	88.1	Confident	82.8	Confident	16 Å²	16	73.7 Å²	73.7	11%	0.108	38%	0.383	C	S	.	.			trans	-58.1	106.7	177.4	-54.3	0	0	0	0	112.3	H535 C552 F562	H535-C537 PolarHBondContact ND1-N 2.85Å; C537-C552 WeakPolarHBondContact CA-SG 3.21Å; C537-C552 HydrophobicContact CB-CB 3.82Å; C537-C552 WeakPolarHBondContact CB-SG 3.09Å; C537-C552 WeakPolarHBondContact SG-CB 3.3Å; C537-C552 CovalentContact SG-SG 2.03Å; C537-C552 PolarHBondContact SG-SG 3.43Å; C537-F562 CarbonylContact C-O 3.54Å; C537-F562 VanDerWaalsContact CA-O 3.3Å; C537-F562 WeakPolarHBondContact CA-O 3.25Å
538	E	87.1	Confident	82.1	Confident	122 Å²	122	77 Å²	77	57%	0.57	39%	0.393	S	S	*	.			trans	-87.9	-178.6	176.7	-71.1	-147.2	-175.9	0	0	112.5	E536 E540 G541 F562 C563	E536-E538 PolarHBondContact O-N 3.35Å; E538-E540 PolarHBondContact O-N 3.33Å; E538-G541 PolarHBondContact O-N 3.31Å; E538-F562 PolarHBondContact N-O 2.9Å; E538-C563 WeakPolarHBondContact O-CB 3.45Å
539	N	86.4	Confident	82	Confident	39 Å²	39	73 Å²	73	21%	0.209	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	35.1	172.2	-71.6	-61.3	0	0	0	116	G541 P555 Y557 A558 C563 E564	N539-G541 VanDerWaalsContact C-N 3.26Å; N539-G541 PolarHBondContact O-N 3.34Å; N539-P555 WeakPolarHBondContact O-CG 3.33Å; N539-Y557 HydrophobicContact CB-CE2 4.28Å; N539-Y557 PolarHBondContact O-OH 3.16Å; N539-Y557 VanDerWaalsContact O-OH 3.05Å; N539-A558 HydrophobicContact CB-CB 4.01Å; N539-C563 WeakPolarHBondContact CB-O 3.42Å; N539-C563 PolarHBondContact ND2-O 3.5Å; N539-E564 PolarHBondContact ND2-O 3.27Å
540	E	87	Confident	82.2	Confident	142 Å²	142	73.4 Å²	73.4	66%	0.664	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	23.2	-176.3	-57.9	152.1	-149.2	0	0	114.2	E538 T542 Y557 K585	E538-E540 PolarHBondContact O-N 3.33Å; E540-T542 PolarHBondContact O-N 3.49Å; E540-Y557 VanDerWaalsContact CD-OH 3.32Å; E540-Y557 PolarHBondContact OE2-OH 3.41Å; E540-K585 VanDerWaalsContact CD-NZ 3.27Å; E540-K585 IonicContact OE1-NZ 2.95Å; E540-K585 PolarHBondContact OE1-NZ 3.23Å; E540-K585 IonicContact OE2-NZ 2.7Å
541	G	88.3	Confident	82.6	Confident	9 Å²	9	72.8 Å²	72.8	9%	0.093	38%	0.383	C	S	.	.			trans	-60.1	131.2	171.2	0	0	0	0	0	112.4	E538 N539 C543	E538-G541 PolarHBondContact O-N 3.31Å; N539-G541 VanDerWaalsContact C-N 3.26Å; N539-G541 PolarHBondContact O-N 3.34Å; G541-C543 PolarHBondContact O-N 3.41Å
542	T	90.5	Very high	83.1	Confident	95 Å²	95	71.3 Å²	71.3	58%	0.583	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	114.1	-179.2	-61.1	0	0	0	0	110.6	E540 T553	E540-T542 PolarHBondContact O-N 3.49Å; T542-T553 PolarHBondContact N-O 3.45Å; T542-T553 WeakPolarHBondContact O-CB 3.5Å; T542-T553 PolarHBondContact O-N 3.27Å; T542-T553 PolarHBondContact O-OG1 3.44Å
543	C	90.1	Very high	83.4	Confident	26 Å²	26	74 Å²	74	18%	0.176	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.5	178	-174.8	0	0	0	0	112.8	C532 H535 G541	C532-C543 WeakPolarHBondContact CA-SG 3.16Å; C532-C543 HydrophobicContact CB-CB 3.91Å; C532-C543 WeakPolarHBondContact CB-SG 3.45Å; C532-C543 WeakPolarHBondContact SG-CB 3.44Å; C532-C543 CovalentContact SG-SG 2.04Å; C532-C543 PolarHBondContact SG-SG 2.95Å; H535-C543 HydrophobicContact CB-CB 4.18Å; H535-C543 WeakPolarHBondContact CD2-CB 3.5Å; H535-C543 VanDerWaalsContact CD2-SG 3.59Å; G541-C543 PolarHBondContact O-N 3.41Å
544	V	88.6	Confident	83.6	Confident	63 Å²	63	68.4 Å²	68.4	38%	0.382	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116	173.6	-179.6	0	0	0	0	108.7	L546 Y550 A551 T553	V544-L546 HydrophobicContact CG1-CD2 4.15Å; V544-L546 PolarHBondContact O-N 3.16Å; V544-Y550 WeakPolarHBondContact O-CA 3.41Å; V544-A551 PolarHBondContact N-O 2.83Å; V544-A551 PolarHBondContact O-N 3.48Å; V544-T553 WeakPolarHBondContact CG2-OG1 3.05Å
545	N	80	Confident	84	Confident	40 Å²	40	65.6 Å²	65.6	21%	0.214	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	118.5	-179.2	-179.3	32.9	0	0	0	111.4	I529 H531 C532	I529-N545 PolarHBondContact O-ND2 2.04Å; I529-N545 PolarHBondContact O-OD1 3.09Å; H531-N545 PolarHBondContact CD2-OD1 3.12Å; H531-N545 PolarHBondContact N-OD1 3.41Å; H531-N545 VanDerWaalsContact N-OD1 3.09Å; C532-N545 PolarHBondContact SG-N 3.39Å; C532-N545 VanDerWaalsContact SG-N 3.41Å
546	L	74.8	Confident	84.2	Confident	70 Å²	70	70.3 Å²	70.3	37%	0.366	38%	0.376	S	S	.	.			trans	-107	171.9	-177	-60.8	178.1	0	0	0	110.9	H531 V544 Y548 G549 A551	H531-L546 PolarHBondContact CD2-O 3.43Å; V544-L546 HydrophobicContact CG1-CD2 4.15Å; V544-L546 PolarHBondContact O-N 3.16Å; L546-Y548 PolarHBondContact O-N 3.28Å; L546-G549 CarbonylContact C-O 3.57Å; L546-G549 WeakPolarHBondContact CA-O 3.32Å; L546-G549 WeakPolarHBondContact CB-O 3.45Å; L546-G549 PolarHBondContact N-O 3.33Å; L546-A551 HydrophobicContact CD1-CB 3.86Å
547	P	65	Low	84.1	Confident	66 Å²	66	65.9 Å²	65.9	43%	0.429	35%	0.353	S	S	.	.	S	Bend	trans	-70	-8.9	172.7	-18.8	33.3	0	0	0	114.3
548	Y	66.1	Low	84.1	Confident	176 Å²	176	65.5 Å²	65.5	69%	0.69	35%	0.351	S	S	*	.	S	Bend	trans	-140.2	63.2	-172	-63.3	-72.8	0	0	0	110	L518 L546	L518-Y548 HydrophobicContact CB-CE1 3.8Å; L518-Y548 HydrophobicContact CD1-CE1 3.97Å; L518-Y548 HydrophobicContact CD2-CE1 4.21Å; L518-Y548 HydrophobicContact CG-CE1 4.19Å; L546-Y548 PolarHBondContact O-N 3.28Å
549	G	73.5	Confident	84.1	Confident	20 Å²	20	62.5 Å²	62.5	21%	0.206	34%	0.342	C	S	.	.	S	Bend	trans	88.3	-149.6	-172.6	0	0	0	0	0	112.9	H531 L546	H531-G549 WeakPolarHBondContact CB-O 3.42Å; H531-G549 VanDerWaalsContact CD2-CA 3.44Å; H531-G549 WeakPolarHBondContact CD2-CA 3.05Å; H531-G549 PolarHBondContact CD2-N 3.4Å; H531-G549 VanDerWaalsContact CD2-N 3.33Å; H531-G549 PolarHBondContact CD2-O 3.32Å; H531-G549 VanDerWaalsContact CG-CA 3.42Å; H531-G549 PolarHBondContact NE2-N 2.91Å; H531-G549 VanDerWaalsContact NE2-N 3.16Å; L546-G549 CarbonylContact C-O 3.57Å; L546-G549 WeakPolarHBondContact CA-O 3.32Å; L546-G549 WeakPolarHBondContact CB-O 3.45Å; L546-G549 PolarHBondContact N-O 3.33Å
550	Y	84.3	Confident	84.1	Confident	52 Å²	52	62.6 Å²	62.6	20%	0.204	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	164.9	-177.7	64.9	-81.8	0	0	0	110.6	H531 H535 E536 V544 F562	H531-Y550 HydrophobicContact CB-CD1 4.1Å; H535-Y550 HydrophobicContact CB-CD2 3.76Å; H535-Y550 HydrophobicContact CB-CE1 4.45Å; H535-Y550 HydrophobicContact CB-CE2 3.59Å; H535-Y550 HydrophobicContact CB-CG 4.27Å; E536-Y550 WeakPolarHBondContact CB-OH 3.37Å; E536-Y550 PolarHBondContact N-OH 3.13Å; V544-Y550 WeakPolarHBondContact O-CA 3.41Å; Y550-F562 AromaticContact CE2-CD1 3.79Å; Y550-F562 HydrophobicContact CE2-CD1 3.79Å; Y550-F562 AromaticContact CE2-CE1 3.83Å; Y550-F562 HydrophobicContact CE2-CE1 3.83Å; Y550-F562 AromaticContact CZ-CD1 3.96Å; Y550-F562 AromaticContact CZ-CE1 3.7Å; Y550-F562 WeakPolarHBondContact OH-CD1 2.98Å; Y550-F562 WeakPolarHBondContact OH-CE1 3.32Å
551	A	87.2	Confident	84	Confident	44 Å²	44	62.8 Å²	62.8	36%	0.364	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.5	170.6	0	0	0	0	0	110.4	V544 L546	V544-A551 PolarHBondContact N-O 2.83Å; V544-A551 PolarHBondContact O-N 3.48Å; L546-A551 HydrophobicContact CD1-CB 3.86Å
552	C	90.5	Very high	84	Confident	18 Å²	18	65.3 Å²	65.3	12%	0.122	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.5	-179.9	-56	0	0	0	0	111	C537 C563	C537-C552 WeakPolarHBondContact CA-SG 3.21Å; C537-C552 HydrophobicContact CB-CB 3.82Å; C537-C552 WeakPolarHBondContact CB-SG 3.09Å; C537-C552 WeakPolarHBondContact SG-CB 3.3Å; C537-C552 CovalentContact SG-SG 2.03Å; C537-C552 PolarHBondContact SG-SG 3.43Å; C552-C563 VanDerWaalsContact CB-SG 3.57Å
553	T	91.1	Very high	83.9	Confident	82 Å²	82	60.8 Å²	60.8	50%	0.503	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	101.7	174.8	-51.1	0	0	0	0	108.8	T542 V544	T542-T553 PolarHBondContact N-O 3.45Å; T542-T553 WeakPolarHBondContact O-CB 3.5Å; T542-T553 PolarHBondContact O-N 3.27Å; T542-T553 PolarHBondContact O-OG1 3.44Å; V544-T553 WeakPolarHBondContact CG2-OG1 3.05Å
554	C	88.4	Confident	83.7	Confident	43 Å²	43	63.4 Å²	63.4	29%	0.291	34%	0.343	S	S	.	.			trans	-77.3	140.5	-172.4	-50.7	0	0	0	0	113.2	A558 C563	C554-A558 HydrophobicContact CB-CB 4.22Å; C554-C563 WeakPolarHBondContact CA-SG 3.4Å; C554-C563 HydrophobicContact CB-CB 3.85Å; C554-C563 WeakPolarHBondContact CB-SG 3.08Å; C554-C563 WeakPolarHBondContact SG-CA 3.05Å; C554-C563 WeakPolarHBondContact SG-CB 3.31Å; C554-C563 CovalentContact SG-SG 2.04Å; C554-C563 PolarHBondContact SG-SG 2.85Å
555	P	86.4	Confident	83.6	Confident	37 Å²	37	65.1 Å²	65.1	24%	0.24	35%	0.35	C	S	.	.			trans	-67.2	162.9	169.4	29.5	-35.4	0	0	0	111.4	N539 Y557 A558	N539-P555 WeakPolarHBondContact O-CG 3.33Å; P555-Y557 HydrophobicContact CB-CD1 4.04Å; P555-Y557 HydrophobicContact CB-CE1 3.66Å; P555-Y557 HydrophobicContact CG-CD1 4.19Å; P555-Y557 HydrophobicContact CG-CD2 4.33Å; P555-Y557 HydrophobicContact CG-CE1 3.66Å; P555-Y557 HydrophobicContact CG-CE2 3.81Å; P555-Y557 VanDerWaalsContact CG-CZ 3.45Å; P555-Y557 PolarHBondContact O-N 3.41Å; P555-A558 HydrophobicContact CG-CB 4.21Å; P555-A558 PolarHBondContact O-N 2.88Å
556	E	88.3	Confident	83.7	Confident	179 Å²	179	66 Å²	66	84%	0.836	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.1	-171	-65.6	-163.1	129.4	0	0	116.3	K567	E556-K567 WeakPolarHBondContact O-CD 3.46Å; E556-K567 WeakPolarHBondContact O-CE 3.47Å; E556-K567 PolarHBondContact O-NZ 3.5Å
557	Y	85.1	Confident	84.1	Confident	44 Å²	44	66.5 Å²	66.5	17%	0.173	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-1.8	-179.1	62.9	-103.9	0	0	0	114.5	N539 E540 P555 L566 K567 K585	N539-Y557 HydrophobicContact CB-CE2 4.28Å; N539-Y557 PolarHBondContact O-OH 3.16Å; N539-Y557 VanDerWaalsContact O-OH 3.05Å; E540-Y557 VanDerWaalsContact CD-OH 3.32Å; E540-Y557 PolarHBondContact OE2-OH 3.41Å; P555-Y557 HydrophobicContact CB-CD1 4.04Å; P555-Y557 HydrophobicContact CB-CE1 3.66Å; P555-Y557 HydrophobicContact CG-CD1 4.19Å; P555-Y557 HydrophobicContact CG-CD2 4.33Å; P555-Y557 HydrophobicContact CG-CE1 3.66Å; P555-Y557 HydrophobicContact CG-CE2 3.81Å; P555-Y557 VanDerWaalsContact CG-CZ 3.45Å; P555-Y557 PolarHBondContact O-N 3.41Å; Y557-L566 HydrophobicContact CD2-CD2 4.15Å; Y557-K567 VanDerWaalsContact O-CB 3.25Å; Y557-K567 WeakPolarHBondContact O-CB 3.02Å; Y557-K567 PolarHBondContact O-N 2.82Å; Y557-K585 HydrophobicContact CD2-CD 4.41Å; Y557-K585 HydrophobicContact CD2-CG 3.88Å; Y557-K585 HydrophobicContact CE2-CD 3.85Å; Y557-K585 HydrophobicContact CE2-CG 3.82Å; Y557-K585 HydrophobicContact CG-CG 4.44Å; Y557-K585 VanDerWaalsContact CZ-CE 3.43Å; Y557-K585 WeakPolarHBondContact OH-CE 2.84Å; Y557-K585 PolarHBondContact OH-NZ 3.43Å
558	A	87.6	Confident	84.9	Confident	8 Å²	8	67 Å²	67	7%	0.066	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.8	-178	0	0	0	0	0	112	N539 C554 P555 C563 D565	N539-A558 HydrophobicContact CB-CB 4.01Å; C554-A558 HydrophobicContact CB-CB 4.22Å; P555-A558 HydrophobicContact CG-CB 4.21Å; P555-A558 PolarHBondContact O-N 2.88Å; A558-C563 HydrophobicContact CB-CB 4.24Å; A558-D565 CarbonylContact C-O 3.22Å; A558-D565 WeakPolarHBondContact CA-O 3.4Å
559	T	87.4	Confident	85.7	Confident	60 Å²	60	60.9 Å²	60.9	37%	0.368	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	171.7	-177.2	40	0	0	0	0	109.8	C563 E564 D565 K567	T559-C563 CarbonylContact O-C 3.57Å; T559-C563 VanDerWaalsContact O-C 3.3Å; T559-C563 VanDerWaalsContact O-CA 3.31Å; T559-C563 WeakPolarHBondContact O-CA 3.44Å; T559-E564 PolarHBondContact O-N 2.64Å; T559-D565 PolarHBondContact N-O 2.82Å; T559-D565 WeakPolarHBondContact O-CB 3.41Å; T559-D565 PolarHBondContact O-N 3.05Å; T559-D565 WeakPolarHBondContact OG1-CB 3.03Å; T559-D565 PolarHBondContact OG1-O 2.99Å; T559-K567 HydrophobicContact CG2-CB 4.09Å; T559-K567 HydrophobicContact CG2-CG 4.22Å; T559-K567 WeakPolarHBondContact OG1-CA 3.48Å
560	G	85.7	Confident	86.1	Confident	41 Å²	41	61.4 Å²	61.4	42%	0.423	33%	0.332	S	S	.	.	S	Bend	trans	109.5	-178.6	-174.5	0	0	0	0	0	112.2	E564	G560-E564 VanDerWaalsContact CA-CD 3.5Å; G560-E564 VanDerWaalsContact CA-OE1 3.27Å; G560-E564 WeakPolarHBondContact CA-OE1 3.38Å; G560-E564 WeakPolarHBondContact CA-OE2 3.25Å
561	E	85.6	Confident	85.7	Confident	146 Å²	146	66.7 Å²	66.7	68%	0.682	36%	0.356	S	S	*	.	S	Bend	trans	-83.9	-32.2	176.9	-173.1	168.1	178.5	0	0	111.5	E564	E561-E564 PolarHBondContact N-OE1 3.42Å; E561-E564 VanDerWaalsContact N-OE1 3.11Å; E561-E564 PolarHBondContact N-OE2 3.38Å; E561-E564 VanDerWaalsContact N-OE2 3.11Å
562	F	88.6	Confident	85.2	Confident	62 Å²	62	68.7 Å²	68.7	27%	0.272	36%	0.361	S	S	.	.	S	Bend	trans	-111.8	13.2	178.7	-54.5	-73.2	0	0	0	112.4	E536 C537 E538 Y550 E564	E536-F562 HydrophobicContact CB-CD1 4.4Å; C537-F562 CarbonylContact C-O 3.54Å; C537-F562 VanDerWaalsContact CA-O 3.3Å; C537-F562 WeakPolarHBondContact CA-O 3.25Å; E538-F562 PolarHBondContact N-O 2.9Å; Y550-F562 AromaticContact CE2-CD1 3.79Å; Y550-F562 HydrophobicContact CE2-CD1 3.79Å; Y550-F562 AromaticContact CE2-CE1 3.83Å; Y550-F562 HydrophobicContact CE2-CE1 3.83Å; Y550-F562 AromaticContact CZ-CD1 3.96Å; Y550-F562 AromaticContact CZ-CE1 3.7Å; Y550-F562 WeakPolarHBondContact OH-CD1 2.98Å; Y550-F562 WeakPolarHBondContact OH-CE1 3.32Å; F562-E564 VanDerWaalsContact CA-OE2 3.25Å; F562-E564 WeakPolarHBondContact CA-OE2 3.27Å; F562-E564 PolarHBondContact N-OE2 2.82Å; F562-E564 PolarHBondContact O-N 2.92Å
563	C	88.3	Confident	84.2	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.396	C	S	.	.	S	Bend	trans	62.3	24.4	-174.3	-45.7	0	0	0	0	114.2	E538 N539 C552 C554 A558 T559	E538-C563 WeakPolarHBondContact O-CB 3.45Å; N539-C563 WeakPolarHBondContact CB-O 3.42Å; N539-C563 PolarHBondContact ND2-O 3.5Å; C552-C563 VanDerWaalsContact CB-SG 3.57Å; C554-C563 WeakPolarHBondContact CA-SG 3.4Å; C554-C563 HydrophobicContact CB-CB 3.85Å; C554-C563 WeakPolarHBondContact CB-SG 3.08Å; C554-C563 WeakPolarHBondContact SG-CA 3.05Å; C554-C563 WeakPolarHBondContact SG-CB 3.31Å; C554-C563 CovalentContact SG-SG 2.04Å; C554-C563 PolarHBondContact SG-SG 2.85Å; A558-C563 HydrophobicContact CB-CB 4.24Å; T559-C563 CarbonylContact O-C 3.57Å; T559-C563 VanDerWaalsContact O-C 3.3Å; T559-C563 VanDerWaalsContact O-CA 3.31Å; T559-C563 WeakPolarHBondContact O-CA 3.44Å
564	E	86.3	Confident	83.3	Confident	81 Å²	81	78.1 Å²	78.1	38%	0.379	40%	0.401	S	S	.	.			trans	-61.2	-39	-179.8	64.6	-79.5	-166.1	0	0	113.2	N539 T559 G560 E561 F562	N539-E564 PolarHBondContact ND2-O 3.27Å; T559-E564 PolarHBondContact O-N 2.64Å; G560-E564 VanDerWaalsContact CA-CD 3.5Å; G560-E564 VanDerWaalsContact CA-OE1 3.27Å; G560-E564 WeakPolarHBondContact CA-OE1 3.38Å; G560-E564 WeakPolarHBondContact CA-OE2 3.25Å; E561-E564 PolarHBondContact N-OE1 3.42Å; E561-E564 VanDerWaalsContact N-OE1 3.11Å; E561-E564 PolarHBondContact N-OE2 3.38Å; E561-E564 VanDerWaalsContact N-OE2 3.11Å; F562-E564 VanDerWaalsContact CA-OE2 3.25Å; F562-E564 WeakPolarHBondContact CA-OE2 3.27Å; F562-E564 PolarHBondContact N-OE2 2.82Å; F562-E564 PolarHBondContact O-N 2.92Å
565	D	85.1	Confident	83	Confident	98 Å²	98	77 Å²	77	52%	0.524	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.8	-176.8	-80.9	-39	0	0	0	112	A558 T559 K567	A558-D565 CarbonylContact C-O 3.22Å; A558-D565 WeakPolarHBondContact CA-O 3.4Å; T559-D565 PolarHBondContact N-O 2.82Å; T559-D565 WeakPolarHBondContact O-CB 3.41Å; T559-D565 PolarHBondContact O-N 3.05Å; T559-D565 WeakPolarHBondContact OG1-CB 3.03Å; T559-D565 PolarHBondContact OG1-O 2.99Å; D565-K567 PolarHBondContact O-N 3.37Å
566	L	83.2	Confident	82.8	Confident	59 Å²	59	75.4 Å²	75.4	31%	0.309	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.1	160.7	-68.7	179.2	0	0	0	109.2	Y557 D568 N583 K585	Y557-L566 HydrophobicContact CD2-CD2 4.15Å; L566-D568 PolarHBondContact O-N 3.01Å; L566-N583 PolarHBondContact O-ND2 2.98Å; L566-N583 VanDerWaalsContact O-ND2 3.08Å; L566-K585 HydrophobicContact CD1-CB 4.23Å; L566-K585 HydrophobicContact CD2-CB 4.08Å; L566-K585 HydrophobicContact CD2-CG 4.4Å
567	K	82.7	Confident	82.5	Confident	80 Å²	80	68.3 Å²	68.3	35%	0.348	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-46.8	121.8	179	179.2	178.4	175.4	175.2	0	110.2	E556 Y557 T559 D565 N569 N583	E556-K567 WeakPolarHBondContact O-CD 3.46Å; E556-K567 WeakPolarHBondContact O-CE 3.47Å; E556-K567 PolarHBondContact O-NZ 3.5Å; Y557-K567 VanDerWaalsContact O-CB 3.25Å; Y557-K567 WeakPolarHBondContact O-CB 3.02Å; Y557-K567 PolarHBondContact O-N 2.82Å; T559-K567 HydrophobicContact CG2-CB 4.09Å; T559-K567 HydrophobicContact CG2-CG 4.22Å; T559-K567 WeakPolarHBondContact OG1-CA 3.48Å; D565-K567 PolarHBondContact O-N 3.37Å; K567-N569 PolarHBondContact O-N 3Å; K567-N569 PolarHBondContact O-ND2 3.43Å; K567-N583 PolarHBondContact O-ND2 3.41Å; K567-N583 PolarHBondContact O-OD1 2.03Å
568	D	82.3	Confident	82.4	Confident	77 Å²	77	71 Å²	71	41%	0.412	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-67.1	121.2	-176	-179.7	36.3	0	0	0	111.7	L566 C570 K571	L566-D568 PolarHBondContact O-N 3.01Å; D568-C570 WeakPolarHBondContact OD1-CA 3.25Å; D568-C570 WeakPolarHBondContact OD1-CB 3.49Å; D568-C570 PolarHBondContact OD1-N 2.82Å; D568-K571 WeakPolarHBondContact O-CE 3.48Å
569	N	81.6	Confident	82.3	Confident	48 Å²	48	71.5 Å²	71.5	26%	0.257	38%	0.376	S	S	.	.			trans	-103.8	-7.8	172.8	-53.9	-75	0	0	0	111.9	K567 K571 Q575 N583 G587 Y588	K567-N569 PolarHBondContact O-N 3Å; K567-N569 PolarHBondContact O-ND2 3.43Å; N569-K571 PolarHBondContact O-N 2.95Å; N569-Q575 PolarHBondContact O-NE2 3.11Å; N569-Q575 PolarHBondContact O-OE1 2.74Å; N569-N583 WeakPolarHBondContact CB-OD1 3.34Å; N569-N583 PolarHBondContact N-OD1 3.23Å; N569-N583 PolarHBondContact ND2-OD1 2.95Å; N569-G587 WeakPolarHBondContact ND2-CA 3.49Å; N569-G587 PolarHBondContact ND2-O 2.8Å; N569-G587 VanDerWaalsContact ND2-O 3.07Å; N569-Y588 HydrophobicContact CB-CD1 3.97Å
570	C	83	Confident	82.2	Confident	30 Å²	30	76.1 Å²	76.1	20%	0.203	39%	0.388	C	S	.	.			trans	-79.4	33	179.5	-72.7	0	0	0	0	114	D568 D572 Q575 C581	D568-C570 WeakPolarHBondContact OD1-CA 3.25Å; D568-C570 WeakPolarHBondContact OD1-CB 3.49Å; D568-C570 PolarHBondContact OD1-N 2.82Å; C570-D572 PolarHBondContact O-N 2.82Å; C570-Q575 VanDerWaalsContact CA-NE2 3.27Å; C570-Q575 PolarHBondContact O-NE2 3.04Å; C570-C581 WeakPolarHBondContact CA-SG 3.06Å; C570-C581 HydrophobicContact CB-CB 3.76Å; C570-C581 WeakPolarHBondContact CB-SG 3.48Å; C570-C581 WeakPolarHBondContact SG-CB 3.49Å; C570-C581 PolarHBondContact SG-O 2.7Å; C570-C581 CovalentContact SG-SG 2.04Å; C570-C581 PolarHBondContact SG-SG 2.91Å
571	K	75.7	Confident	82.3	Confident	164 Å²	164	75.1 Å²	75.1	71%	0.713	37%	0.374	S	S	*	.			trans	-73.7	-18.8	-168.8	-56.3	-162.5	-179.5	-159.8	0	117.3	D568 N569	D568-K571 WeakPolarHBondContact O-CE 3.48Å; N569-K571 PolarHBondContact O-N 2.95Å
572	D	76.6	Confident	82.4	Confident	85 Å²	85	74 Å²	74	46%	0.455	36%	0.363	S	S	.	.			trans	-108.6	116.4	176	169.7	19.5	0	0	0	109.2	C570 N574 Q575	C570-D572 PolarHBondContact O-N 2.82Å; D572-N574 PolarHBondContact O-N 2.04Å; D572-N574 VanDerWaalsContact O-N 3.15Å; D572-N574 WeakPolarHBondContact OD1-CB 3.48Å; D572-N574 PolarHBondContact OD1-N 2.73Å; D572-Q575 HydrophobicContact CB-CB 4.12Å; D572-Q575 VanDerWaalsContact N-NE2 3.11Å; D572-Q575 VanDerWaalsContact O-CG 3.23Å; D572-Q575 WeakPolarHBondContact O-CG 3.45Å; D572-Q575 PolarHBondContact O-N 3.11Å; D572-Q575 VanDerWaalsContact O-N 3.17Å; D572-Q575 PolarHBondContact O-NE2 2.99Å; D572-Q575 PolarHBondContact OD2-N 3.24Å
573	E	68.6	Low	82.1	Confident	187 Å²	187	73 Å²	73	87%	0.874	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.7	178	-61.6	-179.7	148.9	0	0	112.3
574	N	72.1	Confident	81.7	Confident	111 Å²	111	77.6 Å²	77.6	59%	0.594	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-0.8	-176.4	-66.3	-85	0	0	0	113.8	D572 C576 G577 K602	D572-N574 PolarHBondContact O-N 2.04Å; D572-N574 VanDerWaalsContact O-N 3.15Å; D572-N574 WeakPolarHBondContact OD1-CB 3.48Å; D572-N574 PolarHBondContact OD1-N 2.73Å; N574-C576 VanDerWaalsContact C-N 3.3Å; N574-C576 PolarHBondContact O-N 2.83Å; N574-G577 PolarHBondContact O-N 3.04Å; N574-K602 VanDerWaalsContact O-CE 3.25Å; N574-K602 WeakPolarHBondContact O-CE 3.31Å; N574-K602 PolarHBondContact O-NZ 3.16Å
575	Q	82.8	Confident	81.5	Confident	20 Å²	20	78.6 Å²	78.6	9%	0.093	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.1	-176.1	74.5	-163.2	-58.8	0	0	112.3	N569 C570 D572 Y588 S600 K602	N569-Q575 PolarHBondContact O-NE2 3.11Å; N569-Q575 PolarHBondContact O-OE1 2.74Å; C570-Q575 VanDerWaalsContact CA-NE2 3.27Å; C570-Q575 PolarHBondContact O-NE2 3.04Å; D572-Q575 HydrophobicContact CB-CB 4.12Å; D572-Q575 VanDerWaalsContact N-NE2 3.11Å; D572-Q575 VanDerWaalsContact O-CG 3.23Å; D572-Q575 WeakPolarHBondContact O-CG 3.45Å; D572-Q575 PolarHBondContact O-N 3.11Å; D572-Q575 VanDerWaalsContact O-N 3.17Å; D572-Q575 PolarHBondContact O-NE2 2.99Å; D572-Q575 PolarHBondContact OD2-N 3.24Å; Q575-Y588 HydrophobicContact CG-CE2 4.03Å; Q575-Y588 PolarHBondContact OE1-OH 2.69Å; Q575-S600 WeakPolarHBondContact O-CB 3.35Å; Q575-K602 PolarHBondContact O-NZ 3.37Å
576	C	81.8	Confident	81.1	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.02	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	4.3	179.1	-68.5	0	0	0	0	115.9	N574 Q578 G579 C581 C590 S600 C601	N574-C576 VanDerWaalsContact C-N 3.3Å; N574-C576 PolarHBondContact O-N 2.83Å; C576-Q578 PolarHBondContact O-N 2.99Å; C576-G579 VanDerWaalsContact CB-O 3.25Å; C576-G579 WeakPolarHBondContact CB-O 3.47Å; C576-G579 PolarHBondContact O-N 3.07Å; C576-C581 HydrophobicContact CB-CB 4.44Å; C576-C581 VanDerWaalsContact SG-CB 3.54Å; C576-C590 WeakPolarHBondContact CA-SG 3.01Å; C576-C590 HydrophobicContact CB-CB 3.61Å; C576-C590 WeakPolarHBondContact CB-SG 3.17Å; C576-C590 VanDerWaalsContact SG-CA 3.5Å; C576-C590 WeakPolarHBondContact SG-CB 3.45Å; C576-C590 CovalentContact SG-SG 2.03Å; C576-C590 PolarHBondContact SG-SG 2.04Å; C576-S600 CarbonylContact C-O 3.57Å; C576-S600 VanDerWaalsContact O-O 3.07Å; C576-C601 VanDerWaalsContact O-CB 3.28Å; C576-C601 WeakPolarHBondContact O-CB 3.35Å
577	G	82.5	Confident	81.1	Confident	30 Å²	30	74.8 Å²	74.8	31%	0.309	38%	0.383	S	S	.	.	S	Bend	trans	64.5	-104.2	167.7	0	0	0	0	0	114.5	N574	N574-G577 PolarHBondContact O-N 3.04Å
578	Q	83.7	Confident	81.3	Confident	101 Å²	101	75.4 Å²	75.4	47%	0.472	38%	0.383	S	S	.	.	S	Bend	trans	-113.3	77	171	-62.6	-67	-86.6	0	0	108.3	C576 D593 Y596 C601	C576-Q578 PolarHBondContact O-N 2.99Å; Q578-D593 PolarHBondContact O-N 2.82Å; Q578-D593 VanDerWaalsContact O-N 3.1Å; Q578-Y596 HydrophobicContact CB-CD1 3.88Å; Q578-Y596 HydrophobicContact CB-CD2 3.54Å; Q578-Y596 HydrophobicContact CB-CE1 4.03Å; Q578-Y596 HydrophobicContact CB-CE2 3.7Å; Q578-Y596 HydrophobicContact CB-CG 3.63Å; Q578-Y596 HydrophobicContact CG-CD1 4.21Å; Q578-Y596 HydrophobicContact CG-CD2 4.24Å; Q578-Y596 HydrophobicContact CG-CE1 3.86Å; Q578-Y596 HydrophobicContact CG-CE2 3.89Å; Q578-Y596 HydrophobicContact CG-CG 4.39Å; Q578-C601 PolarHBondContact N-O 3.11Å; Q578-C601 WeakPolarHBondContact O-CB 3.04Å
579	G	84.6	Confident	81.5	Confident	18 Å²	18	74.3 Å²	74.3	19%	0.186	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	155.3	-178.1	0	0	0	0	0	112.7	C576 I591 D593	C576-G579 VanDerWaalsContact CB-O 3.25Å; C576-G579 WeakPolarHBondContact CB-O 3.47Å; C576-G579 PolarHBondContact O-N 3.07Å; G579-I591 CarbonylContact C-O 3.59Å; G579-I591 WeakPolarHBondContact CA-O 3Å; G579-D593 WeakPolarHBondContact CA-OD2 3.03Å; G579-D593 PolarHBondContact N-OD2 3.08Å; G579-D593 VanDerWaalsContact N-OD2 3.11Å
580	Y	86.7	Confident	81.9	Confident	157 Å²	157	73 Å²	73	62%	0.616	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.3	179.7	171.6	-105.8	0	0	0	112.3	R582 I591	Y580-R582 HydrophobicContact CE1-CB 4.16Å; Y580-I591 HydrophobicContact CD1-CD1 4.43Å; Y580-I591 PolarHBondContact N-O 3.01Å; Y580-I591 PolarHBondContact O-N 3.44Å
581	C	86.9	Confident	82	Confident	20 Å²	20	75 Å²	75	14%	0.135	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.3	174.7	-170.8	0	0	0	0	111.1	C570 C576	C570-C581 WeakPolarHBondContact CA-SG 3.06Å; C570-C581 HydrophobicContact CB-CB 3.76Å; C570-C581 WeakPolarHBondContact CB-SG 3.48Å; C570-C581 WeakPolarHBondContact SG-CB 3.49Å; C570-C581 PolarHBondContact SG-O 2.7Å; C570-C581 CovalentContact SG-SG 2.04Å; C570-C581 PolarHBondContact SG-SG 2.91Å; C576-C581 HydrophobicContact CB-CB 4.44Å; C576-C581 VanDerWaalsContact SG-CB 3.54Å
582	R	86.7	Confident	82.4	Confident	122 Å²	122	69.1 Å²	69.1	46%	0.46	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.5	171.8	-178.8	163.3	69.3	-167.2	-0.8	109.9	Y580 Y588 E589 I591	Y580-R582 HydrophobicContact CE1-CB 4.16Å; R582-Y588 WeakPolarHBondContact O-CA 3.37Å; R582-E589 HydrophobicContact CB-CG 4.16Å; R582-E589 IonicContact CZ-OE1 3.16Å; R582-E589 PolarHBondContact N-O 3.45Å; R582-E589 IonicContact NE-OE1 2.8Å; R582-E589 PolarHBondContact NE-OE1 2.85Å; R582-E589 IonicContact NH2-OE1 2.69Å; R582-E589 PolarHBondContact NH2-OE1 2.94Å; R582-E589 PolarHBondContact O-N 2.8Å; R582-I591 HydrophobicContact CB-CD1 4.2Å
583	N	82.5	Confident	82.7	Confident	42 Å²	42	69.1 Å²	69.1	23%	0.225	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	148.1	174.9	-163.7	40.8	0	0	0	110.9	L566 K567 N569 G587	L566-N583 PolarHBondContact O-ND2 2.98Å; L566-N583 VanDerWaalsContact O-ND2 3.08Å; K567-N583 PolarHBondContact O-ND2 3.41Å; K567-N583 PolarHBondContact O-OD1 2.03Å; N569-N583 WeakPolarHBondContact CB-OD1 3.34Å; N569-N583 PolarHBondContact N-OD1 3.23Å; N569-N583 PolarHBondContact ND2-OD1 2.95Å; N583-G587 PolarHBondContact OD1-O 3.43Å
584	K	81.4	Confident	83.2	Confident	96 Å²	96	69.6 Å²	69.6	42%	0.417	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.8	-174.6	-100	-176.1	163.2	174.7	0	111.7	G586 G587 E589	K584-G586 PolarHBondContact O-N 3.18Å; K584-G587 CarbonylContact C-O 3.57Å; K584-G587 WeakPolarHBondContact CA-O 3.42Å; K584-G587 PolarHBondContact N-O 2.98Å; K584-G587 PolarHBondContact O-N 3.39Å; K584-E589 HydrophobicContact CD-CG 4.28Å; K584-E589 VanDerWaalsContact CE-CD 3.47Å; K584-E589 WeakPolarHBondContact CE-OE1 3.48Å; K584-E589 IonicContact NZ-OE1 2.64Å; K584-E589 PolarHBondContact NZ-OE1 3.39Å; K584-E589 IonicContact NZ-OE2 2.63Å; K584-E589 PolarHBondContact NZ-OE2 2.97Å
585	K	80.9	Confident	83.3	Confident	102 Å²	102	64.9 Å²	64.9	44%	0.443	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	109.9	173.1	177.2	160.5	166.8	156.1	0	109.6	E540 Y557 L566	E540-K585 VanDerWaalsContact CD-NZ 3.27Å; E540-K585 IonicContact OE1-NZ 2.95Å; E540-K585 PolarHBondContact OE1-NZ 3.23Å; E540-K585 IonicContact OE2-NZ 2.7Å; Y557-K585 HydrophobicContact CD2-CD 4.41Å; Y557-K585 HydrophobicContact CD2-CG 3.88Å; Y557-K585 HydrophobicContact CE2-CD 3.85Å; Y557-K585 HydrophobicContact CE2-CG 3.82Å; Y557-K585 HydrophobicContact CG-CG 4.44Å; Y557-K585 VanDerWaalsContact CZ-CE 3.43Å; Y557-K585 WeakPolarHBondContact OH-CE 2.84Å; Y557-K585 PolarHBondContact OH-NZ 3.43Å; L566-K585 HydrophobicContact CD1-CB 4.23Å; L566-K585 HydrophobicContact CD2-CB 4.08Å; L566-K585 HydrophobicContact CD2-CG 4.4Å
586	G	77.9	Confident	83.3	Confident	59 Å²	59	67 Å²	67	61%	0.608	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	12.7	-178	0	0	0	0	0	116.5	K584	K584-G586 PolarHBondContact O-N 3.18Å
587	G	83.5	Confident	83.2	Confident	19 Å²	19	70.1 Å²	70.1	20%	0.196	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	-149.8	176.3	0	0	0	0	0	114.3	N569 N583 K584	N569-G587 WeakPolarHBondContact ND2-CA 3.49Å; N569-G587 PolarHBondContact ND2-O 2.8Å; N569-G587 VanDerWaalsContact ND2-O 3.07Å; N583-G587 PolarHBondContact OD1-O 3.43Å; K584-G587 CarbonylContact C-O 3.57Å; K584-G587 WeakPolarHBondContact CA-O 3.42Å; K584-G587 PolarHBondContact N-O 2.98Å; K584-G587 PolarHBondContact O-N 3.39Å
588	Y	85.5	Confident	83.2	Confident	92 Å²	92	70.6 Å²	70.6	36%	0.361	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	168.3	172.9	67.9	-88.7	0	0	0	110.8	N569 Q575 R582	N569-Y588 HydrophobicContact CB-CD1 3.97Å; Q575-Y588 HydrophobicContact CG-CE2 4.03Å; Q575-Y588 PolarHBondContact OE1-OH 2.69Å; R582-Y588 WeakPolarHBondContact O-CA 3.37Å
589	E	87.6	Confident	83	Confident	54 Å²	54	75.4 Å²	75.4	25%	0.252	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151	163.3	73.1	-166.1	154.5	0	0	110.7	R582 K584	R582-E589 HydrophobicContact CB-CG 4.16Å; R582-E589 IonicContact CZ-OE1 3.16Å; R582-E589 PolarHBondContact N-O 3.45Å; R582-E589 IonicContact NE-OE1 2.8Å; R582-E589 PolarHBondContact NE-OE1 2.85Å; R582-E589 IonicContact NH2-OE1 2.69Å; R582-E589 PolarHBondContact NH2-OE1 2.94Å; R582-E589 PolarHBondContact O-N 2.8Å; K584-E589 HydrophobicContact CD-CG 4.28Å; K584-E589 VanDerWaalsContact CE-CD 3.47Å; K584-E589 WeakPolarHBondContact CE-OE1 3.48Å; K584-E589 IonicContact NZ-OE1 2.64Å; K584-E589 PolarHBondContact NZ-OE1 3.39Å; K584-E589 IonicContact NZ-OE2 2.63Å; K584-E589 PolarHBondContact NZ-OE2 2.97Å
590	C	88.3	Confident	82.9	Confident	20 Å²	20	76.6 Å²	76.6	14%	0.135	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.5	173.4	-56.2	0	0	0	0	109.9	C576 K599 C601	C576-C590 WeakPolarHBondContact CA-SG 3.01Å; C576-C590 HydrophobicContact CB-CB 3.61Å; C576-C590 WeakPolarHBondContact CB-SG 3.17Å; C576-C590 VanDerWaalsContact SG-CA 3.5Å; C576-C590 WeakPolarHBondContact SG-CB 3.45Å; C576-C590 CovalentContact SG-SG 2.03Å; C576-C590 PolarHBondContact SG-SG 2.04Å; C590-K599 PolarHBondContact SG-O 3.45Å; C590-C601 VanDerWaalsContact CB-SG 3.56Å
591	I	85.7	Confident	82.8	Confident	72 Å²	72	69.1 Å²	69.1	37%	0.369	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	110.9	169.4	-55.4	178.7	0	0	0	106.3	G579 Y580 R582	G579-I591 CarbonylContact C-O 3.59Å; G579-I591 WeakPolarHBondContact CA-O 3Å; Y580-I591 HydrophobicContact CD1-CD1 4.43Å; Y580-I591 PolarHBondContact N-O 3.01Å; Y580-I591 PolarHBondContact O-N 3.44Å; R582-I591 HydrophobicContact CB-CD1 4.2Å
592	C	85	Confident	82.6	Confident	42 Å²	42	74.4 Å²	74.4	28%	0.284	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	144.1	-173.7	-52.3	0	0	0	0	112.4	Y596 C601	C592-Y596 VanDerWaalsContact CB-O 3.27Å; C592-Y596 WeakPolarHBondContact CB-O 3.18Å; C592-C601 WeakPolarHBondContact CA-SG 3.23Å; C592-C601 HydrophobicContact CB-CB 3.57Å; C592-C601 WeakPolarHBondContact CB-SG 3.48Å; C592-C601 PolarHBondContact N-SG 3.25Å; C592-C601 VanDerWaalsContact N-SG 3.37Å; C592-C601 VanDerWaalsContact SG-CA 3.59Å; C592-C601 WeakPolarHBondContact SG-CB 3.25Å; C592-C601 CovalentContact SG-SG 2.03Å; C592-C601 PolarHBondContact SG-SG 3.15Å
593	D	83.2	Confident	82.2	Confident	84 Å²	84	72.6 Å²	72.6	45%	0.449	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-70.2	159.1	170.7	-59.2	-44.1	0	0	0	110.5	Q578 G579 G595 Y596	Q578-D593 PolarHBondContact O-N 2.82Å; Q578-D593 VanDerWaalsContact O-N 3.1Å; G579-D593 WeakPolarHBondContact CA-OD2 3.03Å; G579-D593 PolarHBondContact N-OD2 3.08Å; G579-D593 VanDerWaalsContact N-OD2 3.11Å; D593-G595 PolarHBondContact O-N 2.84Å; D593-Y596 PolarHBondContact O-N 3.19Å
594	E	78.5	Confident	81.8	Confident	198 Å²	198	75 Å²	75	93%	0.925	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	128.4	-178.5	-67.3	-166	157.9	0	0	111.3
595	G	74.2	Confident	81.3	Confident	11 Å²	11	74 Å²	74	11%	0.113	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	0.6	-172.8	0	0	0	0	0	115.2	D593 K604 I605	D593-G595 PolarHBondContact O-N 2.84Å; G595-K604 CarbonylContact O-C 3.22Å; G595-K604 WeakPolarHBondContact O-CA 3.27Å; G595-I605 PolarHBondContact O-N 2.8Å
596	Y	82.8	Confident	80.7	Confident	66 Å²	66	73.6 Å²	73.6	26%	0.259	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.4	175.9	-66.7	-85.6	0	0	0	113.8	Q578 C592 D593 T603 K604	Q578-Y596 HydrophobicContact CB-CD1 3.88Å; Q578-Y596 HydrophobicContact CB-CD2 3.54Å; Q578-Y596 HydrophobicContact CB-CE1 4.03Å; Q578-Y596 HydrophobicContact CB-CE2 3.7Å; Q578-Y596 HydrophobicContact CB-CG 3.63Å; Q578-Y596 HydrophobicContact CG-CD1 4.21Å; Q578-Y596 HydrophobicContact CG-CD2 4.24Å; Q578-Y596 HydrophobicContact CG-CE1 3.86Å; Q578-Y596 HydrophobicContact CG-CE2 3.89Å; Q578-Y596 HydrophobicContact CG-CG 4.39Å; C592-Y596 VanDerWaalsContact CB-O 3.27Å; C592-Y596 WeakPolarHBondContact CB-O 3.18Å; D593-Y596 PolarHBondContact O-N 3.19Å; Y596-T603 CarbonylContact C-O 3.36Å; Y596-T603 WeakPolarHBondContact CA-O 3.34Å; Y596-K604 HydrophobicContact CD1-CB 4.27Å; Y596-K604 HydrophobicContact CE1-CB 4.02Å; Y596-K604 HydrophobicContact CE1-CG 4.24Å
597	T	80.1	Confident	80.2	Confident	68 Å²	68	73.8 Å²	73.8	42%	0.417	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	174.9	-174.7	-169.2	0	0	0	0	112.8	C601 T603 I605	T597-C601 WeakPolarHBondContact O-CA 3.28Å; T597-T603 HydrophobicContact CG2-CG2 4.04Å; T597-T603 PolarHBondContact N-O 2.87Å; T597-T603 WeakPolarHBondContact O-CB 3.04Å; T597-T603 PolarHBondContact O-N 3.3Å; T597-I605 HydrophobicContact CG2-CG1 3.86Å
598	G	81.4	Confident	79.7	Confident	40 Å²	40	74 Å²	74	41%	0.412	38%	0.377	S	S	.	.	S	Bend	trans	84.6	161.9	-175	0	0	0	0	0	113.3	S600 C601	G598-S600 PolarHBondContact O-N 3.26Å; G598-C601 PolarHBondContact O-N 3.22Å
599	K	80.7	Confident	79.1	Confident	201 Å²	201	73.1 Å²	73.1	87%	0.874	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-11.5	-171.7	-66.7	-171.8	176.4	-174.1	0	116.3	C590	C590-K599 PolarHBondContact SG-O 3.45Å
600	S	82.4	Confident	78.3	Confident	44 Å²	44	78.3 Å²	78.3	31%	0.308	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	16.8	-178.1	-54.3	0	0	0	0	112.5	Q575 C576 G598 K602	Q575-S600 WeakPolarHBondContact O-CB 3.35Å; C576-S600 CarbonylContact C-O 3.57Å; C576-S600 VanDerWaalsContact O-O 3.07Å; G598-S600 PolarHBondContact O-N 3.26Å; S600-K602 WeakPolarHBondContact O-CG 3.02Å; S600-K602 PolarHBondContact O-N 2.78Å
601	C	83.1	Confident	77.4	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	42%	0.42	C	S	.	.	S	Bend	trans	42	43.2	177.6	-40.8	0	0	0	0	114.9	C576 Q578 C590 C592 T597 G598	C576-C601 VanDerWaalsContact O-CB 3.28Å; C576-C601 WeakPolarHBondContact O-CB 3.35Å; Q578-C601 PolarHBondContact N-O 3.11Å; Q578-C601 WeakPolarHBondContact O-CB 3.04Å; C590-C601 VanDerWaalsContact CB-SG 3.56Å; C592-C601 WeakPolarHBondContact CA-SG 3.23Å; C592-C601 HydrophobicContact CB-CB 3.57Å; C592-C601 WeakPolarHBondContact CB-SG 3.48Å; C592-C601 PolarHBondContact N-SG 3.25Å; C592-C601 VanDerWaalsContact N-SG 3.37Å; C592-C601 VanDerWaalsContact SG-CA 3.59Å; C592-C601 WeakPolarHBondContact SG-CB 3.25Å; C592-C601 CovalentContact SG-SG 2.03Å; C592-C601 PolarHBondContact SG-SG 3.15Å; T597-C601 WeakPolarHBondContact O-CA 3.28Å; G598-C601 PolarHBondContact O-N 3.22Å
602	K	82.6	Confident	77	Confident	131 Å²	131	82.8 Å²	82.8	57%	0.57	44%	0.437	S	S	*	.			trans	-106.7	-6.3	178.6	-80.4	155.6	-175.8	164.5	0	112.7	N574 Q575 S600	N574-K602 VanDerWaalsContact O-CE 3.25Å; N574-K602 WeakPolarHBondContact O-CE 3.31Å; N574-K602 PolarHBondContact O-NZ 3.16Å; Q575-K602 PolarHBondContact O-NZ 3.37Å; S600-K602 WeakPolarHBondContact O-CG 3.02Å; S600-K602 PolarHBondContact O-N 2.78Å
603	T	79.4	Confident	76.6	Confident	84 Å²	84	81.9 Å²	81.9	52%	0.515	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.5	174.9	-54.2	0	0	0	0	108.4	Y596 T597	Y596-T603 CarbonylContact C-O 3.36Å; Y596-T603 WeakPolarHBondContact CA-O 3.34Å; T597-T603 HydrophobicContact CG2-CG2 4.04Å; T597-T603 PolarHBondContact N-O 2.87Å; T597-T603 WeakPolarHBondContact O-CB 3.04Å; T597-T603 PolarHBondContact O-N 3.3Å
604	K	72.8	Confident	76.3	Confident	93 Å²	93	85 Å²	85	40%	0.404	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.3	170.3	-168.4	166.6	175	175	0	109	G595 Y596 D606 D623	G595-K604 CarbonylContact O-C 3.22Å; G595-K604 WeakPolarHBondContact O-CA 3.27Å; Y596-K604 HydrophobicContact CD1-CB 4.27Å; Y596-K604 HydrophobicContact CE1-CB 4.02Å; Y596-K604 HydrophobicContact CE1-CG 4.24Å; K604-D606 PolarHBondContact O-N 2.03Å; K604-D623 IonicContact NZ-OD1 2.71Å; K604-D623 PolarHBondContact NZ-OD1 3.13Å; K604-D623 IonicContact NZ-OD2 2.73Å; K604-D623 PolarHBondContact NZ-OD2 3.27Å
605	I	71	Confident	76.1	Confident	73 Å²	73	79.8 Å²	79.8	37%	0.374	41%	0.414	S	S	.	.			trans	-69	115.3	178.3	-66.1	173.8	0	0	0	108.3	G595 T597 R607	G595-I605 PolarHBondContact O-N 2.8Å; T597-I605 HydrophobicContact CG2-CG1 3.86Å; I605-R607 HydrophobicContact CG2-CG 4.33Å; I605-R607 PolarHBondContact O-N 3.02Å
606	D	69.5	Low	76.2	Confident	95 Å²	95	82.6 Å²	82.6	51%	0.508	44%	0.443	S	S	.	.			trans	-73.4	95.6	167.8	-176.8	-3	0	0	0	109	K604 C608 A609	K604-D606 PolarHBondContact O-N 2.03Å; D606-C608 PolarHBondContact O-N 3.37Å; D606-C608 VanDerWaalsContact O-N 3.16Å; D606-C608 WeakPolarHBondContact OD1-CA 3.08Å; D606-C608 WeakPolarHBondContact OD1-CB 3.47Å; D606-C608 PolarHBondContact OD1-N 2.03Å; D606-A609 HydrophobicContact CB-CB 4.3Å; D606-A609 WeakPolarHBondContact O-CB 3.46Å; D606-A609 PolarHBondContact O-N 3.39Å; D606-A609 VanDerWaalsContact O-N 3.15Å
607	R	67.9	Low	76.1	Confident	62 Å²	62	80.1 Å²	80.1	23%	0.234	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.8	177.3	-66.7	-170.5	-179.8	91.9	-3.8	113.1	I605 I611 N622 D623 E624 Y626	I605-R607 HydrophobicContact CG2-CG 4.33Å; I605-R607 PolarHBondContact O-N 3.02Å; R607-I611 WeakPolarHBondContact O-CD1 3.25Å; R607-I611 WeakPolarHBondContact O-CG1 3.39Å; R607-N622 PolarHBondContact NH1-O 2.86Å; R607-D623 PolarHBondContact NH1-O 2.88Å; R607-D623 PolarHBondContact NH2-O 2.75Å; R607-E624 PolarHBondContact NE-O 3.01Å; R607-E624 PolarHBondContact NH2-O 3.27Å; R607-E624 VanDerWaalsContact NH2-O 3.1Å; R607-Y626 HydrophobicContact CB-CD1 4.19Å
608	C	73	Confident	76.3	Confident	24 Å²	24	80.4 Å²	80.4	16%	0.162	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.5	175.4	-71.8	0	0	0	0	113.8	D606 D610 I611 C619	D606-C608 PolarHBondContact O-N 3.37Å; D606-C608 VanDerWaalsContact O-N 3.16Å; D606-C608 WeakPolarHBondContact OD1-CA 3.08Å; D606-C608 WeakPolarHBondContact OD1-CB 3.47Å; D606-C608 PolarHBondContact OD1-N 2.03Å; C608-D610 VanDerWaalsContact C-N 3.31Å; C608-D610 PolarHBondContact O-N 3.37Å; C608-I611 PolarHBondContact O-N 2.94Å; C608-I611 VanDerWaalsContact O-N 3.11Å; C608-C619 VanDerWaalsContact CA-SG 3.57Å; C608-C619 HydrophobicContact CB-CB 3.73Å; C608-C619 WeakPolarHBondContact CB-SG 3.29Å; C608-C619 WeakPolarHBondContact SG-CB 3.04Å; C608-C619 CovalentContact SG-SG 2.04Å; C608-C619 PolarHBondContact SG-SG 3.02Å
609	A	72.9	Confident	76.4	Confident	73 Å²	73	80 Å²	80	60%	0.603	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.9	-171.9	0	0	0	0	0	114.5	D606	D606-A609 HydrophobicContact CB-CB 4.3Å; D606-A609 WeakPolarHBondContact O-CB 3.46Å; D606-A609 PolarHBondContact O-N 3.39Å; D606-A609 VanDerWaalsContact O-N 3.15Å
610	D	69.3	Low	76.4	Confident	164 Å²	164	73.4 Å²	73.4	88%	0.877	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	14.4	178.6	-68.9	-48.3	0	0	0	113	C608	C608-D610 VanDerWaalsContact C-N 3.31Å; C608-D610 PolarHBondContact O-N 3.37Å
611	I	70.8	Confident	75.8	Confident	32 Å²	32	73.9 Å²	73.9	16%	0.164	41%	0.413	C	S	.	.			trans	-117.8	100.3	-165.8	-56.4	-163.4	0	0	0	113.5	R607 C608 C613 Y626 Y638	R607-I611 WeakPolarHBondContact O-CD1 3.25Å; R607-I611 WeakPolarHBondContact O-CG1 3.39Å; C608-I611 PolarHBondContact O-N 2.94Å; C608-I611 VanDerWaalsContact O-N 3.11Å; I611-C613 PolarHBondContact O-N 3.48Å; I611-Y626 HydrophobicContact CD1-CD1 3.64Å; I611-Y626 HydrophobicContact CD1-CD2 3.42Å; I611-Y626 VanDerWaalsContact CD1-CD2 3.42Å; I611-Y626 HydrophobicContact CD1-CE1 3.56Å; I611-Y626 HydrophobicContact CD1-CE2 3.34Å; I611-Y626 HydrophobicContact CD1-CG 3.57Å; I611-Y626 VanDerWaalsContact CD1-CZ 3.4Å; I611-Y626 HydrophobicContact CG2-CD2 4.41Å; I611-Y626 HydrophobicContact CG2-CE2 4.38Å; I611-Y638 HydrophobicContact CG2-CD1 3.92Å; I611-Y638 HydrophobicContact CG2-CE1 3.93Å
612	E	76.1	Confident	75	Confident	154 Å²	154	78.9 Å²	78.9	72%	0.72	44%	0.44	S	S	*	.			trans	-80.8	89.9	170.8	-66	-170.8	156.5	0	0	112.1	R614	E612-R614 PolarHBondContact O-N 3.43Å
613	C	76.9	Confident	74	Confident	23 Å²	23	78 Å²	78	16%	0.155	44%	0.441	C	S	.	.			trans	-62.3	120.7	163.8	-57.1	0	0	0	0	109.9	I611 G617 C619 C628	I611-C613 PolarHBondContact O-N 3.48Å; C613-G617 WeakPolarHBondContact CB-O 3.08Å; C613-C619 VanDerWaalsContact SG-CA 3.57Å; C613-C619 VanDerWaalsContact SG-CB 3.53Å; C613-C619 PolarHBondContact SG-N 2.98Å; C613-C619 VanDerWaalsContact SG-N 3.45Å; C613-C628 VanDerWaalsContact CA-SG 3.55Å; C613-C628 HydrophobicContact CB-CB 3.78Å; C613-C628 WeakPolarHBondContact CB-SG 3.37Å; C613-C628 VanDerWaalsContact SG-CA 3.51Å; C613-C628 WeakPolarHBondContact SG-CB 3.33Å; C613-C628 CovalentContact SG-SG 2.03Å; C613-C628 PolarHBondContact SG-SG 2.91Å
614	R	76.9	Confident	73.2	Confident	150 Å²	150	82.3 Å²	82.3	57%	0.566	46%	0.456	S	S	*	.	S	Bend	trans	-82.1	170.7	-173.9	-64.5	-171.5	168.5	-166.4	-5.7	112	E612 G616 G617 Y638 C639	E612-R614 PolarHBondContact O-N 3.43Å; R614-G616 PolarHBondContact O-N 2.78Å; R614-G617 PolarHBondContact O-N 3.27Å; R614-Y638 WeakPolarHBondContact CB-O 3.33Å; R614-Y638 PolarHBondContact N-O 3.4Å; R614-C639 WeakPolarHBondContact O-CB 3.24Å
615	N	74.2	Confident	72.8	Confident	87 Å²	87	81.9 Å²	81.9	47%	0.465	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	24.1	175.1	-58.9	-45.7	0	0	0	115.6	T634 C639	N615-T634 HydrophobicContact CB-CG2 3.81Å; N615-C639 PolarHBondContact ND2-O 2.98Å
616	G	76	Confident	73	Confident	70 Å²	70	80.6 Å²	80.6	72%	0.722	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	17.1	-179	0	0	0	0	0	115.1	R614	R614-G616 PolarHBondContact O-N 2.78Å
617	G	80.7	Confident	73.5	Confident	14 Å²	14	79.4 Å²	79.4	14%	0.144	45%	0.445	C	S	.	.			trans	-65.1	151.7	169.8	0	0	0	0	0	113	C613 R614 N629	C613-G617 WeakPolarHBondContact CB-O 3.08Å; R614-G617 PolarHBondContact O-N 3.27Å; G617-N629 VanDerWaalsContact CA-O 3.24Å; G617-N629 WeakPolarHBondContact CA-O 3.43Å
618	S	85.2	Confident	74.2	Confident	75 Å²	75	77 Å²	77	52%	0.524	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.6	178.9	-172.7	0	0	0	0	111	N629	S618-N629 PolarHBondContact N-O 3.28Å; S618-N629 WeakPolarHBondContact O-CB 3.46Å; S618-N629 PolarHBondContact O-N 3.43Å; S618-N629 PolarHBondContact O-ND2 2.95Å
619	C	83.5	Confident	74.7	Confident	31 Å²	31	79.7 Å²	79.7	21%	0.209	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138.5	174	-165	0	0	0	0	110.8	C608 C613	C608-C619 VanDerWaalsContact CA-SG 3.57Å; C608-C619 HydrophobicContact CB-CB 3.73Å; C608-C619 WeakPolarHBondContact CB-SG 3.29Å; C608-C619 WeakPolarHBondContact SG-CB 3.04Å; C608-C619 CovalentContact SG-SG 2.04Å; C608-C619 PolarHBondContact SG-SG 3.02Å; C613-C619 VanDerWaalsContact SG-CA 3.57Å; C613-C619 VanDerWaalsContact SG-CB 3.53Å; C613-C619 PolarHBondContact SG-N 2.98Å; C613-C619 VanDerWaalsContact SG-N 3.45Å
620	T	80.5	Confident	75.1	Confident	62 Å²	62	78.5 Å²	78.5	38%	0.38	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	124.2	166.4	50.4	0	0	0	0	109.1	T627 N629	T620-T627 PolarHBondContact N-O 3.37Å; T620-T627 PolarHBondContact O-N 3.26Å; T620-T627 PolarHBondContact OG1-O 2.77Å; T620-N629 WeakPolarHBondContact CG2-ND2 3.46Å; T620-N629 PolarHBondContact OG1-ND2 2.96Å
621	S	70.1	Confident	75.6	Confident	54 Å²	54	73.3 Å²	73.3	38%	0.378	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.8	176.4	57.1	0	0	0	0	111.4
622	N	66.2	Low	76	Confident	105 Å²	105	82.3 Å²	82.3	56%	0.561	45%	0.45	S	S	*	.			trans	-98.8	178.4	168.7	-67.9	-23.1	0	0	0	110.1	R607 E624 D625	R607-N622 PolarHBondContact NH1-O 2.86Å; N622-E624 VanDerWaalsContact C-N 3.26Å; N622-E624 PolarHBondContact O-N 3.11Å; N622-D625 WeakPolarHBondContact CA-O 3.03Å; N622-D625 PolarHBondContact N-O 3.1Å
623	D	61.4	Low	75.7	Confident	112 Å²	112	77.5 Å²	77.5	60%	0.599	44%	0.442	S	S	*	.	S	Bend	trans	-63.6	-28.5	-174.7	-75.3	41.5	0	0	0	113.6	K604 R607	K604-D623 IonicContact NZ-OD1 2.71Å; K604-D623 PolarHBondContact NZ-OD1 3.13Å; K604-D623 IonicContact NZ-OD2 2.73Å; K604-D623 PolarHBondContact NZ-OD2 3.27Å; R607-D623 PolarHBondContact NH1-O 2.88Å; R607-D623 PolarHBondContact NH2-O 2.75Å
624	E	62.2	Low	75.8	Confident	175 Å²	175	77.8 Å²	77.8	82%	0.818	44%	0.443	S	S	*	.	S	Bend	trans	-108.5	-32.1	-179.7	-64.3	-179.9	160.6	0	0	114.1	R607 N622	R607-E624 PolarHBondContact NE-O 3.01Å; R607-E624 PolarHBondContact NH2-O 3.27Å; R607-E624 VanDerWaalsContact NH2-O 3.1Å; N622-E624 VanDerWaalsContact C-N 3.26Å; N622-E624 PolarHBondContact O-N 3.11Å
625	D	65.6	Low	75.7	Confident	85 Å²	85	76.2 Å²	76.2	46%	0.455	45%	0.446	S	S	.	.			trans	-148.4	174.3	-171.7	-159.2	5.2	0	0	0	112.7	N622	N622-D625 WeakPolarHBondContact CA-O 3.03Å; N622-D625 PolarHBondContact N-O 3.1Å
626	Y	74.7	Confident	75.9	Confident	45 Å²	45	73 Å²	73	18%	0.176	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	162.9	172.3	62.6	-89.5	0	0	0	112.1	R607 I611 F637 Y638	R607-Y626 HydrophobicContact CB-CD1 4.19Å; I611-Y626 HydrophobicContact CD1-CD1 3.64Å; I611-Y626 HydrophobicContact CD1-CD2 3.42Å; I611-Y626 VanDerWaalsContact CD1-CD2 3.42Å; I611-Y626 HydrophobicContact CD1-CE1 3.56Å; I611-Y626 HydrophobicContact CD1-CE2 3.34Å; I611-Y626 HydrophobicContact CD1-CG 3.57Å; I611-Y626 VanDerWaalsContact CD1-CZ 3.4Å; I611-Y626 HydrophobicContact CG2-CD2 4.41Å; I611-Y626 HydrophobicContact CG2-CE2 4.38Å; Y626-F637 HydrophobicContact CE2-CD1 4.35Å; Y626-F637 AromaticContact CE2-CE1 3.56Å; Y626-F637 HydrophobicContact CE2-CE1 3.56Å; Y626-F637 HydrophobicContact CE2-CZ 4.29Å; Y626-F637 AromaticContact CZ-CE1 3.8Å; Y626-Y638 HydrophobicContact CE2-CE1 4.15Å; Y626-Y638 PolarHBondContact OH-OH 2.78Å
627	T	80.1	Confident	76	Confident	70 Å²	70	75.3 Å²	75.3	43%	0.429	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	131	175.7	-53	0	0	0	0	110.8	T620	T620-T627 PolarHBondContact N-O 3.37Å; T620-T627 PolarHBondContact O-N 3.26Å; T620-T627 PolarHBondContact OG1-O 2.77Å
628	C	82.3	Confident	75.9	Confident	11 Å²	11	78.9 Å²	78.9	7%	0.074	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.3	168.3	-73.4	0	0	0	0	110.3	C613 C630	C613-C628 VanDerWaalsContact CA-SG 3.55Å; C613-C628 HydrophobicContact CB-CB 3.78Å; C613-C628 WeakPolarHBondContact CB-SG 3.37Å; C613-C628 VanDerWaalsContact SG-CA 3.51Å; C613-C628 WeakPolarHBondContact SG-CB 3.33Å; C613-C628 CovalentContact SG-SG 2.03Å; C613-C628 PolarHBondContact SG-SG 2.91Å; C628-C630 PolarHBondContact O-N 3.45Å
629	N	83.4	Confident	75.6	Confident	82 Å²	82	75.3 Å²	75.3	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	105.7	176.4	-62.8	-88.3	0	0	0	109.6	G617 S618 T620	G617-N629 VanDerWaalsContact CA-O 3.24Å; G617-N629 WeakPolarHBondContact CA-O 3.43Å; S618-N629 PolarHBondContact N-O 3.28Å; S618-N629 WeakPolarHBondContact O-CB 3.46Å; S618-N629 PolarHBondContact O-N 3.43Å; S618-N629 PolarHBondContact O-ND2 2.95Å; T620-N629 WeakPolarHBondContact CG2-ND2 3.46Å; T620-N629 PolarHBondContact OG1-ND2 2.96Å
630	C	81.3	Confident	75.4	Confident	48 Å²	48	78 Å²	78	32%	0.324	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-86.1	136	-171.3	-53.3	0	0	0	0	113.5	C628 C639	C628-C630 PolarHBondContact O-N 3.45Å; C630-C639 WeakPolarHBondContact CA-SG 3.41Å; C630-C639 HydrophobicContact CB-CB 3.75Å; C630-C639 WeakPolarHBondContact CB-SG 3.33Å; C630-C639 WeakPolarHBondContact SG-CA 3.02Å; C630-C639 WeakPolarHBondContact SG-CB 3.02Å; C630-C639 CovalentContact SG-SG 2.04Å; C630-C639 PolarHBondContact SG-SG 3.38Å
631	P	80.2	Confident	75	Confident	54 Å²	54	79.5 Å²	79.5	35%	0.351	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-69	153.9	171.6	28.4	-34.2	0	0	0	111.9	G633 T634	P631-G633 PolarHBondContact O-N 2.04Å; P631-T634 WeakPolarHBondContact CD-OG1 3.44Å; P631-T634 PolarHBondContact O-N 2.88Å; P631-T634 VanDerWaalsContact O-N 3.08Å; P631-T634 PolarHBondContact O-OG1 3.06Å
632	K	77.9	Confident	74.7	Confident	222 Å²	222	80.1 Å²	80.1	97%	0.965	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	130.2	-177.9	-72.1	-172.3	175.2	-175.4	0	112.2
633	G	71.1	Confident	74.3	Confident	52 Å²	52	82 Å²	82	54%	0.536	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	4	-175.1	0	0	0	0	0	114	P631 D643	P631-G633 PolarHBondContact O-N 2.04Å; G633-D643 PolarHBondContact O-N 3.37Å
634	T	78.3	Confident	73.6	Confident	29 Å²	29	83.9 Å²	83.9	18%	0.178	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.1	171.2	65.7	0	0	0	0	111	N615 P631 I641 T642	N615-T634 HydrophobicContact CB-CG2 3.81Å; P631-T634 WeakPolarHBondContact CD-OG1 3.44Å; P631-T634 PolarHBondContact O-N 2.88Å; P631-T634 VanDerWaalsContact O-N 3.08Å; P631-T634 PolarHBondContact O-OG1 3.06Å; T634-I641 CarbonylContact C-O 3.6Å; T634-I641 WeakPolarHBondContact CA-O 3.44Å; T634-T642 HydrophobicContact CG2-CG2 4.25Å
635	D	75.7	Confident	72.7	Confident	118 Å²	118	79.4 Å²	79.4	63%	0.631	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	179.1	-176	-162.2	-1.8	0	0	0	109.1	C639 E640 I641	D635-C639 CarbonylContact O-C 3.58Å; D635-C639 VanDerWaalsContact O-C 3.22Å; D635-C639 WeakPolarHBondContact O-CA 3.28Å; D635-E640 PolarHBondContact O-N 3.17Å; D635-I641 HydrophobicContact CB-CB 4.41Å; D635-I641 PolarHBondContact N-O 2.03Å; D635-I641 WeakPolarHBondContact O-CA 3.21Å; D635-I641 VanDerWaalsContact O-CB 3.29Å; D635-I641 WeakPolarHBondContact O-CB 3.43Å; D635-I641 PolarHBondContact O-N 3.02Å
636	G	76.9	Confident	71.2	Confident	18 Å²	18	83.6 Å²	83.6	19%	0.186	47%	0.465	C	S	.	.	S	Bend	trans	93	163.8	-174.7	0	0	0	0	0	113.1	Y638 C639 E640	G636-Y638 VanDerWaalsContact C-N 3.27Å; G636-Y638 PolarHBondContact O-N 3.25Å; G636-C639 PolarHBondContact O-N 3Å; G636-E640 VanDerWaalsContact C-OE2 3.3Å; G636-E640 WeakPolarHBondContact CA-OE1 3.03Å
637	F	78.7	Confident	69.3	Low	119 Å²	119	87.5 Å²	87.5	52%	0.522	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.2	-165	-162.9	-98.9	0	0	0	113.4	Y626 E640	Y626-F637 HydrophobicContact CE2-CD1 4.35Å; Y626-F637 AromaticContact CE2-CE1 3.56Å; Y626-F637 HydrophobicContact CE2-CE1 3.56Å; Y626-F637 HydrophobicContact CE2-CZ 4.29Å; Y626-F637 AromaticContact CZ-CE1 3.8Å; F637-E640 PolarHBondContact N-OE1 3.15Å; F637-E640 PolarHBondContact N-OE2 2.73Å; F637-E640 VanDerWaalsContact N-OE2 3.13Å
638	Y	79.2	Confident	67.1	Low	90 Å²	90	89.4 Å²	89.4	35%	0.353	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	22.8	172.5	-54.9	-87	0	0	0	111.4	I611 R614 Y626 G636 E640	I611-Y638 HydrophobicContact CG2-CD1 3.92Å; I611-Y638 HydrophobicContact CG2-CE1 3.93Å; R614-Y638 WeakPolarHBondContact CB-O 3.33Å; R614-Y638 PolarHBondContact N-O 3.4Å; Y626-Y638 HydrophobicContact CE2-CE1 4.15Å; Y626-Y638 PolarHBondContact OH-OH 2.78Å; G636-Y638 VanDerWaalsContact C-N 3.27Å; G636-Y638 PolarHBondContact O-N 3.25Å; Y638-E640 VanDerWaalsContact C-OE2 3.31Å; Y638-E640 VanDerWaalsContact CA-OE2 3.31Å; Y638-E640 WeakPolarHBondContact CA-OE2 3.5Å; Y638-E640 PolarHBondContact N-OE2 2.04Å; Y638-E640 PolarHBondContact O-N 2.87Å
639	C	79.7	Confident	64.9	Low	0 Å²	0	98.2 Å²	98.2	0%	0	55%	0.545	C	S	.	.	S	Bend	trans	57.4	28	-173	-44.4	0	0	0	0	113.9	R614 N615 C630 D635 G636	R614-C639 WeakPolarHBondContact O-CB 3.24Å; N615-C639 PolarHBondContact ND2-O 2.98Å; C630-C639 WeakPolarHBondContact CA-SG 3.41Å; C630-C639 HydrophobicContact CB-CB 3.75Å; C630-C639 WeakPolarHBondContact CB-SG 3.33Å; C630-C639 WeakPolarHBondContact SG-CA 3.02Å; C630-C639 WeakPolarHBondContact SG-CB 3.02Å; C630-C639 CovalentContact SG-SG 2.04Å; C630-C639 PolarHBondContact SG-SG 3.38Å; D635-C639 CarbonylContact O-C 3.58Å; D635-C639 VanDerWaalsContact O-C 3.22Å; D635-C639 WeakPolarHBondContact O-CA 3.28Å; G636-C639 PolarHBondContact O-N 3Å
640	E	78.2	Confident	62.6	Low	87 Å²	87	101 Å²	101	41%	0.407	56%	0.558	S	S	.	*			trans	-74.1	-21.9	-173.4	70.3	-76.3	178.6	0	0	114.3	D635 G636 F637 Y638	D635-E640 PolarHBondContact O-N 3.17Å; G636-E640 VanDerWaalsContact C-OE2 3.3Å; G636-E640 WeakPolarHBondContact CA-OE1 3.03Å; F637-E640 PolarHBondContact N-OE1 3.15Å; F637-E640 PolarHBondContact N-OE2 2.73Å; F637-E640 VanDerWaalsContact N-OE2 3.13Å; Y638-E640 VanDerWaalsContact C-OE2 3.31Å; Y638-E640 VanDerWaalsContact CA-OE2 3.31Å; Y638-E640 WeakPolarHBondContact CA-OE2 3.5Å; Y638-E640 PolarHBondContact N-OE2 2.04Å; Y638-E640 PolarHBondContact O-N 2.87Å
641	I	72.4	Confident	60.3	Low	93 Å²	93	105.7 Å²	105.7	48%	0.477	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88	127.8	-179.2	-48.6	177	0	0	0	108.5	T634 D635	T634-I641 CarbonylContact C-O 3.6Å; T634-I641 WeakPolarHBondContact CA-O 3.44Å; D635-I641 HydrophobicContact CB-CB 4.41Å; D635-I641 PolarHBondContact N-O 2.03Å; D635-I641 WeakPolarHBondContact O-CA 3.21Å; D635-I641 VanDerWaalsContact O-CB 3.29Å; D635-I641 WeakPolarHBondContact O-CB 3.43Å; D635-I641 PolarHBondContact O-N 3.02Å
642	T	64.1	Low	58.5	Low	68 Å²	68	112.3 Å²	112.3	42%	0.417	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.5	146.4	164.9	64.2	0	0	0	0	108.4	T634 N644	T634-T642 HydrophobicContact CG2-CG2 4.25Å; T642-N644 PolarHBondContact O-N 2.9Å
643	D	56.4	Low	57	Low	145 Å²	145	110.5 Å²	110.5	78%	0.775	59%	0.585	S	S	*	*	S	Bend	trans	-75.7	43.4	-172.2	-159.2	17.1	0	0	0	113.8	G633	G633-D643 PolarHBondContact O-N 3.37Å
644	N	47.7	Very low	56.2	Low	151 Å²	151	115.3 Å²	115.3	81%	0.807	60%	0.597	S	S	*	*	S	Bend	trans	-142.9	93.2	-178.3	-80.8	-63.5	0	0	0	111.3	T642	T642-N644 PolarHBondContact O-N 2.9Å
645	G	43.5	Very low	54.9	Low	80 Å²	80	120.4 Å²	120.4	83%	0.825	62%	0.622	S	S	*	*			trans	120.7	85.8	158.1	0	0	0	0	0	116.6
646	I	34.2	Very low	53.9	Low	173 Å²	173	120.1 Å²	120.1	89%	0.887	62%	0.621	S	S	*	*			trans	-73.9	122.9	157.5	-61.4	170.4	0	0	0	108.4
647	V	35.2	Very low	53	Low	128 Å²	128	127.2 Å²	127.2	78%	0.776	65%	0.646	S	S	*	*			trans	-174.6	115.8	140.7	140.7	0	0	0	0	112.4
648	V	32.1	Very low	51.9	Low	110 Å²	110	124.2 Å²	124.2	67%	0.667	64%	0.644	S	S	*	*			trans	32.5	115.1	144.3	-167.8	0	0	0	0	120.9	I650	V648-I650 HydrophobicContact CG1-CD1 4.06Å; V648-I650 HydrophobicContact CG1-CG1 3.95Å
649	Q	36	Very low	51.2	Low	196 Å²	196	123.1 Å²	123.1	92%	0.916	65%	0.649	S	S	*	*				-144.5	163.2	124.2	-86.1	-139.7	-23.4	0	0	110.8
650	I	35.8	Very low	50.3	Low	139 Å²	139	128.8 Å²	128.8	71%	0.713	68%	0.679	S	S	*	*			trans	-142.9	163.7	-161	-39.1	177.4	0	0	0	110.6	V648	V648-I650 HydrophobicContact CG1-CD1 4.06Å; V648-I650 HydrophobicContact CG1-CG1 3.95Å
651	E	33.5	Very low	49.5	Very low	148 Å²	148	131.6 Å²	131.6	69%	0.692	69%	0.69	S	S	*	*			trans	97.2	170	152.4	-59.6	-164.6	137.9	0	0	121.7
652	W	41.8	Very low	49	Very low	193 Å²	193	132.9 Å²	132.9	73%	0.731	70%	0.697	S	S	*	*	S	Bend	trans	88.5	-32.1	160.1	-62	96.4	0	0	0	122
653	K	46.2	Very low	48.9	Very low	184 Å²	184	132.3 Å²	132.3	80%	0.8	70%	0.699	S	S	*	*	H	α-helix	trans	-78.1	-26.9	-175.9	-78.1	-170.6	175.8	-179.1	0	116.7
654	I	54.7	Low	49.3	Very low	153 Å²	153	133.2 Å²	133.2	79%	0.785	69%	0.692	S	S	*	*	H	α-helix	trans	-78.8	-32.3	-169.1	-64.3	176	0	0	0	113.2
655	L	51.2	Low	50.1	Low	135 Å²	135	135.4 Å²	135.4	71%	0.707	69%	0.689	S	S	*	*	H	α-helix	trans	-73.9	-30.7	-176	-76.9	164.8	0	0	0	113.8	F657 A658 S659	L655-F657 PolarHBondContact O-N 3.38Å; L655-A658 PolarHBondContact O-N 3.28Å; L655-S659 PolarHBondContact O-N 3.1Å; L655-S659 PolarHBondContact O-OG 2.77Å
656	L	55.5	Low	50.9	Low	113 Å²	113	139.9 Å²	139.9	59%	0.592	69%	0.688	S	S	*	*	H	α-helix	trans	-66.4	-38.1	-177.8	-104.6	164.8	0	0	0	113.3	S659 L660	L656-S659 PolarHBondContact O-OG 2.98Å; L656-L660 PolarHBondContact O-N 2.78Å
657	F	56.7	Low	52.1	Low	166 Å²	166	139 Å²	139	73%	0.728	68%	0.684	S	S	*	*	H	α-helix	trans	-66.2	-39.7	178.1	-95.2	-91.6	0	0	0	112.4	L655 S659 L660 F661	L655-F657 PolarHBondContact O-N 3.38Å; F657-S659 PolarHBondContact O-N 3.18Å; F657-L660 PolarHBondContact O-N 3.02Å; F657-F661 PolarHBondContact O-N 3.34Å; F657-F661 VanDerWaalsContact O-N 3.16Å
658	A	56.8	Low	52.8	Low	56 Å²	56	144.4 Å²	144.4	46%	0.463	69%	0.693	S	S	.	*	H	α-helix	trans	-63.2	-39.8	179	0	0	0	0	0	112.5	L655 L662	L655-A658 PolarHBondContact O-N 3.28Å; A658-L662 WeakPolarHBondContact O-CG 3.49Å; A658-L662 PolarHBondContact O-N 2.96Å
659	S	63	Low	53.8	Low	68 Å²	68	146.1 Å²	146.1	48%	0.476	69%	0.694	S	S	.	*	H	α-helix	trans	-67.6	-41.2	177.4	37.8	0	0	0	0	113.7	L655 L656 F657 A663	L655-S659 PolarHBondContact O-N 3.1Å; L655-S659 PolarHBondContact O-OG 2.77Å; L656-S659 PolarHBondContact O-OG 2.98Å; F657-S659 PolarHBondContact O-N 3.18Å; S659-A663 PolarHBondContact O-N 2.96Å
660	L	61.4	Low	54.7	Low	119 Å²	119	143.5 Å²	143.5	62%	0.623	68%	0.682	S	S	*	*	H	α-helix	trans	-69.2	-39	-179.8	-78.7	164	0	0	0	112.2	L656 F657 L662 A663 W664	L656-L660 PolarHBondContact O-N 2.78Å; F657-L660 PolarHBondContact O-N 3.02Å; L660-L662 VanDerWaalsContact C-N 3.32Å; L660-L662 PolarHBondContact O-N 3.08Å; L660-A663 PolarHBondContact O-N 2.89Å; L660-W664 PolarHBondContact O-N 2.8Å; L660-W664 VanDerWaalsContact O-N 3.13Å
661	F	62.2	Low	55.8	Low	146 Å²	146	143.7 Å²	143.7	64%	0.64	68%	0.681	S	S	*	*	H	α-helix	trans	-68.7	-30.1	-178.7	-148.8	-92.2	0	0	0	113	F657	F657-F661 PolarHBondContact O-N 3.34Å; F657-F661 VanDerWaalsContact O-N 3.16Å
662	L	61.3	Low	57.1	Low	120 Å²	120	143.5 Å²	143.5	63%	0.628	68%	0.68	S	S	*	*	H	α-helix	trans	-76.7	-36	174	-71.3	172	0	0	0	112.6	A658 L660 R665	A658-L662 WeakPolarHBondContact O-CG 3.49Å; A658-L662 PolarHBondContact O-N 2.96Å; L660-L662 VanDerWaalsContact C-N 3.32Å; L660-L662 PolarHBondContact O-N 3.08Å; L662-R665 PolarHBondContact O-N 3.38Å
663	A	62	Low	58.1	Low	55 Å²	55	140.4 Å²	140.4	46%	0.455	68%	0.677	S	S	.	*	H	α-helix	trans	-65.4	-39.5	176.1	0	0	0	0	0	112.5	S659 L660 R665 Q666	S659-A663 PolarHBondContact O-N 2.96Å; L660-A663 PolarHBondContact O-N 2.89Å; A663-R665 VanDerWaalsContact C-N 3.26Å; A663-R665 PolarHBondContact O-N 2.85Å; A663-Q666 PolarHBondContact O-N 2.91Å
664	W	64.3	Low	58.9	Low	165 Å²	165	137.5 Å²	137.5	63%	0.625	67%	0.669	S	S	*	*	H	α-helix	trans	-61.9	-34.1	176.7	-169.6	64.4	0	0	0	112.5	L660 Q666 L667 Y668	L660-W664 PolarHBondContact O-N 2.8Å; L660-W664 VanDerWaalsContact O-N 3.13Å; W664-Q666 VanDerWaalsContact C-N 3.27Å; W664-Q666 PolarHBondContact O-N 2.73Å; W664-L667 PolarHBondContact O-N 2.71Å; W664-Y668 HydrophobicContact CZ2-CE2 4.5Å
665	R	65.5	Low	59.2	Low	196 Å²	196	136.4 Å²	136.4	74%	0.74	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	12.8	179.9	-156.1	-174.1	165.8	-178.4	-3.6	114.6	L662 A663	L662-R665 PolarHBondContact O-N 3.38Å; A663-R665 VanDerWaalsContact C-N 3.26Å; A663-R665 PolarHBondContact O-N 2.85Å
666	Q	60.2	Low	59.8	Low	174 Å²	174	136.5 Å²	136.5	81%	0.813	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	5.1	168.5	-71.3	-166.3	-39.9	0	0	113.2	A663 W664	A663-Q666 PolarHBondContact O-N 2.91Å; W664-Q666 VanDerWaalsContact C-N 3.27Å; W664-Q666 PolarHBondContact O-N 2.73Å
667	L	59.6	Low	60.1	Low	154 Å²	154	138.4 Å²	138.4	81%	0.806	66%	0.662	S	S	*	*			trans	-113.9	7.1	174.5	-76.3	162.2	0	0	0	112.6	W664	W664-L667 PolarHBondContact O-N 2.71Å
668	Y	48.8	Very low	60.5	Low	242 Å²	242	135.9 Å²	135.9	95%	0.949	66%	0.656	S	S	*	*			trans	-137.3	0	172.5	-94.9	-80.1	0	0	0	108.6	W664	W664-Y668 HydrophobicContact CZ2-CE2 4.5Å

Retrieved 668 of 668 residues in 307.5 ms (Link to these results)

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