A0A3Q0KUB1_SCHMA Loading...

F-spondin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KUB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,034 aa.

						>A0A3Q0KUB1_SCHMA|A0A3Q0KUB1
MLSKCYQMCLACNIGYFKLSVIFHFLLFSFITFTNFDPILCLNRYNKVPNDCSEMPEYSSVIRRPGDGGLEIRIQLLPPDAKRRRGSGNNGHVILHSSDLISPNYKPAVHYLNGRDYLITVGPKLHSDTAKNGLRLESVYLTAVPLGSPESEEFHQSKGRFMPTVCSNHAIGAIRFAYNFPNHVSFVWTSPANSESTTLKYTPNAQSFNSCLEIRATIIPFHWHRFYFKNSGSLRHVLCPAEDLRQIDEWSEYLHSNTKLFRKVKSDNVKARSITNIGKFDNDDSKNHRYSDSGYYGTEELDSCSVQELPKPVRTCCACNTAIYRLIIQSEWQQQQHWRDWPTTLTGAGGSTTENPHWSEILGASHSPQYDIFHAGGYASPAVDALCTTSDVSKLESEFRNQAGENILTVIRTRGIDSMAPPEQRFRSALFAVNSSHHLLSFLSRIVPSPDWCTGLSRVDICLQNCSWPLRMQFRLEPWDAGVMTGNTYIPIETSERLREPKPMCPITPDLRPNTPFTVLTDYVSLPNSDSFSLTNLHTSGSNTFRSPNLGLPMSDQMNLLNIPSTSGRMRRQFARLGTVELELLRINEHESCATEVLQEDQAMSKASNFPRRDSYGGSFDTRTGTTESDAKRAPADLLGARCHLSEWSPWSPCTQVDLDTCSTSEAKSFWTNTPPRMWRTRHSISQSNDEDCLAAKLKEEKACEMPTAKQTCGPIPISTPHTRMNFMDTCNKLPWGPWSTCINATCTRPGMIYRWRRFPDQASKVACERHPLASQVDTCWPPSNFQCSLSELQTACLEEPPTPQRLCVRPLNTTKRYYYSSATKQCKEFEYVPECHLRALVANHPISLTRNVFKDRNSCEQLCTNKQIQADAVWNPIVKRETEKLQHRCEQSLMKGSLCQSNKRSYSWYYDKQMNRCISFEYLGCYGNENNFRSEKECITQCVYRDNTTNDSDQLNLKNGIQKTSLLNNTNDKWIQMPQECRYTQWTNWSSCSTTCGQGIQTRVRERISSKSDNCQKTLPELKQQMSCLLKAC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	32.1	Very low	31.6	Very low	229 Å²	229	145.8 Å²	145.8	100%	1.128	77%	0.774	S	S	*	*				0	130.4	0	-92.9	-166.2	170.5	0	0	108
2	L	32.2	Very low	31.7	Very low	159 Å²	159	143.4 Å²	143.4	83%	0.832	78%	0.775	S	S	*	*			trans	50.2	125	155.3	-66	155.1	0	0	0	116.9
3	S	32.7	Very low	32.1	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	77%	0.771	S	S	*	*			cis	-177.5	123.3	5.3	-172.9	0	0	0	0	101.7
4	K	31.2	Very low	32.1	Very low	181 Å²	181	143.7 Å²	143.7	79%	0.787	77%	0.773	S	S	*	*				47.1	117.5	80.1	-75.4	-171	178.2	-178.2	0	108.9
5	C	28	Very low	32.4	Very low	91 Å²	91	138.7 Å²	138.7	62%	0.615	77%	0.769	S	S	*	*				135.6	161.1	50.7	-111.8	0	0	0	0	102.8
6	Y	30.8	Very low	32.5	Very low	186 Å²	186	142.4 Å²	142.4	73%	0.729	77%	0.77	S	S	*	*			trans	75	139.8	143.4	-89	-132.4	0	0	0	114.8
7	Q	30.8	Very low	32.6	Very low	134 Å²	134	144 Å²	144	63%	0.626	77%	0.768	S	S	*	*			cis	165.3	178.2	-1	-117	-169.6	-2	0	0	101.8
8	M	33.7	Very low	32.5	Very low	172 Å²	172	145 Å²	145	85%	0.847	76%	0.764	S	S	*	*			trans	91.6	120.3	167.8	-50.5	179	75.3	0	0	112.9
9	C	32.9	Very low	32.5	Very low	105 Å²	105	145.7 Å²	145.7	71%	0.709	77%	0.768	S	S	*	*			cis	-164	124.3	0.7	-93.9	0	0	0	0	104.6
10	L	31.2	Very low	32.5	Very low	170 Å²	170	143.5 Å²	143.5	89%	0.89	77%	0.765	S	S	*	*				60.5	117.8	76.3	-108.3	149.3	0	0	0	116.8
11	A	32.6	Very low	32.6	Very low	86 Å²	86	142.5 Å²	142.5	71%	0.711	76%	0.764	S	S	*	*			trans	98.6	117.2	137.7	0	0	0	0	0	121.7
12	C	32.7	Very low	32.8	Very low	117 Å²	117	137.8 Å²	137.8	79%	0.791	74%	0.742	S	S	*	*				160.8	104.9	118.6	-102.2	0	0	0	0	112.1
13	N	36.1	Very low	32.8	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	73%	0.733	S	S	*	*				65.9	104.3	95.4	-86.5	-33.8	0	0	0	115.7
14	I	33	Very low	32.9	Very low	156 Å²	156	141 Å²	141	80%	0.8	74%	0.74	S	S	*	*				71.2	121.7	86.9	-64.3	175.7	0	0	0	115.7
15	G	35.4	Very low	33	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	73%	0.734	S	S	*	*			trans	140.5	152.5	149.5	0	0	0	0	0	114.2
16	Y	34.1	Very low	33.1	Very low	198 Å²	198	141.9 Å²	141.9	78%	0.776	74%	0.74	S	S	*	*			cis	173.5	155.1	-18.4	-134.2	-67.2	0	0	0	105.7
17	F	34.4	Very low	33.1	Very low	169 Å²	169	140.1 Å²	140.1	74%	0.741	74%	0.742	S	S	*	*			trans	74	154.2	162.7	-80.6	-105.8	0	0	0	120.3
18	K	32	Very low	33.1	Very low	162 Å²	162	142.6 Å²	142.6	70%	0.704	75%	0.751	S	S	*	*			cis	172.4	136.1	-33	-124	-172.1	-178.9	178.9	0	106.4
19	L	32.1	Very low	32.9	Very low	158 Å²	158	139.2 Å²	139.2	83%	0.827	75%	0.745	S	S	*	*			trans	33	133.5	145.7	-73	152.6	0	0	0	122.2
20	S	31.4	Very low	32.5	Very low	101 Å²	101	144 Å²	144	71%	0.706	75%	0.753	S	S	*	*				162.8	153.7	112.8	-168.5	0	0	0	0	114.4
21	V	35.1	Very low	32.2	Very low	124 Å²	124	143.1 Å²	143.1	75%	0.752	75%	0.748	S	S	*	*			trans	92.5	128.7	159.5	-162.3	0	0	0	0	117.4
22	I	36.5	Very low	31.9	Very low	129 Å²	129	145 Å²	145	66%	0.662	75%	0.751	S	S	*	*			cis	168.6	130	-29	-96.7	162.2	0	0	0	105.6
23	F	32.6	Very low	31.5	Very low	149 Å²	149	146.6 Å²	146.6	65%	0.654	75%	0.745	S	S	*	*			trans	55.2	117.9	147.1	-83.6	-117.6	0	0	0	123.3	F25	F23-F25 AromaticContact CD1-CD2 3.82Å; F23-F25 HydrophobicContact CD1-CD2 3.82Å; F23-F25 AromaticContact CD1-CE2 3.69Å; F23-F25 HydrophobicContact CD1-CE2 3.69Å; F23-F25 HydrophobicContact CE1-CD2 4.06Å; F23-F25 AromaticContact CE1-CE2 3.43Å; F23-F25 HydrophobicContact CE1-CE2 3.43Å; F23-F25 VanDerWaalsContact CE1-CE2 3.43Å; F23-F25 HydrophobicContact CE1-CZ 4.37Å; F23-F25 HydrophobicContact CZ-CE2 4.25Å
24	H	34.7	Very low	31.2	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.787	75%	0.752	S	S	*	*				176	100.7	106.5	-96.7	5.7	0	0	0	109.5
25	F	32.2	Very low	30.8	Very low	148 Å²	148	144.6 Å²	144.6	65%	0.649	74%	0.741	S	S	*	*				79.7	100.9	89	-97.5	-100	0	0	0	114.5	F23	F23-F25 AromaticContact CD1-CD2 3.82Å; F23-F25 HydrophobicContact CD1-CD2 3.82Å; F23-F25 AromaticContact CD1-CE2 3.69Å; F23-F25 HydrophobicContact CD1-CE2 3.69Å; F23-F25 HydrophobicContact CE1-CD2 4.06Å; F23-F25 AromaticContact CE1-CE2 3.43Å; F23-F25 HydrophobicContact CE1-CE2 3.43Å; F23-F25 VanDerWaalsContact CE1-CE2 3.43Å; F23-F25 HydrophobicContact CE1-CZ 4.37Å; F23-F25 HydrophobicContact CZ-CE2 4.25Å
26	L	30	Very low	30.5	Very low	141 Å²	141	151.1 Å²	151.1	74%	0.738	75%	0.75	S	S	*	*			trans	59.1	111.5	137.7	-54.7	179.4	0	0	0	118.9
27	L	31	Very low	30	Very low	149 Å²	149	148 Å²	148	78%	0.78	75%	0.747	S	S	*	*				177.3	117.3	109.4	-89.3	154.1	0	0	0	109.5
28	F	31.5	Very low	29.7	Very low	187 Å²	187	144.6 Å²	144.6	82%	0.82	74%	0.742	S	S	*	*			trans	63	79.9	157	-70.6	-87.4	0	0	0	120.2
29	S	28.4	Very low	29.4	Very low	101 Å²	101	143.5 Å²	143.5	71%	0.706	74%	0.742	S	S	*	*				57.9	92.4	122.7	-48.6	0	0	0	0	121.2
30	F	26.4	Very low	29	Very low	204 Å²	204	142.3 Å²	142.3	90%	0.895	74%	0.736	S	S	*	*			trans	67.9	53.2	141.4	-69.4	-80.6	0	0	0	119.7
31	I	24.9	Very low	28.5	Very low	153 Å²	153	143.2 Å²	143.2	79%	0.785	74%	0.741	S	S	*	*			trans	-132	102.8	141.1	-61.2	177.4	0	0	0	107
32	T	24.9	Very low	27.9	Very low	125 Å²	125	144.3 Å²	144.3	77%	0.767	74%	0.742	S	S	*	*			trans	-151.3	114	163.1	33	0	0	0	0	108.1
33	F	25.6	Very low	27.3	Very low	151 Å²	151	145.2 Å²	145.2	66%	0.662	75%	0.748	S	S	*	*				69	120.8	74.9	-85	-81.5	0	0	0	112.3
34	T	28.2	Very low	26.8	Very low	140 Å²	140	147.7 Å²	147.7	86%	0.859	75%	0.753	S	S	*	*			trans	-177.4	93.3	135	26	0	0	0	0	105.6
35	N	25.3	Very low	26.3	Very low	109 Å²	109	148.1 Å²	148.1	58%	0.583	75%	0.749	S	S	*	*				44.9	97.1	81.9	-74.3	-18.5	0	0	0	113
36	F	28.6	Very low	25.9	Very low	205 Å²	205	148 Å²	148	90%	0.899	76%	0.755	S	S	*	*				-152.4	93.3	122.1	-92.2	-78.7	0	0	0	105.4
37	D	25.1	Very low	25.7	Very low	132 Å²	132	151 Å²	151	71%	0.706	76%	0.762	S	S	*	*				75.5	147.3	86	-98.4	-18.2	0	0	0	114.6
38	P	27.2	Very low	25.4	Very low	99 Å²	99	149.5 Å²	149.5	64%	0.643	76%	0.759	S	S	*	*				-108.2	-150.1	-119.7	22.4	-2.2	0	0	0	110.7
39	I	24.6	Very low	25.1	Very low	138 Å²	138	146.3 Å²	146.3	71%	0.708	76%	0.757	S	S	*	*			trans	109.9	120.5	147.9	-60.6	164.5	0	0	0	116.1
40	L	24.2	Very low	25	Very low	134 Å²	134	148.5 Å²	148.5	70%	0.702	76%	0.761	S	S	*	*			trans	77.2	98.8	153	-68.7	161.8	0	0	0	116.8	L42	L40-L42 HydrophobicContact CD2-CD1 4.32Å
41	C	20.6	Very low	25	Very low	120 Å²	120	144.8 Å²	144.8	81%	0.811	75%	0.751	S	S	*	*				29.2	99.3	71.2	-91.4	0	0	0	0	111.8
42	L	24.2	Very low	25	Very low	147 Å²	147	142.2 Å²	142.2	77%	0.77	75%	0.745	S	S	*	*			trans	-172.8	112.8	134.2	-97.3	152.1	0	0	0	109.4	L40 R44	L40-L42 HydrophobicContact CD2-CD1 4.32Å; L42-R44 PolarHBondContact O-N 3.29Å
43	N	22.6	Very low	25.1	Very low	147 Å²	147	140.2 Å²	140.2	79%	0.786	74%	0.736	S	S	*	*			trans	-14.5	126.2	140.4	-76.6	-39.8	0	0	0	112.2
44	R	23	Very low	25.2	Very low	202 Å²	202	141.7 Å²	141.7	76%	0.762	75%	0.745	S	S	*	*				172.6	130.8	125.6	-100.8	164.2	-170.5	-153.6	8.4	113.5	L42	L42-R44 PolarHBondContact O-N 3.29Å
45	Y	23.3	Very low	25.2	Very low	178 Å²	178	142.1 Å²	142.1	70%	0.698	74%	0.739	S	S	*	*			trans	80.6	98.9	148.5	-62.8	-59.5	0	0	0	118.6
46	N	23.8	Very low	25.3	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	73%	0.734	S	S	*	*				31	98.3	106.6	-68.5	-10.7	0	0	0	115.2
47	K	25.8	Very low	25.4	Very low	203 Å²	203	138.4 Å²	138.4	88%	0.883	73%	0.727	S	S	*	*				-178.2	96.9	126.6	-99.7	171.1	-178.7	-173.9	0	108
48	V	25	Very low	25.7	Very low	119 Å²	119	140.5 Å²	140.5	72%	0.721	73%	0.727	S	S	*	*			trans	-62.2	130.6	158.3	177.3	0	0	0	0	106.1	N50	V48-N50 VanDerWaalsContact C-N 3.32Å; V48-N50 PolarHBondContact O-N 3.34Å
49	P	26.3	Very low	25.8	Very low	120 Å²	120	139 Å²	139	78%	0.779	72%	0.718	S	S	*	*			trans	-63.4	98.5	170.6	-15.2	28.8	0	0	0	108.2	D51	P49-D51 PolarHBondContact O-N 2.74Å
50	N	24.7	Very low	26.2	Very low	147 Å²	147	134.2 Å²	134.2	79%	0.786	70%	0.697	S	S	*	*			trans	-71.3	80.5	161.7	-74	-18.5	0	0	0	107	V48	V48-N50 VanDerWaalsContact C-N 3.32Å; V48-N50 PolarHBondContact O-N 3.34Å
51	D	26.3	Very low	26.6	Very low	126 Å²	126	130.3 Å²	130.3	67%	0.674	68%	0.679	S	S	*	*			trans	-179.8	112.6	152.5	-103.9	-31	0	0	0	109.9	P49 S53	P49-D51 PolarHBondContact O-N 2.74Å; D51-S53 PolarHBondContact O-N 2.83Å; D51-S53 VanDerWaalsContact O-N 3.17Å; D51-S53 PolarHBondContact OD1-OG 3.19Å
52	C	24.8	Very low	27.1	Very low	99 Å²	99	127.4 Å²	127.4	67%	0.669	66%	0.655	S	S	*	*			trans	-81.6	30.9	162.7	-75.2	0	0	0	0	110.9	L125	C52-L125 HydrophobicContact CB-CD1 4.08Å; C52-L125 HydrophobicContact CB-CD2 3.17Å; C52-L125 HydrophobicContact CB-CG 4.25Å
53	S	27.3	Very low	27.5	Very low	82 Å²	82	130.2 Å²	130.2	57%	0.573	66%	0.655	S	S	*	*			trans	-96.8	3.7	-165.8	-54.1	0	0	0	0	113	D51	D51-S53 PolarHBondContact O-N 2.83Å; D51-S53 VanDerWaalsContact O-N 3.17Å; D51-S53 PolarHBondContact OD1-OG 3.19Å
54	E	28.2	Very low	27.6	Very low	182 Å²	182	130.4 Å²	130.4	85%	0.85	65%	0.645	S	S	*	*			trans	-140.4	86.6	-178	-66.8	-177	166.9	0	0	111.2
55	M	27.2	Very low	27.9	Very low	149 Å²	149	127.1 Å²	127.1	73%	0.734	65%	0.649	S	S	*	*			trans	-144.5	148.9	167.2	-99.1	-176	80.7	0	0	112.5
56	P	29.1	Very low	28.2	Very low	74 Å²	74	122 Å²	122	48%	0.481	65%	0.651	S	S	.	*			trans	-73.9	151.1	-150.1	-16.4	31.2	0	0	0	116.1	Y58	P56-Y58 HydrophobicContact CB-CD2 3.93Å; P56-Y58 HydrophobicContact CB-CE2 4.29Å; P56-Y58 PolarHBondContact O-N 3.07Å
57	E	29.6	Very low	28.4	Very low	162 Å²	162	118 Å²	118	76%	0.757	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-5.4	-177.5	-77	-175.6	140.4	0	0	116.8	S59	E57-S59 PolarHBondContact O-N 3.1Å
58	Y	31.3	Very low	28.8	Very low	177 Å²	177	110.5 Å²	110.5	69%	0.694	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	13.3	-173.6	-45.9	-71.3	0	0	0	114.8	P56	P56-Y58 HydrophobicContact CB-CD2 3.93Å; P56-Y58 HydrophobicContact CB-CE2 4.29Å; P56-Y58 PolarHBondContact O-N 3.07Å
59	S	28.9	Very low	29.4	Very low	66 Å²	66	106.6 Å²	106.6	46%	0.462	59%	0.593	S	S	.	*			trans	-97.3	125.5	-179	55.5	0	0	0	0	111.9	E57 V61	E57-S59 PolarHBondContact O-N 3.1Å; S59-V61 PolarHBondContact O-N 3.15Å
60	S	33.6	Very low	30	Very low	38 Å²	38	104.2 Å²	104.2	27%	0.266	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.5	107.6	172.4	60.5	0	0	0	0	109.6
61	V	31.9	Very low	30.7	Very low	52 Å²	52	98.5 Å²	98.5	32%	0.315	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.6	171.6	-175	0	0	0	0	109.3	S59 R63 E71	S59-V61 PolarHBondContact O-N 3.15Å; V61-R63 HydrophobicContact CB-CG 4.44Å; V61-R63 HydrophobicContact CG1-CG 3.54Å; V61-R63 PolarHBondContact O-N 3.37Å; V61-E71 HydrophobicContact CG1-CG 4.11Å; V61-E71 WeakPolarHBondContact CG1-OE1 3.32Å
62	I	32.6	Very low	31.4	Very low	60 Å²	60	94 Å²	94	31%	0.308	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	103.1	170.5	-57.6	178.4	0	0	0	107.5	I74 F161 P163	I62-I74 HydrophobicContact CD1-CD1 4.38Å; I62-F161 HydrophobicContact CD1-CD1 4.08Å; I62-F161 HydrophobicContact CD1-CE1 3.65Å; I62-P163 HydrophobicContact CD1-CG 4.44Å; I62-P163 HydrophobicContact CG2-CG 4.06Å
63	R	31.7	Very low	32.3	Very low	206 Å²	206	93.1 Å²	93.1	78%	0.777	50%	0.501	S	S	*	.			trans	-103.4	129.1	175.3	-59	-170.8	178.1	-175.9	-1.1	110.5	V61	V61-R63 HydrophobicContact CB-CG 4.44Å; V61-R63 HydrophobicContact CG1-CG 3.54Å; V61-R63 PolarHBondContact O-N 3.37Å
64	R	26	Very low	32.9	Very low	150 Å²	150	90.2 Å²	90.2	57%	0.566	48%	0.478	S	S	*	.			trans	-126.2	152.3	157	-78.5	-164.5	-155	168.3	14.6	110.2	P163	R64-P163 PolarHBondContact NH2-O 3.34Å
65	P	28.3	Very low	33.6	Very low	133 Å²	133	86 Å²	86	86%	0.864	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	131	177.4	-6.5	23.9	0	0	0	110.1
66	G	30.3	Very low	34.3	Very low	70 Å²	70	82.6 Å²	82.6	72%	0.722	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.2	-7.1	175.6	0	0	0	0	0	115.7	G68	G66-G68 PolarHBondContact O-N 2.89Å
67	D	28.4	Very low	34.9	Very low	63 Å²	63	81.3 Å²	81.3	34%	0.337	43%	0.432	S	S	.	.			trans	-74.6	117.4	-173.9	-23.2	-63.6	0	0	0	112.2	G69 K124	D67-G69 PolarHBondContact O-N 3.45Å; D67-K124 VanDerWaalsContact CB-NZ 3.27Å; D67-K124 PolarHBondContact O-NZ 3.22Å; D67-K124 WeakPolarHBondContact OD2-CE 3.29Å; D67-K124 IonicContact OD2-NZ 2.77Å; D67-K124 PolarHBondContact OD2-NZ 2.02Å
68	G	33.1	Very low	35.4	Very low	46 Å²	46	77.6 Å²	77.6	47%	0.474	42%	0.422	S	S	.	.	S	Bend	trans	-59.1	121.2	154.6	0	0	0	0	0	109.3	G66 L70	G66-G68 PolarHBondContact O-N 2.89Å; G68-L70 PolarHBondContact O-N 3.12Å
69	G	37.4	Very low	35.6	Very low	36 Å²	36	73.4 Å²	73.4	37%	0.371	42%	0.416	S	S	.	.	S	Bend	trans	59	-11.4	155.3	0	0	0	0	0	120.9	D67 P123 K124	D67-G69 PolarHBondContact O-N 3.45Å; G69-P123 CarbonylContact O-C 3.53Å; G69-P123 WeakPolarHBondContact O-CA 3.4Å; G69-P123 WeakPolarHBondContact O-CB 3.37Å; G69-K124 PolarHBondContact O-N 3.12Å
70	L	39.5	Very low	36	Very low	70 Å²	70	77.1 Å²	77.1	37%	0.366	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.5	-167.6	-64.4	169.2	0	0	0	114.1	G68 G122	G68-L70 PolarHBondContact O-N 3.12Å; L70-G122 CarbonylContact C-O 3.55Å; L70-G122 WeakPolarHBondContact CA-O 3.29Å
71	E	39.7	Very low	36	Very low	27 Å²	27	78.3 Å²	78.3	13%	0.126	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.1	-179.4	-170.9	-174.2	160.3	0	0	110.4	V61 R73 V121 G122 K124	V61-E71 HydrophobicContact CG1-CG 4.11Å; V61-E71 WeakPolarHBondContact CG1-OE1 3.32Å; E71-R73 VanDerWaalsContact CD-NE 3.26Å; E71-R73 HydrophobicContact CG-CG 4.35Å; E71-R73 IonicContact OE1-CZ 2.77Å; E71-R73 IonicContact OE1-NE 2.81Å; E71-R73 PolarHBondContact OE1-NE 3.22Å; E71-R73 IonicContact OE1-NH2 3.57Å; E71-R73 PolarHBondContact OE1-NH2 2.88Å; E71-R73 IonicContact OE2-CZ 2.64Å; E71-R73 IonicContact OE2-NE 3.48Å; E71-R73 PolarHBondContact OE2-NE 3.17Å; E71-R73 IonicContact OE2-NH2 3.87Å; E71-R73 PolarHBondContact OE2-NH2 3.46Å; E71-V121 WeakPolarHBondContact O-CA 3.24Å; E71-G122 PolarHBondContact N-O 2.88Å; E71-G122 PolarHBondContact O-N 3Å; E71-K124 HydrophobicContact CB-CG 4.4Å
72	I	41.1	Very low	36	Very low	32 Å²	32	84.9 Å²	84.9	16%	0.164	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.5	175.1	-54.8	176.4	0	0	0	109.6	I119 T120 V121	I72-I119 HydrophobicContact CG2-CG2 4.27Å; I72-T120 CarbonylContact C-O 3.52Å; I72-T120 WeakPolarHBondContact CA-O 3.44Å; I72-V121 HydrophobicContact CG1-CG1 4.48Å; I72-V121 HydrophobicContact CG1-CG2 4.27Å
73	R	42.3	Very low	35.8	Very low	81 Å²	81	92.8 Å²	92.8	31%	0.306	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.7	179.9	-63.4	179.3	-179.4	-178.6	5.5	111	E71 I119 T120 L125	E71-R73 VanDerWaalsContact CD-NE 3.26Å; E71-R73 HydrophobicContact CG-CG 4.35Å; E71-R73 IonicContact OE1-CZ 2.77Å; E71-R73 IonicContact OE1-NE 2.81Å; E71-R73 PolarHBondContact OE1-NE 3.22Å; E71-R73 IonicContact OE1-NH2 3.57Å; E71-R73 PolarHBondContact OE1-NH2 2.88Å; E71-R73 IonicContact OE2-CZ 2.64Å; E71-R73 IonicContact OE2-NE 3.48Å; E71-R73 PolarHBondContact OE2-NE 3.17Å; E71-R73 IonicContact OE2-NH2 3.87Å; E71-R73 PolarHBondContact OE2-NH2 3.46Å; R73-I119 WeakPolarHBondContact O-CA 3.45Å; R73-T120 WeakPolarHBondContact CB-OG1 3.31Å; R73-T120 PolarHBondContact N-O 2.02Å; R73-T120 PolarHBondContact O-N 3.47Å; R73-T120 PolarHBondContact O-OG1 3.03Å; R73-L125 VanDerWaalsContact NH2-CD1 3.33Å
74	I	41	Very low	35.6	Very low	20 Å²	20	93.8 Å²	93.8	10%	0.103	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.2	-177.7	-53	176.4	0	0	0	109.8	I62 Y111 Y117 L118 I119	I62-I74 HydrophobicContact CD1-CD1 4.38Å; I74-Y111 HydrophobicContact CG2-CE1 4.34Å; I74-Y117 HydrophobicContact CG2-CD1 4.33Å; I74-L118 CarbonylContact C-O 3.58Å; I74-L118 WeakPolarHBondContact CA-O 3.4Å; I74-I119 HydrophobicContact CG1-CG1 4.34Å; I74-I119 HydrophobicContact CG2-CG1 4.36Å
75	Q	42.8	Very low	35.5	Very low	93 Å²	93	97.2 Å²	97.2	44%	0.435	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.1	-179.8	-175.3	178.2	6.7	0	0	111.6	Y117 L118	Q75-Y117 CarbonylContact O-C 3.53Å; Q75-Y117 WeakPolarHBondContact O-CA 3.34Å; Q75-L118 HydrophobicContact CB-CB 4.36Å; Q75-L118 PolarHBondContact N-O 3.45Å; Q75-L118 PolarHBondContact O-N 2.81Å
76	L	42.5	Very low	35.3	Very low	79 Å²	79	94 Å²	94	41%	0.414	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.6	173.8	177.3	69.4	0	0	0	110.3	R115 Y117	L76-R115 HydrophobicContact CD1-CB 3.67Å; L76-R115 HydrophobicContact CD1-CG 4.03Å; L76-Y117 HydrophobicContact CB-CD1 4.2Å; L76-Y117 HydrophobicContact CB-CE1 4.09Å; L76-Y117 HydrophobicContact CD1-CD1 4Å; L76-Y117 HydrophobicContact CD1-CE1 3.49Å; L76-Y117 VanDerWaalsContact CD1-CE1 3.49Å; L76-Y117 HydrophobicContact CD1-CE2 4.39Å; L76-Y117 HydrophobicContact CG-CE1 4.36Å
77	L	41.8	Very low	35.2	Very low	47 Å²	47	96.3 Å²	96.3	25%	0.246	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-83.5	140	175.9	-67	176.5	0	0	0	111.7	D116 L118 Y140	L77-D116 HydrophobicContact CB-CB 4.28Å; L77-D116 HydrophobicContact CD1-CB 4.05Å; L77-D116 PolarHBondContact N-O 2.8Å; L77-L118 HydrophobicContact CD2-CB 4.26Å; L77-L118 HydrophobicContact CG-CB 4.39Å; L77-Y140 HydrophobicContact CD1-CE1 4.12Å
78	P	39.1	Very low	35	Very low	84 Å²	84	96.1 Å²	96.1	55%	0.545	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-67.7	145.2	175.5	17.7	-19.7	0	0	0	112	D80 A81	P78-D80 PolarHBondContact O-N 3.05Å; P78-D80 VanDerWaalsContact O-N 3.07Å; P78-A81 PolarHBondContact O-N 3.16Å
79	P	36	Very low	34.7	Very low	89 Å²	89	101.1 Å²	101.1	58%	0.578	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.7	-177	15.3	-26.3	0	0	0	115.2
80	D	37.4	Very low	34.2	Very low	143 Å²	143	107.3 Å²	107.3	77%	0.765	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	10.5	-172.4	-49.4	-42	0	0	0	113.1	P78 K82	P78-D80 PolarHBondContact O-N 3.05Å; P78-D80 VanDerWaalsContact O-N 3.07Å; D80-K82 PolarHBondContact O-N 3.44Å
81	A	34	Very low	33.6	Very low	63 Å²	63	107.5 Å²	107.5	52%	0.521	58%	0.578	S	S	.	*			trans	-63.3	98.7	177.7	0	0	0	0	0	110.7	P78 R83	P78-A81 PolarHBondContact O-N 3.16Å; A81-R83 PolarHBondContact O-N 3.42Å; A81-R83 VanDerWaalsContact O-N 3.14Å
82	K	30	Very low	32.9	Very low	191 Å²	191	115.3 Å²	115.3	83%	0.83	61%	0.614	S	S	*	*			trans	-59.4	114.7	178.6	-75.2	-175.8	178.4	178	0	110.8	D80 R84	D80-K82 PolarHBondContact O-N 3.44Å; K82-R84 PolarHBondContact O-N 3.46Å
83	R	28.7	Very low	32.2	Very low	226 Å²	226	119.9 Å²	119.9	85%	0.853	64%	0.643	S	S	*	*			trans	-62.5	96.7	166.6	-73.7	-177.6	176.8	-166.9	-1.9	109.9	A81	A81-R83 PolarHBondContact O-N 3.42Å; A81-R83 VanDerWaalsContact O-N 3.14Å
84	R	27.2	Very low	31.4	Very low	226 Å²	226	122.7 Å²	122.7	85%	0.853	66%	0.663	S	S	*	*			trans	-90.9	120.5	168.7	-82.9	-166.8	168.6	-170.8	-1.9	110.4	K82	K82-R84 PolarHBondContact O-N 3.46Å
85	R	24.6	Very low	30.7	Very low	222 Å²	222	128.2 Å²	128.2	84%	0.838	69%	0.692	S	S	*	*			trans	-60.1	131.3	163.9	-74.2	-178.1	179.2	-167.4	-5.1	108.1
86	G	25.4	Very low	29.8	Very low	65 Å²	65	132.5 Å²	132.5	67%	0.67	71%	0.711	S	S	*	*			trans	-165.7	105.2	178.2	0	0	0	0	0	112.1
87	S	26.7	Very low	29	Very low	120 Å²	120	134.1 Å²	134.1	84%	0.839	73%	0.729	S	S	*	*			trans	-30.8	141.4	156.4	177	0	0	0	0	112.4	N89	S87-N89 PolarHBondContact O-N 3.45Å; S87-N89 VanDerWaalsContact O-N 3.13Å
88	G	24.9	Very low	28.3	Very low	58 Å²	58	136.7 Å²	136.7	60%	0.598	75%	0.752	S	S	*	*	S	Bend	trans	-46	120.2	176.8	0	0	0	0	0	112.1
89	N	26.6	Very low	27.7	Very low	152 Å²	152	140.3 Å²	140.3	81%	0.813	77%	0.766	S	S	*	*	S	Bend	trans	166.4	105	147.1	-83.7	-16.8	0	0	0	109.1	S87	S87-N89 PolarHBondContact O-N 3.45Å; S87-N89 VanDerWaalsContact O-N 3.13Å
90	N	26.3	Very low	27.1	Very low	166 Å²	166	142.9 Å²	142.9	89%	0.888	77%	0.774	S	S	*	*			trans	38.2	97.3	154.6	-57.4	-16.8	0	0	0	118.6
91	G	26.6	Very low	26.7	Very low	73 Å²	73	143.8 Å²	143.8	75%	0.753	78%	0.777	S	S	*	*			trans	-139.4	102.5	165.8	0	0	0	0	0	112
92	H	25.8	Very low	26.3	Very low	192 Å²	192	145.3 Å²	145.3	89%	0.889	79%	0.785	S	S	*	*			trans	-67.2	134.5	169.2	-112.7	-88.1	0	0	0	110.2
93	V	26.8	Very low	26.1	Very low	128 Å²	128	141.2 Å²	141.2	78%	0.776	78%	0.777	S	S	*	*			trans	-92.4	114.7	166.1	178.9	0	0	0	0	108.4
94	I	24.6	Very low	26.1	Very low	139 Å²	139	137.9 Å²	137.9	71%	0.713	78%	0.777	S	S	*	*			trans	-80.6	119.5	172.1	-62.1	170.1	0	0	0	107.7
95	L	26.1	Very low	26	Very low	137 Å²	137	136.7 Å²	136.7	72%	0.717	77%	0.773	S	S	*	*			trans	-89.3	111.9	168.4	-79.9	161.6	0	0	0	108.5
96	H	25.3	Very low	26	Very low	182 Å²	182	136.3 Å²	136.3	84%	0.843	78%	0.778	S	S	*	*			trans	-78.7	116.6	163.5	-89.6	-84.2	0	0	0	108.9
97	S	25.5	Very low	26	Very low	113 Å²	113	137 Å²	137	79%	0.79	77%	0.77	S	S	*	*			trans	-97.6	128.1	173.2	69.8	0	0	0	0	111.9
98	S	25.9	Very low	25.9	Very low	102 Å²	102	134.5 Å²	134.5	71%	0.713	76%	0.757	S	S	*	*			trans	177.9	101.4	157.5	49.5	0	0	0	0	103.7
99	D	26.8	Very low	26.3	Very low	160 Å²	160	136.2 Å²	136.2	86%	0.856	76%	0.756	S	S	*	*				-158	142.8	73.6	-69.7	-42	0	0	0	112.1
100	L	25	Very low	26.6	Very low	142 Å²	142	135.9 Å²	135.9	74%	0.743	75%	0.749	S	S	*	*			trans	-79.2	177.4	-177.2	-78.1	143.3	0	0	0	113.6
101	I	27.5	Very low	27.1	Very low	162 Å²	162	132.7 Å²	132.7	83%	0.831	73%	0.725	S	S	*	*			trans	117.4	117.8	159.2	-57.3	154.8	0	0	0	110.9
102	S	26.7	Very low	27.4	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	71%	0.712	S	S	*	*			cis	-152.8	148.7	25.4	-176.9	0	0	0	0	111.8	N104	S102-N104 PolarHBondContact O-N 2.71Å
103	P	26	Very low	27.7	Very low	104 Å²	104	129.4 Å²	129.4	68%	0.675	70%	0.696	S	S	*	*			trans	-87.7	9.1	-163.2	-6.4	26	0	0	0	117.9
104	N	28.3	Very low	28	Very low	157 Å²	157	125.7 Å²	125.7	84%	0.84	69%	0.685	S	S	*	*			trans	-118.6	24.7	-164.7	-91	-20	0	0	0	117.1	S102	S102-N104 PolarHBondContact O-N 2.71Å
105	Y	24.9	Very low	28.8	Very low	200 Å²	200	123.4 Å²	123.4	78%	0.784	67%	0.667	S	S	*	*			trans	-126.7	115.7	173.1	-153.4	-107.4	0	0	0	110.1	P107	Y105-P107 VanDerWaalsContact C-CD 3.47Å; Y105-P107 HydrophobicContact CD1-CB 3.96Å; Y105-P107 HydrophobicContact CD1-CG 4.12Å; Y105-P107 HydrophobicContact CE1-CB 3.96Å; Y105-P107 WeakPolarHBondContact O-CD 3.4Å
106	K	23.9	Very low	29.4	Very low	214 Å²	214	120.2 Å²	120.2	93%	0.93	65%	0.651	S	S	*	*			trans	-92.3	90.1	163.7	-83	-177	177.1	176	0	108.2
107	P	25.2	Very low	30.1	Very low	79 Å²	79	112.7 Å²	112.7	51%	0.513	62%	0.615	S	S	.	*			trans	-75.9	138.9	165.9	31.8	-29.4	0	0	0	108.1	Y105 V109	Y105-P107 VanDerWaalsContact C-CD 3.47Å; Y105-P107 HydrophobicContact CD1-CB 3.96Å; Y105-P107 HydrophobicContact CD1-CG 4.12Å; Y105-P107 HydrophobicContact CE1-CB 3.96Å; Y105-P107 WeakPolarHBondContact O-CD 3.4Å; P107-V109 PolarHBondContact O-N 3.13Å
108	A	26.2	Very low	30.8	Very low	69 Å²	69	109 Å²	109	57%	0.57	59%	0.586	S	S	*	*			trans	-49.1	128.4	163.5	0	0	0	0	0	108.4	H110	A108-H110 VanDerWaalsContact C-N 3.3Å; A108-H110 PolarHBondContact O-CD2 2.79Å; A108-H110 PolarHBondContact O-N 2.6Å
109	V	32.3	Very low	31.5	Very low	93 Å²	93	105.1 Å²	105.1	56%	0.564	56%	0.557	S	S	*	*			trans	-65.3	93.4	-178	-178.6	0	0	0	0	108.2	P107 Y111	P107-V109 PolarHBondContact O-N 3.13Å; V109-Y111 HydrophobicContact CG1-CE1 4.23Å; V109-Y111 HydrophobicContact CG1-CE2 4.11Å; V109-Y111 PolarHBondContact O-N 3.32Å
110	H	32.1	Very low	32.1	Very low	145 Å²	145	100.4 Å²	100.4	67%	0.671	53%	0.534	S	S	*	.			trans	-81.3	105.3	173.9	-68.8	-61.6	0	0	0	107.9	A108 L112	A108-H110 VanDerWaalsContact C-N 3.3Å; A108-H110 PolarHBondContact O-CD2 2.79Å; A108-H110 PolarHBondContact O-N 2.6Å; H110-L112 PolarHBondContact O-N 2.96Å
111	Y	37.1	Very low	32.8	Very low	100 Å²	100	95 Å²	95	39%	0.392	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-68.1	126	171.6	-64.1	-84.1	0	0	0	109.5	I74 V109 Y117	I74-Y111 HydrophobicContact CG2-CE1 4.34Å; V109-Y111 HydrophobicContact CG1-CE1 4.23Å; V109-Y111 HydrophobicContact CG1-CE2 4.11Å; V109-Y111 PolarHBondContact O-N 3.32Å; Y111-Y117 WeakPolarHBondContact CA-OH 3.06Å; Y111-Y117 HydrophobicContact CD1-CD1 4.22Å; Y111-Y117 AromaticContact CD1-CE1 3.59Å; Y111-Y117 HydrophobicContact CD1-CE1 3.59Å; Y111-Y117 AromaticContact CD1-CZ 3.78Å; Y111-Y117 HydrophobicContact CE1-CD1 4.48Å; Y111-Y117 HydrophobicContact CE1-CE1 4.19Å
112	L	33.8	Very low	33.3	Very low	89 Å²	89	88.4 Å²	88.4	47%	0.466	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-81.8	128.3	177.4	-64.8	171.8	0	0	0	110.7	H110 R115 Y117	H110-L112 PolarHBondContact O-N 2.96Å; L112-R115 HydrophobicContact CB-CB 4.45Å; L112-R115 HydrophobicContact CB-CG 3.62Å; L112-R115 HydrophobicContact CD1-CG 4.26Å; L112-Y117 PolarHBondContact N-OH 3.19Å; L112-Y117 PolarHBondContact O-OH 3.09Å; L112-Y117 VanDerWaalsContact O-OH 3.12Å
113	N	32.2	Very low	33.8	Very low	106 Å²	106	88.4 Å²	88.4	57%	0.567	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	139.3	175.1	-66.8	-20.2	0	0	0	111.2	R115	N113-R115 VanDerWaalsContact C-N 3.34Å; N113-R115 PolarHBondContact O-N 2.79Å
114	G	33.1	Very low	34.6	Very low	51 Å²	51	87 Å²	87	53%	0.526	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	16.1	176.4	0	0	0	0	0	116	A143	G114-A143 WeakPolarHBondContact CA-O 3.33Å; G114-A143 PolarHBondContact N-O 2.82Å
115	R	41.6	Very low	35.4	Very low	90 Å²	90	83.3 Å²	83.3	34%	0.34	44%	0.44	S	S	.	.			trans	-100.6	152.7	173.9	-68.2	-67.6	-152.8	-177.4	2.7	112	L76 L112 N113 Y117	L76-R115 HydrophobicContact CD1-CB 3.67Å; L76-R115 HydrophobicContact CD1-CG 4.03Å; L112-R115 HydrophobicContact CB-CB 4.45Å; L112-R115 HydrophobicContact CB-CG 3.62Å; L112-R115 HydrophobicContact CD1-CG 4.26Å; N113-R115 VanDerWaalsContact C-N 3.34Å; N113-R115 PolarHBondContact O-N 2.79Å; R115-Y117 HydrophobicContact CB-CE2 3.97Å; R115-Y117 WeakPolarHBondContact O-CD2 3.2Å; R115-Y117 WeakPolarHBondContact O-CE2 3.21Å
116	D	38.5	Very low	36.3	Very low	71 Å²	71	83 Å²	83	38%	0.38	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.5	173.2	-65	-20.3	0	0	0	110.4	L77 T142	L77-D116 HydrophobicContact CB-CB 4.28Å; L77-D116 HydrophobicContact CD1-CB 4.05Å; L77-D116 PolarHBondContact N-O 2.8Å; D116-T142 WeakPolarHBondContact OD1-CG2 3.08Å
117	Y	39.5	Very low	36.8	Very low	24 Å²	24	75.5 Å²	75.5	9%	0.094	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.9	174.6	-61.8	-93.5	0	0	0	110.4	I74 Q75 L76 Y111 L112 R115	I74-Y117 HydrophobicContact CG2-CD1 4.33Å; Q75-Y117 CarbonylContact O-C 3.53Å; Q75-Y117 WeakPolarHBondContact O-CA 3.34Å; L76-Y117 HydrophobicContact CB-CD1 4.2Å; L76-Y117 HydrophobicContact CB-CE1 4.09Å; L76-Y117 HydrophobicContact CD1-CD1 4Å; L76-Y117 HydrophobicContact CD1-CE1 3.49Å; L76-Y117 VanDerWaalsContact CD1-CE1 3.49Å; L76-Y117 HydrophobicContact CD1-CE2 4.39Å; L76-Y117 HydrophobicContact CG-CE1 4.36Å; Y111-Y117 WeakPolarHBondContact CA-OH 3.06Å; Y111-Y117 HydrophobicContact CD1-CD1 4.22Å; Y111-Y117 AromaticContact CD1-CE1 3.59Å; Y111-Y117 HydrophobicContact CD1-CE1 3.59Å; Y111-Y117 AromaticContact CD1-CZ 3.78Å; Y111-Y117 HydrophobicContact CE1-CD1 4.48Å; Y111-Y117 HydrophobicContact CE1-CE1 4.19Å; L112-Y117 PolarHBondContact N-OH 3.19Å; L112-Y117 PolarHBondContact O-OH 3.09Å; L112-Y117 VanDerWaalsContact O-OH 3.12Å; R115-Y117 HydrophobicContact CB-CE2 3.97Å; R115-Y117 WeakPolarHBondContact O-CD2 3.2Å; R115-Y117 WeakPolarHBondContact O-CE2 3.21Å
118	L	40.7	Very low	37.5	Very low	34 Å²	34	80.4 Å²	80.4	18%	0.178	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.1	168.2	177.8	67.1	0	0	0	108.9	I74 Q75 L77 Y140	I74-L118 CarbonylContact C-O 3.58Å; I74-L118 WeakPolarHBondContact CA-O 3.4Å; Q75-L118 HydrophobicContact CB-CB 4.36Å; Q75-L118 PolarHBondContact N-O 3.45Å; Q75-L118 PolarHBondContact O-N 2.81Å; L77-L118 HydrophobicContact CD2-CB 4.26Å; L77-L118 HydrophobicContact CG-CB 4.39Å; L118-Y140 HydrophobicContact CD1-CE1 3.86Å
119	I	40.4	Very low	37.9	Very low	22 Å²	22	82.6 Å²	82.6	11%	0.113	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.7	174.5	-58.5	164.8	0	0	0	108.1	I72 R73 I74 S138 L141	I72-I119 HydrophobicContact CG2-CG2 4.27Å; R73-I119 WeakPolarHBondContact O-CA 3.45Å; I74-I119 HydrophobicContact CG1-CG1 4.34Å; I74-I119 HydrophobicContact CG2-CG1 4.36Å; I119-S138 WeakPolarHBondContact O-CB 3.48Å; I119-L141 HydrophobicContact CD1-CB 4.05Å; I119-L141 HydrophobicContact CD1-CD1 3.34Å; I119-L141 HydrophobicContact CD1-CG 4.31Å
120	T	38.7	Very low	37.8	Very low	60 Å²	60	82.6 Å²	82.6	37%	0.368	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.7	178.5	32.8	0	0	0	0	109.7	I72 R73	I72-T120 CarbonylContact C-O 3.52Å; I72-T120 WeakPolarHBondContact CA-O 3.44Å; R73-T120 WeakPolarHBondContact CB-OG1 3.31Å; R73-T120 PolarHBondContact N-O 2.02Å; R73-T120 PolarHBondContact O-N 3.47Å; R73-T120 PolarHBondContact O-OG1 3.03Å
121	V	39.4	Very low	37.7	Very low	28 Å²	28	85.4 Å²	85.4	17%	0.17	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.7	172.7	-176.6	0	0	0	0	105.9	E71 I72 L136	E71-V121 WeakPolarHBondContact O-CA 3.24Å; I72-V121 HydrophobicContact CG1-CG1 4.48Å; I72-V121 HydrophobicContact CG1-CG2 4.27Å; V121-L136 HydrophobicContact CB-CD2 4.11Å; V121-L136 HydrophobicContact CG1-CD2 4.14Å
122	G	38.1	Very low	37.5	Very low	25 Å²	25	86.7 Å²	86.7	26%	0.258	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	167.4	-173.9	0	0	0	0	0	111.9	L70 E71	L70-G122 CarbonylContact C-O 3.55Å; L70-G122 WeakPolarHBondContact CA-O 3.29Å; E71-G122 PolarHBondContact N-O 2.88Å; E71-G122 PolarHBondContact O-N 3Å
123	P	37.4	Very low	37.1	Very low	95 Å²	95	86.8 Å²	86.8	62%	0.617	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	148.6	179.3	24.6	-31.8	0	0	0	112.6	G69 L125	G69-P123 CarbonylContact O-C 3.53Å; G69-P123 WeakPolarHBondContact O-CA 3.4Å; G69-P123 WeakPolarHBondContact O-CB 3.37Å; P123-L125 PolarHBondContact O-N 3.15Å
124	K	44.2	Very low	36.9	Very low	75 Å²	75	87.1 Å²	87.1	33%	0.326	51%	0.505	S	S	.	.			trans	-58.4	120.7	170	-88.3	-178.7	179.7	170.1	0	108.4	D67 G69 E71 H126	D67-K124 VanDerWaalsContact CB-NZ 3.27Å; D67-K124 PolarHBondContact O-NZ 3.22Å; D67-K124 WeakPolarHBondContact OD2-CE 3.29Å; D67-K124 IonicContact OD2-NZ 2.77Å; D67-K124 PolarHBondContact OD2-NZ 2.02Å; G69-K124 PolarHBondContact O-N 3.12Å; E71-K124 HydrophobicContact CB-CG 4.4Å; K124-H126 PolarHBondContact O-N 3.04Å
125	L	44.4	Very low	36.6	Very low	79 Å²	79	91.9 Å²	91.9	41%	0.414	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	12.6	-171.8	-108.5	150.3	0	0	0	116	C52 R73 P123	C52-L125 HydrophobicContact CB-CD1 4.08Å; C52-L125 HydrophobicContact CB-CD2 3.17Å; C52-L125 HydrophobicContact CB-CG 4.25Å; R73-L125 VanDerWaalsContact NH2-CD1 3.33Å; P123-L125 PolarHBondContact O-N 3.15Å
126	H	44.3	Very low	36	Very low	194 Å²	194	91.7 Å²	91.7	90%	0.898	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	25.8	-173.4	-79.9	-53.3	0	0	0	115.4	K124	K124-H126 PolarHBondContact O-N 3.04Å
127	S	34	Very low	35.5	Very low	56 Å²	56	91 Å²	91	39%	0.392	51%	0.507	S	S	.	.			trans	-114.5	115.9	169.4	70.6	0	0	0	0	112.4	T129	S127-T129 PolarHBondContact O-N 3.21Å
128	D	38.7	Very low	35	Very low	182 Å²	182	91.7 Å²	91.7	97%	0.973	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	12.1	179	-87.3	-34.5	0	0	0	116.4
129	T	35.3	Very low	34.4	Very low	116 Å²	116	92.9 Å²	92.9	71%	0.712	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	13.1	-177.2	45.6	0	0	0	0	113.8	S127 K131	S127-T129 PolarHBondContact O-N 3.21Å; T129-K131 VanDerWaalsContact C-N 3.35Å; T129-K131 PolarHBondContact O-N 3.33Å
130	A	30.2	Very low	33.7	Very low	93 Å²	93	95.5 Å²	95.5	77%	0.769	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	70.2	-178.2	0	0	0	0	0	113.3
131	K	30.5	Very low	33.1	Very low	203 Å²	203	94.2 Å²	94.2	88%	0.883	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	2.4	162.6	-86.5	-173.5	178.9	177	0	114.3	T129	T129-K131 VanDerWaalsContact C-N 3.35Å; T129-K131 PolarHBondContact O-N 3.33Å
132	N	32.8	Very low	32.5	Very low	128 Å²	128	94.3 Å²	94.3	68%	0.684	53%	0.525	S	S	*	.	S	Bend	trans	-106.4	116.4	179.2	-69.6	-12.2	0	0	0	110.5	L134	N132-L134 PolarHBondContact O-N 2.9Å
133	G	26.2	Very low	32	Very low	90 Å²	90	94.3 Å²	94.3	93%	0.928	52%	0.522	S	S	*	.			trans	-69.3	85.3	-175.3	0	0	0	0	0	113.7
134	L	27.7	Very low	31.4	Very low	113 Å²	113	93.3 Å²	93.3	59%	0.592	51%	0.514	S	S	*	.			trans	-105.7	117.2	167.9	-92.1	152.2	0	0	0	110.5	N132	N132-L134 PolarHBondContact O-N 2.9Å
135	R	26.8	Very low	30.6	Very low	151 Å²	151	91.7 Å²	91.7	57%	0.57	51%	0.511	S	S	*	.			trans	-84.2	132.3	174.9	-80.9	172	158.7	136.5	-7	109.8	S210	R135-S210 PolarHBondContact NE-O 2.63Å; R135-S210 PolarHBondContact NH2-O 2.96Å; R135-S210 PolarHBondContact NH2-OG 3.17Å
136	L	28.7	Very low	29.8	Very low	86 Å²	86	91.2 Å²	91.2	45%	0.45	51%	0.509	S	S	.	.			trans	-145.2	127.5	165.6	-133.1	145.9	0	0	0	108.7	V121	V121-L136 HydrophobicContact CB-CD2 4.11Å; V121-L136 HydrophobicContact CG1-CD2 4.14Å
137	E	27.5	Very low	28.9	Very low	56 Å²	56	83.6 Å²	83.6	26%	0.262	48%	0.483	S	S	.	.			trans	-126.7	141.6	-168.1	-69.5	-179	84.4	0	0	112.2	C211 L212	E137-C211 VanDerWaalsContact CD-C 3.43Å; E137-C211 HydrophobicContact CG-CB 4.49Å; E137-C211 WeakPolarHBondContact OE1-CA 3.37Å; E137-C211 WeakPolarHBondContact OE1-CB 3.22Å; E137-C211 PolarHBondContact OE1-SG 2.95Å; E137-C211 VanDerWaalsContact OE1-SG 3.34Å; E137-C211 VanDerWaalsContact OE2-CA 3.31Å; E137-C211 WeakPolarHBondContact OE2-CA 3.18Å; E137-L212 WeakPolarHBondContact CB-O 3.45Å; E137-L212 WeakPolarHBondContact OE1-CA 2.96Å; E137-L212 PolarHBondContact OE1-N 3.47Å; E137-L212 WeakPolarHBondContact OE2-CA 3.03Å; E137-L212 WeakPolarHBondContact OE2-CB 3.11Å; E137-L212 PolarHBondContact OE2-N 3.19Å
138	S	28.2	Very low	28.7	Very low	39 Å²	39	82.9 Å²	82.9	27%	0.273	48%	0.478	S	S	.	.			trans	-67.6	148.4	-161.1	47	0	0	0	0	115.9	I119	I119-S138 WeakPolarHBondContact O-CB 3.48Å
139	V	28.4	Very low	28.3	Very low	60 Å²	60	79.7 Å²	79.7	36%	0.364	47%	0.467	S	S	.	.			trans	-113.6	133.5	174.1	177.9	0	0	0	0	110
140	Y	25.3	Very low	28.1	Very low	77 Å²	77	82.6 Å²	82.6	30%	0.302	47%	0.473	S	S	.	.			trans	-91.5	139.7	175.5	-71.8	-91.9	0	0	0	111.8	L77 L118	L77-Y140 HydrophobicContact CD1-CE1 4.12Å; L118-Y140 HydrophobicContact CD1-CE1 3.86Å
141	L	27.5	Very low	28.2	Very low	32 Å²	32	80.7 Å²	80.7	17%	0.168	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.1	173.7	-92.8	128.3	0	0	0	111.4	I119 F176 I218	I119-L141 HydrophobicContact CD1-CB 4.05Å; I119-L141 HydrophobicContact CD1-CD1 3.34Å; I119-L141 HydrophobicContact CD1-CG 4.31Å; L141-F176 HydrophobicContact CD1-CE1 3.79Å; L141-F176 HydrophobicContact CD1-CE2 4.13Å; L141-F176 HydrophobicContact CD1-CZ 3.24Å; L141-F176 HydrophobicContact CD2-CD1 4.14Å; L141-F176 HydrophobicContact CD2-CE1 3.49Å; L141-F176 VanDerWaalsContact CD2-CE1 3.49Å; L141-F176 HydrophobicContact CD2-CE2 4.17Å; L141-F176 HydrophobicContact CD2-CZ 3.54Å; L141-F176 HydrophobicContact CG-CE1 4.28Å; L141-F176 HydrophobicContact CG-CZ 4.05Å; L141-I218 HydrophobicContact CD2-CD1 3.52Å; L141-I218 HydrophobicContact CG-CD1 4.1Å
142	T	25.8	Very low	28.3	Very low	30 Å²	30	80.2 Å²	80.2	18%	0.184	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.7	169.9	-6.3	0	0	0	0	108.9	D116	D116-T142 WeakPolarHBondContact OD1-CG2 3.08Å
143	A	27.2	Very low	28.3	Very low	25 Å²	25	80.4 Å²	80.4	21%	0.207	45%	0.451	C	S	.	.			trans	-94.9	118.6	176.5	0	0	0	0	0	110.3	G114 Y178	G114-A143 WeakPolarHBondContact CA-O 3.33Å; G114-A143 PolarHBondContact N-O 2.82Å; A143-Y178 WeakPolarHBondContact CB-OH 3.4Å
144	V	25.6	Very low	28.5	Very low	74 Å²	74	80.9 Å²	80.9	45%	0.448	43%	0.428	S	S	.	.			trans	-131.5	126.4	170.7	-176	0	0	0	0	108.7	P220	V144-P220 HydrophobicContact CB-CG 4.04Å; V144-P220 HydrophobicContact CG1-CG 4.48Å
145	P	27.5	Very low	28.7	Very low	41 Å²	41	84.2 Å²	84.2	27%	0.266	44%	0.44	S	S	.	.			trans	-77.2	131.4	-179.4	29.6	-31.1	0	0	0	110.9	F154	P145-F154 HydrophobicContact CB-CZ 4.12Å; P145-F154 HydrophobicContact CG-CE1 4.38Å; P145-F154 HydrophobicContact CG-CZ 3.94Å
146	L	27.2	Very low	28.8	Very low	69 Å²	69	85 Å²	85	36%	0.361	45%	0.45	S	S	.	.			trans	-118.6	91	164.5	-79.7	-164	0	0	0	110.5	P220	L146-P220 HydrophobicContact CB-CB 4.44Å; L146-P220 HydrophobicContact CD1-CB 3.73Å; L146-P220 HydrophobicContact CD1-CG 4.23Å; L146-P220 WeakPolarHBondContact CD1-O 3.26Å; L146-P220 HydrophobicContact CG-CB 3.83Å; L146-P220 HydrophobicContact CG-CG 3.94Å
147	G	26.3	Very low	28.9	Very low	34 Å²	34	84 Å²	84	35%	0.351	45%	0.451	S	S	.	.			trans	-90	158.5	147.8	0	0	0	0	0	109.4
148	S	28.7	Very low	28.9	Very low	42 Å²	42	90.1 Å²	90.1	29%	0.294	48%	0.476	S	S	.	.			trans	-57.9	150.5	167.5	54.2	0	0	0	0	109.5	E150	S148-E150 PolarHBondContact O-N 2.95Å
149	P	31	Very low	29	Very low	115 Å²	115	90.6 Å²	90.6	75%	0.747	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	5.8	173.1	-15.8	29.8	0	0	0	114.2
150	E	31.4	Very low	29	Very low	177 Å²	177	97.7 Å²	97.7	83%	0.827	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.7	4.9	-165.9	-69.6	175.3	175.3	0	0	113.7	S148	S148-E150 PolarHBondContact O-N 2.95Å
151	S	32.1	Very low	29.1	Very low	52 Å²	52	97.3 Å²	97.3	36%	0.364	51%	0.507	S	S	.	.			trans	-110.2	125.8	171.7	71.1	0	0	0	0	112.7	E153	S151-E153 PolarHBondContact O-N 2.96Å
152	E	32.6	Very low	29.1	Very low	194 Å²	194	101.2 Å²	101.2	91%	0.907	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-63.2	-0.7	177.9	-69	-174.9	153.3	0	0	114.3	F154	E152-F154 PolarHBondContact O-N 2.97Å
153	E	33	Very low	29.3	Very low	131 Å²	131	100.7 Å²	100.7	61%	0.612	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-78.4	2.1	-178.5	-69.6	-174.1	153.8	0	0	114.5	S151 H155 Q156	S151-E153 PolarHBondContact O-N 2.96Å; E153-H155 PolarHBondContact O-N 3Å; E153-H155 VanDerWaalsContact O-N 3.09Å; E153-Q156 PolarHBondContact O-N 2.85Å
154	F	29.6	Very low	29.2	Very low	100 Å²	100	102.5 Å²	102.5	44%	0.439	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-63.6	-19.6	-174	-145	-94.8	0	0	0	114.3	P145 E152	P145-F154 HydrophobicContact CB-CZ 4.12Å; P145-F154 HydrophobicContact CG-CE1 4.38Å; P145-F154 HydrophobicContact CG-CZ 3.94Å; E152-F154 PolarHBondContact O-N 2.97Å
155	H	32.6	Very low	29.3	Very low	183 Å²	183	103.4 Å²	103.4	85%	0.847	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-87.2	-2.7	-176.6	-71.8	-69.4	0	0	0	115.6	E153	E153-H155 PolarHBondContact O-N 3Å; E153-H155 VanDerWaalsContact O-N 3.09Å
156	Q	29.5	Very low	29.2	Very low	169 Å²	169	104.9 Å²	104.9	79%	0.79	55%	0.548	S	S	*	.			trans	-115.5	4.9	-176	-66.1	-174.6	10.2	0	0	115.7	E153 K158	E153-Q156 PolarHBondContact O-N 2.85Å; Q156-K158 VanDerWaalsContact C-N 3.29Å; Q156-K158 PolarHBondContact O-N 3.05Å
157	S	29.1	Very low	29.1	Very low	65 Å²	65	107.9 Å²	107.9	46%	0.455	58%	0.575	S	S	.	*			trans	-76.8	65.5	-176.5	56.9	0	0	0	0	114.2	G159	S157-G159 PolarHBondContact O-N 2.83Å
158	K	28.9	Very low	29.2	Very low	184 Å²	184	110 Å²	110	80%	0.8	58%	0.578	S	S	*	*			trans	-84.7	92	166.5	-69.4	-179.5	-179.9	176.6	0	109.6	Q156	Q156-K158 VanDerWaalsContact C-N 3.29Å; Q156-K158 PolarHBondContact O-N 3.05Å
159	G	29.2	Very low	29.1	Very low	49 Å²	49	115.9 Å²	115.9	51%	0.505	60%	0.6	S	S	.	*			trans	-67.6	137.9	173.9	0	0	0	0	0	112.3	S157	S157-G159 PolarHBondContact O-N 2.83Å
160	R	27.9	Very low	29	Very low	209 Å²	209	112 Å²	112	79%	0.789	58%	0.578	S	S	*	*			trans	-110.6	127.5	177.9	-157.4	-179	-165.6	-174.4	4.4	109.3
161	F	29.2	Very low	28.8	Very low	68 Å²	68	106.1 Å²	106.1	30%	0.298	55%	0.552	S	S	.	*			trans	-83.3	126.9	175.2	-175.3	-104.5	0	0	0	110.4	I62 P163 I174 F176	I62-F161 HydrophobicContact CD1-CD1 4.08Å; I62-F161 HydrophobicContact CD1-CE1 3.65Å; F161-P163 HydrophobicContact CD1-CG 4.19Å; F161-P163 HydrophobicContact CE1-CB 3.77Å; F161-P163 HydrophobicContact CE1-CG 3.7Å; F161-P163 HydrophobicContact CZ-CB 4.14Å; F161-I174 HydrophobicContact CE2-CG2 3.8Å; F161-I174 HydrophobicContact CZ-CG2 3.99Å; F161-F176 HydrophobicContact CE2-CE1 4.24Å
162	M	27.6	Very low	28.6	Very low	114 Å²	114	103.9 Å²	103.9	56%	0.562	54%	0.537	S	S	*	.			trans	-127.5	99.7	169.2	-86.8	-177.5	67.3	0	0	109.5	T164	M162-T164 PolarHBondContact O-N 3.07Å; M162-T164 PolarHBondContact O-OG1 3.17Å
163	P	28.1	Very low	28.3	Very low	20 Å²	20	95.4 Å²	95.4	13%	0.13	50%	0.5	C	S	.	.			trans	-66.8	129.7	170.6	26.9	-26.6	0	0	0	108.1	I62 R64 F161	I62-P163 HydrophobicContact CD1-CG 4.44Å; I62-P163 HydrophobicContact CG2-CG 4.06Å; R64-P163 PolarHBondContact NH2-O 3.34Å; F161-P163 HydrophobicContact CD1-CG 4.19Å; F161-P163 HydrophobicContact CE1-CB 3.77Å; F161-P163 HydrophobicContact CE1-CG 3.7Å; F161-P163 HydrophobicContact CZ-CB 4.14Å
164	T	26.3	Very low	28.3	Very low	62 Å²	62	90.2 Å²	90.2	38%	0.38	48%	0.476	S	S	.	.			trans	-123.4	109.1	176.6	-38.6	0	0	0	0	106.6	M162	M162-T164 PolarHBondContact O-N 3.07Å; M162-T164 PolarHBondContact O-OG1 3.17Å
165	V	27.9	Very low	28.3	Very low	94 Å²	94	90.2 Å²	90.2	57%	0.57	47%	0.473	S	S	*	.			trans	-98.4	127.8	177.3	-177.6	0	0	0	0	107.5
166	C	24.6	Very low	28.3	Very low	72 Å²	72	83.1 Å²	83.1	49%	0.486	44%	0.44	S	S	.	.			trans	-74.6	152.4	176.7	-62.2	0	0	0	0	110.3	N168	C166-N168 PolarHBondContact O-N 2.77Å
167	S	26	Very low	28.3	Very low	131 Å²	131	77.1 Å²	77.1	92%	0.916	42%	0.419	S	S	*	.	S	Bend	trans	-65.1	7.7	-172.6	37.7	0	0	0	0	116.4
168	N	27.5	Very low	28.3	Very low	78 Å²	78	80.5 Å²	80.5	42%	0.417	42%	0.423	S	S	.	.			trans	-111	123.6	-177	-171	-14.9	0	0	0	111.5	C166 A170 I171	C166-N168 PolarHBondContact O-N 2.77Å; N168-A170 PolarHBondContact O-N 3.36Å; N168-A170 PolarHBondContact OD1-N 2.64Å; N168-I171 PolarHBondContact O-N 3.22Å; N168-I171 VanDerWaalsContact O-O 3.09Å
169	H	27.1	Very low	28.3	Very low	166 Å²	166	77.8 Å²	77.8	77%	0.769	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.8	178.7	-60.2	-67.7	0	0	0	114.5
170	A	28.9	Very low	28.2	Very low	33 Å²	33	83.3 Å²	83.3	27%	0.273	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-8.2	177.9	0	0	0	0	0	114.3	N168 T189 S190	N168-A170 PolarHBondContact O-N 3.36Å; N168-A170 PolarHBondContact OD1-N 2.64Å; A170-T189 CarbonylContact O-C 3.53Å; A170-T189 VanDerWaalsContact O-CA 3.3Å; A170-T189 WeakPolarHBondContact O-CA 3.32Å; A170-S190 PolarHBondContact O-N 2.77Å
171	I	26.7	Very low	28.2	Very low	55 Å²	55	78.4 Å²	78.4	28%	0.282	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	123.6	-170.6	-49.7	-176.6	0	0	0	111	N168 V187 W188 T189	N168-I171 PolarHBondContact O-N 3.22Å; N168-I171 VanDerWaalsContact O-O 3.09Å; I171-V187 HydrophobicContact CG2-CG1 3.68Å; I171-W188 WeakPolarHBondContact CA-O 3.45Å; I171-T189 HydrophobicContact CG1-CG2 4.22Å
172	G	27.4	Very low	28.2	Very low	4 Å²	4	79.3 Å²	79.3	4%	0.041	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	152.9	171.4	0	0	0	0	0	112.2	V187 W188	G172-V187 WeakPolarHBondContact O-CA 3.47Å; G172-W188 PolarHBondContact N-O 3.47Å; G172-W188 VanDerWaalsContact N-O 3.12Å; G172-W188 VanDerWaalsContact O-CE3 3.25Å; G172-W188 PolarHBondContact O-N 3.27Å
173	A	28.3	Very low	28.4	Very low	16 Å²	16	79.4 Å²	79.4	13%	0.132	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.5	174.3	0	0	0	0	0	113	F186 V187	A173-F186 CarbonylContact C-O 3.53Å; A173-F186 WeakPolarHBondContact CA-O 3.02Å; A173-F186 WeakPolarHBondContact CB-O 3.44Å; A173-V187 HydrophobicContact CB-CG2 4.34Å
174	I	31.7	Very low	28.6	Very low	22 Å²	22	80.2 Å²	80.2	11%	0.113	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.5	166.9	-65.6	163.2	0	0	0	108.3	F161 F176 S185 F186 W188	F161-I174 HydrophobicContact CE2-CG2 3.8Å; F161-I174 HydrophobicContact CZ-CG2 3.99Å; I174-F176 HydrophobicContact CB-CE2 4.3Å; I174-F176 HydrophobicContact CG2-CD2 4.22Å; I174-F176 HydrophobicContact CG2-CE1 4.34Å; I174-F176 HydrophobicContact CG2-CE2 3.48Å; I174-F176 VanDerWaalsContact CG2-CE2 3.48Å; I174-F176 HydrophobicContact CG2-CZ 3.53Å; I174-S185 WeakPolarHBondContact O-CA 3.44Å; I174-F186 PolarHBondContact N-O 2.8Å; I174-F186 PolarHBondContact O-N 2.97Å; I174-W188 HydrophobicContact CD1-CH2 4.43Å; I174-W188 HydrophobicContact CD1-CZ3 4.1Å; I174-W188 HydrophobicContact CG1-CH2 4.19Å; I174-W188 HydrophobicContact CG1-CZ3 3.89Å
175	R	30.9	Very low	28.7	Very low	101 Å²	101	80.8 Å²	80.8	38%	0.381	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.2	177.3	-171.3	177.6	-175.6	171.5	2.3	110.2	H183	R175-H183 PolarHBondContact NH2-CD2 3.39Å; R175-H183 VanDerWaalsContact NH2-CD2 3.34Å; R175-H183 PolarHBondContact NH2-CE1 3.47Å; R175-H183 PolarHBondContact NH2-NE2 3.48Å
176	F	32.6	Very low	28.9	Very low	34 Å²	34	79.3 Å²	79.3	15%	0.149	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.7	170	-65.7	-84.5	0	0	0	109.3	L141 F161 I174 V184 F186	L141-F176 HydrophobicContact CD1-CE1 3.79Å; L141-F176 HydrophobicContact CD1-CE2 4.13Å; L141-F176 HydrophobicContact CD1-CZ 3.24Å; L141-F176 HydrophobicContact CD2-CD1 4.14Å; L141-F176 HydrophobicContact CD2-CE1 3.49Å; L141-F176 VanDerWaalsContact CD2-CE1 3.49Å; L141-F176 HydrophobicContact CD2-CE2 4.17Å; L141-F176 HydrophobicContact CD2-CZ 3.54Å; L141-F176 HydrophobicContact CG-CE1 4.28Å; L141-F176 HydrophobicContact CG-CZ 4.05Å; F161-F176 HydrophobicContact CE2-CE1 4.24Å; I174-F176 HydrophobicContact CB-CE2 4.3Å; I174-F176 HydrophobicContact CG2-CD2 4.22Å; I174-F176 HydrophobicContact CG2-CE1 4.34Å; I174-F176 HydrophobicContact CG2-CE2 3.48Å; I174-F176 VanDerWaalsContact CG2-CE2 3.48Å; I174-F176 HydrophobicContact CG2-CZ 3.53Å; F176-V184 HydrophobicContact CB-CB 4.34Å; F176-V184 PolarHBondContact N-O 2.81Å; F176-F186 AromaticContact CD2-CD2 3.7Å; F176-F186 HydrophobicContact CD2-CD2 3.7Å; F176-F186 AromaticContact CD2-CE2 3.5Å; F176-F186 HydrophobicContact CD2-CE2 3.5Å; F176-F186 AromaticContact CE2-CD2 3.32Å; F176-F186 HydrophobicContact CE2-CD2 3.32Å; F176-F186 AromaticContact CE2-CE2 3.24Å; F176-F186 HydrophobicContact CE2-CE2 3.24Å; F176-F186 HydrophobicContact CE2-CZ 4.42Å; F176-F186 HydrophobicContact CZ-CE2 4.33Å
177	A	29.3	Very low	29.1	Very low	43 Å²	43	80.3 Å²	80.3	36%	0.355	43%	0.43	S	S	.	.			trans	-99.3	103.5	171.9	0	0	0	0	0	109.3
178	Y	28.7	Very low	29.5	Very low	135 Å²	135	77.6 Å²	77.6	53%	0.529	40%	0.4	S	S	.	.			trans	-105.4	146.4	163.4	-90.3	-90	0	0	0	108.9	A143 F180	A143-Y178 WeakPolarHBondContact CB-OH 3.4Å; Y178-F180 VanDerWaalsContact C-N 3.29Å; Y178-F180 PolarHBondContact O-N 3.4Å
179	N	29.5	Very low	29.5	Very low	127 Å²	127	79 Å²	79	68%	0.679	41%	0.412	S	S	*	.	S	Bend	trans	-72.2	70.9	-179.4	-78.8	-8.4	0	0	0	112.3
180	F	26	Very low	29.6	Very low	165 Å²	165	73.3 Å²	73.3	72%	0.724	39%	0.39	S	S	*	.	S	Bend	trans	-173.7	154.5	157.8	-100.2	-76.2	0	0	0	107.3	Y178 N182	Y178-F180 VanDerWaalsContact C-N 3.29Å; Y178-F180 PolarHBondContact O-N 3.4Å; F180-N182 VanDerWaalsContact C-N 3.28Å; F180-N182 PolarHBondContact O-N 2.98Å
181	P	27.9	Very low	29.6	Very low	106 Å²	106	76.3 Å²	76.3	69%	0.688	41%	0.407	S	S	*	.	S	Bend		-78.4	16	-128.4	36	-29.4	0	0	0	116.7
182	N	30.2	Very low	29.7	Very low	88 Å²	88	77.7 Å²	77.7	47%	0.471	43%	0.427	S	S	.	.			trans	-125.5	126.1	-178	-66.8	-37.5	0	0	0	111.4	F180	F180-N182 VanDerWaalsContact C-N 3.28Å; F180-N182 PolarHBondContact O-N 2.98Å
183	H	31.8	Very low	29.7	Very low	115 Å²	115	84.6 Å²	84.6	53%	0.532	46%	0.463	S	S	.	.			trans	-81.8	144.5	177.2	-57.9	-60.6	0	0	0	111.2	R175	R175-H183 PolarHBondContact NH2-CD2 3.39Å; R175-H183 VanDerWaalsContact NH2-CD2 3.34Å; R175-H183 PolarHBondContact NH2-CE1 3.47Å; R175-H183 PolarHBondContact NH2-NE2 3.48Å
184	V	31.7	Very low	29.8	Very low	38 Å²	38	88.6 Å²	88.6	23%	0.23	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.7	164.2	-175.1	0	0	0	0	108	F176 F186 F226	F176-V184 HydrophobicContact CB-CB 4.34Å; F176-V184 PolarHBondContact N-O 2.81Å; V184-F186 HydrophobicContact CG1-CD2 4.26Å; V184-F186 HydrophobicContact CG1-CE2 3.68Å; V184-F186 HydrophobicContact CG1-CZ 4.21Å; V184-F226 HydrophobicContact CG2-CD2 4.48Å; V184-F226 HydrophobicContact CG2-CE1 3.74Å; V184-F226 HydrophobicContact CG2-CE2 3.56Å; V184-F226 HydrophobicContact CG2-CZ 3.13Å
185	S	28.7	Very low	29.6	Very low	73 Å²	73	95.9 Å²	95.9	51%	0.51	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.5	176.3	-61.2	0	0	0	0	108.8	I174	I174-S185 WeakPolarHBondContact O-CA 3.44Å
186	F	31.5	Very low	29.3	Very low	64 Å²	64	96.6 Å²	96.6	28%	0.281	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.5	167.3	-66.5	-98.6	0	0	0	107.4	A173 I174 F176 V184 F228	A173-F186 CarbonylContact C-O 3.53Å; A173-F186 WeakPolarHBondContact CA-O 3.02Å; A173-F186 WeakPolarHBondContact CB-O 3.44Å; I174-F186 PolarHBondContact N-O 2.8Å; I174-F186 PolarHBondContact O-N 2.97Å; F176-F186 AromaticContact CD2-CD2 3.7Å; F176-F186 HydrophobicContact CD2-CD2 3.7Å; F176-F186 AromaticContact CD2-CE2 3.5Å; F176-F186 HydrophobicContact CD2-CE2 3.5Å; F176-F186 AromaticContact CE2-CD2 3.32Å; F176-F186 HydrophobicContact CE2-CD2 3.32Å; F176-F186 AromaticContact CE2-CE2 3.24Å; F176-F186 HydrophobicContact CE2-CE2 3.24Å; F176-F186 HydrophobicContact CE2-CZ 4.42Å; F176-F186 HydrophobicContact CZ-CE2 4.33Å; V184-F186 HydrophobicContact CG1-CD2 4.26Å; V184-F186 HydrophobicContact CG1-CE2 3.68Å; V184-F186 HydrophobicContact CG1-CZ 4.21Å; F186-F228 HydrophobicContact CE1-CE1 4.42Å
187	V	29.7	Very low	29	Very low	93 Å²	93	101.1 Å²	101.1	56%	0.564	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116	134.5	177.6	-177.3	0	0	0	0	108	I171 G172 A173	I171-V187 HydrophobicContact CG2-CG1 3.68Å; G172-V187 WeakPolarHBondContact O-CA 3.47Å; A173-V187 HydrophobicContact CB-CG2 4.34Å
188	W	33.7	Very low	28.8	Very low	73 Å²	73	105.1 Å²	105.1	28%	0.277	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.7	149.2	169.6	67.4	89.9	0	0	0	110.5	I171 G172 I174	I171-W188 WeakPolarHBondContact CA-O 3.45Å; G172-W188 PolarHBondContact N-O 3.47Å; G172-W188 VanDerWaalsContact N-O 3.12Å; G172-W188 VanDerWaalsContact O-CE3 3.25Å; G172-W188 PolarHBondContact O-N 3.27Å; I174-W188 HydrophobicContact CD1-CH2 4.43Å; I174-W188 HydrophobicContact CD1-CZ3 4.1Å; I174-W188 HydrophobicContact CG1-CH2 4.19Å; I174-W188 HydrophobicContact CG1-CZ3 3.89Å
189	T	28	Very low	28.6	Very low	108 Å²	108	106 Å²	106	66%	0.663	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.1	136	172.7	56.3	0	0	0	0	110	A170 I171	A170-T189 CarbonylContact O-C 3.53Å; A170-T189 VanDerWaalsContact O-CA 3.3Å; A170-T189 WeakPolarHBondContact O-CA 3.32Å; I171-T189 HydrophobicContact CG1-CG2 4.22Å
190	S	28.4	Very low	28.4	Very low	46 Å²	46	108.9 Å²	108.9	32%	0.322	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-81.7	140.7	163.9	168.4	0	0	0	0	108.5	A170 A192	A170-S190 PolarHBondContact O-N 2.77Å; S190-A192 PolarHBondContact O-N 2.84Å
191	P	28.3	Very low	28.3	Very low	97 Å²	97	111.3 Å²	111.3	63%	0.63	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-53.5	134.8	166.3	-19	29.9	0	0	0	110	N193	P191-N193 PolarHBondContact O-N 2.97Å
192	A	30.1	Very low	28.1	Very low	84 Å²	84	112.7 Å²	112.7	69%	0.694	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-68.3	125.1	174.4	0	0	0	0	0	109.6	S190 S194	S190-A192 PolarHBondContact O-N 2.84Å; A192-S194 VanDerWaalsContact C-N 3.29Å; A192-S194 PolarHBondContact O-N 2.79Å
193	N	27.4	Very low	27.8	Very low	148 Å²	148	112.9 Å²	112.9	79%	0.791	63%	0.633	S	S	*	*			trans	-69.1	87.5	164.5	-81	-25	0	0	0	108.4	P191	P191-N193 PolarHBondContact O-N 2.97Å
194	S	28.8	Very low	27.5	Very low	101 Å²	101	115.3 Å²	115.3	71%	0.706	65%	0.65	S	S	*	*			trans	-101.6	101.1	163.7	59.6	0	0	0	0	110.1	A192	A192-S194 VanDerWaalsContact C-N 3.29Å; A192-S194 PolarHBondContact O-N 2.79Å
195	E	29	Very low	27.2	Very low	174 Å²	174	118.4 Å²	118.4	81%	0.813	68%	0.679	S	S	*	*			trans	58	108.6	140.9	-62.4	-176.2	165.3	0	0	119.2	T197	E195-T197 PolarHBondContact O-N 2.73Å
196	S	23.6	Very low	27	Very low	116 Å²	116	123.2 Å²	123.2	81%	0.811	69%	0.694	S	S	*	*			trans	-23.6	109.9	148.1	55.7	0	0	0	0	114.7
197	T	27.6	Very low	26.6	Very low	130 Å²	130	125.1 Å²	125.1	80%	0.798	72%	0.715	S	S	*	*			trans	-146.9	108.9	144.7	23.4	0	0	0	0	109.5	E195	E195-T197 PolarHBondContact O-N 2.73Å
198	T	23.7	Very low	26.3	Very low	127 Å²	127	128.9 Å²	128.9	78%	0.779	72%	0.724	S	S	*	*			trans	-14.7	130.1	158.7	45.7	0	0	0	0	116.2
199	L	24.9	Very low	25.8	Very low	153 Å²	153	133.4 Å²	133.4	80%	0.801	75%	0.753	S	S	*	*				-173.2	110.2	127.9	-97.9	147.6	0	0	0	113
200	K	25.1	Very low	25.7	Very low	188 Å²	188	131.6 Å²	131.6	82%	0.817	75%	0.746	S	S	*	*			trans	65.5	100.8	146.6	-72.7	175.2	-177.5	-176.5	0	120.3
201	Y	23.2	Very low	25.4	Very low	215 Å²	215	134.7 Å²	134.7	84%	0.843	77%	0.766	S	S	*	*			trans	-31.2	125.6	149.5	-119.7	-106.2	0	0	0	114.6	P203	Y201-P203 HydrophobicContact CD1-CB 3.99Å; Y201-P203 HydrophobicContact CD1-CG 4.1Å; Y201-P203 HydrophobicContact CE1-CB 3.99Å; Y201-P203 HydrophobicContact CE1-CG 4.48Å
202	T	25.2	Very low	25.3	Very low	135 Å²	135	133.7 Å²	133.7	83%	0.828	76%	0.755	S	S	*	*			trans	-122	111	142.6	37.1	0	0	0	0	107.5	N204	T202-N204 PolarHBondContact O-N 2.95Å
203	P	24.2	Very low	25.1	Very low	92 Å²	92	134.4 Å²	134.4	60%	0.597	74%	0.744	S	S	*	*			trans	-82	107.3	179.1	30.3	-24.8	0	0	0	107.9	Y201	Y201-P203 HydrophobicContact CD1-CB 3.99Å; Y201-P203 HydrophobicContact CD1-CG 4.1Å; Y201-P203 HydrophobicContact CE1-CB 3.99Å; Y201-P203 HydrophobicContact CE1-CG 4.48Å
204	N	24.6	Very low	25.1	Very low	167 Å²	167	131.3 Å²	131.3	89%	0.893	73%	0.726	S	S	*	*			trans	165.7	78.4	153	-84.8	-16.1	0	0	0	109.8	T202	T202-N204 PolarHBondContact O-N 2.95Å
205	A	24.8	Very low	24.9	Very low	102 Å²	102	131 Å²	131	84%	0.843	71%	0.709	S	S	*	*			trans	-153.9	114.6	158	0	0	0	0	0	108.7
206	Q	25.2	Very low	24.9	Very low	174 Å²	174	123.4 Å²	123.4	81%	0.813	68%	0.677	S	S	*	*			trans	-60.4	143.9	-178.5	-73	162.3	-35.1	0	0	111.9	F208	Q206-F208 PolarHBondContact O-N 2.74Å
207	S	23.1	Very low	25.1	Very low	104 Å²	104	120.6 Å²	120.6	73%	0.727	66%	0.655	S	S	*	*			trans	-44.9	124.5	170.3	53.6	0	0	0	0	113.7
208	F	24	Very low	25.2	Very low	173 Å²	173	116.2 Å²	116.2	76%	0.759	63%	0.626	S	S	*	*			trans	-127.4	95.6	158.6	-76.9	-79.6	0	0	0	109.9	Q206 S210	Q206-F208 PolarHBondContact O-N 2.74Å; F208-S210 PolarHBondContact O-N 2.91Å
209	N	23.7	Very low	25.5	Very low	167 Å²	167	113.7 Å²	113.7	89%	0.893	61%	0.607	S	S	*	*			trans	-62.6	111.6	157	-72.5	-17.9	0	0	0	107.3
210	S	24.4	Very low	25.7	Very low	71 Å²	71	108 Å²	108	50%	0.497	58%	0.579	S	S	.	*			trans	-133.4	131.4	172.3	54.8	0	0	0	0	111.3	R135 F208	R135-S210 PolarHBondContact NE-O 2.63Å; R135-S210 PolarHBondContact NH2-O 2.96Å; R135-S210 PolarHBondContact NH2-OG 3.17Å; F208-S210 PolarHBondContact O-N 2.91Å
211	C	22.7	Very low	25.9	Very low	110 Å²	110	103.7 Å²	103.7	74%	0.743	56%	0.561	S	S	*	*			trans	-100.8	122.2	179.5	-92.1	0	0	0	0	108.5	E137	E137-C211 VanDerWaalsContact CD-C 3.43Å; E137-C211 HydrophobicContact CG-CB 4.49Å; E137-C211 WeakPolarHBondContact OE1-CA 3.37Å; E137-C211 WeakPolarHBondContact OE1-CB 3.22Å; E137-C211 PolarHBondContact OE1-SG 2.95Å; E137-C211 VanDerWaalsContact OE1-SG 3.34Å; E137-C211 VanDerWaalsContact OE2-CA 3.31Å; E137-C211 WeakPolarHBondContact OE2-CA 3.18Å
212	L	25.8	Very low	26.3	Very low	77 Å²	77	98.5 Å²	98.5	40%	0.403	54%	0.544	S	S	.	.			trans	-73.4	102.7	159.2	-173.5	75.9	0	0	0	112.9	E137 I214 L234	E137-L212 WeakPolarHBondContact CB-O 3.45Å; E137-L212 WeakPolarHBondContact OE1-CA 2.96Å; E137-L212 PolarHBondContact OE1-N 3.47Å; E137-L212 WeakPolarHBondContact OE2-CA 3.03Å; E137-L212 WeakPolarHBondContact OE2-CB 3.11Å; E137-L212 PolarHBondContact OE2-N 3.19Å; L212-I214 HydrophobicContact CD2-CD1 4.36Å; L212-I214 HydrophobicContact CD2-CG1 4.25Å; L212-I214 HydrophobicContact CG-CG1 4.39Å; L212-I214 PolarHBondContact O-N 3.32Å; L212-L234 HydrophobicContact CD1-CD2 4.37Å
213	E	25.5	Very low	26.4	Very low	98 Å²	98	101.1 Å²	101.1	46%	0.458	54%	0.539	S	S	.	.			trans	-78.3	113.7	169.6	-171.6	-175.7	-179.1	0	0	111.2	R215	E213-R215 VanDerWaalsContact CD-NH2 3.29Å; E213-R215 HydrophobicContact CG-CG 4.22Å; E213-R215 IonicContact OE1-CZ 2.68Å; E213-R215 IonicContact OE1-NE 3.78Å; E213-R215 PolarHBondContact OE1-NE 3.07Å; E213-R215 IonicContact OE1-NH2 3.01Å; E213-R215 PolarHBondContact OE1-NH2 2.99Å; E213-R215 IonicContact OE2-CZ 2.8Å; E213-R215 IonicContact OE2-NE 3.03Å; E213-R215 IonicContact OE2-NH2 2.72Å; E213-R215 PolarHBondContact OE2-NH2 3.22Å
214	I	27.2	Very low	26.7	Very low	83 Å²	83	102.4 Å²	102.4	43%	0.426	54%	0.536	S	S	.	.			trans	-96.7	112.8	168.6	-57.6	177.3	0	0	0	109.2	L212	L212-I214 HydrophobicContact CD2-CD1 4.36Å; L212-I214 HydrophobicContact CD2-CG1 4.25Å; L212-I214 HydrophobicContact CG-CG1 4.39Å; L212-I214 PolarHBondContact O-N 3.32Å
215	R	26.4	Very low	27	Very low	94 Å²	94	97.6 Å²	97.6	36%	0.355	51%	0.506	S	S	.	.			trans	-96	123.7	170.8	-69.3	177.7	179.4	162.4	9	108.7	E213 S231	E213-R215 VanDerWaalsContact CD-NH2 3.29Å; E213-R215 HydrophobicContact CG-CG 4.22Å; E213-R215 IonicContact OE1-CZ 2.68Å; E213-R215 IonicContact OE1-NE 3.78Å; E213-R215 PolarHBondContact OE1-NE 3.07Å; E213-R215 IonicContact OE1-NH2 3.01Å; E213-R215 PolarHBondContact OE1-NH2 2.99Å; E213-R215 IonicContact OE2-CZ 2.8Å; E213-R215 IonicContact OE2-NE 3.03Å; E213-R215 IonicContact OE2-NH2 2.72Å; E213-R215 PolarHBondContact OE2-NH2 3.22Å; R215-S231 WeakPolarHBondContact CB-OG 3.07Å; R215-S231 WeakPolarHBondContact CD-OG 3.4Å
216	A	28.3	Very low	27.3	Very low	16 Å²	16	98.1 Å²	98.1	13%	0.132	49%	0.489	C	S	.	.			trans	-128.4	135	170.8	0	0	0	0	0	108.9	F228	A216-F228 HydrophobicContact CB-CD1 3.94Å
217	T	27.2	Very low	27.4	Very low	57 Å²	57	91.8 Å²	91.8	35%	0.35	46%	0.458	S	S	.	.			trans	-112.9	115	171.8	-54.7	0	0	0	0	106.8	I219 Y227	T217-I219 HydrophobicContact CG2-CG1 4.14Å; T217-I219 PolarHBondContact O-N 2.88Å; T217-Y227 VanDerWaalsContact O-O 3.05Å
218	I	30.6	Very low	27.7	Very low	37 Å²	37	91.9 Å²	91.9	19%	0.19	45%	0.446	C	S	.	.			trans	-79.9	108	177.3	-60.3	171.5	0	0	0	107.2	L141 P220	L141-I218 HydrophobicContact CD2-CD1 3.52Å; L141-I218 HydrophobicContact CG-CD1 4.1Å; I218-P220 WeakPolarHBondContact O-CD 3.12Å
219	I	29.5	Very low	28	Very low	75 Å²	75	88.7 Å²	88.7	39%	0.385	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	102.5	171.4	-54.7	174.8	0	0	0	106.3	T217 F221 Y227	T217-I219 HydrophobicContact CG2-CG1 4.14Å; T217-I219 PolarHBondContact O-N 2.88Å; I219-F221 HydrophobicContact CG2-CD2 3.93Å; I219-F221 PolarHBondContact O-N 3.36Å; I219-Y227 HydrophobicContact CB-CD2 4.43Å; I219-Y227 WeakPolarHBondContact O-CD2 3.46Å
220	P	29.4	Very low	28.2	Very low	32 Å²	32	84.7 Å²	84.7	21%	0.208	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.8	170.4	29.9	-30.5	0	0	0	107.6	V144 L146 I218	V144-P220 HydrophobicContact CB-CG 4.04Å; V144-P220 HydrophobicContact CG1-CG 4.48Å; L146-P220 HydrophobicContact CB-CB 4.44Å; L146-P220 HydrophobicContact CD1-CB 3.73Å; L146-P220 HydrophobicContact CD1-CG 4.23Å; L146-P220 WeakPolarHBondContact CD1-O 3.26Å; L146-P220 HydrophobicContact CG-CB 3.83Å; L146-P220 HydrophobicContact CG-CG 3.94Å; I218-P220 WeakPolarHBondContact O-CD 3.12Å
221	F	29.8	Very low	28.3	Very low	98 Å²	98	83.8 Å²	83.8	43%	0.43	40%	0.404	S	S	.	.			trans	-146	115.9	162.1	-103.3	-83.2	0	0	0	109.7	I219	I219-F221 HydrophobicContact CG2-CD2 3.93Å; I219-F221 PolarHBondContact O-N 3.36Å
222	H	31.3	Very low	28.3	Very low	107 Å²	107	80.5 Å²	80.5	50%	0.495	39%	0.388	S	S	.	.	S	Bend	trans	60.3	153.6	178.4	-71.5	-51.6	0	0	0	117.5	H224 R225	H222-H224 PolarHBondContact O-N 3.2Å; H222-R225 PolarHBondContact O-N 2.81Å
223	W	27.1	Very low	28.2	Very low	190 Å²	190	82 Å²	82	72%	0.72	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	9.8	-152.8	-58.3	-30.3	0	0	0	118.1
224	H	30.6	Very low	28.2	Very low	118 Å²	118	80.9 Å²	80.9	55%	0.546	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.7	-1.8	-175.1	-58.8	-69.4	0	0	0	116.8	H222 K311	H222-H224 PolarHBondContact O-N 3.2Å; H224-K311 WeakPolarHBondContact O-CE 3.35Å; H224-K311 PolarHBondContact O-NZ 3.37Å
225	R	30.2	Very low	28	Very low	67 Å²	67	88.3 Å²	88.3	25%	0.253	43%	0.425	S	S	.	.			trans	-127.3	143.6	-171.3	-67.5	-177.7	-179.8	152.4	-1.3	114.4	H222 Y227 E477	H222-R225 PolarHBondContact O-N 2.81Å; R225-Y227 HydrophobicContact CB-CE2 4.43Å; R225-E477 IonicContact NH1-OE2 2.68Å; R225-E477 PolarHBondContact NH1-OE2 3.44Å
226	F	30.7	Very low	27.9	Very low	113 Å²	113	91.7 Å²	91.7	50%	0.496	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.8	174.9	-61	-81.1	0	0	0	109.2	V184	V184-F226 HydrophobicContact CG2-CD2 4.48Å; V184-F226 HydrophobicContact CG2-CE1 3.74Å; V184-F226 HydrophobicContact CG2-CE2 3.56Å; V184-F226 HydrophobicContact CG2-CZ 3.13Å
227	Y	28.9	Very low	27.7	Very low	40 Å²	40	96.3 Å²	96.3	16%	0.157	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141	179.4	-60.1	-83.8	0	0	0	111.2	T217 I219 R225 E308	T217-Y227 VanDerWaalsContact O-O 3.05Å; I219-Y227 HydrophobicContact CB-CD2 4.43Å; I219-Y227 WeakPolarHBondContact O-CD2 3.46Å; R225-Y227 HydrophobicContact CB-CE2 4.43Å; Y227-E308 WeakPolarHBondContact CD1-OE1 3.35Å; Y227-E308 WeakPolarHBondContact CE1-OE1 3.35Å
228	F	28.8	Very low	27.6	Very low	106 Å²	106	100.7 Å²	100.7	47%	0.465	49%	0.491	S	S	.	.			trans	-119.4	121.9	175.1	-64.3	-86.7	0	0	0	110.8	F186 A216 V306	F186-F228 HydrophobicContact CE1-CE1 4.42Å; A216-F228 HydrophobicContact CB-CD1 3.94Å; F228-V306 WeakPolarHBondContact O-CG1 3.38Å; F228-V306 VanDerWaalsContact O-CG2 3.31Å; F228-V306 WeakPolarHBondContact O-CG2 3.41Å
229	K	29.3	Very low	27.2	Very low	107 Å²	107	103.4 Å²	103.4	47%	0.465	51%	0.512	S	S	.	.			trans	-97.9	103.2	176.4	-175.5	174.8	-178.8	167.9	0	112	S231	K229-S231 PolarHBondContact O-N 2.94Å
230	N	28.4	Very low	26.8	Very low	83 Å²	83	105.9 Å²	105.9	44%	0.444	53%	0.533	S	S	.	.			trans	-65.1	125.3	168.4	-174.8	1.2	0	0	0	109.9	G232	N230-G232 PolarHBondContact OD1-N 3.21Å
231	S	25.9	Very low	26.6	Very low	51 Å²	51	108.5 Å²	108.5	36%	0.357	56%	0.558	S	S	.	*			trans	-134.9	26.9	-177.1	50.1	0	0	0	0	115	R215 K229	R215-S231 WeakPolarHBondContact CB-OG 3.07Å; R215-S231 WeakPolarHBondContact CD-OG 3.4Å; K229-S231 PolarHBondContact O-N 2.94Å
232	G	23.3	Very low	26.5	Very low	41 Å²	41	113 Å²	113	42%	0.423	58%	0.58	S	S	.	*	S	Bend	trans	164.9	139.8	168.3	0	0	0	0	0	115.6	N230 L234	N230-G232 PolarHBondContact OD1-N 3.21Å; G232-L234 PolarHBondContact O-N 3.08Å
233	S	23.5	Very low	26.3	Very low	108 Å²	108	111.2 Å²	111.2	76%	0.755	57%	0.574	S	S	*	*			trans	58.2	13	164.8	-71	0	0	0	0	121.9	R235	S233-R235 PolarHBondContact O-N 3.28Å
234	L	25.9	Very low	26.3	Very low	75 Å²	75	107.9 Å²	107.9	39%	0.393	57%	0.57	S	S	.	*			trans	-76.4	75.4	163.7	-82.8	159.8	0	0	0	110.8	L212 G232 H236	L212-L234 HydrophobicContact CD1-CD2 4.37Å; G232-L234 PolarHBondContact O-N 3.08Å; L234-H236 VanDerWaalsContact C-N 3.27Å
235	R	23.5	Very low	26.2	Very low	240 Å²	240	108.3 Å²	108.3	91%	0.906	57%	0.567	S	S	*	*			trans	-82.1	0.3	168.5	-88.1	-171.8	179.9	-164.7	0.1	113.4	S233	S233-R235 PolarHBondContact O-N 3.28Å
236	H	24.7	Very low	26.1	Very low	165 Å²	165	109 Å²	109	76%	0.764	57%	0.573	S	S	*	*	S	Bend	trans	-103.3	113.3	170.8	-83.1	-81.8	0	0	0	109.4	L234 L238	L234-H236 VanDerWaalsContact C-N 3.27Å; H236-L238 PolarHBondContact O-N 3.48Å; H236-L238 VanDerWaalsContact O-N 3.08Å
237	V	23	Very low	26.1	Very low	112 Å²	112	108.8 Å²	108.8	68%	0.679	58%	0.576	S	S	*	*			trans	-43.3	112.9	159.9	178.7	0	0	0	0	107	C239	V237-C239 PolarHBondContact O-N 3.13Å
238	L	24.4	Very low	26.2	Very low	149 Å²	149	114.6 Å²	114.6	78%	0.78	61%	0.609	S	S	*	*			trans	-64.1	93.1	158.4	-79	166.7	0	0	0	104.3	H236	H236-L238 PolarHBondContact O-N 3.48Å; H236-L238 VanDerWaalsContact O-N 3.08Å
239	C	22.7	Very low	26.3	Very low	95 Å²	95	116.4 Å²	116.4	64%	0.642	62%	0.619	S	S	*	*			trans	-50.7	142.2	172.6	-67.5	0	0	0	0	107.8	V237 A241	V237-C239 PolarHBondContact O-N 3.13Å; C239-A241 VanDerWaalsContact C-N 3.26Å; C239-A241 PolarHBondContact O-N 2.97Å
240	P	22.5	Very low	26.4	Very low	127 Å²	127	117.8 Å²	117.8	83%	0.825	62%	0.621	S	S	*	*			trans	-63.4	95.2	174.8	28.1	-31.1	0	0	0	106.7	E242	P240-E242 PolarHBondContact O-N 2.84Å
241	A	25.1	Very low	26.4	Very low	87 Å²	87	118.5 Å²	118.5	72%	0.719	63%	0.633	S	S	*	*			trans	-77.9	113.2	170.5	0	0	0	0	0	105.8	C239 D243	C239-A241 VanDerWaalsContact C-N 3.26Å; C239-A241 PolarHBondContact O-N 2.97Å; A241-D243 PolarHBondContact O-N 2.85Å
242	E	26.7	Very low	26.6	Very low	193 Å²	193	122.9 Å²	122.9	90%	0.902	65%	0.648	S	S	*	*	S	Bend	trans	-35.8	127.6	171	-66.8	166.1	153.7	0	0	111.1	P240	P240-E242 PolarHBondContact O-N 2.84Å
243	D	27.6	Very low	26.9	Very low	68 Å²	68	128.8 Å²	128.8	36%	0.364	66%	0.659	S	S	.	*			trans	52.6	84.2	166.4	-78.1	-19.5	0	0	0	119.3	A241 R245 Q246	A241-D243 PolarHBondContact O-N 2.85Å; D243-R245 HydrophobicContact CB-CB 4.24Å; D243-R245 PolarHBondContact O-N 3.07Å; D243-R245 IonicContact OD1-CZ 3.18Å; D243-R245 IonicContact OD1-NE 2.71Å; D243-R245 PolarHBondContact OD1-NE 3.03Å; D243-R245 IonicContact OD1-NH2 2.72Å; D243-R245 PolarHBondContact OD1-NH2 3.42Å; D243-Q246 HydrophobicContact CB-CG 4.23Å
244	L	26.6	Very low	27.2	Very low	120 Å²	120	129.3 Å²	129.3	63%	0.628	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	4.1	145.2	-77.4	164.9	0	0	0	113.1	I247	L244-I247 HydrophobicContact CD2-CD1 3.9Å
245	R	28.6	Very low	27.4	Very low	128 Å²	128	133.8 Å²	133.8	48%	0.483	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.4	-3.1	-178.4	-68.8	-176.9	-70.9	-166.6	-1	114.5	D243	D243-R245 HydrophobicContact CB-CB 4.24Å; D243-R245 PolarHBondContact O-N 3.07Å; D243-R245 IonicContact OD1-CZ 3.18Å; D243-R245 IonicContact OD1-NE 2.71Å; D243-R245 PolarHBondContact OD1-NE 3.03Å; D243-R245 IonicContact OD1-NH2 2.72Å; D243-R245 PolarHBondContact OD1-NH2 3.42Å
246	Q	28.8	Very low	27.7	Very low	82 Å²	82	125.1 Å²	125.1	38%	0.383	65%	0.647	S	S	.	*			trans	-97.3	5.7	179.1	-72.1	-176.9	-1.3	0	0	114.7	D243 D248 E249	D243-Q246 HydrophobicContact CB-CG 4.23Å; Q246-D248 VanDerWaalsContact C-N 3.31Å; Q246-D248 PolarHBondContact O-N 3.06Å; Q246-E249 PolarHBondContact O-N 2.81Å
247	I	30.8	Very low	27.9	Very low	108 Å²	108	123.3 Å²	123.3	55%	0.554	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-20.3	-168.1	-63.4	174.9	0	0	0	113.5	L244	L244-I247 HydrophobicContact CD2-CD1 3.9Å
248	D	29.6	Very low	28.2	Very low	162 Å²	162	125 Å²	125	87%	0.866	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-4	178.7	-72.3	-26.9	0	0	0	114.1	Q246	Q246-D248 VanDerWaalsContact C-N 3.31Å; Q246-D248 PolarHBondContact O-N 3.06Å
249	E	31.1	Very low	28.4	Very low	144 Å²	144	127 Å²	127	67%	0.673	66%	0.656	S	S	*	*	S	Bend	trans	-119.3	9.7	-174.5	-68.4	178.7	175.8	0	0	114.7	Q246 S251	Q246-E249 PolarHBondContact O-N 2.81Å; E249-S251 VanDerWaalsContact C-N 3.31Å; E249-S251 PolarHBondContact O-N 3.42Å
250	W	31.2	Very low	28.7	Very low	135 Å²	135	129.5 Å²	129.5	51%	0.511	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.6	0.8	-171.2	-98	49.1	0	0	0	116.8	E252 L254	W250-E252 VanDerWaalsContact C-N 3.35Å; W250-L254 HydrophobicContact CE3-CD1 4.17Å
251	S	29	Very low	28.9	Very low	99 Å²	99	133.3 Å²	133.3	69%	0.692	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-22.7	172.4	44.2	0	0	0	0	113.5	E249	E249-S251 VanDerWaalsContact C-N 3.31Å; E249-S251 PolarHBondContact O-N 3.42Å
252	E	31.2	Very low	28.9	Very low	142 Å²	142	140.3 Å²	140.3	66%	0.664	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-28.6	-176.1	-72.7	174.2	175.2	0	0	113.1	W250 L254 H255	W250-E252 VanDerWaalsContact C-N 3.35Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.27Å; E252-H255 PolarHBondContact O-N 3.36Å
253	Y	28.7	Very low	28.7	Very low	165 Å²	165	140.9 Å²	140.9	65%	0.647	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-19	-176.2	-153.4	-97.7	0	0	0	115.1	H255	Y253-H255 VanDerWaalsContact C-N 3.34Å
254	L	29.3	Very low	28.6	Very low	120 Å²	120	144.7 Å²	144.7	63%	0.628	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-5.5	179.6	-80.7	162.4	0	0	0	114.2	W250 E252	W250-L254 HydrophobicContact CE3-CD1 4.17Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.27Å
255	H	31.4	Very low	28.5	Very low	168 Å²	168	148.2 Å²	148.2	78%	0.778	71%	0.709	S	S	*	*	S	Bend	trans	-109.4	-5.5	-174.6	-74.3	88.8	0	0	0	115.5	E252 Y253	E252-H255 PolarHBondContact O-N 3.36Å; Y253-H255 VanDerWaalsContact C-N 3.34Å
256	S	28.2	Very low	28.4	Very low	59 Å²	59	147.9 Å²	147.9	41%	0.413	73%	0.727	S	S	.	*	S	Bend	trans	-154.1	90.3	-179.1	61.1	0	0	0	0	113.5
257	N	29.7	Very low	28.2	Very low	126 Å²	126	150.6 Å²	150.6	67%	0.674	74%	0.744	S	S	*	*			trans	164	72.6	140.9	-86.8	-35.3	0	0	0	112.7	K259	N257-K259 PolarHBondContact O-N 3.38Å; N257-K259 VanDerWaalsContact O-N 3.15Å
258	T	28.6	Very low	27.8	Very low	148 Å²	148	151.6 Å²	151.6	91%	0.908	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	24	170.4	37.3	0	0	0	0	114.3
259	K	29.9	Very low	27.5	Very low	191 Å²	191	151 Å²	151	83%	0.83	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.7	3.4	-170.5	-80.5	-170.6	178.7	176.1	0	120	N257	N257-K259 PolarHBondContact O-N 3.38Å; N257-K259 VanDerWaalsContact O-N 3.15Å
260	L	29	Very low	27.1	Very low	147 Å²	147	153.6 Å²	153.6	77%	0.77	76%	0.762	S	S	*	*			trans	-114	7.7	-175.7	-106.3	110	0	0	0	118.2	R262	L260-R262 VanDerWaalsContact C-N 3.26Å; L260-R262 PolarHBondContact O-N 3.31Å
261	F	26.3	Very low	26.7	Very low	207 Å²	207	151.5 Å²	151.5	91%	0.908	77%	0.773	S	S	*	*			trans	-78.8	63.8	172.9	-76.9	-80.8	0	0	0	113.2
262	R	24	Very low	26.4	Very low	235 Å²	235	158.3 Å²	158.3	89%	0.887	78%	0.784	S	S	*	*	S	Bend	trans	-148.1	114.7	160.7	-80.8	-167.8	176	157.8	-1	111.1	L260	L260-R262 VanDerWaalsContact C-N 3.26Å; L260-R262 PolarHBondContact O-N 3.31Å
263	K	23.6	Very low	26	Very low	204 Å²	204	156.1 Å²	156.1	89%	0.887	78%	0.784	S	S	*	*			trans	82.2	89.5	163.9	-59.5	176.8	173.5	178.6	0	117.9
264	V	26	Very low	25.8	Very low	148 Å²	148	156.1 Å²	156.1	90%	0.897	79%	0.793	S	S	*	*			trans	-147.1	131.5	134	-174.9	0	0	0	0	108.3
265	K	23.5	Very low	25.4	Very low	194 Å²	194	155.4 Å²	155.4	84%	0.843	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-85.2	129.3	178.8	-72.4	173.8	172.5	179.1	0	109.5
266	S	27.6	Very low	25.2	Very low	121 Å²	121	154.8 Å²	154.8	85%	0.846	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-98.1	118.3	165.1	61.2	0	0	0	0	109.9
267	D	23.5	Very low	25	Very low	139 Å²	139	160 Å²	160	74%	0.743	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76	127.7	178	-82.3	-40.8	0	0	0	112.3
268	N	23.1	Very low	24.8	Very low	129 Å²	129	157.1 Å²	157.1	69%	0.69	82%	0.818	S	S	*	*			trans	63.3	83.3	140.6	-55.2	-39.6	0	0	0	121.7
269	V	22.9	Very low	24.6	Very low	151 Å²	151	159.9 Å²	159.9	92%	0.915	82%	0.817	S	S	*	*			trans	-134.7	101.7	134.9	-178.1	0	0	0	0	109
270	K	22	Very low	24.3	Very low	198 Å²	198	159.5 Å²	159.5	86%	0.861	82%	0.816	S	S	*	*			trans	-87.1	105.1	173.5	-79.2	179.5	177.9	173.9	0	109.7	R272	K270-R272 PolarHBondContact O-N 3.38Å
271	A	23.4	Very low	24.3	Very low	91 Å²	91	160.7 Å²	160.7	75%	0.752	82%	0.823	S	S	*	*			trans	-75.4	115.5	161.7	0	0	0	0	0	109.2	S273	A271-S273 PolarHBondContact O-N 3.36Å
272	R	22.4	Very low	24.3	Very low	242 Å²	242	157.8 Å²	157.8	91%	0.913	82%	0.817	S	S	*	*			trans	-74.5	115.9	178.7	-126.8	179.8	-174.3	-179.2	1.8	109.4	K270 I274	K270-R272 PolarHBondContact O-N 3.38Å; R272-I274 PolarHBondContact O-N 3.48Å
273	S	22.5	Very low	24.5	Very low	95 Å²	95	153.7 Å²	153.7	66%	0.664	81%	0.813	S	S	*	*			trans	-68	110.3	169.2	168.6	0	0	0	0	110.2	A271 T275	A271-S273 PolarHBondContact O-N 3.36Å; S273-T275 PolarHBondContact O-N 2.97Å
274	I	24	Very low	24.9	Very low	166 Å²	166	150.6 Å²	150.6	85%	0.851	81%	0.806	S	S	*	*			trans	-89.2	84.7	165.5	-57	176.6	0	0	0	107.6	R272	R272-I274 PolarHBondContact O-N 3.48Å
275	T	22.7	Very low	24.9	Very low	105 Å²	105	148.2 Å²	148.2	64%	0.644	80%	0.796	S	S	*	*			trans	-96	106.8	154.9	46.1	0	0	0	0	106.4	S273	S273-T275 PolarHBondContact O-N 2.97Å
276	N	26.9	Very low	25.3	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	80%	0.798	S	S	*	*			trans	-168.6	140.4	140.2	-98.6	-19.8	0	0	0	113.8
277	I	23.1	Very low	25.2	Very low	168 Å²	168	149 Å²	149	86%	0.862	79%	0.791	S	S	*	*			trans	-73.3	149.2	-179.5	-68.9	151.1	0	0	0	110.9
278	G	25.1	Very low	25.5	Very low	66 Å²	66	152.3 Å²	152.3	68%	0.68	80%	0.801	S	S	*	*			trans	105.3	137.5	161.5	0	0	0	0	0	113.1
279	K	26	Very low	25.5	Very low	205 Å²	205	156.4 Å²	156.4	89%	0.891	81%	0.807	S	S	*	*			cis	-155.8	154.4	8.3	-87.2	174.7	172.8	176.4	0	107.1
280	F	22.6	Very low	25.5	Very low	183 Å²	183	159.7 Å²	159.7	80%	0.803	80%	0.804	S	S	*	*			trans	-53.9	145	166.4	-73.7	-100.5	0	0	0	111.8
281	D	29	Very low	25.6	Very low	173 Å²	173	156 Å²	156	93%	0.925	80%	0.803	S	S	*	*			trans	-148.4	134.2	137.9	-88.4	-36.1	0	0	0	109.9
282	N	25.7	Very low	25.5	Very low	145 Å²	145	159.6 Å²	159.6	78%	0.775	81%	0.81	S	S	*	*			trans	-88.1	142.8	-175.9	-70.9	-44.1	0	0	0	111.4
283	D	29.8	Very low	25.6	Very low	150 Å²	150	153.7 Å²	153.7	80%	0.802	81%	0.806	S	S	*	*			trans	159.9	138.2	144.3	-103.8	-9.1	0	0	0	106.9
284	D	31.8	Very low	25.6	Very low	138 Å²	138	152.6 Å²	152.6	74%	0.738	81%	0.809	S	S	*	*			cis	-162.9	156.6	17.8	-149.2	-18.2	0	0	0	109.3
285	S	26.4	Very low	25.5	Very low	98 Å²	98	155.4 Å²	155.4	69%	0.685	81%	0.811	S	S	*	*			trans	-88.7	146.4	-172.9	65.9	0	0	0	0	113.5
286	K	31.3	Very low	25.7	Very low	203 Å²	203	160.5 Å²	160.5	88%	0.883	82%	0.82	S	S	*	*			trans	-166.5	102.8	147.2	-106.9	161.9	-166.5	175.9	0	114.4
287	N	25.9	Very low	25.4	Very low	130 Å²	130	155.5 Å²	155.5	70%	0.695	80%	0.804	S	S	*	*			trans	14.2	121.8	142.9	-68.1	-35.4	0	0	0	120.6
288	H	28.4	Very low	25.5	Very low	207 Å²	207	153.7 Å²	153.7	96%	0.958	80%	0.802	S	S	*	*				-147.6	133.2	122.5	-89.2	-60.8	0	0	0	111.6
289	R	24.5	Very low	25.5	Very low	215 Å²	215	159.6 Å²	159.6	81%	0.811	81%	0.812	S	S	*	*			trans	-90.4	139.8	-171.3	-80.2	176.6	-173.7	168.8	1.7	112.5
290	Y	22.6	Very low	25.7	Very low	221 Å²	221	156.8 Å²	156.8	87%	0.867	80%	0.802	S	S	*	*			trans	45.7	113.7	144	-74.7	-90.1	0	0	0	121.1
291	S	22.9	Very low	26.1	Very low	120 Å²	120	154.3 Å²	154.3	84%	0.839	80%	0.796	S	S	*	*				-153.4	131.8	129.2	59.5	0	0	0	0	110.9	S293	S291-S293 PolarHBondContact O-N 3.05Å
292	D	22.5	Very low	26.3	Very low	166 Å²	166	149.8 Å²	149.8	89%	0.888	77%	0.772	S	S	*	*			trans	-48.3	116.2	-179	-83.5	-53.7	0	0	0	116.1
293	S	24.7	Very low	26.9	Very low	118 Å²	118	145.2 Å²	145.2	83%	0.825	75%	0.751	S	S	*	*	S	Bend	trans	-176.6	95.3	134.1	60.6	0	0	0	0	110.9	S291	S291-S293 PolarHBondContact O-N 3.05Å
294	G	22.2	Very low	27.4	Very low	72 Å²	72	138.6 Å²	138.6	74%	0.742	72%	0.716	S	S	*	*			trans	55.3	72	146.9	0	0	0	0	0	119.8	Y296	G294-Y296 PolarHBondContact O-N 3.27Å
295	Y	22.2	Very low	27.6	Very low	225 Å²	225	135.2 Å²	135.2	88%	0.882	70%	0.704	S	S	*	*			trans	8.5	99.1	140.6	-108.9	-101.1	0	0	0	118.1
296	Y	25.2	Very low	28	Very low	213 Å²	213	132 Å²	132	84%	0.835	68%	0.68	S	S	*	*			trans	-134.3	107.5	136.3	-77.1	-75.6	0	0	0	107.4	G294 T298	G294-Y296 PolarHBondContact O-N 3.27Å; Y296-T298 PolarHBondContact O-N 3.45Å
297	G	22.4	Very low	28	Very low	49 Å²	49	129 Å²	129	51%	0.505	67%	0.669	S	S	.	*			trans	-50.2	129.1	-175.2	0	0	0	0	0	112.7
298	T	23.6	Very low	28.4	Very low	131 Å²	131	124.7 Å²	124.7	80%	0.804	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.6	146.3	161.7	45.4	0	0	0	0	110.6	Y296	Y296-T298 PolarHBondContact O-N 3.45Å
299	E	26.5	Very low	28.8	Very low	190 Å²	190	121.2 Å²	121.2	89%	0.888	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.1	-7.6	169.1	-54.4	-176.2	172.5	0	0	120
300	E	30.3	Very low	29.5	Very low	146 Å²	146	113.9 Å²	113.9	68%	0.682	61%	0.613	S	S	*	*	S	Bend	trans	-130.8	4.3	179.4	-93.2	-174.3	157.8	0	0	116.5	D302	E300-D302 VanDerWaalsContact C-N 3.29Å; E300-D302 PolarHBondContact O-N 2.55Å
301	L	30.5	Very low	30.4	Very low	130 Å²	130	108.6 Å²	108.6	68%	0.681	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	5.8	-178.7	-106.2	93.8	0	0	0	115.2
302	D	34	Very low	31.3	Very low	79 Å²	79	108.2 Å²	108.2	42%	0.422	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.4	9.2	-166.7	-119.5	11.5	0	0	0	114.3	E300 C304 R512	E300-D302 VanDerWaalsContact C-N 3.29Å; E300-D302 PolarHBondContact O-N 2.55Å; D302-C304 PolarHBondContact O-N 3.19Å; D302-C304 VanDerWaalsContact O-N 3.09Å; D302-R512 IonicContact OD1-CZ 3.92Å; D302-R512 IonicContact OD1-NH1 3Å; D302-R512 PolarHBondContact OD1-NH1 3.28Å; D302-R512 IonicContact OD2-NH1 3.88Å; D302-R512 PolarHBondContact OD2-NH1 2.9Å
303	S	36.6	Very low	32.9	Very low	48 Å²	48	101.7 Å²	101.7	34%	0.336	56%	0.555	S	S	.	*			trans	-87.4	96.3	-160.4	86.5	0	0	0	0	113.3	S305	S303-S305 WeakPolarHBondContact CB-OG 2.99Å; S303-S305 PolarHBondContact O-N 3.43Å; S303-S305 PolarHBondContact OG-OG 3.4Å
304	C	41	Very low	34.7	Very low	11 Å²	11	99.7 Å²	99.7	7%	0.074	53%	0.529	C	S	.	.			trans	-62.8	17.7	153	-57.9	0	0	0	0	112.9	D302 V306 C505	D302-C304 PolarHBondContact O-N 3.19Å; D302-C304 VanDerWaalsContact O-N 3.09Å; C304-V306 PolarHBondContact O-N 2.83Å; C304-V306 VanDerWaalsContact O-N 3.12Å; C304-C505 HydrophobicContact CB-CB 3.46Å; C304-C505 VanDerWaalsContact CB-CB 3.46Å; C304-C505 WeakPolarHBondContact CB-SG 3.38Å; C304-C505 WeakPolarHBondContact SG-CB 3.42Å; C304-C505 CovalentContact SG-SG 2.03Å; C304-C505 PolarHBondContact SG-SG 3.08Å
305	S	35.4	Very low	37.2	Very low	68 Å²	68	102.5 Å²	102.5	48%	0.476	53%	0.532	S	S	.	.			trans	-72.6	5.9	176.8	63.6	0	0	0	0	113.8	S303 Q307	S303-S305 WeakPolarHBondContact CB-OG 2.99Å; S303-S305 PolarHBondContact O-N 3.43Å; S303-S305 PolarHBondContact OG-OG 3.4Å; S305-Q307 PolarHBondContact O-N 2.82Å
306	V	35.2	Very low	39.9	Very low	30 Å²	30	92.4 Å²	92.4	18%	0.182	49%	0.494	C	S	.	.			trans	-75.6	96.3	167	175.8	0	0	0	0	107.6	F228 C304 E308	F228-V306 WeakPolarHBondContact O-CG1 3.38Å; F228-V306 VanDerWaalsContact O-CG2 3.31Å; F228-V306 WeakPolarHBondContact O-CG2 3.41Å; C304-V306 PolarHBondContact O-N 2.83Å; C304-V306 VanDerWaalsContact O-N 3.12Å; V306-E308 PolarHBondContact O-N 3.34Å
307	Q	32.6	Very low	42.8	Very low	139 Å²	139	85.2 Å²	85.2	65%	0.65	48%	0.475	S	S	*	.			trans	-66.6	109.8	165.2	-82.6	177.1	-23.8	0	0	108.3	S305 L309	S305-Q307 PolarHBondContact O-N 2.82Å; Q307-L309 PolarHBondContact O-N 3.28Å
308	E	34.1	Very low	45.6	Very low	41 Å²	41	83 Å²	83	19%	0.192	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-74.9	120.5	161.1	-63.4	-172.3	-177.8	0	0	107.5	Y227 V306 A375	Y227-E308 WeakPolarHBondContact CD1-OE1 3.35Å; Y227-E308 WeakPolarHBondContact CE1-OE1 3.35Å; V306-E308 PolarHBondContact O-N 3.34Å; E308-A375 HydrophobicContact CB-CB 4.48Å; E308-A375 WeakPolarHBondContact CB-O 3.46Å; E308-A375 HydrophobicContact CG-CB 3.99Å; E308-A375 WeakPolarHBondContact OE2-CB 3.32Å
309	L	35.9	Very low	48.1	Very low	134 Å²	134	79.3 Å²	79.3	70%	0.702	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-63.1	134	161.5	-73.2	169.7	0	0	0	107.2	Q307 K311	Q307-L309 PolarHBondContact O-N 3.28Å; L309-K311 PolarHBondContact O-N 2.06Å
310	P	40.1	Very low	50.8	Low	61 Å²	61	72.6 Å²	72.6	40%	0.396	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-51.8	128.7	172.7	-20	29.2	0	0	0	108.2
311	K	40.9	Very low	53.7	Low	110 Å²	110	66.3 Å²	66.3	48%	0.478	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-52.2	135.1	177	-71.4	177.5	-175.6	166.2	0	108.7	H224 L309 V313	H224-K311 WeakPolarHBondContact O-CE 3.35Å; H224-K311 PolarHBondContact O-NZ 3.37Å; L309-K311 PolarHBondContact O-N 2.06Å; K311-V313 WeakPolarHBondContact O-CG2 3.45Å; K311-V313 PolarHBondContact O-N 3.41Å
312	P	42.1	Very low	56.5	Low	112 Å²	112	60.1 Å²	60.1	73%	0.727	34%	0.34	S	S	*	.			trans	-56.7	115.4	171.7	22.2	-30.2	0	0	0	107.8	R314	P312-R314 PolarHBondContact O-N 3.36Å
313	V	55	Low	59.3	Low	29 Å²	29	57.5 Å²	57.5	18%	0.176	33%	0.325	C	S	.	.			trans	-84.8	114.8	177.7	-179.4	0	0	0	0	106.2	K311 P368 H438 L439	K311-V313 WeakPolarHBondContact O-CG2 3.45Å; K311-V313 PolarHBondContact O-N 3.41Å; V313-P368 HydrophobicContact CB-CB 4.16Å; V313-P368 HydrophobicContact CB-CG 4.24Å; V313-P368 HydrophobicContact CG1-CB 4.26Å; V313-P368 HydrophobicContact CG1-CG 3.82Å; V313-H438 WeakPolarHBondContact CG1-CE1 3.37Å; V313-L439 HydrophobicContact CG1-CD1 4.26Å; V313-L439 HydrophobicContact CG1-CD2 3.84Å; V313-L439 HydrophobicContact CG1-CG 4.36Å; V313-L439 HydrophobicContact CG2-CD1 4.08Å; V313-L439 HydrophobicContact CG2-CD2 4.4Å
314	R	62.5	Low	62.1	Low	76 Å²	76	55.2 Å²	55.2	29%	0.287	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-60.3	150.2	175.6	66.8	-162.7	175	107.2	-6.1	110.6	P312 C316 D460 C462 L463 Q464	P312-R314 PolarHBondContact O-N 3.36Å; R314-C316 PolarHBondContact O-N 3.37Å; R314-D460 IonicContact CZ-OD2 3.43Å; R314-D460 IonicContact NE-OD2 2.81Å; R314-D460 PolarHBondContact NE-OD2 3.06Å; R314-D460 IonicContact NH2-OD2 3.36Å; R314-D460 PolarHBondContact NH2-OD2 3.42Å; R314-C462 PolarHBondContact NH2-O 3.39Å; R314-L463 PolarHBondContact NH1-O 3.44Å; R314-Q464 VanDerWaalsContact NH1-N 3.15Å
315	T	74.5	Confident	64.7	Low	130 Å²	130	58.8 Å²	58.8	80%	0.798	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-60.9	131.8	168.1	50.4	0	0	0	0	109.3
316	C	80.1	Confident	67.5	Low	14 Å²	14	55.6 Å²	55.6	10%	0.095	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-87.5	118.3	177.7	177.2	0	0	0	0	110.1	R314 S435 H438 C462	R314-C316 PolarHBondContact O-N 3.37Å; C316-S435 WeakPolarHBondContact CB-O 3.36Å; C316-S435 WeakPolarHBondContact O-CB 3.35Å; C316-H438 HydrophobicContact CB-CB 4.12Å; C316-C462 WeakPolarHBondContact CA-SG 3.27Å; C316-C462 HydrophobicContact CB-CB 3.61Å; C316-C462 WeakPolarHBondContact CB-SG 3.37Å; C316-C462 WeakPolarHBondContact SG-CB 3.36Å; C316-C462 CovalentContact SG-SG 2.03Å; C316-C462 PolarHBondContact SG-SG 3.43Å
317	C	85	Confident	70.4	Confident	62 Å²	62	55.6 Å²	55.6	42%	0.419	30%	0.298	S	S	.	.			trans	-91.7	4.8	177.6	60.2	0	0	0	0	113.8	C319 C466	C317-C319 PolarHBondContact O-N 3.38Å; C317-C466 HydrophobicContact CB-CB 3.92Å; C317-C466 WeakPolarHBondContact CB-SG 3.28Å; C317-C466 WeakPolarHBondContact O-CB 3.22Å; C317-C466 WeakPolarHBondContact SG-CA 3.31Å; C317-C466 WeakPolarHBondContact SG-CB 3.3Å; C317-C466 CovalentContact SG-SG 2.04Å; C317-C466 PolarHBondContact SG-SG 3.48Å
318	A	80.8	Confident	73.3	Confident	2 Å²	2	49 Å²	49	2%	0.017	27%	0.267	C	S	.	.			trans	-69.7	128	-179.1	0	0	0	0	0	111.2	S435 C466 W468	A318-S435 WeakPolarHBondContact O-CB 3.48Å; A318-C466 WeakPolarHBondContact CA-O 3.33Å; A318-W468 HydrophobicContact CB-CD2 4.17Å; A318-W468 HydrophobicContact CB-CH2 4.08Å; A318-W468 HydrophobicContact CB-CZ2 3.63Å
319	C	77.4	Confident	76.1	Confident	53 Å²	53	49.8 Å²	49.8	36%	0.358	27%	0.27	S	S	.	.			trans	-78.4	158.4	172.1	-73.7	0	0	0	0	111.2	C317 W468 C593	C317-C319 PolarHBondContact O-N 3.38Å; C319-W468 PolarHBondContact O-NE1 2.9Å; C319-W468 VanDerWaalsContact O-NE1 3.14Å; C319-C593 VanDerWaalsContact CA-SG 3.51Å; C319-C593 HydrophobicContact CB-CB 4.13Å; C319-C593 WeakPolarHBondContact CB-SG 3.09Å; C319-C593 WeakPolarHBondContact SG-CB 3.44Å; C319-C593 CovalentContact SG-SG 2.04Å; C319-C593 PolarHBondContact SG-SG 3.46Å
320	N	83.4	Confident	78.8	Confident	50 Å²	50	43.4 Å²	43.4	27%	0.267	24%	0.237	S	C	.	.	S	Bend	trans	66.3	151.6	174.9	-48.6	-22.2	0	0	0	114.6	W468 I587 N588 E591	N320-W468 WeakPolarHBondContact O-CZ2 3.31Å; N320-W468 PolarHBondContact O-NE1 3.33Å; N320-W468 VanDerWaalsContact O-NE1 3.08Å; N320-I587 HydrophobicContact CB-CG2 3.51Å; N320-N588 WeakPolarHBondContact CB-O 3.29Å; N320-E591 PolarHBondContact OD1-O 3.35Å
321	T	89.7	Confident	81.1	Confident	13 Å²	13	42.8 Å²	42.8	8%	0.08	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.3	169.3	-66.7	0	0	0	0	111.6	A432 V433 N588 E591	T321-A432 HydrophobicContact CG2-CB 3.76Å; T321-V433 CarbonylContact C-O 3.55Å; T321-V433 WeakPolarHBondContact CA-O 3.47Å; T321-N588 PolarHBondContact O-N 3.43Å; T321-E591 VanDerWaalsContact CB-OE2 3.32Å; T321-E591 WeakPolarHBondContact CB-OE2 3.17Å; T321-E591 PolarHBondContact N-OE2 3.16Å; T321-E591 VanDerWaalsContact N-OE2 3.11Å; T321-E591 PolarHBondContact OG1-OE2 2.9Å
322	A	89.4	Confident	83.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.9	171.7	0	0	0	0	0	111.6	Y324 A432 V433 W468 L584 I587	A322-Y324 HydrophobicContact CB-CD2 4.37Å; A322-Y324 HydrophobicContact CB-CE2 3.79Å; A322-A432 CarbonylContact O-C 3.48Å; A322-A432 VanDerWaalsContact O-CA 3.29Å; A322-A432 WeakPolarHBondContact O-CA 3.21Å; A322-V433 HydrophobicContact CB-CG2 3.95Å; A322-V433 PolarHBondContact N-O 3.47Å; A322-V433 PolarHBondContact O-N 2.03Å; A322-W468 HydrophobicContact CB-CB 4.06Å; A322-W468 HydrophobicContact CB-CD2 3.62Å; A322-W468 HydrophobicContact CB-CE3 4.31Å; A322-W468 HydrophobicContact CB-CG 3.46Å; A322-W468 VanDerWaalsContact CB-CG 3.46Å; A322-L584 HydrophobicContact CB-CD1 3.75Å; A322-I587 HydrophobicContact CB-CG1 4.33Å
323	I	93.3	Very high	85.5	Confident	24 Å²	24	34 Å²	34	12%	0.123	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.2	176.7	-54.2	-170.4	0	0	0	109.4	F431 A432 L585 R586	I323-F431 WeakPolarHBondContact CA-O 3.31Å; I323-A432 HydrophobicContact CG1-CB 4.48Å; I323-L585 PolarHBondContact O-N 2.88Å; I323-R586 HydrophobicContact CB-CG 4.1Å; I323-R586 HydrophobicContact CD1-CG 4.17Å; I323-R586 VanDerWaalsContact CD1-NE 3.32Å; I323-R586 HydrophobicContact CG1-CG 4.24Å; I323-R586 PolarHBondContact N-O 2.77Å; I323-R586 PolarHBondContact O-N 3.39Å
324	Y	95	Very high	86.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.6	179.2	-76.5	-95.3	0	0	0	112.1	A322 L430 F431 V433 I461 W468 P469 L582 E583 L584	A322-Y324 HydrophobicContact CB-CD2 4.37Å; A322-Y324 HydrophobicContact CB-CE2 3.79Å; Y324-L430 WeakPolarHBondContact O-CA 3.04Å; Y324-F431 VanDerWaalsContact CB-CE1 3.42Å; Y324-F431 HydrophobicContact CD2-CE2 4.31Å; Y324-F431 HydrophobicContact CD2-CZ 4.32Å; Y324-F431 HydrophobicContact CG-CE1 4.4Å; Y324-F431 HydrophobicContact CG-CE2 4.35Å; Y324-F431 AromaticContact CG-CZ 3.92Å; Y324-F431 HydrophobicContact CG-CZ 3.92Å; Y324-F431 PolarHBondContact N-O 2.84Å; Y324-F431 PolarHBondContact O-N 3.26Å; Y324-V433 HydrophobicContact CD2-CG2 3.9Å; Y324-V433 HydrophobicContact CE2-CG2 3.65Å; Y324-I461 HydrophobicContact CD2-CG2 4.25Å; Y324-I461 HydrophobicContact CE1-CG2 4.24Å; Y324-I461 HydrophobicContact CE2-CG2 3.54Å; Y324-W468 WeakPolarHBondContact OH-CB 3.32Å; Y324-P469 VanDerWaalsContact CE1-O 3.24Å; Y324-P469 WeakPolarHBondContact CE1-O 3.19Å; Y324-P469 WeakPolarHBondContact OH-CD 3.21Å; Y324-P469 WeakPolarHBondContact OH-CG 3.23Å; Y324-P469 PolarHBondContact OH-O 2.87Å; Y324-L582 HydrophobicContact CD1-CB 4.06Å; Y324-E583 CarbonylContact C-O 3.58Å; Y324-E583 VanDerWaalsContact CA-O 3.32Å; Y324-E583 WeakPolarHBondContact CA-O 3.48Å; Y324-L584 HydrophobicContact CD1-CB 4.21Å; Y324-L584 HydrophobicContact CD2-CD1 4.2Å; Y324-L584 HydrophobicContact CE1-CB 3.77Å; Y324-L584 HydrophobicContact CE1-CD1 4.1Å; Y324-L584 HydrophobicContact CE2-CD1 3.73Å
325	R	95.4	Very high	87.2	Confident	86 Å²	86	41.6 Å²	41.6	33%	0.325	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.6	161.5	-170	178.9	-167.7	-144.4	-0.3	109.1	I327 L430 L582 E583 L585	R325-I327 HydrophobicContact CG-CG1 4.11Å; R325-L430 HydrophobicContact CB-CD2 3.93Å; R325-L430 HydrophobicContact CG-CD2 4.01Å; R325-L582 WeakPolarHBondContact O-CA 3.33Å; R325-E583 HydrophobicContact CB-CB 4.36Å; R325-E583 PolarHBondContact N-O 3.15Å; R325-E583 PolarHBondContact O-N 3.44Å; R325-L585 HydrophobicContact CB-CD1 4.03Å; R325-L585 HydrophobicContact CB-CD2 4.05Å; R325-L585 HydrophobicContact CB-CG 3.99Å
326	L	95.6	Very high	87.2	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.3	166.7	176.7	66.9	0	0	0	108.7	I328 I411 S428 A429 F431 F442 V580 E581 L582	L326-I328 HydrophobicContact CD1-CG1 4.21Å; L326-I328 HydrophobicContact CD2-CD1 3.99Å; L326-I328 HydrophobicContact CD2-CG1 4.28Å; L326-I328 HydrophobicContact CG-CD1 4.29Å; L326-I328 HydrophobicContact CG-CG1 4.02Å; L326-I411 HydrophobicContact CD2-CD1 4.24Å; L326-I411 HydrophobicContact CD2-CG2 3.72Å; L326-S428 CarbonylContact O-C 3.55Å; L326-S428 WeakPolarHBondContact O-CA 3.32Å; L326-S428 VanDerWaalsContact O-CB 3.29Å; L326-S428 WeakPolarHBondContact O-CB 3.42Å; L326-A429 PolarHBondContact N-O 3.34Å; L326-A429 PolarHBondContact O-N 3.37Å; L326-F431 HydrophobicContact CB-CD1 4.03Å; L326-F431 HydrophobicContact CB-CE1 3.9Å; L326-F442 HydrophobicContact CD1-CE1 4.46Å; L326-V580 HydrophobicContact CD1-CG1 3.29Å; L326-E581 CarbonylContact C-O 3.14Å; L326-L582 HydrophobicContact CB-CD2 4.4Å; L326-L582 HydrophobicContact CD1-CD2 3.36Å; L326-L582 HydrophobicContact CG-CD2 4.48Å
327	I	94.8	Very high	87	Confident	31 Å²	31	38.9 Å²	38.9	16%	0.159	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.2	173.1	-54.4	172	0	0	0	107.8	R325 R427 V580 E581	R325-I327 HydrophobicContact CG-CG1 4.11Å; I327-R427 WeakPolarHBondContact CA-O 3.45Å; I327-V580 CarbonylContact O-C 3.47Å; I327-V580 VanDerWaalsContact O-CA 3.32Å; I327-V580 WeakPolarHBondContact O-CA 3.48Å; I327-E581 HydrophobicContact CB-CB 4.31Å; I327-E581 PolarHBondContact N-O 2.91Å; I327-E581 PolarHBondContact O-N 3.37Å
328	I	94.9	Very high	86.5	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118	179.1	-56.2	172.6	0	0	0	107.4	L326 W358 I361 I416 F426 R427 F442 L476 V580	L326-I328 HydrophobicContact CD1-CG1 4.21Å; L326-I328 HydrophobicContact CD2-CD1 3.99Å; L326-I328 HydrophobicContact CD2-CG1 4.28Å; L326-I328 HydrophobicContact CG-CD1 4.29Å; L326-I328 HydrophobicContact CG-CG1 4.02Å; I328-W358 HydrophobicContact CG2-CZ3 3.72Å; I328-I361 HydrophobicContact CD1-CD1 3.64Å; I328-I361 HydrophobicContact CD1-CG2 3.81Å; I328-I361 HydrophobicContact CG2-CD1 4.26Å; I328-I416 HydrophobicContact CG2-CD1 4.22Å; I328-F426 CarbonylContact O-C 3.52Å; I328-F426 WeakPolarHBondContact O-CA 3.47Å; I328-F426 WeakPolarHBondContact O-CB 3.4Å; I328-R427 PolarHBondContact N-O 2.82Å; I328-R427 PolarHBondContact O-N 2.64Å; I328-F442 HydrophobicContact CD1-CD2 4.27Å; I328-F442 HydrophobicContact CD1-CE1 4.34Å; I328-F442 HydrophobicContact CD1-CE2 3.77Å; I328-F442 HydrophobicContact CD1-CZ 3.78Å; I328-F442 HydrophobicContact CG1-CZ 4.18Å; I328-L476 HydrophobicContact CG2-CD1 4.05Å; I328-V580 HydrophobicContact CG1-CG2 4.38Å
329	Q	92.7	Very high	85.9	Confident	56 Å²	56	47.1 Å²	47.1	26%	0.262	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.9	176.4	178.8	68.3	45.8	0	0	109.2	R425 F426 G578 T579	Q329-R425 PolarHBondContact NE2-O 3.45Å; Q329-F426 VanDerWaalsContact OE1-CB 3.32Å; Q329-G578 CarbonylContact O-C 3.37Å; Q329-G578 WeakPolarHBondContact O-CA 3.39Å; Q329-T579 PolarHBondContact N-O 2.92Å; Q329-T579 PolarHBondContact O-N 3.19Å
330	S	92.5	Very high	85.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.3	172.3	179.6	0	0	0	0	110.7	W332 R425	S330-W332 PolarHBondContact OG-N 3.38Å; S330-R425 PolarHBondContact N-O 3.12Å
331	E	88.9	Confident	85.8	Confident	48 Å²	48	46.6 Å²	46.6	22%	0.224	21%	0.208	C	C	.	.			trans	-113	0.8	168.8	-64.1	178.9	166.2	0	0	110.8	Q333 Q336 R576 L577	E331-Q333 PolarHBondContact O-N 2.9Å; E331-Q336 PolarHBondContact O-OE1 3.19Å; E331-R576 WeakPolarHBondContact OE2-CB 3.14Å; E331-R576 WeakPolarHBondContact OE2-CD 3.43Å; E331-L577 CarbonylContact C-O 3.52Å; E331-L577 WeakPolarHBondContact CA-O 2.88Å; E331-L577 PolarHBondContact N-O 3.28Å
332	W	89.5	Confident	85.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.206	C	C	.	.			trans	-72.1	100.7	178.7	-173.9	52.9	0	0	0	109.9	S330 H337 W341 P356 W358 S418 I446 V447 Y489 L577	S330-W332 PolarHBondContact OG-N 3.38Å; W332-H337 AromaticContact CD1-CD2 3.57Å; W332-H337 AromaticContact CD1-CG 3.52Å; W332-H337 AromaticContact CD1-ND1 3.88Å; W332-H337 AromaticContact CD1-NE2 3.95Å; W332-W341 HydrophobicContact CD2-CH2 4.33Å; W332-W341 HydrophobicContact CD2-CZ3 4.14Å; W332-W341 AromaticContact CE2-CZ3 3.75Å; W332-W341 HydrophobicContact CG-CZ3 4.29Å; W332-W341 HydrophobicContact CZ2-CZ3 4.19Å; W332-W341 AromaticContact NE1-CZ3 3.64Å; W332-P356 HydrophobicContact CH2-CB 4.06Å; W332-P356 HydrophobicContact CZ3-CB 4.14Å; W332-W358 HydrophobicContact CB-CZ2 4.38Å; W332-W358 AromaticContact CE3-CD1 3.6Å; W332-W358 AromaticContact CE3-NE1 3.44Å; W332-S418 VanDerWaalsContact CE3-OG 3.25Å; W332-S418 WeakPolarHBondContact O-CB 2.93Å; W332-I446 HydrophobicContact CD2-CG2 4.36Å; W332-I446 HydrophobicContact CE3-CG2 4.21Å; W332-I446 HydrophobicContact CH2-CG2 3.38Å; W332-I446 HydrophobicContact CZ2-CG2 3.56Å; W332-I446 HydrophobicContact CZ3-CG2 3.73Å; W332-V447 WeakPolarHBondContact CH2-O 3.22Å; W332-Y489 AromaticContact CE2-CE1 3.9Å; W332-Y489 AromaticContact CE2-CZ 3.96Å; W332-Y489 HydrophobicContact CH2-CE1 4.41Å; W332-Y489 AromaticContact CZ2-CD1 3.85Å; W332-Y489 HydrophobicContact CZ2-CD1 3.85Å; W332-Y489 AromaticContact CZ2-CE1 3.39Å; W332-Y489 HydrophobicContact CZ2-CE1 3.39Å; W332-Y489 HydrophobicContact CZ2-CE2 4.46Å; W332-Y489 AromaticContact CZ2-CZ 3.74Å; W332-Y489 AromaticContact NE1-CE1 3.9Å; W332-Y489 AromaticContact NE1-CZ 3.56Å; W332-Y489 PolarHBondContact NE1-OH 2.59Å; W332-L577 HydrophobicContact CB-CD2 4.16Å; W332-L577 HydrophobicContact CG-CD2 3.98Å; W332-L577 PolarHBondContact N-O 2.93Å
333	Q	85	Confident	84.2	Confident	38 Å²	38	50 Å²	50	18%	0.178	23%	0.229	C	C	.	.			trans	-147.6	155	-177.7	65.8	-167.7	-24.7	0	0	111.3	E331 Q335 Q336 H337 W341	E331-Q333 PolarHBondContact O-N 2.9Å; Q333-Q335 PolarHBondContact O-N 2.03Å; Q333-Q335 VanDerWaalsContact O-N 3.1Å; Q333-Q336 HydrophobicContact CG-CB 4.44Å; Q333-Q336 HydrophobicContact CG-CG 4.47Å; Q333-Q336 PolarHBondContact O-N 3.09Å; Q333-H337 PolarHBondContact O-N 3.34Å; Q333-W341 VanDerWaalsContact C-CZ3 3.4Å; Q333-W341 VanDerWaalsContact CA-CH2 3.43Å
334	Q	81.2	Confident	82.5	Confident	98 Å²	98	52.7 Å²	52.7	46%	0.458	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38.2	-174.8	-171	173.7	18.3	0	0	114.4	Q336 H337 W338 W341	Q334-Q336 VanDerWaalsContact C-N 3.29Å; Q334-Q336 PolarHBondContact O-N 2.95Å; Q334-H337 CarbonylContact O-C 3.53Å; Q334-W338 VanDerWaalsContact O-CA 3.24Å; Q334-W338 WeakPolarHBondContact O-CA 3.08Å; Q334-W338 WeakPolarHBondContact O-CB 3.24Å; Q334-W338 PolarHBondContact O-N 2.76Å; Q334-W341 HydrophobicContact CB-CD2 3.7Å; Q334-W341 HydrophobicContact CB-CE3 4.33Å; Q334-W341 HydrophobicContact CB-CG 3.88Å; Q334-W341 HydrophobicContact CB-CZ2 4.17Å; Q334-W341 HydrophobicContact CG-CB 4.13Å; Q334-W341 HydrophobicContact CG-CD2 4.01Å; Q334-W341 HydrophobicContact CG-CG 3.61Å
335	Q	72.9	Confident	80.4	Confident	166 Å²	166	58.9 Å²	58.9	78%	0.776	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-35.3	-178.4	-67.9	176.9	-13.2	0	0	113	Q333	Q333-Q335 PolarHBondContact O-N 2.03Å; Q333-Q335 VanDerWaalsContact O-N 3.1Å
336	Q	73.7	Confident	77.7	Confident	85 Å²	85	61.9 Å²	61.9	40%	0.397	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-28	-177.5	-70.3	175.2	-48.8	0	0	112.2	E331 Q333 Q334	E331-Q336 PolarHBondContact O-OE1 3.19Å; Q333-Q336 HydrophobicContact CG-CB 4.44Å; Q333-Q336 HydrophobicContact CG-CG 4.47Å; Q333-Q336 PolarHBondContact O-N 3.09Å; Q334-Q336 VanDerWaalsContact C-N 3.29Å; Q334-Q336 PolarHBondContact O-N 2.95Å
337	H	76.6	Confident	74.9	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	33%	0.332	C	S	.	.			trans	-120	59.4	-178.5	-61.5	-92.2	0	0	0	110.1	W332 Q333 Q334 W341 A575 R576	W332-H337 AromaticContact CD1-CD2 3.57Å; W332-H337 AromaticContact CD1-CG 3.52Å; W332-H337 AromaticContact CD1-ND1 3.88Å; W332-H337 AromaticContact CD1-NE2 3.95Å; Q333-H337 PolarHBondContact O-N 3.34Å; Q334-H337 CarbonylContact O-C 3.53Å; H337-W341 HydrophobicContact CB-CE3 4.14Å; H337-W341 HydrophobicContact CB-CZ3 4.16Å; H337-W341 VanDerWaalsContact O-CE3 3.22Å; H337-A575 PolarHBondContact CE1-O 2.84Å; H337-R576 PolarHBondContact NE2-O 3.12Å
338	W	73.3	Confident	71.8	Confident	161 Å²	161	68.8 Å²	68.8	61%	0.61	37%	0.374	S	S	*	.			trans	-73.7	-27.4	-172.2	57.9	-94.2	0	0	0	113.7	Q334 D340 W341	Q334-W338 VanDerWaalsContact O-CA 3.24Å; Q334-W338 WeakPolarHBondContact O-CA 3.08Å; Q334-W338 WeakPolarHBondContact O-CB 3.24Å; Q334-W338 PolarHBondContact O-N 2.76Å; W338-D340 PolarHBondContact O-N 3.43Å; W338-W341 PolarHBondContact O-N 2.98Å
339	R	68.8	Low	69	Low	76 Å²	76	72.1 Å²	72.1	29%	0.287	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	125.2	-178.4	-174	174.2	-173.6	-113.6	-14.2	109.2	W341 N514 T515 P516	R339-W341 PolarHBondContact O-N 2.97Å; R339-N514 PolarHBondContact NH1-O 2.87Å; R339-T515 PolarHBondContact NH1-O 2.93Å; R339-P516 WeakPolarHBondContact O-CB 3.25Å
340	D	76.2	Confident	66.3	Low	76 Å²	76	73.1 Å²	73.1	41%	0.406	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	21.4	-179.6	-51.1	-18.8	0	0	0	115.3	W338 T488 Y489 P516	W338-D340 PolarHBondContact O-N 3.43Å; D340-T488 WeakPolarHBondContact CB-OG1 3.27Å; D340-T488 WeakPolarHBondContact OD2-CB 3.16Å; D340-T488 PolarHBondContact OD2-OG1 3.29Å; D340-Y489 HydrophobicContact CB-CD2 4.32Å; D340-Y489 WeakPolarHBondContact O-CD2 3.37Å; D340-P516 HydrophobicContact CB-CB 4.43Å; D340-P516 HydrophobicContact CB-CG 4.07Å
341	W	81.5	Confident	63.8	Low	17 Å²	17	78 Å²	78	6%	0.064	47%	0.468	C	S	.	.			trans	-50.8	128.8	-174.7	-179.3	-96.5	0	0	0	110.9	W332 Q333 Q334 H337 W338 R339 T343 P356 M419	W332-W341 HydrophobicContact CD2-CH2 4.33Å; W332-W341 HydrophobicContact CD2-CZ3 4.14Å; W332-W341 AromaticContact CE2-CZ3 3.75Å; W332-W341 HydrophobicContact CG-CZ3 4.29Å; W332-W341 HydrophobicContact CZ2-CZ3 4.19Å; W332-W341 AromaticContact NE1-CZ3 3.64Å; Q333-W341 VanDerWaalsContact C-CZ3 3.4Å; Q333-W341 VanDerWaalsContact CA-CH2 3.43Å; Q334-W341 HydrophobicContact CB-CD2 3.7Å; Q334-W341 HydrophobicContact CB-CE3 4.33Å; Q334-W341 HydrophobicContact CB-CG 3.88Å; Q334-W341 HydrophobicContact CB-CZ2 4.17Å; Q334-W341 HydrophobicContact CG-CB 4.13Å; Q334-W341 HydrophobicContact CG-CD2 4.01Å; Q334-W341 HydrophobicContact CG-CG 3.61Å; H337-W341 HydrophobicContact CB-CE3 4.14Å; H337-W341 HydrophobicContact CB-CZ3 4.16Å; H337-W341 VanDerWaalsContact O-CE3 3.22Å; W338-W341 PolarHBondContact O-N 2.98Å; R339-W341 PolarHBondContact O-N 2.97Å; W341-T343 PolarHBondContact O-N 3.09Å; W341-P356 HydrophobicContact CH2-CB 4.06Å; W341-P356 HydrophobicContact CZ2-CB 3.69Å; W341-P356 HydrophobicContact CZ2-CG 3.78Å; W341-M419 HydrophobicContact CH2-CE 4.4Å; W341-M419 HydrophobicContact CZ2-CE 3.49Å; W341-M419 VanDerWaalsContact CZ2-CE 3.49Å; W341-M419 HydrophobicContact CZ2-SD 4.21Å
342	P	78.2	Confident	61.8	Low	7 Å²	7	81.8 Å²	81.8	5%	0.045	49%	0.494	C	S	.	.			trans	-69.5	95	-177.4	9.1	-2.7	0	0	0	109.9	P356 P448 Y489 I490	P342-P356 HydrophobicContact CB-CG 4.06Å; P342-P356 HydrophobicContact CG-CB 4.19Å; P342-P356 HydrophobicContact CG-CG 3.83Å; P342-P356 WeakPolarHBondContact O-CG 3.13Å; P342-P448 HydrophobicContact CB-CG 3.64Å; P342-P448 HydrophobicContact CG-CG 3.9Å; P342-Y489 HydrophobicContact CG-CD2 4.29Å; P342-Y489 HydrophobicContact CG-CG 4.15Å; P342-I490 HydrophobicContact CB-CD1 3.87Å; P342-I490 HydrophobicContact CB-CG1 4.38Å
343	T	68.5	Low	60.2	Low	77 Å²	77	84.4 Å²	84.4	47%	0.472	51%	0.511	S	S	.	.			trans	-83.4	134	172.3	50	0	0	0	0	109.7	W341 L345	W341-T343 PolarHBondContact O-N 3.09Å; T343-L345 PolarHBondContact O-N 3.31Å
344	T	57.7	Low	59.3	Low	80 Å²	80	88.3 Å²	88.3	49%	0.491	53%	0.529	S	S	.	.			trans	-61.1	100.7	172.5	3.8	0	0	0	0	109.7	T346 N355	T344-T346 PolarHBondContact O-N 3.19Å; T344-N355 WeakPolarHBondContact CG2-OD1 3.24Å
345	L	50.3	Low	59.3	Low	130 Å²	130	87.5 Å²	87.5	68%	0.681	53%	0.527	S	S	*	.			trans	-83.3	102.3	169.8	-81.3	160.3	0	0	0	107.5	T343 G347	T343-L345 PolarHBondContact O-N 3.31Å; L345-G347 PolarHBondContact O-N 2.76Å
346	T	39.7	Very low	60.2	Low	150 Å²	150	79.7 Å²	79.7	92%	0.92	49%	0.491	S	S	*	.			trans	-69.3	71.7	159.2	53	0	0	0	0	108.3	T344	T344-T346 PolarHBondContact O-N 3.19Å
347	G	34.9	Very low	61.1	Low	51 Å²	51	78 Å²	78	53%	0.526	48%	0.483	S	S	.	.			trans	-96.2	143.3	179.2	0	0	0	0	0	111.4	L345 G349	L345-G347 PolarHBondContact O-N 2.76Å; G347-G349 PolarHBondContact O-N 3.49Å
348	A	31.6	Very low	61.9	Low	125 Å²	125	77.9 Å²	77.9	100%	1.033	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	45.9	-167.1	0	0	0	0	0	116.9
349	G	35.7	Very low	63	Low	71 Å²	71	70.5 Å²	70.5	73%	0.732	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.8	11.9	-176.3	0	0	0	0	0	116.6	G347 S351	G347-G349 PolarHBondContact O-N 3.49Å; G349-S351 VanDerWaalsContact C-N 3.32Å; G349-S351 PolarHBondContact O-N 2.83Å
350	G	36.1	Very low	64.2	Low	77 Å²	77	69.3 Å²	69.3	79%	0.794	45%	0.453	S	S	*	.			trans	73.9	2.9	166	0	0	0	0	0	117.9	T352	G350-T352 PolarHBondContact O-N 3.48Å
351	S	39.8	Very low	65.2	Low	103 Å²	103	65.7 Å²	65.7	72%	0.72	43%	0.434	S	S	*	.			trans	-87.5	108.1	172.6	-170.7	0	0	0	0	110	G349 T353	G349-S351 VanDerWaalsContact C-N 3.32Å; G349-S351 PolarHBondContact O-N 2.83Å; S351-T353 PolarHBondContact O-N 3.15Å; S351-T353 VanDerWaalsContact O-N 3.09Å
352	T	45.9	Very low	65.8	Low	128 Å²	128	65 Å²	65	79%	0.785	43%	0.431	S	S	*	.			trans	-70.5	97.5	177.2	49.6	0	0	0	0	109.8	G350 E354	G350-T352 PolarHBondContact O-N 3.48Å; T352-E354 PolarHBondContact O-N 3.01Å
353	T	55.9	Low	66.7	Low	56 Å²	56	64.7 Å²	64.7	34%	0.344	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-65.4	116	167.2	52.7	0	0	0	0	108.7	S351	S351-T353 PolarHBondContact O-N 3.15Å; S351-T353 VanDerWaalsContact O-N 3.09Å
354	E	66.6	Low	68	Low	120 Å²	120	61 Å²	61	56%	0.561	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-59.2	141.5	177	-65.6	-178.7	164.5	0	0	110.8	T352 H357 V447	T352-E354 PolarHBondContact O-N 3.01Å; E354-H357 IonicContact OE2-CE1 2.68Å; E354-H357 PolarHBondContact OE2-CE1 2.72Å; E354-V447 VanDerWaalsContact OE2-CG1 3.24Å; E354-V447 WeakPolarHBondContact OE2-CG1 3.14Å
355	N	81.9	Confident	69.9	Low	80 Å²	80	57.2 Å²	57.2	43%	0.428	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-60.8	147.4	174.9	-71.6	-21.9	0	0	0	110.3	T344 H357	T344-N355 WeakPolarHBondContact CG2-OD1 3.24Å; N355-H357 PolarHBondContact O-N 2.97Å; N355-H357 VanDerWaalsContact O-N 3.12Å; N355-H357 PolarHBondContact O-ND1 2.94Å
356	P	90.3	Very high	72	Confident	2 Å²	2	51 Å²	51	1%	0.013	35%	0.351	C	S	.	.	S	Bend	trans	-55.8	118.2	176.7	-23.4	32.4	0	0	0	111.5	W332 W341 P342 S418 V447	W332-P356 HydrophobicContact CH2-CB 4.06Å; W332-P356 HydrophobicContact CZ3-CB 4.14Å; W341-P356 HydrophobicContact CH2-CB 4.06Å; W341-P356 HydrophobicContact CZ2-CB 3.69Å; W341-P356 HydrophobicContact CZ2-CG 3.78Å; P342-P356 HydrophobicContact CB-CG 4.06Å; P342-P356 HydrophobicContact CG-CB 4.19Å; P342-P356 HydrophobicContact CG-CG 3.83Å; P342-P356 WeakPolarHBondContact O-CG 3.13Å; P356-S418 VanDerWaalsContact O-CB 3.23Å; P356-S418 WeakPolarHBondContact O-CB 3.31Å; P356-S418 PolarHBondContact O-N 3.01Å; P356-V447 WeakPolarHBondContact CA-O 3.44Å
357	H	92.5	Very high	74.5	Confident	49 Å²	49	44 Å²	44	23%	0.227	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	165.4	-178.7	70.7	-80.4	0	0	0	111.6	E354 N355 I416 V447	E354-H357 IonicContact OE2-CE1 2.68Å; E354-H357 PolarHBondContact OE2-CE1 2.72Å; N355-H357 PolarHBondContact O-N 2.97Å; N355-H357 VanDerWaalsContact O-N 3.12Å; N355-H357 PolarHBondContact O-ND1 2.94Å; H357-I416 CarbonylContact C-O 3.43Å; H357-I416 VanDerWaalsContact CA-O 3.3Å; H357-I416 WeakPolarHBondContact CA-O 2.77Å; H357-I416 WeakPolarHBondContact CB-O 3.35Å; H357-V447 WeakPolarHBondContact CE1-CG1 3.33Å; H357-V447 PolarHBondContact N-O 2.88Å; H357-V447 WeakPolarHBondContact O-CA 3.2Å; H357-V447 WeakPolarHBondContact O-CB 3.48Å; H357-V447 PolarHBondContact O-N 3.26Å
358	W	94.7	Very high	76.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.7	167.8	-64.4	14.3	0	0	0	107.8	I328 W332 G415 I416 R445 T454 L476 L577	I328-W358 HydrophobicContact CG2-CZ3 3.72Å; W332-W358 HydrophobicContact CB-CZ2 4.38Å; W332-W358 AromaticContact CE3-CD1 3.6Å; W332-W358 AromaticContact CE3-NE1 3.44Å; W358-G415 CarbonylContact O-C 3.43Å; W358-G415 WeakPolarHBondContact O-CA 3.36Å; W358-I416 HydrophobicContact CB-CB 4.14Å; W358-I416 HydrophobicContact CE3-CD1 4.01Å; W358-I416 HydrophobicContact CG-CB 4.34Å; W358-I416 HydrophobicContact CZ3-CD1 4.37Å; W358-I416 PolarHBondContact N-O 3.35Å; W358-I416 PolarHBondContact O-N 3.19Å; W358-R445 WeakPolarHBondContact CA-O 3.49Å; W358-T454 HydrophobicContact CD2-CG2 4.21Å; W358-T454 HydrophobicContact CE3-CG2 4Å; W358-T454 HydrophobicContact CH2-CG2 4.18Å; W358-T454 HydrophobicContact CZ2-CG2 4.34Å; W358-T454 HydrophobicContact CZ3-CG2 3.98Å; W358-L476 HydrophobicContact CH2-CD1 3.46Å; W358-L476 VanDerWaalsContact CH2-CD1 3.46Å; W358-L476 HydrophobicContact CZ3-CD1 3.62Å; W358-L577 HydrophobicContact CZ2-CB 4.38Å; W358-L577 WeakPolarHBondContact CZ2-O 3.4Å
359	S	95.6	Very high	79.3	Confident	5 Å²	5	42.4 Å²	42.4	4%	0.035	27%	0.268	C	S	.	.			trans	-62.6	176.3	174.3	77.4	0	0	0	0	111.2	I361 G415 S444 R445	S359-I361 PolarHBondContact O-N 3.46Å; S359-G415 VanDerWaalsContact O-CA 3.23Å; S359-G415 WeakPolarHBondContact O-CA 3.42Å; S359-S444 PolarHBondContact O-OG 3.04Å; S359-R445 PolarHBondContact N-O 3.39Å; S359-R445 WeakPolarHBondContact OG-CB 2.98Å; S359-R445 PolarHBondContact OG-N 2.78Å
360	E	95.4	Very high	81.8	Confident	52 Å²	52	39.8 Å²	39.8	24%	0.243	24%	0.236	C	C	.	.			trans	-48.6	136.3	169	-157.9	-179.3	135.8	0	0	111.4	L362 V392 R412 T413	E360-L362 HydrophobicContact CB-CD1 4.06Å; E360-L362 HydrophobicContact CG-CD1 3.84Å; E360-V392 HydrophobicContact CB-CG1 4.16Å; E360-R412 WeakPolarHBondContact OE1-CD 3.35Å; E360-R412 WeakPolarHBondContact OE1-CG 3.49Å; E360-R412 IonicContact OE1-CZ 2.89Å; E360-R412 IonicContact OE1-NE 2.87Å; E360-R412 PolarHBondContact OE1-NE 3.41Å; E360-R412 IonicContact OE1-NH2 3.64Å; E360-R412 PolarHBondContact OE1-NH2 3.49Å; E360-R412 IonicContact OE2-NH2 2.94Å; E360-R412 PolarHBondContact OE2-NH2 2.82Å; E360-T413 WeakPolarHBondContact CG-O 3.43Å
361	I	95.5	Very high	84.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119	-177	-48	-178	0	0	0	107.9	I328 S359 R412 T413 I416 R427 F442	I328-I361 HydrophobicContact CD1-CD1 3.64Å; I328-I361 HydrophobicContact CD1-CG2 3.81Å; I328-I361 HydrophobicContact CG2-CD1 4.26Å; S359-I361 PolarHBondContact O-N 3.46Å; I361-R412 WeakPolarHBondContact O-CA 3.31Å; I361-T413 WeakPolarHBondContact CB-OG1 3.49Å; I361-T413 PolarHBondContact N-O 3.27Å; I361-T413 PolarHBondContact O-N 3.01Å; I361-I416 HydrophobicContact CD1-CD1 4.1Å; I361-I416 HydrophobicContact CD1-CG1 4.4Å; I361-R427 HydrophobicContact CD1-CB 4.43Å; I361-R427 HydrophobicContact CD1-CG 4.41Å; I361-F442 HydrophobicContact CG2-CD2 3.46Å; I361-F442 VanDerWaalsContact CG2-CD2 3.46Å; I361-F442 HydrophobicContact CG2-CE2 3.97Å; I361-F442 HydrophobicContact CG2-CG 4.26Å
362	L	95.6	Very high	86.6	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.5	178.7	-85.9	81	0	0	0	111.2	E360 V392 L395 E396 F399 I411 F442 L443	E360-L362 HydrophobicContact CB-CD1 4.06Å; E360-L362 HydrophobicContact CG-CD1 3.84Å; L362-V392 HydrophobicContact CD1-CB 3.81Å; L362-V392 HydrophobicContact CD1-CG1 3.37Å; L362-V392 HydrophobicContact CD2-CB 3.82Å; L362-V392 HydrophobicContact CD2-CG1 4.25Å; L362-V392 HydrophobicContact CG-CB 4.48Å; L362-V392 HydrophobicContact CG-CG1 4.42Å; L362-L395 HydrophobicContact CB-CD2 3.97Å; L362-L395 HydrophobicContact CD2-CB 4.43Å; L362-L395 HydrophobicContact CD2-CD2 4.29Å; L362-L395 HydrophobicContact CD2-CG 4.47Å; L362-E396 HydrophobicContact CD2-CG 3.71Å; L362-F399 HydrophobicContact CB-CE2 4.28Å; L362-F399 HydrophobicContact CD2-CE2 4.45Å; L362-I411 CarbonylContact C-O 3.54Å; L362-I411 WeakPolarHBondContact CA-O 3.29Å; L362-F442 CarbonylContact O-C 3.42Å; L362-F442 WeakPolarHBondContact O-CA 3.5Å; L362-F442 WeakPolarHBondContact O-CB 3.48Å; L362-L443 PolarHBondContact N-O 3.02Å; L362-L443 VanDerWaalsContact N-O 3.09Å; L362-L443 PolarHBondContact O-N 3.13Å
363	G	96.1	Very high	88.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	-173.2	176.1	0	0	0	0	0	112.4	F399 I411 S441	G363-F399 VanDerWaalsContact O-CE2 3.3Å; G363-F399 WeakPolarHBondContact O-CE2 3.46Å; G363-I411 PolarHBondContact N-O 2.03Å; G363-I411 PolarHBondContact O-N 2.03Å; G363-S441 CarbonylContact C-O 3.56Å; G363-S441 WeakPolarHBondContact CA-O 3.21Å
364	A	96.9	Very high	89.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	154.3	176.7	0	0	0	0	0	111.7	H366 I372 F399 I407 T409 S441	A364-H366 PolarHBondContact O-CD2 3.49Å; A364-I372 HydrophobicContact CB-CD1 4.48Å; A364-F399 HydrophobicContact CB-CZ 4.47Å; A364-I407 HydrophobicContact CB-CD1 4.13Å; A364-I407 HydrophobicContact CB-CG1 4.17Å; A364-I407 HydrophobicContact CB-CG2 3.8Å; A364-T409 CarbonylContact C-O 3.58Å; A364-T409 WeakPolarHBondContact CA-O 3.07Å; A364-S441 PolarHBondContact N-O 3.37Å; A364-S441 PolarHBondContact O-N 2.04Å; A364-S441 VanDerWaalsContact O-N 3.1Å
365	S	96.4	Very high	89.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.3	152.1	54.5	0	0	0	0	109.5	L408 T409 A432 L439	S365-L408 PolarHBondContact O-N 2.9Å; S365-T409 PolarHBondContact N-O 3.41Å; S365-T409 WeakPolarHBondContact OG-CB 3.29Å; S365-T409 PolarHBondContact OG-N 3.45Å; S365-T409 PolarHBondContact OG-O 2.82Å; S365-A432 WeakPolarHBondContact CB-O 3.32Å; S365-A432 PolarHBondContact OG-O 3.48Å; S365-L439 CarbonylContact C-O 3.6Å; S365-L439 WeakPolarHBondContact CA-O 3.47Å
366	H	94.7	Very high	89	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.8	-167.2	66.6	88.5	0	0	0	113.2	A364 Y370 N406 I407 H437 L439 S441	A364-H366 PolarHBondContact O-CD2 3.49Å; H366-Y370 HydrophobicContact CB-CD1 3.92Å; H366-Y370 PolarHBondContact CE1-O 2.84Å; H366-Y370 VanDerWaalsContact CE1-O 3.25Å; H366-Y370 PolarHBondContact ND1-O 3.49Å; H366-N406 CarbonylContact C-O 3.44Å; H366-N406 WeakPolarHBondContact CA-O 3.48Å; H366-N406 WeakPolarHBondContact CB-O 3.05Å; H366-I407 HydrophobicContact CB-CG1 4.21Å; H366-H437 CarbonylContact O-C 3.55Å; H366-H437 WeakPolarHBondContact O-CA 3.42Å; H366-L439 PolarHBondContact N-O 3.47Å; H366-L439 WeakPolarHBondContact O-CB 3.04Å; H366-L439 PolarHBondContact O-N 2.72Å; H366-L439 VanDerWaalsContact O-N 3.16Å; H366-S441 WeakPolarHBondContact NE2-CB 3.11Å; H366-S441 PolarHBondContact NE2-OG 3.43Å
367	S	91.9	Very high	88	Confident	3 Å²	3	18.7 Å²	18.7	2%	0.021	10%	0.097	C	C	.	.			trans	-77.4	162.2	174.8	74.8	0	0	0	0	111.3	Q369 Y370 N406 S436	S367-Q369 PolarHBondContact O-N 3.36Å; S367-Q369 VanDerWaalsContact O-N 3.15Å; S367-Q369 PolarHBondContact OG-N 3.27Å; S367-Q369 PolarHBondContact OG-OE1 3.21Å; S367-Q369 VanDerWaalsContact OG-OE1 3.04Å; S367-Y370 PolarHBondContact O-N 2.82Å; S367-N406 PolarHBondContact N-O 2.85Å; S367-N406 WeakPolarHBondContact OG-CA 3.48Å; S367-N406 WeakPolarHBondContact OG-CB 3.46Å; S367-N406 PolarHBondContact OG-OD1 3.28Å; S367-S436 VanDerWaalsContact CA-O 3.31Å; S367-S436 WeakPolarHBondContact CA-O 3.1Å; S367-S436 WeakPolarHBondContact CB-O 3.23Å
368	P	83.6	Confident	87.7	Confident	22 Å²	22	23.2 Å²	23.2	14%	0.143	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.7	173.3	-24.6	35	0	0	0	115.4	V313 L439 R458	V313-P368 HydrophobicContact CB-CB 4.16Å; V313-P368 HydrophobicContact CB-CG 4.24Å; V313-P368 HydrophobicContact CG1-CB 4.26Å; V313-P368 HydrophobicContact CG1-CG 3.82Å; P368-L439 HydrophobicContact CB-CD1 4.26Å; P368-L439 HydrophobicContact CG-CD1 4.24Å; P368-R458 PolarHBondContact O-NH2 3.32Å; P368-R458 VanDerWaalsContact O-NH2 3.08Å
369	Q	84.9	Confident	87.6	Confident	121 Å²	121	24.2 Å²	24.2	57%	0.565	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.4	-180	-67.6	74.5	8.1	0	0	112.9	S367 N406	S367-Q369 PolarHBondContact O-N 3.36Å; S367-Q369 VanDerWaalsContact O-N 3.15Å; S367-Q369 PolarHBondContact OG-N 3.27Å; S367-Q369 PolarHBondContact OG-OE1 3.21Å; S367-Q369 VanDerWaalsContact OG-OE1 3.04Å; Q369-N406 WeakPolarHBondContact CB-OD1 3.24Å
370	Y	87.9	Confident	87.4	Confident	15 Å²	15	25.5 Å²	25.5	6%	0.059	13%	0.13	C	C	.	.			trans	-106.5	142.3	176.8	-178.4	-111.1	0	0	0	111.4	H366 S367 I372 E398 F399 Q402 N406 I407	H366-Y370 HydrophobicContact CB-CD1 3.92Å; H366-Y370 PolarHBondContact CE1-O 2.84Å; H366-Y370 VanDerWaalsContact CE1-O 3.25Å; H366-Y370 PolarHBondContact ND1-O 3.49Å; S367-Y370 PolarHBondContact O-N 2.82Å; Y370-I372 HydrophobicContact CD1-CG1 4.33Å; Y370-I372 HydrophobicContact CE1-CD1 4.38Å; Y370-I372 HydrophobicContact CE1-CG1 3.61Å; Y370-E398 HydrophobicContact CE2-CG 4.32Å; Y370-E398 WeakPolarHBondContact CE2-OE1 3.41Å; Y370-E398 VanDerWaalsContact CZ-OE1 3.31Å; Y370-E398 VanDerWaalsContact OH-CD 3.26Å; Y370-E398 PolarHBondContact OH-OE1 3Å; Y370-F399 HydrophobicContact CE1-CD1 4.24Å; Y370-F399 HydrophobicContact CE1-CE1 4.06Å; Y370-F399 WeakPolarHBondContact OH-CD1 3.32Å; Y370-F399 WeakPolarHBondContact OH-CE1 3.43Å; Y370-Q402 HydrophobicContact CD2-CG 3.94Å; Y370-Q402 HydrophobicContact CE2-CG 3.82Å; Y370-N406 HydrophobicContact CG-CB 4.36Å; Y370-I407 HydrophobicContact CD1-CD1 4Å; Y370-I407 HydrophobicContact CD1-CG1 3.86Å; Y370-I407 HydrophobicContact CE1-CD1 3.59Å; Y370-I407 HydrophobicContact CE1-CG1 3.99Å
371	D	85	Confident	87.3	Confident	44 Å²	44	27.5 Å²	27.5	24%	0.235	15%	0.148	C	C	.	.			trans	-139.4	120.3	-178.9	-159.8	-9.4	0	0	0	110.1	F373 H374 R458	D371-F373 PolarHBondContact OD1-N 3.37Å; D371-H374 IonicContact OD2-CD2 3.92Å; D371-H374 PolarHBondContact OD2-CD2 3.4Å; D371-H374 IonicContact OD2-CG 3.63Å; D371-H374 IonicContact OD2-NE2 2.65Å; D371-R458 VanDerWaalsContact CG-NH1 3.33Å; D371-R458 IonicContact OD2-CZ 2.88Å; D371-R458 IonicContact OD2-NH1 3.15Å; D371-R458 PolarHBondContact OD2-NH1 2.74Å
372	I	91.1	Very high	87.3	Confident	7 Å²	7	27.7 Å²	27.7	4%	0.036	15%	0.149	C	C	.	.	S	Bend	trans	-78.4	-48.7	177.1	-55.1	-176.8	0	0	0	109.5	A364 Y370 V383 L395 F399	A364-I372 HydrophobicContact CB-CD1 4.48Å; Y370-I372 HydrophobicContact CD1-CG1 4.33Å; Y370-I372 HydrophobicContact CE1-CD1 4.38Å; Y370-I372 HydrophobicContact CE1-CG1 3.61Å; I372-V383 HydrophobicContact CG2-CG2 4.41Å; I372-V383 VanDerWaalsContact O-CG2 3.3Å; I372-V383 WeakPolarHBondContact O-CG2 3.42Å; I372-L395 HydrophobicContact CG2-CD1 4.38Å; I372-F399 HydrophobicContact CD1-CE1 3.82Å; I372-F399 HydrophobicContact CD1-CZ 3.74Å; I372-F399 HydrophobicContact CG1-CE1 4.15Å; I372-F399 HydrophobicContact CG1-CZ 4.5Å
373	F	89.5	Confident	87.3	Confident	6 Å²	6	27.6 Å²	27.6	3%	0.026	15%	0.149	C	C	.	.			trans	-166.7	154.1	178.4	75.2	-75.9	0	0	0	109.8	D371 F442 L443 L456 S457 W479 M504	D371-F373 PolarHBondContact OD1-N 3.37Å; F373-F442 WeakPolarHBondContact CE1-O 3.47Å; F373-L443 HydrophobicContact CD1-CD1 4.02Å; F373-L443 HydrophobicContact CD2-CD1 4.29Å; F373-L443 HydrophobicContact CE1-CB 4.29Å; F373-L443 HydrophobicContact CE1-CD1 3.65Å; F373-L443 HydrophobicContact CE1-CG 4.48Å; F373-L443 HydrophobicContact CE2-CD1 3.93Å; F373-L443 HydrophobicContact CG-CD1 4.33Å; F373-L443 HydrophobicContact CZ-CD1 3.59Å; F373-L456 VanDerWaalsContact CE1-O 3.29Å; F373-L456 WeakPolarHBondContact CE1-O 3.11Å; F373-L456 WeakPolarHBondContact CZ-O 3.38Å; F373-S457 WeakPolarHBondContact O-CB 3.33Å; F373-S457 PolarHBondContact O-OG 2.74Å; F373-W479 HydrophobicContact CD2-CD2 4.44Å; F373-W479 HydrophobicContact CD2-CE3 4.38Å; F373-W479 AromaticContact CE2-CD2 3.92Å; F373-W479 HydrophobicContact CE2-CD2 3.92Å; F373-W479 AromaticContact CE2-CE2 3.83Å; F373-W479 HydrophobicContact CE2-CE3 4.26Å; F373-W479 HydrophobicContact CE2-CG 4.33Å; F373-W479 HydrophobicContact CE2-CH2 4.43Å; F373-W479 HydrophobicContact CE2-CZ2 4.11Å; F373-W479 HydrophobicContact CE2-CZ3 4.49Å; F373-M504 HydrophobicContact CB-CE 3.9Å; F373-M504 HydrophobicContact CB-SD 3.69Å; F373-M504 HydrophobicContact CD2-CE 3.97Å; F373-M504 HydrophobicContact CG-CE 4.21Å
374	H	79.2	Confident	87.2	Confident	43 Å²	43	28.4 Å²	28.4	20%	0.199	15%	0.153	C	C	.	.			trans	-154.3	163.4	171.1	65.3	95.7	0	0	0	110.1	D371 G376 G377	D371-H374 IonicContact OD2-CD2 3.92Å; D371-H374 PolarHBondContact OD2-CD2 3.4Å; D371-H374 IonicContact OD2-CG 3.63Å; D371-H374 IonicContact OD2-NE2 2.65Å; H374-G376 PolarHBondContact O-N 3.49Å; H374-G377 VanDerWaalsContact CE1-CA 3.42Å; H374-G377 WeakPolarHBondContact CE1-CA 3.45Å; H374-G377 PolarHBondContact CE1-N 2.04Å; H374-G377 WeakPolarHBondContact NE2-CA 2.87Å; H374-G377 PolarHBondContact O-N 3.03Å
375	A	67.3	Low	87.2	Confident	6 Å²	6	28.7 Å²	28.7	5%	0.05	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	136.9	174.3	0	0	0	0	0	110.8	E308 G377 W479	E308-A375 HydrophobicContact CB-CB 4.48Å; E308-A375 WeakPolarHBondContact CB-O 3.46Å; E308-A375 HydrophobicContact CG-CB 3.99Å; E308-A375 WeakPolarHBondContact OE2-CB 3.32Å; A375-G377 PolarHBondContact O-N 3.27Å; A375-W479 HydrophobicContact CB-CH2 3.86Å; A375-W479 HydrophobicContact CB-CZ3 3.69Å
376	G	65.4	Low	87.2	Confident	9 Å²	9	28.7 Å²	28.7	9%	0.093	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-6.7	-176.7	0	0	0	0	0	115.1	H374 M504	H374-G376 PolarHBondContact O-N 3.49Å; G376-M504 PolarHBondContact N-O 3.3Å
377	G	69.7	Low	87.2	Confident	9 Å²	9	28.7 Å²	28.7	9%	0.093	16%	0.155	C	C	.	.	S	Bend	trans	-81.1	160.8	168.2	0	0	0	0	0	111.7	H374 A375 P503 M504	H374-G377 VanDerWaalsContact CE1-CA 3.42Å; H374-G377 WeakPolarHBondContact CE1-CA 3.45Å; H374-G377 PolarHBondContact CE1-N 2.04Å; H374-G377 WeakPolarHBondContact NE2-CA 2.87Å; H374-G377 PolarHBondContact O-N 3.03Å; A375-G377 PolarHBondContact O-N 3.27Å; G377-P503 CarbonylContact O-C 3.52Å; G377-P503 WeakPolarHBondContact O-CA 3.33Å; G377-M504 PolarHBondContact O-N 2.71Å
378	Y	86.1	Confident	87.3	Confident	143 Å²	143	29.6 Å²	29.6	56%	0.561	16%	0.161	S	C	*	.	P	Polyproline II helix	trans	-92.4	142	173.1	-70	-87.8	0	0	0	110.3	S380 P501 P503	Y378-S380 PolarHBondContact O-N 2.8Å; Y378-P501 HydrophobicContact CD1-CB 4.31Å; Y378-P501 WeakPolarHBondContact CE1-O 3.4Å; Y378-P503 HydrophobicContact CE1-CG 4.15Å
379	A	90.7	Very high	87.8	Confident	21 Å²	21	33 Å²	33	17%	0.174	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-59.3	124.8	174.5	0	0	0	0	0	110.2	V383 A481 V483 M504	A379-V383 HydrophobicContact CB-CB 4.18Å; A379-V383 HydrophobicContact CB-CG1 3.88Å; A379-A481 HydrophobicContact CB-CB 4.38Å; A379-V483 HydrophobicContact CB-CG1 4.28Å; A379-M504 HydrophobicContact CB-CG 4.07Å; A379-M504 HydrophobicContact CB-SD 3.96Å
380	S	93	Very high	88.2	Confident	32 Å²	32	29.1 Å²	29.1	22%	0.224	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-63.8	161.1	171.1	81.3	0	0	0	0	110	Y378 A382 V383 D384	Y378-S380 PolarHBondContact O-N 2.8Å; S380-A382 PolarHBondContact O-N 2.95Å; S380-A382 PolarHBondContact OG-N 2.83Å; S380-V383 PolarHBondContact O-N 3.29Å; S380-V383 PolarHBondContact OG-N 3.36Å; S380-D384 WeakPolarHBondContact O-CB 3.03Å; S380-D384 PolarHBondContact O-N 3.03Å
381	P	93.8	Very high	88.6	Confident	94 Å²	94	31 Å²	31	61%	0.61	18%	0.179	S	C	*	.	H	α-helix	trans	-56	-23.5	174.8	-26.2	35.2	0	0	0	114.2	A385 K394	P381-A385 WeakPolarHBondContact O-CB 3.46Å; P381-A385 PolarHBondContact O-N 3.4Å; P381-K394 WeakPolarHBondContact O-CD 3.05Å
382	A	94.2	Very high	89	Confident	4 Å²	4	29.7 Å²	29.7	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-78.7	-45	174.4	0	0	0	0	0	112.1	S380 A385 L386 K394 L395 E398	S380-A382 PolarHBondContact O-N 2.95Å; S380-A382 PolarHBondContact OG-N 2.83Å; A382-A385 PolarHBondContact O-N 2.97Å; A382-L386 PolarHBondContact O-N 3.48Å; A382-K394 HydrophobicContact CB-CB 3.8Å; A382-L395 HydrophobicContact CB-CB 4Å; A382-L395 HydrophobicContact CB-CD1 4.05Å; A382-E398 WeakPolarHBondContact CB-OE2 3.38Å
383	V	95.4	Very high	89.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-40.5	175.6	173.8	0	0	0	0	111.5	I372 A379 S380 L386 C387 L443 M504	I372-V383 HydrophobicContact CG2-CG2 4.41Å; I372-V383 VanDerWaalsContact O-CG2 3.3Å; I372-V383 WeakPolarHBondContact O-CG2 3.42Å; A379-V383 HydrophobicContact CB-CB 4.18Å; A379-V383 HydrophobicContact CB-CG1 3.88Å; S380-V383 PolarHBondContact O-N 3.29Å; S380-V383 PolarHBondContact OG-N 3.36Å; V383-L386 PolarHBondContact O-N 2.84Å; V383-C387 VanDerWaalsContact O-CB 3.28Å; V383-C387 WeakPolarHBondContact O-CB 3.3Å; V383-C387 PolarHBondContact O-N 3.25Å; V383-C387 PolarHBondContact O-SG 3.04Å; V383-C387 VanDerWaalsContact O-SG 3.4Å; V383-L443 HydrophobicContact CG1-CD2 3.81Å; V383-M504 HydrophobicContact CG1-CE 3.76Å; V383-M504 HydrophobicContact CG1-SD 3.86Å
384	D	95.3	Very high	89.4	Confident	18 Å²	18	37.4 Å²	37.4	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-54.5	-56.7	172.2	171	32	0	0	0	110.7	S380 L386 C387 T388 V483 R497	S380-D384 WeakPolarHBondContact O-CB 3.03Å; S380-D384 PolarHBondContact O-N 3.03Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 3.02Å; D384-C387 CarbonylContact O-C 3.48Å; D384-C387 PolarHBondContact O-N 2.64Å; D384-C387 VanDerWaalsContact O-N 3.13Å; D384-T388 WeakPolarHBondContact O-CB 3.44Å; D384-T388 WeakPolarHBondContact O-CG2 3.32Å; D384-T388 PolarHBondContact O-N 3.22Å; D384-T388 PolarHBondContact O-OG1 3.44Å; D384-T388 WeakPolarHBondContact OD1-CG2 3.45Å; D384-V483 HydrophobicContact CB-CG1 4.46Å; D384-R497 VanDerWaalsContact CG-NH1 3.34Å; D384-R497 IonicContact OD1-CZ 3.48Å; D384-R497 IonicContact OD1-NH1 3.83Å; D384-R497 PolarHBondContact OD1-NH1 3.5Å; D384-R497 IonicContact OD1-NH2 3.84Å; D384-R497 IonicContact OD2-CZ 2.7Å; D384-R497 VanDerWaalsContact OD2-CZ 3.29Å; D384-R497 IonicContact OD2-NH1 2.77Å; D384-R497 PolarHBondContact OD2-NH1 3.41Å; D384-R497 IonicContact OD2-NH2 2.73Å; D384-R497 PolarHBondContact OD2-NH2 3.42Å
385	A	95.8	Very high	90.1	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-39.6	179.5	0	0	0	0	0	113.4	P381 A382 T389 S390 D391 K394	P381-A385 WeakPolarHBondContact O-CB 3.46Å; P381-A385 PolarHBondContact O-N 3.4Å; A382-A385 PolarHBondContact O-N 2.97Å; A385-T389 PolarHBondContact O-N 3.03Å; A385-T389 PolarHBondContact O-OG1 3.42Å; A385-S390 PolarHBondContact O-N 3.25Å; A385-D391 CarbonylContact C-O 3.4Å; A385-D391 HydrophobicContact CB-CB 4.29Å; A385-D391 PolarHBondContact O-N 2.69Å; A385-D391 VanDerWaalsContact O-N 3.15Å; A385-K394 HydrophobicContact CB-CD 3.9Å
386	L	96.1	Very high	91.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-51.5	174.2	175.9	55.4	0	0	0	110.9	A382 V383 D384 T388 S390 D391 V392 L395 L443 R445	A382-L386 PolarHBondContact O-N 3.48Å; V383-L386 PolarHBondContact O-N 2.84Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 3.02Å; L386-T388 VanDerWaalsContact C-N 3.35Å; L386-T388 PolarHBondContact O-N 2.72Å; L386-S390 VanDerWaalsContact O-CA 3.31Å; L386-S390 WeakPolarHBondContact O-CA 3.04Å; L386-S390 PolarHBondContact O-N 2.97Å; L386-S390 VanDerWaalsContact O-N 3.08Å; L386-D391 PolarHBondContact N-O 2.87Å; L386-V392 HydrophobicContact CD1-CG1 3.88Å; L386-L395 HydrophobicContact CD2-CD2 3.83Å; L386-L443 HydrophobicContact CD2-CB 4.08Å; L386-L443 HydrophobicContact CD2-CD2 4.15Å; L386-L443 HydrophobicContact CD2-CG 4.38Å; L386-R445 WeakPolarHBondContact O-CB 3.47Å; L386-R445 WeakPolarHBondContact O-CD 3.38Å
387	C	96	Very high	92.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-75.6	-17	-173.9	-67.3	0	0	0	0	114.2	V383 D384 L443 R445 D451 C453 A481	V383-C387 VanDerWaalsContact O-CB 3.28Å; V383-C387 WeakPolarHBondContact O-CB 3.3Å; V383-C387 PolarHBondContact O-N 3.25Å; V383-C387 PolarHBondContact O-SG 3.04Å; V383-C387 VanDerWaalsContact O-SG 3.4Å; D384-C387 CarbonylContact O-C 3.48Å; D384-C387 PolarHBondContact O-N 2.64Å; D384-C387 VanDerWaalsContact O-N 3.13Å; C387-L443 WeakPolarHBondContact SG-CD2 3.39Å; C387-R445 WeakPolarHBondContact O-CD 3.26Å; C387-R445 PolarHBondContact O-NH1 3.26Å; C387-D451 CarbonylContact O-C 3.31Å; C387-D451 WeakPolarHBondContact O-CA 3.46Å; C387-C453 WeakPolarHBondContact CA-SG 3.05Å; C387-C453 HydrophobicContact CB-CB 4.26Å; C387-C453 WeakPolarHBondContact CB-SG 3.04Å; C387-C453 WeakPolarHBondContact SG-CB 3.33Å; C387-C453 CovalentContact SG-SG 2.04Å; C387-C453 PolarHBondContact SG-SG 3.06Å; C387-A481 HydrophobicContact CB-CB 3.79Å
388	T	94.4	Very high	93.8	Very high	23 Å²	23	40.7 Å²	40.7	14%	0.141	23%	0.23	C	C	.	.	H	α-helix	trans	-103.8	-37.6	177	61.8	0	0	0	0	114.3	D384 L386 R445 D451 V483 M484	D384-T388 WeakPolarHBondContact O-CB 3.44Å; D384-T388 WeakPolarHBondContact O-CG2 3.32Å; D384-T388 PolarHBondContact O-N 3.22Å; D384-T388 PolarHBondContact O-OG1 3.44Å; D384-T388 WeakPolarHBondContact OD1-CG2 3.45Å; L386-T388 VanDerWaalsContact C-N 3.35Å; L386-T388 PolarHBondContact O-N 2.72Å; T388-R445 PolarHBondContact O-NH1 3.34Å; T388-R445 PolarHBondContact O-NH2 3.46Å; T388-R445 VanDerWaalsContact O-NH2 3.13Å; T388-D451 HydrophobicContact CG2-CB 4.06Å; T388-V483 HydrophobicContact CG2-CG2 3.49Å; T388-V483 VanDerWaalsContact CG2-CG2 3.49Å; T388-M484 HydrophobicContact CG2-CG 3.64Å; T388-M484 HydrophobicContact CG2-SD 4.38Å
389	T	93.1	Very high	94.2	Very high	94 Å²	94	34 Å²	34	58%	0.577	20%	0.204	S	C	*	.	H	α-helix	trans	-126	4.4	-171.2	53.9	0	0	0	0	113.9	A385 D391	A385-T389 PolarHBondContact O-N 3.03Å; A385-T389 PolarHBondContact O-OG1 3.42Å; T389-D391 PolarHBondContact O-N 3.37Å
390	S	94.1	Very high	94.2	Very high	39 Å²	39	40.7 Å²	40.7	27%	0.273	22%	0.224	S	C	.	.			trans	60.5	18.9	-172.5	-52.5	0	0	0	0	113.6	A385 L386 V392 R445	A385-S390 PolarHBondContact O-N 3.25Å; L386-S390 VanDerWaalsContact O-CA 3.31Å; L386-S390 WeakPolarHBondContact O-CA 3.04Å; L386-S390 PolarHBondContact O-N 2.97Å; L386-S390 VanDerWaalsContact O-N 3.08Å; S390-V392 PolarHBondContact O-N 2.8Å; S390-R445 WeakPolarHBondContact OG-CD 3.25Å
391	D	95.1	Very high	94.2	Very high	55 Å²	55	44.9 Å²	44.9	29%	0.294	24%	0.244	S	C	.	.			trans	-84.8	113.2	-179.6	177.4	18.8	0	0	0	110.5	A385 L386 T389 S393	A385-D391 CarbonylContact C-O 3.4Å; A385-D391 HydrophobicContact CB-CB 4.29Å; A385-D391 PolarHBondContact O-N 2.69Å; A385-D391 VanDerWaalsContact O-N 3.15Å; L386-D391 PolarHBondContact N-O 2.87Å; T389-D391 PolarHBondContact O-N 3.37Å; D391-S393 WeakPolarHBondContact OD1-CB 3.44Å; D391-S393 PolarHBondContact OD1-N 2.84Å; D391-S393 PolarHBondContact OD1-OG 2.78Å
392	V	94.3	Very high	94	Very high	15 Å²	15	42.8 Å²	42.8	9%	0.091	23%	0.226	C	C	.	.			trans	-91.1	-11.5	-177	-60.5	0	0	0	0	113.1	E360 L362 L386 S390 K394 L395 E396	E360-V392 HydrophobicContact CB-CG1 4.16Å; L362-V392 HydrophobicContact CD1-CB 3.81Å; L362-V392 HydrophobicContact CD1-CG1 3.37Å; L362-V392 HydrophobicContact CD2-CB 3.82Å; L362-V392 HydrophobicContact CD2-CG1 4.25Å; L362-V392 HydrophobicContact CG-CB 4.48Å; L362-V392 HydrophobicContact CG-CG1 4.42Å; L386-V392 HydrophobicContact CD1-CG1 3.88Å; S390-V392 PolarHBondContact O-N 2.8Å; V392-K394 VanDerWaalsContact C-N 3.3Å; V392-K394 PolarHBondContact O-N 2.98Å; V392-L395 PolarHBondContact O-N 2.87Å; V392-L395 VanDerWaalsContact O-N 3.1Å; V392-E396 WeakPolarHBondContact O-CG 3.05Å; V392-E396 PolarHBondContact O-N 2.74Å
393	S	94.4	Very high	93.7	Very high	72 Å²	72	45.5 Å²	45.5	50%	0.503	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-39.6	-167.3	-48.8	0	0	0	0	112.5	D391 S397	D391-S393 WeakPolarHBondContact OD1-CB 3.44Å; D391-S393 PolarHBondContact OD1-N 2.84Å; D391-S393 PolarHBondContact OD1-OG 2.78Å; S393-S397 PolarHBondContact O-N 3.12Å
394	K	94.2	Very high	92.9	Very high	104 Å²	104	48.9 Å²	48.9	45%	0.452	28%	0.284	S	S	.	.	H	α-helix	trans	-67.6	-43.7	177.9	-66.9	-177.5	-172.9	172.7	0	112	P381 A382 A385 V392 S397 E398	P381-K394 WeakPolarHBondContact O-CD 3.05Å; A382-K394 HydrophobicContact CB-CB 3.8Å; A385-K394 HydrophobicContact CB-CD 3.9Å; V392-K394 VanDerWaalsContact C-N 3.3Å; V392-K394 PolarHBondContact O-N 2.98Å; K394-S397 WeakPolarHBondContact O-CB 3.21Å; K394-S397 PolarHBondContact O-N 3.17Å; K394-E398 PolarHBondContact O-N 2.63Å
395	L	93.7	Very high	92.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-69.6	-38.9	-179.7	-170.6	61.8	0	0	0	111.2	L362 I372 A382 L386 V392 S397 E398 F399	L362-L395 HydrophobicContact CB-CD2 3.97Å; L362-L395 HydrophobicContact CD2-CB 4.43Å; L362-L395 HydrophobicContact CD2-CD2 4.29Å; L362-L395 HydrophobicContact CD2-CG 4.47Å; I372-L395 HydrophobicContact CG2-CD1 4.38Å; A382-L395 HydrophobicContact CB-CB 4Å; A382-L395 HydrophobicContact CB-CD1 4.05Å; L386-L395 HydrophobicContact CD2-CD2 3.83Å; V392-L395 PolarHBondContact O-N 2.87Å; V392-L395 VanDerWaalsContact O-N 3.1Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 2.96Å; L395-E398 WeakPolarHBondContact O-CB 3.31Å; L395-E398 PolarHBondContact O-N 2.95Å; L395-F399 HydrophobicContact CD1-CD1 4.29Å; L395-F399 HydrophobicContact CD1-CE1 3.64Å; L395-F399 HydrophobicContact CD1-CZ 3.89Å; L395-F399 HydrophobicContact CD2-CE2 4.39Å; L395-F399 HydrophobicContact CD2-CZ 3.93Å; L395-F399 HydrophobicContact CG-CD1 4.47Å; L395-F399 HydrophobicContact CG-CE1 3.89Å; L395-F399 HydrophobicContact CG-CE2 4.1Å; L395-F399 HydrophobicContact CG-CZ 3.68Å; L395-F399 WeakPolarHBondContact O-CG 3.25Å; L395-F399 PolarHBondContact O-N 3.34Å
396	E	93.9	Very high	92.4	Very high	30 Å²	30	55.2 Å²	55.2	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-42.3	171.2	-72.4	-169.7	-179.9	0	0	112.2	L362 V392 E398 F399 R400 R412	L362-E396 HydrophobicContact CD2-CG 3.71Å; V392-E396 WeakPolarHBondContact O-CG 3.05Å; V392-E396 PolarHBondContact O-N 2.74Å; E396-E398 VanDerWaalsContact C-N 3.33Å; E396-F399 PolarHBondContact O-N 3.47Å; E396-R400 WeakPolarHBondContact O-CG 3.36Å; E396-R400 PolarHBondContact O-N 2.84Å; E396-R400 IonicContact OE2-CZ 3.13Å; E396-R400 IonicContact OE2-NH1 2.96Å; E396-R400 IonicContact OE2-NH2 2.93Å; E396-R400 PolarHBondContact OE2-NH2 3.48Å; E396-R412 IonicContact OE1-CZ 3.76Å; E396-R412 IonicContact OE1-NE 3.43Å; E396-R412 IonicContact OE1-NH1 3.04Å; E396-R412 PolarHBondContact OE1-NH1 2.97Å; E396-R412 IonicContact OE1-NH2 3.34Å; E396-R412 PolarHBondContact OE1-NH2 3.28Å; E396-R412 IonicContact OE2-NH1 3.19Å
397	S	93.2	Very high	92.3	Very high	54 Å²	54	55.4 Å²	55.4	38%	0.378	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.3	-172.2	0	0	0	0	111.6	S393 K394 L395 R400 N401	S393-S397 PolarHBondContact O-N 3.12Å; K394-S397 WeakPolarHBondContact O-CB 3.21Å; K394-S397 PolarHBondContact O-N 3.17Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 2.96Å; S397-R400 PolarHBondContact O-N 2.8Å; S397-N401 PolarHBondContact O-N 2.91Å; S397-N401 VanDerWaalsContact O-N 3.1Å; S397-N401 PolarHBondContact O-ND2 2.73Å; S397-N401 PolarHBondContact O-OD1 2.71Å
398	E	92.8	Very high	92.3	Very high	51 Å²	51	58.5 Å²	58.5	24%	0.238	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-45.3	175.5	-166	-178.8	142.3	0	0	111	Y370 A382 K394 L395 E396 R400 N401 Q402	Y370-E398 HydrophobicContact CE2-CG 4.32Å; Y370-E398 WeakPolarHBondContact CE2-OE1 3.41Å; Y370-E398 VanDerWaalsContact CZ-OE1 3.31Å; Y370-E398 VanDerWaalsContact OH-CD 3.26Å; Y370-E398 PolarHBondContact OH-OE1 3Å; A382-E398 WeakPolarHBondContact CB-OE2 3.38Å; K394-E398 PolarHBondContact O-N 2.63Å; L395-E398 WeakPolarHBondContact O-CB 3.31Å; L395-E398 PolarHBondContact O-N 2.95Å; E396-E398 VanDerWaalsContact C-N 3.33Å; E398-R400 PolarHBondContact O-N 3.29Å; E398-N401 PolarHBondContact O-N 3.33Å; E398-N401 VanDerWaalsContact O-N 3.16Å; E398-Q402 WeakPolarHBondContact O-CG 3.38Å; E398-Q402 PolarHBondContact O-N 2.92Å
399	F	94.3	Very high	92.3	Very high	3 Å²	3	59 Å²	59	1%	0.013	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-41.1	176.7	-69	-8.1	0	0	0	113	L362 G363 A364 Y370 I372 L395 E396 N401 Q402 A403 I407 V410	L362-F399 HydrophobicContact CB-CE2 4.28Å; L362-F399 HydrophobicContact CD2-CE2 4.45Å; G363-F399 VanDerWaalsContact O-CE2 3.3Å; G363-F399 WeakPolarHBondContact O-CE2 3.46Å; A364-F399 HydrophobicContact CB-CZ 4.47Å; Y370-F399 HydrophobicContact CE1-CD1 4.24Å; Y370-F399 HydrophobicContact CE1-CE1 4.06Å; Y370-F399 WeakPolarHBondContact OH-CD1 3.32Å; Y370-F399 WeakPolarHBondContact OH-CE1 3.43Å; I372-F399 HydrophobicContact CD1-CE1 3.82Å; I372-F399 HydrophobicContact CD1-CZ 3.74Å; I372-F399 HydrophobicContact CG1-CE1 4.15Å; I372-F399 HydrophobicContact CG1-CZ 4.5Å; L395-F399 HydrophobicContact CD1-CD1 4.29Å; L395-F399 HydrophobicContact CD1-CE1 3.64Å; L395-F399 HydrophobicContact CD1-CZ 3.89Å; L395-F399 HydrophobicContact CD2-CE2 4.39Å; L395-F399 HydrophobicContact CD2-CZ 3.93Å; L395-F399 HydrophobicContact CG-CD1 4.47Å; L395-F399 HydrophobicContact CG-CE1 3.89Å; L395-F399 HydrophobicContact CG-CE2 4.1Å; L395-F399 HydrophobicContact CG-CZ 3.68Å; L395-F399 WeakPolarHBondContact O-CG 3.25Å; L395-F399 PolarHBondContact O-N 3.34Å; E396-F399 PolarHBondContact O-N 3.47Å; F399-N401 VanDerWaalsContact C-N 3.26Å; F399-N401 PolarHBondContact O-N 2.78Å; F399-Q402 PolarHBondContact O-N 2.92Å; F399-A403 WeakPolarHBondContact O-CB 3.32Å; F399-A403 PolarHBondContact O-N 2.79Å; F399-I407 HydrophobicContact CB-CD1 3.98Å; F399-I407 HydrophobicContact CD1-CD1 3.48Å; F399-I407 VanDerWaalsContact CD1-CD1 3.48Å; F399-I407 HydrophobicContact CE1-CD1 4.25Å; F399-I407 HydrophobicContact CG-CD1 3.92Å; F399-V410 HydrophobicContact CB-CG2 4.02Å; F399-V410 HydrophobicContact CD2-CG1 3.73Å; F399-V410 HydrophobicContact CD2-CG2 4.19Å; F399-V410 HydrophobicContact CE2-CG1 4.3Å; F399-V410 HydrophobicContact CG-CG2 4.42Å
400	R	91.6	Very high	92.4	Very high	161 Å²	161	57.9 Å²	57.9	61%	0.608	33%	0.326	S	S	*	.	H	α-helix	trans	-60.7	-37.4	174.8	-73.8	179.2	-167.6	116.8	11.3	111.8	E396 S397 E398	E396-R400 WeakPolarHBondContact O-CG 3.36Å; E396-R400 PolarHBondContact O-N 2.84Å; E396-R400 IonicContact OE2-CZ 3.13Å; E396-R400 IonicContact OE2-NH1 2.96Å; E396-R400 IonicContact OE2-NH2 2.93Å; E396-R400 PolarHBondContact OE2-NH2 3.48Å; S397-R400 PolarHBondContact O-N 2.8Å; E398-R400 PolarHBondContact O-N 3.29Å
401	N	92	Very high	92.5	Very high	120 Å²	120	56.1 Å²	56.1	64%	0.642	31%	0.313	S	S	*	.	H	α-helix	trans	-74.4	-25.5	179.6	-66.8	-17.2	0	0	0	113.1	S397 E398 F399	S397-N401 PolarHBondContact O-N 2.91Å; S397-N401 VanDerWaalsContact O-N 3.1Å; S397-N401 PolarHBondContact O-ND2 2.73Å; S397-N401 PolarHBondContact O-OD1 2.71Å; E398-N401 PolarHBondContact O-N 3.33Å; E398-N401 VanDerWaalsContact O-N 3.16Å; F399-N401 VanDerWaalsContact C-N 3.26Å; F399-N401 PolarHBondContact O-N 2.78Å
402	Q	91.3	Very high	92.4	Very high	50 Å²	50	60 Å²	60	23%	0.234	32%	0.324	C	S	.	.	H	α-helix	trans	-98.2	-3.7	179.7	-65.2	-63.4	-53	0	0	113.4	Y370 E398 F399 G404 E405 N406 I407	Y370-Q402 HydrophobicContact CD2-CG 3.94Å; Y370-Q402 HydrophobicContact CE2-CG 3.82Å; E398-Q402 WeakPolarHBondContact O-CG 3.38Å; E398-Q402 PolarHBondContact O-N 2.92Å; F399-Q402 PolarHBondContact O-N 2.92Å; Q402-G404 PolarHBondContact O-N 3.43Å; Q402-E405 PolarHBondContact O-N 3.38Å; Q402-N406 PolarHBondContact O-N 2.82Å; Q402-N406 PolarHBondContact OE1-ND2 3.17Å; Q402-I407 HydrophobicContact CB-CB 4.5Å; Q402-I407 HydrophobicContact CB-CD1 3.68Å; Q402-I407 HydrophobicContact CB-CG1 3.93Å; Q402-I407 PolarHBondContact O-N 3.28Å
403	A	87.7	Confident	92.4	Very high	61 Å²	61	60 Å²	60	50%	0.504	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-63.3	129.7	-178	0	0	0	0	0	111.5	F399 E405	F399-A403 WeakPolarHBondContact O-CB 3.32Å; F399-A403 PolarHBondContact O-N 2.79Å; A403-E405 VanDerWaalsContact C-N 3.28Å; A403-E405 PolarHBondContact O-N 3.47Å
404	G	77	Confident	92.4	Very high	71 Å²	71	66.4 Å²	66.4	73%	0.732	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	-24.3	178.8	0	0	0	0	0	114.8	Q402 I407	Q402-G404 PolarHBondContact O-N 3.43Å; G404-I407 PolarHBondContact N-O 3.36Å
405	E	89	Confident	92.3	Very high	138 Å²	138	62.5 Å²	62.5	65%	0.645	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-61	175.3	-173.9	-178.3	-178	0	0	111.3	Q402 A403 H437	Q402-E405 PolarHBondContact O-N 3.38Å; A403-E405 VanDerWaalsContact C-N 3.28Å; A403-E405 PolarHBondContact O-N 3.47Å; E405-H437 PolarHBondContact O-CE1 2.82Å; E405-H437 PolarHBondContact O-NE2 3.35Å; E405-H437 VanDerWaalsContact O-NE2 3.12Å
406	N	92.7	Very high	92.4	Very high	19 Å²	19	62.5 Å²	62.5	10%	0.102	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-10.4	-176.4	-64.3	-51.8	0	0	0	113.7	H366 S367 Q369 Y370 Q402 H437	H366-N406 CarbonylContact C-O 3.44Å; H366-N406 WeakPolarHBondContact CA-O 3.48Å; H366-N406 WeakPolarHBondContact CB-O 3.05Å; S367-N406 PolarHBondContact N-O 2.85Å; S367-N406 WeakPolarHBondContact OG-CA 3.48Å; S367-N406 WeakPolarHBondContact OG-CB 3.46Å; S367-N406 PolarHBondContact OG-OD1 3.28Å; Q369-N406 WeakPolarHBondContact CB-OD1 3.24Å; Y370-N406 HydrophobicContact CG-CB 4.36Å; Q402-N406 PolarHBondContact O-N 2.82Å; Q402-N406 PolarHBondContact OE1-ND2 3.17Å; N406-H437 VanDerWaalsContact C-NE2 3.29Å; N406-H437 PolarHBondContact O-CD2 2.89Å; N406-H437 VanDerWaalsContact O-CD2 3.24Å
407	I	94.9	Very high	92.3	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.9	176.9	-67.6	177.6	0	0	0	109.7	A364 H366 Y370 F399 Q402 G404 V410 H437	A364-I407 HydrophobicContact CB-CD1 4.13Å; A364-I407 HydrophobicContact CB-CG1 4.17Å; A364-I407 HydrophobicContact CB-CG2 3.8Å; H366-I407 HydrophobicContact CB-CG1 4.21Å; Y370-I407 HydrophobicContact CD1-CD1 4Å; Y370-I407 HydrophobicContact CD1-CG1 3.86Å; Y370-I407 HydrophobicContact CE1-CD1 3.59Å; Y370-I407 HydrophobicContact CE1-CG1 3.99Å; F399-I407 HydrophobicContact CB-CD1 3.98Å; F399-I407 HydrophobicContact CD1-CD1 3.48Å; F399-I407 VanDerWaalsContact CD1-CD1 3.48Å; F399-I407 HydrophobicContact CE1-CD1 4.25Å; F399-I407 HydrophobicContact CG-CD1 3.92Å; Q402-I407 HydrophobicContact CB-CB 4.5Å; Q402-I407 HydrophobicContact CB-CD1 3.68Å; Q402-I407 HydrophobicContact CB-CG1 3.93Å; Q402-I407 PolarHBondContact O-N 3.28Å; G404-I407 PolarHBondContact N-O 3.36Å; I407-V410 HydrophobicContact CG2-CG2 4Å; I407-H437 PolarHBondContact N-NE2 3.36Å
408	L	94.3	Very high	92.2	Very high	65 Å²	65	61.8 Å²	61.8	34%	0.34	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-49.7	177.4	177.1	62.6	0	0	0	112.2	S365 A432 N434 H437	S365-L408 PolarHBondContact O-N 2.9Å; L408-A432 HydrophobicContact CD2-CB 4.19Å; L408-A432 WeakPolarHBondContact CD2-O 3.24Å; L408-N434 HydrophobicContact CD2-CB 4.25Å; L408-H437 HydrophobicContact CB-CB 3.54Å; L408-H437 HydrophobicContact CD2-CB 4.02Å; L408-H437 HydrophobicContact CG-CB 4.42Å; L408-H437 PolarHBondContact N-CD2 2.9Å
409	T	95.1	Very high	91.8	Very high	34 Å²	34	63.7 Å²	63.7	21%	0.209	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	128.5	178.5	-53	0	0	0	0	110.7	A364 S365 F431 A432	A364-T409 CarbonylContact C-O 3.58Å; A364-T409 WeakPolarHBondContact CA-O 3.07Å; S365-T409 PolarHBondContact N-O 3.41Å; S365-T409 WeakPolarHBondContact OG-CB 3.29Å; S365-T409 PolarHBondContact OG-N 3.45Å; S365-T409 PolarHBondContact OG-O 2.82Å; T409-F431 HydrophobicContact CG2-CB 3.95Å; T409-A432 WeakPolarHBondContact OG1-CB 3.46Å; T409-A432 PolarHBondContact OG1-N 3.43Å; T409-A432 VanDerWaalsContact OG1-N 3.11Å
410	V	95.8	Very high	91.5	Very high	70 Å²	70	64.1 Å²	64.1	42%	0.424	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.4	171.5	177.3	0	0	0	0	109.7	F399 I407	F399-V410 HydrophobicContact CB-CG2 4.02Å; F399-V410 HydrophobicContact CD2-CG1 3.73Å; F399-V410 HydrophobicContact CD2-CG2 4.19Å; F399-V410 HydrophobicContact CE2-CG1 4.3Å; F399-V410 HydrophobicContact CG-CG2 4.42Å; I407-V410 HydrophobicContact CG2-CG2 4Å
411	I	95	Very high	91.3	Very high	2 Å²	2	60 Å²	60	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.7	176.9	-64.7	165.2	0	0	0	107.9	L326 L362 G363 A429 F431 L440	L326-I411 HydrophobicContact CD2-CD1 4.24Å; L326-I411 HydrophobicContact CD2-CG2 3.72Å; L362-I411 CarbonylContact C-O 3.54Å; L362-I411 WeakPolarHBondContact CA-O 3.29Å; G363-I411 PolarHBondContact N-O 2.03Å; G363-I411 PolarHBondContact O-N 2.03Å; I411-A429 HydrophobicContact CG2-CB 3.85Å; I411-F431 HydrophobicContact CD1-CB 3.86Å; I411-F431 HydrophobicContact CD1-CD1 4.04Å; I411-F431 HydrophobicContact CD1-CG 3.9Å; I411-F431 HydrophobicContact CG1-CB 3.83Å; I411-F431 HydrophobicContact CG1-CG 4.4Å; I411-L440 HydrophobicContact CD1-CD1 3.2Å
412	R	94.2	Very high	90.9	Very high	136 Å²	136	58.1 Å²	58.1	51%	0.513	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	125.1	179.1	-173.4	-175.3	176	144.6	21.8	109.8	E360 I361 E396	E360-R412 WeakPolarHBondContact OE1-CD 3.35Å; E360-R412 WeakPolarHBondContact OE1-CG 3.49Å; E360-R412 IonicContact OE1-CZ 2.89Å; E360-R412 IonicContact OE1-NE 2.87Å; E360-R412 PolarHBondContact OE1-NE 3.41Å; E360-R412 IonicContact OE1-NH2 3.64Å; E360-R412 PolarHBondContact OE1-NH2 3.49Å; E360-R412 IonicContact OE2-NH2 2.94Å; E360-R412 PolarHBondContact OE2-NH2 2.82Å; I361-R412 WeakPolarHBondContact O-CA 3.31Å; E396-R412 IonicContact OE1-CZ 3.76Å; E396-R412 IonicContact OE1-NE 3.43Å; E396-R412 IonicContact OE1-NH1 3.04Å; E396-R412 PolarHBondContact OE1-NH1 2.97Å; E396-R412 IonicContact OE1-NH2 3.34Å; E396-R412 PolarHBondContact OE1-NH2 3.28Å; E396-R412 IonicContact OE2-NH1 3.19Å
413	T	93.9	Very high	90.5	Very high	14 Å²	14	63.7 Å²	63.7	9%	0.086	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.4	172.4	76	0	0	0	0	111	E360 I361 R427 A429	E360-T413 WeakPolarHBondContact CG-O 3.43Å; I361-T413 WeakPolarHBondContact CB-OG1 3.49Å; I361-T413 PolarHBondContact N-O 3.27Å; I361-T413 PolarHBondContact O-N 3.01Å; T413-R427 HydrophobicContact CG2-CB 4.27Å; T413-A429 HydrophobicContact CG2-CB 3.76Å
414	R	94.1	Very high	90.5	Very high	207 Å²	207	66.6 Å²	66.6	78%	0.781	35%	0.351	S	S	*	.			trans	-59.7	152.1	173	-63.2	-177.5	-177.6	174.4	0.5	110.8	R427	R414-R427 WeakPolarHBondContact O-CD 3.28Å; R414-R427 WeakPolarHBondContact O-CG 2.97Å; R414-R427 PolarHBondContact O-NE 2.82Å
415	G	93	Very high	91.3	Very high	22 Å²	22	64.2 Å²	64.2	23%	0.227	32%	0.32	C	S	.	.			trans	-57.6	166.1	172.5	0	0	0	0	0	114.3	W358 S359 R427	W358-G415 CarbonylContact O-C 3.43Å; W358-G415 WeakPolarHBondContact O-CA 3.36Å; S359-G415 VanDerWaalsContact O-CA 3.23Å; S359-G415 WeakPolarHBondContact O-CA 3.42Å; G415-R427 VanDerWaalsContact O-CZ 3.24Å; G415-R427 PolarHBondContact O-NE 2.75Å; G415-R427 VanDerWaalsContact O-NE 3.09Å; G415-R427 PolarHBondContact O-NH2 3.37Å
416	I	94.6	Very high	91.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.1	-177.6	-58.2	176.7	0	0	0	109.3	I328 H357 W358 I361 S418 R425 R427	I328-I416 HydrophobicContact CG2-CD1 4.22Å; H357-I416 CarbonylContact C-O 3.43Å; H357-I416 VanDerWaalsContact CA-O 3.3Å; H357-I416 WeakPolarHBondContact CA-O 2.77Å; H357-I416 WeakPolarHBondContact CB-O 3.35Å; W358-I416 HydrophobicContact CB-CB 4.14Å; W358-I416 HydrophobicContact CE3-CD1 4.01Å; W358-I416 HydrophobicContact CG-CB 4.34Å; W358-I416 HydrophobicContact CZ3-CD1 4.37Å; W358-I416 PolarHBondContact N-O 3.35Å; W358-I416 PolarHBondContact O-N 3.19Å; I361-I416 HydrophobicContact CD1-CD1 4.1Å; I361-I416 HydrophobicContact CD1-CG1 4.4Å; I416-S418 PolarHBondContact O-N 2.82Å; I416-R425 HydrophobicContact CG2-CB 4.21Å; I416-R425 HydrophobicContact CG2-CG 4.41Å; I416-R427 HydrophobicContact CD1-CB 4.47Å; I416-R427 HydrophobicContact CD1-CG 3.91Å; I416-R427 HydrophobicContact CG1-CG 3.58Å
417	D	92.1	Very high	91.6	Very high	68 Å²	68	63.7 Å²	63.7	36%	0.364	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	118.6	171.5	-179	-2.8	0	0	0	109.6	M419 A420 R425	D417-M419 PolarHBondContact O-N 3.41Å; D417-M419 WeakPolarHBondContact OD1-CB 2.77Å; D417-M419 PolarHBondContact OD1-N 3.39Å; D417-A420 HydrophobicContact CB-CB 4.05Å; D417-A420 WeakPolarHBondContact O-CB 3.43Å; D417-A420 PolarHBondContact O-N 3.25Å; D417-R425 WeakPolarHBondContact O-CG 3.38Å
418	S	90.3	Very high	91.6	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.014	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.3	-176.7	-59.3	0	0	0	0	112.7	W332 P356 I416	W332-S418 VanDerWaalsContact CE3-OG 3.25Å; W332-S418 WeakPolarHBondContact O-CB 2.93Å; P356-S418 VanDerWaalsContact O-CB 3.23Å; P356-S418 WeakPolarHBondContact O-CB 3.31Å; P356-S418 PolarHBondContact O-N 3.01Å; I416-S418 PolarHBondContact O-N 2.82Å
419	M	86	Confident	91.6	Very high	90 Å²	90	63.5 Å²	63.5	44%	0.443	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-7	174.9	-56.6	-76.5	68.8	0	0	113.1	W341 D417	W341-M419 HydrophobicContact CH2-CE 4.4Å; W341-M419 HydrophobicContact CZ2-CE 3.49Å; W341-M419 VanDerWaalsContact CZ2-CE 3.49Å; W341-M419 HydrophobicContact CZ2-SD 4.21Å; D417-M419 PolarHBondContact O-N 3.41Å; D417-M419 WeakPolarHBondContact OD1-CB 2.77Å; D417-M419 PolarHBondContact OD1-N 3.39Å
420	A	87.3	Confident	91.6	Very high	13 Å²	13	66.8 Å²	66.8	11%	0.107	33%	0.334	C	S	.	.	S	Bend	trans	-68.6	156.1	176.1	0	0	0	0	0	112.2	D417 Q424 R425	D417-A420 HydrophobicContact CB-CB 4.05Å; D417-A420 WeakPolarHBondContact O-CB 3.43Å; D417-A420 PolarHBondContact O-N 3.25Å; A420-Q424 HydrophobicContact CB-CB 4.06Å; A420-R425 HydrophobicContact CB-CG 4.2Å; A420-R425 VanDerWaalsContact O-CD 3.22Å; A420-R425 WeakPolarHBondContact O-CD 3.38Å; A420-R425 WeakPolarHBondContact O-CG 3.31Å; A420-R425 PolarHBondContact O-NE 2.02Å
421	P	87.4	Confident	91.7	Very high	73 Å²	73	63.5 Å²	63.5	47%	0.474	31%	0.314	S	S	.	.			trans	-53.9	150.6	172.6	-25.1	34.4	0	0	0	112.3	E423 Q424 R425	P421-E423 PolarHBondContact O-N 2.82Å; P421-Q424 PolarHBondContact O-N 2.85Å; P421-R425 PolarHBondContact O-N 2.75Å
422	P	82.4	Confident	91.7	Very high	81 Å²	81	64.2 Å²	64.2	53%	0.526	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-48	-38.3	-178.2	-24.7	29.5	0	0	0	114.6	Q424 R425	P422-Q424 PolarHBondContact O-N 3.09Å; P422-R425 PolarHBondContact O-N 3.34Å
423	E	84.3	Confident	91.7	Very high	168 Å²	168	57.8 Å²	57.8	79%	0.785	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-65.4	-18.3	179.6	-61.3	177.4	-170.6	0	0	114.2	P421 F426	P421-E423 PolarHBondContact O-N 2.82Å; E423-F426 VanDerWaalsContact O-CD1 3.23Å; E423-F426 WeakPolarHBondContact O-CD1 3.42Å; E423-F426 WeakPolarHBondContact O-CE1 2.99Å
424	Q	88.2	Confident	91.6	Very high	121 Å²	121	58.2 Å²	58.2	57%	0.565	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-105.8	-6.6	179.2	-63.6	-177.3	17.8	0	0	112.8	A420 P421 P422 F426 R427	A420-Q424 HydrophobicContact CB-CB 4.06Å; P421-Q424 PolarHBondContact O-N 2.85Å; P422-Q424 PolarHBondContact O-N 3.09Å; Q424-F426 PolarHBondContact O-N 3.23Å; Q424-F426 VanDerWaalsContact O-N 3.09Å; Q424-R427 PolarHBondContact O-NH1 2.93Å; Q424-R427 VanDerWaalsContact O-NH1 3.07Å
425	R	92.1	Very high	91.4	Very high	21 Å²	21	51.2 Å²	51.2	8%	0.079	28%	0.281	C	S	.	.	S	Bend	trans	-83.6	32.5	-177.7	-72.6	-168.8	-77.8	156.1	-8.9	113.7	Q329 S330 I416 D417 A420 P421 P422	Q329-R425 PolarHBondContact NE2-O 3.45Å; S330-R425 PolarHBondContact N-O 3.12Å; I416-R425 HydrophobicContact CG2-CB 4.21Å; I416-R425 HydrophobicContact CG2-CG 4.41Å; D417-R425 WeakPolarHBondContact O-CG 3.38Å; A420-R425 HydrophobicContact CB-CG 4.2Å; A420-R425 VanDerWaalsContact O-CD 3.22Å; A420-R425 WeakPolarHBondContact O-CD 3.38Å; A420-R425 WeakPolarHBondContact O-CG 3.31Å; A420-R425 PolarHBondContact O-NE 2.02Å; P421-R425 PolarHBondContact O-N 2.75Å; P422-R425 PolarHBondContact O-N 3.34Å
426	F	93.6	Very high	91.3	Very high	80 Å²	80	53 Å²	53	35%	0.351	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155	176.7	82.8	-89.3	0	0	0	112.8	I328 Q329 E423 Q424	I328-F426 CarbonylContact O-C 3.52Å; I328-F426 WeakPolarHBondContact O-CA 3.47Å; I328-F426 WeakPolarHBondContact O-CB 3.4Å; Q329-F426 VanDerWaalsContact OE1-CB 3.32Å; E423-F426 VanDerWaalsContact O-CD1 3.23Å; E423-F426 WeakPolarHBondContact O-CD1 3.42Å; E423-F426 WeakPolarHBondContact O-CE1 2.99Å; Q424-F426 PolarHBondContact O-N 3.23Å; Q424-F426 VanDerWaalsContact O-N 3.09Å
427	R	95.3	Very high	91.3	Very high	66 Å²	66	53.6 Å²	53.6	25%	0.249	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.7	170.7	-64.3	-67.9	175.4	-99.9	4	109.5	I327 I328 I361 T413 R414 G415 I416 Q424	I327-R427 WeakPolarHBondContact CA-O 3.45Å; I328-R427 PolarHBondContact N-O 2.82Å; I328-R427 PolarHBondContact O-N 2.64Å; I361-R427 HydrophobicContact CD1-CB 4.43Å; I361-R427 HydrophobicContact CD1-CG 4.41Å; T413-R427 HydrophobicContact CG2-CB 4.27Å; R414-R427 WeakPolarHBondContact O-CD 3.28Å; R414-R427 WeakPolarHBondContact O-CG 2.97Å; R414-R427 PolarHBondContact O-NE 2.82Å; G415-R427 VanDerWaalsContact O-CZ 3.24Å; G415-R427 PolarHBondContact O-NE 2.75Å; G415-R427 VanDerWaalsContact O-NE 3.09Å; G415-R427 PolarHBondContact O-NH2 3.37Å; I416-R427 HydrophobicContact CD1-CB 4.47Å; I416-R427 HydrophobicContact CD1-CG 3.91Å; I416-R427 HydrophobicContact CG1-CG 3.58Å; Q424-R427 PolarHBondContact O-NH1 2.93Å; Q424-R427 VanDerWaalsContact O-NH1 3.07Å
428	S	93.9	Very high	91.3	Very high	50 Å²	50	50.6 Å²	50.6	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.2	173.5	65.9	0	0	0	0	111.6	L326	L326-S428 CarbonylContact O-C 3.55Å; L326-S428 WeakPolarHBondContact O-CA 3.32Å; L326-S428 VanDerWaalsContact O-CB 3.29Å; L326-S428 WeakPolarHBondContact O-CB 3.42Å
429	A	95.3	Very high	91.3	Very high	15 Å²	15	50.5 Å²	50.5	12%	0.124	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	158	174.3	0	0	0	0	0	110.2	L326 I411 T413	L326-A429 PolarHBondContact N-O 3.34Å; L326-A429 PolarHBondContact O-N 3.37Å; I411-A429 HydrophobicContact CG2-CB 3.85Å; T413-A429 HydrophobicContact CG2-CB 3.76Å
430	L	95.7	Very high	91.7	Very high	103 Å²	103	46.2 Å²	46.2	54%	0.539	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.3	170.1	-58.3	-174.4	0	0	0	109.3	Y324 R325 L585	Y324-L430 WeakPolarHBondContact O-CA 3.04Å; R325-L430 HydrophobicContact CB-CD2 3.93Å; R325-L430 HydrophobicContact CG-CD2 4.01Å; L430-L585 HydrophobicContact CD1-CD1 4.42Å; L430-L585 HydrophobicContact CD2-CD1 3.42Å; L430-L585 VanDerWaalsContact CD2-CD1 3.42Å
431	F	96	Very high	92	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150	172.5	69.1	-81.7	0	0	0	111.1	I323 Y324 L326 T409 I411 V433 L440 I461 L582	I323-F431 WeakPolarHBondContact CA-O 3.31Å; Y324-F431 VanDerWaalsContact CB-CE1 3.42Å; Y324-F431 HydrophobicContact CD2-CE2 4.31Å; Y324-F431 HydrophobicContact CD2-CZ 4.32Å; Y324-F431 HydrophobicContact CG-CE1 4.4Å; Y324-F431 HydrophobicContact CG-CE2 4.35Å; Y324-F431 AromaticContact CG-CZ 3.92Å; Y324-F431 HydrophobicContact CG-CZ 3.92Å; Y324-F431 PolarHBondContact N-O 2.84Å; Y324-F431 PolarHBondContact O-N 3.26Å; L326-F431 HydrophobicContact CB-CD1 4.03Å; L326-F431 HydrophobicContact CB-CE1 3.9Å; T409-F431 HydrophobicContact CG2-CB 3.95Å; I411-F431 HydrophobicContact CD1-CB 3.86Å; I411-F431 HydrophobicContact CD1-CD1 4.04Å; I411-F431 HydrophobicContact CD1-CG 3.9Å; I411-F431 HydrophobicContact CG1-CB 3.83Å; I411-F431 HydrophobicContact CG1-CG 4.4Å; F431-V433 HydrophobicContact CD2-CG1 3.86Å; F431-V433 HydrophobicContact CE2-CG1 3.66Å; F431-L440 HydrophobicContact CD2-CD1 4.32Å; F431-L440 HydrophobicContact CE1-CD2 4.27Å; F431-L440 HydrophobicContact CE2-CD1 4.2Å; F431-L440 HydrophobicContact CE2-CD2 4.29Å; F431-L440 HydrophobicContact CZ-CD1 4.34Å; F431-L440 HydrophobicContact CZ-CD2 3.82Å; F431-I461 HydrophobicContact CE2-CD1 3.49Å; F431-I461 VanDerWaalsContact CE2-CD1 3.49Å; F431-I461 HydrophobicContact CZ-CD1 3.69Å; F431-L582 HydrophobicContact CE1-CD2 3.98Å; F431-L582 HydrophobicContact CZ-CD1 4.34Å; F431-L582 HydrophobicContact CZ-CD2 4.04Å
432	A	95.3	Very high	92.5	Very high	17 Å²	17	42.1 Å²	42.1	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.3	175.2	0	0	0	0	0	110.6	T321 A322 I323 S365 L408 T409	T321-A432 HydrophobicContact CG2-CB 3.76Å; A322-A432 CarbonylContact O-C 3.48Å; A322-A432 VanDerWaalsContact O-CA 3.29Å; A322-A432 WeakPolarHBondContact O-CA 3.21Å; I323-A432 HydrophobicContact CG1-CB 4.48Å; S365-A432 WeakPolarHBondContact CB-O 3.32Å; S365-A432 PolarHBondContact OG-O 3.48Å; L408-A432 HydrophobicContact CD2-CB 4.19Å; L408-A432 WeakPolarHBondContact CD2-O 3.24Å; T409-A432 WeakPolarHBondContact OG1-CB 3.46Å; T409-A432 PolarHBondContact OG1-N 3.43Å; T409-A432 VanDerWaalsContact OG1-N 3.11Å
433	V	94	Very high	93.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.7	171.5	-66.7	0	0	0	0	109.4	T321 A322 Y324 F431 I461 W468	T321-V433 CarbonylContact C-O 3.55Å; T321-V433 WeakPolarHBondContact CA-O 3.47Å; A322-V433 HydrophobicContact CB-CG2 3.95Å; A322-V433 PolarHBondContact N-O 3.47Å; A322-V433 PolarHBondContact O-N 2.03Å; Y324-V433 HydrophobicContact CD2-CG2 3.9Å; Y324-V433 HydrophobicContact CE2-CG2 3.65Å; F431-V433 HydrophobicContact CD2-CG1 3.86Å; F431-V433 HydrophobicContact CE2-CG1 3.66Å; V433-I461 HydrophobicContact CG1-CD1 4.16Å; V433-I461 HydrophobicContact CG2-CG2 4.1Å; V433-W468 HydrophobicContact CB-CH2 4.26Å; V433-W468 HydrophobicContact CB-CZ3 4.09Å; V433-W468 HydrophobicContact CG2-CD2 4.35Å; V433-W468 HydrophobicContact CG2-CE3 3.73Å; V433-W468 HydrophobicContact CG2-CH2 3.95Å; V433-W468 HydrophobicContact CG2-CZ3 3.52Å
434	N	92.3	Very high	93.7	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	16%	0.164	C	C	.	.			trans	-137.8	-178.6	173.6	66.4	7.7	0	0	0	109.4	L408 S436 H437 H438 W468	L408-N434 HydrophobicContact CD2-CB 4.25Å; N434-S436 PolarHBondContact O-N 2.73Å; N434-S436 PolarHBondContact OD1-N 2.9Å; N434-S436 PolarHBondContact OD1-OG 3.07Å; N434-H437 CarbonylContact O-C 3.6Å; N434-H437 PolarHBondContact O-N 3.1Å; N434-H437 WeakPolarHBondContact OD1-CB 3.31Å; N434-H437 PolarHBondContact OD1-N 2.87Å; N434-H437 PolarHBondContact OD1-ND1 3.26Å; N434-H438 WeakPolarHBondContact O-CB 3.49Å; N434-H438 PolarHBondContact O-N 2.8Å; N434-W468 WeakPolarHBondContact O-CH2 3.38Å
435	S	91	Very high	94.1	Very high	61 Å²	61	25.7 Å²	25.7	43%	0.427	14%	0.142	S	C	.	.	S	Bend	trans	-56.8	-31.8	-178.7	52.8	0	0	0	0	114.1	C316 A318 H438	C316-S435 WeakPolarHBondContact CB-O 3.36Å; C316-S435 WeakPolarHBondContact O-CB 3.35Å; A318-S435 WeakPolarHBondContact O-CB 3.48Å; S435-H438 PolarHBondContact O-CD2 3.03Å; S435-H438 VanDerWaalsContact O-CD2 3.29Å
436	S	90.9	Very high	94.2	Very high	58 Å²	58	24.7 Å²	24.7	41%	0.406	14%	0.138	S	C	.	.	S	Bend	trans	-86.7	-31	179.1	53.5	0	0	0	0	113.6	S367 N434	S367-S436 VanDerWaalsContact CA-O 3.31Å; S367-S436 WeakPolarHBondContact CA-O 3.1Å; S367-S436 WeakPolarHBondContact CB-O 3.23Å; N434-S436 PolarHBondContact O-N 2.73Å; N434-S436 PolarHBondContact OD1-N 2.9Å; N434-S436 PolarHBondContact OD1-OG 3.07Å
437	H	93.9	Very high	94.2	Very high	14 Å²	14	21 Å²	21	7%	0.065	12%	0.122	C	C	.	.	S	Bend	trans	-120.8	57.5	-175.1	-59.5	75.6	0	0	0	111.3	H366 E405 N406 I407 L408 N434	H366-H437 CarbonylContact O-C 3.55Å; H366-H437 WeakPolarHBondContact O-CA 3.42Å; E405-H437 PolarHBondContact O-CE1 2.82Å; E405-H437 PolarHBondContact O-NE2 3.35Å; E405-H437 VanDerWaalsContact O-NE2 3.12Å; N406-H437 VanDerWaalsContact C-NE2 3.29Å; N406-H437 PolarHBondContact O-CD2 2.89Å; N406-H437 VanDerWaalsContact O-CD2 3.24Å; I407-H437 PolarHBondContact N-NE2 3.36Å; L408-H437 HydrophobicContact CB-CB 3.54Å; L408-H437 HydrophobicContact CD2-CB 4.02Å; L408-H437 HydrophobicContact CG-CB 4.42Å; L408-H437 PolarHBondContact N-CD2 2.9Å; N434-H437 CarbonylContact O-C 3.6Å; N434-H437 PolarHBondContact O-N 3.1Å; N434-H437 WeakPolarHBondContact OD1-CB 3.31Å; N434-H437 PolarHBondContact OD1-N 2.87Å; N434-H437 PolarHBondContact OD1-ND1 3.26Å
438	H	91.6	Very high	94	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.019	12%	0.118	C	C	.	.			trans	-93.5	1.4	-174.7	64.3	99.4	0	0	0	113.8	V313 C316 N434 S435 D460 I461 C462 W468	V313-H438 WeakPolarHBondContact CG1-CE1 3.37Å; C316-H438 HydrophobicContact CB-CB 4.12Å; N434-H438 WeakPolarHBondContact O-CB 3.49Å; N434-H438 PolarHBondContact O-N 2.8Å; S435-H438 PolarHBondContact O-CD2 3.03Å; S435-H438 VanDerWaalsContact O-CD2 3.29Å; H438-D460 IonicContact CE1-OD1 3.05Å; H438-D460 PolarHBondContact CE1-OD1 3.24Å; H438-D460 IonicContact CG-OD1 3.71Å; H438-D460 IonicContact ND1-OD1 2.84Å; H438-D460 PolarHBondContact ND1-OD1 2.76Å; H438-I461 PolarHBondContact O-N 2.84Å; H438-C462 HydrophobicContact CB-CB 4.12Å; H438-W468 HydrophobicContact CB-CH2 4.23Å; H438-W468 HydrophobicContact CB-CZ3 4.2Å
439	L	91.5	Very high	93.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.3	176.6	-57.8	-178.1	0	0	0	111.2	V313 S365 H366 P368 V459 D460	V313-L439 HydrophobicContact CG1-CD1 4.26Å; V313-L439 HydrophobicContact CG1-CD2 3.84Å; V313-L439 HydrophobicContact CG1-CG 4.36Å; V313-L439 HydrophobicContact CG2-CD1 4.08Å; V313-L439 HydrophobicContact CG2-CD2 4.4Å; S365-L439 CarbonylContact C-O 3.6Å; S365-L439 WeakPolarHBondContact CA-O 3.47Å; H366-L439 PolarHBondContact N-O 3.47Å; H366-L439 WeakPolarHBondContact O-CB 3.04Å; H366-L439 PolarHBondContact O-N 2.72Å; H366-L439 VanDerWaalsContact O-N 3.16Å; P368-L439 HydrophobicContact CB-CD1 4.26Å; P368-L439 HydrophobicContact CG-CD1 4.24Å; L439-V459 CarbonylContact C-O 3.57Å; L439-V459 VanDerWaalsContact CA-O 3.3Å; L439-V459 WeakPolarHBondContact CA-O 3.23Å; L439-D460 HydrophobicContact CD2-CB 3.94Å
440	L	93.6	Very high	93.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.1	173.5	172.1	70	0	0	0	110.6	I411 F431 R458 V459 I461 L582	I411-L440 HydrophobicContact CD1-CD1 3.2Å; F431-L440 HydrophobicContact CD2-CD1 4.32Å; F431-L440 HydrophobicContact CE1-CD2 4.27Å; F431-L440 HydrophobicContact CE2-CD1 4.2Å; F431-L440 HydrophobicContact CE2-CD2 4.29Å; F431-L440 HydrophobicContact CZ-CD1 4.34Å; F431-L440 HydrophobicContact CZ-CD2 3.82Å; L440-R458 PolarHBondContact O-N 3.42Å; L440-V459 HydrophobicContact CB-CB 4.35Å; L440-V459 PolarHBondContact N-O 3.5Å; L440-V459 PolarHBondContact O-N 2.79Å; L440-I461 HydrophobicContact CB-CD1 3.52Å; L440-I461 HydrophobicContact CB-CG1 4.39Å; L440-I461 HydrophobicContact CD2-CD1 3.95Å; L440-I461 HydrophobicContact CG-CD1 4.33Å; L440-L582 HydrophobicContact CD2-CD1 3.84Å; L440-L582 HydrophobicContact CD2-CD2 3.7Å; L440-L582 HydrophobicContact CD2-CG 4.45Å
441	S	94.5	Very high	93.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.5	171	-60.4	0	0	0	0	111	G363 A364 H366 L456 R458	G363-S441 CarbonylContact C-O 3.56Å; G363-S441 WeakPolarHBondContact CA-O 3.21Å; A364-S441 PolarHBondContact N-O 3.37Å; A364-S441 PolarHBondContact O-N 2.04Å; A364-S441 VanDerWaalsContact O-N 3.1Å; H366-S441 WeakPolarHBondContact NE2-CB 3.11Å; H366-S441 PolarHBondContact NE2-OG 3.43Å; S441-L456 CarbonylContact C-O 3.51Å; S441-L456 WeakPolarHBondContact CA-O 3.37Å; S441-R458 PolarHBondContact OG-N 2.87Å
442	F	96.1	Very high	93.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.7	170.7	77.7	-96.5	0	0	0	111.1	L326 I328 I361 L362 F373 G455 L456 L476 V580	L326-F442 HydrophobicContact CD1-CE1 4.46Å; I328-F442 HydrophobicContact CD1-CD2 4.27Å; I328-F442 HydrophobicContact CD1-CE1 4.34Å; I328-F442 HydrophobicContact CD1-CE2 3.77Å; I328-F442 HydrophobicContact CD1-CZ 3.78Å; I328-F442 HydrophobicContact CG1-CZ 4.18Å; I361-F442 HydrophobicContact CG2-CD2 3.46Å; I361-F442 VanDerWaalsContact CG2-CD2 3.46Å; I361-F442 HydrophobicContact CG2-CE2 3.97Å; I361-F442 HydrophobicContact CG2-CG 4.26Å; L362-F442 CarbonylContact O-C 3.42Å; L362-F442 WeakPolarHBondContact O-CA 3.5Å; L362-F442 WeakPolarHBondContact O-CB 3.48Å; F373-F442 WeakPolarHBondContact CE1-O 3.47Å; F442-G455 CarbonylContact O-C 3.54Å; F442-G455 WeakPolarHBondContact O-CA 3.12Å; F442-L456 HydrophobicContact CD1-CB 4.06Å; F442-L456 HydrophobicContact CD1-CG 4.3Å; F442-L456 HydrophobicContact CE1-CB 3.88Å; F442-L456 HydrophobicContact CE1-CD1 3.76Å; F442-L456 HydrophobicContact CE1-CG 3.61Å; F442-L456 HydrophobicContact CZ-CG 4.18Å; F442-L456 PolarHBondContact N-O 2.85Å; F442-L456 PolarHBondContact O-N 2.82Å; F442-L476 HydrophobicContact CE2-CD2 4.44Å; F442-L476 HydrophobicContact CZ-CD2 3.9Å; F442-V580 HydrophobicContact CE1-CG1 4.22Å; F442-V580 HydrophobicContact CE1-CG2 3.88Å; F442-V580 HydrophobicContact CZ-CG2 3.57Å
443	L	95.6	Very high	93.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.1	-178.9	-157.2	69.1	0	0	0	111.1	L362 F373 V383 L386 C387 C453 T454	L362-L443 PolarHBondContact N-O 3.02Å; L362-L443 VanDerWaalsContact N-O 3.09Å; L362-L443 PolarHBondContact O-N 3.13Å; F373-L443 HydrophobicContact CD1-CD1 4.02Å; F373-L443 HydrophobicContact CD2-CD1 4.29Å; F373-L443 HydrophobicContact CE1-CB 4.29Å; F373-L443 HydrophobicContact CE1-CD1 3.65Å; F373-L443 HydrophobicContact CE1-CG 4.48Å; F373-L443 HydrophobicContact CE2-CD1 3.93Å; F373-L443 HydrophobicContact CG-CD1 4.33Å; F373-L443 HydrophobicContact CZ-CD1 3.59Å; V383-L443 HydrophobicContact CG1-CD2 3.81Å; L386-L443 HydrophobicContact CD2-CB 4.08Å; L386-L443 HydrophobicContact CD2-CD2 4.15Å; L386-L443 HydrophobicContact CD2-CG 4.38Å; C387-L443 WeakPolarHBondContact SG-CD2 3.39Å; L443-C453 HydrophobicContact CD1-CB 3.7Å; L443-C453 HydrophobicContact CD2-CB 4.06Å; L443-C453 HydrophobicContact CG-CB 3.75Å; L443-T454 CarbonylContact C-O 3.4Å; L443-T454 WeakPolarHBondContact CA-O 3.34Å
444	S	96.7	Very high	93.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	139.4	173.3	177.5	0	0	0	0	109.4	S359 C453 T454	S359-S444 PolarHBondContact O-OG 3.04Å; S444-C453 CarbonylContact O-C 3.46Å; S444-C453 VanDerWaalsContact O-CA 3.23Å; S444-C453 WeakPolarHBondContact O-CA 3.14Å; S444-T454 PolarHBondContact N-O 3.29Å; S444-T454 PolarHBondContact O-N 3.33Å
445	R	96.4	Very high	93.6	Very high	25 Å²	25	10.2 Å²	10.2	9%	0.094	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	138.6	178.2	177.5	176	156	85.1	-4.6	110.6	W358 S359 L386 C387 T388 S390 V447 S449 P450	W358-R445 WeakPolarHBondContact CA-O 3.49Å; S359-R445 PolarHBondContact N-O 3.39Å; S359-R445 WeakPolarHBondContact OG-CB 2.98Å; S359-R445 PolarHBondContact OG-N 2.78Å; L386-R445 WeakPolarHBondContact O-CB 3.47Å; L386-R445 WeakPolarHBondContact O-CD 3.38Å; C387-R445 WeakPolarHBondContact O-CD 3.26Å; C387-R445 PolarHBondContact O-NH1 3.26Å; T388-R445 PolarHBondContact O-NH1 3.34Å; T388-R445 PolarHBondContact O-NH2 3.46Å; T388-R445 VanDerWaalsContact O-NH2 3.13Å; S390-R445 WeakPolarHBondContact OG-CD 3.25Å; R445-V447 HydrophobicContact CB-CG2 4.39Å; R445-V447 HydrophobicContact CG-CG2 3.95Å; R445-S449 VanDerWaalsContact CZ-O 3.24Å; R445-S449 PolarHBondContact NH1-O 3.48Å; R445-S449 PolarHBondContact NH1-OG 2.87Å; R445-S449 PolarHBondContact NH2-O 2.97Å; R445-P450 PolarHBondContact NH1-O 2.71Å
446	I	94.5	Very high	93.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.1	168.8	-59.8	174.8	0	0	0	106.9	W332 P448 S449 W452 T454 P478 Y489 F517 L577	W332-I446 HydrophobicContact CD2-CG2 4.36Å; W332-I446 HydrophobicContact CE3-CG2 4.21Å; W332-I446 HydrophobicContact CH2-CG2 3.38Å; W332-I446 HydrophobicContact CZ2-CG2 3.56Å; W332-I446 HydrophobicContact CZ3-CG2 3.73Å; I446-P448 CarbonylContact O-C 3.52Å; I446-S449 WeakPolarHBondContact O-CB 3.34Å; I446-S449 PolarHBondContact O-N 3.29Å; I446-S449 PolarHBondContact O-OG 3.23Å; I446-W452 HydrophobicContact CD1-CB 4.5Å; I446-W452 PolarHBondContact N-O 3.11Å; I446-T454 HydrophobicContact CG1-CG2 4.32Å; I446-P478 HydrophobicContact CD1-CB 3.92Å; I446-Y489 HydrophobicContact CG2-CD1 4.39Å; I446-Y489 HydrophobicContact CG2-CE1 4.12Å; I446-F517 HydrophobicContact CD1-CE1 4.17Å; I446-F517 HydrophobicContact CD1-CZ 3.9Å; I446-L577 HydrophobicContact CD1-CD1 3.83Å
447	V	93.3	Very high	93.5	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.024	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.1	-174.3	-172.6	0	0	0	0	110.3	W332 E354 P356 H357 R445	W332-V447 WeakPolarHBondContact CH2-O 3.22Å; E354-V447 VanDerWaalsContact OE2-CG1 3.24Å; E354-V447 WeakPolarHBondContact OE2-CG1 3.14Å; P356-V447 WeakPolarHBondContact CA-O 3.44Å; H357-V447 WeakPolarHBondContact CE1-CG1 3.33Å; H357-V447 PolarHBondContact N-O 2.88Å; H357-V447 WeakPolarHBondContact O-CA 3.2Å; H357-V447 WeakPolarHBondContact O-CB 3.48Å; H357-V447 PolarHBondContact O-N 3.26Å; R445-V447 HydrophobicContact CB-CG2 4.39Å; R445-V447 HydrophobicContact CG-CG2 3.95Å
448	P	92.2	Very high	93.2	Very high	26 Å²	26	7.9 Å²	7.9	17%	0.169	4%	0.041	C	C	.	.	S	Bend	cis	-77.3	149.2	-7.6	31.6	-33.8	0	0	0	112.8	P342 I446 Y489 I490	P342-P448 HydrophobicContact CB-CG 3.64Å; P342-P448 HydrophobicContact CG-CG 3.9Å; I446-P448 CarbonylContact O-C 3.52Å; P448-Y489 CarbonylContact C-O 3.53Å; P448-Y489 WeakPolarHBondContact O-CB 3.33Å; P448-Y489 WeakPolarHBondContact O-CD1 2.98Å; P448-I490 HydrophobicContact CB-CG1 3.99Å; P448-I490 HydrophobicContact CG-CD1 3.83Å; P448-I490 HydrophobicContact CG-CG1 3.5Å; P448-I490 VanDerWaalsContact CG-CG1 3.5Å
449	S	92.4	Very high	92.9	Very high	8 Å²	8	8.5 Å²	8.5	6%	0.056	5%	0.045	C	C	.	.			trans	-159.5	165.4	167.1	67.2	0	0	0	0	110.4	R445 I446 W452 Y489	R445-S449 VanDerWaalsContact CZ-O 3.24Å; R445-S449 PolarHBondContact NH1-O 3.48Å; R445-S449 PolarHBondContact NH1-OG 2.87Å; R445-S449 PolarHBondContact NH2-O 2.97Å; I446-S449 WeakPolarHBondContact O-CB 3.34Å; I446-S449 PolarHBondContact O-N 3.29Å; I446-S449 PolarHBondContact O-OG 3.23Å; S449-W452 WeakPolarHBondContact OG-CB 3.5Å; S449-W452 PolarHBondContact OG-N 2.8Å; S449-W452 VanDerWaalsContact OG-N 3.11Å; S449-W452 PolarHBondContact OG-O 2.84Å; S449-Y489 WeakPolarHBondContact CA-O 3.26Å; S449-Y489 PolarHBondContact N-O 2.96Å
450	P	91.5	Very high	92.7	Very high	7 Å²	7	10.5 Å²	10.5	5%	0.045	6%	0.056	C	C	.	.	S	Bend	trans	-62.5	-64.6	172.6	-20.4	32.9	0	0	0	110.6	R445 W452 M484 T488 P491	R445-P450 PolarHBondContact NH1-O 2.71Å; P450-W452 HydrophobicContact CG-CZ2 4.5Å; P450-M484 HydrophobicContact CB-CB 4.06Å; P450-T488 WeakPolarHBondContact CD-O 3.4Å; P450-P491 HydrophobicContact CG-CG 3.9Å
451	D	94	Very high	92.4	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.056	C	C	.	.	S	Bend	trans	-148.6	32.3	-176.3	62.7	-14.2	0	0	0	112.3	C387 T388 A481 G482 V483 M484	C387-D451 CarbonylContact O-C 3.31Å; C387-D451 WeakPolarHBondContact O-CA 3.46Å; T388-D451 HydrophobicContact CG2-CB 4.06Å; D451-A481 HydrophobicContact CB-CB 4.19Å; D451-A481 VanDerWaalsContact O-CB 3.32Å; D451-A481 WeakPolarHBondContact O-CB 3.34Å; D451-A481 PolarHBondContact O-N 3.14Å; D451-G482 PolarHBondContact OD2-N 3.02Å; D451-V483 HydrophobicContact CB-CG2 3.58Å; D451-V483 WeakPolarHBondContact OD2-CG2 3.38Å; D451-V483 PolarHBondContact OD2-N 3.26Å; D451-M484 HydrophobicContact CB-CB 3.88Å; D451-M484 HydrophobicContact CB-CG 3.95Å; D451-M484 PolarHBondContact OD2-N 3.01Å
452	W	93.6	Very high	91.9	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.008	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.9	-172.4	-54.4	-17.3	0	0	0	112.3	I446 S449 P450 W479 T488 Y489 I507 T515 P516 F517	I446-W452 HydrophobicContact CD1-CB 4.5Å; I446-W452 PolarHBondContact N-O 3.11Å; S449-W452 WeakPolarHBondContact OG-CB 3.5Å; S449-W452 PolarHBondContact OG-N 2.8Å; S449-W452 VanDerWaalsContact OG-N 3.11Å; S449-W452 PolarHBondContact OG-O 2.84Å; P450-W452 HydrophobicContact CG-CZ2 4.5Å; W452-W479 CarbonylContact C-O 3.55Å; W452-W479 VanDerWaalsContact CA-O 3.25Å; W452-W479 WeakPolarHBondContact CA-O 3.32Å; W452-T488 VanDerWaalsContact CH2-C 3.4Å; W452-T488 VanDerWaalsContact CH2-CA 3.48Å; W452-Y489 HydrophobicContact CE3-CD1 4.04Å; W452-Y489 HydrophobicContact CE3-CE1 4.22Å; W452-Y489 AromaticContact CZ3-CD1 3.7Å; W452-Y489 HydrophobicContact CZ3-CD1 3.7Å; W452-Y489 AromaticContact CZ3-CE1 3.93Å; W452-Y489 HydrophobicContact CZ3-CE1 3.93Å; W452-Y489 HydrophobicContact CZ3-CG 4.28Å; W452-I507 HydrophobicContact CD2-CD1 3.97Å; W452-I507 HydrophobicContact CG-CD1 3.88Å; W452-T515 HydrophobicContact CZ2-CG2 4.35Å; W452-P516 VanDerWaalsContact CH2-CD 3.47Å; W452-P516 HydrophobicContact CH2-CG 4.03Å; W452-P516 HydrophobicContact CZ3-CG 4.09Å; W452-F517 HydrophobicContact CD2-CE2 4Å; W452-F517 HydrophobicContact CD2-CZ 4.39Å; W452-F517 AromaticContact CE3-CE2 3.38Å; W452-F517 HydrophobicContact CE3-CE2 3.38Å; W452-F517 AromaticContact CE3-CZ 3.53Å; W452-F517 HydrophobicContact CE3-CZ 3.53Å; W452-F517 HydrophobicContact CH2-CE2 4.1Å; W452-F517 HydrophobicContact CZ3-CD2 4.41Å; W452-F517 AromaticContact CZ3-CE2 3.44Å; W452-F517 HydrophobicContact CZ3-CE2 3.44Å; W452-F517 VanDerWaalsContact CZ3-CE2 3.44Å; W452-F517 AromaticContact CZ3-CZ 3.78Å; W452-F517 HydrophobicContact CZ3-CZ 3.78Å
453	C	95.4	Very high	91	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	166.7	177.7	-85.1	0	0	0	0	111.4	C387 L443 S444 P478 W479	C387-C453 WeakPolarHBondContact CA-SG 3.05Å; C387-C453 HydrophobicContact CB-CB 4.26Å; C387-C453 WeakPolarHBondContact CB-SG 3.04Å; C387-C453 WeakPolarHBondContact SG-CB 3.33Å; C387-C453 CovalentContact SG-SG 2.04Å; C387-C453 PolarHBondContact SG-SG 3.06Å; L443-C453 HydrophobicContact CD1-CB 3.7Å; L443-C453 HydrophobicContact CD2-CB 4.06Å; L443-C453 HydrophobicContact CG-CB 3.75Å; S444-C453 CarbonylContact O-C 3.46Å; S444-C453 VanDerWaalsContact O-CA 3.23Å; S444-C453 WeakPolarHBondContact O-CA 3.14Å; C453-P478 CarbonylContact O-C 3.45Å; C453-P478 WeakPolarHBondContact O-CA 3.37Å; C453-W479 PolarHBondContact N-O 2.96Å; C453-W479 PolarHBondContact O-N 2.89Å
454	T	94.6	Very high	89.9	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.9	171.6	-173.4	0	0	0	0	109	W358 L443 S444 I446 E477	W358-T454 HydrophobicContact CD2-CG2 4.21Å; W358-T454 HydrophobicContact CE3-CG2 4Å; W358-T454 HydrophobicContact CH2-CG2 4.18Å; W358-T454 HydrophobicContact CZ2-CG2 4.34Å; W358-T454 HydrophobicContact CZ3-CG2 3.98Å; L443-T454 CarbonylContact C-O 3.4Å; L443-T454 WeakPolarHBondContact CA-O 3.34Å; S444-T454 PolarHBondContact N-O 3.29Å; S444-T454 PolarHBondContact O-N 3.33Å; I446-T454 HydrophobicContact CG1-CG2 4.32Å; T454-E477 PolarHBondContact OG1-O 3.3Å
455	G	92.6	Very high	88.8	Confident	4 Å²	4	26.1 Å²	26.1	4%	0.041	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-179	-174.6	0	0	0	0	0	115	F442	F442-G455 CarbonylContact O-C 3.54Å; F442-G455 WeakPolarHBondContact O-CA 3.12Å
456	L	91.6	Very high	88.1	Confident	14 Å²	14	27.9 Å²	27.9	7%	0.073	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141	171.6	-63.4	-177.9	0	0	0	109.4	F373 S441 F442 V459 F474 L476 V580	F373-L456 VanDerWaalsContact CE1-O 3.29Å; F373-L456 WeakPolarHBondContact CE1-O 3.11Å; F373-L456 WeakPolarHBondContact CZ-O 3.38Å; S441-L456 CarbonylContact C-O 3.51Å; S441-L456 WeakPolarHBondContact CA-O 3.37Å; F442-L456 HydrophobicContact CD1-CB 4.06Å; F442-L456 HydrophobicContact CD1-CG 4.3Å; F442-L456 HydrophobicContact CE1-CB 3.88Å; F442-L456 HydrophobicContact CE1-CD1 3.76Å; F442-L456 HydrophobicContact CE1-CG 3.61Å; F442-L456 HydrophobicContact CZ-CG 4.18Å; F442-L456 PolarHBondContact N-O 2.85Å; F442-L456 PolarHBondContact O-N 2.82Å; L456-V459 HydrophobicContact CB-CG2 3.95Å; L456-V459 HydrophobicContact CD1-CG2 4.17Å; L456-V459 HydrophobicContact CG-CG2 4.49Å; L456-F474 HydrophobicContact CD1-CB 4Å; L456-F474 HydrophobicContact CD1-CD2 3.72Å; L456-F474 HydrophobicContact CD1-CE2 4.39Å; L456-F474 HydrophobicContact CD1-CG 3.89Å; L456-F474 HydrophobicContact CD2-CB 3.81Å; L456-F474 HydrophobicContact CD2-CG 4.2Å; L456-L476 HydrophobicContact CD2-CD2 4.18Å; L456-L476 HydrophobicContact CG-CD2 4.28Å; L456-V580 HydrophobicContact CD1-CB 4.01Å; L456-V580 HydrophobicContact CD1-CG1 3.86Å; L456-V580 HydrophobicContact CD1-CG2 4.07Å; L456-V580 HydrophobicContact CG-CG2 4.35Å
457	S	88.2	Confident	87.3	Confident	19 Å²	19	29.6 Å²	29.6	13%	0.133	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.3	178.5	161.1	0	0	0	0	109.5	F373 V459	F373-S457 WeakPolarHBondContact O-CB 3.33Å; F373-S457 PolarHBondContact O-OG 2.74Å; S457-V459 PolarHBondContact O-N 3.36Å
458	R	86.2	Confident	86.8	Confident	51 Å²	51	30.1 Å²	30.1	19%	0.192	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.5	46.5	170.7	-56.1	178.4	72.3	121.6	10.5	114	P368 D371 L440 S441 D460	P368-R458 PolarHBondContact O-NH2 3.32Å; P368-R458 VanDerWaalsContact O-NH2 3.08Å; D371-R458 VanDerWaalsContact CG-NH1 3.33Å; D371-R458 IonicContact OD2-CZ 2.88Å; D371-R458 IonicContact OD2-NH1 3.15Å; D371-R458 PolarHBondContact OD2-NH1 2.74Å; L440-R458 PolarHBondContact O-N 3.42Å; S441-R458 PolarHBondContact OG-N 2.87Å; R458-D460 PolarHBondContact O-N 2.67Å
459	V	86.6	Confident	86.3	Confident	17 Å²	17	29.5 Å²	29.5	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115	176.3	173.7	0	0	0	0	109.6	L439 L440 L456 S457 I461 M472 F474	L439-V459 CarbonylContact C-O 3.57Å; L439-V459 VanDerWaalsContact CA-O 3.3Å; L439-V459 WeakPolarHBondContact CA-O 3.23Å; L440-V459 HydrophobicContact CB-CB 4.35Å; L440-V459 PolarHBondContact N-O 3.5Å; L440-V459 PolarHBondContact O-N 2.79Å; L456-V459 HydrophobicContact CB-CG2 3.95Å; L456-V459 HydrophobicContact CD1-CG2 4.17Å; L456-V459 HydrophobicContact CG-CG2 4.49Å; S457-V459 PolarHBondContact O-N 3.36Å; V459-I461 HydrophobicContact CG1-CG1 4.26Å; V459-I461 PolarHBondContact O-N 2.92Å; V459-M472 HydrophobicContact CG1-CE 4.42Å; V459-F474 HydrophobicContact CB-CZ 4.47Å; V459-F474 HydrophobicContact CG1-CE1 3.97Å; V459-F474 HydrophobicContact CG1-CE2 3.88Å; V459-F474 HydrophobicContact CG1-CZ 3.31Å; V459-F474 HydrophobicContact CG2-CE1 4.3Å; V459-F474 HydrophobicContact CG2-CZ 4.3Å
460	D	87.8	Confident	85.7	Confident	43 Å²	43	33.1 Å²	33.1	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.2	175.4	-179.7	14.8	0	0	0	111	R314 H438 L439 R458 C462	R314-D460 IonicContact CZ-OD2 3.43Å; R314-D460 IonicContact NE-OD2 2.81Å; R314-D460 PolarHBondContact NE-OD2 3.06Å; R314-D460 IonicContact NH2-OD2 3.36Å; R314-D460 PolarHBondContact NH2-OD2 3.42Å; H438-D460 IonicContact CE1-OD1 3.05Å; H438-D460 PolarHBondContact CE1-OD1 3.24Å; H438-D460 IonicContact CG-OD1 3.71Å; H438-D460 IonicContact ND1-OD1 2.84Å; H438-D460 PolarHBondContact ND1-OD1 2.76Å; L439-D460 HydrophobicContact CD2-CB 3.94Å; R458-D460 PolarHBondContact O-N 2.67Å; D460-C462 WeakPolarHBondContact OD1-CB 3.32Å; D460-C462 PolarHBondContact OD1-N 2.76Å
461	I	86.6	Confident	85.1	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-96.1	0.7	-179.9	-58.7	173.9	0	0	0	111	Y324 F431 V433 H438 L440 V459 W468 P469 M472 L582	Y324-I461 HydrophobicContact CD2-CG2 4.25Å; Y324-I461 HydrophobicContact CE1-CG2 4.24Å; Y324-I461 HydrophobicContact CE2-CG2 3.54Å; F431-I461 HydrophobicContact CE2-CD1 3.49Å; F431-I461 VanDerWaalsContact CE2-CD1 3.49Å; F431-I461 HydrophobicContact CZ-CD1 3.69Å; V433-I461 HydrophobicContact CG1-CD1 4.16Å; V433-I461 HydrophobicContact CG2-CG2 4.1Å; H438-I461 PolarHBondContact O-N 2.84Å; L440-I461 HydrophobicContact CB-CD1 3.52Å; L440-I461 HydrophobicContact CB-CG1 4.39Å; L440-I461 HydrophobicContact CD2-CD1 3.95Å; L440-I461 HydrophobicContact CG-CD1 4.33Å; V459-I461 HydrophobicContact CG1-CG1 4.26Å; V459-I461 PolarHBondContact O-N 2.92Å; I461-W468 HydrophobicContact CG2-CE3 4.24Å; I461-W468 VanDerWaalsContact O-CE3 3.26Å; I461-P469 HydrophobicContact CG2-CG 4.07Å; I461-P469 WeakPolarHBondContact O-CD 3.29Å; I461-M472 HydrophobicContact CG1-SD 4.28Å; I461-L582 HydrophobicContact CD1-CD1 3.77Å; I461-L582 HydrophobicContact CG1-CD1 4.15Å
462	C	85	Confident	84.5	Confident	3 Å²	3	42 Å²	42	2%	0.02	21%	0.212	C	C	.	.			trans	-80.5	155.2	169.6	-160.4	0	0	0	0	110.3	R314 C316 H438 D460 W468	R314-C462 PolarHBondContact NH2-O 3.39Å; C316-C462 WeakPolarHBondContact CA-SG 3.27Å; C316-C462 HydrophobicContact CB-CB 3.61Å; C316-C462 WeakPolarHBondContact CB-SG 3.37Å; C316-C462 WeakPolarHBondContact SG-CB 3.36Å; C316-C462 CovalentContact SG-SG 2.03Å; C316-C462 PolarHBondContact SG-SG 3.43Å; H438-C462 HydrophobicContact CB-CB 4.12Å; D460-C462 WeakPolarHBondContact OD1-CB 3.32Å; D460-C462 PolarHBondContact OD1-N 2.76Å; C462-W468 HydrophobicContact CB-CZ3 4.41Å
463	L	76.9	Confident	83.9	Confident	65 Å²	65	47.8 Å²	47.8	34%	0.34	24%	0.24	S	C	.	.			trans	-111.4	161.9	168.8	-68	174.5	0	0	0	111.9	R314 N465 C466 S467 P469	R314-L463 PolarHBondContact NH1-O 3.44Å; L463-N465 WeakPolarHBondContact CB-OD1 3.12Å; L463-N465 PolarHBondContact O-N 2.88Å; L463-C466 PolarHBondContact O-N 3.23Å; L463-S467 WeakPolarHBondContact CB-O 3.28Å; L463-S467 PolarHBondContact N-O 3.42Å; L463-P469 HydrophobicContact CD1-CB 4.1Å; L463-P469 HydrophobicContact CD2-CB 4.41Å; L463-P469 HydrophobicContact CG-CB 4.29Å
464	Q	72.5	Confident	83.3	Confident	151 Å²	151	50 Å²	50	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.5	-178.1	-72.7	179.8	-5.1	0	0	113.8	R314 C466	R314-Q464 VanDerWaalsContact NH1-N 3.15Å; Q464-C466 VanDerWaalsContact C-N 3.3Å; Q464-C466 PolarHBondContact O-N 2.68Å
465	N	73.2	Confident	82.7	Confident	108 Å²	108	56.3 Å²	56.3	58%	0.578	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	21.9	177.7	66.3	-30.2	0	0	0	113	L463 S467	L463-N465 WeakPolarHBondContact CB-OD1 3.12Å; L463-N465 PolarHBondContact O-N 2.88Å; N465-S467 VanDerWaalsContact C-N 3.33Å; N465-S467 VanDerWaalsContact CG-OG 3.28Å; N465-S467 PolarHBondContact ND2-OG 2.65Å; N465-S467 PolarHBondContact O-N 3.41Å; N465-S467 PolarHBondContact OD1-OG 3.45Å
466	C	81.4	Confident	82.5	Confident	62 Å²	62	56.2 Å²	56.2	42%	0.419	27%	0.272	S	S	.	.	S	Bend	trans	58.7	38.3	178.8	-48.4	0	0	0	0	114.2	C317 A318 L463 Q464	C317-C466 HydrophobicContact CB-CB 3.92Å; C317-C466 WeakPolarHBondContact CB-SG 3.28Å; C317-C466 WeakPolarHBondContact O-CB 3.22Å; C317-C466 WeakPolarHBondContact SG-CA 3.31Å; C317-C466 WeakPolarHBondContact SG-CB 3.3Å; C317-C466 CovalentContact SG-SG 2.04Å; C317-C466 PolarHBondContact SG-SG 3.48Å; A318-C466 WeakPolarHBondContact CA-O 3.33Å; L463-C466 PolarHBondContact O-N 3.23Å; Q464-C466 VanDerWaalsContact C-N 3.3Å; Q464-C466 PolarHBondContact O-N 2.68Å
467	S	78.6	Confident	82	Confident	37 Å²	37	58.1 Å²	58.1	26%	0.259	28%	0.28	S	S	.	.			trans	-133.1	174	177.6	73	0	0	0	0	112.9	L463 N465	L463-S467 WeakPolarHBondContact CB-O 3.28Å; L463-S467 PolarHBondContact N-O 3.42Å; N465-S467 VanDerWaalsContact C-N 3.33Å; N465-S467 VanDerWaalsContact CG-OG 3.28Å; N465-S467 PolarHBondContact ND2-OG 2.65Å; N465-S467 PolarHBondContact O-N 3.41Å; N465-S467 PolarHBondContact OD1-OG 3.45Å
468	W	82.9	Confident	82.1	Confident	15 Å²	15	57.2 Å²	57.2	6%	0.057	27%	0.274	C	S	.	.			trans	-101.1	133	178.1	-60.9	113.6	0	0	0	110.9	A318 C319 N320 A322 Y324 V433 N434 H438 I461 C462 L584	A318-W468 HydrophobicContact CB-CD2 4.17Å; A318-W468 HydrophobicContact CB-CH2 4.08Å; A318-W468 HydrophobicContact CB-CZ2 3.63Å; C319-W468 PolarHBondContact O-NE1 2.9Å; C319-W468 VanDerWaalsContact O-NE1 3.14Å; N320-W468 WeakPolarHBondContact O-CZ2 3.31Å; N320-W468 PolarHBondContact O-NE1 3.33Å; N320-W468 VanDerWaalsContact O-NE1 3.08Å; A322-W468 HydrophobicContact CB-CB 4.06Å; A322-W468 HydrophobicContact CB-CD2 3.62Å; A322-W468 HydrophobicContact CB-CE3 4.31Å; A322-W468 HydrophobicContact CB-CG 3.46Å; A322-W468 VanDerWaalsContact CB-CG 3.46Å; Y324-W468 WeakPolarHBondContact OH-CB 3.32Å; V433-W468 HydrophobicContact CB-CH2 4.26Å; V433-W468 HydrophobicContact CB-CZ3 4.09Å; V433-W468 HydrophobicContact CG2-CD2 4.35Å; V433-W468 HydrophobicContact CG2-CE3 3.73Å; V433-W468 HydrophobicContact CG2-CH2 3.95Å; V433-W468 HydrophobicContact CG2-CZ3 3.52Å; N434-W468 WeakPolarHBondContact O-CH2 3.38Å; H438-W468 HydrophobicContact CB-CH2 4.23Å; H438-W468 HydrophobicContact CB-CZ3 4.2Å; I461-W468 HydrophobicContact CG2-CE3 4.24Å; I461-W468 VanDerWaalsContact O-CE3 3.26Å; C462-W468 HydrophobicContact CB-CZ3 4.41Å; W468-L584 HydrophobicContact CB-CD1 4.49Å
469	P	81	Confident	82.3	Confident	13 Å²	13	55 Å²	55	8%	0.084	27%	0.265	C	S	.	.			trans	-67.3	137.4	177.8	27	-33.6	0	0	0	112.2	Y324 I461 L463 R471 M472	Y324-P469 VanDerWaalsContact CE1-O 3.24Å; Y324-P469 WeakPolarHBondContact CE1-O 3.19Å; Y324-P469 WeakPolarHBondContact OH-CD 3.21Å; Y324-P469 WeakPolarHBondContact OH-CG 3.23Å; Y324-P469 PolarHBondContact OH-O 2.87Å; I461-P469 HydrophobicContact CG2-CG 4.07Å; I461-P469 WeakPolarHBondContact O-CD 3.29Å; L463-P469 HydrophobicContact CD1-CB 4.1Å; L463-P469 HydrophobicContact CD2-CB 4.41Å; L463-P469 HydrophobicContact CG-CB 4.29Å; P469-R471 PolarHBondContact O-N 3.09Å; P469-M472 HydrophobicContact CB-CG 3.97Å; P469-M472 HydrophobicContact CB-SD 4.29Å; P469-M472 HydrophobicContact CG-CG 3.88Å; P469-M472 HydrophobicContact CG-SD 3.6Å; P469-M472 VanDerWaalsContact CG-SD 3.6Å
470	L	78.8	Confident	82.5	Confident	84 Å²	84	54.6 Å²	54.6	44%	0.44	26%	0.263	S	S	.	.	S	Bend	trans	-66.4	-39.8	178.9	-66.9	175.5	0	0	0	112.8	L584	L470-L584 HydrophobicContact CD2-CD2 3.94Å; L470-L584 WeakPolarHBondContact O-CB 3.32Å; L470-L584 PolarHBondContact O-N 2.81Å
471	R	80	Confident	82.8	Confident	151 Å²	151	52.5 Å²	52.5	57%	0.57	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147	141.8	-178	-167.2	-177.5	-170.7	-169.8	4.3	110.5	P469 E581 L582	P469-R471 PolarHBondContact O-N 3.09Å; R471-E581 HydrophobicContact CG-CG 4.34Å; R471-E581 IonicContact CZ-OE1 3.14Å; R471-E581 IonicContact CZ-OE2 2.96Å; R471-E581 VanDerWaalsContact NE-CD 3.26Å; R471-E581 IonicContact NE-OE1 2.84Å; R471-E581 PolarHBondContact NE-OE1 3.28Å; R471-E581 IonicContact NE-OE2 3.72Å; R471-E581 IonicContact NH2-OE1 2.7Å; R471-E581 PolarHBondContact NH2-OE1 3.26Å; R471-E581 IonicContact NH2-OE2 2.73Å; R471-E581 PolarHBondContact NH2-OE2 2.99Å; R471-L582 CarbonylContact C-O 3.51Å; R471-L582 WeakPolarHBondContact CA-O 3.45Å
472	M	80.5	Confident	82.9	Confident	42 Å²	42	52.5 Å²	52.5	21%	0.207	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.2	169.5	-56.4	-179.6	84.9	0	0	109.8	V459 I461 P469 F474 E581 L582	V459-M472 HydrophobicContact CG1-CE 4.42Å; I461-M472 HydrophobicContact CG1-SD 4.28Å; P469-M472 HydrophobicContact CB-CG 3.97Å; P469-M472 HydrophobicContact CB-SD 4.29Å; P469-M472 HydrophobicContact CG-CG 3.88Å; P469-M472 HydrophobicContact CG-SD 3.6Å; P469-M472 VanDerWaalsContact CG-SD 3.6Å; M472-F474 HydrophobicContact CB-CE2 3.66Å; M472-F474 HydrophobicContact CB-CZ 3.99Å; M472-F474 HydrophobicContact CE-CE2 4.44Å; M472-F474 HydrophobicContact CE-CZ 3.66Å; M472-F474 HydrophobicContact SD-CE2 4.49Å; M472-F474 HydrophobicContact SD-CZ 4.25Å; M472-E581 CarbonylContact O-C 3.47Å; M472-E581 WeakPolarHBondContact O-CA 3.25Å; M472-L582 HydrophobicContact CB-CB 4.18Å; M472-L582 HydrophobicContact CB-CD1 4.16Å; M472-L582 HydrophobicContact CB-CG 4.27Å; M472-L582 PolarHBondContact N-O 3.43Å; M472-L582 PolarHBondContact O-N 3.26Å; M472-L582 HydrophobicContact SD-CD1 4.08Å
473	Q	80.8	Confident	83.2	Confident	124 Å²	124	52.7 Å²	52.7	58%	0.579	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.4	178.6	-167.5	-179.9	14.8	0	0	110.8	V580	Q473-V580 CarbonylContact C-O 3.41Å; Q473-V580 VanDerWaalsContact CA-O 3.29Å; Q473-V580 WeakPolarHBondContact CA-O 3.25Å
474	F	83.9	Confident	83.8	Confident	46 Å²	46	51.4 Å²	51.4	20%	0.202	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.2	-179.5	-54.2	-86.5	0	0	0	110.9	L456 V459 M472 T579 V580 L582	L456-F474 HydrophobicContact CD1-CB 4Å; L456-F474 HydrophobicContact CD1-CD2 3.72Å; L456-F474 HydrophobicContact CD1-CE2 4.39Å; L456-F474 HydrophobicContact CD1-CG 3.89Å; L456-F474 HydrophobicContact CD2-CB 3.81Å; L456-F474 HydrophobicContact CD2-CG 4.2Å; V459-F474 HydrophobicContact CB-CZ 4.47Å; V459-F474 HydrophobicContact CG1-CE1 3.97Å; V459-F474 HydrophobicContact CG1-CE2 3.88Å; V459-F474 HydrophobicContact CG1-CZ 3.31Å; V459-F474 HydrophobicContact CG2-CE1 4.3Å; V459-F474 HydrophobicContact CG2-CZ 4.3Å; M472-F474 HydrophobicContact CB-CE2 3.66Å; M472-F474 HydrophobicContact CB-CZ 3.99Å; M472-F474 HydrophobicContact CE-CE2 4.44Å; M472-F474 HydrophobicContact CE-CZ 3.66Å; M472-F474 HydrophobicContact SD-CE2 4.49Å; M472-F474 HydrophobicContact SD-CZ 4.25Å; F474-T579 CarbonylContact O-C 3.6Å; F474-T579 WeakPolarHBondContact O-CA 3.16Å; F474-V580 HydrophobicContact CB-CB 4.31Å; F474-V580 PolarHBondContact N-O 2.86Å; F474-V580 PolarHBondContact O-N 3.39Å; F474-L582 HydrophobicContact CE2-CD1 3.9Å; F474-L582 HydrophobicContact CE2-CG 4.23Å
475	R	81.7	Confident	84.4	Confident	134 Å²	134	47 Å²	47	51%	0.506	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.9	169.3	-63.7	-179.4	-172.8	170.1	3.5	108.8	R576	R475-R576 VanDerWaalsContact NH2-NH2 3.14Å
476	L	88	Confident	84.8	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	22%	0.216	C	C	.	.			trans	-90	136.4	177.3	-72.3	173.6	0	0	0	111.4	I328 W358 F442 L456 L577 G578 V580	I328-L476 HydrophobicContact CG2-CD1 4.05Å; W358-L476 HydrophobicContact CH2-CD1 3.46Å; W358-L476 VanDerWaalsContact CH2-CD1 3.46Å; W358-L476 HydrophobicContact CZ3-CD1 3.62Å; F442-L476 HydrophobicContact CE2-CD2 4.44Å; F442-L476 HydrophobicContact CZ-CD2 3.9Å; L456-L476 HydrophobicContact CD2-CD2 4.18Å; L456-L476 HydrophobicContact CG-CD2 4.28Å; L476-L577 HydrophobicContact CB-CB 4.34Å; L476-G578 PolarHBondContact N-O 2.63Å; L476-V580 HydrophobicContact CD1-CG2 3.76Å; L476-V580 HydrophobicContact CD2-CG2 3.67Å; L476-V580 HydrophobicContact CG-CG2 3.7Å
477	E	82.1	Confident	84.7	Confident	53 Å²	53	44.6 Å²	44.6	25%	0.248	22%	0.219	C	C	.	.			trans	-121	145.5	-179.2	-63	175.4	158.8	0	0	108.6	R225 T454	R225-E477 IonicContact NH1-OE2 2.68Å; R225-E477 PolarHBondContact NH1-OE2 3.44Å; T454-E477 PolarHBondContact OG1-O 3.3Å
478	P	89.8	Confident	84.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	148.6	171.8	17.8	-10.3	0	0	0	110.6	I446 C453 P506 I507 F517 F574 L577	I446-P478 HydrophobicContact CD1-CB 3.92Å; C453-P478 CarbonylContact O-C 3.45Å; C453-P478 WeakPolarHBondContact O-CA 3.37Å; P478-P506 CarbonylContact O-C 3.49Å; P478-P506 WeakPolarHBondContact O-CA 3.08Å; P478-I507 HydrophobicContact CB-CB 4.19Å; P478-I507 HydrophobicContact CB-CD1 4.22Å; P478-I507 HydrophobicContact CB-CG1 4.45Å; P478-I507 HydrophobicContact CG-CB 4.04Å; P478-I507 PolarHBondContact O-N 2.76Å; P478-F517 HydrophobicContact CB-CD2 4.26Å; P478-F517 HydrophobicContact CB-CE1 4.23Å; P478-F517 HydrophobicContact CB-CE2 3.91Å; P478-F517 HydrophobicContact CB-CZ 3.88Å; P478-F517 HydrophobicContact CG-CB 4.38Å; P478-F517 HydrophobicContact CG-CD1 3.92Å; P478-F517 HydrophobicContact CG-CD2 3.84Å; P478-F517 HydrophobicContact CG-CE1 4.07Å; P478-F517 HydrophobicContact CG-CE2 3.99Å; P478-F517 HydrophobicContact CG-CG 3.78Å; P478-F517 HydrophobicContact CG-CZ 4.1Å; P478-F574 HydrophobicContact CG-CE1 4.11Å; P478-F574 HydrophobicContact CG-CE2 4.3Å; P478-F574 HydrophobicContact CG-CZ 3.37Å; P478-L577 HydrophobicContact CB-CD1 3.72Å; P478-L577 VanDerWaalsContact CD-CD1 3.47Å; P478-L577 HydrophobicContact CG-CD1 3.68Å; P478-L577 HydrophobicContact CG-CG 4.38Å
479	W	90.5	Very high	85	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.4	179.5	-69	80.3	0	0	0	108.9	F373 A375 W452 C453 C505	F373-W479 HydrophobicContact CD2-CD2 4.44Å; F373-W479 HydrophobicContact CD2-CE3 4.38Å; F373-W479 AromaticContact CE2-CD2 3.92Å; F373-W479 HydrophobicContact CE2-CD2 3.92Å; F373-W479 AromaticContact CE2-CE2 3.83Å; F373-W479 HydrophobicContact CE2-CE3 4.26Å; F373-W479 HydrophobicContact CE2-CG 4.33Å; F373-W479 HydrophobicContact CE2-CH2 4.43Å; F373-W479 HydrophobicContact CE2-CZ2 4.11Å; F373-W479 HydrophobicContact CE2-CZ3 4.49Å; A375-W479 HydrophobicContact CB-CH2 3.86Å; A375-W479 HydrophobicContact CB-CZ3 3.69Å; W452-W479 CarbonylContact C-O 3.55Å; W452-W479 VanDerWaalsContact CA-O 3.25Å; W452-W479 WeakPolarHBondContact CA-O 3.32Å; C453-W479 PolarHBondContact N-O 2.96Å; C453-W479 PolarHBondContact O-N 2.89Å; W479-C505 CarbonylContact C-O 3.51Å; W479-C505 WeakPolarHBondContact CA-O 2.99Å
480	D	91.5	Very high	85.2	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.2	167.8	179.2	-27.7	0	0	0	106.7	G482 M504 C505 I507 R512	D480-G482 PolarHBondContact O-N 2.98Å; D480-G482 WeakPolarHBondContact OD1-CA 3.35Å; D480-G482 PolarHBondContact OD1-N 3.12Å; D480-M504 VanDerWaalsContact O-CA 3.3Å; D480-M504 WeakPolarHBondContact O-CA 3.27Å; D480-C505 PolarHBondContact N-O 2.84Å; D480-C505 PolarHBondContact O-N 3.12Å; D480-I507 HydrophobicContact CB-CD1 4.04Å; D480-I507 HydrophobicContact CB-CG1 3.83Å; D480-R512 IonicContact OD2-CZ 3.38Å; D480-R512 IonicContact OD2-NE 3.84Å; D480-R512 PolarHBondContact OD2-NE 3.38Å; D480-R512 IonicContact OD2-NH2 2.66Å; D480-R512 PolarHBondContact OD2-NH2 2.89Å
481	A	92.3	Very high	85	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.			trans	-74.4	-12.6	-179.4	0	0	0	0	0	113	A379 C387 D451 V483 M504	A379-A481 HydrophobicContact CB-CB 4.38Å; C387-A481 HydrophobicContact CB-CB 3.79Å; D451-A481 HydrophobicContact CB-CB 4.19Å; D451-A481 VanDerWaalsContact O-CB 3.32Å; D451-A481 WeakPolarHBondContact O-CB 3.34Å; D451-A481 PolarHBondContact O-N 3.14Å; A481-V483 HydrophobicContact CB-CG2 4.05Å; A481-M504 HydrophobicContact CB-CE 4.39Å
482	G	89.5	Confident	84.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	74.8	27.8	174.7	0	0	0	0	0	113.9	D451 D480 P501 K502	D451-G482 PolarHBondContact OD2-N 3.02Å; D480-G482 PolarHBondContact O-N 2.98Å; D480-G482 WeakPolarHBondContact OD1-CA 3.35Å; D480-G482 PolarHBondContact OD1-N 3.12Å; G482-P501 CarbonylContact O-C 3.42Å; G482-P501 WeakPolarHBondContact O-CA 3.35Å; G482-K502 PolarHBondContact O-N 2.89Å
483	V	91.1	Very high	84.2	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.036	26%	0.259	C	S	.	.	S	Bend	trans	-118	-28.1	-174.2	-69.8	0	0	0	0	113.5	A379 D384 T388 D451 A481 R497 L498	A379-V483 HydrophobicContact CB-CG1 4.28Å; D384-V483 HydrophobicContact CB-CG1 4.46Å; T388-V483 HydrophobicContact CG2-CG2 3.49Å; T388-V483 VanDerWaalsContact CG2-CG2 3.49Å; D451-V483 HydrophobicContact CB-CG2 3.58Å; D451-V483 WeakPolarHBondContact OD2-CG2 3.38Å; D451-V483 PolarHBondContact OD2-N 3.26Å; A481-V483 HydrophobicContact CB-CG2 4.05Å; V483-R497 WeakPolarHBondContact O-CA 3.46Å; V483-R497 WeakPolarHBondContact O-CG 2.99Å; V483-L498 PolarHBondContact O-N 2.93Å
484	M	89	Confident	84.1	Confident	38 Å²	38	51.2 Å²	51.2	19%	0.187	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-118.9	154.7	-178.4	-61.8	-66.7	-69.4	0	0	111.9	T388 P450 D451 S495 E496 R497	T388-M484 HydrophobicContact CG2-CG 3.64Å; T388-M484 HydrophobicContact CG2-SD 4.38Å; P450-M484 HydrophobicContact CB-CB 4.06Å; D451-M484 HydrophobicContact CB-CB 3.88Å; D451-M484 HydrophobicContact CB-CG 3.95Å; D451-M484 PolarHBondContact OD2-N 3.01Å; M484-S495 WeakPolarHBondContact CE-O 3.48Å; M484-E496 CarbonylContact C-O 3.5Å; M484-E496 WeakPolarHBondContact CA-O 3.29Å; M484-R497 HydrophobicContact SD-CB 4.01Å; M484-R497 HydrophobicContact SD-CG 4.29Å
485	T	85.1	Confident	83.9	Confident	58 Å²	58	50.8 Å²	50.8	36%	0.356	27%	0.27	S	S	.	.			trans	-84.6	133.2	170.2	60	0	0	0	0	111	S495 E496 L498	T485-S495 WeakPolarHBondContact O-CA 3.15Å; T485-S495 WeakPolarHBondContact O-CB 3.36Å; T485-S495 PolarHBondContact O-OG 2.03Å; T485-E496 PolarHBondContact N-O 3.48Å; T485-E496 PolarHBondContact OG1-N 3.41Å; T485-E496 PolarHBondContact OG1-O 2.96Å; T485-L498 HydrophobicContact CG2-CD2 3.51Å; T485-L498 HydrophobicContact CG2-CG 4.2Å
486	G	82.3	Confident	84.2	Confident	30 Å²	30	50.7 Å²	50.7	31%	0.309	28%	0.275	S	S	.	.			trans	157.6	147	171.5	0	0	0	0	0	111.5
487	N	79.9	Confident	84.3	Confident	90 Å²	90	57 Å²	57	48%	0.481	30%	0.299	S	S	.	.	S	Bend	trans	-125.7	5.7	-177.1	64.5	-8.2	0	0	0	113.1	T515 P516	N487-T515 WeakPolarHBondContact O-CA 3.22Å; N487-P516 VanDerWaalsContact O-CD 3.31Å; N487-P516 WeakPolarHBondContact O-CD 3.48Å
488	T	81.9	Confident	84.5	Confident	20 Å²	20	56.4 Å²	56.4	12%	0.123	30%	0.297	C	S	.	.	S	Bend	trans	-138.2	167.6	177.8	-171	0	0	0	0	110.3	D340 P450 W452 I490 P491	D340-T488 WeakPolarHBondContact CB-OG1 3.27Å; D340-T488 WeakPolarHBondContact OD2-CB 3.16Å; D340-T488 PolarHBondContact OD2-OG1 3.29Å; P450-T488 WeakPolarHBondContact CD-O 3.4Å; W452-T488 VanDerWaalsContact CH2-C 3.4Å; W452-T488 VanDerWaalsContact CH2-CA 3.48Å; T488-I490 VanDerWaalsContact C-N 3.34Å; T488-I490 WeakPolarHBondContact CG2-O 3.4Å; T488-I490 PolarHBondContact O-N 2.93Å; T488-P491 HydrophobicContact CG2-CB 4.25Å; T488-P491 HydrophobicContact CG2-CG 4.17Å
489	Y	85.8	Confident	84.1	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.008	34%	0.343	C	S	.	.	S	Bend	trans	-60.8	-41.9	-177.4	-64.1	-65.3	0	0	0	112.5	W332 D340 P342 I446 P448 S449 W452 P516 F517	W332-Y489 AromaticContact CE2-CE1 3.9Å; W332-Y489 AromaticContact CE2-CZ 3.96Å; W332-Y489 HydrophobicContact CH2-CE1 4.41Å; W332-Y489 AromaticContact CZ2-CD1 3.85Å; W332-Y489 HydrophobicContact CZ2-CD1 3.85Å; W332-Y489 AromaticContact CZ2-CE1 3.39Å; W332-Y489 HydrophobicContact CZ2-CE1 3.39Å; W332-Y489 HydrophobicContact CZ2-CE2 4.46Å; W332-Y489 AromaticContact CZ2-CZ 3.74Å; W332-Y489 AromaticContact NE1-CE1 3.9Å; W332-Y489 AromaticContact NE1-CZ 3.56Å; W332-Y489 PolarHBondContact NE1-OH 2.59Å; D340-Y489 HydrophobicContact CB-CD2 4.32Å; D340-Y489 WeakPolarHBondContact O-CD2 3.37Å; P342-Y489 HydrophobicContact CG-CD2 4.29Å; P342-Y489 HydrophobicContact CG-CG 4.15Å; I446-Y489 HydrophobicContact CG2-CD1 4.39Å; I446-Y489 HydrophobicContact CG2-CE1 4.12Å; P448-Y489 CarbonylContact C-O 3.53Å; P448-Y489 WeakPolarHBondContact O-CB 3.33Å; P448-Y489 WeakPolarHBondContact O-CD1 2.98Å; S449-Y489 WeakPolarHBondContact CA-O 3.26Å; S449-Y489 PolarHBondContact N-O 2.96Å; W452-Y489 HydrophobicContact CE3-CD1 4.04Å; W452-Y489 HydrophobicContact CE3-CE1 4.22Å; W452-Y489 AromaticContact CZ3-CD1 3.7Å; W452-Y489 HydrophobicContact CZ3-CD1 3.7Å; W452-Y489 AromaticContact CZ3-CE1 3.93Å; W452-Y489 HydrophobicContact CZ3-CE1 3.93Å; W452-Y489 HydrophobicContact CZ3-CG 4.28Å; Y489-P516 HydrophobicContact CD2-CB 3.8Å; Y489-P516 HydrophobicContact CD2-CG 3.71Å; Y489-P516 HydrophobicContact CE1-CB 4.49Å; Y489-P516 HydrophobicContact CE2-CB 3.24Å; Y489-P516 HydrophobicContact CE2-CG 3.7Å; Y489-P516 HydrophobicContact CG-CG 4.26Å; Y489-F517 AromaticContact CE1-CE1 3.71Å; Y489-F517 HydrophobicContact CE1-CE1 3.71Å; Y489-F517 HydrophobicContact CE1-CE2 4.48Å; Y489-F517 AromaticContact CE1-CZ 3.61Å; Y489-F517 HydrophobicContact CE1-CZ 3.61Å; Y489-F517 AromaticContact CZ-CE1 3.83Å; Y489-F517 WeakPolarHBondContact OH-CD1 3.29Å; Y489-F517 WeakPolarHBondContact OH-CE1 3.47Å
490	I	84.5	Confident	83.6	Confident	87 Å²	87	76.2 Å²	76.2	45%	0.446	38%	0.379	S	S	.	.	S	Bend	trans	-129.2	91.6	176.7	-52.9	174.1	0	0	0	107.4	P342 P448 T488	P342-I490 HydrophobicContact CB-CD1 3.87Å; P342-I490 HydrophobicContact CB-CG1 4.38Å; P448-I490 HydrophobicContact CB-CG1 3.99Å; P448-I490 HydrophobicContact CG-CD1 3.83Å; P448-I490 HydrophobicContact CG-CG1 3.5Å; P448-I490 VanDerWaalsContact CG-CG1 3.5Å; T488-I490 VanDerWaalsContact C-N 3.34Å; T488-I490 WeakPolarHBondContact CG2-O 3.4Å; T488-I490 PolarHBondContact O-N 2.93Å
491	P	76.1	Confident	83.2	Confident	32 Å²	32	79 Å²	79	21%	0.208	40%	0.398	C	S	.	.			trans	-61.8	147.6	178.3	-23.9	36.2	0	0	0	112.1	P450 T488 E493	P450-P491 HydrophobicContact CG-CG 3.9Å; T488-P491 HydrophobicContact CG2-CB 4.25Å; T488-P491 HydrophobicContact CG2-CG 4.17Å; P491-E493 VanDerWaalsContact C-N 3.33Å; P491-E493 WeakPolarHBondContact CB-O 2.87Å
492	I	68.7	Low	82.6	Confident	180 Å²	180	82.5 Å²	82.5	92%	0.923	41%	0.413	S	S	*	.	S	Bend	trans	-63.6	-42.7	178.3	-62.9	171.2	0	0	0	110.3
493	E	73	Confident	82	Confident	163 Å²	163	83.2 Å²	83.2	76%	0.762	42%	0.418	S	S	*	.	S	Bend	trans	-87.9	143.8	172.2	-66	177.3	178.1	0	0	109.4	P491 S495	P491-E493 VanDerWaalsContact C-N 3.33Å; P491-E493 WeakPolarHBondContact CB-O 2.87Å; E493-S495 PolarHBondContact O-N 2.99Å
494	T	78.9	Confident	81.7	Confident	122 Å²	122	83 Å²	83	75%	0.748	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-58.6	123.5	175.2	47.2	0	0	0	0	109.7	E496	T494-E496 PolarHBondContact O-N 3.19Å
495	S	80.6	Confident	81	Confident	36 Å²	36	81.4 Å²	81.4	25%	0.252	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-54.4	123.8	176.1	-71.5	0	0	0	0	111.4	M484 T485 E493	M484-S495 WeakPolarHBondContact CE-O 3.48Å; T485-S495 WeakPolarHBondContact O-CA 3.15Å; T485-S495 WeakPolarHBondContact O-CB 3.36Å; T485-S495 PolarHBondContact O-OG 2.03Å; E493-S495 PolarHBondContact O-N 2.99Å
496	E	87.5	Confident	80.7	Confident	133 Å²	133	78.9 Å²	78.9	62%	0.621	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-100.3	153.2	175.8	-62.3	-172	169	0	0	110.1	M484 T485 T494	M484-E496 CarbonylContact C-O 3.5Å; M484-E496 WeakPolarHBondContact CA-O 3.29Å; T485-E496 PolarHBondContact N-O 3.48Å; T485-E496 PolarHBondContact OG1-N 3.41Å; T485-E496 PolarHBondContact OG1-O 2.96Å; T494-E496 PolarHBondContact O-N 3.19Å
497	R	90	Very high	80.5	Confident	135 Å²	135	77.5 Å²	77.5	51%	0.509	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-74.1	133	174.5	-165.9	173.4	-179.1	89.4	-2.8	109.8	D384 V483 M484	D384-R497 VanDerWaalsContact CG-NH1 3.34Å; D384-R497 IonicContact OD1-CZ 3.48Å; D384-R497 IonicContact OD1-NH1 3.83Å; D384-R497 PolarHBondContact OD1-NH1 3.5Å; D384-R497 IonicContact OD1-NH2 3.84Å; D384-R497 IonicContact OD2-CZ 2.7Å; D384-R497 VanDerWaalsContact OD2-CZ 3.29Å; D384-R497 IonicContact OD2-NH1 2.77Å; D384-R497 PolarHBondContact OD2-NH1 3.41Å; D384-R497 IonicContact OD2-NH2 2.73Å; D384-R497 PolarHBondContact OD2-NH2 3.42Å; V483-R497 WeakPolarHBondContact O-CA 3.46Å; V483-R497 WeakPolarHBondContact O-CG 2.99Å; M484-R497 HydrophobicContact SD-CB 4.01Å; M484-R497 HydrophobicContact SD-CG 4.29Å
498	L	86.4	Confident	79.8	Confident	40 Å²	40	74.8 Å²	74.8	21%	0.209	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-62.7	137.3	177.8	-70.3	169.9	0	0	0	110.9	V483 T485 E500 K502	V483-L498 PolarHBondContact O-N 2.93Å; T485-L498 HydrophobicContact CG2-CD2 3.51Å; T485-L498 HydrophobicContact CG2-CG 4.2Å; L498-E500 VanDerWaalsContact C-N 3.27Å; L498-E500 PolarHBondContact O-N 2.04Å; L498-K502 HydrophobicContact CD1-CD 4.17Å; L498-K502 HydrophobicContact CD1-CG 4.19Å
499	R	82.6	Confident	78.7	Confident	254 Å²	254	74.4 Å²	74.4	96%	0.958	36%	0.363	S	S	*	.	S	Bend	trans	-62	-38.1	175.8	-64.7	-175.1	-167.9	-176.2	4.3	111.9
500	E	80	Confident	77.1	Confident	166 Å²	166	79 Å²	79	78%	0.776	39%	0.388	S	S	*	.	S	Bend	trans	-122.6	115.1	173.7	-67.2	-174.9	174.4	0	0	108.2	L498	L498-E500 VanDerWaalsContact C-N 3.27Å; L498-E500 PolarHBondContact O-N 2.04Å
501	P	82.6	Confident	75.9	Confident	68 Å²	68	77.6 Å²	77.6	44%	0.442	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-57.6	143	175.4	-25	34.2	0	0	0	111.3	Y378 G482	Y378-P501 HydrophobicContact CD1-CB 4.31Å; Y378-P501 WeakPolarHBondContact CE1-O 3.4Å; G482-P501 CarbonylContact O-C 3.42Å; G482-P501 WeakPolarHBondContact O-CA 3.35Å
502	K	79.9	Confident	75.3	Confident	72 Å²	72	77.3 Å²	77.3	31%	0.313	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-95.1	152.8	172.4	-64.3	176.8	-176.3	178.6	0	109.3	G482 L498	G482-K502 PolarHBondContact O-N 2.89Å; L498-K502 HydrophobicContact CD1-CD 4.17Å; L498-K502 HydrophobicContact CD1-CG 4.19Å
503	P	77.1	Confident	74.8	Confident	16 Å²	16	70.5 Å²	70.5	10%	0.104	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-59.4	143.4	169.1	-21.4	32.6	0	0	0	111.2	G377 Y378	G377-P503 CarbonylContact O-C 3.52Å; G377-P503 WeakPolarHBondContact O-CA 3.33Å; Y378-P503 HydrophobicContact CE1-CG 4.15Å
504	M	83	Confident	74.5	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-58.1	137.1	174.1	-62.7	-171.7	68.9	0	0	110.2	F373 G376 G377 A379 V383 D480 A481	F373-M504 HydrophobicContact CB-CE 3.9Å; F373-M504 HydrophobicContact CB-SD 3.69Å; F373-M504 HydrophobicContact CD2-CE 3.97Å; F373-M504 HydrophobicContact CG-CE 4.21Å; G376-M504 PolarHBondContact N-O 3.3Å; G377-M504 PolarHBondContact O-N 2.71Å; A379-M504 HydrophobicContact CB-CG 4.07Å; A379-M504 HydrophobicContact CB-SD 3.96Å; V383-M504 HydrophobicContact CG1-CE 3.76Å; V383-M504 HydrophobicContact CG1-SD 3.86Å; D480-M504 VanDerWaalsContact O-CA 3.3Å; D480-M504 WeakPolarHBondContact O-CA 3.27Å; A481-M504 HydrophobicContact CB-CE 4.39Å
505	C	75.5	Confident	74.3	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.034	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	147.1	-179.6	49.3	0	0	0	0	114.1	C304 W479 D480 I507	C304-C505 HydrophobicContact CB-CB 3.46Å; C304-C505 VanDerWaalsContact CB-CB 3.46Å; C304-C505 WeakPolarHBondContact CB-SG 3.38Å; C304-C505 WeakPolarHBondContact SG-CB 3.42Å; C304-C505 CovalentContact SG-SG 2.03Å; C304-C505 PolarHBondContact SG-SG 3.08Å; W479-C505 CarbonylContact C-O 3.51Å; W479-C505 WeakPolarHBondContact CA-O 2.99Å; D480-C505 PolarHBondContact N-O 2.84Å; D480-C505 PolarHBondContact O-N 3.12Å; C505-I507 PolarHBondContact O-N 2.73Å
506	P	78.1	Confident	74.1	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.5	172.2	29.1	-33.5	0	0	0	109.7	P478 T508 L511	P478-P506 CarbonylContact O-C 3.49Å; P478-P506 WeakPolarHBondContact O-CA 3.08Å; P506-T508 HydrophobicContact CB-CG2 4.32Å; P506-T508 PolarHBondContact O-N 2.7Å; P506-L511 HydrophobicContact CG-CD1 4.41Å
507	I	77.9	Confident	73.6	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	26%	0.259	C	S	.	.			trans	-79.6	104	174.9	-59.4	-179.2	0	0	0	107.6	W452 P478 D480 C505 R512 T515 F517 F574	W452-I507 HydrophobicContact CD2-CD1 3.97Å; W452-I507 HydrophobicContact CG-CD1 3.88Å; P478-I507 HydrophobicContact CB-CB 4.19Å; P478-I507 HydrophobicContact CB-CD1 4.22Å; P478-I507 HydrophobicContact CB-CG1 4.45Å; P478-I507 HydrophobicContact CG-CB 4.04Å; P478-I507 PolarHBondContact O-N 2.76Å; D480-I507 HydrophobicContact CB-CD1 4.04Å; D480-I507 HydrophobicContact CB-CG1 3.83Å; C505-I507 PolarHBondContact O-N 2.73Å; I507-R512 HydrophobicContact CG2-CB 3.89Å; I507-R512 HydrophobicContact CG2-CG 4.44Å; I507-T515 HydrophobicContact CG2-CG2 3.84Å; I507-T515 VanDerWaalsContact CG2-OG1 3.25Å; I507-T515 WeakPolarHBondContact CG2-OG1 3.46Å; I507-F517 HydrophobicContact CD1-CD2 4.38Å; I507-F517 HydrophobicContact CD1-CE2 3.98Å; I507-F517 HydrophobicContact CG2-CD2 3.82Å; I507-F517 HydrophobicContact CG2-CE2 4.45Å; I507-F574 WeakPolarHBondContact O-CE2 3.05Å
508	T	65.2	Low	72.4	Confident	32 Å²	32	48.4 Å²	48.4	20%	0.196	24%	0.239	C	C	.	.			trans	-119	158.8	176.8	65.3	0	0	0	0	110.4	P506 D510 L511 R512	P506-T508 HydrophobicContact CB-CG2 4.32Å; P506-T508 PolarHBondContact O-N 2.7Å; T508-D510 PolarHBondContact O-N 3.19Å; T508-D510 VanDerWaalsContact O-N 3.12Å; T508-L511 PolarHBondContact O-N 2.95Å; T508-L511 WeakPolarHBondContact OG1-CB 3.02Å; T508-L511 VanDerWaalsContact OG1-CG 3.31Å; T508-L511 WeakPolarHBondContact OG1-CG 2.95Å; T508-L511 PolarHBondContact OG1-N 3.44Å; T508-R512 CarbonylContact O-C 3.43Å; T508-R512 PolarHBondContact O-N 3.2Å
509	P	58.3	Low	70.7	Confident	12 Å²	12	47.7 Å²	47.7	8%	0.078	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19	-179.5	-18.5	32.3	0	0	0	113.9	P513 T518 R572 F574	P509-P513 WeakPolarHBondContact O-CA 3.41Å; P509-T518 HydrophobicContact CB-CG2 3.87Å; P509-T518 HydrophobicContact CG-CG2 4.24Å; P509-R572 HydrophobicContact CB-CB 3.48Å; P509-R572 VanDerWaalsContact CB-CB 3.48Å; P509-R572 HydrophobicContact CB-CG 4.1Å; P509-R572 HydrophobicContact CG-CB 4.05Å; P509-R572 PolarHBondContact O-NH1 3.39Å; P509-F574 HydrophobicContact CG-CD2 3.93Å
510	D	53.6	Low	68.9	Low	99 Å²	99	41 Å²	41	53%	0.529	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-37.3	177.9	-63.6	-33	0	0	0	112.1	T508	T508-D510 PolarHBondContact O-N 3.19Å; T508-D510 VanDerWaalsContact O-N 3.12Å
511	L	58	Low	66.7	Low	57 Å²	57	36.5 Å²	36.5	30%	0.298	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-35.1	179.8	-65.9	173.8	0	0	0	112.8	P506 T508	P506-L511 HydrophobicContact CG-CD1 4.41Å; T508-L511 PolarHBondContact O-N 2.95Å; T508-L511 WeakPolarHBondContact OG1-CB 3.02Å; T508-L511 VanDerWaalsContact OG1-CG 3.31Å; T508-L511 WeakPolarHBondContact OG1-CG 2.95Å; T508-L511 PolarHBondContact OG1-N 3.44Å
512	R	63.7	Low	64.1	Low	26 Å²	26	39.3 Å²	39.3	10%	0.098	21%	0.214	C	C	.	.			trans	-139.3	68.2	-171.5	-68.7	-62.8	-157.5	-177.5	6.9	110.3	D302 D480 I507 T508 N514 T515 T518	D302-R512 IonicContact OD1-CZ 3.92Å; D302-R512 IonicContact OD1-NH1 3Å; D302-R512 PolarHBondContact OD1-NH1 3.28Å; D302-R512 IonicContact OD2-NH1 3.88Å; D302-R512 PolarHBondContact OD2-NH1 2.9Å; D480-R512 IonicContact OD2-CZ 3.38Å; D480-R512 IonicContact OD2-NE 3.84Å; D480-R512 PolarHBondContact OD2-NE 3.38Å; D480-R512 IonicContact OD2-NH2 2.66Å; D480-R512 PolarHBondContact OD2-NH2 2.89Å; I507-R512 HydrophobicContact CG2-CB 3.89Å; I507-R512 HydrophobicContact CG2-CG 4.44Å; T508-R512 CarbonylContact O-C 3.43Å; T508-R512 PolarHBondContact O-N 3.2Å; R512-N514 PolarHBondContact O-N 2.88Å; R512-N514 VanDerWaalsContact O-N 3.09Å; R512-T515 HydrophobicContact CB-CG2 3.84Å; R512-T515 PolarHBondContact O-N 2.73Å; R512-T515 PolarHBondContact O-OG1 2.79Å; R512-T515 VanDerWaalsContact O-OG1 3.05Å; R512-T518 WeakPolarHBondContact O-CG2 3.37Å
513	P	59.2	Low	61.5	Low	38 Å²	38	46.3 Å²	46.3	25%	0.247	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.4	-169.8	29.3	-38.9	0	0	0	114.9	P509 T518 R572	P509-P513 WeakPolarHBondContact O-CA 3.41Å; P513-T518 PolarHBondContact O-OG1 3Å; P513-R572 VanDerWaalsContact CB-NH1 3.3Å
514	N	66.9	Low	59	Low	105 Å²	105	50.6 Å²	50.6	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	12.5	-171.8	-66.1	-19.5	0	0	0	113.4	R339 R512	R339-N514 PolarHBondContact NH1-O 2.87Å; R512-N514 PolarHBondContact O-N 2.88Å; R512-N514 VanDerWaalsContact O-N 3.09Å
515	T	73.9	Confident	56.2	Low	7 Å²	7	55.2 Å²	55.2	4%	0.043	30%	0.298	C	S	.	.	S	Bend	trans	-91.9	155.6	-177.7	60.3	0	0	0	0	113.1	R339 W452 N487 I507 R512 F517 T518	R339-T515 PolarHBondContact NH1-O 2.93Å; W452-T515 HydrophobicContact CZ2-CG2 4.35Å; N487-T515 WeakPolarHBondContact O-CA 3.22Å; I507-T515 HydrophobicContact CG2-CG2 3.84Å; I507-T515 VanDerWaalsContact CG2-OG1 3.25Å; I507-T515 WeakPolarHBondContact CG2-OG1 3.46Å; R512-T515 HydrophobicContact CB-CG2 3.84Å; R512-T515 PolarHBondContact O-N 2.73Å; R512-T515 PolarHBondContact O-OG1 2.79Å; R512-T515 VanDerWaalsContact O-OG1 3.05Å; T515-F517 PolarHBondContact O-N 3.31Å; T515-T518 PolarHBondContact O-N 3.25Å; T515-T518 PolarHBondContact O-OG1 2.72Å
516	P	77.6	Confident	53.8	Low	1 Å²	1	61.5 Å²	61.5	1%	0.006	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-26.6	-179.5	-28.9	36.7	0	0	0	114.1	R339 D340 W452 N487 Y489 T518	R339-P516 WeakPolarHBondContact O-CB 3.25Å; D340-P516 HydrophobicContact CB-CB 4.43Å; D340-P516 HydrophobicContact CB-CG 4.07Å; W452-P516 VanDerWaalsContact CH2-CD 3.47Å; W452-P516 HydrophobicContact CH2-CG 4.03Å; W452-P516 HydrophobicContact CZ3-CG 4.09Å; N487-P516 VanDerWaalsContact O-CD 3.31Å; N487-P516 WeakPolarHBondContact O-CD 3.48Å; Y489-P516 HydrophobicContact CD2-CB 3.8Å; Y489-P516 HydrophobicContact CD2-CG 3.71Å; Y489-P516 HydrophobicContact CE1-CB 4.49Å; Y489-P516 HydrophobicContact CE2-CB 3.24Å; Y489-P516 HydrophobicContact CE2-CG 3.7Å; Y489-P516 HydrophobicContact CG-CG 4.26Å; P516-T518 VanDerWaalsContact C-N 3.26Å; P516-T518 PolarHBondContact O-N 3.35Å
517	F	77.3	Confident	51.4	Low	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.8	-178.3	-47	-74.7	0	0	0	114.1	I446 W452 P478 Y489 I507 T515 V519 F574 L577	I446-F517 HydrophobicContact CD1-CE1 4.17Å; I446-F517 HydrophobicContact CD1-CZ 3.9Å; W452-F517 HydrophobicContact CD2-CE2 4Å; W452-F517 HydrophobicContact CD2-CZ 4.39Å; W452-F517 AromaticContact CE3-CE2 3.38Å; W452-F517 HydrophobicContact CE3-CE2 3.38Å; W452-F517 AromaticContact CE3-CZ 3.53Å; W452-F517 HydrophobicContact CE3-CZ 3.53Å; W452-F517 HydrophobicContact CH2-CE2 4.1Å; W452-F517 HydrophobicContact CZ3-CD2 4.41Å; W452-F517 AromaticContact CZ3-CE2 3.44Å; W452-F517 HydrophobicContact CZ3-CE2 3.44Å; W452-F517 VanDerWaalsContact CZ3-CE2 3.44Å; W452-F517 AromaticContact CZ3-CZ 3.78Å; W452-F517 HydrophobicContact CZ3-CZ 3.78Å; P478-F517 HydrophobicContact CB-CD2 4.26Å; P478-F517 HydrophobicContact CB-CE1 4.23Å; P478-F517 HydrophobicContact CB-CE2 3.91Å; P478-F517 HydrophobicContact CB-CZ 3.88Å; P478-F517 HydrophobicContact CG-CB 4.38Å; P478-F517 HydrophobicContact CG-CD1 3.92Å; P478-F517 HydrophobicContact CG-CD2 3.84Å; P478-F517 HydrophobicContact CG-CE1 4.07Å; P478-F517 HydrophobicContact CG-CE2 3.99Å; P478-F517 HydrophobicContact CG-CG 3.78Å; P478-F517 HydrophobicContact CG-CZ 4.1Å; Y489-F517 AromaticContact CE1-CE1 3.71Å; Y489-F517 HydrophobicContact CE1-CE1 3.71Å; Y489-F517 HydrophobicContact CE1-CE2 4.48Å; Y489-F517 AromaticContact CE1-CZ 3.61Å; Y489-F517 HydrophobicContact CE1-CZ 3.61Å; Y489-F517 AromaticContact CZ-CE1 3.83Å; Y489-F517 WeakPolarHBondContact OH-CD1 3.29Å; Y489-F517 WeakPolarHBondContact OH-CE1 3.47Å; I507-F517 HydrophobicContact CD1-CD2 4.38Å; I507-F517 HydrophobicContact CD1-CE2 3.98Å; I507-F517 HydrophobicContact CG2-CD2 3.82Å; I507-F517 HydrophobicContact CG2-CE2 4.45Å; T515-F517 PolarHBondContact O-N 3.31Å; F517-V519 PolarHBondContact O-N 3.02Å; F517-F574 HydrophobicContact CB-CE2 3.5Å; F517-F574 HydrophobicContact CB-CZ 3.52Å; F517-F574 HydrophobicContact CG-CE2 4.5Å; F517-F574 HydrophobicContact CG-CZ 4.16Å; F517-L577 HydrophobicContact CD1-CD2 3.92Å; F517-L577 HydrophobicContact CE1-CD2 3.77Å
518	T	63.6	Low	49	Very low	12 Å²	12	72 Å²	72	7%	0.074	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	98.7	177.3	63.6	0	0	0	0	109.9	P509 R512 P513 T515 P516 L520	P509-T518 HydrophobicContact CB-CG2 3.87Å; P509-T518 HydrophobicContact CG-CG2 4.24Å; R512-T518 WeakPolarHBondContact O-CG2 3.37Å; P513-T518 PolarHBondContact O-OG1 3Å; T515-T518 PolarHBondContact O-N 3.25Å; T515-T518 PolarHBondContact O-OG1 2.72Å; P516-T518 VanDerWaalsContact C-N 3.26Å; P516-T518 PolarHBondContact O-N 3.35Å; T518-L520 PolarHBondContact O-N 3.18Å
519	V	51.2	Low	47.3	Very low	25 Å²	25	75.5 Å²	75.5	15%	0.152	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.9	173.4	-169.6	0	0	0	0	108.4	F517 T521 A575	F517-V519 PolarHBondContact O-N 3.02Å; V519-T521 HydrophobicContact CG1-CG2 4.17Å; V519-T521 PolarHBondContact O-N 3.38Å; V519-T521 VanDerWaalsContact O-N 3.16Å; V519-A575 HydrophobicContact CG2-CB 4.07Å
520	L	43.6	Very low	45.8	Very low	112 Å²	112	82.8 Å²	82.8	59%	0.586	45%	0.454	S	S	*	.			trans	-70.2	101.5	162.4	-88.2	150.2	0	0	0	106.7	T518 D522 M570	T518-L520 PolarHBondContact O-N 3.18Å; L520-D522 PolarHBondContact O-N 2.78Å; L520-M570 HydrophobicContact CD2-SD 4.32Å
521	T	35.6	Very low	44.5	Very low	72 Å²	72	82.8 Å²	82.8	44%	0.442	46%	0.462	S	S	.	.			trans	-80.8	93.3	171.9	47.2	0	0	0	0	108.9	V519 Y523	V519-T521 HydrophobicContact CG1-CG2 4.17Å; V519-T521 PolarHBondContact O-N 3.38Å; V519-T521 VanDerWaalsContact O-N 3.16Å; T521-Y523 PolarHBondContact O-N 2.93Å
522	D	26.9	Very low	43	Very low	128 Å²	128	89.9 Å²	89.9	68%	0.684	49%	0.491	S	S	*	.			trans	-65.9	121.2	153	-75.3	-32.1	0	0	0	107.6	L520	L520-D522 PolarHBondContact O-N 2.78Å
523	Y	24.6	Very low	41.1	Very low	218 Å²	218	93 Å²	93	86%	0.855	52%	0.516	S	S	*	.	S	Bend	trans	13.1	109.2	163.7	-80.8	-95.5	0	0	0	118	T521	T521-Y523 PolarHBondContact O-N 2.93Å
524	V	25.3	Very low	39.6	Very low	107 Å²	107	99.4 Å²	99.4	65%	0.648	55%	0.547	S	S	*	.				-156.7	110.4	116.3	-177.4	0	0	0	0	108.2	L526 M895	V524-L526 HydrophobicContact CG1-CG 4.31Å; V524-L526 PolarHBondContact O-N 2.66Å; V524-L526 VanDerWaalsContact O-N 3.07Å; V524-M895 HydrophobicContact CG1-CE 4.11Å
525	S	24.8	Very low	37.5	Very low	98 Å²	98	99 Å²	99	69%	0.685	55%	0.549	S	S	*	.			trans	-63.1	101.8	157.2	-46.7	0	0	0	0	107.6	P527 M895	S525-P527 WeakPolarHBondContact O-CD 3.44Å; S525-M895 WeakPolarHBondContact O-CE 3.47Å
526	L	25.7	Very low	35.3	Very low	136 Å²	136	106.1 Å²	106.1	71%	0.712	59%	0.587	S	S	*	*			trans	-77.1	114.3	162.8	-84.7	159.8	0	0	0	106.8	V524	V524-L526 HydrophobicContact CG1-CG 4.31Å; V524-L526 PolarHBondContact O-N 2.66Å; V524-L526 VanDerWaalsContact O-N 3.07Å
527	P	26.9	Very low	32.9	Very low	65 Å²	65	114.5 Å²	114.5	42%	0.422	63%	0.631	S	S	.	*			trans	-72.7	146.8	171.9	6.4	9.5	0	0	0	109.5	S525 S529 M895	S525-P527 WeakPolarHBondContact O-CD 3.44Å; P527-S529 PolarHBondContact O-N 2.86Å; P527-M895 HydrophobicContact CG-SD 4.34Å
528	N	27	Very low	30.4	Very low	161 Å²	161	123.5 Å²	123.5	86%	0.861	67%	0.672	S	S	*	*			trans	-37.5	125.1	167.9	-65.3	-25.1	0	0	0	113.4
529	S	29.9	Very low	28.8	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	71%	0.705	S	S	*	*			trans	-161.3	124.5	143	65.2	0	0	0	0	111.1	P527 S531	P527-S529 PolarHBondContact O-N 2.86Å; S529-S531 PolarHBondContact O-N 2.6Å
530	D	26.7	Very low	27.6	Very low	165 Å²	165	133.4 Å²	133.4	88%	0.882	74%	0.738	S	S	*	*			trans	-41.1	117.7	157.2	-58.3	-59.6	0	0	0	111.8
531	S	26.4	Very low	26.8	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	75%	0.747	S	S	*	*			trans	162.8	88.4	140	64.5	0	0	0	0	110.2	S529	S529-S531 PolarHBondContact O-N 2.6Å
532	F	25.6	Very low	26.5	Very low	207 Å²	207	133.7 Å²	133.7	91%	0.908	76%	0.764	S	S	*	*			trans	-135.4	88.1	149.3	-110.6	-85.1	0	0	0	107.8
533	S	24.1	Very low	26.4	Very low	90 Å²	90	134.4 Å²	134.4	63%	0.629	77%	0.768	S	S	*	*			trans	-79.1	113.7	162.7	79.5	0	0	0	0	107.7	T535	S533-T535 WeakPolarHBondContact CB-OG1 2.95Å; S533-T535 PolarHBondContact O-N 2.78Å; S533-T535 PolarHBondContact OG-OG1 2.83Å
534	L	27.2	Very low	26.4	Very low	174 Å²	174	129.7 Å²	129.7	91%	0.911	76%	0.762	S	S	*	*			trans	-79	67	160.8	-85.2	157.8	0	0	0	107.8
535	T	24.5	Very low	26.5	Very low	96 Å²	96	134.2 Å²	134.2	59%	0.589	77%	0.773	S	S	*	*			trans	-130.7	81.3	170.8	53.3	0	0	0	0	107.1	S533	S533-T535 WeakPolarHBondContact CB-OG1 2.95Å; S533-T535 PolarHBondContact O-N 2.78Å; S533-T535 PolarHBondContact OG-OG1 2.83Å
536	N	25.9	Very low	26.5	Very low	157 Å²	157	140.7 Å²	140.7	84%	0.84	78%	0.783	S	S	*	*			trans	163.5	89.4	154.9	-85	-20.4	0	0	0	107.6
537	L	28.1	Very low	26.6	Very low	177 Å²	177	139.9 Å²	139.9	93%	0.927	79%	0.788	S	S	*	*			trans	-174.7	50.4	151	-95.9	148.3	0	0	0	109.7
538	H	25.2	Very low	26.7	Very low	189 Å²	189	142 Å²	142	88%	0.875	80%	0.802	S	S	*	*			trans	-96.8	106.1	146.4	-92.1	-79.1	0	0	0	105.8
539	T	28.9	Very low	26.7	Very low	125 Å²	125	141.7 Å²	141.7	77%	0.767	80%	0.801	S	S	*	*			trans	177.7	108.5	142.9	34.6	0	0	0	0	109.3
540	S	26.7	Very low	26.7	Very low	120 Å²	120	145.2 Å²	145.2	84%	0.839	81%	0.81	S	S	*	*			trans	57	119.9	137.2	56.1	0	0	0	0	120
541	G	26.6	Very low	26.7	Very low	75 Å²	75	141 Å²	141	77%	0.773	81%	0.805	S	S	*	*			trans	133.8	101.7	131.3	0	0	0	0	0	117
542	S	28.9	Very low	26.9	Very low	115 Å²	115	144 Å²	144	80%	0.804	81%	0.813	S	S	*	*			trans	69.2	106.2	140.2	-164	0	0	0	0	120.5
543	N	25	Very low	26.9	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	80%	0.795	S	S	*	*			trans	2.3	126	134.4	-64.1	-25.8	0	0	0	117.5
544	T	25.3	Very low	27.2	Very low	120 Å²	120	141.5 Å²	141.5	74%	0.736	80%	0.803	S	S	*	*				150.8	118	115.7	46	0	0	0	0	109.8
545	F	27.5	Very low	27.4	Very low	202 Å²	202	136.9 Å²	136.9	89%	0.886	79%	0.785	S	S	*	*				169.6	123.2	117.8	-105.6	-90.3	0	0	0	111.2
546	R	24.7	Very low	27.8	Very low	234 Å²	234	138.2 Å²	138.2	88%	0.883	79%	0.789	S	S	*	*			trans	-65.8	138.3	163.5	-72.2	173.1	174	-173.2	-3.1	109.6
547	S	27.4	Very low	28.2	Very low	119 Å²	119	138.1 Å²	138.1	83%	0.832	78%	0.783	S	S	*	*				-176.2	132.1	127.7	-95.5	0	0	0	0	111.3
548	P	28.5	Very low	28.2	Very low	110 Å²	110	136.2 Å²	136.2	71%	0.714	77%	0.771	S	S	*	*			trans	-86.7	162.1	169.6	36.2	-29.7	0	0	0	110.5
549	N	27.1	Very low	28.6	Very low	154 Å²	154	133.3 Å²	133.3	82%	0.824	76%	0.762	S	S	*	*			trans	90.7	99	176.3	-55.1	-30.4	0	0	0	117.2
550	L	31.1	Very low	28.6	Very low	180 Å²	180	134.4 Å²	134.4	94%	0.942	76%	0.763	S	S	*	*			trans	-150.8	92.6	144	-106	139.5	0	0	0	107.7
551	G	26.1	Very low	28.6	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-73.5	135.7	169.6	0	0	0	0	0	110.3
552	L	29.4	Very low	28.6	Very low	164 Å²	164	138.5 Å²	138.5	86%	0.859	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-89.7	142.2	163.8	-81.9	158.6	0	0	0	109.1
553	P	27.2	Very low	28.8	Very low	82 Å²	82	140.4 Å²	140.4	53%	0.532	76%	0.756	S	S	.	*	P	Polyproline II helix	trans	-76.6	147.5	-165.7	-6.8	24.8	0	0	0	112.6	S555	P553-S555 PolarHBondContact O-N 2.7Å
554	M	29.2	Very low	28.9	Very low	162 Å²	162	139.1 Å²	139.1	80%	0.798	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-2.9	-177.2	-135.9	176.5	175.6	0	0	115.6
555	S	32	Very low	28.9	Very low	77 Å²	77	139.1 Å²	139.1	54%	0.538	76%	0.76	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84	-20.1	-176.5	46	0	0	0	0	114.6	P553	P553-S555 PolarHBondContact O-N 2.7Å
556	D	33.8	Very low	29	Very low	123 Å²	123	135.5 Å²	135.5	66%	0.658	76%	0.755	S	S	*	*	S	Bend	trans	-89	-13.2	177.9	-75.1	-27.8	0	0	0	113.5
557	Q	33.4	Very low	29	Very low	156 Å²	156	130.8 Å²	130.8	73%	0.729	76%	0.758	S	S	*	*	S	Bend	trans	-81.3	-12.5	174.3	-77.7	-179.6	-33.7	0	0	113.6
558	M	28.6	Very low	29	Very low	136 Å²	136	128 Å²	128	67%	0.67	75%	0.748	S	S	*	*	S	Bend	trans	-91.9	-8.6	-176.3	-77.3	-92.3	-141.1	0	0	114.6
559	N	32.1	Very low	28.9	Very low	128 Å²	128	135 Å²	135	68%	0.684	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	3.8	-176.8	-84.2	-27.1	0	0	0	115.3
560	L	29.6	Very low	28.9	Very low	149 Å²	149	135.1 Å²	135.1	78%	0.78	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	0.6	172.8	-72.3	169.4	0	0	0	113.7
561	L	27.4	Very low	29.1	Very low	137 Å²	137	135 Å²	135	72%	0.717	75%	0.745	S	S	*	*	S	Bend	trans	-97.2	13.6	-175.7	-76.8	164.4	0	0	0	115
562	N	26.6	Very low	29.8	Very low	144 Å²	144	137 Å²	137	77%	0.77	73%	0.729	S	S	*	*			trans	-130.5	69.6	-179.2	-83.2	-28.3	0	0	0	112.8
563	I	32.3	Very low	30.6	Very low	154 Å²	154	135.1 Å²	135.1	79%	0.79	72%	0.716	S	S	*	*			trans	-136.7	130.7	163	-54.8	179.9	0	0	0	110.3
564	P	26.9	Very low	32.1	Very low	115 Å²	115	134.1 Å²	134.1	75%	0.747	70%	0.703	S	S	*	*			trans	-79	149.4	-166.5	-8	26.4	0	0	0	114.3	T566	P564-T566 PolarHBondContact O-N 2.89Å
565	S	26	Very low	33.7	Very low	120 Å²	120	127.4 Å²	127.4	84%	0.839	67%	0.674	S	S	*	*			trans	-56.4	118.1	179.7	59.6	0	0	0	0	114.5
566	T	29.2	Very low	35.6	Very low	127 Å²	127	129 Å²	129	78%	0.779	67%	0.668	S	S	*	*			trans	-136.9	104.7	158.5	45	0	0	0	0	110.7	P564 G568	P564-T566 PolarHBondContact O-N 2.89Å; T566-G568 PolarHBondContact O-N 3.24Å
567	S	26.1	Very low	38.2	Very low	135 Å²	135	123.1 Å²	123.1	94%	0.944	64%	0.636	S	S	*	*			trans	11.7	54.6	158.1	62.7	0	0	0	0	121.3
568	G	25.9	Very low	40.8	Very low	61 Å²	61	115.7 Å²	115.7	63%	0.629	60%	0.602	S	S	*	*			trans	-108.3	125.8	160	0	0	0	0	0	110	T566 M570	T566-G568 PolarHBondContact O-N 3.24Å; G568-M570 PolarHBondContact O-N 3.18Å
569	R	28.1	Very low	43.7	Very low	255 Å²	255	110.1 Å²	110.1	96%	0.962	58%	0.576	S	S	*	*			trans	-61.5	101.6	172.9	-104.3	-178.7	175.9	175	-1.3	108.8	R571	R569-R571 PolarHBondContact O-N 3.37Å
570	M	25.1	Very low	46.6	Very low	158 Å²	158	104 Å²	104	78%	0.778	54%	0.543	S	S	*	.			trans	-53.4	125.3	166.8	-77.9	178.2	-167.3	0	0	109	L520 G568	L520-M570 HydrophobicContact CD2-SD 4.32Å; G568-M570 PolarHBondContact O-N 3.18Å
571	R	36.5	Very low	49.5	Very low	178 Å²	178	98.9 Å²	98.9	67%	0.672	52%	0.515	S	S	*	.			trans	-108.8	105.3	178.7	-148.7	177.2	-169.8	-178.8	2.3	108.1	R569 Q573	R569-R571 PolarHBondContact O-N 3.37Å; R571-Q573 PolarHBondContact O-N 2.86Å
572	R	41.5	Very low	52.5	Low	117 Å²	117	92.3 Å²	92.3	44%	0.442	48%	0.481	S	S	.	.			trans	-65.4	122.4	176.3	-62.8	174.4	176.1	167.5	-3.3	108.6	P509 P513	P509-R572 HydrophobicContact CB-CB 3.48Å; P509-R572 VanDerWaalsContact CB-CB 3.48Å; P509-R572 HydrophobicContact CB-CG 4.1Å; P509-R572 HydrophobicContact CG-CB 4.05Å; P509-R572 PolarHBondContact O-NH1 3.39Å; P513-R572 VanDerWaalsContact CB-NH1 3.3Å
573	Q	44.8	Very low	55.5	Low	123 Å²	123	89.3 Å²	89.3	58%	0.575	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	139.8	173.1	-80.1	-171.4	-13.7	0	0	110.3	R571	R571-Q573 PolarHBondContact O-N 2.86Å
574	F	59.5	Low	58.2	Low	62 Å²	62	83.3 Å²	83.3	27%	0.272	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.3	-179	-160.2	-93.2	0	0	0	110	P478 I507 P509 F517	P478-F574 HydrophobicContact CG-CE1 4.11Å; P478-F574 HydrophobicContact CG-CE2 4.3Å; P478-F574 HydrophobicContact CG-CZ 3.37Å; I507-F574 WeakPolarHBondContact O-CE2 3.05Å; P509-F574 HydrophobicContact CG-CD2 3.93Å; F517-F574 HydrophobicContact CB-CE2 3.5Å; F517-F574 HydrophobicContact CB-CZ 3.52Å; F517-F574 HydrophobicContact CG-CE2 4.5Å; F517-F574 HydrophobicContact CG-CZ 4.16Å
575	A	63.1	Low	61.1	Low	21 Å²	21	81.9 Å²	81.9	17%	0.174	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-70.1	132.1	171.1	0	0	0	0	0	109.2	H337 V519	H337-A575 PolarHBondContact CE1-O 2.84Å; V519-A575 HydrophobicContact CG2-CB 4.07Å
576	R	72.1	Confident	64	Low	109 Å²	109	83.5 Å²	83.5	41%	0.411	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-64.1	137.5	-179.2	-63.4	179.3	-169.9	174.1	6.5	109.9	E331 H337 R475	E331-R576 WeakPolarHBondContact OE2-CB 3.14Å; E331-R576 WeakPolarHBondContact OE2-CD 3.43Å; H337-R576 PolarHBondContact NE2-O 3.12Å; R475-R576 VanDerWaalsContact NH2-NH2 3.14Å
577	L	87.4	Confident	66.6	Low	0 Å²	0	80.3 Å²	80.3	0%	0	38%	0.382	C	S	.	.			trans	-80.1	-29.9	169.5	-71.3	-178.3	0	0	0	112.1	E331 W332 W358 I446 L476 P478 F517	E331-L577 CarbonylContact C-O 3.52Å; E331-L577 WeakPolarHBondContact CA-O 2.88Å; E331-L577 PolarHBondContact N-O 3.28Å; W332-L577 HydrophobicContact CB-CD2 4.16Å; W332-L577 HydrophobicContact CG-CD2 3.98Å; W332-L577 PolarHBondContact N-O 2.93Å; W358-L577 HydrophobicContact CZ2-CB 4.38Å; W358-L577 WeakPolarHBondContact CZ2-O 3.4Å; I446-L577 HydrophobicContact CD1-CD1 3.83Å; L476-L577 HydrophobicContact CB-CB 4.34Å; P478-L577 HydrophobicContact CB-CD1 3.72Å; P478-L577 VanDerWaalsContact CD-CD1 3.47Å; P478-L577 HydrophobicContact CG-CD1 3.68Å; P478-L577 HydrophobicContact CG-CG 4.38Å; F517-L577 HydrophobicContact CD1-CD2 3.92Å; F517-L577 HydrophobicContact CE1-CD2 3.77Å
578	G	88.1	Confident	69	Low	0 Å²	0	76.4 Å²	76.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	-179	-176.5	0	0	0	0	0	112	Q329 L476	Q329-G578 CarbonylContact O-C 3.37Å; Q329-G578 WeakPolarHBondContact O-CA 3.39Å; L476-G578 PolarHBondContact N-O 2.63Å
579	T	90.2	Very high	70.5	Confident	20 Å²	20	80.3 Å²	80.3	12%	0.123	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.2	178.6	59.8	0	0	0	0	111.1	Q329 F474	Q329-T579 PolarHBondContact N-O 2.92Å; Q329-T579 PolarHBondContact O-N 3.19Å; F474-T579 CarbonylContact O-C 3.6Å; F474-T579 WeakPolarHBondContact O-CA 3.16Å
580	V	91.4	Very high	71.6	Confident	0 Å²	0	77 Å²	77	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.2	171	-178.5	0	0	0	0	108.6	L326 I327 I328 F442 L456 Q473 F474 L476 L582	L326-V580 HydrophobicContact CD1-CG1 3.29Å; I327-V580 CarbonylContact O-C 3.47Å; I327-V580 VanDerWaalsContact O-CA 3.32Å; I327-V580 WeakPolarHBondContact O-CA 3.48Å; I328-V580 HydrophobicContact CG1-CG2 4.38Å; F442-V580 HydrophobicContact CE1-CG1 4.22Å; F442-V580 HydrophobicContact CE1-CG2 3.88Å; F442-V580 HydrophobicContact CZ-CG2 3.57Å; L456-V580 HydrophobicContact CD1-CB 4.01Å; L456-V580 HydrophobicContact CD1-CG1 3.86Å; L456-V580 HydrophobicContact CD1-CG2 4.07Å; L456-V580 HydrophobicContact CG-CG2 4.35Å; Q473-V580 CarbonylContact C-O 3.41Å; Q473-V580 VanDerWaalsContact CA-O 3.29Å; Q473-V580 WeakPolarHBondContact CA-O 3.25Å; F474-V580 HydrophobicContact CB-CB 4.31Å; F474-V580 PolarHBondContact N-O 2.86Å; F474-V580 PolarHBondContact O-N 3.39Å; L476-V580 HydrophobicContact CD1-CG2 3.76Å; L476-V580 HydrophobicContact CD2-CG2 3.67Å; L476-V580 HydrophobicContact CG-CG2 3.7Å; V580-L582 HydrophobicContact CG1-CD2 4.15Å
581	E	92.1	Very high	72.7	Confident	40 Å²	40	74 Å²	74	19%	0.187	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.8	173.4	-178.2	174.9	162.6	0	0	110	L326 I327 R471 M472	L326-E581 CarbonylContact C-O 3.14Å; I327-E581 HydrophobicContact CB-CB 4.31Å; I327-E581 PolarHBondContact N-O 2.91Å; I327-E581 PolarHBondContact O-N 3.37Å; R471-E581 HydrophobicContact CG-CG 4.34Å; R471-E581 IonicContact CZ-OE1 3.14Å; R471-E581 IonicContact CZ-OE2 2.96Å; R471-E581 VanDerWaalsContact NE-CD 3.26Å; R471-E581 IonicContact NE-OE1 2.84Å; R471-E581 PolarHBondContact NE-OE1 3.28Å; R471-E581 IonicContact NE-OE2 3.72Å; R471-E581 IonicContact NH2-OE1 2.7Å; R471-E581 PolarHBondContact NH2-OE1 3.26Å; R471-E581 IonicContact NH2-OE2 2.73Å; R471-E581 PolarHBondContact NH2-OE2 2.99Å; M472-E581 CarbonylContact O-C 3.47Å; M472-E581 WeakPolarHBondContact O-CA 3.25Å
582	L	90.2	Very high	72.7	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.9	171.3	-48.1	-177.2	0	0	0	107.6	Y324 R325 L326 F431 L440 I461 R471 M472 F474 V580	Y324-L582 HydrophobicContact CD1-CB 4.06Å; R325-L582 WeakPolarHBondContact O-CA 3.33Å; L326-L582 HydrophobicContact CB-CD2 4.4Å; L326-L582 HydrophobicContact CD1-CD2 3.36Å; L326-L582 HydrophobicContact CG-CD2 4.48Å; F431-L582 HydrophobicContact CE1-CD2 3.98Å; F431-L582 HydrophobicContact CZ-CD1 4.34Å; F431-L582 HydrophobicContact CZ-CD2 4.04Å; L440-L582 HydrophobicContact CD2-CD1 3.84Å; L440-L582 HydrophobicContact CD2-CD2 3.7Å; L440-L582 HydrophobicContact CD2-CG 4.45Å; I461-L582 HydrophobicContact CD1-CD1 3.77Å; I461-L582 HydrophobicContact CG1-CD1 4.15Å; R471-L582 CarbonylContact C-O 3.51Å; R471-L582 WeakPolarHBondContact CA-O 3.45Å; M472-L582 HydrophobicContact CB-CB 4.18Å; M472-L582 HydrophobicContact CB-CD1 4.16Å; M472-L582 HydrophobicContact CB-CG 4.27Å; M472-L582 PolarHBondContact N-O 3.43Å; M472-L582 PolarHBondContact O-N 3.26Å; M472-L582 HydrophobicContact SD-CD1 4.08Å; F474-L582 HydrophobicContact CE2-CD1 3.9Å; F474-L582 HydrophobicContact CE2-CG 4.23Å; V580-L582 HydrophobicContact CG1-CD2 4.15Å
583	E	89.7	Confident	72.9	Confident	80 Å²	80	68.8 Å²	68.8	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.6	178.3	-178.9	-175.2	-167.8	0	0	109.1	Y324 R325 L585	Y324-E583 CarbonylContact C-O 3.58Å; Y324-E583 VanDerWaalsContact CA-O 3.32Å; Y324-E583 WeakPolarHBondContact CA-O 3.48Å; R325-E583 HydrophobicContact CB-CB 4.36Å; R325-E583 PolarHBondContact N-O 3.15Å; R325-E583 PolarHBondContact O-N 3.44Å; E583-L585 PolarHBondContact O-N 3.23Å
584	L	88.9	Confident	72.5	Confident	29 Å²	29	66.7 Å²	66.7	15%	0.152	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	120.9	176.2	-179.3	69.3	0	0	0	109.7	A322 Y324 W468 L470 I587	A322-L584 HydrophobicContact CB-CD1 3.75Å; Y324-L584 HydrophobicContact CD1-CB 4.21Å; Y324-L584 HydrophobicContact CD2-CD1 4.2Å; Y324-L584 HydrophobicContact CE1-CB 3.77Å; Y324-L584 HydrophobicContact CE1-CD1 4.1Å; Y324-L584 HydrophobicContact CE2-CD1 3.73Å; W468-L584 HydrophobicContact CB-CD1 4.49Å; L470-L584 HydrophobicContact CD2-CD2 3.94Å; L470-L584 WeakPolarHBondContact O-CB 3.32Å; L470-L584 PolarHBondContact O-N 2.81Å; L584-I587 HydrophobicContact CD1-CG1 4.31Å; L584-I587 HydrophobicContact CD2-CD1 4.23Å; L584-I587 HydrophobicContact CD2-CG1 4.24Å
585	L	88.2	Confident	71.3	Confident	85 Å²	85	69.7 Å²	69.7	45%	0.445	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-47.2	178.7	-65.4	-176	0	0	0	112.6	I323 R325 L430 E583	I323-L585 PolarHBondContact O-N 2.88Å; R325-L585 HydrophobicContact CB-CD1 4.03Å; R325-L585 HydrophobicContact CB-CD2 4.05Å; R325-L585 HydrophobicContact CB-CG 3.99Å; L430-L585 HydrophobicContact CD1-CD1 4.42Å; L430-L585 HydrophobicContact CD2-CD1 3.42Å; L430-L585 VanDerWaalsContact CD2-CD1 3.42Å; E583-L585 PolarHBondContact O-N 3.23Å
586	R	85.4	Confident	69.8	Low	154 Å²	154	77.3 Å²	77.3	58%	0.581	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.1	160.3	179.7	67	179.1	-169.1	-164.7	-6.2	111.6	I323 N588	I323-R586 HydrophobicContact CB-CG 4.1Å; I323-R586 HydrophobicContact CD1-CG 4.17Å; I323-R586 VanDerWaalsContact CD1-NE 3.32Å; I323-R586 HydrophobicContact CG1-CG 4.24Å; I323-R586 PolarHBondContact N-O 2.77Å; I323-R586 PolarHBondContact O-N 3.39Å; R586-N588 PolarHBondContact NE-OD1 2.95Å; R586-N588 VanDerWaalsContact NE-OD1 3.12Å
587	I	84.8	Confident	67.7	Low	60 Å²	60	77.4 Å²	77.4	31%	0.308	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.2	168.1	-60.1	170.7	0	0	0	106.4	N320 A322 L584 E589	N320-I587 HydrophobicContact CB-CG2 3.51Å; A322-I587 HydrophobicContact CB-CG1 4.33Å; L584-I587 HydrophobicContact CD1-CG1 4.31Å; L584-I587 HydrophobicContact CD2-CD1 4.23Å; L584-I587 HydrophobicContact CD2-CG1 4.24Å; I587-E589 PolarHBondContact O-N 3.44Å
588	N	76.9	Confident	65.1	Low	53 Å²	53	83.4 Å²	83.4	28%	0.283	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	108.8	179	-67.1	-18.2	0	0	0	108.8	N320 T321 R586 H590	N320-N588 WeakPolarHBondContact CB-O 3.29Å; T321-N588 PolarHBondContact O-N 3.43Å; R586-N588 PolarHBondContact NE-OD1 2.95Å; R586-N588 VanDerWaalsContact NE-OD1 3.12Å; N588-H590 PolarHBondContact O-N 3.34Å; N588-H590 VanDerWaalsContact O-N 3.14Å
589	E	57.3	Low	62.3	Low	142 Å²	142	91.8 Å²	91.8	66%	0.664	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	3.3	-174.9	-61.7	179.9	169.5	0	0	114.4	I587	I587-E589 PolarHBondContact O-N 3.44Å
590	H	49.7	Very low	59.4	Low	185 Å²	185	97.6 Å²	97.6	86%	0.856	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	0.4	-172	-69.2	-62.8	0	0	0	115.5	N588	N588-H590 PolarHBondContact O-N 3.34Å; N588-H590 VanDerWaalsContact O-N 3.14Å
591	E	49	Very low	56.6	Low	96 Å²	96	104.4 Å²	104.4	45%	0.449	54%	0.544	S	S	.	.	S	Bend	trans	-97.1	89.7	169	-81	174.3	153.3	0	0	108.8	N320 T321 C593	N320-E591 PolarHBondContact OD1-O 3.35Å; T321-E591 VanDerWaalsContact CB-OE2 3.32Å; T321-E591 WeakPolarHBondContact CB-OE2 3.17Å; T321-E591 PolarHBondContact N-OE2 3.16Å; T321-E591 VanDerWaalsContact N-OE2 3.11Å; T321-E591 PolarHBondContact OG1-OE2 2.9Å; E591-C593 PolarHBondContact O-N 3.36Å; E591-C593 VanDerWaalsContact O-N 3.12Å
592	S	37.5	Very low	53.7	Low	106 Å²	106	110.7 Å²	110.7	74%	0.741	57%	0.574	S	S	*	*			trans	-53.4	121.3	168.7	49.9	0	0	0	0	108.7	A594	S592-A594 PolarHBondContact O-N 2.95Å
593	C	44.8	Very low	50.8	Low	79 Å²	79	113.7 Å²	113.7	53%	0.534	60%	0.598	S	S	.	*			trans	-59.8	85.8	167	-105.8	0	0	0	0	108.1	C319 E591 T595	C319-C593 VanDerWaalsContact CA-SG 3.51Å; C319-C593 HydrophobicContact CB-CB 4.13Å; C319-C593 WeakPolarHBondContact CB-SG 3.09Å; C319-C593 WeakPolarHBondContact SG-CB 3.44Å; C319-C593 CovalentContact SG-SG 2.04Å; C319-C593 PolarHBondContact SG-SG 3.46Å; E591-C593 PolarHBondContact O-N 3.36Å; E591-C593 VanDerWaalsContact O-N 3.12Å; C593-T595 VanDerWaalsContact C-N 3.34Å; C593-T595 PolarHBondContact O-N 3.43Å
594	A	37	Very low	48	Very low	80 Å²	80	117.6 Å²	117.6	66%	0.661	62%	0.618	S	S	*	*			trans	-66.2	104.6	163.4	0	0	0	0	0	104.4	S592 E596	S592-A594 PolarHBondContact O-N 2.95Å; A594-E596 PolarHBondContact O-N 3.44Å
595	T	33.1	Very low	45.2	Very low	125 Å²	125	121 Å²	121	77%	0.767	65%	0.645	S	S	*	*			trans	-56.8	90	150.5	35.4	0	0	0	0	105.4	C593 V597	C593-T595 VanDerWaalsContact C-N 3.34Å; C593-T595 PolarHBondContact O-N 3.43Å; T595-V597 PolarHBondContact O-N 2.7Å
596	E	31.2	Very low	42.5	Very low	180 Å²	180	126 Å²	126	84%	0.841	66%	0.663	S	S	*	*			trans	-57.7	86.9	141.7	-78	-174.5	165.7	0	0	104.1	A594 L598	A594-E596 PolarHBondContact O-N 3.44Å; E596-L598 PolarHBondContact O-N 3.44Å
597	V	29.7	Very low	39.8	Very low	111 Å²	111	123.1 Å²	123.1	67%	0.673	67%	0.672	S	S	*	*			trans	-48.3	107.6	150.1	175.5	0	0	0	0	102.4	T595 Q599	T595-V597 PolarHBondContact O-N 2.7Å; V597-Q599 VanDerWaalsContact C-N 3.33Å; V597-Q599 PolarHBondContact O-N 2.62Å
598	L	32.3	Very low	37.4	Very low	127 Å²	127	125.6 Å²	125.6	67%	0.665	69%	0.694	S	S	*	*			trans	-41.6	109	168.1	-86.4	156.8	0	0	0	105.7	E596 E600	E596-L598 PolarHBondContact O-N 3.44Å; L598-E600 PolarHBondContact O-N 2.88Å
599	Q	29	Very low	35.2	Very low	176 Å²	176	129.5 Å²	129.5	82%	0.822	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	28.9	-179	-87.8	-177.2	-18.5	0	0	111.1	V597	V597-Q599 VanDerWaalsContact C-N 3.33Å; V597-Q599 PolarHBondContact O-N 2.62Å
600	E	30.4	Very low	33.9	Very low	142 Å²	142	131.6 Å²	131.6	66%	0.664	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-21.1	-174.9	-66.6	-170.9	143.1	0	0	112	L598 A603	L598-E600 PolarHBondContact O-N 2.88Å; E600-A603 PolarHBondContact O-N 3.48Å
601	D	30.9	Very low	32.9	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-3	174.4	-80.9	-19.6	0	0	0	115.1
602	Q	32.6	Very low	32.1	Very low	173 Å²	173	136 Å²	136	81%	0.808	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	0.8	168.4	-71.9	-172.3	-6.7	0	0	113.5
603	A	29.5	Very low	31.8	Very low	62 Å²	62	141.8 Å²	141.8	51%	0.512	75%	0.749	S	S	.	*	S	Bend	trans	-91.5	-10.3	178.2	0	0	0	0	0	113.9	E600	E600-A603 PolarHBondContact O-N 3.48Å
604	M	29.3	Very low	31.1	Very low	162 Å²	162	145 Å²	145	80%	0.798	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	11.6	177.5	-80.1	-169.6	67.3	0	0	115.6
605	S	31.2	Very low	31.1	Very low	101 Å²	101	146.5 Å²	146.5	71%	0.706	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	8.6	170.7	84.7	0	0	0	0	115.1
606	K	31.4	Very low	31.3	Very low	191 Å²	191	151.6 Å²	151.6	83%	0.83	77%	0.774	S	S	*	*	S	Bend	trans	-138.6	46.8	180	-73.2	-176.1	-180	171.9	0	112.8
607	A	28.4	Very low	31.4	Very low	92 Å²	92	146.6 Å²	146.6	76%	0.76	77%	0.77	S	S	*	*			trans	-152.8	50.6	168.1	0	0	0	0	0	112.1
608	S	33.8	Very low	31.6	Very low	112 Å²	112	145.1 Å²	145.1	78%	0.783	78%	0.778	S	S	*	*			trans	-121.4	91.2	159.3	64.1	0	0	0	0	109.1
609	N	32	Very low	31.9	Very low	136 Å²	136	144 Å²	144	73%	0.727	78%	0.78	S	S	*	*			trans	11.6	121.2	136.7	-78.8	-38.6	0	0	0	117.4
610	F	28.8	Very low	32.2	Very low	186 Å²	186	143.7 Å²	143.7	82%	0.816	78%	0.777	S	S	*	*			trans	69.8	121.5	143.3	-79.2	-91.1	0	0	0	118.5	R612	F610-R612 PolarHBondContact O-N 2.73Å
611	P	29.1	Very low	32.5	Very low	127 Å²	127	142.1 Å²	142.1	83%	0.825	77%	0.773	S	S	*	*			trans	-74	124.3	-177	30.1	-31.1	0	0	0	110.7
612	R	32.6	Very low	32.6	Very low	247 Å²	247	140.4 Å²	140.4	93%	0.932	77%	0.768	S	S	*	*			trans	-85.3	118.2	157.7	-92	-173.5	176.8	-174.4	-0.8	109	F610	F610-R612 PolarHBondContact O-N 2.73Å
613	R	30.1	Very low	32.8	Very low	226 Å²	226	142.5 Å²	142.5	85%	0.853	77%	0.768	S	S	*	*			trans	-36.3	131.8	156	-87.4	175.3	166.5	178.6	-4.5	110.7
614	D	30.8	Very low	32.9	Very low	148 Å²	148	145.5 Å²	145.5	79%	0.791	78%	0.78	S	S	*	*				175.6	113.6	115.7	-79.2	-24.7	0	0	0	108.8
615	S	36.7	Very low	33.1	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	77%	0.771	S	S	*	*			trans	168.2	114.9	133.6	-76.4	0	0	0	0	112.7
616	Y	36.8	Very low	33.1	Very low	232 Å²	232	142.1 Å²	142.1	91%	0.91	78%	0.776	S	S	*	*			trans	55.5	106.1	142.3	-83.5	-93.7	0	0	0	121.2
617	G	34.5	Very low	33.2	Very low	75 Å²	75	138.2 Å²	138.2	77%	0.773	77%	0.769	S	S	*	*				84	111.2	116.8	0	0	0	0	0	117.6
618	G	32.8	Very low	33.4	Very low	80 Å²	80	142 Å²	142	83%	0.825	77%	0.771	S	S	*	*			trans	-59.6	-176.8	170.1	0	0	0	0	0	113.9
619	S	38.1	Very low	33.5	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	77%	0.766	S	S	*	*			cis	-173.7	155.2	26.8	-177.4	0	0	0	0	108
620	F	36.2	Very low	33.7	Very low	170 Å²	170	141.8 Å²	141.8	75%	0.746	77%	0.769	S	S	*	*			trans	74.7	99.6	148.1	-102.6	-117.9	0	0	0	119.7
621	D	36.4	Very low	34	Very low	109 Å²	109	137.2 Å²	137.2	58%	0.583	77%	0.765	S	S	*	*				116.9	131.3	89.9	-115.5	16.7	0	0	0	119.9
622	T	34.3	Very low	34.3	Very low	106 Å²	106	141 Å²	141	65%	0.65	77%	0.769	S	S	*	*			trans	70.5	110.3	141.7	41.5	0	0	0	0	122.7
623	R	35.2	Very low	34.4	Very low	217 Å²	217	140.8 Å²	140.8	82%	0.819	77%	0.768	S	S	*	*				101.1	114.7	112.2	-100.6	-167.4	154.4	162	-7.6	120.5
624	T	32.7	Very low	34.5	Very low	126 Å²	126	134.6 Å²	134.6	77%	0.773	77%	0.765	S	S	*	*				72.7	128.7	123	53	0	0	0	0	121.9
625	G	32.5	Very low	35	Very low	59 Å²	59	133.5 Å²	133.5	61%	0.608	77%	0.766	S	S	*	*				137.3	100.2	115.1	0	0	0	0	0	116.8
626	T	33	Very low	34.7	Very low	132 Å²	132	132.5 Å²	132.5	81%	0.81	76%	0.764	S	S	*	*				45.5	142.1	115.4	57.4	0	0	0	0	119.1
627	T	31.8	Very low	34.7	Very low	110 Å²	110	128.6 Å²	128.6	68%	0.675	76%	0.759	S	S	*	*			cis	174	156.1	14	22.4	0	0	0	0	108.2
628	E	33.7	Very low	34.7	Very low	171 Å²	171	133.1 Å²	133.1	80%	0.799	76%	0.764	S	S	*	*			trans	68.4	120.3	137.1	-74.2	175.1	161.8	0	0	124.5
629	S	34.8	Very low	34.9	Very low	99 Å²	99	136.7 Å²	136.7	69%	0.692	76%	0.764	S	S	*	*				97.1	138.1	116.2	88.3	0	0	0	0	123.6
630	D	36.7	Very low	35	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	76%	0.761	S	S	*	*			trans	93.8	97.3	145.4	-57.4	-39.1	0	0	0	123.1
631	A	34.3	Very low	35.4	Very low	89 Å²	89	131.5 Å²	131.5	74%	0.736	77%	0.765	S	S	*	*				53.2	112.8	120.9	0	0	0	0	0	120.9
632	K	35.4	Very low	36.3	Very low	208 Å²	208	136.3 Å²	136.3	90%	0.904	78%	0.775	S	S	*	*				163.7	141.2	114.4	-91	168.6	-179	172.3	0	112.7
633	R	35.1	Very low	37.7	Very low	242 Å²	242	132.9 Å²	132.9	91%	0.913	75%	0.754	S	S	*	*			trans	90.4	100.2	142.8	-163.7	174.3	-95.5	-179.9	-9	119.7
634	A	33.1	Very low	39.2	Very low	95 Å²	95	128.2 Å²	128.2	79%	0.785	74%	0.742	S	S	*	*			trans	58.2	150.8	138.4	0	0	0	0	0	122.1
635	P	40.1	Very low	41.2	Very low	126 Å²	126	124.1 Å²	124.1	82%	0.818	72%	0.715	S	S	*	*			trans	-106.5	135.1	-156.9	37	-25	0	0	0	114.2
636	A	32	Very low	43.4	Very low	88 Å²	88	122.8 Å²	122.8	73%	0.727	70%	0.697	S	S	*	*			trans	178.4	115	152	0	0	0	0	0	107.9
637	D	36.7	Very low	45.6	Very low	150 Å²	150	125.1 Å²	125.1	80%	0.802	70%	0.698	S	S	*	*			trans	-159.5	107.1	145.4	-102.8	-21.4	0	0	0	110.5	L639	D637-L639 HydrophobicContact CB-CD1 4.26Å; D637-L639 PolarHBondContact O-N 2.91Å
638	L	34	Very low	48.2	Very low	170 Å²	170	122.6 Å²	122.6	89%	0.89	68%	0.676	S	S	*	*			trans	-56.8	121.7	158.7	-85.6	77.7	0	0	0	108.6
639	L	37.8	Very low	50.5	Low	156 Å²	156	116.3 Å²	116.3	82%	0.817	65%	0.651	S	S	*	*			trans	-143	95.7	163.3	-101.2	114.7	0	0	0	112.1	D637	D637-L639 HydrophobicContact CB-CD1 4.26Å; D637-L639 PolarHBondContact O-N 2.91Å
640	G	39.3	Very low	52.8	Low	64 Å²	64	117.4 Å²	117.4	66%	0.66	66%	0.656	S	S	*	*			trans	76.1	79.3	137.4	0	0	0	0	0	118.2	R642	G640-R642 VanDerWaalsContact C-N 3.35Å; G640-R642 PolarHBondContact O-N 3.33Å
641	A	44.3	Very low	55	Low	99 Å²	99	114.7 Å²	114.7	82%	0.818	64%	0.635	S	S	*	*			trans	-67.1	95	155.4	0	0	0	0	0	108.4
642	R	56.2	Low	57	Low	210 Å²	210	111.3 Å²	111.3	79%	0.792	61%	0.606	S	S	*	*			trans	-82	134.8	176.2	-70.8	-176.5	-176.8	179.6	1.8	110	G640 H644	G640-R642 VanDerWaalsContact C-N 3.35Å; G640-R642 PolarHBondContact O-N 3.33Å; R642-H644 PolarHBondContact O-CD2 3.08Å; R642-H644 PolarHBondContact O-N 3.14Å
643	C	62.6	Low	58.9	Low	34 Å²	34	105.4 Å²	105.4	23%	0.23	59%	0.589	C	S	.	*			trans	-47.9	127.9	166	168.9	0	0	0	0	112.1	C693	C643-C693 HydrophobicContact CB-CB 3.87Å; C643-C693 WeakPolarHBondContact CB-SG 3.02Å; C643-C693 WeakPolarHBondContact SG-CA 3.23Å; C643-C693 WeakPolarHBondContact SG-CB 3.42Å; C643-C693 CovalentContact SG-SG 2.03Å; C643-C693 PolarHBondContact SG-SG 3.48Å
644	H	66.7	Low	60.8	Low	119 Å²	119	94.4 Å²	94.4	55%	0.551	55%	0.549	S	S	*	.			trans	-110.4	109.1	177.2	-73.6	-82.7	0	0	0	110.8	R642 I685	R642-H644 PolarHBondContact O-CD2 3.08Å; R642-H644 PolarHBondContact O-N 3.14Å; H644-I685 HydrophobicContact CB-CB 4.39Å; H644-I685 WeakPolarHBondContact O-CB 3.48Å; H644-I685 PolarHBondContact O-N 2.95Å
645	L	74.5	Confident	62.5	Low	41 Å²	41	91.6 Å²	91.6	22%	0.215	52%	0.522	C	S	.	.	B	Isolated β-bridge	trans	-102.2	149.3	176.8	-60.7	170.7	0	0	0	110.6	I685 A696 L698	L645-I685 VanDerWaalsContact O-CD1 3.31Å; L645-I685 WeakPolarHBondContact O-CD1 3.33Å; L645-A696 HydrophobicContact CD1-CB 3.63Å; L645-A696 HydrophobicContact CD2-CB 4.26Å; L645-L698 HydrophobicContact CD2-CD2 4.28Å
646	S	79.2	Confident	64.1	Low	31 Å²	31	89.8 Å²	89.8	22%	0.217	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-63.8	160.2	174.7	83.5	0	0	0	0	110.6	R682 H683	S646-R682 WeakPolarHBondContact OG-CA 3.36Å; S646-R682 WeakPolarHBondContact OG-CB 3.26Å; S646-H683 WeakPolarHBondContact CB-O 3.3Å; S646-H683 PolarHBondContact N-O 3.32Å; S646-H683 PolarHBondContact OG-N 2.03Å
647	E	80	Confident	66.2	Low	180 Å²	180	86.7 Å²	86.7	84%	0.841	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-58.4	150.9	164.3	-66.5	-168.6	164.3	0	0	110.2
648	W	86.1	Confident	68.3	Low	57 Å²	57	81.8 Å²	81.8	22%	0.216	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-67.5	136.9	173.3	-75.8	106.4	0	0	0	110.2	R680 R682 K697 E700	W648-R680 HydrophobicContact CD2-CG 4.15Å; W648-R680 HydrophobicContact CE3-CB 4.2Å; W648-R680 HydrophobicContact CE3-CG 3.58Å; W648-R680 HydrophobicContact CZ3-CG 4.07Å; W648-R682 HydrophobicContact CD2-CB 4.16Å; W648-R682 HydrophobicContact CD2-CG 4.07Å; W648-R682 HydrophobicContact CE3-CB 3.92Å; W648-R682 HydrophobicContact CE3-CG 3.88Å; W648-R682 HydrophobicContact CH2-CG 3.9Å; W648-R682 HydrophobicContact CZ2-CG 4.09Å; W648-R682 HydrophobicContact CZ3-CB 4.27Å; W648-R682 HydrophobicContact CZ3-CG 3.81Å; W648-K697 WeakPolarHBondContact CH2-O 3.01Å; W648-E700 HydrophobicContact CH2-CB 4.07Å; W648-E700 HydrophobicContact CH2-CG 3.47Å; W648-E700 VanDerWaalsContact CH2-CG 3.47Å; W648-E700 HydrophobicContact CZ2-CG 3.85Å; W648-E700 WeakPolarHBondContact CZ2-OE1 3.02Å; W648-E700 HydrophobicContact CZ3-CB 4.14Å; W648-E700 HydrophobicContact CZ3-CG 4.07Å
649	S	81.7	Confident	70.7	Confident	40 Å²	40	76.5 Å²	76.5	28%	0.28	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-55	152	166.5	75.9	0	0	0	0	110.2	R680 T681	S649-R680 WeakPolarHBondContact O-CB 3.36Å; S649-R680 WeakPolarHBondContact OG-CA 3.47Å; S649-T681 WeakPolarHBondContact CB-O 3.02Å; S649-T681 PolarHBondContact N-O 2.76Å; S649-T681 PolarHBondContact OG-N 3.17Å
650	P	83.2	Confident	72.9	Confident	121 Å²	121	75.9 Å²	75.9	79%	0.786	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-51	146.4	163.5	-24	33.8	0	0	0	110
651	W	83.9	Confident	75	Confident	88 Å²	88	75.6 Å²	75.6	33%	0.333	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-61.6	138.6	175.1	-76.1	109.3	0	0	0	111.2	M678 R680 E700 K702	W651-M678 HydrophobicContact CB-CE 3.17Å; W651-M678 HydrophobicContact CD2-CE 3.35Å; W651-M678 HydrophobicContact CD2-CG 4.28Å; W651-M678 HydrophobicContact CD2-SD 4.41Å; W651-M678 HydrophobicContact CE3-CB 4Å; W651-M678 HydrophobicContact CE3-CE 3.67Å; W651-M678 HydrophobicContact CE3-CG 3.63Å; W651-M678 HydrophobicContact CE3-SD 4.33Å; W651-M678 HydrophobicContact CG-CE 3.14Å; W651-M678 HydrophobicContact CZ3-CG 3.93Å; W651-R680 HydrophobicContact CD2-CB 4.24Å; W651-R680 HydrophobicContact CD2-CG 4.11Å; W651-R680 HydrophobicContact CE3-CB 4.05Å; W651-R680 HydrophobicContact CE3-CG 3.93Å; W651-R680 HydrophobicContact CH2-CG 3.92Å; W651-R680 HydrophobicContact CZ2-CG 4.12Å; W651-R680 HydrophobicContact CZ3-CB 4.39Å; W651-R680 HydrophobicContact CZ3-CG 3.84Å; W651-E700 HydrophobicContact CH2-CB 4.22Å; W651-K702 HydrophobicContact CH2-CB 3.52Å; W651-K702 HydrophobicContact CH2-CD 4.37Å; W651-K702 HydrophobicContact CZ2-CB 4.22Å; W651-K702 HydrophobicContact CZ2-CD 4.23Å; W651-K702 HydrophobicContact CZ3-CB 3.78Å
652	S	75.9	Confident	76.7	Confident	19 Å²	19	71.2 Å²	71.2	13%	0.133	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.5	152	169.3	64.7	0	0	0	0	111.2	M678 W679	S652-M678 WeakPolarHBondContact O-CB 3.24Å; S652-W679 PolarHBondContact N-O 2.9Å; S652-W679 VanDerWaalsContact OG-CD2 3.28Å; S652-W679 PolarHBondContact OG-N 3.18Å; S652-W679 PolarHBondContact OG-O 3.37Å
653	P	74.9	Confident	77.7	Confident	84 Å²	84	67 Å²	67	55%	0.545	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-59.3	139.5	176.5	-19.4	30.2	0	0	0	111.2	T655	P653-T655 PolarHBondContact O-N 3.29Å; P653-T655 VanDerWaalsContact O-N 3.12Å
654	C	74.4	Confident	78.5	Confident	11 Å²	11	68 Å²	68	7%	0.074	38%	0.375	C	S	.	.			trans	-68.9	108.9	170.7	-71.5	0	0	0	0	109.3	M678 C704 T708 A709	C654-M678 VanDerWaalsContact SG-SD 3.66Å; C654-C704 HydrophobicContact CB-CB 3.74Å; C654-C704 WeakPolarHBondContact CB-SG 3.44Å; C654-C704 WeakPolarHBondContact SG-CB 3.41Å; C654-C704 CovalentContact SG-SG 2.02Å; C654-C704 PolarHBondContact SG-SG 3.1Å; C654-T708 PolarHBondContact N-OG1 3.5Å; C654-T708 VanDerWaalsContact N-OG1 3.15Å; C654-T708 PolarHBondContact O-N 2.85Å; C654-T708 PolarHBondContact O-OG1 3.17Å; C654-A709 PolarHBondContact O-N 3.41Å; C654-A709 VanDerWaalsContact O-N 3.09Å
655	T	69	Low	79.1	Confident	35 Å²	35	66.9 Å²	66.9	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.7	-179	47.6	0	0	0	0	110.3	P653 P676 A709 Q711	P653-T655 PolarHBondContact O-N 3.29Å; P653-T655 VanDerWaalsContact O-N 3.12Å; T655-P676 VanDerWaalsContact O-CB 3.29Å; T655-P676 WeakPolarHBondContact O-CB 3.36Å; T655-A709 CarbonylContact C-O 3.57Å; T655-A709 WeakPolarHBondContact CA-O 3.41Å; T655-A709 HydrophobicContact CG2-CB 4.42Å; T655-Q711 HydrophobicContact CG2-CG 4.05Å
656	Q	75	Confident	79.3	Confident	88 Å²	88	71.1 Å²	71.1	41%	0.411	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	139.7	168.7	-178	174.3	15.1	0	0	109.4	P707 A709 K710 Q711	Q656-P707 HydrophobicContact CB-CB 3.51Å; Q656-P707 HydrophobicContact CB-CG 3.89Å; Q656-P707 HydrophobicContact CG-CB 4.48Å; Q656-P707 HydrophobicContact CG-CG 4.37Å; Q656-P707 VanDerWaalsContact OE1-CG 3.24Å; Q656-A709 PolarHBondContact N-O 3.28Å; Q656-K710 CarbonylContact O-C 3.48Å; Q656-K710 WeakPolarHBondContact O-CA 3.45Å; Q656-Q711 PolarHBondContact O-N 3.25Å
657	V	74.9	Confident	79.1	Confident	23 Å²	23	69.9 Å²	69.9	14%	0.139	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.1	173.9	175.5	0	0	0	0	110	L659 W671 Q711 C713	V657-L659 PolarHBondContact O-N 3.11Å; V657-W671 HydrophobicContact CB-CB 4.16Å; V657-W671 HydrophobicContact CB-CD2 3.9Å; V657-W671 HydrophobicContact CB-CE3 4.01Å; V657-W671 HydrophobicContact CB-CG 3.98Å; V657-W671 HydrophobicContact CG1-CB 4.05Å; V657-W671 HydrophobicContact CG1-CD2 3.96Å; V657-W671 HydrophobicContact CG1-CG 3.7Å; V657-W671 HydrophobicContact CG2-CD2 3.55Å; V657-W671 HydrophobicContact CG2-CE3 3.4Å; V657-W671 VanDerWaalsContact CG2-CE3 3.4Å; V657-W671 HydrophobicContact CG2-CG 4.17Å; V657-W671 HydrophobicContact CG2-CH2 3.98Å; V657-W671 HydrophobicContact CG2-CZ2 4.12Å; V657-W671 HydrophobicContact CG2-CZ3 3.62Å; V657-Q711 CarbonylContact C-O 3.45Å; V657-Q711 WeakPolarHBondContact CA-O 3.31Å; V657-C713 HydrophobicContact CG1-CB 3.98Å; V657-C713 WeakPolarHBondContact CG1-SG 3.42Å
658	D	82.1	Confident	79.2	Confident	47 Å²	47	65.8 Å²	65.8	25%	0.251	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	100.9	173.9	-173.3	-3.4	0	0	0	109.9	D660 T661 Q711 C713	D658-D660 PolarHBondContact O-N 2.77Å; D658-D660 VanDerWaalsContact O-N 3.1Å; D658-D660 PolarHBondContact OD1-N 3.08Å; D658-T661 HydrophobicContact CB-CG2 3.99Å; D658-T661 WeakPolarHBondContact O-CB 3.18Å; D658-T661 PolarHBondContact O-N 3.27Å; D658-T661 PolarHBondContact O-OG1 3.15Å; D658-Q711 PolarHBondContact N-O 3.2Å; D658-C713 PolarHBondContact O-SG 3.06Å
659	L	82.7	Confident	79	Confident	59 Å²	59	66.2 Å²	66.2	31%	0.309	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-59.5	-22	-177.3	-62.9	174	0	0	0	113.2	V657 T661 C662 K668 W671 T672	V657-L659 PolarHBondContact O-N 3.11Å; L659-T661 PolarHBondContact O-N 2.95Å; L659-C662 WeakPolarHBondContact O-CB 3.25Å; L659-C662 PolarHBondContact O-N 3.14Å; L659-K668 WeakPolarHBondContact O-CE 3.38Å; L659-W671 HydrophobicContact CD2-CB 3.77Å; L659-T672 HydrophobicContact CD1-CG2 3.59Å; L659-T672 HydrophobicContact CD2-CG2 4.05Å; L659-T672 HydrophobicContact CG-CG2 4.5Å
660	D	84.1	Confident	78.9	Confident	143 Å²	143	67.6 Å²	67.6	77%	0.765	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-71.6	-17.9	177.4	-65.7	-26.7	0	0	0	112.1	D658	D658-D660 PolarHBondContact O-N 2.77Å; D658-D660 VanDerWaalsContact O-N 3.1Å; D658-D660 PolarHBondContact OD1-N 3.08Å
661	T	83.6	Confident	78.7	Confident	58 Å²	58	65.3 Å²	65.3	36%	0.356	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-93.1	-1.5	178.1	67.9	0	0	0	0	113.3	D658 L659 T712 C713	D658-T661 HydrophobicContact CB-CG2 3.99Å; D658-T661 WeakPolarHBondContact O-CB 3.18Å; D658-T661 PolarHBondContact O-N 3.27Å; D658-T661 PolarHBondContact O-OG1 3.15Å; L659-T661 PolarHBondContact O-N 2.95Å; T661-T712 HydrophobicContact CG2-CG2 4.01Å; T661-T712 VanDerWaalsContact OG1-CA 3.24Å; T661-T712 WeakPolarHBondContact OG1-CA 3.24Å; T661-C713 PolarHBondContact OG1-N 2.78Å
662	C	79.8	Confident	78.6	Confident	7 Å²	7	64.9 Å²	64.9	5%	0.047	37%	0.366	C	S	.	.			trans	-81.1	117.6	177	-82.6	0	0	0	0	111.2	L659 A667 K668 C713	L659-C662 WeakPolarHBondContact O-CB 3.25Å; L659-C662 PolarHBondContact O-N 3.14Å; C662-A667 HydrophobicContact CB-CB 3.93Å; C662-K668 HydrophobicContact CB-CG 3.5Å; C662-K668 VanDerWaalsContact CB-CG 3.5Å; C662-K668 VanDerWaalsContact O-CE 3.29Å; C662-K668 WeakPolarHBondContact O-CE 3.28Å; C662-C713 WeakPolarHBondContact CA-SG 3.49Å; C662-C713 HydrophobicContact CB-CB 3.89Å; C662-C713 WeakPolarHBondContact CB-SG 3.31Å; C662-C713 PolarHBondContact N-SG 3.09Å; C662-C713 WeakPolarHBondContact SG-CB 3.29Å; C662-C713 CovalentContact SG-SG 2.02Å; C662-C713 PolarHBondContact SG-SG 3.4Å
663	S	77.2	Confident	78.7	Confident	122 Å²	122	70.1 Å²	70.1	85%	0.853	39%	0.393	S	S	*	.			trans	-76.7	-20.6	-178.2	56.2	0	0	0	0	114.8
664	T	80.5	Confident	78.6	Confident	54 Å²	54	68.2 Å²	68.2	33%	0.331	38%	0.38	S	S	.	.	S	Bend	trans	-120.1	149.8	-178.4	69.1	0	0	0	0	112.2	E666 A667 K668	T664-E666 PolarHBondContact O-N 3Å; T664-A667 PolarHBondContact O-N 3.22Å; T664-A667 VanDerWaalsContact O-N 3.15Å; T664-A667 WeakPolarHBondContact OG1-CB 3.16Å; T664-A667 PolarHBondContact OG1-N 3.43Å; T664-A667 VanDerWaalsContact OG1-N 3.12Å; T664-K668 PolarHBondContact O-N 3.39Å; T664-K668 VanDerWaalsContact O-N 3.07Å
665	S	79.5	Confident	78.5	Confident	96 Å²	96	71.3 Å²	71.3	67%	0.671	40%	0.399	S	S	*	.	H	α-helix	trans	-59.9	-33.6	173.2	48.1	0	0	0	0	112.2	K668 S669	S665-K668 PolarHBondContact O-N 3.32Å; S665-S669 WeakPolarHBondContact O-CB 2.98Å; S665-S669 PolarHBondContact O-N 2.6Å
666	E	77.3	Confident	78.5	Confident	130 Å²	130	71.3 Å²	71.3	61%	0.607	40%	0.4	S	S	*	.	H	α-helix	trans	-63.4	-42.1	174.2	-63.7	145.2	178.4	0	0	111.3	T664 S669 F670 I716	T664-E666 PolarHBondContact O-N 3Å; E666-S669 PolarHBondContact O-N 2.82Å; E666-F670 WeakPolarHBondContact O-CB 3.44Å; E666-F670 PolarHBondContact O-N 2.58Å; E666-I716 VanDerWaalsContact C-CD1 3.41Å; E666-I716 HydrophobicContact CB-CD1 3.76Å
667	A	74.9	Confident	78.4	Confident	6 Å²	6	73.5 Å²	73.5	5%	0.05	41%	0.405	C	S	.	.	H	α-helix	trans	-68	-42	179.1	0	0	0	0	0	110.7	C662 T664 F670 W671 I716	C662-A667 HydrophobicContact CB-CB 3.93Å; T664-A667 PolarHBondContact O-N 3.22Å; T664-A667 VanDerWaalsContact O-N 3.15Å; T664-A667 WeakPolarHBondContact OG1-CB 3.16Å; T664-A667 PolarHBondContact OG1-N 3.43Å; T664-A667 VanDerWaalsContact OG1-N 3.12Å; A667-F670 PolarHBondContact O-N 2.91Å; A667-W671 PolarHBondContact O-N 3.04Å; A667-I716 HydrophobicContact CB-CD1 3.7Å; A667-I716 HydrophobicContact CB-CG1 3.79Å
668	K	83.2	Confident	78.7	Confident	94 Å²	94	73.9 Å²	73.9	41%	0.409	41%	0.405	S	S	.	.	H	α-helix	trans	-58	-50.4	172.6	-70.2	-174.1	-179	-171	0	110.6	L659 C662 T664 S665 F670 W671 T672	L659-K668 WeakPolarHBondContact O-CE 3.38Å; C662-K668 HydrophobicContact CB-CG 3.5Å; C662-K668 VanDerWaalsContact CB-CG 3.5Å; C662-K668 VanDerWaalsContact O-CE 3.29Å; C662-K668 WeakPolarHBondContact O-CE 3.28Å; T664-K668 PolarHBondContact O-N 3.39Å; T664-K668 VanDerWaalsContact O-N 3.07Å; S665-K668 PolarHBondContact O-N 3.32Å; K668-F670 PolarHBondContact O-N 3.31Å; K668-W671 PolarHBondContact O-N 3.4Å; K668-T672 WeakPolarHBondContact O-CB 3.22Å; K668-T672 VanDerWaalsContact O-CG2 3.31Å; K668-T672 WeakPolarHBondContact O-CG2 3.45Å; K668-T672 PolarHBondContact O-N 3.45Å; K668-T672 PolarHBondContact O-OG1 2.94Å
669	S	82.3	Confident	78.7	Confident	65 Å²	65	78.8 Å²	78.8	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-58.5	-43.9	178.8	168.9	0	0	0	0	113.6	S665 E666 T672 N673	S665-S669 WeakPolarHBondContact O-CB 2.98Å; S665-S669 PolarHBondContact O-N 2.6Å; E666-S669 PolarHBondContact O-N 2.82Å; S669-T672 WeakPolarHBondContact CA-OG1 3.01Å; S669-T672 PolarHBondContact O-OG1 3.37Å; S669-N673 PolarHBondContact O-N 2.9Å; S669-N673 PolarHBondContact O-ND2 3.27Å
670	F	78.8	Confident	79	Confident	69 Å²	69	78.8 Å²	78.8	30%	0.303	42%	0.416	S	S	.	.	H	α-helix	trans	-64.6	-52	179.8	178.2	-94.2	0	0	0	111.2	E666 A667 K668 T672 N673 T674 I716 P717	E666-F670 WeakPolarHBondContact O-CB 3.44Å; E666-F670 PolarHBondContact O-N 2.58Å; A667-F670 PolarHBondContact O-N 2.91Å; K668-F670 PolarHBondContact O-N 3.31Å; F670-T672 VanDerWaalsContact C-N 3.33Å; F670-T672 PolarHBondContact O-N 3.43Å; F670-N673 PolarHBondContact O-N 3.42Å; F670-N673 VanDerWaalsContact O-N 3.16Å; F670-T674 WeakPolarHBondContact O-CB 3.36Å; F670-T674 PolarHBondContact O-N 2.82Å; F670-T674 VanDerWaalsContact O-N 3.13Å; F670-T674 PolarHBondContact O-OG1 3.26Å; F670-I716 HydrophobicContact CB-CG2 4.19Å; F670-I716 HydrophobicContact CD1-CG2 4.21Å; F670-I716 HydrophobicContact CD2-CG2 3.94Å; F670-I716 HydrophobicContact CE2-CG2 4.38Å; F670-I716 HydrophobicContact CG-CG2 3.84Å; F670-P717 HydrophobicContact CZ-CG 4.49Å
671	W	79.1	Confident	78.9	Confident	73 Å²	73	74 Å²	74	28%	0.277	39%	0.392	S	S	.	.	H	α-helix	trans	-73.3	-22.9	-177.6	-69.1	116.5	0	0	0	113.2	V657 L659 A667 K668 N673	V657-W671 HydrophobicContact CB-CB 4.16Å; V657-W671 HydrophobicContact CB-CD2 3.9Å; V657-W671 HydrophobicContact CB-CE3 4.01Å; V657-W671 HydrophobicContact CB-CG 3.98Å; V657-W671 HydrophobicContact CG1-CB 4.05Å; V657-W671 HydrophobicContact CG1-CD2 3.96Å; V657-W671 HydrophobicContact CG1-CG 3.7Å; V657-W671 HydrophobicContact CG2-CD2 3.55Å; V657-W671 HydrophobicContact CG2-CE3 3.4Å; V657-W671 VanDerWaalsContact CG2-CE3 3.4Å; V657-W671 HydrophobicContact CG2-CG 4.17Å; V657-W671 HydrophobicContact CG2-CH2 3.98Å; V657-W671 HydrophobicContact CG2-CZ2 4.12Å; V657-W671 HydrophobicContact CG2-CZ3 3.62Å; L659-W671 HydrophobicContact CD2-CB 3.77Å; A667-W671 PolarHBondContact O-N 3.04Å; K668-W671 PolarHBondContact O-N 3.4Å; W671-N673 VanDerWaalsContact C-N 3.28Å; W671-N673 PolarHBondContact O-N 2.82Å
672	T	81.9	Confident	79.1	Confident	80 Å²	80	73.8 Å²	73.8	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-29.7	168.9	40.7	0	0	0	0	113.2	L659 K668 S669 F670	L659-T672 HydrophobicContact CD1-CG2 3.59Å; L659-T672 HydrophobicContact CD2-CG2 4.05Å; L659-T672 HydrophobicContact CG-CG2 4.5Å; K668-T672 WeakPolarHBondContact O-CB 3.22Å; K668-T672 VanDerWaalsContact O-CG2 3.31Å; K668-T672 WeakPolarHBondContact O-CG2 3.45Å; K668-T672 PolarHBondContact O-N 3.45Å; K668-T672 PolarHBondContact O-OG1 2.94Å; S669-T672 WeakPolarHBondContact CA-OG1 3.01Å; S669-T672 PolarHBondContact O-OG1 3.37Å; F670-T672 VanDerWaalsContact C-N 3.33Å; F670-T672 PolarHBondContact O-N 3.43Å
673	N	77.2	Confident	79	Confident	128 Å²	128	79.4 Å²	79.4	68%	0.684	41%	0.41	S	S	*	.	H	α-helix	trans	-105.7	-0.6	-174.1	-67.2	-27.5	0	0	0	113.6	S669 F670 W671	S669-N673 PolarHBondContact O-N 2.9Å; S669-N673 PolarHBondContact O-ND2 3.27Å; F670-N673 PolarHBondContact O-N 3.42Å; F670-N673 VanDerWaalsContact O-N 3.16Å; W671-N673 VanDerWaalsContact C-N 3.28Å; W671-N673 PolarHBondContact O-N 2.82Å
674	T	74	Confident	78.7	Confident	45 Å²	45	76.2 Å²	76.2	28%	0.276	39%	0.388	S	S	.	.	S	Bend	trans	-107.7	108.4	-177.6	-50.9	0	0	0	0	109.7	F670	F670-T674 WeakPolarHBondContact O-CB 3.36Å; F670-T674 PolarHBondContact O-N 2.82Å; F670-T674 VanDerWaalsContact O-N 3.13Å; F670-T674 PolarHBondContact O-OG1 3.26Å
675	P	70.7	Confident	78	Confident	75 Å²	75	79.3 Å²	79.3	49%	0.487	40%	0.401	S	S	.	.			trans	-65.2	144.8	-179.9	25.6	-33	0	0	0	111.2
676	P	70.2	Confident	77.1	Confident	35 Å²	35	77.2 Å²	77.2	23%	0.227	39%	0.387	C	S	.	.			trans	-60	138.3	176.4	22.6	-30.5	0	0	0	111.1	T655 C704 P707	T655-P676 VanDerWaalsContact O-CB 3.29Å; T655-P676 WeakPolarHBondContact O-CB 3.36Å; P676-C704 HydrophobicContact CB-CB 4.33Å; P676-C704 HydrophobicContact CG-CB 4.14Å; P676-C704 WeakPolarHBondContact O-CB 3.4Å; P676-C704 PolarHBondContact O-N 3.26Å; P676-P707 HydrophobicContact CG-CB 4.42Å
677	R	73.1	Confident	76	Confident	135 Å²	135	80.4 Å²	80.4	51%	0.509	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.5	-179.4	-63.6	-172.7	-178	-171.7	3.8	111.2	E701 K702	R677-E701 IonicContact CZ-OE2 3.96Å; R677-E701 IonicContact NH1-OE2 2.9Å; R677-E701 PolarHBondContact NH1-OE2 3.15Å; R677-K702 WeakPolarHBondContact CA-O 3.45Å
678	M	81.6	Confident	75	Confident	30 Å²	30	81.6 Å²	81.6	15%	0.148	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.9	171.5	55.7	-165.4	-59.6	0	0	109	W651 S652 C654 E701 K702	W651-M678 HydrophobicContact CB-CE 3.17Å; W651-M678 HydrophobicContact CD2-CE 3.35Å; W651-M678 HydrophobicContact CD2-CG 4.28Å; W651-M678 HydrophobicContact CD2-SD 4.41Å; W651-M678 HydrophobicContact CE3-CB 4Å; W651-M678 HydrophobicContact CE3-CE 3.67Å; W651-M678 HydrophobicContact CE3-CG 3.63Å; W651-M678 HydrophobicContact CE3-SD 4.33Å; W651-M678 HydrophobicContact CG-CE 3.14Å; W651-M678 HydrophobicContact CZ3-CG 3.93Å; S652-M678 WeakPolarHBondContact O-CB 3.24Å; C654-M678 VanDerWaalsContact SG-SD 3.66Å; M678-E701 WeakPolarHBondContact O-CA 3.5Å; M678-K702 HydrophobicContact CG-CB 3.97Å; M678-K702 WeakPolarHBondContact CG-O 3.44Å; M678-K702 PolarHBondContact N-O 3.44Å; M678-K702 PolarHBondContact O-N 2Å; M678-K702 HydrophobicContact SD-CB 4.42Å
679	W	81.8	Confident	73.8	Confident	150 Å²	150	84.5 Å²	84.5	57%	0.568	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.5	178.3	61.8	82.5	0	0	0	112.4	S652 E700	S652-W679 PolarHBondContact N-O 2.9Å; S652-W679 VanDerWaalsContact OG-CD2 3.28Å; S652-W679 PolarHBondContact OG-N 3.18Å; S652-W679 PolarHBondContact OG-O 3.37Å; W679-E700 CarbonylContact C-O 3.56Å; W679-E700 WeakPolarHBondContact CA-O 3.31Å
680	R	88.4	Confident	73	Confident	59 Å²	59	84.1 Å²	84.1	22%	0.223	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.7	170.4	61.3	179.5	-169.7	170.6	0.5	111	W648 S649 W651 K699 E700	W648-R680 HydrophobicContact CD2-CG 4.15Å; W648-R680 HydrophobicContact CE3-CB 4.2Å; W648-R680 HydrophobicContact CE3-CG 3.58Å; W648-R680 HydrophobicContact CZ3-CG 4.07Å; S649-R680 WeakPolarHBondContact O-CB 3.36Å; S649-R680 WeakPolarHBondContact OG-CA 3.47Å; W651-R680 HydrophobicContact CD2-CB 4.24Å; W651-R680 HydrophobicContact CD2-CG 4.11Å; W651-R680 HydrophobicContact CE3-CB 4.05Å; W651-R680 HydrophobicContact CE3-CG 3.93Å; W651-R680 HydrophobicContact CH2-CG 3.92Å; W651-R680 HydrophobicContact CZ2-CG 4.12Å; W651-R680 HydrophobicContact CZ3-CB 4.39Å; W651-R680 HydrophobicContact CZ3-CG 3.84Å; R680-K699 WeakPolarHBondContact O-CA 3.46Å; R680-E700 HydrophobicContact CG-CB 3.92Å; R680-E700 IonicContact CZ-OE2 3.6Å; R680-E700 PolarHBondContact N-O 3.08Å; R680-E700 IonicContact NE-OE2 3.05Å; R680-E700 PolarHBondContact NE-OE2 3.3Å; R680-E700 IonicContact NH2-OE1 3.11Å; R680-E700 IonicContact NH2-OE2 3.69Å; R680-E700 PolarHBondContact NH2-OE2 3.06Å; R680-E700 PolarHBondContact O-N 2.02Å
681	T	82.8	Confident	72.5	Confident	44 Å²	44	88.6 Å²	88.6	27%	0.27	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.7	-176	57.6	0	0	0	0	111.8	S649 L698 K699	S649-T681 WeakPolarHBondContact CB-O 3.02Å; S649-T681 PolarHBondContact N-O 2.76Å; S649-T681 PolarHBondContact OG-N 3.17Å; T681-L698 WeakPolarHBondContact CA-O 2.88Å; T681-K699 HydrophobicContact CG2-CD 4.29Å; T681-K699 HydrophobicContact CG2-CG 3.96Å
682	R	87	Confident	71.9	Confident	52 Å²	52	90.9 Å²	90.9	20%	0.196	46%	0.462	C	S	.	.			trans	-136.8	162.4	168.7	67.8	177.8	174.9	177.5	0.3	110.3	S646 W648 K697 L698	S646-R682 WeakPolarHBondContact OG-CA 3.36Å; S646-R682 WeakPolarHBondContact OG-CB 3.26Å; W648-R682 HydrophobicContact CD2-CB 4.16Å; W648-R682 HydrophobicContact CD2-CG 4.07Å; W648-R682 HydrophobicContact CE3-CB 3.92Å; W648-R682 HydrophobicContact CE3-CG 3.88Å; W648-R682 HydrophobicContact CH2-CG 3.9Å; W648-R682 HydrophobicContact CZ2-CG 4.09Å; W648-R682 HydrophobicContact CZ3-CB 4.27Å; W648-R682 HydrophobicContact CZ3-CG 3.81Å; R682-K697 PolarHBondContact NE-O 2.98Å; R682-K697 VanDerWaalsContact NE-O 3.08Å; R682-K697 PolarHBondContact NH2-O 3.35Å; R682-L698 HydrophobicContact CG-CD2 4.39Å; R682-L698 PolarHBondContact N-O 3.26Å
683	H	77.2	Confident	71.4	Confident	125 Å²	125	87.7 Å²	87.7	58%	0.579	44%	0.443	S	S	*	.			trans	-123.4	161.1	-175.4	-58.4	-76.2	0	0	0	110.9	S646	S646-H683 WeakPolarHBondContact CB-O 3.3Å; S646-H683 PolarHBondContact N-O 3.32Å; S646-H683 PolarHBondContact OG-N 2.03Å
684	S	70.2	Confident	70.8	Confident	56 Å²	56	88.1 Å²	88.1	39%	0.392	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-76.4	127.6	168.9	-165.1	0	0	0	0	109.2	S686	S684-S686 PolarHBondContact OG-O 3Å
685	I	66.3	Low	70.8	Confident	119 Å²	119	90.1 Å²	90.1	61%	0.61	47%	0.465	S	S	*	.	S	Bend	trans	-77.5	-32.3	-179	-59.9	174.2	0	0	0	110.7	H644 L645	H644-I685 HydrophobicContact CB-CB 4.39Å; H644-I685 WeakPolarHBondContact O-CB 3.48Å; H644-I685 PolarHBondContact O-N 2.95Å; L645-I685 VanDerWaalsContact O-CD1 3.31Å; L645-I685 WeakPolarHBondContact O-CD1 3.33Å
686	S	60.3	Low	70.9	Confident	52 Å²	52	87.6 Å²	87.6	36%	0.364	45%	0.451	S	S	.	.	S	Bend	trans	-120.9	152.6	176.4	60.3	0	0	0	0	111	S684 S688	S684-S686 PolarHBondContact OG-O 3Å; S686-S688 PolarHBondContact O-N 3.18Å
687	Q	54.6	Low	71.4	Confident	196 Å²	196	92.1 Å²	92.1	92%	0.916	47%	0.467	S	S	*	.			trans	-71.6	55.1	169.3	-67.6	-178.9	-6.6	0	0	110.4	N689	Q687-N689 PolarHBondContact O-N 2.82Å
688	S	53.9	Low	71.9	Confident	31 Å²	31	89.4 Å²	89.4	22%	0.217	46%	0.462	C	S	.	.			trans	-80.5	116.6	177.8	62.5	0	0	0	0	109.8	S686 D690 C693	S686-S688 PolarHBondContact O-N 3.18Å; S688-D690 PolarHBondContact O-N 2.78Å; S688-C693 WeakPolarHBondContact OG-CB 3.39Å; S688-C693 PolarHBondContact OG-SG 2.98Å
689	N	58.4	Low	72	Confident	155 Å²	155	95.1 Å²	95.1	83%	0.829	49%	0.486	S	S	*	.			trans	-73.3	26.2	171.9	-62.8	-25.2	0	0	0	112.7	Q687	Q687-N689 PolarHBondContact O-N 2.82Å
690	D	65.8	Low	72.1	Confident	57 Å²	57	90.3 Å²	90.3	31%	0.305	47%	0.47	S	S	.	.			trans	-78.9	131.2	-177.6	-159.5	5.9	0	0	0	109.1	S688 D692 C693 L694	S688-D690 PolarHBondContact O-N 2.78Å; D690-D692 PolarHBondContact O-N 2.76Å; D690-C693 HydrophobicContact CB-CB 4.3Å; D690-C693 WeakPolarHBondContact O-CB 3.09Å; D690-C693 PolarHBondContact O-N 3.43Å; D690-L694 PolarHBondContact O-N 2.89Å; D690-L694 VanDerWaalsContact O-N 3.12Å
691	E	68.2	Low	71.8	Confident	164 Å²	164	93.6 Å²	93.6	77%	0.766	49%	0.488	S	S	*	.	H	α-helix	trans	-55.1	-37.2	-177.9	-88.3	-165.8	150.1	0	0	111.1	C693 L694 A695	E691-C693 VanDerWaalsContact C-N 3.3Å; E691-C693 PolarHBondContact O-N 3.28Å; E691-L694 PolarHBondContact O-N 3.12Å; E691-A695 VanDerWaalsContact O-CB 3.31Å; E691-A695 WeakPolarHBondContact O-CB 3.46Å; E691-A695 PolarHBondContact O-N 3.08Å
692	D	67.1	Low	71.7	Confident	121 Å²	121	97.1 Å²	97.1	65%	0.647	50%	0.499	S	S	*	.	H	α-helix	trans	-60.8	-37.2	176.9	-78.4	-10.5	0	0	0	112.6	D690 A696	D690-D692 PolarHBondContact O-N 2.76Å; D692-A696 PolarHBondContact O-N 3.13Å; D692-A696 VanDerWaalsContact O-N 3.13Å
693	C	69.8	Low	71.3	Confident	12 Å²	12	97.7 Å²	97.7	8%	0.081	52%	0.516	C	S	.	.	H	α-helix	trans	-76.4	-35.5	179.4	-113.4	0	0	0	0	112	C643 S688 D690 E691 A695 A696	C643-C693 HydrophobicContact CB-CB 3.87Å; C643-C693 WeakPolarHBondContact CB-SG 3.02Å; C643-C693 WeakPolarHBondContact SG-CA 3.23Å; C643-C693 WeakPolarHBondContact SG-CB 3.42Å; C643-C693 CovalentContact SG-SG 2.03Å; C643-C693 PolarHBondContact SG-SG 3.48Å; S688-C693 WeakPolarHBondContact OG-CB 3.39Å; S688-C693 PolarHBondContact OG-SG 2.98Å; D690-C693 HydrophobicContact CB-CB 4.3Å; D690-C693 WeakPolarHBondContact O-CB 3.09Å; D690-C693 PolarHBondContact O-N 3.43Å; E691-C693 VanDerWaalsContact C-N 3.3Å; E691-C693 PolarHBondContact O-N 3.28Å; C693-A695 VanDerWaalsContact C-N 3.33Å; C693-A696 PolarHBondContact O-N 3.01Å
694	L	65.5	Low	71.2	Confident	138 Å²	138	92.6 Å²	92.6	72%	0.723	49%	0.494	S	S	*	.	H	α-helix	trans	-71	-29	173.7	-67.3	173.1	0	0	0	112.4	D690 E691	D690-L694 PolarHBondContact O-N 2.89Å; D690-L694 VanDerWaalsContact O-N 3.12Å; E691-L694 PolarHBondContact O-N 3.12Å
695	A	74.3	Confident	71.2	Confident	86 Å²	86	99 Å²	99	71%	0.711	52%	0.517	S	S	*	.	H	α-helix	trans	-84.3	-14.8	176.5	0	0	0	0	0	113.9	E691 C693	E691-A695 VanDerWaalsContact O-CB 3.31Å; E691-A695 WeakPolarHBondContact O-CB 3.46Å; E691-A695 PolarHBondContact O-N 3.08Å; C693-A695 VanDerWaalsContact C-N 3.33Å
696	A	73.4	Confident	71.4	Confident	23 Å²	23	100.7 Å²	100.7	19%	0.19	53%	0.525	C	S	.	.	S	Bend	trans	-68.3	133.1	-174.7	0	0	0	0	0	113.2	L645 D692 C693 L698	L645-A696 HydrophobicContact CD1-CB 3.63Å; L645-A696 HydrophobicContact CD2-CB 4.26Å; D692-A696 PolarHBondContact O-N 3.13Å; D692-A696 VanDerWaalsContact O-N 3.13Å; C693-A696 PolarHBondContact O-N 3.01Å; A696-L698 PolarHBondContact O-N 3.36Å
697	K	79.7	Confident	71.7	Confident	129 Å²	129	100.8 Å²	100.8	56%	0.561	52%	0.524	S	S	*	.			trans	-65.9	118.3	174.3	-157.1	179.1	-174.8	-178.3	0	110.2	W648 R682 K699 E700	W648-K697 WeakPolarHBondContact CH2-O 3.01Å; R682-K697 PolarHBondContact NE-O 2.98Å; R682-K697 VanDerWaalsContact NE-O 3.08Å; R682-K697 PolarHBondContact NH2-O 3.35Å; K697-K699 WeakPolarHBondContact CE-O 3.44Å; K697-K699 VanDerWaalsContact CG-O 3.26Å; K697-K699 WeakPolarHBondContact CG-O 3.07Å; K697-E700 HydrophobicContact CD-CG 3.96Å
698	L	83.3	Confident	72.2	Confident	78 Å²	78	96.5 Å²	96.5	41%	0.408	51%	0.511	S	S	.	.			trans	-94.2	-13.3	178.7	-61.8	-178.8	0	0	0	113.6	L645 T681 R682 A696	L645-L698 HydrophobicContact CD2-CD2 4.28Å; T681-L698 WeakPolarHBondContact CA-O 2.88Å; R682-L698 HydrophobicContact CG-CD2 4.39Å; R682-L698 PolarHBondContact N-O 3.26Å; A696-L698 PolarHBondContact O-N 3.36Å
699	K	84.3	Confident	72.9	Confident	151 Å²	151	97.1 Å²	97.1	66%	0.657	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.7	178.1	-59.2	-166.1	175.7	179.2	0	110.4	R680 T681 K697	R680-K699 WeakPolarHBondContact O-CA 3.46Å; T681-K699 HydrophobicContact CG2-CD 4.29Å; T681-K699 HydrophobicContact CG2-CG 3.96Å; K697-K699 WeakPolarHBondContact CE-O 3.44Å; K697-K699 VanDerWaalsContact CG-O 3.26Å; K697-K699 WeakPolarHBondContact CG-O 3.07Å
700	E	84.6	Confident	73.5	Confident	48 Å²	48	97.2 Å²	97.2	22%	0.224	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.1	174.4	-81.9	176.4	-172.2	0	0	111	W648 W651 W679 R680 K697	W648-E700 HydrophobicContact CH2-CB 4.07Å; W648-E700 HydrophobicContact CH2-CG 3.47Å; W648-E700 VanDerWaalsContact CH2-CG 3.47Å; W648-E700 HydrophobicContact CZ2-CG 3.85Å; W648-E700 WeakPolarHBondContact CZ2-OE1 3.02Å; W648-E700 HydrophobicContact CZ3-CB 4.14Å; W648-E700 HydrophobicContact CZ3-CG 4.07Å; W651-E700 HydrophobicContact CH2-CB 4.22Å; W679-E700 CarbonylContact C-O 3.56Å; W679-E700 WeakPolarHBondContact CA-O 3.31Å; R680-E700 HydrophobicContact CG-CB 3.92Å; R680-E700 IonicContact CZ-OE2 3.6Å; R680-E700 PolarHBondContact N-O 3.08Å; R680-E700 IonicContact NE-OE2 3.05Å; R680-E700 PolarHBondContact NE-OE2 3.3Å; R680-E700 IonicContact NH2-OE1 3.11Å; R680-E700 IonicContact NH2-OE2 3.69Å; R680-E700 PolarHBondContact NH2-OE2 3.06Å; R680-E700 PolarHBondContact O-N 2.02Å; K697-E700 HydrophobicContact CD-CG 3.96Å
701	E	82.1	Confident	73.8	Confident	129 Å²	129	99.9 Å²	99.9	60%	0.603	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.5	171.3	-67.5	-179.4	-161.2	0	0	108.5	R677 M678	R677-E701 IonicContact CZ-OE2 3.96Å; R677-E701 IonicContact NH1-OE2 2.9Å; R677-E701 PolarHBondContact NH1-OE2 3.15Å; M678-E701 WeakPolarHBondContact O-CA 3.5Å
702	K	79.9	Confident	74.1	Confident	117 Å²	117	97 Å²	97	51%	0.509	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140	174.3	-167.7	-178.3	177.2	-174	0	109.6	W651 R677 M678	W651-K702 HydrophobicContact CH2-CB 3.52Å; W651-K702 HydrophobicContact CH2-CD 4.37Å; W651-K702 HydrophobicContact CZ2-CB 4.22Å; W651-K702 HydrophobicContact CZ2-CD 4.23Å; W651-K702 HydrophobicContact CZ3-CB 3.78Å; R677-K702 WeakPolarHBondContact CA-O 3.45Å; M678-K702 HydrophobicContact CG-CB 3.97Å; M678-K702 WeakPolarHBondContact CG-O 3.44Å; M678-K702 PolarHBondContact N-O 3.44Å; M678-K702 PolarHBondContact O-N 2Å; M678-K702 HydrophobicContact SD-CB 4.42Å
703	A	79	Confident	74.5	Confident	65 Å²	65	92.4 Å²	92.4	54%	0.537	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	133.7	168.2	0	0	0	0	0	109.2
704	C	74.6	Confident	74.2	Confident	18 Å²	18	93.4 Å²	93.4	12%	0.122	51%	0.505	C	S	.	.			trans	-79.8	138.5	178.9	-62.9	0	0	0	0	110.8	C654 P676	C654-C704 HydrophobicContact CB-CB 3.74Å; C654-C704 WeakPolarHBondContact CB-SG 3.44Å; C654-C704 WeakPolarHBondContact SG-CB 3.41Å; C654-C704 CovalentContact SG-SG 2.02Å; C654-C704 PolarHBondContact SG-SG 3.1Å; P676-C704 HydrophobicContact CB-CB 4.33Å; P676-C704 HydrophobicContact CG-CB 4.14Å; P676-C704 WeakPolarHBondContact O-CB 3.4Å; P676-C704 PolarHBondContact O-N 3.26Å
705	E	71.5	Confident	73.9	Confident	190 Å²	190	93 Å²	93	89%	0.888	51%	0.511	S	S	*	.	S	Bend	trans	-74.9	-32.9	169.7	-74.5	176.1	-177.5	0	0	111.5
706	M	68.6	Low	73	Confident	155 Å²	155	91 Å²	91	76%	0.764	49%	0.487	S	S	*	.	S	Bend	trans	-147.9	141.5	173.3	-63.3	-166.5	-170.1	0	0	111.9
707	P	66.5	Low	72	Confident	53 Å²	53	94.3 Å²	94.3	34%	0.344	51%	0.507	S	S	.	.			trans	-76.3	143.6	176.5	28	-30.4	0	0	0	113.4	Q656 P676	Q656-P707 HydrophobicContact CB-CB 3.51Å; Q656-P707 HydrophobicContact CB-CG 3.89Å; Q656-P707 HydrophobicContact CG-CB 4.48Å; Q656-P707 HydrophobicContact CG-CG 4.37Å; Q656-P707 VanDerWaalsContact OE1-CG 3.24Å; P676-P707 HydrophobicContact CG-CB 4.42Å
708	T	67	Low	70.2	Confident	107 Å²	107	94.4 Å²	94.4	66%	0.656	51%	0.512	S	S	*	.			trans	-108.1	-15.2	-177.9	55.5	0	0	0	0	114	C654	C654-T708 PolarHBondContact N-OG1 3.5Å; C654-T708 VanDerWaalsContact N-OG1 3.15Å; C654-T708 PolarHBondContact O-N 2.85Å; C654-T708 PolarHBondContact O-OG1 3.17Å
709	A	68	Low	68.1	Low	43 Å²	43	96 Å²	96	36%	0.355	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.8	176.6	0	0	0	0	0	112.1	C654 T655 Q656	C654-A709 PolarHBondContact O-N 3.41Å; C654-A709 VanDerWaalsContact O-N 3.09Å; T655-A709 CarbonylContact C-O 3.57Å; T655-A709 WeakPolarHBondContact CA-O 3.41Å; T655-A709 HydrophobicContact CG2-CB 4.42Å; Q656-A709 PolarHBondContact N-O 3.28Å
710	K	71.3	Confident	65.7	Low	158 Å²	158	93.7 Å²	93.7	69%	0.687	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.5	171	-70.7	-172.5	176.9	-172.8	0	110.6	Q656	Q656-K710 CarbonylContact O-C 3.48Å; Q656-K710 WeakPolarHBondContact O-CA 3.45Å
711	Q	71.1	Confident	63.5	Low	113 Å²	113	96.2 Å²	96.2	53%	0.528	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.4	172.5	-75	-166.2	-7.2	0	0	111.2	T655 Q656 V657 D658	T655-Q711 HydrophobicContact CG2-CG 4.05Å; Q656-Q711 PolarHBondContact O-N 3.25Å; V657-Q711 CarbonylContact C-O 3.45Å; V657-Q711 WeakPolarHBondContact CA-O 3.31Å; D658-Q711 PolarHBondContact N-O 3.2Å
712	T	75.7	Confident	61.3	Low	103 Å²	103	98.6 Å²	98.6	63%	0.632	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.8	148.1	178	58.1	0	0	0	0	112.1	T661 G714	T661-T712 HydrophobicContact CG2-CG2 4.01Å; T661-T712 VanDerWaalsContact OG1-CA 3.24Å; T661-T712 WeakPolarHBondContact OG1-CA 3.24Å; T712-G714 PolarHBondContact O-N 3.33Å
713	C	74.3	Confident	58.9	Low	25 Å²	25	99.6 Å²	99.6	17%	0.169	58%	0.576	C	S	.	*			trans	-54.8	109.4	178.7	-68.3	0	0	0	0	111.9	V657 D658 T661 C662	V657-C713 HydrophobicContact CG1-CB 3.98Å; V657-C713 WeakPolarHBondContact CG1-SG 3.42Å; D658-C713 PolarHBondContact O-SG 3.06Å; T661-C713 PolarHBondContact OG1-N 2.78Å; C662-C713 WeakPolarHBondContact CA-SG 3.49Å; C662-C713 HydrophobicContact CB-CB 3.89Å; C662-C713 WeakPolarHBondContact CB-SG 3.31Å; C662-C713 PolarHBondContact N-SG 3.09Å; C662-C713 WeakPolarHBondContact SG-CB 3.29Å; C662-C713 CovalentContact SG-SG 2.02Å; C662-C713 PolarHBondContact SG-SG 3.4Å
714	G	64.2	Low	56.8	Low	33 Å²	33	108 Å²	108	34%	0.34	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-72.9	162.4	166.2	0	0	0	0	0	111.8	T712 I716	T712-G714 PolarHBondContact O-N 3.33Å; G714-I716 PolarHBondContact O-N 3.44Å
715	P	57.8	Low	54.9	Low	129 Å²	129	113 Å²	113	84%	0.838	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59.1	134.1	176.8	23.3	-31.7	0	0	0	111.8
716	I	57.4	Low	53.5	Low	44 Å²	44	107.7 Å²	107.7	23%	0.226	60%	0.595	C	S	.	*	P	Polyproline II helix	trans	-64.2	135.7	178.7	-48.6	168	0	0	0	110.1	E666 A667 F670 G714 I718	E666-I716 VanDerWaalsContact C-CD1 3.41Å; E666-I716 HydrophobicContact CB-CD1 3.76Å; A667-I716 HydrophobicContact CB-CD1 3.7Å; A667-I716 HydrophobicContact CB-CG1 3.79Å; F670-I716 HydrophobicContact CB-CG2 4.19Å; F670-I716 HydrophobicContact CD1-CG2 4.21Å; F670-I716 HydrophobicContact CD2-CG2 3.94Å; F670-I716 HydrophobicContact CE2-CG2 4.38Å; F670-I716 HydrophobicContact CG-CG2 3.84Å; G714-I716 PolarHBondContact O-N 3.44Å; I716-I718 PolarHBondContact O-N 3.4Å
717	P	51.1	Low	52.5	Low	92 Å²	92	103.9 Å²	103.9	60%	0.597	57%	0.574	S	S	*	*			trans	-70.7	105.8	164.7	-7.9	23.7	0	0	0	110	F670 S719	F670-P717 HydrophobicContact CZ-CG 4.49Å; P717-S719 PolarHBondContact O-N 2.98Å
718	I	41.5	Very low	51.7	Low	131 Å²	131	108 Å²	108	67%	0.672	59%	0.59	S	S	*	*			trans	-77.3	109.5	179.4	-57.5	171.3	0	0	0	109.8	I716	I716-I718 PolarHBondContact O-N 3.4Å
719	S	40	Very low	51.1	Low	112 Å²	112	106.7 Å²	106.7	78%	0.783	58%	0.579	S	S	*	*			trans	-97	121.6	162.3	57.2	0	0	0	0	110.2	P717	P717-S719 PolarHBondContact O-N 2.98Å
720	T	33.4	Very low	50.6	Low	103 Å²	103	104.9 Å²	104.9	63%	0.632	56%	0.564	S	S	*	*			trans	-44	169	179.1	52.3	0	0	0	0	117.2
721	P	39.2	Very low	49.9	Very low	101 Å²	101	97.5 Å²	97.5	66%	0.656	53%	0.532	S	S	*	.			cis	-141.4	140.8	14.9	33.8	-12	0	0	0	116.7
722	H	34.5	Very low	49.2	Very low	178 Å²	178	95.7 Å²	95.7	82%	0.824	53%	0.526	S	S	*	.	S	Bend	trans	176.6	117.9	132.6	-87.9	-56.4	0	0	0	109
723	T	29.4	Very low	48.1	Very low	139 Å²	139	95.2 Å²	95.2	85%	0.853	52%	0.515	S	S	*	.	S	Bend	trans	55.9	67.2	157.2	35.4	0	0	0	0	118.9
724	R	36.7	Very low	47.3	Very low	242 Å²	242	94.9 Å²	94.9	91%	0.913	51%	0.512	S	S	*	.	S	Bend	trans	-161.3	116.7	138.5	-105	175.9	-169.1	-178.8	3.6	105.7	N726	R724-N726 PolarHBondContact O-N 3.42Å
725	M	33	Very low	46.6	Very low	122 Å²	122	93.9 Å²	93.9	60%	0.601	50%	0.499	S	S	*	.			trans	-59.6	111	-176.3	-76.6	175.6	86.9	0	0	109.3	F727 T730 Q862	M725-F727 PolarHBondContact O-N 3.1Å; M725-T730 HydrophobicContact CE-CG2 3.91Å; M725-Q862 HydrophobicContact CE-CB 4.41Å
726	N	43.7	Very low	46.5	Very low	79 Å²	79	89 Å²	89	42%	0.422	46%	0.464	S	S	.	.			trans	-66.8	122.9	172.7	-109.7	-15.6	0	0	0	108.2	R724 M728 D729	R724-N726 PolarHBondContact O-N 3.42Å; N726-M728 PolarHBondContact O-N 2.87Å; N726-D729 PolarHBondContact O-N 3.43Å
727	F	47.6	Very low	46.2	Very low	74 Å²	74	87.7 Å²	87.7	33%	0.325	46%	0.462	S	S	.	.	H	α-helix	trans	-53.3	-30.6	-173.1	-177.7	-108.5	0	0	0	114	M725 W739 C788 L790	M725-F727 PolarHBondContact O-N 3.1Å; F727-W739 HydrophobicContact CE1-CZ2 4.42Å; F727-C788 WeakPolarHBondContact CE1-O 3.38Å; F727-C788 VanDerWaalsContact CZ-C 3.4Å; F727-C788 WeakPolarHBondContact CZ-O 3.31Å; F727-L790 HydrophobicContact CD2-CB 4.04Å; F727-L790 HydrophobicContact CD2-CD1 3.97Å; F727-L790 VanDerWaalsContact CE2-CA 3.47Å; F727-L790 HydrophobicContact CE2-CB 3.64Å; F727-L790 HydrophobicContact CE2-CD1 4.04Å; F727-L790 HydrophobicContact CE2-CG 4.47Å; F727-L790 VanDerWaalsContact CZ-N 3.31Å
728	M	49.6	Very low	46	Very low	139 Å²	139	86.9 Å²	86.9	69%	0.685	46%	0.456	S	S	*	.	H	α-helix	trans	-71.6	-32.4	177	-100.2	154.2	156.2	0	0	114.5	N726 T730 C731 N732	N726-M728 PolarHBondContact O-N 2.87Å; M728-T730 VanDerWaalsContact C-N 3.27Å; M728-T730 PolarHBondContact O-N 3.33Å; M728-C731 PolarHBondContact O-N 2.85Å; M728-N732 PolarHBondContact O-N 3.03Å; M728-N732 PolarHBondContact O-ND2 3.16Å
729	D	54.2	Low	46.3	Very low	80 Å²	80	86.5 Å²	86.5	43%	0.428	45%	0.447	S	S	.	.	H	α-helix	trans	-70.3	-27.8	-179.2	-75.6	-29.8	0	0	0	112.1	N726 N732 K733	N726-D729 PolarHBondContact O-N 3.43Å; D729-N732 PolarHBondContact O-N 3.44Å; D729-K733 WeakPolarHBondContact O-CG 3.43Å; D729-K733 PolarHBondContact O-N 2.93Å
730	T	56.6	Low	46.3	Very low	5 Å²	5	82.9 Å²	82.9	3%	0.031	42%	0.421	C	S	.	.	H	α-helix	trans	-74.1	-35.9	-178.6	-12.6	0	0	0	0	111.5	M725 M728 N732 K733 L863	M725-T730 HydrophobicContact CE-CG2 3.91Å; M728-T730 VanDerWaalsContact C-N 3.27Å; M728-T730 PolarHBondContact O-N 3.33Å; T730-N732 VanDerWaalsContact C-N 3.34Å; T730-K733 PolarHBondContact O-N 3.28Å; T730-L863 HydrophobicContact CG2-CD2 3.28Å; T730-L863 HydrophobicContact CG2-CG 3.86Å
731	C	56.7	Low	47	Very low	3 Å²	3	83.9 Å²	83.9	2%	0.02	43%	0.428	C	S	.	.	H	α-helix	trans	-68	-34.6	174.1	-46.8	0	0	0	0	111.5	M728 K733 L734 C788	M728-C731 PolarHBondContact O-N 2.85Å; C731-K733 VanDerWaalsContact C-N 3.29Å; C731-K733 PolarHBondContact O-N 3.18Å; C731-L734 HydrophobicContact CB-CD1 4.36Å; C731-L734 WeakPolarHBondContact O-CB 3.4Å; C731-L734 WeakPolarHBondContact O-CG 3.47Å; C731-L734 PolarHBondContact O-N 3.48Å; C731-C788 HydrophobicContact CB-CB 4.08Å; C731-C788 WeakPolarHBondContact CB-SG 3.35Å; C731-C788 WeakPolarHBondContact SG-CB 3.41Å; C731-C788 CovalentContact SG-SG 2.06Å; C731-C788 PolarHBondContact SG-SG 3.46Å
732	N	56	Low	47.4	Very low	75 Å²	75	81.1 Å²	81.1	40%	0.401	41%	0.41	S	S	.	.	H	α-helix	trans	-68	-24.7	178.2	-67.8	-20.9	0	0	0	113.9	M728 D729 T730 L734 P738	M728-N732 PolarHBondContact O-N 3.03Å; M728-N732 PolarHBondContact O-ND2 3.16Å; D729-N732 PolarHBondContact O-N 3.44Å; T730-N732 VanDerWaalsContact C-N 3.34Å; N732-L734 VanDerWaalsContact C-N 3.34Å; N732-P738 VanDerWaalsContact OD1-CA 3.24Å; N732-P738 WeakPolarHBondContact OD1-CA 3.36Å; N732-P738 WeakPolarHBondContact OD1-CB 2.93Å; N732-P738 VanDerWaalsContact OD1-CG 3.25Å; N732-P738 WeakPolarHBondContact OD1-CG 3.29Å
733	K	53.7	Low	48.1	Very low	94 Å²	94	76.5 Å²	76.5	41%	0.409	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.7	176.7	-69.9	-178.1	-172	-173.4	0	113.8	D729 T730 C731	D729-K733 WeakPolarHBondContact O-CG 3.43Å; D729-K733 PolarHBondContact O-N 2.93Å; T730-K733 PolarHBondContact O-N 3.28Å; C731-K733 VanDerWaalsContact C-N 3.29Å; C731-K733 PolarHBondContact O-N 3.18Å
734	L	57.6	Low	48.9	Very low	17 Å²	17	74.7 Å²	74.7	9%	0.089	38%	0.375	C	S	.	.	S	Bend	trans	-66.1	153.9	175.8	-63	167.2	0	0	0	110.1	C731 N732 W736 G737 L793 F854 L863	C731-L734 HydrophobicContact CB-CD1 4.36Å; C731-L734 WeakPolarHBondContact O-CB 3.4Å; C731-L734 WeakPolarHBondContact O-CG 3.47Å; C731-L734 PolarHBondContact O-N 3.48Å; N732-L734 VanDerWaalsContact C-N 3.34Å; L734-W736 HydrophobicContact CB-CG 4.38Å; L734-W736 PolarHBondContact O-N 2.99Å; L734-G737 PolarHBondContact O-N 3.35Å; L734-L793 HydrophobicContact CD1-CD1 4.05Å; L734-L793 HydrophobicContact CD1-CD2 3.32Å; L734-L793 HydrophobicContact CD1-CG 4.33Å; L734-L793 HydrophobicContact CD2-CD2 4.16Å; L734-L793 HydrophobicContact CG-CD2 4.34Å; L734-F854 HydrophobicContact CD2-CD1 4.41Å; L734-F854 HydrophobicContact CD2-CE1 4.14Å; L734-L863 HydrophobicContact CD2-CD1 3.51Å; L734-L863 HydrophobicContact CG-CD1 4.48Å
735	P	49.6	Very low	49.4	Very low	13 Å²	13	64.3 Å²	64.3	8%	0.084	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-36	177.2	-21.7	27.5	0	0	0	113	G737 P760 V853	P735-G737 VanDerWaalsContact C-N 3.25Å; P735-G737 PolarHBondContact O-N 3.35Å; P735-P760 HydrophobicContact CB-CB 4.47Å; P735-P760 WeakPolarHBondContact O-CB 3.02Å; P735-V853 WeakPolarHBondContact CD-O 3.33Å; P735-V853 WeakPolarHBondContact CG-O 3.16Å
736	W	54.9	Low	49.7	Very low	25 Å²	25	63.4 Å²	63.4	10%	0.095	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.4	-172.9	-12.4	105.8	0	0	0	114.1	L734 P782 R851 V853	L734-W736 HydrophobicContact CB-CG 4.38Å; L734-W736 PolarHBondContact O-N 2.99Å; W736-P782 HydrophobicContact CB-CB 4.43Å; W736-P782 HydrophobicContact CB-CG 3.52Å; W736-P782 HydrophobicContact CD2-CB 3.67Å; W736-P782 HydrophobicContact CD2-CG 3.74Å; W736-P782 HydrophobicContact CE3-CB 2.98Å; W736-P782 HydrophobicContact CE3-CG 3.27Å; W736-P782 HydrophobicContact CG-CB 4.3Å; W736-P782 HydrophobicContact CG-CG 3.9Å; W736-P782 HydrophobicContact CH2-CB 4.34Å; W736-P782 HydrophobicContact CZ3-CB 3.34Å; W736-P782 HydrophobicContact CZ3-CG 4.13Å; W736-R851 HydrophobicContact CZ2-CB 4.18Å; W736-V853 HydrophobicContact CH2-CB 3.98Å; W736-V853 HydrophobicContact CH2-CG2 4.33Å
737	G	51.8	Low	49.5	Very low	17 Å²	17	60.3 Å²	60.3	18%	0.175	33%	0.328	C	S	.	.			trans	67.7	-168.6	-177.4	0	0	0	0	0	114.6	L734 P735	L734-G737 PolarHBondContact O-N 3.35Å; P735-G737 VanDerWaalsContact C-N 3.25Å; P735-G737 PolarHBondContact O-N 3.35Å
738	P	46.7	Very low	49.1	Very low	75 Å²	75	60.1 Å²	60.1	49%	0.487	33%	0.332	S	S	.	.	S	Bend	trans	-53.5	162.9	174	-14.6	23	0	0	0	111.5	N732 S740	N732-P738 VanDerWaalsContact OD1-CA 3.24Å; N732-P738 WeakPolarHBondContact OD1-CA 3.36Å; N732-P738 WeakPolarHBondContact OD1-CB 2.93Å; N732-P738 VanDerWaalsContact OD1-CG 3.25Å; N732-P738 WeakPolarHBondContact OD1-CG 3.29Å; P738-S740 PolarHBondContact O-N 3.49Å
739	W	48	Very low	48.5	Very low	124 Å²	124	63 Å²	63	47%	0.47	34%	0.336	S	S	.	.			trans	-65.1	88.1	166.6	-46.3	-17.6	0	0	0	108.6	F727 C788	F727-W739 HydrophobicContact CE1-CZ2 4.42Å; W739-C788 HydrophobicContact CZ2-CB 3.32Å; W739-C788 VanDerWaalsContact CZ2-N 3.29Å; W739-C788 VanDerWaalsContact CZ2-O 3.22Å; W739-C788 WeakPolarHBondContact CZ2-O 3.46Å
740	S	39.9	Very low	47.5	Very low	35 Å²	35	65.4 Å²	65.4	25%	0.245	36%	0.356	C	S	.	.			trans	-82.1	133.4	160.5	59.8	0	0	0	0	107	P738 C742 R757	P738-S740 PolarHBondContact O-N 3.49Å; S740-C742 PolarHBondContact O-N 3.13Å; S740-R757 PolarHBondContact O-NE 2.8Å
741	T	47.5	Very low	46.6	Very low	125 Å²	125	67.5 Å²	67.5	77%	0.767	38%	0.378	S	S	*	.			trans	-43.8	141.1	153.5	47	0	0	0	0	108	I743	T741-I743 WeakPolarHBondContact O-CG1 3.39Å; T741-I743 PolarHBondContact O-N 3.02Å
742	C	48.7	Very low	45.6	Very low	42 Å²	42	70 Å²	70	28%	0.284	39%	0.391	S	S	.	.			trans	-46	115.5	172.4	-67.7	0	0	0	0	108.7	S740 R755 C780	S740-C742 PolarHBondContact O-N 3.13Å; C742-R755 HydrophobicContact CB-CB 3.54Å; C742-R755 HydrophobicContact CB-CG 3.71Å; C742-C780 WeakPolarHBondContact CA-SG 3.33Å; C742-C780 WeakPolarHBondContact CB-SG 3.44Å; C742-C780 WeakPolarHBondContact SG-CB 3.33Å; C742-C780 CovalentContact SG-SG 2.03Å; C742-C780 PolarHBondContact SG-SG 3.12Å
743	I	48.3	Very low	44.6	Very low	82 Å²	82	71.1 Å²	71.1	42%	0.421	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.5	177.7	-54.4	176.7	0	0	0	105.5	T741 A745 W756	T741-I743 WeakPolarHBondContact O-CG1 3.39Å; T741-I743 PolarHBondContact O-N 3.02Å; I743-A745 PolarHBondContact O-N 3.15Å; I743-W756 CarbonylContact C-O 3.35Å; I743-W756 WeakPolarHBondContact CA-O 3.01Å; I743-W756 WeakPolarHBondContact CB-O 3.31Å; I743-W756 PolarHBondContact N-O 2.93Å; I743-W756 PolarHBondContact O-N 3.37Å
744	N	47.1	Very low	44.4	Very low	100 Å²	100	67.9 Å²	67.9	54%	0.535	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	100.4	167.4	-75.8	-6.3	0	0	0	107.7	I753 Y754	N744-I753 HydrophobicContact CB-CG2 3.6Å; N744-I753 WeakPolarHBondContact ND2-CG2 3.44Å; N744-I753 VanDerWaalsContact OD1-CG2 3.27Å; N744-I753 WeakPolarHBondContact OD1-CG2 3.39Å; N744-Y754 CarbonylContact C-O 3.54Å; N744-Y754 VanDerWaalsContact CA-O 3.29Å; N744-Y754 WeakPolarHBondContact CA-O 3.31Å
745	A	45.6	Very low	43.9	Very low	24 Å²	24	75 Å²	75	20%	0.198	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117	177.6	0	0	0	0	0	109.4	I743 C747 Y754 W756	I743-A745 PolarHBondContact O-N 3.15Å; A745-C747 PolarHBondContact O-N 3.35Å; A745-C747 VanDerWaalsContact O-N 3.12Å; A745-Y754 PolarHBondContact N-O 3.2Å; A745-Y754 WeakPolarHBondContact O-CD2 3.22Å; A745-W756 HydrophobicContact CB-CB 4.18Å
746	T	39.8	Very low	44.1	Very low	104 Å²	104	74.7 Å²	74.7	64%	0.638	40%	0.404	S	S	*	.			trans	-81.1	80.1	175.2	50.3	0	0	0	0	109.6
747	C	39.4	Very low	44.1	Very low	14 Å²	14	74.5 Å²	74.5	10%	0.095	40%	0.403	C	S	.	.			trans	-101.8	99.5	167.9	-81.6	0	0	0	0	107.9	A745 Y754 E769	A745-C747 PolarHBondContact O-N 3.35Å; A745-C747 VanDerWaalsContact O-N 3.12Å; C747-Y754 WeakPolarHBondContact O-CE2 3.12Å; C747-E769 HydrophobicContact CB-CG 3.84Å; C747-E769 PolarHBondContact SG-OE1 2.85Å
748	T	39.7	Very low	44.4	Very low	69 Å²	69	84 Å²	84	42%	0.423	43%	0.433	S	S	.	.	S	Bend	trans	85	120	172.7	74.5	0	0	0	0	117.7	Y754 E769	T748-Y754 PolarHBondContact O-OH 3.49Å; T748-E769 HydrophobicContact CG2-CB 4.03Å; T748-E769 HydrophobicContact CG2-CG 4.22Å; T748-E769 WeakPolarHBondContact CG2-O 3.34Å
749	R	37	Very low	45.2	Very low	200 Å²	200	82.3 Å²	82.3	76%	0.755	42%	0.419	S	S	*	.	S	Bend	trans	72.5	127.1	-171	-65	-174.4	178.7	174.5	0.8	116	G751	R749-G751 PolarHBondContact O-N 3.27Å
750	P	33.6	Very low	45.8	Very low	131 Å²	131	78.5 Å²	78.5	85%	0.851	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	132	168.3	-16	28.1	0	0	0	109.3
751	G	36.6	Very low	47.2	Very low	49 Å²	49	78.5 Å²	78.5	51%	0.505	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-3.6	175	0	0	0	0	0	117.3	R749	R749-G751 PolarHBondContact O-N 3.27Å
752	M	35.1	Very low	48.5	Very low	56 Å²	56	78.5 Å²	78.5	28%	0.276	40%	0.398	S	S	.	.			trans	-102.1	111.2	174.3	-61	-120.3	-69.7	0	0	111	Y754	M752-Y754 HydrophobicContact CB-CE1 4.32Å; M752-Y754 HydrophobicContact CB-CE2 3.9Å; M752-Y754 HydrophobicContact CE-CE1 4Å; M752-Y754 WeakPolarHBondContact CE-OH 3.32Å
753	I	36.5	Very low	49.8	Very low	98 Å²	98	77.4 Å²	77.4	50%	0.503	39%	0.392	S	S	.	.			trans	-90.8	115.5	175.5	-64.1	175.1	0	0	0	108.5	N744	N744-I753 HydrophobicContact CB-CG2 3.6Å; N744-I753 WeakPolarHBondContact ND2-CG2 3.44Å; N744-I753 VanDerWaalsContact OD1-CG2 3.27Å; N744-I753 WeakPolarHBondContact OD1-CG2 3.39Å
754	Y	48.4	Very low	51.1	Low	26 Å²	26	73.5 Å²	73.5	10%	0.102	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.8	175.5	-51	-81.4	0	0	0	112.1	N744 A745 C747 T748 M752 W756	N744-Y754 CarbonylContact C-O 3.54Å; N744-Y754 VanDerWaalsContact CA-O 3.29Å; N744-Y754 WeakPolarHBondContact CA-O 3.31Å; A745-Y754 PolarHBondContact N-O 3.2Å; A745-Y754 WeakPolarHBondContact O-CD2 3.22Å; C747-Y754 WeakPolarHBondContact O-CE2 3.12Å; T748-Y754 PolarHBondContact O-OH 3.49Å; M752-Y754 HydrophobicContact CB-CE1 4.32Å; M752-Y754 HydrophobicContact CB-CE2 3.9Å; M752-Y754 HydrophobicContact CE-CE1 4Å; M752-Y754 WeakPolarHBondContact CE-OH 3.32Å; Y754-W756 AromaticContact CG-NE1 3.51Å; Y754-W756 PolarHBondContact O-N 2.97Å
755	R	46.9	Very low	52.3	Low	167 Å²	167	72.3 Å²	72.3	63%	0.63	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	96.6	176.4	-81.9	-174.8	-178.8	-178.3	2.4	110.9	C742	C742-R755 HydrophobicContact CB-CB 3.54Å; C742-R755 HydrophobicContact CB-CG 3.71Å
756	W	54	Low	53.8	Low	6 Å²	6	72.4 Å²	72.4	2%	0.023	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.1	176.7	-56.5	96.5	0	0	0	112.4	I743 A745 Y754 F759 C768 A774 W781 L838	I743-W756 CarbonylContact C-O 3.35Å; I743-W756 WeakPolarHBondContact CA-O 3.01Å; I743-W756 WeakPolarHBondContact CB-O 3.31Å; I743-W756 PolarHBondContact N-O 2.93Å; I743-W756 PolarHBondContact O-N 3.37Å; A745-W756 HydrophobicContact CB-CB 4.18Å; Y754-W756 AromaticContact CG-NE1 3.51Å; Y754-W756 PolarHBondContact O-N 2.97Å; W756-F759 HydrophobicContact CE3-CE1 4.42Å; W756-F759 HydrophobicContact CG-CZ 4.45Å; W756-C768 VanDerWaalsContact CZ2-SG 3.5Å; W756-A774 HydrophobicContact CH2-CB 4.1Å; W756-A774 HydrophobicContact CZ2-CB 4.12Å; W756-W781 HydrophobicContact CE3-CB 3.73Å; W756-W781 HydrophobicContact CE3-CE3 4.25Å; W756-W781 HydrophobicContact CH2-CB 4.49Å; W756-W781 HydrophobicContact CZ3-CB 3.39Å; W756-W781 HydrophobicContact CZ3-CD2 4.37Å; W756-W781 HydrophobicContact CZ3-CE3 4.01Å; W756-W781 HydrophobicContact CZ3-CG 4.21Å; W756-L838 HydrophobicContact CH2-CD1 4.11Å; W756-L838 HydrophobicContact CZ3-CD1 4.18Å
757	R	55.7	Low	55.5	Low	20 Å²	20	67.8 Å²	67.8	8%	0.075	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-83.3	165.8	164	-65.3	-168.1	179.4	-167.3	2.6	109.9	S740 F759 S784	S740-R757 PolarHBondContact O-NE 2.8Å; R757-F759 PolarHBondContact O-N 3.39Å; R757-F759 VanDerWaalsContact O-N 3.1Å; R757-S784 VanDerWaalsContact NH2-CB 3.28Å
758	R	58.9	Low	57	Low	216 Å²	216	67.3 Å²	67.3	82%	0.815	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-51.3	119.8	170.1	-171.7	175.8	-174.1	173.8	2.6	108.9
759	F	62.8	Low	58.4	Low	41 Å²	41	67.2 Å²	67.2	18%	0.18	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57	133.5	-177.3	-69	-75	0	0	0	110.5	W756 R757 D761 K765 C768 W781	W756-F759 HydrophobicContact CE3-CE1 4.42Å; W756-F759 HydrophobicContact CG-CZ 4.45Å; R757-F759 PolarHBondContact O-N 3.39Å; R757-F759 VanDerWaalsContact O-N 3.1Å; F759-D761 VanDerWaalsContact C-N 3.25Å; F759-D761 PolarHBondContact O-N 2.94Å; F759-K765 HydrophobicContact CB-CB 3.99Å; F759-K765 HydrophobicContact CD1-CB 4.18Å; F759-K765 HydrophobicContact CD2-CB 3.73Å; F759-K765 HydrophobicContact CD2-CD 4.24Å; F759-K765 HydrophobicContact CD2-CG 3.76Å; F759-K765 HydrophobicContact CE2-CB 4.24Å; F759-K765 HydrophobicContact CE2-CG 3.95Å; F759-K765 HydrophobicContact CG-CB 3.69Å; F759-K765 HydrophobicContact CG-CG 4.26Å; F759-C768 HydrophobicContact CE1-CB 3.57Å; F759-C768 HydrophobicContact CZ-CB 3.76Å; F759-W781 HydrophobicContact CD1-CZ3 4.28Å; F759-W781 HydrophobicContact CE1-CE3 4.45Å; F759-W781 HydrophobicContact CE1-CZ3 4.29Å
760	P	61	Low	60.2	Low	43 Å²	43	66 Å²	66	28%	0.279	32%	0.32	S	S	.	.	S	Bend	trans	-70.8	-22.4	-174.6	30.1	-37.8	0	0	0	113.1	P735	P735-P760 HydrophobicContact CB-CB 4.47Å; P735-P760 WeakPolarHBondContact O-CB 3.02Å
761	D	69.2	Low	61.9	Low	35 Å²	35	60.9 Å²	60.9	19%	0.187	28%	0.284	C	S	.	.	S	Bend	trans	-161.4	166.9	179.2	64.2	78.6	0	0	0	110.4	F759 A763 S764 K765 R817	F759-D761 VanDerWaalsContact C-N 3.25Å; F759-D761 PolarHBondContact O-N 2.94Å; D761-A763 VanDerWaalsContact C-N 3.34Å; D761-A763 PolarHBondContact O-N 3.3Å; D761-A763 WeakPolarHBondContact OD1-CA 3.3Å; D761-A763 VanDerWaalsContact OD1-CB 3.27Å; D761-A763 WeakPolarHBondContact OD1-CB 3.35Å; D761-A763 PolarHBondContact OD1-N 2.89Å; D761-S764 PolarHBondContact O-N 3.26Å; D761-S764 PolarHBondContact OD1-N 2.86Å; D761-S764 PolarHBondContact OD1-OG 2.9Å; D761-S764 PolarHBondContact OD2-OG 3.12Å; D761-K765 PolarHBondContact O-N 2.92Å; D761-R817 IonicContact OD2-CZ 3.81Å; D761-R817 IonicContact OD2-NH2 3.98Å; D761-R817 PolarHBondContact OD2-NH2 2.85Å
762	Q	74.9	Confident	63.5	Low	125 Å²	125	63.9 Å²	63.9	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-66.6	-31.1	-178.3	-173.8	62.9	15.5	0	0	113.2	K765 V766	Q762-K765 PolarHBondContact O-N 3.48Å; Q762-V766 HydrophobicContact CG-CG2 4.4Å; Q762-V766 VanDerWaalsContact O-CG2 3.3Å; Q762-V766 WeakPolarHBondContact O-CG2 3.47Å; Q762-V766 PolarHBondContact O-N 3.27Å
763	A	76.2	Confident	65	Low	20 Å²	20	64.7 Å²	64.7	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-37.3	178.9	0	0	0	0	0	111.2	D761 V766 A767 N813 T815 P834	D761-A763 VanDerWaalsContact C-N 3.34Å; D761-A763 PolarHBondContact O-N 3.3Å; D761-A763 WeakPolarHBondContact OD1-CA 3.3Å; D761-A763 VanDerWaalsContact OD1-CB 3.27Å; D761-A763 WeakPolarHBondContact OD1-CB 3.35Å; D761-A763 PolarHBondContact OD1-N 2.89Å; A763-V766 PolarHBondContact O-N 3.21Å; A763-A767 VanDerWaalsContact O-CB 3.26Å; A763-A767 WeakPolarHBondContact O-CB 3.18Å; A763-A767 PolarHBondContact O-N 3.4Å; A763-N813 HydrophobicContact CB-CB 4.49Å; A763-T815 HydrophobicContact CB-CG2 3.73Å; A763-P834 HydrophobicContact CB-CG 4.06Å
764	S	74.7	Confident	66.4	Low	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-41.1	172.4	-63.6	0	0	0	0	112.2	D761 C768	D761-S764 PolarHBondContact O-N 3.26Å; D761-S764 PolarHBondContact OD1-N 2.86Å; D761-S764 PolarHBondContact OD1-OG 2.9Å; D761-S764 PolarHBondContact OD2-OG 3.12Å; S764-C768 PolarHBondContact O-N 2.64Å; S764-C768 VanDerWaalsContact O-N 3.15Å
765	K	73.2	Confident	66.7	Low	74 Å²	74	61.6 Å²	61.6	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-50.6	173.4	-179.9	176.8	172.2	-179.9	0	111.7	F759 D761 Q762 A767 C768 E769	F759-K765 HydrophobicContact CB-CB 3.99Å; F759-K765 HydrophobicContact CD1-CB 4.18Å; F759-K765 HydrophobicContact CD2-CB 3.73Å; F759-K765 HydrophobicContact CD2-CD 4.24Å; F759-K765 HydrophobicContact CD2-CG 3.76Å; F759-K765 HydrophobicContact CE2-CB 4.24Å; F759-K765 HydrophobicContact CE2-CG 3.95Å; F759-K765 HydrophobicContact CG-CB 3.69Å; F759-K765 HydrophobicContact CG-CG 4.26Å; D761-K765 PolarHBondContact O-N 2.92Å; Q762-K765 PolarHBondContact O-N 3.48Å; K765-A767 VanDerWaalsContact C-N 3.34Å; K765-A767 PolarHBondContact O-N 2.74Å; K765-C768 WeakPolarHBondContact O-CB 3.42Å; K765-C768 PolarHBondContact O-N 2.84Å; K765-E769 WeakPolarHBondContact CE-OE1 3.18Å; K765-E769 IonicContact NZ-OE1 2.64Å; K765-E769 WeakPolarHBondContact O-CG 3.21Å; K765-E769 PolarHBondContact O-N 2.96Å
766	V	76	Confident	67.3	Low	27 Å²	27	59.4 Å²	59.4	16%	0.164	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-38.4	-179.7	171.5	0	0	0	0	111.9	Q762 A763 C768 E769 R770	Q762-V766 HydrophobicContact CG-CG2 4.4Å; Q762-V766 VanDerWaalsContact O-CG2 3.3Å; Q762-V766 WeakPolarHBondContact O-CG2 3.47Å; Q762-V766 PolarHBondContact O-N 3.27Å; A763-V766 PolarHBondContact O-N 3.21Å; V766-C768 VanDerWaalsContact C-N 3.34Å; V766-E769 PolarHBondContact O-N 2.56Å; V766-R770 HydrophobicContact CG1-CG 4.29Å; V766-R770 WeakPolarHBondContact O-CB 3.49Å; V766-R770 VanDerWaalsContact O-CG 3.31Å; V766-R770 WeakPolarHBondContact O-CG 3.37Å; V766-R770 PolarHBondContact O-N 2.84Å
767	A	75.7	Confident	67.6	Low	6 Å²	6	60.4 Å²	60.4	5%	0.05	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-43.9	175	0	0	0	0	0	111.9	A763 K765 R770 H771 P834 E835	A763-A767 VanDerWaalsContact O-CB 3.26Å; A763-A767 WeakPolarHBondContact O-CB 3.18Å; A763-A767 PolarHBondContact O-N 3.4Å; K765-A767 VanDerWaalsContact C-N 3.34Å; K765-A767 PolarHBondContact O-N 2.74Å; A767-R770 PolarHBondContact O-N 2.86Å; A767-H771 WeakPolarHBondContact O-CB 2.94Å; A767-H771 PolarHBondContact O-N 3.16Å; A767-P834 HydrophobicContact CB-CB 3.99Å; A767-E835 HydrophobicContact CB-CB 3.92Å
768	C	70.3	Confident	67.5	Low	5 Å²	5	66.8 Å²	66.8	3%	0.034	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-47.7	174.3	-176.6	0	0	0	0	111.9	W756 F759 S764 K765 V766 R770 H771 L838	W756-C768 VanDerWaalsContact CZ2-SG 3.5Å; F759-C768 HydrophobicContact CE1-CB 3.57Å; F759-C768 HydrophobicContact CZ-CB 3.76Å; S764-C768 PolarHBondContact O-N 2.64Å; S764-C768 VanDerWaalsContact O-N 3.15Å; K765-C768 WeakPolarHBondContact O-CB 3.42Å; K765-C768 PolarHBondContact O-N 2.84Å; V766-C768 VanDerWaalsContact C-N 3.34Å; C768-R770 PolarHBondContact O-N 2.86Å; C768-H771 PolarHBondContact O-N 3.12Å; C768-L838 HydrophobicContact CB-CD2 4.44Å
769	E	69.9	Low	67.4	Low	67 Å²	67	59.9 Å²	59.9	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-26.2	-179.1	-72.8	171.8	168.3	0	0	113.1	C747 T748 K765 V766	C747-E769 HydrophobicContact CB-CG 3.84Å; C747-E769 PolarHBondContact SG-OE1 2.85Å; T748-E769 HydrophobicContact CG2-CB 4.03Å; T748-E769 HydrophobicContact CG2-CG 4.22Å; T748-E769 WeakPolarHBondContact CG2-O 3.34Å; K765-E769 WeakPolarHBondContact CE-OE1 3.18Å; K765-E769 IonicContact NZ-OE1 2.64Å; K765-E769 WeakPolarHBondContact O-CG 3.21Å; K765-E769 PolarHBondContact O-N 2.96Å; V766-E769 PolarHBondContact O-N 2.56Å
770	R	74.1	Confident	67.2	Low	174 Å²	174	58 Å²	58	66%	0.657	30%	0.304	S	S	*	.	H	α-helix	trans	-92.9	-18	-179.5	-71.6	-178.6	178	-174.3	-0.7	114.2	V766 A767 C768 P772	V766-R770 HydrophobicContact CG1-CG 4.29Å; V766-R770 WeakPolarHBondContact O-CB 3.49Å; V766-R770 VanDerWaalsContact O-CG 3.31Å; V766-R770 WeakPolarHBondContact O-CG 3.37Å; V766-R770 PolarHBondContact O-N 2.84Å; A767-R770 PolarHBondContact O-N 2.86Å; C768-R770 PolarHBondContact O-N 2.86Å; R770-P772 WeakPolarHBondContact O-CD 3.24Å
771	H	71	Confident	67.2	Low	24 Å²	24	56.1 Å²	56.1	11%	0.111	29%	0.292	C	S	.	.			trans	-86.2	113.9	-172.1	-163.6	-75.7	0	0	0	111.6	A767 C768 L773 A774 L838 R839	A767-H771 WeakPolarHBondContact O-CB 2.94Å; A767-H771 PolarHBondContact O-N 3.16Å; C768-H771 PolarHBondContact O-N 3.12Å; H771-L773 PolarHBondContact ND1-N 2.94Å; H771-L773 PolarHBondContact O-N 3.36Å; H771-L773 VanDerWaalsContact O-N 3.15Å; H771-A774 HydrophobicContact CB-CB 4.23Å; H771-A774 PolarHBondContact ND1-N 2.83Å; H771-A774 WeakPolarHBondContact O-CB 2.88Å; H771-A774 PolarHBondContact O-N 3.04Å; H771-A774 VanDerWaalsContact O-N 3.13Å; H771-L838 HydrophobicContact CB-CD2 3.63Å; H771-R839 WeakPolarHBondContact NE2-CG 3.41Å
772	P	69.1	Low	66.7	Low	112 Å²	112	54.7 Å²	54.7	73%	0.727	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-24.5	-169.6	25	-34	0	0	0	114.1	R770	R770-P772 WeakPolarHBondContact O-CD 3.24Å
773	L	67.8	Low	65.8	Low	73 Å²	73	49.6 Å²	49.6	38%	0.382	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	9.5	-178.5	-54.8	174.2	0	0	0	113	H771 S775 Q776 V842	H771-L773 PolarHBondContact ND1-N 2.94Å; H771-L773 PolarHBondContact O-N 3.36Å; H771-L773 VanDerWaalsContact O-N 3.15Å; L773-S775 PolarHBondContact O-N 3.29Å; L773-S775 VanDerWaalsContact O-N 3.12Å; L773-Q776 WeakPolarHBondContact O-CB 3.35Å; L773-Q776 PolarHBondContact O-N 3.25Å; L773-V842 HydrophobicContact CB-CG1 3.63Å; L773-V842 HydrophobicContact CB-CG2 4.43Å; L773-V842 HydrophobicContact CD1-CG1 3.98Å; L773-V842 HydrophobicContact CG-CG1 4.47Å
774	A	64.2	Low	64.6	Low	7 Å²	7	50.5 Å²	50.5	6%	0.058	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-58.7	-24.2	176.5	0	0	0	0	0	112.4	W756 H771 Q776 L838	W756-A774 HydrophobicContact CH2-CB 4.1Å; W756-A774 HydrophobicContact CZ2-CB 4.12Å; H771-A774 HydrophobicContact CB-CB 4.23Å; H771-A774 PolarHBondContact ND1-N 2.83Å; H771-A774 WeakPolarHBondContact O-CB 2.88Å; H771-A774 PolarHBondContact O-N 3.04Å; H771-A774 VanDerWaalsContact O-N 3.13Å; A774-Q776 PolarHBondContact O-N 3.39Å; A774-L838 HydrophobicContact CB-CD2 4.29Å
775	S	55.1	Low	63.4	Low	51 Å²	51	51.9 Å²	51.9	36%	0.357	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-65.4	-19.1	174.6	59.4	0	0	0	0	115	L773 V777	L773-S775 PolarHBondContact O-N 3.29Å; L773-S775 VanDerWaalsContact O-N 3.12Å; S775-V777 VanDerWaalsContact C-N 3.29Å
776	Q	60.7	Low	62.2	Low	121 Å²	121	57.7 Å²	57.7	57%	0.565	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-88.2	3.4	-176.4	-60.4	-176.8	-12.1	0	0	112.9	L773 A774	L773-Q776 WeakPolarHBondContact O-CB 3.35Å; L773-Q776 PolarHBondContact O-N 3.25Å; A774-Q776 PolarHBondContact O-N 3.39Å
777	V	59.5	Low	60.9	Low	27 Å²	27	62.6 Å²	62.6	16%	0.164	32%	0.321	C	S	.	.			trans	-93.9	108.6	-177.1	-172.3	0	0	0	0	109.8	S775 T779 L841 V842	S775-V777 VanDerWaalsContact C-N 3.29Å; V777-T779 VanDerWaalsContact CG1-O 3.23Å; V777-T779 WeakPolarHBondContact CG1-O 3.49Å; V777-T779 WeakPolarHBondContact CG1-OG1 3.48Å; V777-T779 PolarHBondContact O-N 3.24Å; V777-L841 HydrophobicContact CG1-CD2 3.5Å; V777-L841 VanDerWaalsContact CG1-CD2 3.5Å; V777-L841 HydrophobicContact CG1-CG 3.85Å; V777-L841 HydrophobicContact CG2-CD2 4.35Å; V777-L841 HydrophobicContact CG2-CG 4.49Å; V777-V842 HydrophobicContact CG2-CG2 3.73Å
778	D	53.2	Low	60	Low	154 Å²	154	62.5 Å²	62.5	82%	0.824	32%	0.321	S	S	*	.			trans	-76.8	-8.1	179.5	-68.1	-26.4	0	0	0	113.8
779	T	56.7	Low	59.4	Low	71 Å²	71	63.6 Å²	63.6	44%	0.436	33%	0.328	S	S	.	.	S	Bend	trans	-108.6	141.3	-179.6	60	0	0	0	0	111.4	V777 W781	V777-T779 VanDerWaalsContact CG1-O 3.23Å; V777-T779 WeakPolarHBondContact CG1-O 3.49Å; V777-T779 WeakPolarHBondContact CG1-OG1 3.48Å; V777-T779 PolarHBondContact O-N 3.24Å; T779-W781 PolarHBondContact O-N 2.91Å
780	C	58.6	Low	59	Low	2 Å²	2	63.8 Å²	63.8	1%	0.014	33%	0.331	C	S	.	.			trans	-52.4	131.6	169.4	-106.9	0	0	0	0	110.7	C742 P782 P783	C742-C780 WeakPolarHBondContact CA-SG 3.33Å; C742-C780 WeakPolarHBondContact CB-SG 3.44Å; C742-C780 WeakPolarHBondContact SG-CB 3.33Å; C742-C780 CovalentContact SG-SG 2.03Å; C742-C780 PolarHBondContact SG-SG 3.12Å; C780-P782 CarbonylContact C-O 3.54Å; C780-P782 CarbonylContact O-C 3.59Å; C780-P783 VanDerWaalsContact O-CA 3.26Å; C780-P783 WeakPolarHBondContact O-CA 3.37Å
781	W	60.8	Low	58.5	Low	3 Å²	3	59 Å²	59	1%	0.011	32%	0.324	C	S	.	.	S	Bend	trans	-104.2	136.6	162.6	-174.3	71.4	0	0	0	109.7	W756 F759 T779 Y832 P834 H837 L838 L841	W756-W781 HydrophobicContact CE3-CB 3.73Å; W756-W781 HydrophobicContact CE3-CE3 4.25Å; W756-W781 HydrophobicContact CH2-CB 4.49Å; W756-W781 HydrophobicContact CZ3-CB 3.39Å; W756-W781 HydrophobicContact CZ3-CD2 4.37Å; W756-W781 HydrophobicContact CZ3-CE3 4.01Å; W756-W781 HydrophobicContact CZ3-CG 4.21Å; F759-W781 HydrophobicContact CD1-CZ3 4.28Å; F759-W781 HydrophobicContact CE1-CE3 4.45Å; F759-W781 HydrophobicContact CE1-CZ3 4.29Å; T779-W781 PolarHBondContact O-N 2.91Å; W781-Y832 WeakPolarHBondContact CZ2-OH 3.41Å; W781-P834 HydrophobicContact CH2-CB 3.85Å; W781-P834 HydrophobicContact CZ2-CB 4.26Å; W781-H837 AromaticContact NE1-ND1 3.84Å; W781-L838 HydrophobicContact CD2-CD1 4.35Å; W781-L838 HydrophobicContact CG-CD1 4.4Å; W781-L841 HydrophobicContact CB-CD2 3.84Å; W781-L841 HydrophobicContact CG-CD2 3.97Å
782	P	59.4	Low	58.1	Low	5 Å²	5	60.5 Å²	60.5	3%	0.032	33%	0.331	C	S	.	.	S	Bend	cis	-59.2	153.9	-12.5	30.3	-41.5	0	0	0	113.4	W736 C780 S784	W736-P782 HydrophobicContact CB-CB 4.43Å; W736-P782 HydrophobicContact CB-CG 3.52Å; W736-P782 HydrophobicContact CD2-CB 3.67Å; W736-P782 HydrophobicContact CD2-CG 3.74Å; W736-P782 HydrophobicContact CE3-CB 2.98Å; W736-P782 HydrophobicContact CE3-CG 3.27Å; W736-P782 HydrophobicContact CG-CB 4.3Å; W736-P782 HydrophobicContact CG-CG 3.9Å; W736-P782 HydrophobicContact CH2-CB 4.34Å; W736-P782 HydrophobicContact CZ3-CB 3.34Å; W736-P782 HydrophobicContact CZ3-CG 4.13Å; C780-P782 CarbonylContact C-O 3.54Å; C780-P782 CarbonylContact O-C 3.59Å; P782-S784 PolarHBondContact O-N 3.5Å
783	P	55.7	Low	57.9	Low	19 Å²	19	55.6 Å²	55.6	12%	0.123	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-48.2	133.3	-176.9	-25	30.1	0	0	0	112.8	C780 L849	C780-P783 VanDerWaalsContact O-CA 3.26Å; C780-P783 WeakPolarHBondContact O-CA 3.37Å; P783-L849 HydrophobicContact CB-CD2 4.36Å; P783-L849 HydrophobicContact CG-CD2 4.07Å
784	S	50.3	Low	57.9	Low	39 Å²	39	53.9 Å²	53.9	27%	0.273	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-82.5	129	176.8	60.1	0	0	0	0	111.6	R757 P782	R757-S784 VanDerWaalsContact NH2-CB 3.28Å; P782-S784 PolarHBondContact O-N 3.5Å
785	N	49.6	Very low	58.3	Low	28 Å²	28	55.9 Å²	55.9	15%	0.15	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-78.5	123.3	153.2	-71.7	9.7	0	0	0	108.1	Q787 E792 R851	N785-Q787 PolarHBondContact O-N 3.12Å; N785-E792 VanDerWaalsContact CB-OE2 3.29Å; N785-E792 WeakPolarHBondContact CB-OE2 3.24Å; N785-E792 PolarHBondContact ND2-OE2 3.35Å; N785-R851 PolarHBondContact ND2-NH1 3.43Å; N785-R851 VanDerWaalsContact OD1-CD 3.25Å; N785-R851 WeakPolarHBondContact OD1-CD 3.38Å; N785-R851 PolarHBondContact OD1-NH1 2.91Å
786	F	48	Very low	59.3	Low	196 Å²	196	53.6 Å²	53.6	86%	0.86	29%	0.285	S	S	*	.	S	Bend	trans	-61.8	-20.9	173.3	-78.4	-82.9	0	0	0	112
787	Q	49.9	Very low	60.4	Low	130 Å²	130	47.9 Å²	47.9	61%	0.607	26%	0.258	S	S	*	.	S	Bend	trans	-144.2	109.9	172.7	-60.8	177.6	0.2	0	0	107.1	N785 S789	N785-Q787 PolarHBondContact O-N 3.12Å; Q787-S789 VanDerWaalsContact C-N 3.34Å; Q787-S789 PolarHBondContact O-N 3.46Å
788	C	56.3	Low	61.4	Low	5 Å²	5	47.8 Å²	47.8	3%	0.034	26%	0.257	C	S	.	.			trans	-68.4	111.2	160.1	167.4	0	0	0	0	103.1	F727 C731 W739 L793	F727-C788 WeakPolarHBondContact CE1-O 3.38Å; F727-C788 VanDerWaalsContact CZ-C 3.4Å; F727-C788 WeakPolarHBondContact CZ-O 3.31Å; C731-C788 HydrophobicContact CB-CB 4.08Å; C731-C788 WeakPolarHBondContact CB-SG 3.35Å; C731-C788 WeakPolarHBondContact SG-CB 3.41Å; C731-C788 CovalentContact SG-SG 2.06Å; C731-C788 PolarHBondContact SG-SG 3.46Å; W739-C788 HydrophobicContact CZ2-CB 3.32Å; W739-C788 VanDerWaalsContact CZ2-N 3.29Å; W739-C788 VanDerWaalsContact CZ2-O 3.22Å; W739-C788 WeakPolarHBondContact CZ2-O 3.46Å; C788-L793 WeakPolarHBondContact SG-CD1 3.17Å; C788-L793 WeakPolarHBondContact SG-CG 3.3Å
789	S	58.1	Low	62.8	Low	28 Å²	28	42.7 Å²	42.7	20%	0.196	23%	0.228	C	C	.	.			trans	-104.2	153.6	161.8	59.3	0	0	0	0	106.7	Q787 S791 E792 L793	Q787-S789 VanDerWaalsContact C-N 3.34Å; Q787-S789 PolarHBondContact O-N 3.46Å; S789-S791 VanDerWaalsContact CB-OG 3.32Å; S789-S791 WeakPolarHBondContact CB-OG 3.21Å; S789-S791 PolarHBondContact O-N 3.01Å; S789-S791 PolarHBondContact OG-OG 2.81Å; S789-E792 PolarHBondContact O-N 3.39Å; S789-E792 VanDerWaalsContact OG-CB 3.29Å; S789-E792 WeakPolarHBondContact OG-CB 3.37Å; S789-E792 VanDerWaalsContact OG-CG 3.24Å; S789-E792 WeakPolarHBondContact OG-CG 3.39Å; S789-E792 PolarHBondContact OG-N 3.35Å; S789-L793 PolarHBondContact O-N 3.06Å
790	L	61.6	Low	64	Low	70 Å²	70	44.1 Å²	44.1	37%	0.366	23%	0.229	S	C	.	.	H	α-helix	trans	-58.9	-40	178.4	-161.6	92.2	0	0	0	108.4	F727 E792 L793 Q794	F727-L790 HydrophobicContact CD2-CB 4.04Å; F727-L790 HydrophobicContact CD2-CD1 3.97Å; F727-L790 VanDerWaalsContact CE2-CA 3.47Å; F727-L790 HydrophobicContact CE2-CB 3.64Å; F727-L790 HydrophobicContact CE2-CD1 4.04Å; F727-L790 HydrophobicContact CE2-CG 4.47Å; F727-L790 VanDerWaalsContact CZ-N 3.31Å; L790-E792 VanDerWaalsContact C-N 3.35Å; L790-E792 PolarHBondContact O-N 3.11Å; L790-L793 PolarHBondContact O-N 3.13Å; L790-Q794 VanDerWaalsContact CD2-NE2 3.27Å; L790-Q794 HydrophobicContact CG-CG 4.42Å; L790-Q794 VanDerWaalsContact O-CB 3.3Å; L790-Q794 WeakPolarHBondContact O-CB 3.2Å; L790-Q794 WeakPolarHBondContact O-CG 3.37Å; L790-Q794 PolarHBondContact O-N 2.89Å
791	S	63.5	Low	65.1	Low	73 Å²	73	45 Å²	45	51%	0.51	24%	0.235	S	C	.	.	H	α-helix	trans	-54.2	-44.5	171	43.2	0	0	0	0	113.1	S789 Q794 T795	S789-S791 VanDerWaalsContact CB-OG 3.32Å; S789-S791 WeakPolarHBondContact CB-OG 3.21Å; S789-S791 PolarHBondContact O-N 3.01Å; S789-S791 PolarHBondContact OG-OG 2.81Å; S791-Q794 PolarHBondContact O-N 2.95Å; S791-T795 WeakPolarHBondContact O-CG2 3.02Å; S791-T795 PolarHBondContact O-N 2.81Å; S791-T795 PolarHBondContact O-OG1 3.06Å
792	E	62.9	Low	65.8	Low	56 Å²	56	44.9 Å²	44.9	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-69.7	-37.9	178.8	-83.1	-177.1	-146.8	0	0	113.1	N785 S789 L790 Q794 T795 A796 R851	N785-E792 VanDerWaalsContact CB-OE2 3.29Å; N785-E792 WeakPolarHBondContact CB-OE2 3.24Å; N785-E792 PolarHBondContact ND2-OE2 3.35Å; S789-E792 PolarHBondContact O-N 3.39Å; S789-E792 VanDerWaalsContact OG-CB 3.29Å; S789-E792 WeakPolarHBondContact OG-CB 3.37Å; S789-E792 VanDerWaalsContact OG-CG 3.24Å; S789-E792 WeakPolarHBondContact OG-CG 3.39Å; S789-E792 PolarHBondContact OG-N 3.35Å; L790-E792 VanDerWaalsContact C-N 3.35Å; L790-E792 PolarHBondContact O-N 3.11Å; E792-Q794 VanDerWaalsContact C-N 3.31Å; E792-T795 VanDerWaalsContact C-OG1 3.27Å; E792-T795 VanDerWaalsContact CA-OG1 3.25Å; E792-T795 WeakPolarHBondContact CA-OG1 3.49Å; E792-T795 PolarHBondContact O-N 2.74Å; E792-T795 PolarHBondContact O-OG1 3.12Å; E792-A796 PolarHBondContact O-N 3.17Å; E792-R851 IonicContact OE2-NH1 2.71Å
793	L	64.3	Low	66.4	Low	9 Å²	9	46 Å²	46	5%	0.047	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-35	173.2	-66.1	-170.8	0	0	0	112.4	L734 C788 S789 L790 T795 A796 C797 L863	L734-L793 HydrophobicContact CD1-CD1 4.05Å; L734-L793 HydrophobicContact CD1-CD2 3.32Å; L734-L793 HydrophobicContact CD1-CG 4.33Å; L734-L793 HydrophobicContact CD2-CD2 4.16Å; L734-L793 HydrophobicContact CG-CD2 4.34Å; C788-L793 WeakPolarHBondContact SG-CD1 3.17Å; C788-L793 WeakPolarHBondContact SG-CG 3.3Å; S789-L793 PolarHBondContact O-N 3.06Å; L790-L793 PolarHBondContact O-N 3.13Å; L793-T795 VanDerWaalsContact C-N 3.34Å; L793-A796 WeakPolarHBondContact O-CB 3.09Å; L793-A796 PolarHBondContact O-N 2.83Å; L793-C797 PolarHBondContact O-N 2.79Å; L793-L863 HydrophobicContact CB-CD2 4.23Å; L793-L863 HydrophobicContact CD1-CD2 3.74Å
794	Q	67.5	Low	66.6	Low	37 Å²	37	46.2 Å²	46.2	17%	0.173	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-35.4	174.3	-68.5	174.6	-26	0	0	110.8	L790 S791 E792 A796 C797 I869	L790-Q794 VanDerWaalsContact CD2-NE2 3.27Å; L790-Q794 HydrophobicContact CG-CG 4.42Å; L790-Q794 VanDerWaalsContact O-CB 3.3Å; L790-Q794 WeakPolarHBondContact O-CB 3.2Å; L790-Q794 WeakPolarHBondContact O-CG 3.37Å; L790-Q794 PolarHBondContact O-N 2.89Å; S791-Q794 PolarHBondContact O-N 2.95Å; E792-Q794 VanDerWaalsContact C-N 3.31Å; Q794-A796 VanDerWaalsContact C-N 3.3Å; Q794-A796 PolarHBondContact O-N 2.86Å; Q794-C797 WeakPolarHBondContact O-CB 3.21Å; Q794-C797 PolarHBondContact O-N 2.89Å; Q794-I869 HydrophobicContact CB-CD1 4.24Å; Q794-I869 HydrophobicContact CB-CG1 4.05Å; Q794-I869 HydrophobicContact CG-CD1 3.49Å; Q794-I869 VanDerWaalsContact CG-CD1 3.49Å; Q794-I869 HydrophobicContact CG-CG1 3.5Å; Q794-I869 VanDerWaalsContact CG-CG1 3.5Å
795	T	73.1	Confident	67.3	Low	49 Å²	49	52.7 Å²	52.7	30%	0.301	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-33.2	170.4	56.4	0	0	0	0	112.4	S791 E792 L793 C797 L798 R851	S791-T795 WeakPolarHBondContact O-CG2 3.02Å; S791-T795 PolarHBondContact O-N 2.81Å; S791-T795 PolarHBondContact O-OG1 3.06Å; E792-T795 VanDerWaalsContact C-OG1 3.27Å; E792-T795 VanDerWaalsContact CA-OG1 3.25Å; E792-T795 WeakPolarHBondContact CA-OG1 3.49Å; E792-T795 PolarHBondContact O-N 2.74Å; E792-T795 PolarHBondContact O-OG1 3.12Å; L793-T795 VanDerWaalsContact C-N 3.34Å; T795-C797 VanDerWaalsContact C-N 3.27Å; T795-C797 PolarHBondContact O-N 2.75Å; T795-L798 WeakPolarHBondContact O-CB 3.45Å; T795-L798 PolarHBondContact O-N 3.34Å; T795-R851 PolarHBondContact OG1-NH2 2.94Å
796	A	75.9	Confident	67.9	Low	4 Å²	4	58.5 Å²	58.5	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-33.7	175.4	0	0	0	0	0	112.6	E792 L793 Q794 L798 E799 R851 N852	E792-A796 PolarHBondContact O-N 3.17Å; L793-A796 WeakPolarHBondContact O-CB 3.09Å; L793-A796 PolarHBondContact O-N 2.83Å; Q794-A796 VanDerWaalsContact C-N 3.3Å; Q794-A796 PolarHBondContact O-N 2.86Å; A796-L798 PolarHBondContact O-N 2.87Å; A796-E799 PolarHBondContact O-N 3.35Å; A796-R851 HydrophobicContact CB-CB 3.43Å; A796-R851 VanDerWaalsContact CB-CB 3.43Å; A796-N852 VanDerWaalsContact O-CB 3.23Å; A796-N852 WeakPolarHBondContact O-CB 3.16Å
797	C	84.1	Confident	68.6	Low	1 Å²	1	50.2 Å²	50.2	1%	0.007	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.8	174.6	-59.2	0	0	0	0	113.2	L793 Q794 T795 Y820 N852 C864	L793-C797 PolarHBondContact O-N 2.79Å; Q794-C797 WeakPolarHBondContact O-CB 3.21Å; Q794-C797 PolarHBondContact O-N 2.89Å; T795-C797 VanDerWaalsContact C-N 3.27Å; T795-C797 PolarHBondContact O-N 2.75Å; C797-Y820 HydrophobicContact CB-CD1 4.07Å; C797-Y820 HydrophobicContact CB-CG 4.32Å; C797-Y820 WeakPolarHBondContact O-CD1 3.1Å; C797-N852 PolarHBondContact O-ND2 3.27Å; C797-C864 HydrophobicContact CB-CB 3.67Å; C797-C864 WeakPolarHBondContact CB-SG 3.16Å; C797-C864 WeakPolarHBondContact SG-CA 3.22Å; C797-C864 WeakPolarHBondContact SG-CB 2.92Å; C797-C864 CovalentContact SG-SG 2.03Å; C797-C864 PolarHBondContact SG-SG 3.17Å
798	L	80.5	Confident	69.4	Low	25 Å²	25	45.3 Å²	45.3	13%	0.131	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.5	-177.7	-57.7	175.9	0	0	0	113	T795 A796 P877	T795-L798 WeakPolarHBondContact O-CB 3.45Å; T795-L798 PolarHBondContact O-N 3.34Å; A796-L798 PolarHBondContact O-N 2.87Å; L798-P877 HydrophobicContact CB-CG 4.03Å; L798-P877 VanDerWaalsContact CD1-CD 3.41Å; L798-P877 HydrophobicContact CD1-CG 3.63Å; L798-P877 HydrophobicContact CG-CG 4.47Å
799	E	81.5	Confident	69.7	Low	47 Å²	47	52.1 Å²	52.1	22%	0.22	27%	0.274	C	S	.	.	S	Bend	trans	-79	152.6	178.4	-67.6	170.2	-164.3	0	0	111.7	A796 T850 R851 N852	A796-E799 PolarHBondContact O-N 3.35Å; E799-T850 WeakPolarHBondContact OE2-CA 3.32Å; E799-R851 IonicContact OE1-CZ 3.98Å; E799-R851 IonicContact OE1-NE 2.87Å; E799-R851 PolarHBondContact OE1-NE 2.65Å; E799-R851 IonicContact OE1-NH2 3.32Å; E799-R851 PolarHBondContact OE1-NH2 3.09Å; E799-R851 WeakPolarHBondContact OE2-CB 3.18Å; E799-R851 PolarHBondContact OE2-N 3.31Å; E799-R851 IonicContact OE2-NE 2.94Å; E799-N852 HydrophobicContact CB-CB 4.22Å; E799-N852 WeakPolarHBondContact O-CB 3.04Å; E799-N852 PolarHBondContact O-ND2 3.05Å
800	E	81.7	Confident	69.8	Low	100 Å²	100	60.6 Å²	60.6	47%	0.467	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-70.7	131.8	175.6	-72.3	-167.8	139.6	0	0	110.8	R806 T850	E800-R806 VanDerWaalsContact CD-NH1 3.32Å; E800-R806 IonicContact OE1-NH1 3.69Å; E800-R806 PolarHBondContact OE1-NH1 3.4Å; E800-R806 IonicContact OE1-NH2 3.29Å; E800-R806 IonicContact OE2-CZ 2.67Å; E800-R806 IonicContact OE2-NH1 3.64Å; E800-R806 PolarHBondContact OE2-NH1 3.01Å; E800-T850 VanDerWaalsContact O-CB 3.24Å; E800-T850 WeakPolarHBondContact O-CB 3.29Å; E800-T850 PolarHBondContact O-OG1 2.68Å
801	P	82.9	Confident	69.8	Low	21 Å²	21	60.3 Å²	60.3	14%	0.136	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-68.4	152.5	179.3	29.9	-38.1	0	0	0	112.6	T803 Y819	P801-T803 VanDerWaalsContact C-N 3.25Å; P801-T803 HydrophobicContact CG-CG2 4.05Å; P801-T803 PolarHBondContact O-N 2.92Å; P801-Y819 HydrophobicContact CB-CD1 4.14Å; P801-Y819 HydrophobicContact CB-CD2 3.86Å; P801-Y819 HydrophobicContact CB-CG 3.6Å; P801-Y819 HydrophobicContact CG-CD1 4.24Å; P801-Y819 HydrophobicContact CG-CD2 3.49Å; P801-Y819 VanDerWaalsContact CG-CD2 3.49Å; P801-Y819 HydrophobicContact CG-CE1 4.48Å; P801-Y819 HydrophobicContact CG-CE2 3.78Å; P801-Y819 HydrophobicContact CG-CG 3.73Å
802	P	75.8	Confident	69.7	Low	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.31	C	S	.	.			trans	-76.7	71.4	176.4	27	-22.1	0	0	0	110.7	L807 F830 Y832 T850 V853	P802-L807 HydrophobicContact CB-CD1 3.44Å; P802-L807 VanDerWaalsContact CB-CD1 3.44Å; P802-L807 WeakPolarHBondContact O-CD1 3.32Å; P802-F830 HydrophobicContact CG-CE2 4.05Å; P802-F830 HydrophobicContact CG-CZ 4.02Å; P802-F830 VanDerWaalsContact O-CE2 3.29Å; P802-F830 WeakPolarHBondContact O-CE2 3.28Å; P802-Y832 HydrophobicContact CG-CD2 4Å; P802-Y832 HydrophobicContact CG-CE2 4.02Å; P802-T850 HydrophobicContact CB-CG2 3.75Å; P802-T850 VanDerWaalsContact CD-CG2 3.42Å; P802-T850 HydrophobicContact CG-CG2 3.53Å; P802-V853 VanDerWaalsContact CD-CG2 3.41Å; P802-V853 HydrophobicContact CG-CG2 3.26Å
803	T	70.4	Confident	70	Confident	28 Å²	28	64.5 Å²	64.5	17%	0.172	32%	0.322	C	S	.	.			trans	-70	141.6	-179.1	53	0	0	0	0	112.3	P801 Q805 R806	P801-T803 VanDerWaalsContact C-N 3.25Å; P801-T803 HydrophobicContact CG-CG2 4.05Å; P801-T803 PolarHBondContact O-N 2.92Å; T803-Q805 VanDerWaalsContact C-N 3.25Å; T803-Q805 PolarHBondContact O-N 3.38Å; T803-Q805 VanDerWaalsContact O-N 3.13Å; T803-R806 PolarHBondContact O-N 2.8Å; T803-R806 VanDerWaalsContact O-N 3.08Å
804	P	61	Low	70.5	Confident	24 Å²	24	67 Å²	67	16%	0.156	34%	0.337	C	S	.	.	H	α-helix	trans	-51.4	-40.9	-178.2	-28.9	34.1	0	0	0	114.3	R806 L807 C808 E831 V833	P804-R806 PolarHBondContact O-N 2.71Å; P804-R806 VanDerWaalsContact O-N 3.12Å; P804-L807 PolarHBondContact O-N 3.31Å; P804-C808 PolarHBondContact O-N 3.39Å; P804-C808 VanDerWaalsContact O-O 3.11Å; P804-E831 WeakPolarHBondContact CD-O 3.42Å; P804-E831 HydrophobicContact CG-CB 3.95Å; P804-E831 WeakPolarHBondContact CG-O 3.26Å; P804-V833 HydrophobicContact CB-CG2 4.37Å; P804-V833 HydrophobicContact CG-CG2 4.36Å
805	Q	64	Low	71.1	Confident	176 Å²	176	66.6 Å²	66.6	82%	0.822	34%	0.338	S	S	*	.	H	α-helix	trans	-60.5	-24.9	-175.7	-65.3	134	-15.7	0	0	113.1	T803	T803-Q805 VanDerWaalsContact C-N 3.25Å; T803-Q805 PolarHBondContact O-N 3.38Å; T803-Q805 VanDerWaalsContact O-N 3.13Å
806	R	62	Low	71.8	Confident	150 Å²	150	71.4 Å²	71.4	57%	0.566	36%	0.355	S	S	*	.	H	α-helix	trans	-97.7	-10.1	177.7	-69.8	-170.5	176.5	179.9	3.1	113.7	E800 T803 P804 I847	E800-R806 VanDerWaalsContact CD-NH1 3.32Å; E800-R806 IonicContact OE1-NH1 3.69Å; E800-R806 PolarHBondContact OE1-NH1 3.4Å; E800-R806 IonicContact OE1-NH2 3.29Å; E800-R806 IonicContact OE2-CZ 2.67Å; E800-R806 IonicContact OE2-NH1 3.64Å; E800-R806 PolarHBondContact OE2-NH1 3.01Å; T803-R806 PolarHBondContact O-N 2.8Å; T803-R806 VanDerWaalsContact O-N 3.08Å; P804-R806 PolarHBondContact O-N 2.71Å; P804-R806 VanDerWaalsContact O-N 3.12Å; R806-I847 HydrophobicContact CB-CD1 4.12Å
807	L	63.5	Low	72.3	Confident	21 Å²	21	71.8 Å²	71.8	11%	0.11	36%	0.355	C	S	.	.	H	α-helix	trans	-112.2	-34.3	-168.5	-72.2	176.1	0	0	0	113.3	P802 P804 C836 A840 I847	P802-L807 HydrophobicContact CB-CD1 3.44Å; P802-L807 VanDerWaalsContact CB-CD1 3.44Å; P802-L807 WeakPolarHBondContact O-CD1 3.32Å; P804-L807 PolarHBondContact O-N 3.31Å; L807-C836 HydrophobicContact CB-CB 3.53Å; L807-C836 WeakPolarHBondContact O-CB 3.29Å; L807-A840 HydrophobicContact CD2-CB 3.77Å; L807-I847 HydrophobicContact CD2-CG2 3.44Å; L807-I847 VanDerWaalsContact CD2-CG2 3.44Å
808	C	66.5	Low	72.6	Confident	27 Å²	27	74.2 Å²	74.2	18%	0.182	37%	0.365	C	S	.	.			trans	-155.2	151.6	176.7	-82.1	0	0	0	0	112.8	P804 R810 C836	P804-C808 PolarHBondContact O-N 3.39Å; P804-C808 VanDerWaalsContact O-O 3.11Å; C808-R810 VanDerWaalsContact C-N 3.33Å; C808-C836 HydrophobicContact CB-CB 3.84Å; C808-C836 WeakPolarHBondContact CB-SG 3.4Å; C808-C836 WeakPolarHBondContact SG-CB 3.31Å; C808-C836 CovalentContact SG-SG 2Å; C808-C836 PolarHBondContact SG-SG 2.85Å
809	V	62.6	Low	73.1	Confident	148 Å²	148	75 Å²	75	90%	0.897	37%	0.366	S	S	*	.	S	Bend	trans	-73.2	-23.3	176.8	-174.5	0	0	0	0	112.4
810	R	61.2	Low	73.5	Confident	207 Å²	207	73.4 Å²	73.4	78%	0.781	36%	0.358	S	S	*	.	S	Bend	trans	-142.6	119.5	175.2	-66.8	-174.6	-174.3	178.7	2	110.7	C808 L812	C808-R810 VanDerWaalsContact C-N 3.33Å; R810-L812 PolarHBondContact O-N 3.35Å
811	P	60.2	Low	73.8	Confident	64 Å²	64	69.2 Å²	69.2	42%	0.416	34%	0.34	S	S	.	.			trans	-75.1	119.7	176	28.2	-30.4	0	0	0	110.3	T814 V833	P811-T814 HydrophobicContact CB-CG2 3.68Å; P811-V833 HydrophobicContact CB-CG2 3.73Å
812	L	62.6	Low	73.8	Confident	122 Å²	122	71.7 Å²	71.7	64%	0.639	36%	0.358	S	S	*	.			trans	-119	138.9	167.7	-69.6	169	0	0	0	107.9	R810	R810-L812 PolarHBondContact O-N 3.35Å
813	N	68.8	Low	74	Confident	95 Å²	95	76 Å²	76	51%	0.508	39%	0.393	S	S	.	.	S	Bend	trans	55	58.5	-177.3	-67.2	-11.5	0	0	0	114.4	A763	A763-N813 HydrophobicContact CB-CB 4.49Å
814	T	74.7	Confident	74.8	Confident	60 Å²	60	77.3 Å²	77.3	37%	0.368	40%	0.401	S	S	.	.			trans	-71.3	147.9	174	52.3	0	0	0	0	111.5	P811 E831 Y832 V833	P811-T814 HydrophobicContact CB-CG2 3.68Å; T814-E831 HydrophobicContact CG2-CB 4Å; T814-Y832 CarbonylContact C-O 3.49Å; T814-Y832 WeakPolarHBondContact CA-O 3Å; T814-V833 HydrophobicContact CG2-CG2 3.82Å
815	T	81	Confident	75.9	Confident	29 Å²	29	82.3 Å²	82.3	18%	0.178	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.9	165.1	58.8	0	0	0	0	109	A763 R817 Y832	A763-T815 HydrophobicContact CB-CG2 3.73Å; T815-R817 PolarHBondContact O-N 2.74Å; T815-Y832 PolarHBondContact N-O 2.88Å; T815-Y832 WeakPolarHBondContact O-CB 3.41Å; T815-Y832 PolarHBondContact O-N 3.01Å; T815-Y832 WeakPolarHBondContact OG1-CD1 3.49Å
816	K	86.4	Confident	77.1	Confident	151 Å²	151	79.5 Å²	79.5	66%	0.657	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	126	176.3	-72.1	170.7	164.8	-110.4	0	109.4	E829	K816-E829 WeakPolarHBondContact CD-OE1 3.35Å; K816-E829 WeakPolarHBondContact CE-OE1 3.47Å; K816-E829 VanDerWaalsContact CG-OE1 3.22Å; K816-E829 WeakPolarHBondContact CG-OE1 3.17Å; K816-E829 IonicContact NZ-OE1 3.44Å; K816-E829 PolarHBondContact NZ-OE1 2.87Å
817	R	87.8	Confident	78.5	Confident	11 Å²	11	72.8 Å²	72.8	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	165.6	176.6	-63.6	-64.4	-175.1	154.5	-1	109.7	D761 T815 E829 F830 Y832 V853 F854	D761-R817 IonicContact OD2-CZ 3.81Å; D761-R817 IonicContact OD2-NH2 3.98Å; D761-R817 PolarHBondContact OD2-NH2 2.85Å; T815-R817 PolarHBondContact O-N 2.74Å; R817-E829 CarbonylContact O-C 3.54Å; R817-E829 WeakPolarHBondContact O-CA 3.08Å; R817-F830 HydrophobicContact CB-CD1 4.03Å; R817-F830 HydrophobicContact CB-CE1 3.45Å; R817-F830 VanDerWaalsContact CB-CE1 3.45Å; R817-F830 HydrophobicContact CB-CZ 3.84Å; R817-F830 PolarHBondContact N-O 3.09Å; R817-F830 WeakPolarHBondContact O-CD1 3.41Å; R817-F830 PolarHBondContact O-N 3.44Å; R817-Y832 HydrophobicContact CG-CD1 3.91Å; R817-Y832 HydrophobicContact CG-CG 3.79Å; R817-V853 HydrophobicContact CB-CG1 3.91Å; R817-V853 HydrophobicContact CG-CG1 3.83Å; R817-F854 WeakPolarHBondContact CA-O 3.42Å; R817-F854 WeakPolarHBondContact CD-O 3.41Å
818	Y	90.2	Very high	79.8	Confident	53 Å²	53	75.2 Å²	75.2	21%	0.208	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.5	177	-69.1	-98.8	0	0	0	110.1	K828 E829 V853 F854 R857	Y818-K828 CarbonylContact C-O 3.47Å; Y818-K828 VanDerWaalsContact CA-O 3.28Å; Y818-K828 WeakPolarHBondContact CA-O 3.45Å; Y818-E829 HydrophobicContact CD1-CB 4.2Å; Y818-E829 HydrophobicContact CE1-CB 3.86Å; Y818-E829 HydrophobicContact CE1-CG 4.38Å; Y818-V853 CarbonylContact O-C 3.56Å; Y818-F854 PolarHBondContact N-O 2.68Å; Y818-F854 WeakPolarHBondContact O-CD2 3.19Å; Y818-F854 PolarHBondContact O-N 3.36Å; Y818-R857 HydrophobicContact CD1-CB 3.86Å; Y818-R857 HydrophobicContact CD1-CG 4.21Å; Y818-R857 HydrophobicContact CE1-CB 3.61Å; Y818-R857 HydrophobicContact CE1-CG 4.06Å; Y818-R857 HydrophobicContact CE2-CB 4.36Å; Y818-R857 HydrophobicContact CG-CB 4.33Å
819	Y	90.2	Very high	81	Confident	40 Å²	40	78.1 Å²	78.1	16%	0.157	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.7	170.5	74.4	-84.3	0	0	0	109.6	P801 S821 C827 K828 F830 N852	P801-Y819 HydrophobicContact CB-CD1 4.14Å; P801-Y819 HydrophobicContact CB-CD2 3.86Å; P801-Y819 HydrophobicContact CB-CG 3.6Å; P801-Y819 HydrophobicContact CG-CD1 4.24Å; P801-Y819 HydrophobicContact CG-CD2 3.49Å; P801-Y819 VanDerWaalsContact CG-CD2 3.49Å; P801-Y819 HydrophobicContact CG-CE1 4.48Å; P801-Y819 HydrophobicContact CG-CE2 3.78Å; P801-Y819 HydrophobicContact CG-CG 3.73Å; Y819-S821 PolarHBondContact O-N 3.28Å; Y819-C827 CarbonylContact O-C 3.57Å; Y819-C827 VanDerWaalsContact O-CA 3.28Å; Y819-C827 WeakPolarHBondContact O-CA 3.49Å; Y819-K828 HydrophobicContact CD1-CB 4.13Å; Y819-K828 VanDerWaalsContact CD1-O 3.27Å; Y819-K828 WeakPolarHBondContact CD1-O 3.18Å; Y819-K828 HydrophobicContact CE1-CB 3.53Å; Y819-K828 HydrophobicContact CE2-CB 4.41Å; Y819-K828 PolarHBondContact N-O 3.05Å; Y819-K828 PolarHBondContact O-N 3.47Å; Y819-K828 WeakPolarHBondContact OH-CD 3.19Å; Y819-F830 HydrophobicContact CD1-CB 4.02Å; Y819-F830 AromaticContact CD1-CD1 3.6Å; Y819-F830 HydrophobicContact CD1-CD1 3.6Å; Y819-F830 HydrophobicContact CD1-CE1 4.32Å; Y819-F830 AromaticContact CD1-CG 4Å; Y819-F830 HydrophobicContact CD1-CG 4Å; Y819-F830 HydrophobicContact CE1-CB 4.06Å; Y819-F830 HydrophobicContact CE1-CD1 4.47Å; Y819-F830 HydrophobicContact CE1-CG 4.5Å; Y819-F830 HydrophobicContact CG-CD1 4.37Å; Y819-N852 WeakPolarHBondContact CA-OD1 3.37Å; Y819-N852 WeakPolarHBondContact CB-O 3.49Å
820	Y	90.4	Very high	82.2	Confident	14 Å²	14	72 Å²	72	6%	0.055	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	117	172.2	-175	-104.5	0	0	0	109.8	C797 S822 N852 C864 T865	C797-Y820 HydrophobicContact CB-CD1 4.07Å; C797-Y820 HydrophobicContact CB-CG 4.32Å; C797-Y820 WeakPolarHBondContact O-CD1 3.1Å; Y820-S822 PolarHBondContact O-N 2.83Å; Y820-N852 PolarHBondContact N-OD1 2.83Å; Y820-N852 PolarHBondContact O-ND2 2.83Å; Y820-C864 HydrophobicContact CD1-CB 4.06Å; Y820-C864 HydrophobicContact CD2-CB 3.3Å; Y820-C864 HydrophobicContact CE2-CB 3.86Å; Y820-C864 HydrophobicContact CG-CB 3.4Å; Y820-T865 HydrophobicContact CE2-CG2 4.15Å
821	S	88.6	Confident	83.3	Confident	12 Å²	12	67.1 Å²	67.1	8%	0.084	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	105.9	173.1	-176.1	0	0	0	0	108.7	Y819 A823 T824 K825 Q826	Y819-S821 PolarHBondContact O-N 3.28Å; S821-A823 PolarHBondContact O-N 3.12Å; S821-T824 WeakPolarHBondContact CB-OG1 3.32Å; S821-T824 PolarHBondContact O-N 3.21Å; S821-T824 PolarHBondContact OG-OG1 2.82Å; S821-K825 VanDerWaalsContact O-CA 3.31Å; S821-K825 WeakPolarHBondContact O-CA 2.65Å; S821-K825 PolarHBondContact O-N 2.79Å; S821-Q826 WeakPolarHBondContact CB-O 2.93Å; S821-Q826 PolarHBondContact N-O 3.24Å; S821-Q826 PolarHBondContact O-N 3.44Å
822	S	81.4	Confident	84.5	Confident	74 Å²	74	64.3 Å²	64.3	52%	0.517	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.6	173.6	57.7	0	0	0	0	112	Y820 K825	Y820-S822 PolarHBondContact O-N 2.83Å; S822-K825 PolarHBondContact O-N 2.92Å
823	A	81.2	Confident	85.6	Confident	89 Å²	89	58.6 Å²	58.6	74%	0.736	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-43.5	178.5	0	0	0	0	0	113.6	S821	S821-A823 PolarHBondContact O-N 3.12Å
824	T	86.8	Confident	86.1	Confident	56 Å²	56	54.1 Å²	54.1	34%	0.344	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-1.3	179.1	55.6	0	0	0	0	113.6	S821 Q826 K828	S821-T824 WeakPolarHBondContact CB-OG1 3.32Å; S821-T824 PolarHBondContact O-N 3.21Å; S821-T824 PolarHBondContact OG-OG1 2.82Å; T824-Q826 WeakPolarHBondContact O-CG 3.48Å; T824-Q826 PolarHBondContact O-N 2.8Å; T824-K828 WeakPolarHBondContact OG1-CE 3.44Å; T824-K828 PolarHBondContact OG1-NZ 3.03Å
825	K	84.9	Confident	86.3	Confident	130 Å²	130	53.5 Å²	53.5	57%	0.565	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	33.8	-171.8	-58.8	-173.7	177.4	-174.5	0	113.3	S821 S822	S821-K825 VanDerWaalsContact O-CA 3.31Å; S821-K825 WeakPolarHBondContact O-CA 2.65Å; S821-K825 PolarHBondContact O-N 2.79Å; S822-K825 PolarHBondContact O-N 2.92Å
826	Q	88.3	Confident	86.3	Confident	117 Å²	117	52.2 Å²	52.2	55%	0.547	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.2	-174.2	-74.8	175.2	4.1	0	0	110.4	S821 T824 K828	S821-Q826 WeakPolarHBondContact CB-O 2.93Å; S821-Q826 PolarHBondContact N-O 3.24Å; S821-Q826 PolarHBondContact O-N 3.44Å; T824-Q826 WeakPolarHBondContact O-CG 3.48Å; T824-Q826 PolarHBondContact O-N 2.8Å; Q826-K828 PolarHBondContact O-N 2.84Å
827	C	90.9	Very high	86.1	Confident	9 Å²	9	45 Å²	45	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.5	169.8	-71.2	0	0	0	0	110	Y819 C860 E861	Y819-C827 CarbonylContact O-C 3.57Å; Y819-C827 VanDerWaalsContact O-CA 3.28Å; Y819-C827 WeakPolarHBondContact O-CA 3.49Å; C827-C860 HydrophobicContact CB-CB 3.71Å; C827-C860 WeakPolarHBondContact CB-SG 2.93Å; C827-C860 WeakPolarHBondContact SG-CB 3.47Å; C827-C860 PolarHBondContact SG-O 3.33Å; C827-C860 CovalentContact SG-SG 2.03Å; C827-C860 PolarHBondContact SG-SG 2.86Å; C827-E861 HydrophobicContact CB-CG 4.03Å; C827-E861 PolarHBondContact SG-N 2.81Å; C827-E861 VanDerWaalsContact SG-N 3.41Å
828	K	91.2	Very high	85.6	Confident	72 Å²	72	44.5 Å²	44.5	31%	0.313	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.9	-179.7	-74.2	179.1	174.4	161.9	0	110.4	Y818 Y819 T824 Q826	Y818-K828 CarbonylContact C-O 3.47Å; Y818-K828 VanDerWaalsContact CA-O 3.28Å; Y818-K828 WeakPolarHBondContact CA-O 3.45Å; Y819-K828 HydrophobicContact CD1-CB 4.13Å; Y819-K828 VanDerWaalsContact CD1-O 3.27Å; Y819-K828 WeakPolarHBondContact CD1-O 3.18Å; Y819-K828 HydrophobicContact CE1-CB 3.53Å; Y819-K828 HydrophobicContact CE2-CB 4.41Å; Y819-K828 PolarHBondContact N-O 3.05Å; Y819-K828 PolarHBondContact O-N 3.47Å; Y819-K828 WeakPolarHBondContact OH-CD 3.19Å; T824-K828 WeakPolarHBondContact OG1-CE 3.44Å; T824-K828 PolarHBondContact OG1-NZ 3.03Å; Q826-K828 PolarHBondContact O-N 2.84Å
829	E	91.4	Very high	85.1	Confident	88 Å²	88	47.5 Å²	47.5	41%	0.411	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	143.2	171.4	-170.4	180	174.1	0	0	109.9	K816 R817 Y818	K816-E829 WeakPolarHBondContact CD-OE1 3.35Å; K816-E829 WeakPolarHBondContact CE-OE1 3.47Å; K816-E829 VanDerWaalsContact CG-OE1 3.22Å; K816-E829 WeakPolarHBondContact CG-OE1 3.17Å; K816-E829 IonicContact NZ-OE1 3.44Å; K816-E829 PolarHBondContact NZ-OE1 2.87Å; R817-E829 CarbonylContact O-C 3.54Å; R817-E829 WeakPolarHBondContact O-CA 3.08Å; Y818-E829 HydrophobicContact CD1-CB 4.2Å; Y818-E829 HydrophobicContact CE1-CB 3.86Å; Y818-E829 HydrophobicContact CE1-CG 4.38Å
830	F	87.7	Confident	84.5	Confident	18 Å²	18	46.1 Å²	46.1	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.3	170.8	77.9	-70.1	0	0	0	111	P802 R817 Y819 Y832 V853	P802-F830 HydrophobicContact CG-CE2 4.05Å; P802-F830 HydrophobicContact CG-CZ 4.02Å; P802-F830 VanDerWaalsContact O-CE2 3.29Å; P802-F830 WeakPolarHBondContact O-CE2 3.28Å; R817-F830 HydrophobicContact CB-CD1 4.03Å; R817-F830 HydrophobicContact CB-CE1 3.45Å; R817-F830 VanDerWaalsContact CB-CE1 3.45Å; R817-F830 HydrophobicContact CB-CZ 3.84Å; R817-F830 PolarHBondContact N-O 3.09Å; R817-F830 WeakPolarHBondContact O-CD1 3.41Å; R817-F830 PolarHBondContact O-N 3.44Å; Y819-F830 HydrophobicContact CD1-CB 4.02Å; Y819-F830 AromaticContact CD1-CD1 3.6Å; Y819-F830 HydrophobicContact CD1-CD1 3.6Å; Y819-F830 HydrophobicContact CD1-CE1 4.32Å; Y819-F830 AromaticContact CD1-CG 4Å; Y819-F830 HydrophobicContact CD1-CG 4Å; Y819-F830 HydrophobicContact CE1-CB 4.06Å; Y819-F830 HydrophobicContact CE1-CD1 4.47Å; Y819-F830 HydrophobicContact CE1-CG 4.5Å; Y819-F830 HydrophobicContact CG-CD1 4.37Å; F830-Y832 HydrophobicContact CE2-CD2 4.11Å; F830-Y832 HydrophobicContact CE2-CG 4.48Å; F830-Y832 HydrophobicContact CZ-CD2 4.2Å; F830-Y832 PolarHBondContact O-N 2.03Å; F830-V853 HydrophobicContact CE1-CG1 4.43Å; F830-V853 HydrophobicContact CZ-CG1 4.05Å; F830-V853 HydrophobicContact CZ-CG2 4.11Å
831	E	85	Confident	83.9	Confident	105 Å²	105	45.8 Å²	45.8	49%	0.491	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.7	171.1	-65.9	-172.4	163.3	0	0	109.3	P804 T814	P804-E831 WeakPolarHBondContact CD-O 3.42Å; P804-E831 HydrophobicContact CG-CB 3.95Å; P804-E831 WeakPolarHBondContact CG-O 3.26Å; T814-E831 HydrophobicContact CG2-CB 4Å
832	Y	84.4	Confident	83.2	Confident	6 Å²	6	46.8 Å²	46.8	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.3	175.7	173.8	-114.9	0	0	0	109.9	W781 P802 T814 T815 R817 F830 P834 H837 V853	W781-Y832 WeakPolarHBondContact CZ2-OH 3.41Å; P802-Y832 HydrophobicContact CG-CD2 4Å; P802-Y832 HydrophobicContact CG-CE2 4.02Å; T814-Y832 CarbonylContact C-O 3.49Å; T814-Y832 WeakPolarHBondContact CA-O 3Å; T815-Y832 PolarHBondContact N-O 2.88Å; T815-Y832 WeakPolarHBondContact O-CB 3.41Å; T815-Y832 PolarHBondContact O-N 3.01Å; T815-Y832 WeakPolarHBondContact OG1-CD1 3.49Å; R817-Y832 HydrophobicContact CG-CD1 3.91Å; R817-Y832 HydrophobicContact CG-CG 3.79Å; F830-Y832 HydrophobicContact CE2-CD2 4.11Å; F830-Y832 HydrophobicContact CE2-CG 4.48Å; F830-Y832 HydrophobicContact CZ-CD2 4.2Å; F830-Y832 PolarHBondContact O-N 2.03Å; Y832-P834 HydrophobicContact CD1-CG 3.94Å; Y832-P834 HydrophobicContact CE1-CB 3.92Å; Y832-P834 HydrophobicContact CE1-CG 3.68Å; Y832-P834 WeakPolarHBondContact O-CD 3.33Å; Y832-H837 HydrophobicContact CE2-CB 3.78Å; Y832-H837 AromaticContact CE2-CG 3.8Å; Y832-H837 AromaticContact CE2-ND1 3.36Å; Y832-H837 WeakPolarHBondContact CE2-ND1 3.16Å; Y832-H837 AromaticContact CZ-ND1 3.54Å; Y832-H837 PolarHBondContact OH-ND1 3.25Å; Y832-V853 HydrophobicContact CD2-CG1 4.32Å; Y832-V853 HydrophobicContact CG-CG1 4.48Å
833	V	85.8	Confident	82.9	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	25%	0.247	C	C	.	.			trans	-110.2	100	177.4	-167.2	0	0	0	0	109.3	P804 P811 T814 E835 C836 H837	P804-V833 HydrophobicContact CB-CG2 4.37Å; P804-V833 HydrophobicContact CG-CG2 4.36Å; P811-V833 HydrophobicContact CB-CG2 3.73Å; T814-V833 HydrophobicContact CG2-CG2 3.82Å; V833-E835 VanDerWaalsContact C-N 3.33Å; V833-E835 PolarHBondContact O-N 3.11Å; V833-C836 HydrophobicContact CB-CB 4.02Å; V833-C836 HydrophobicContact CG1-CB 4.06Å; V833-C836 WeakPolarHBondContact CG1-SG 3.36Å; V833-C836 PolarHBondContact O-N 2.74Å; V833-C836 VanDerWaalsContact O-N 3.16Å; V833-H837 PolarHBondContact O-N 2.99Å; V833-H837 VanDerWaalsContact O-N 3.1Å
834	P	80.6	Confident	82.3	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.013	25%	0.25	C	C	.	.	H	α-helix	trans	-61	-38.3	-173.4	-18.9	27.8	0	0	0	113.6	A763 A767 W781 Y832 C836 H837 L838	A763-P834 HydrophobicContact CB-CG 4.06Å; A767-P834 HydrophobicContact CB-CB 3.99Å; W781-P834 HydrophobicContact CH2-CB 3.85Å; W781-P834 HydrophobicContact CZ2-CB 4.26Å; Y832-P834 HydrophobicContact CD1-CG 3.94Å; Y832-P834 HydrophobicContact CE1-CB 3.92Å; Y832-P834 HydrophobicContact CE1-CG 3.68Å; Y832-P834 WeakPolarHBondContact O-CD 3.33Å; P834-C836 VanDerWaalsContact C-N 3.28Å; P834-C836 PolarHBondContact O-N 2.84Å; P834-H837 PolarHBondContact O-N 3.1Å; P834-L838 WeakPolarHBondContact O-CB 3.45Å; P834-L838 PolarHBondContact O-N 3.48Å
835	E	78.3	Confident	81.7	Confident	46 Å²	46	51.4 Å²	51.4	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-38.9	177.6	-174.1	179	172.9	0	0	112.2	A767 V833 L838 R839	A767-E835 HydrophobicContact CB-CB 3.92Å; V833-E835 VanDerWaalsContact C-N 3.33Å; V833-E835 PolarHBondContact O-N 3.11Å; E835-L838 PolarHBondContact O-N 2.62Å; E835-R839 WeakPolarHBondContact O-CG 3.34Å; E835-R839 PolarHBondContact O-N 2.78Å; E835-R839 IonicContact OE1-CZ 3.71Å; E835-R839 IonicContact OE1-NE 3.29Å; E835-R839 IonicContact OE1-NH2 3.52Å; E835-R839 PolarHBondContact OE1-NH2 3.39Å
836	C	81.6	Confident	81.1	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-77.3	-33.7	-178.8	-53	0	0	0	0	111.7	L807 C808 V833 P834 L838 R839 A840	L807-C836 HydrophobicContact CB-CB 3.53Å; L807-C836 WeakPolarHBondContact O-CB 3.29Å; C808-C836 HydrophobicContact CB-CB 3.84Å; C808-C836 WeakPolarHBondContact CB-SG 3.4Å; C808-C836 WeakPolarHBondContact SG-CB 3.31Å; C808-C836 CovalentContact SG-SG 2Å; C808-C836 PolarHBondContact SG-SG 2.85Å; V833-C836 HydrophobicContact CB-CB 4.02Å; V833-C836 HydrophobicContact CG1-CB 4.06Å; V833-C836 WeakPolarHBondContact CG1-SG 3.36Å; V833-C836 PolarHBondContact O-N 2.74Å; V833-C836 VanDerWaalsContact O-N 3.16Å; P834-C836 VanDerWaalsContact C-N 3.28Å; P834-C836 PolarHBondContact O-N 2.84Å; C836-L838 VanDerWaalsContact C-N 3.34Å; C836-R839 PolarHBondContact O-N 3.48Å; C836-A840 WeakPolarHBondContact O-CB 3.32Å; C836-A840 PolarHBondContact O-N 3.25Å
837	H	82.1	Confident	80.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-39.8	170.8	-163.3	-162.1	0	0	0	111.5	W781 Y832 V833 P834 A840 L841 I847 S848	W781-H837 AromaticContact NE1-ND1 3.84Å; Y832-H837 HydrophobicContact CE2-CB 3.78Å; Y832-H837 AromaticContact CE2-CG 3.8Å; Y832-H837 AromaticContact CE2-ND1 3.36Å; Y832-H837 WeakPolarHBondContact CE2-ND1 3.16Å; Y832-H837 AromaticContact CZ-ND1 3.54Å; Y832-H837 PolarHBondContact OH-ND1 3.25Å; V833-H837 PolarHBondContact O-N 2.99Å; V833-H837 VanDerWaalsContact O-N 3.1Å; P834-H837 PolarHBondContact O-N 3.1Å; H837-A840 WeakPolarHBondContact O-CB 3.44Å; H837-A840 PolarHBondContact O-N 2.99Å; H837-L841 PolarHBondContact O-N 3.06Å; H837-L841 VanDerWaalsContact O-N 3.09Å; H837-I847 PolarHBondContact NE2-O 3.41Å; H837-S848 PolarHBondContact NE2-O 3.46Å
838	L	77.7	Confident	79.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-40.9	174.1	-175.2	64.6	0	0	0	112.4	W756 C768 H771 A774 W781 P834 E835 C836 A840 L841 V842	W756-L838 HydrophobicContact CH2-CD1 4.11Å; W756-L838 HydrophobicContact CZ3-CD1 4.18Å; C768-L838 HydrophobicContact CB-CD2 4.44Å; H771-L838 HydrophobicContact CB-CD2 3.63Å; A774-L838 HydrophobicContact CB-CD2 4.29Å; W781-L838 HydrophobicContact CD2-CD1 4.35Å; W781-L838 HydrophobicContact CG-CD1 4.4Å; P834-L838 WeakPolarHBondContact O-CB 3.45Å; P834-L838 PolarHBondContact O-N 3.48Å; E835-L838 PolarHBondContact O-N 2.62Å; C836-L838 VanDerWaalsContact C-N 3.34Å; L838-A840 VanDerWaalsContact C-N 3.31Å; L838-A840 PolarHBondContact O-N 2.94Å; L838-L841 HydrophobicContact CD1-CD2 4.36Å; L838-L841 WeakPolarHBondContact O-CB 3.38Å; L838-L841 PolarHBondContact O-N 3.16Å; L838-V842 WeakPolarHBondContact O-CG2 3.33Å; L838-V842 PolarHBondContact O-N 3.13Å
839	R	78.1	Confident	78.7	Confident	116 Å²	116	45.4 Å²	45.4	44%	0.438	24%	0.24	S	C	.	.	H	α-helix	trans	-58	-43.5	172.2	-79.5	173.7	-172.9	-170.6	4.5	111.8	H771 E835 C836 L841 V842 A843	H771-R839 WeakPolarHBondContact NE2-CG 3.41Å; E835-R839 WeakPolarHBondContact O-CG 3.34Å; E835-R839 PolarHBondContact O-N 2.78Å; E835-R839 IonicContact OE1-CZ 3.71Å; E835-R839 IonicContact OE1-NE 3.29Å; E835-R839 IonicContact OE1-NH2 3.52Å; E835-R839 PolarHBondContact OE1-NH2 3.39Å; C836-R839 PolarHBondContact O-N 3.48Å; R839-L841 VanDerWaalsContact C-N 3.26Å; R839-L841 PolarHBondContact O-N 3.46Å; R839-V842 PolarHBondContact O-N 3.3Å; R839-A843 WeakPolarHBondContact O-CB 3.5Å; R839-A843 PolarHBondContact O-N 2.77Å
840	A	78.7	Confident	78.1	Confident	10 Å²	10	41.5 Å²	41.5	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-36.6	175	0	0	0	0	0	111.5	L807 C836 H837 L838 A843 N844 H845 I847	L807-A840 HydrophobicContact CD2-CB 3.77Å; C836-A840 WeakPolarHBondContact O-CB 3.32Å; C836-A840 PolarHBondContact O-N 3.25Å; H837-A840 WeakPolarHBondContact O-CB 3.44Å; H837-A840 PolarHBondContact O-N 2.99Å; L838-A840 VanDerWaalsContact C-N 3.31Å; L838-A840 PolarHBondContact O-N 2.94Å; A840-A843 PolarHBondContact O-N 3.44Å; A840-N844 PolarHBondContact O-N 3.4Å; A840-H845 HydrophobicContact CB-CB 4.1Å; A840-H845 WeakPolarHBondContact O-CB 3.1Å; A840-H845 PolarHBondContact O-N 2.92Å; A840-I847 HydrophobicContact CB-CG2 3.91Å
841	L	76.4	Confident	77.7	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-68.3	-47	177.9	-170.2	68.4	0	0	0	112	V777 W781 H837 L838 R839 A843 N844 S848 L849	V777-L841 HydrophobicContact CG1-CD2 3.5Å; V777-L841 VanDerWaalsContact CG1-CD2 3.5Å; V777-L841 HydrophobicContact CG1-CG 3.85Å; V777-L841 HydrophobicContact CG2-CD2 4.35Å; V777-L841 HydrophobicContact CG2-CG 4.49Å; W781-L841 HydrophobicContact CB-CD2 3.84Å; W781-L841 HydrophobicContact CG-CD2 3.97Å; H837-L841 PolarHBondContact O-N 3.06Å; H837-L841 VanDerWaalsContact O-N 3.09Å; L838-L841 HydrophobicContact CD1-CD2 4.36Å; L838-L841 WeakPolarHBondContact O-CB 3.38Å; L838-L841 PolarHBondContact O-N 3.16Å; R839-L841 VanDerWaalsContact C-N 3.26Å; R839-L841 PolarHBondContact O-N 3.46Å; L841-A843 PolarHBondContact O-N 3.36Å; L841-N844 PolarHBondContact O-N 2.74Å; L841-S848 WeakPolarHBondContact CA-OG 3.49Å; L841-L849 HydrophobicContact CD1-CD2 4.18Å
842	V	74.6	Confident	77.7	Confident	33 Å²	33	37.7 Å²	37.7	20%	0.2	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-32.8	174.9	172	0	0	0	0	111.3	L773 V777 L838 R839 N844	L773-V842 HydrophobicContact CB-CG1 3.63Å; L773-V842 HydrophobicContact CB-CG2 4.43Å; L773-V842 HydrophobicContact CD1-CG1 3.98Å; L773-V842 HydrophobicContact CG-CG1 4.47Å; V777-V842 HydrophobicContact CG2-CG2 3.73Å; L838-V842 WeakPolarHBondContact O-CG2 3.33Å; L838-V842 PolarHBondContact O-N 3.13Å; R839-V842 PolarHBondContact O-N 3.3Å; V842-N844 VanDerWaalsContact C-N 3.3Å; V842-N844 PolarHBondContact O-N 2.71Å
843	A	75.1	Confident	77.7	Confident	73 Å²	73	37.5 Å²	37.5	60%	0.603	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	6.2	177.3	0	0	0	0	0	114.4	R839 A840 L841 H845	R839-A843 WeakPolarHBondContact O-CB 3.5Å; R839-A843 PolarHBondContact O-N 2.77Å; A840-A843 PolarHBondContact O-N 3.44Å; L841-A843 PolarHBondContact O-N 3.36Å; A843-H845 PolarHBondContact O-N 2.78Å; A843-H845 VanDerWaalsContact O-N 3.1Å
844	N	69.4	Low	77.6	Confident	148 Å²	148	37.6 Å²	37.6	79%	0.791	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	28.7	-172.6	-73.3	-23.5	0	0	0	113.9	A840 L841 V842	A840-N844 PolarHBondContact O-N 3.4Å; L841-N844 PolarHBondContact O-N 2.74Å; V842-N844 VanDerWaalsContact C-N 3.3Å; V842-N844 PolarHBondContact O-N 2.71Å
845	H	73.1	Confident	77.6	Confident	94 Å²	94	44.1 Å²	44.1	44%	0.435	23%	0.23	S	C	.	.			trans	-75.6	134.8	-178.5	-171.1	-81.4	0	0	0	110.1	A840 A843 I847 S848	A840-H845 HydrophobicContact CB-CB 4.1Å; A840-H845 WeakPolarHBondContact O-CB 3.1Å; A840-H845 PolarHBondContact O-N 2.92Å; A843-H845 PolarHBondContact O-N 2.78Å; A843-H845 VanDerWaalsContact O-N 3.1Å; H845-I847 WeakPolarHBondContact ND1-CG2 2.92Å; H845-I847 PolarHBondContact ND1-N 3.26Å; H845-I847 PolarHBondContact O-N 3.38Å; H845-S848 VanDerWaalsContact O-CB 3.24Å; H845-S848 WeakPolarHBondContact O-CB 3.3Å; H845-S848 PolarHBondContact O-N 3.18Å; H845-S848 PolarHBondContact O-OG 3.16Å
846	P	71.9	Confident	77.8	Confident	93 Å²	93	44.4 Å²	44.4	60%	0.604	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-55.1	-34.7	-173.2	-27.4	33.2	0	0	0	114.9	S848 L849	P846-S848 PolarHBondContact O-N 2.85Å; P846-L849 PolarHBondContact O-N 3.17Å
847	I	74.4	Confident	78.1	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.062	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.5	-20.1	179.4	-147.8	170.6	0	0	0	112.9	R806 L807 H837 A840 H845 L849 T850	R806-I847 HydrophobicContact CB-CD1 4.12Å; L807-I847 HydrophobicContact CD2-CG2 3.44Å; L807-I847 VanDerWaalsContact CD2-CG2 3.44Å; H837-I847 PolarHBondContact NE2-O 3.41Å; A840-I847 HydrophobicContact CB-CG2 3.91Å; H845-I847 WeakPolarHBondContact ND1-CG2 2.92Å; H845-I847 PolarHBondContact ND1-N 3.26Å; H845-I847 PolarHBondContact O-N 3.38Å; I847-L849 PolarHBondContact O-N 3.07Å; I847-T850 WeakPolarHBondContact O-CB 3.44Å; I847-T850 WeakPolarHBondContact O-CG2 3.29Å; I847-T850 PolarHBondContact O-N 3Å
848	S	73.5	Confident	78.2	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.014	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-70.9	-18	179.6	68.2	0	0	0	0	114.3	H837 L841 H845 P846 T850	H837-S848 PolarHBondContact NE2-O 3.46Å; L841-S848 WeakPolarHBondContact CA-OG 3.49Å; H845-S848 VanDerWaalsContact O-CB 3.24Å; H845-S848 WeakPolarHBondContact O-CB 3.3Å; H845-S848 PolarHBondContact O-N 3.18Å; H845-S848 PolarHBondContact O-OG 3.16Å; P846-S848 PolarHBondContact O-N 2.85Å; S848-T850 VanDerWaalsContact C-N 3.33Å
849	L	72.6	Confident	78.4	Confident	96 Å²	96	55.6 Å²	55.6	50%	0.503	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-91.8	-0.4	177.6	-60.2	176.6	0	0	0	111.9	P783 L841 P846 I847 R851	P783-L849 HydrophobicContact CB-CD2 4.36Å; P783-L849 HydrophobicContact CG-CD2 4.07Å; L841-L849 HydrophobicContact CD1-CD2 4.18Å; P846-L849 PolarHBondContact O-N 3.17Å; I847-L849 PolarHBondContact O-N 3.07Å; L849-R851 PolarHBondContact O-N 2.84Å
850	T	79.6	Confident	78.8	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.031	26%	0.263	C	S	.	.			trans	-66.8	133	-177.3	-170.5	0	0	0	0	111.9	E799 E800 P802 I847 S848 N852 V853	E799-T850 WeakPolarHBondContact OE2-CA 3.32Å; E800-T850 VanDerWaalsContact O-CB 3.24Å; E800-T850 WeakPolarHBondContact O-CB 3.29Å; E800-T850 PolarHBondContact O-OG1 2.68Å; P802-T850 HydrophobicContact CB-CG2 3.75Å; P802-T850 VanDerWaalsContact CD-CG2 3.42Å; P802-T850 HydrophobicContact CG-CG2 3.53Å; I847-T850 WeakPolarHBondContact O-CB 3.44Å; I847-T850 WeakPolarHBondContact O-CG2 3.29Å; I847-T850 PolarHBondContact O-N 3Å; S848-T850 VanDerWaalsContact C-N 3.33Å; T850-N852 PolarHBondContact OG1-N 3.44Å; T850-V853 HydrophobicContact CG2-CG2 4.49Å
851	R	78.2	Confident	79.2	Confident	43 Å²	43	52.2 Å²	52.2	16%	0.162	27%	0.271	C	S	.	.			trans	-105.2	-3.3	179.5	-61	172.8	-66.8	-178.6	7.2	111.5	W736 N785 E792 T795 A796 E799 L849 V853	W736-R851 HydrophobicContact CZ2-CB 4.18Å; N785-R851 PolarHBondContact ND2-NH1 3.43Å; N785-R851 VanDerWaalsContact OD1-CD 3.25Å; N785-R851 WeakPolarHBondContact OD1-CD 3.38Å; N785-R851 PolarHBondContact OD1-NH1 2.91Å; E792-R851 IonicContact OE2-NH1 2.71Å; T795-R851 PolarHBondContact OG1-NH2 2.94Å; A796-R851 HydrophobicContact CB-CB 3.43Å; A796-R851 VanDerWaalsContact CB-CB 3.43Å; E799-R851 IonicContact OE1-CZ 3.98Å; E799-R851 IonicContact OE1-NE 2.87Å; E799-R851 PolarHBondContact OE1-NE 2.65Å; E799-R851 IonicContact OE1-NH2 3.32Å; E799-R851 PolarHBondContact OE1-NH2 3.09Å; E799-R851 WeakPolarHBondContact OE2-CB 3.18Å; E799-R851 PolarHBondContact OE2-N 3.31Å; E799-R851 IonicContact OE2-NE 2.94Å; L849-R851 PolarHBondContact O-N 2.84Å; R851-V853 PolarHBondContact O-N 3.27Å
852	N	86.1	Confident	79.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.288	C	S	.	.			trans	-76.1	56.4	176.8	-159.8	-3.1	0	0	0	111.9	A796 C797 E799 Y819 Y820 T850 F854	A796-N852 VanDerWaalsContact O-CB 3.23Å; A796-N852 WeakPolarHBondContact O-CB 3.16Å; C797-N852 PolarHBondContact O-ND2 3.27Å; E799-N852 HydrophobicContact CB-CB 4.22Å; E799-N852 WeakPolarHBondContact O-CB 3.04Å; E799-N852 PolarHBondContact O-ND2 3.05Å; Y819-N852 WeakPolarHBondContact CA-OD1 3.37Å; Y819-N852 WeakPolarHBondContact CB-O 3.49Å; Y820-N852 PolarHBondContact N-OD1 2.83Å; Y820-N852 PolarHBondContact O-ND2 2.83Å; T850-N852 PolarHBondContact OG1-N 3.44Å; N852-F854 VanDerWaalsContact OD1-CE2 3.31Å; N852-F854 WeakPolarHBondContact OD1-CE2 3.3Å
853	V	84.8	Confident	79.4	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	28%	0.281	C	S	.	.			trans	-136.6	116.5	178.5	-173.1	0	0	0	0	106.9	P735 W736 P802 R817 Y818 F830 Y832 T850 R851	P735-V853 WeakPolarHBondContact CD-O 3.33Å; P735-V853 WeakPolarHBondContact CG-O 3.16Å; W736-V853 HydrophobicContact CH2-CB 3.98Å; W736-V853 HydrophobicContact CH2-CG2 4.33Å; P802-V853 VanDerWaalsContact CD-CG2 3.41Å; P802-V853 HydrophobicContact CG-CG2 3.26Å; R817-V853 HydrophobicContact CB-CG1 3.91Å; R817-V853 HydrophobicContact CG-CG1 3.83Å; Y818-V853 CarbonylContact O-C 3.56Å; F830-V853 HydrophobicContact CE1-CG1 4.43Å; F830-V853 HydrophobicContact CZ-CG1 4.05Å; F830-V853 HydrophobicContact CZ-CG2 4.11Å; Y832-V853 HydrophobicContact CD2-CG1 4.32Å; Y832-V853 HydrophobicContact CG-CG1 4.48Å; T850-V853 HydrophobicContact CG2-CG2 4.49Å; R851-V853 PolarHBondContact O-N 3.27Å
854	F	83.6	Confident	79.8	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-119.4	145.7	-178.5	-59.4	-81.2	0	0	0	110.3	L734 R817 Y818 N852 C860 L863 C864	L734-F854 HydrophobicContact CD2-CD1 4.41Å; L734-F854 HydrophobicContact CD2-CE1 4.14Å; R817-F854 WeakPolarHBondContact CA-O 3.42Å; R817-F854 WeakPolarHBondContact CD-O 3.41Å; Y818-F854 PolarHBondContact N-O 2.68Å; Y818-F854 WeakPolarHBondContact O-CD2 3.19Å; Y818-F854 PolarHBondContact O-N 3.36Å; N852-F854 VanDerWaalsContact OD1-CE2 3.31Å; N852-F854 WeakPolarHBondContact OD1-CE2 3.3Å; F854-C860 HydrophobicContact CB-CB 3.77Å; F854-C860 HydrophobicContact CD1-CB 4.38Å; F854-C860 HydrophobicContact CD2-CB 3.62Å; F854-C860 VanDerWaalsContact CD2-SG 3.59Å; F854-C860 HydrophobicContact CE2-CB 4.32Å; F854-C860 HydrophobicContact CG-CB 3.66Å; F854-L863 HydrophobicContact CD1-CD1 4.14Å; F854-L863 HydrophobicContact CE1-CB 4.33Å; F854-L863 HydrophobicContact CE1-CD1 3.68Å; F854-C864 WeakPolarHBondContact CZ-SG 3.37Å
855	K	78.9	Confident	80.1	Confident	140 Å²	140	47 Å²	47	61%	0.609	23%	0.231	S	C	*	.	S	Bend	trans	-65.6	-42.4	-179.3	-179.4	-176.3	175.7	-177.1	0	112
856	D	83	Confident	79.8	Confident	52 Å²	52	46 Å²	46	28%	0.278	23%	0.229	S	C	.	.	S	Bend	trans	-144.5	161.6	-174.5	65.8	89	0	0	0	110.7	N858 S859 C860	D856-N858 VanDerWaalsContact C-N 3.32Å; D856-N858 PolarHBondContact O-N 2.94Å; D856-N858 WeakPolarHBondContact OD1-CA 3.48Å; D856-N858 VanDerWaalsContact OD1-CB 3.31Å; D856-N858 WeakPolarHBondContact OD1-CB 3.48Å; D856-N858 PolarHBondContact OD1-N 2.87Å; D856-S859 VanDerWaalsContact CG-OG 3.31Å; D856-S859 PolarHBondContact O-N 3.36Å; D856-S859 PolarHBondContact OD1-N 2.71Å; D856-S859 PolarHBondContact OD1-OG 2.87Å; D856-S859 WeakPolarHBondContact OD2-CB 3.41Å; D856-S859 PolarHBondContact OD2-OG 2.87Å; D856-C860 PolarHBondContact O-N 2.76Å
857	R	88.4	Confident	79	Confident	130 Å²	130	49.8 Å²	49.8	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-59.2	-41	-178.4	-172.6	172.9	175	176.1	-2.3	112.5	Y818 S859 C860 E861	Y818-R857 HydrophobicContact CD1-CB 3.86Å; Y818-R857 HydrophobicContact CD1-CG 4.21Å; Y818-R857 HydrophobicContact CE1-CB 3.61Å; Y818-R857 HydrophobicContact CE1-CG 4.06Å; Y818-R857 HydrophobicContact CE2-CB 4.36Å; Y818-R857 HydrophobicContact CG-CB 4.33Å; R857-S859 PolarHBondContact O-N 3.22Å; R857-C860 PolarHBondContact O-N 2.8Å; R857-E861 HydrophobicContact CG-CG 4.18Å; R857-E861 IonicContact CZ-OE1 3.27Å; R857-E861 VanDerWaalsContact CZ-OE1 3.32Å; R857-E861 IonicContact NE-OE1 2.8Å; R857-E861 PolarHBondContact NE-OE1 2.9Å; R857-E861 IonicContact NH2-OE1 3.47Å; R857-E861 PolarHBondContact NH2-OE1 2.82Å; R857-E861 WeakPolarHBondContact O-CB 3.03Å; R857-E861 WeakPolarHBondContact O-CG 2.88Å; R857-E861 PolarHBondContact O-N 3Å
858	N	84.9	Confident	78	Confident	100 Å²	100	55.4 Å²	55.4	54%	0.535	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-41.1	-177.4	-69	-13.2	0	0	0	111.1	D856 C860 E861 Q862	D856-N858 VanDerWaalsContact C-N 3.32Å; D856-N858 PolarHBondContact O-N 2.94Å; D856-N858 WeakPolarHBondContact OD1-CA 3.48Å; D856-N858 VanDerWaalsContact OD1-CB 3.31Å; D856-N858 WeakPolarHBondContact OD1-CB 3.48Å; D856-N858 PolarHBondContact OD1-N 2.87Å; N858-C860 VanDerWaalsContact C-N 3.34Å; N858-E861 PolarHBondContact O-N 2.81Å; N858-Q862 WeakPolarHBondContact O-CB 3.34Å; N858-Q862 WeakPolarHBondContact O-CG 3.49Å; N858-Q862 PolarHBondContact O-N 2.04Å
859	S	81	Confident	76.9	Confident	8 Å²	8	55.8 Å²	55.8	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-42.2	175.7	-64.1	0	0	0	0	111.5	D856 R857 L863	D856-S859 VanDerWaalsContact CG-OG 3.31Å; D856-S859 PolarHBondContact O-N 3.36Å; D856-S859 PolarHBondContact OD1-N 2.71Å; D856-S859 PolarHBondContact OD1-OG 2.87Å; D856-S859 WeakPolarHBondContact OD2-CB 3.41Å; D856-S859 PolarHBondContact OD2-OG 2.87Å; R857-S859 PolarHBondContact O-N 3.22Å; S859-L863 WeakPolarHBondContact O-CB 3.36Å; S859-L863 WeakPolarHBondContact O-CG 2.99Å; S859-L863 PolarHBondContact O-N 3.4Å
860	C	86.6	Confident	75.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.6	-46.7	174	-179.9	0	0	0	0	112	C827 F854 D856 R857 N858 L863 C864	C827-C860 HydrophobicContact CB-CB 3.71Å; C827-C860 WeakPolarHBondContact CB-SG 2.93Å; C827-C860 WeakPolarHBondContact SG-CB 3.47Å; C827-C860 PolarHBondContact SG-O 3.33Å; C827-C860 CovalentContact SG-SG 2.03Å; C827-C860 PolarHBondContact SG-SG 2.86Å; F854-C860 HydrophobicContact CB-CB 3.77Å; F854-C860 HydrophobicContact CD1-CB 4.38Å; F854-C860 HydrophobicContact CD2-CB 3.62Å; F854-C860 VanDerWaalsContact CD2-SG 3.59Å; F854-C860 HydrophobicContact CE2-CB 4.32Å; F854-C860 HydrophobicContact CG-CB 3.66Å; D856-C860 PolarHBondContact O-N 2.76Å; R857-C860 PolarHBondContact O-N 2.8Å; N858-C860 VanDerWaalsContact C-N 3.34Å; C860-L863 PolarHBondContact O-N 2.8Å; C860-C864 VanDerWaalsContact O-CB 3.26Å; C860-C864 WeakPolarHBondContact O-CB 3.4Å; C860-C864 PolarHBondContact O-N 2.81Å; C860-C864 PolarHBondContact O-SG 2.81Å
861	E	86.6	Confident	74.1	Confident	54 Å²	54	58 Å²	58	25%	0.252	28%	0.283	S	S	.	.	H	α-helix	trans	-66.9	-46.5	-177.9	-73.3	179.1	167.9	0	0	111	C827 R857 N858 L863 C864 T865	C827-E861 HydrophobicContact CB-CG 4.03Å; C827-E861 PolarHBondContact SG-N 2.81Å; C827-E861 VanDerWaalsContact SG-N 3.41Å; R857-E861 HydrophobicContact CG-CG 4.18Å; R857-E861 IonicContact CZ-OE1 3.27Å; R857-E861 VanDerWaalsContact CZ-OE1 3.32Å; R857-E861 IonicContact NE-OE1 2.8Å; R857-E861 PolarHBondContact NE-OE1 2.9Å; R857-E861 IonicContact NH2-OE1 3.47Å; R857-E861 PolarHBondContact NH2-OE1 2.82Å; R857-E861 WeakPolarHBondContact O-CB 3.03Å; R857-E861 WeakPolarHBondContact O-CG 2.88Å; R857-E861 PolarHBondContact O-N 3Å; N858-E861 PolarHBondContact O-N 2.81Å; E861-L863 VanDerWaalsContact C-N 3.26Å; E861-L863 PolarHBondContact O-N 2.83Å; E861-C864 PolarHBondContact O-N 3.42Å; E861-T865 HydrophobicContact CB-CG2 4.14Å; E861-T865 HydrophobicContact CG-CG2 4.17Å; E861-T865 VanDerWaalsContact O-CB 3.29Å; E861-T865 WeakPolarHBondContact O-CB 3.4Å; E861-T865 PolarHBondContact O-N 3.18Å; E861-T865 PolarHBondContact O-OG1 3.38Å
862	Q	78.3	Confident	72.6	Confident	85 Å²	85	61.8 Å²	61.8	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-57.8	-38.8	177.2	-75	175.7	12.9	0	0	112.4	M725 N858	M725-Q862 HydrophobicContact CE-CB 4.41Å; N858-Q862 WeakPolarHBondContact O-CB 3.34Å; N858-Q862 WeakPolarHBondContact O-CG 3.49Å; N858-Q862 PolarHBondContact O-N 2.04Å
863	L	77.9	Confident	70.5	Confident	11 Å²	11	63.7 Å²	63.7	6%	0.058	32%	0.323	C	S	.	.	H	α-helix	trans	-81.5	-40.2	-178.9	-80.6	167.8	0	0	0	113.5	T730 L734 L793 F854 S859 C860 E861 I869	T730-L863 HydrophobicContact CG2-CD2 3.28Å; T730-L863 HydrophobicContact CG2-CG 3.86Å; L734-L863 HydrophobicContact CD2-CD1 3.51Å; L734-L863 HydrophobicContact CG-CD1 4.48Å; L793-L863 HydrophobicContact CB-CD2 4.23Å; L793-L863 HydrophobicContact CD1-CD2 3.74Å; F854-L863 HydrophobicContact CD1-CD1 4.14Å; F854-L863 HydrophobicContact CE1-CB 4.33Å; F854-L863 HydrophobicContact CE1-CD1 3.68Å; S859-L863 WeakPolarHBondContact O-CB 3.36Å; S859-L863 WeakPolarHBondContact O-CG 2.99Å; S859-L863 PolarHBondContact O-N 3.4Å; C860-L863 PolarHBondContact O-N 2.8Å; E861-L863 VanDerWaalsContact C-N 3.26Å; E861-L863 PolarHBondContact O-N 2.83Å; L863-I869 WeakPolarHBondContact O-CD1 3.31Å
864	C	83.6	Confident	68.3	Low	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-107.7	-14.2	-167.1	-54.6	0	0	0	0	114.7	C797 Y820 F854 C860 E861	C797-C864 HydrophobicContact CB-CB 3.67Å; C797-C864 WeakPolarHBondContact CB-SG 3.16Å; C797-C864 WeakPolarHBondContact SG-CA 3.22Å; C797-C864 WeakPolarHBondContact SG-CB 2.92Å; C797-C864 CovalentContact SG-SG 2.03Å; C797-C864 PolarHBondContact SG-SG 3.17Å; Y820-C864 HydrophobicContact CD1-CB 4.06Å; Y820-C864 HydrophobicContact CD2-CB 3.3Å; Y820-C864 HydrophobicContact CE2-CB 3.86Å; Y820-C864 HydrophobicContact CG-CB 3.4Å; F854-C864 WeakPolarHBondContact CZ-SG 3.37Å; C860-C864 VanDerWaalsContact O-CB 3.26Å; C860-C864 WeakPolarHBondContact O-CB 3.4Å; C860-C864 PolarHBondContact O-N 2.81Å; C860-C864 PolarHBondContact O-SG 2.81Å; E861-C864 PolarHBondContact O-N 3.42Å
865	T	75.7	Confident	65.8	Low	56 Å²	56	77.9 Å²	77.9	34%	0.344	39%	0.39	S	S	.	.			trans	-97.8	1.4	-177.7	69.7	0	0	0	0	114.4	Y820 E861 K867	Y820-T865 HydrophobicContact CE2-CG2 4.15Å; E861-T865 HydrophobicContact CB-CG2 4.14Å; E861-T865 HydrophobicContact CG-CG2 4.17Å; E861-T865 VanDerWaalsContact O-CB 3.29Å; E861-T865 WeakPolarHBondContact O-CB 3.4Å; E861-T865 PolarHBondContact O-N 3.18Å; E861-T865 PolarHBondContact O-OG1 3.38Å; T865-K867 PolarHBondContact O-N 2.89Å
866	N	65.6	Low	63.8	Low	74 Å²	74	73.8 Å²	73.8	40%	0.396	38%	0.375	S	S	.	.			trans	-66.6	131.6	177.5	-165.7	-11.8	0	0	0	111.2	Q868 I869	N866-Q868 PolarHBondContact O-N 3.42Å; N866-I869 HydrophobicContact CB-CD1 4.26Å; N866-I869 WeakPolarHBondContact O-CB 3.17Å; N866-I869 PolarHBondContact O-N 2.83Å
867	K	55.2	Low	61.8	Low	172 Å²	172	73.5 Å²	73.5	75%	0.748	38%	0.376	S	S	*	.	H	α-helix	trans	-58	-23.2	-173.7	-73.1	-175	177	-179.1	0	114.2	T865 I869 Q870 A871	T865-K867 PolarHBondContact O-N 2.89Å; K867-I869 VanDerWaalsContact C-N 3.32Å; K867-I869 PolarHBondContact O-N 3.03Å; K867-Q870 PolarHBondContact O-N 2.78Å; K867-A871 PolarHBondContact O-N 3.02Å
868	Q	53.3	Low	59.4	Low	131 Å²	131	70.6 Å²	70.6	61%	0.612	37%	0.37	S	S	*	.	H	α-helix	trans	-66.7	-30.7	174.7	-77.2	178.5	-33.5	0	0	113	N866 Q870	N866-Q868 PolarHBondContact O-N 3.42Å; Q868-Q870 VanDerWaalsContact C-N 3.34Å
869	I	51.6	Low	57.2	Low	10 Å²	10	68.8 Å²	68.8	5%	0.051	36%	0.362	C	S	.	.	H	α-helix	trans	-74.8	-32.4	175.3	-55.8	162.2	0	0	0	110.3	Q794 L863 N866 K867 A871 A873	Q794-I869 HydrophobicContact CB-CD1 4.24Å; Q794-I869 HydrophobicContact CB-CG1 4.05Å; Q794-I869 HydrophobicContact CG-CD1 3.49Å; Q794-I869 VanDerWaalsContact CG-CD1 3.49Å; Q794-I869 HydrophobicContact CG-CG1 3.5Å; Q794-I869 VanDerWaalsContact CG-CG1 3.5Å; L863-I869 WeakPolarHBondContact O-CD1 3.31Å; N866-I869 HydrophobicContact CB-CD1 4.26Å; N866-I869 WeakPolarHBondContact O-CB 3.17Å; N866-I869 PolarHBondContact O-N 2.83Å; K867-I869 VanDerWaalsContact C-N 3.32Å; K867-I869 PolarHBondContact O-N 3.03Å; I869-A871 VanDerWaalsContact C-N 3.26Å; I869-A871 PolarHBondContact O-N 3.17Å; I869-A873 WeakPolarHBondContact O-CB 3.42Å; I869-A873 PolarHBondContact O-N 3.25Å
870	Q	48.4	Very low	55.4	Low	77 Å²	77	73 Å²	73	36%	0.36	38%	0.38	S	S	.	.	H	α-helix	trans	-74	-16.8	-177.9	-60.8	-172	-4.4	0	0	113.2	K867 Q868	K867-Q870 PolarHBondContact O-N 2.78Å; Q868-Q870 VanDerWaalsContact C-N 3.34Å
871	A	45.6	Very low	53.4	Low	69 Å²	69	82 Å²	82	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-86.7	-36.9	175	0	0	0	0	0	112.4	K867 I869	K867-A871 PolarHBondContact O-N 3.02Å; I869-A871 VanDerWaalsContact C-N 3.26Å; I869-A871 PolarHBondContact O-N 3.17Å
872	D	45.4	Very low	51.3	Low	123 Å²	123	84.4 Å²	84.4	66%	0.658	43%	0.425	S	S	*	.	H	α-helix	trans	-86.7	-13.5	177.4	-64.3	-22.1	0	0	0	113	V874 W875	D872-V874 PolarHBondContact O-N 3.45Å; D872-W875 PolarHBondContact O-N 3.33Å
873	A	41.6	Very low	49.8	Very low	42 Å²	42	82 Å²	82	35%	0.347	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-0.3	177.4	0	0	0	0	0	115.4	I869	I869-A873 WeakPolarHBondContact O-CB 3.42Å; I869-A873 PolarHBondContact O-N 3.25Å
874	V	39.5	Very low	48.7	Very low	131 Å²	131	86.3 Å²	86.3	79%	0.794	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.3	166.1	-176.7	0	0	0	0	110.7	D872	D872-V874 PolarHBondContact O-N 3.45Å
875	W	31.3	Very low	47.4	Very low	170 Å²	170	92.9 Å²	92.9	64%	0.644	46%	0.464	S	S	*	.	S	Bend	trans	-102.9	82.3	174.4	-123.8	78.7	0	0	0	110.6	D872 K880	D872-W875 PolarHBondContact O-N 3.33Å; W875-K880 HydrophobicContact CE3-CB 4.37Å; W875-K880 HydrophobicContact CE3-CG 4.44Å; W875-K880 HydrophobicContact CH2-CD 4.31Å; W875-K880 HydrophobicContact CH2-CG 3.95Å; W875-K880 HydrophobicContact CZ3-CB 3.83Å; W875-K880 HydrophobicContact CZ3-CD 3.58Å; W875-K880 HydrophobicContact CZ3-CG 3.47Å; W875-K880 VanDerWaalsContact CZ3-CG 3.47Å
876	N	37.2	Very low	46.6	Very low	54 Å²	54	92.1 Å²	92.1	29%	0.289	46%	0.458	S	S	.	.			trans	-65.5	127.9	-176.7	-144.5	-0.5	0	0	0	110	I878 V879 K880	N876-I878 PolarHBondContact O-N 2.9Å; N876-V879 HydrophobicContact CB-CB 3.66Å; N876-V879 HydrophobicContact CB-CG2 3.46Å; N876-V879 VanDerWaalsContact CB-CG2 3.46Å; N876-V879 CarbonylContact O-C 3.59Å; N876-V879 VanDerWaalsContact O-CA 3.32Å; N876-V879 WeakPolarHBondContact O-CA 3.4Å; N876-V879 WeakPolarHBondContact O-CB 3.1Å; N876-V879 PolarHBondContact O-N 2.95Å; N876-K880 PolarHBondContact O-N 3.1Å
877	P	40.3	Very low	46.5	Very low	47 Å²	47	92.8 Å²	92.8	31%	0.305	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-26.2	172.8	-19.6	29.7	0	0	0	112.2	L798 K880 R881	L798-P877 HydrophobicContact CB-CG 4.03Å; L798-P877 VanDerWaalsContact CD1-CD 3.41Å; L798-P877 HydrophobicContact CD1-CG 3.63Å; L798-P877 HydrophobicContact CG-CG 4.47Å; P877-K880 PolarHBondContact O-N 3.4Å; P877-R881 WeakPolarHBondContact O-CB 3.46Å; P877-R881 PolarHBondContact O-N 3.39Å
878	I	38.2	Very low	47.4	Very low	69 Å²	69	90 Å²	90	35%	0.354	45%	0.448	S	S	.	.	H	α-helix	trans	-67.2	-41.3	169.2	-61.2	171.9	0	0	0	109.9	N876 K880 R881 E882	N876-I878 PolarHBondContact O-N 2.9Å; I878-K880 VanDerWaalsContact C-N 3.33Å; I878-R881 PolarHBondContact O-N 3.47Å; I878-E882 HydrophobicContact CG2-CG 4.3Å; I878-E882 WeakPolarHBondContact O-CB 3.36Å; I878-E882 VanDerWaalsContact O-CG 3.25Å; I878-E882 WeakPolarHBondContact O-CG 3.43Å; I878-E882 PolarHBondContact O-N 3.37Å
879	V	38.9	Very low	49	Very low	61 Å²	61	87.1 Å²	87.1	37%	0.37	43%	0.432	S	S	.	.	H	α-helix	trans	-66.6	-37.2	172.7	173.7	0	0	0	0	109.9	N876 E882 T883	N876-V879 HydrophobicContact CB-CB 3.66Å; N876-V879 HydrophobicContact CB-CG2 3.46Å; N876-V879 VanDerWaalsContact CB-CG2 3.46Å; N876-V879 CarbonylContact O-C 3.59Å; N876-V879 VanDerWaalsContact O-CA 3.32Å; N876-V879 WeakPolarHBondContact O-CA 3.4Å; N876-V879 WeakPolarHBondContact O-CB 3.1Å; N876-V879 PolarHBondContact O-N 2.95Å; V879-E882 CarbonylContact O-C 3.47Å; V879-E882 PolarHBondContact O-N 2.95Å; V879-T883 HydrophobicContact CG1-CG2 4.01Å; V879-T883 WeakPolarHBondContact O-CA 3.07Å; V879-T883 VanDerWaalsContact O-CB 3.23Å; V879-T883 WeakPolarHBondContact O-CB 3.36Å; V879-T883 VanDerWaalsContact O-CG2 3.23Å; V879-T883 WeakPolarHBondContact O-CG2 3.45Å; V879-T883 PolarHBondContact O-N 3.27Å; V879-T883 PolarHBondContact O-OG1 3.1Å
880	K	42.5	Very low	50.8	Low	98 Å²	98	87 Å²	87	43%	0.426	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-46.2	175	-160.9	-171.1	-163.9	-179.6	0	112	W875 N876 P877 I878 T883 E884	W875-K880 HydrophobicContact CE3-CB 4.37Å; W875-K880 HydrophobicContact CE3-CG 4.44Å; W875-K880 HydrophobicContact CH2-CD 4.31Å; W875-K880 HydrophobicContact CH2-CG 3.95Å; W875-K880 HydrophobicContact CZ3-CB 3.83Å; W875-K880 HydrophobicContact CZ3-CD 3.58Å; W875-K880 HydrophobicContact CZ3-CG 3.47Å; W875-K880 VanDerWaalsContact CZ3-CG 3.47Å; N876-K880 PolarHBondContact O-N 3.1Å; P877-K880 PolarHBondContact O-N 3.4Å; I878-K880 VanDerWaalsContact C-N 3.33Å; K880-T883 WeakPolarHBondContact CA-OG1 3.14Å; K880-T883 CarbonylContact O-C 3.58Å; K880-T883 PolarHBondContact O-N 3.49Å; K880-T883 PolarHBondContact O-OG1 2.05Å; K880-E884 WeakPolarHBondContact CD-OE1 3.32Å; K880-E884 WeakPolarHBondContact CE-OE1 3.47Å; K880-E884 HydrophobicContact CG-CG 4.48Å; K880-E884 IonicContact NZ-OE1 2.84Å; K880-E884 VanDerWaalsContact O-CB 3.29Å; K880-E884 WeakPolarHBondContact O-CB 3.25Å; K880-E884 WeakPolarHBondContact O-CG 3.22Å; K880-E884 PolarHBondContact O-N 3.3Å
881	R	44.3	Very low	52.5	Low	187 Å²	187	87.6 Å²	87.6	71%	0.706	43%	0.434	S	S	*	.	H	α-helix	trans	-72.4	-33.4	179.5	-151.7	-177.7	-82	-174.9	-5.1	111.8	P877 I878 K885	P877-R881 WeakPolarHBondContact O-CB 3.46Å; P877-R881 PolarHBondContact O-N 3.39Å; I878-R881 PolarHBondContact O-N 3.47Å; R881-K885 WeakPolarHBondContact O-CB 3.06Å; R881-K885 PolarHBondContact O-N 3.18Å
882	E	44.1	Very low	54.4	Low	106 Å²	106	86.1 Å²	86.1	50%	0.495	42%	0.416	S	S	.	.	H	α-helix	trans	-71.6	-35.8	169.5	-77.3	-179.9	163.4	0	0	112	I878 V879 L886	I878-E882 HydrophobicContact CG2-CG 4.3Å; I878-E882 WeakPolarHBondContact O-CB 3.36Å; I878-E882 VanDerWaalsContact O-CG 3.25Å; I878-E882 WeakPolarHBondContact O-CG 3.43Å; I878-E882 PolarHBondContact O-N 3.37Å; V879-E882 CarbonylContact O-C 3.47Å; V879-E882 PolarHBondContact O-N 2.95Å; E882-L886 VanDerWaalsContact O-CB 3.25Å; E882-L886 WeakPolarHBondContact O-CB 3.32Å; E882-L886 VanDerWaalsContact O-CD1 3.3Å; E882-L886 WeakPolarHBondContact O-CD1 3.08Å; E882-L886 PolarHBondContact O-N 2.81Å
883	T	46.4	Very low	56.3	Low	34 Å²	34	85 Å²	85	21%	0.209	42%	0.418	C	S	.	.	H	α-helix	trans	-71.7	-39.6	173.8	47.9	0	0	0	0	110.7	V879 K880 L886 Q887	V879-T883 HydrophobicContact CG1-CG2 4.01Å; V879-T883 WeakPolarHBondContact O-CA 3.07Å; V879-T883 VanDerWaalsContact O-CB 3.23Å; V879-T883 WeakPolarHBondContact O-CB 3.36Å; V879-T883 VanDerWaalsContact O-CG2 3.23Å; V879-T883 WeakPolarHBondContact O-CG2 3.45Å; V879-T883 PolarHBondContact O-N 3.27Å; V879-T883 PolarHBondContact O-OG1 3.1Å; K880-T883 WeakPolarHBondContact CA-OG1 3.14Å; K880-T883 CarbonylContact O-C 3.58Å; K880-T883 PolarHBondContact O-N 3.49Å; K880-T883 PolarHBondContact O-OG1 2.05Å; T883-L886 PolarHBondContact O-N 3.46Å; T883-Q887 WeakPolarHBondContact O-CA 3.48Å; T883-Q887 WeakPolarHBondContact O-CB 3.21Å; T883-Q887 PolarHBondContact O-N 3.4Å
884	E	54	Low	58.5	Low	101 Å²	101	86.1 Å²	86.1	47%	0.472	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-40.4	174.7	-75.1	165.6	177.4	0	0	110.2	K880 H888	K880-E884 WeakPolarHBondContact CD-OE1 3.32Å; K880-E884 WeakPolarHBondContact CE-OE1 3.47Å; K880-E884 HydrophobicContact CG-CG 4.48Å; K880-E884 IonicContact NZ-OE1 2.84Å; K880-E884 VanDerWaalsContact O-CB 3.29Å; K880-E884 WeakPolarHBondContact O-CB 3.25Å; K880-E884 WeakPolarHBondContact O-CG 3.22Å; K880-E884 PolarHBondContact O-N 3.3Å; E884-H888 VanDerWaalsContact O-CB 3.28Å; E884-H888 WeakPolarHBondContact O-CB 3.28Å; E884-H888 PolarHBondContact O-N 2.98Å
885	K	56.2	Low	60.8	Low	138 Å²	138	81.9 Å²	81.9	60%	0.6	39%	0.39	S	S	*	.	H	α-helix	trans	-69.4	-38.6	174.4	-161.3	174.8	-175.1	-179.6	0	113	R881 R889	R881-K885 WeakPolarHBondContact O-CB 3.06Å; R881-K885 PolarHBondContact O-N 3.18Å; K885-R889 PolarHBondContact O-N 3.21Å
886	L	58.5	Low	63.3	Low	40 Å²	40	78.7 Å²	78.7	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-71.3	-37.2	174	-104.8	88.4	0	0	0	112.3	E882 T883 R889 C890 Q942	E882-L886 VanDerWaalsContact O-CB 3.25Å; E882-L886 WeakPolarHBondContact O-CB 3.32Å; E882-L886 VanDerWaalsContact O-CD1 3.3Å; E882-L886 WeakPolarHBondContact O-CD1 3.08Å; E882-L886 PolarHBondContact O-N 2.81Å; T883-L886 PolarHBondContact O-N 3.46Å; L886-R889 VanDerWaalsContact O-CB 3.31Å; L886-R889 WeakPolarHBondContact O-CB 3.25Å; L886-R889 PolarHBondContact O-N 2.79Å; L886-C890 PolarHBondContact O-N 2.96Å; L886-C890 PolarHBondContact O-SG 2.77Å; L886-C890 VanDerWaalsContact O-SG 3.32Å; L886-Q942 HydrophobicContact CD2-CB 4.21Å; L886-Q942 HydrophobicContact CD2-CG 4.41Å
887	Q	65.1	Low	65.4	Low	88 Å²	88	77.2 Å²	77.2	41%	0.411	38%	0.378	S	S	.	.	H	α-helix	trans	-68.7	-42.2	178.6	-160.4	153.1	14.1	0	0	108.6	T883 R889 C890 E891	T883-Q887 WeakPolarHBondContact O-CA 3.48Å; T883-Q887 WeakPolarHBondContact O-CB 3.21Å; T883-Q887 PolarHBondContact O-N 3.4Å; Q887-R889 VanDerWaalsContact C-N 3.31Å; Q887-R889 PolarHBondContact O-N 2.81Å; Q887-C890 PolarHBondContact O-N 2.87Å; Q887-E891 WeakPolarHBondContact O-CB 3.42Å; Q887-E891 WeakPolarHBondContact O-CG 3.33Å; Q887-E891 PolarHBondContact O-N 3.21Å
888	H	73.6	Confident	67.3	Low	115 Å²	115	77.2 Å²	77.2	53%	0.532	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-35.5	169.1	-171.2	-97.3	0	0	0	113.1	E884 E891 Q892	E884-H888 VanDerWaalsContact O-CB 3.28Å; E884-H888 WeakPolarHBondContact O-CB 3.28Å; E884-H888 PolarHBondContact O-N 2.98Å; H888-E891 PolarHBondContact O-N 3.47Å; H888-Q892 PolarHBondContact CE1-NE2 2.96Å; H888-Q892 PolarHBondContact ND1-NE2 2.91Å; H888-Q892 WeakPolarHBondContact O-CG 3.35Å; H888-Q892 PolarHBondContact O-N 3.36Å; H888-Q892 PolarHBondContact O-NE2 3.06Å
889	R	87.3	Confident	69.4	Low	69 Å²	69	77.6 Å²	77.6	26%	0.26	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-48.7	173.9	168.3	178.7	-57.2	-175.1	-4.9	112	K885 L886 Q887 E891 E930 N931 F933 Q942	K885-R889 PolarHBondContact O-N 3.21Å; L886-R889 VanDerWaalsContact O-CB 3.31Å; L886-R889 WeakPolarHBondContact O-CB 3.25Å; L886-R889 PolarHBondContact O-N 2.79Å; Q887-R889 VanDerWaalsContact C-N 3.31Å; Q887-R889 PolarHBondContact O-N 2.81Å; R889-E891 VanDerWaalsContact C-N 3.29Å; R889-E891 PolarHBondContact O-N 2.98Å; R889-E930 HydrophobicContact CB-CB 4.07Å; R889-E930 WeakPolarHBondContact CD-O 3.39Å; R889-E930 HydrophobicContact CG-CB 3.68Å; R889-E930 WeakPolarHBondContact CG-O 3.3Å; R889-E930 IonicContact CZ-OE2 3.83Å; R889-E930 IonicContact NE-OE2 3.82Å; R889-E930 PolarHBondContact NE-OE2 2.85Å; R889-E930 IonicContact NH2-OE2 3.84Å; R889-E930 PolarHBondContact NH2-OE2 3.1Å; R889-N931 WeakPolarHBondContact O-CB 3.37Å; R889-F933 HydrophobicContact CG-CE1 4.37Å; R889-F933 HydrophobicContact CG-CZ 4.04Å; R889-Q942 VanDerWaalsContact NH1-OE1 3.1Å
890	C	87.9	Confident	71	Confident	9 Å²	9	75.7 Å²	75.7	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-73.9	-20.5	-178.5	-60.5	0	0	0	0	112.9	L886 Q887 Y911 N931 C943	L886-C890 PolarHBondContact O-N 2.96Å; L886-C890 PolarHBondContact O-SG 2.77Å; L886-C890 VanDerWaalsContact O-SG 3.32Å; Q887-C890 PolarHBondContact O-N 2.87Å; C890-Y911 HydrophobicContact CB-CD1 3.84Å; C890-Y911 HydrophobicContact CB-CG 4.34Å; C890-Y911 WeakPolarHBondContact O-CD1 3.2Å; C890-N931 PolarHBondContact O-ND2 2.84Å; C890-C943 HydrophobicContact CB-CB 3.66Å; C890-C943 WeakPolarHBondContact CB-SG 3.09Å; C890-C943 WeakPolarHBondContact SG-CA 3.37Å; C890-C943 WeakPolarHBondContact SG-CB 3.49Å; C890-C943 CovalentContact SG-SG 2.03Å; C890-C943 PolarHBondContact SG-SG 3.24Å
891	E	84.1	Confident	72.5	Confident	88 Å²	88	80.9 Å²	80.9	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-86.5	-14.6	-179.5	-72.4	-178.5	158.6	0	0	114.4	Q887 H888 R889 K913	Q887-E891 WeakPolarHBondContact O-CB 3.42Å; Q887-E891 WeakPolarHBondContact O-CG 3.33Å; Q887-E891 PolarHBondContact O-N 3.21Å; H888-E891 PolarHBondContact O-N 3.47Å; R889-E891 VanDerWaalsContact C-N 3.29Å; R889-E891 PolarHBondContact O-N 2.98Å; E891-K913 HydrophobicContact CG-CD 4.12Å; E891-K913 IonicContact OE1-NZ 3.6Å; E891-K913 PolarHBondContact OE1-NZ 3.36Å
892	Q	85.5	Confident	73.7	Confident	38 Å²	38	76 Å²	76	18%	0.178	39%	0.391	C	S	.	.	S	Bend	trans	-65.5	142.2	177.5	-77.5	164.9	43	0	0	111.6	H888 N929 E930 N931	H888-Q892 PolarHBondContact CE1-NE2 2.96Å; H888-Q892 PolarHBondContact ND1-NE2 2.91Å; H888-Q892 WeakPolarHBondContact O-CG 3.35Å; H888-Q892 PolarHBondContact O-N 3.36Å; H888-Q892 PolarHBondContact O-NE2 3.06Å; Q892-N929 VanDerWaalsContact OE1-CB 3.27Å; Q892-E930 VanDerWaalsContact OE1-N 3.12Å; Q892-N931 HydrophobicContact CB-CB 4.1Å; Q892-N931 PolarHBondContact O-ND2 2.68Å
893	S	85.6	Confident	74.9	Confident	101 Å²	101	76.5 Å²	76.5	71%	0.706	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-65.7	154.2	176.6	-62.5	0	0	0	0	111.6	M895 N929	S893-M895 PolarHBondContact O-N 3.33Å; S893-N929 PolarHBondContact O-ND2 2.9Å
894	L	88.6	Confident	76	Confident	64 Å²	64	82.5 Å²	82.5	34%	0.335	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-56.8	130.8	173.9	166.8	146.1	0	0	0	111.7	K896 Y910 F921	L894-K896 HydrophobicContact CD2-CG 3.95Å; L894-Y910 HydrophobicContact CB-CD1 4.13Å; L894-Y910 HydrophobicContact CB-CD2 3.81Å; L894-Y910 HydrophobicContact CB-CE1 4.1Å; L894-Y910 HydrophobicContact CB-CE2 3.82Å; L894-Y910 HydrophobicContact CB-CG 3.97Å; L894-Y910 HydrophobicContact CD1-CD1 3.33Å; L894-Y910 HydrophobicContact CD1-CE1 3.22Å; L894-Y910 HydrophobicContact CD1-CE2 4.47Å; L894-Y910 HydrophobicContact CD1-CG 4.01Å; L894-Y910 HydrophobicContact CG-CD1 4.25Å; L894-Y910 HydrophobicContact CG-CE1 4.28Å; L894-Y910 HydrophobicContact CG-CG 4.47Å; L894-F921 HydrophobicContact CD1-CB 3.3Å; L894-F921 HydrophobicContact CD1-CD1 4.06Å; L894-F921 HydrophobicContact CD1-CD2 3.98Å; L894-F921 HydrophobicContact CD1-CG 3.53Å; L894-F921 HydrophobicContact CG-CB 4.42Å; L894-F921 HydrophobicContact CG-CD2 4.27Å; L894-F921 HydrophobicContact CG-CG 4.27Å
895	M	86.5	Confident	77.3	Confident	42 Å²	42	84.4 Å²	84.4	21%	0.207	42%	0.423	C	S	.	.			trans	-131.4	108.8	173.8	-165.8	179.8	172.6	0	0	110	V524 S525 P527 S893 G897 G928 N929	V524-M895 HydrophobicContact CG1-CE 4.11Å; S525-M895 WeakPolarHBondContact O-CE 3.47Å; P527-M895 HydrophobicContact CG-SD 4.34Å; S893-M895 PolarHBondContact O-N 3.33Å; M895-G897 PolarHBondContact O-N 3.04Å; M895-G897 VanDerWaalsContact O-N 3.17Å; M895-G928 WeakPolarHBondContact O-CA 3.43Å; M895-N929 HydrophobicContact CB-CB 4.24Å; M895-N929 HydrophobicContact SD-CB 4.31Å
896	K	84.5	Confident	78.7	Confident	104 Å²	104	80.5 Å²	80.5	45%	0.452	41%	0.413	S	S	.	.			trans	-65.9	-16.3	-176.6	-64.2	-169.4	178.1	-177.6	0	114.3	L894 F921 Y923 L924	L894-K896 HydrophobicContact CD2-CG 3.95Å; K896-F921 HydrophobicContact CG-CD2 4.29Å; K896-Y923 WeakPolarHBondContact O-CD2 3.35Å; K896-L924 HydrophobicContact CB-CG 4.36Å; K896-L924 WeakPolarHBondContact O-CB 3.35Å; K896-L924 PolarHBondContact O-N 2.67Å
897	G	81.6	Confident	80.1	Confident	23 Å²	23	86.9 Å²	86.9	24%	0.237	44%	0.435	C	S	.	.			trans	76.1	-157.1	-173.3	0	0	0	0	0	113	M895 C926	M895-G897 PolarHBondContact O-N 3.04Å; M895-G897 VanDerWaalsContact O-N 3.17Å; G897-C926 CarbonylContact C-O 3.58Å; G897-C926 WeakPolarHBondContact CA-O 3.47Å
898	S	80.3	Confident	81.4	Confident	47 Å²	47	83 Å²	83	33%	0.329	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	166.8	171.9	88.5	0	0	0	0	111.1	C900 L924 C926 Y927	S898-C900 PolarHBondContact O-N 3.25Å; S898-L924 CarbonylContact O-C 3.45Å; S898-L924 VanDerWaalsContact O-C 3.31Å; S898-L924 WeakPolarHBondContact O-CB 3.48Å; S898-L924 VanDerWaalsContact O-O 3.09Å; S898-C926 PolarHBondContact N-O 2.84Å; S898-C926 WeakPolarHBondContact O-CB 3.33Å; S898-C926 PolarHBondContact O-N 3.42Å; S898-C926 VanDerWaalsContact O-N 3.09Å; S898-Y927 WeakPolarHBondContact OG-CD2 3.03Å; S898-Y927 WeakPolarHBondContact OG-CE2 3.31Å
899	L	81.2	Confident	82.4	Confident	77 Å²	77	80.2 Å²	80.2	40%	0.403	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	123.2	176.5	-111.6	74.3	0	0	0	110.6	N903 L924	L899-N903 VanDerWaalsContact CD2-OD1 3.26Å; L899-N903 WeakPolarHBondContact CD2-OD1 3.46Å; L899-L924 WeakPolarHBondContact CA-O 3.39Å; L899-L924 HydrophobicContact CD1-CB 4.21Å; L899-L924 HydrophobicContact CD1-CD1 4.38Å; L899-L924 HydrophobicContact CD1-CD2 3.98Å; L899-L924 HydrophobicContact CD1-CG 4.42Å
900	C	73.4	Confident	82.7	Confident	20 Å²	20	78.4 Å²	78.4	14%	0.135	40%	0.396	C	S	.	.			trans	-67.4	159	165.2	-68.2	0	0	0	0	111.4	S898 S902 N903 G925 C926	S898-C900 PolarHBondContact O-N 3.25Å; C900-S902 WeakPolarHBondContact CB-OG 3.08Å; C900-S902 PolarHBondContact O-N 3.03Å; C900-N903 PolarHBondContact O-N 2.93Å; C900-G925 PolarHBondContact SG-O 3.05Å; C900-C926 WeakPolarHBondContact CA-SG 3.47Å; C900-C926 HydrophobicContact CB-CB 4.07Å; C900-C926 WeakPolarHBondContact CB-SG 3.12Å; C900-C926 WeakPolarHBondContact SG-CA 3.21Å; C900-C926 WeakPolarHBondContact SG-CB 3.16Å; C900-C926 PolarHBondContact SG-N 3.37Å; C900-C926 CovalentContact SG-SG 2.02Å; C900-C926 PolarHBondContact SG-SG 2.73Å
901	Q	72.9	Confident	83	Confident	208 Å²	208	78.4 Å²	78.4	97%	0.972	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-26.7	167.9	-70.8	178.6	-6.8	0	0	113.2	N903	Q901-N903 VanDerWaalsContact C-N 3.28Å; Q901-N903 PolarHBondContact O-N 2.9Å
902	S	71.2	Confident	83.2	Confident	85 Å²	85	75.2 Å²	75.2	59%	0.594	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.6	178.2	60.9	0	0	0	0	114.9	C900 K904	C900-S902 WeakPolarHBondContact CB-OG 3.08Å; C900-S902 PolarHBondContact O-N 3.03Å; S902-K904 PolarHBondContact O-N 2.87Å
903	N	68	Low	83	Confident	115 Å²	115	79.3 Å²	79.3	62%	0.615	40%	0.397	S	S	*	.			trans	50.6	18.6	-175.3	-85.1	-7	0	0	0	115.1	L899 C900 Q901 R905	L899-N903 VanDerWaalsContact CD2-OD1 3.26Å; L899-N903 WeakPolarHBondContact CD2-OD1 3.46Å; C900-N903 PolarHBondContact O-N 2.93Å; Q901-N903 VanDerWaalsContact C-N 3.28Å; Q901-N903 PolarHBondContact O-N 2.9Å; N903-R905 PolarHBondContact O-N 2.9Å
904	K	70.2	Confident	82.6	Confident	160 Å²	160	83.3 Å²	83.3	70%	0.696	41%	0.405	S	S	*	.			trans	-90.2	98.5	-172	-158.8	174.2	-174.4	177.6	0	110.5	S902	S902-K904 PolarHBondContact O-N 2.87Å
905	R	81.5	Confident	82.2	Confident	142 Å²	142	84 Å²	84	54%	0.536	41%	0.408	S	S	.	.			trans	-81.6	148.9	172.4	-49.4	-171.8	-168.9	-174.5	-0.1	110.2	N903 E922	N903-R905 PolarHBondContact O-N 2.9Å; R905-E922 WeakPolarHBondContact CD-OE1 3.11Å; R905-E922 IonicContact CZ-OE1 2.63Å; R905-E922 IonicContact NE-OE1 3.82Å; R905-E922 IonicContact NH1-OE1 3.45Å; R905-E922 PolarHBondContact NH1-OE1 3.32Å
906	S	85.3	Confident	82.1	Confident	55 Å²	55	87 Å²	87	39%	0.385	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.9	173.3	61.6	0	0	0	0	111.1	Y923	S906-Y923 PolarHBondContact N-O 3.3Å; S906-Y923 PolarHBondContact O-N 3.11Å
907	Y	88.8	Confident	82.3	Confident	175 Å²	175	88 Å²	88	69%	0.686	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.9	166	-74.1	-80.6	0	0	0	109.5	F921 E922	Y907-F921 WeakPolarHBondContact CA-O 3.42Å; Y907-E922 HydrophobicContact CE1-CB 4.43Å
908	S	91.9	Very high	82.8	Confident	5 Å²	5	87.3 Å²	87.3	4%	0.035	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	177.1	174.4	-72.1	0	0	0	0	109.8	S920 F921 N932 F933	S908-S920 CarbonylContact O-C 3.47Å; S908-S920 WeakPolarHBondContact O-CA 3.35Å; S908-F921 PolarHBondContact N-O 2.61Å; S908-F921 PolarHBondContact O-N 3.03Å; S908-N932 WeakPolarHBondContact CB-OD1 3.49Å; S908-N932 PolarHBondContact OG-OD1 2.89Å; S908-F933 CarbonylContact C-O 3.57Å; S908-F933 WeakPolarHBondContact CA-O 3.23Å
909	W	94	Very high	83.2	Confident	58 Å²	58	86.9 Å²	86.9	22%	0.22	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.8	179.5	-65.5	75.8	0	0	0	109.5	C918 I919 N932 F933 S935 E936 C939	W909-C918 HydrophobicContact CE3-CB 4.22Å; W909-I919 CarbonylContact C-O 3.51Å; W909-I919 WeakPolarHBondContact CA-O 3.14Å; W909-N932 CarbonylContact O-C 3.53Å; W909-N932 WeakPolarHBondContact O-CA 3.4Å; W909-F933 HydrophobicContact CB-CB 4.3Å; W909-F933 PolarHBondContact N-O 2.88Å; W909-F933 VanDerWaalsContact O-CD2 3.28Å; W909-F933 WeakPolarHBondContact O-CD2 3.44Å; W909-F933 PolarHBondContact O-N 3.09Å; W909-S935 VanDerWaalsContact CD1-CA 3.46Å; W909-E936 VanDerWaalsContact CD1-N 3.27Å; W909-E936 VanDerWaalsContact CD2-CA 3.47Å; W909-E936 HydrophobicContact CD2-CB 3.61Å; W909-E936 HydrophobicContact CD2-CG 4.21Å; W909-E936 HydrophobicContact CE3-CB 3.62Å; W909-E936 HydrophobicContact CE3-CG 3.67Å; W909-E936 HydrophobicContact CG-CB 4.36Å; W909-E936 HydrophobicContact CH2-CB 3.63Å; W909-E936 VanDerWaalsContact CH2-CD 3.47Å; W909-E936 HydrophobicContact CH2-CG 3.78Å; W909-E936 WeakPolarHBondContact CH2-OE2 3.5Å; W909-E936 HydrophobicContact CZ2-CB 3.65Å; W909-E936 HydrophobicContact CZ2-CG 4.33Å; W909-E936 HydrophobicContact CZ3-CB 3.62Å; W909-E936 VanDerWaalsContact CZ3-CD 3.41Å; W909-E936 HydrophobicContact CZ3-CG 3.43Å; W909-E936 VanDerWaalsContact CZ3-CG 3.43Å; W909-C939 HydrophobicContact CB-CB 3.99Å
910	Y	93.4	Very high	83.7	Confident	31 Å²	31	86.1 Å²	86.1	12%	0.122	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.3	170.8	81.4	-75.6	0	0	0	109	L894 D912 C918 I919 F921 N931	L894-Y910 HydrophobicContact CB-CD1 4.13Å; L894-Y910 HydrophobicContact CB-CD2 3.81Å; L894-Y910 HydrophobicContact CB-CE1 4.1Å; L894-Y910 HydrophobicContact CB-CE2 3.82Å; L894-Y910 HydrophobicContact CB-CG 3.97Å; L894-Y910 HydrophobicContact CD1-CD1 3.33Å; L894-Y910 HydrophobicContact CD1-CE1 3.22Å; L894-Y910 HydrophobicContact CD1-CE2 4.47Å; L894-Y910 HydrophobicContact CD1-CG 4.01Å; L894-Y910 HydrophobicContact CG-CD1 4.25Å; L894-Y910 HydrophobicContact CG-CE1 4.28Å; L894-Y910 HydrophobicContact CG-CG 4.47Å; Y910-D912 HydrophobicContact CD2-CB 4.43Å; Y910-D912 HydrophobicContact CE2-CB 3.59Å; Y910-D912 PolarHBondContact OH-OD2 2.97Å; Y910-C918 CarbonylContact O-C 3.48Å; Y910-C918 VanDerWaalsContact O-CA 3.32Å; Y910-C918 WeakPolarHBondContact O-CA 3.45Å; Y910-I919 HydrophobicContact CD1-CB 4.12Å; Y910-I919 WeakPolarHBondContact CD1-O 3.45Å; Y910-I919 HydrophobicContact CE1-CB 3.56Å; Y910-I919 HydrophobicContact CE1-CG2 3.88Å; Y910-I919 PolarHBondContact N-O 3.32Å; Y910-I919 PolarHBondContact O-N 3.08Å; Y910-F921 HydrophobicContact CD1-CB 4.46Å; Y910-F921 AromaticContact CD1-CD1 3.88Å; Y910-F921 HydrophobicContact CD1-CD1 3.88Å; Y910-F921 HydrophobicContact CD1-CG 4.44Å; Y910-F921 HydrophobicContact CG-CD1 4.42Å; Y910-N931 WeakPolarHBondContact CA-O 3.24Å; Y910-N931 WeakPolarHBondContact CB-O 3.23Å
911	Y	93.7	Very high	84.6	Confident	9 Å²	9	85.7 Å²	85.7	4%	0.035	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.8	172.5	-174.2	-114.8	0	0	0	110.5	C890 N916 N931 C943 V944	C890-Y911 HydrophobicContact CB-CD1 3.84Å; C890-Y911 HydrophobicContact CB-CG 4.34Å; C890-Y911 WeakPolarHBondContact O-CD1 3.2Å; Y911-N916 PolarHBondContact OH-OD1 2.82Å; Y911-N931 PolarHBondContact N-OD1 3Å; Y911-N931 PolarHBondContact O-ND2 3.05Å; Y911-C943 VanDerWaalsContact CB-SG 3.51Å; Y911-C943 HydrophobicContact CD1-CB 3.77Å; Y911-C943 HydrophobicContact CD2-CB 3.54Å; Y911-C943 HydrophobicContact CE1-CB 4.24Å; Y911-C943 HydrophobicContact CE2-CB 4.09Å; Y911-C943 HydrophobicContact CG-CB 3.34Å; Y911-V944 HydrophobicContact CD2-CG2 4.1Å; Y911-V944 HydrophobicContact CE2-CG2 3.54Å
912	D	88.2	Confident	85.5	Confident	20 Å²	20	78.6 Å²	78.6	11%	0.107	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	104.2	175.1	-167.2	-45.6	0	0	0	109.3	Y910 Q914 M915 N916 R917 I919	Y910-D912 HydrophobicContact CD2-CB 4.43Å; Y910-D912 HydrophobicContact CE2-CB 3.59Å; Y910-D912 PolarHBondContact OH-OD2 2.97Å; D912-Q914 PolarHBondContact O-N 3.2Å; D912-Q914 WeakPolarHBondContact OD1-CA 2.95Å; D912-Q914 WeakPolarHBondContact OD1-CB 3.08Å; D912-Q914 PolarHBondContact OD1-N 2.8Å; D912-M915 HydrophobicContact CB-CB 4.1Å; D912-M915 HydrophobicContact CB-CG 4.43Å; D912-M915 CarbonylContact O-C 3.54Å; D912-M915 PolarHBondContact O-N 2.96Å; D912-M915 PolarHBondContact OD1-N 2.91Å; D912-N916 WeakPolarHBondContact O-CA 3.47Å; D912-N916 PolarHBondContact O-N 2.91Å; D912-R917 PolarHBondContact N-O 3.13Å; D912-R917 PolarHBondContact O-N 3.43Å; D912-I919 HydrophobicContact CB-CD1 3.63Å; D912-I919 HydrophobicContact CB-CG1 4.19Å
913	K	81.2	Confident	86.2	Confident	124 Å²	124	76.5 Å²	76.5	54%	0.539	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31	178.5	-171.8	175.9	-171.4	166.4	0	112.6	E891	E891-K913 HydrophobicContact CG-CD 4.12Å; E891-K913 IonicContact OE1-NZ 3.6Å; E891-K913 PolarHBondContact OE1-NZ 3.36Å
914	Q	78.7	Confident	87.1	Confident	185 Å²	185	72.7 Å²	72.7	86%	0.864	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-35.8	178.4	-63.7	-175.3	-9.2	0	0	111.3	D912	D912-Q914 PolarHBondContact O-N 3.2Å; D912-Q914 WeakPolarHBondContact OD1-CA 2.95Å; D912-Q914 WeakPolarHBondContact OD1-CB 3.08Å; D912-Q914 PolarHBondContact OD1-N 2.8Å
915	M	80.8	Confident	87.5	Confident	79 Å²	79	66 Å²	66	39%	0.389	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-3.2	178	-57.5	-158.9	-162.5	0	0	114.3	D912 R917 I919	D912-M915 HydrophobicContact CB-CB 4.1Å; D912-M915 HydrophobicContact CB-CG 4.43Å; D912-M915 CarbonylContact O-C 3.54Å; D912-M915 PolarHBondContact O-N 2.96Å; D912-M915 PolarHBondContact OD1-N 2.91Å; M915-R917 HydrophobicContact CB-CG 3.78Å; M915-R917 PolarHBondContact O-N 2.9Å; M915-R917 PolarHBondContact SD-NH2 3.28Å; M915-I919 HydrophobicContact CB-CD1 4.33Å; M915-I919 HydrophobicContact CE-CD1 4.38Å; M915-I919 HydrophobicContact CG-CD1 4.32Å; M915-I919 HydrophobicContact SD-CD1 3.66Å
916	N	83.2	Confident	87.5	Confident	105 Å²	105	61.1 Å²	61.1	56%	0.561	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	40	-176	-156.6	57.1	0	0	0	113.3	Y911 D912	Y911-N916 PolarHBondContact OH-OD1 2.82Å; D912-N916 WeakPolarHBondContact O-CA 3.47Å; D912-N916 PolarHBondContact O-N 2.91Å
917	R	89.4	Confident	87.3	Confident	124 Å²	124	66 Å²	66	47%	0.468	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.7	-176.2	70.3	-177.3	-180	176.5	-2.5	112.2	D912 M915 I919	D912-R917 PolarHBondContact N-O 3.13Å; D912-R917 PolarHBondContact O-N 3.43Å; M915-R917 HydrophobicContact CB-CG 3.78Å; M915-R917 PolarHBondContact O-N 2.9Å; M915-R917 PolarHBondContact SD-NH2 3.28Å; R917-I919 HydrophobicContact CG-CD1 4.1Å; R917-I919 HydrophobicContact CG-CG1 3.81Å
918	C	90.9	Very high	86.8	Confident	10 Å²	10	58.1 Å²	58.1	7%	0.068	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.6	172.1	-69.7	0	0	0	0	111	W909 Y910 E936 C939 I940	W909-C918 HydrophobicContact CE3-CB 4.22Å; Y910-C918 CarbonylContact O-C 3.48Å; Y910-C918 VanDerWaalsContact O-CA 3.32Å; Y910-C918 WeakPolarHBondContact O-CA 3.45Å; C918-E936 HydrophobicContact CB-CG 4.39Å; C918-C939 HydrophobicContact CB-CB 3.6Å; C918-C939 WeakPolarHBondContact CB-SG 3.31Å; C918-C939 WeakPolarHBondContact SG-CB 3.42Å; C918-C939 CovalentContact SG-SG 2.02Å; C918-C939 PolarHBondContact SG-SG 3.35Å; C918-I940 HydrophobicContact CB-CG1 4.05Å; C918-I940 PolarHBondContact SG-N 3.04Å
919	I	90.3	Very high	86.6	Confident	37 Å²	37	59.4 Å²	59.4	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.1	-176.2	-55.3	-179	0	0	0	109	W909 Y910 D912 M915 R917	W909-I919 CarbonylContact C-O 3.51Å; W909-I919 WeakPolarHBondContact CA-O 3.14Å; Y910-I919 HydrophobicContact CD1-CB 4.12Å; Y910-I919 WeakPolarHBondContact CD1-O 3.45Å; Y910-I919 HydrophobicContact CE1-CB 3.56Å; Y910-I919 HydrophobicContact CE1-CG2 3.88Å; Y910-I919 PolarHBondContact N-O 3.32Å; Y910-I919 PolarHBondContact O-N 3.08Å; D912-I919 HydrophobicContact CB-CD1 3.63Å; D912-I919 HydrophobicContact CB-CG1 4.19Å; M915-I919 HydrophobicContact CB-CD1 4.33Å; M915-I919 HydrophobicContact CE-CD1 4.38Å; M915-I919 HydrophobicContact CG-CD1 4.32Å; M915-I919 HydrophobicContact SD-CD1 3.66Å; R917-I919 HydrophobicContact CG-CD1 4.1Å; R917-I919 HydrophobicContact CG-CG1 3.81Å
920	S	91.6	Very high	86.3	Confident	61 Å²	61	60.4 Å²	60.4	43%	0.427	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.1	177.3	65.8	0	0	0	0	112.1	S908	S908-S920 CarbonylContact O-C 3.47Å; S908-S920 WeakPolarHBondContact O-CA 3.35Å
921	F	91.2	Very high	86.3	Confident	11 Å²	11	58.9 Å²	58.9	5%	0.048	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.7	174.1	74.7	-78.4	0	0	0	112.7	L894 K896 Y907 S908 Y910 Y923 N932	L894-F921 HydrophobicContact CD1-CB 3.3Å; L894-F921 HydrophobicContact CD1-CD1 4.06Å; L894-F921 HydrophobicContact CD1-CD2 3.98Å; L894-F921 HydrophobicContact CD1-CG 3.53Å; L894-F921 HydrophobicContact CG-CB 4.42Å; L894-F921 HydrophobicContact CG-CD2 4.27Å; L894-F921 HydrophobicContact CG-CG 4.27Å; K896-F921 HydrophobicContact CG-CD2 4.29Å; Y907-F921 WeakPolarHBondContact CA-O 3.42Å; S908-F921 PolarHBondContact N-O 2.61Å; S908-F921 PolarHBondContact O-N 3.03Å; Y910-F921 HydrophobicContact CD1-CB 4.46Å; Y910-F921 AromaticContact CD1-CD1 3.88Å; Y910-F921 HydrophobicContact CD1-CD1 3.88Å; Y910-F921 HydrophobicContact CD1-CG 4.44Å; Y910-F921 HydrophobicContact CG-CD1 4.42Å; F921-Y923 HydrophobicContact CE2-CD2 4.19Å; F921-Y923 PolarHBondContact O-N 3.15Å; F921-N932 HydrophobicContact CE1-CB 4.42Å; F921-N932 HydrophobicContact CZ-CB 3.96Å
922	E	91.1	Very high	86.2	Confident	60 Å²	60	60.4 Å²	60.4	28%	0.28	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111.9	171.9	-173.4	-176.1	-162	0	0	109	R905 Y907 L924	R905-E922 WeakPolarHBondContact CD-OE1 3.11Å; R905-E922 IonicContact CZ-OE1 2.63Å; R905-E922 IonicContact NE-OE1 3.82Å; R905-E922 IonicContact NH1-OE1 3.45Å; R905-E922 PolarHBondContact NH1-OE1 3.32Å; Y907-E922 HydrophobicContact CE1-CB 4.43Å; E922-L924 HydrophobicContact CG-CD2 4.31Å
923	Y	87.6	Confident	86.4	Confident	40 Å²	40	59.5 Å²	59.5	16%	0.157	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.5	172	178.9	-119.4	0	0	0	109.1	K896 S906 F921 G925 Y927 N932	K896-Y923 WeakPolarHBondContact O-CD2 3.35Å; S906-Y923 PolarHBondContact N-O 3.3Å; S906-Y923 PolarHBondContact O-N 3.11Å; F921-Y923 HydrophobicContact CE2-CD2 4.19Å; F921-Y923 PolarHBondContact O-N 3.15Å; Y923-G925 VanDerWaalsContact CE1-C 3.4Å; Y923-G925 VanDerWaalsContact CE1-CA 3.46Å; Y923-G925 VanDerWaalsContact CE1-O 3.24Å; Y923-G925 WeakPolarHBondContact CE1-O 3.32Å; Y923-G925 VanDerWaalsContact CZ-C 3.45Å; Y923-G925 PolarHBondContact O-N 2.85Å; Y923-G925 PolarHBondContact OH-O 2.84Å; Y923-Y927 WeakPolarHBondContact CE2-O 3.29Å; Y923-Y927 PolarHBondContact OH-O 3.03Å; Y923-N932 WeakPolarHBondContact CD2-ND2 3.47Å; Y923-N932 WeakPolarHBondContact CE2-ND2 3.42Å
924	L	86.2	Confident	86.8	Confident	35 Å²	35	64.3 Å²	64.3	18%	0.183	31%	0.306	C	S	.	.			trans	-76.8	-0.9	-173.4	-62.8	-174.7	0	0	0	113.6	K896 S898 L899 E922	K896-L924 HydrophobicContact CB-CG 4.36Å; K896-L924 WeakPolarHBondContact O-CB 3.35Å; K896-L924 PolarHBondContact O-N 2.67Å; S898-L924 CarbonylContact O-C 3.45Å; S898-L924 VanDerWaalsContact O-C 3.31Å; S898-L924 WeakPolarHBondContact O-CB 3.48Å; S898-L924 VanDerWaalsContact O-O 3.09Å; L899-L924 WeakPolarHBondContact CA-O 3.39Å; L899-L924 HydrophobicContact CD1-CB 4.21Å; L899-L924 HydrophobicContact CD1-CD1 4.38Å; L899-L924 HydrophobicContact CD1-CD2 3.98Å; L899-L924 HydrophobicContact CD1-CG 4.42Å; E922-L924 HydrophobicContact CG-CD2 4.31Å
925	G	78.2	Confident	87.4	Confident	20 Å²	20	57.8 Å²	57.8	21%	0.206	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.4	-35.8	170.3	0	0	0	0	0	113.4	C900 Y923	C900-G925 PolarHBondContact SG-O 3.05Å; Y923-G925 VanDerWaalsContact CE1-C 3.4Å; Y923-G925 VanDerWaalsContact CE1-CA 3.46Å; Y923-G925 VanDerWaalsContact CE1-O 3.24Å; Y923-G925 WeakPolarHBondContact CE1-O 3.32Å; Y923-G925 VanDerWaalsContact CZ-C 3.45Å; Y923-G925 PolarHBondContact O-N 2.85Å; Y923-G925 PolarHBondContact OH-O 2.84Å
926	C	81.7	Confident	87.8	Confident	40 Å²	40	58.4 Å²	58.4	27%	0.27	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	155.5	-178.9	-82.6	0	0	0	0	110.5	G897 S898 C900	G897-C926 CarbonylContact C-O 3.58Å; G897-C926 WeakPolarHBondContact CA-O 3.47Å; S898-C926 PolarHBondContact N-O 2.84Å; S898-C926 WeakPolarHBondContact O-CB 3.33Å; S898-C926 PolarHBondContact O-N 3.42Å; S898-C926 VanDerWaalsContact O-N 3.09Å; C900-C926 WeakPolarHBondContact CA-SG 3.47Å; C900-C926 HydrophobicContact CB-CB 4.07Å; C900-C926 WeakPolarHBondContact CB-SG 3.12Å; C900-C926 WeakPolarHBondContact SG-CA 3.21Å; C900-C926 WeakPolarHBondContact SG-CB 3.16Å; C900-C926 PolarHBondContact SG-N 3.37Å; C900-C926 CovalentContact SG-SG 2.02Å; C900-C926 PolarHBondContact SG-SG 2.73Å
927	Y	80.4	Confident	88	Confident	158 Å²	158	61 Å²	61	62%	0.62	29%	0.289	S	S	*	.			trans	62	-145.9	-177.2	-49.5	-83.3	0	0	0	112.7	S898 Y923	S898-Y927 WeakPolarHBondContact OG-CD2 3.03Å; S898-Y927 WeakPolarHBondContact OG-CE2 3.31Å; Y923-Y927 WeakPolarHBondContact CE2-O 3.29Å; Y923-Y927 PolarHBondContact OH-O 3.03Å
928	G	79.3	Confident	88	Confident	9 Å²	9	58.4 Å²	58.4	9%	0.093	28%	0.282	C	S	.	.			trans	86.5	-161.5	-171.4	0	0	0	0	0	111.5	M895	M895-G928 WeakPolarHBondContact O-CA 3.43Å
929	N	87.4	Confident	88.1	Confident	31 Å²	31	57.9 Å²	57.9	17%	0.166	28%	0.279	C	S	.	.			trans	-142.9	-178.5	-179.3	69.2	10.4	0	0	0	111.5	Q892 S893 M895 N931 N932	Q892-N929 VanDerWaalsContact OE1-CB 3.27Å; S893-N929 PolarHBondContact O-ND2 2.9Å; M895-N929 HydrophobicContact CB-CB 4.24Å; M895-N929 HydrophobicContact SD-CB 4.31Å; N929-N931 PolarHBondContact O-N 3.24Å; N929-N931 PolarHBondContact OD1-N 2.93Å; N929-N932 VanDerWaalsContact O-CB 3.31Å; N929-N932 WeakPolarHBondContact O-CB 3.48Å
930	E	88.8	Confident	87.9	Confident	79 Å²	79	58.1 Å²	58.1	37%	0.369	28%	0.28	S	S	.	.	S	Bend	trans	-72.1	-15.8	-170.7	-65.5	-162.7	-160.9	0	0	113.6	R889 Q892 N932	R889-E930 HydrophobicContact CB-CB 4.07Å; R889-E930 WeakPolarHBondContact CD-O 3.39Å; R889-E930 HydrophobicContact CG-CB 3.68Å; R889-E930 WeakPolarHBondContact CG-O 3.3Å; R889-E930 IonicContact CZ-OE2 3.83Å; R889-E930 IonicContact NE-OE2 3.82Å; R889-E930 PolarHBondContact NE-OE2 2.85Å; R889-E930 IonicContact NH2-OE2 3.84Å; R889-E930 PolarHBondContact NH2-OE2 3.1Å; Q892-E930 VanDerWaalsContact OE1-N 3.12Å; E930-N932 PolarHBondContact O-N 3.03Å
931	N	92.4	Very high	87.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.282	C	S	.	.			trans	-75.3	56.6	174.4	-156	0.7	0	0	0	110.9	R889 C890 Q892 Y910 Y911 N929 F933	R889-N931 WeakPolarHBondContact O-CB 3.37Å; C890-N931 PolarHBondContact O-ND2 2.84Å; Q892-N931 HydrophobicContact CB-CB 4.1Å; Q892-N931 PolarHBondContact O-ND2 2.68Å; Y910-N931 WeakPolarHBondContact CA-O 3.24Å; Y910-N931 WeakPolarHBondContact CB-O 3.23Å; Y911-N931 PolarHBondContact N-OD1 3Å; Y911-N931 PolarHBondContact O-ND2 3.05Å; N929-N931 PolarHBondContact O-N 3.24Å; N929-N931 PolarHBondContact OD1-N 2.93Å; N931-F933 VanDerWaalsContact OD1-CE2 3.26Å; N931-F933 WeakPolarHBondContact OD1-CE2 3.42Å
932	N	91.9	Very high	87.4	Confident	40 Å²	40	60.5 Å²	60.5	21%	0.214	29%	0.29	C	S	.	.			trans	-146.3	96.8	-171.1	-176.1	-17.9	0	0	0	109	S908 W909 F921 Y923 N929 E930	S908-N932 WeakPolarHBondContact CB-OD1 3.49Å; S908-N932 PolarHBondContact OG-OD1 2.89Å; W909-N932 CarbonylContact O-C 3.53Å; W909-N932 WeakPolarHBondContact O-CA 3.4Å; F921-N932 HydrophobicContact CE1-CB 4.42Å; F921-N932 HydrophobicContact CZ-CB 3.96Å; Y923-N932 WeakPolarHBondContact CD2-ND2 3.47Å; Y923-N932 WeakPolarHBondContact CE2-ND2 3.42Å; N929-N932 VanDerWaalsContact O-CB 3.31Å; N929-N932 WeakPolarHBondContact O-CB 3.48Å; E930-N932 PolarHBondContact O-N 3.03Å
933	F	93.4	Very high	87.2	Confident	1 Å²	1	57.9 Å²	57.9	0%	0.004	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-107.3	142.9	-178	-51.1	-76.6	0	0	0	109.9	R889 S908 W909 N931 S935 E938 C939 Q942 C943	R889-F933 HydrophobicContact CG-CE1 4.37Å; R889-F933 HydrophobicContact CG-CZ 4.04Å; S908-F933 CarbonylContact C-O 3.57Å; S908-F933 WeakPolarHBondContact CA-O 3.23Å; W909-F933 HydrophobicContact CB-CB 4.3Å; W909-F933 PolarHBondContact N-O 2.88Å; W909-F933 VanDerWaalsContact O-CD2 3.28Å; W909-F933 WeakPolarHBondContact O-CD2 3.44Å; W909-F933 PolarHBondContact O-N 3.09Å; N931-F933 VanDerWaalsContact OD1-CE2 3.26Å; N931-F933 WeakPolarHBondContact OD1-CE2 3.42Å; F933-S935 PolarHBondContact O-N 3.44Å; F933-E938 HydrophobicContact CB-CB 4.16Å; F933-E938 HydrophobicContact CB-CG 4.08Å; F933-E938 HydrophobicContact CD1-CG 4.01Å; F933-E938 HydrophobicContact CG-CG 4.47Å; F933-C939 HydrophobicContact CB-CB 3.82Å; F933-C939 HydrophobicContact CD2-CB 3.31Å; F933-C939 VanDerWaalsContact CD2-SG 3.5Å; F933-C939 HydrophobicContact CE2-CB 4.02Å; F933-C939 HydrophobicContact CG-CB 3.68Å; F933-Q942 HydrophobicContact CE1-CB 3.87Å; F933-Q942 HydrophobicContact CE1-CG 4.29Å; F933-Q942 HydrophobicContact CZ-CB 4.31Å; F933-C943 VanDerWaalsContact CE2-SG 3.52Å; F933-C943 WeakPolarHBondContact CZ-SG 3.42Å
934	R	89.3	Confident	86.9	Confident	226 Å²	226	57.6 Å²	57.6	85%	0.853	28%	0.281	S	S	*	.	S	Bend	trans	-72.4	-18.6	-177.5	-72.7	-178.6	173.8	180	-0.2	113.3	E938	R934-E938 PolarHBondContact N-OE2 2.02Å
935	S	89.9	Confident	86.2	Confident	48 Å²	48	63.4 Å²	63.4	34%	0.336	30%	0.301	S	S	.	.	S	Bend	trans	-145.2	155.4	-179.8	66.9	0	0	0	0	111.8	W909 F933 K937 E938 C939	W909-S935 VanDerWaalsContact CD1-CA 3.46Å; F933-S935 PolarHBondContact O-N 3.44Å; S935-K937 PolarHBondContact O-N 3.09Å; S935-E938 WeakPolarHBondContact O-CB 3.47Å; S935-E938 PolarHBondContact O-N 3.07Å; S935-E938 VanDerWaalsContact O-N 3.13Å; S935-E938 VanDerWaalsContact OG-CB 3.32Å; S935-E938 WeakPolarHBondContact OG-CB 3.45Å; S935-E938 PolarHBondContact OG-N 3Å; S935-E938 VanDerWaalsContact OG-N 3.11Å; S935-C939 PolarHBondContact O-N 3Å
936	E	89.3	Confident	85.3	Confident	91 Å²	91	68.5 Å²	68.5	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-55.9	-43.8	173.1	-171.3	172.6	-160	0	0	111	W909 C918 E938 C939 I940	W909-E936 VanDerWaalsContact CD1-N 3.27Å; W909-E936 VanDerWaalsContact CD2-CA 3.47Å; W909-E936 HydrophobicContact CD2-CB 3.61Å; W909-E936 HydrophobicContact CD2-CG 4.21Å; W909-E936 HydrophobicContact CE3-CB 3.62Å; W909-E936 HydrophobicContact CE3-CG 3.67Å; W909-E936 HydrophobicContact CG-CB 4.36Å; W909-E936 HydrophobicContact CH2-CB 3.63Å; W909-E936 VanDerWaalsContact CH2-CD 3.47Å; W909-E936 HydrophobicContact CH2-CG 3.78Å; W909-E936 WeakPolarHBondContact CH2-OE2 3.5Å; W909-E936 HydrophobicContact CZ2-CB 3.65Å; W909-E936 HydrophobicContact CZ2-CG 4.33Å; W909-E936 HydrophobicContact CZ3-CB 3.62Å; W909-E936 VanDerWaalsContact CZ3-CD 3.41Å; W909-E936 HydrophobicContact CZ3-CG 3.43Å; W909-E936 VanDerWaalsContact CZ3-CG 3.43Å; C918-E936 HydrophobicContact CB-CG 4.39Å; E936-E938 VanDerWaalsContact C-N 3.3Å; E936-E938 PolarHBondContact O-N 3.28Å; E936-C939 WeakPolarHBondContact O-CB 3.46Å; E936-C939 PolarHBondContact O-N 3.17Å; E936-C939 VanDerWaalsContact O-N 3.17Å; E936-I940 HydrophobicContact CG-CD1 3.69Å; E936-I940 HydrophobicContact CG-CG1 4.19Å; E936-I940 VanDerWaalsContact O-CG1 3.29Å; E936-I940 WeakPolarHBondContact O-CG1 3.14Å; E936-I940 PolarHBondContact O-N 3.1Å
937	K	87.5	Confident	83.8	Confident	161 Å²	161	70.5 Å²	70.5	70%	0.7	32%	0.322	S	S	*	.	H	α-helix	trans	-58	-43.2	177.9	-173.6	177.9	-180	-179.5	0	111.5	S935 T941	S935-K937 PolarHBondContact O-N 3.09Å; K937-T941 VanDerWaalsContact O-CB 3.22Å; K937-T941 WeakPolarHBondContact O-CB 3.41Å; K937-T941 PolarHBondContact O-N 3.01Å; K937-T941 PolarHBondContact O-OG1 2.94Å
938	E	90.5	Very high	82.1	Confident	68 Å²	68	69.6 Å²	69.6	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-46	177.2	-176.2	-178.5	-168.5	0	0	111.2	F933 R934 S935 E936 T941 Q942	F933-E938 HydrophobicContact CB-CB 4.16Å; F933-E938 HydrophobicContact CB-CG 4.08Å; F933-E938 HydrophobicContact CD1-CG 4.01Å; F933-E938 HydrophobicContact CG-CG 4.47Å; R934-E938 PolarHBondContact N-OE2 2.02Å; S935-E938 WeakPolarHBondContact O-CB 3.47Å; S935-E938 PolarHBondContact O-N 3.07Å; S935-E938 VanDerWaalsContact O-N 3.13Å; S935-E938 VanDerWaalsContact OG-CB 3.32Å; S935-E938 WeakPolarHBondContact OG-CB 3.45Å; S935-E938 PolarHBondContact OG-N 3Å; S935-E938 VanDerWaalsContact OG-N 3.11Å; E936-E938 VanDerWaalsContact C-N 3.3Å; E936-E938 PolarHBondContact O-N 3.28Å; E938-T941 PolarHBondContact O-N 3.43Å; E938-Q942 WeakPolarHBondContact O-CB 3.4Å; E938-Q942 WeakPolarHBondContact O-CG 3.5Å; E938-Q942 PolarHBondContact O-N 3.01Å; E938-Q942 PolarHBondContact OE1-NE2 3.04Å
939	C	92.5	Very high	80.2	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-48.4	176	178.5	0	0	0	0	112.2	W909 C918 F933 S935 E936 T941 Q942 C943	W909-C939 HydrophobicContact CB-CB 3.99Å; C918-C939 HydrophobicContact CB-CB 3.6Å; C918-C939 WeakPolarHBondContact CB-SG 3.31Å; C918-C939 WeakPolarHBondContact SG-CB 3.42Å; C918-C939 CovalentContact SG-SG 2.02Å; C918-C939 PolarHBondContact SG-SG 3.35Å; F933-C939 HydrophobicContact CB-CB 3.82Å; F933-C939 HydrophobicContact CD2-CB 3.31Å; F933-C939 VanDerWaalsContact CD2-SG 3.5Å; F933-C939 HydrophobicContact CE2-CB 4.02Å; F933-C939 HydrophobicContact CG-CB 3.68Å; S935-C939 PolarHBondContact O-N 3Å; E936-C939 WeakPolarHBondContact O-CB 3.46Å; E936-C939 PolarHBondContact O-N 3.17Å; E936-C939 VanDerWaalsContact O-N 3.17Å; C939-T941 VanDerWaalsContact C-N 3.32Å; C939-T941 PolarHBondContact O-N 3.3Å; C939-Q942 PolarHBondContact O-N 3.02Å; C939-C943 WeakPolarHBondContact O-CB 3.31Å; C939-C943 PolarHBondContact O-N 3.03Å
940	I	86.4	Confident	77.7	Confident	42 Å²	42	77.8 Å²	77.8	22%	0.215	38%	0.378	C	S	.	.	H	α-helix	trans	-64	-41.9	-179.7	-65.2	174.2	0	0	0	110.1	C918 E936 Q942 V944 Y945	C918-I940 HydrophobicContact CB-CG1 4.05Å; C918-I940 PolarHBondContact SG-N 3.04Å; E936-I940 HydrophobicContact CG-CD1 3.69Å; E936-I940 HydrophobicContact CG-CG1 4.19Å; E936-I940 VanDerWaalsContact O-CG1 3.29Å; E936-I940 WeakPolarHBondContact O-CG1 3.14Å; E936-I940 PolarHBondContact O-N 3.1Å; I940-Q942 VanDerWaalsContact C-N 3.31Å; I940-Q942 PolarHBondContact O-N 3.2Å; I940-V944 HydrophobicContact CB-CB 4.47Å; I940-V944 HydrophobicContact CB-CG2 4.34Å; I940-V944 HydrophobicContact CG1-CG2 4.34Å; I940-V944 HydrophobicContact CG2-CB 3.85Å; I940-V944 HydrophobicContact CG2-CG1 4.34Å; I940-V944 HydrophobicContact CG2-CG2 4.14Å; I940-V944 WeakPolarHBondContact O-CB 3.36Å; I940-V944 PolarHBondContact O-N 3.36Å; I940-Y945 HydrophobicContact CB-CE2 4.49Å; I940-Y945 HydrophobicContact CG2-CD2 3.69Å; I940-Y945 HydrophobicContact CG2-CE2 3.3Å; I940-Y945 PolarHBondContact O-N 2.97Å
941	T	84.7	Confident	75	Confident	76 Å²	76	81.5 Å²	81.5	47%	0.466	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-38	178.7	-53.5	0	0	0	0	111.7	K937 E938 C939	K937-T941 VanDerWaalsContact O-CB 3.22Å; K937-T941 WeakPolarHBondContact O-CB 3.41Å; K937-T941 PolarHBondContact O-N 3.01Å; K937-T941 PolarHBondContact O-OG1 2.94Å; E938-T941 PolarHBondContact O-N 3.43Å; C939-T941 VanDerWaalsContact C-N 3.32Å; C939-T941 PolarHBondContact O-N 3.3Å
942	Q	86.2	Confident	72.2	Confident	45 Å²	45	89.5 Å²	89.5	21%	0.21	44%	0.443	C	S	.	.	H	α-helix	trans	-84.8	-32.9	-178.4	-68.1	-169.2	35.6	0	0	113.5	L886 R889 F933 E938 C939 I940	L886-Q942 HydrophobicContact CD2-CB 4.21Å; L886-Q942 HydrophobicContact CD2-CG 4.41Å; R889-Q942 VanDerWaalsContact NH1-OE1 3.1Å; F933-Q942 HydrophobicContact CE1-CB 3.87Å; F933-Q942 HydrophobicContact CE1-CG 4.29Å; F933-Q942 HydrophobicContact CZ-CB 4.31Å; E938-Q942 WeakPolarHBondContact O-CB 3.4Å; E938-Q942 WeakPolarHBondContact O-CG 3.5Å; E938-Q942 PolarHBondContact O-N 3.01Å; E938-Q942 PolarHBondContact OE1-NE2 3.04Å; C939-Q942 PolarHBondContact O-N 3.02Å; I940-Q942 VanDerWaalsContact C-N 3.31Å; I940-Q942 PolarHBondContact O-N 3.2Å
943	C	88.2	Confident	69.3	Low	6 Å²	6	92.5 Å²	92.5	4%	0.041	47%	0.467	C	S	.	.	H	α-helix	trans	-115.1	-27.8	-169.6	-56.9	0	0	0	0	116.1	C890 Y911 F933 C939	C890-C943 HydrophobicContact CB-CB 3.66Å; C890-C943 WeakPolarHBondContact CB-SG 3.09Å; C890-C943 WeakPolarHBondContact SG-CA 3.37Å; C890-C943 WeakPolarHBondContact SG-CB 3.49Å; C890-C943 CovalentContact SG-SG 2.03Å; C890-C943 PolarHBondContact SG-SG 3.24Å; Y911-C943 VanDerWaalsContact CB-SG 3.51Å; Y911-C943 HydrophobicContact CD1-CB 3.77Å; Y911-C943 HydrophobicContact CD2-CB 3.54Å; Y911-C943 HydrophobicContact CE1-CB 4.24Å; Y911-C943 HydrophobicContact CE2-CB 4.09Å; Y911-C943 HydrophobicContact CG-CB 3.34Å; F933-C943 VanDerWaalsContact CE2-SG 3.52Å; F933-C943 WeakPolarHBondContact CZ-SG 3.42Å; C939-C943 WeakPolarHBondContact O-CB 3.31Å; C939-C943 PolarHBondContact O-N 3.03Å
944	V	81.2	Confident	66.4	Low	34 Å²	34	99.4 Å²	99.4	21%	0.206	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-50.2	-174.6	178.4	0	0	0	0	111.8	Y911 I940 R946 D947	Y911-V944 HydrophobicContact CD2-CG2 4.1Å; Y911-V944 HydrophobicContact CE2-CG2 3.54Å; I940-V944 HydrophobicContact CB-CB 4.47Å; I940-V944 HydrophobicContact CB-CG2 4.34Å; I940-V944 HydrophobicContact CG1-CG2 4.34Å; I940-V944 HydrophobicContact CG2-CB 3.85Å; I940-V944 HydrophobicContact CG2-CG1 4.34Å; I940-V944 HydrophobicContact CG2-CG2 4.14Å; I940-V944 WeakPolarHBondContact O-CB 3.36Å; I940-V944 PolarHBondContact O-N 3.36Å; V944-R946 PolarHBondContact O-N 3.23Å; V944-R946 VanDerWaalsContact O-N 3.11Å; V944-D947 PolarHBondContact O-N 2.7Å
945	Y	71.7	Confident	64	Low	157 Å²	157	97 Å²	97	62%	0.616	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-9	-170.1	-74.5	-60.2	0	0	0	115	I940	I940-Y945 HydrophobicContact CB-CE2 4.49Å; I940-Y945 HydrophobicContact CG2-CD2 3.69Å; I940-Y945 HydrophobicContact CG2-CE2 3.3Å; I940-Y945 PolarHBondContact O-N 2.97Å
946	R	58.6	Low	61.3	Low	126 Å²	126	101.4 Å²	101.4	48%	0.475	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-27.8	178.9	-81.1	-171.8	170.7	175.1	-1.9	114.5	V944 N948 T949	V944-R946 PolarHBondContact O-N 3.23Å; V944-R946 VanDerWaalsContact O-N 3.11Å; R946-N948 PolarHBondContact O-N 3.07Å; R946-T949 PolarHBondContact O-N 3.09Å; R946-T949 PolarHBondContact O-OG1 3.46Å
947	D	51.2	Low	58.4	Low	82 Å²	82	104 Å²	104	44%	0.439	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-69.9	-17.5	-179.6	-89.4	-14.1	0	0	0	113.3	V944 T949	V944-D947 PolarHBondContact O-N 2.7Å; D947-T949 VanDerWaalsContact C-N 3.34Å; D947-T949 PolarHBondContact O-N 3.44Å
948	N	43.3	Very low	55.8	Low	140 Å²	140	104.9 Å²	104.9	75%	0.749	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-84.8	4.6	178.8	-73.9	-14.7	0	0	0	114.9	R946	R946-N948 PolarHBondContact O-N 3.07Å
949	T	39.7	Very low	53	Low	111 Å²	111	110 Å²	110	68%	0.681	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-110	9.2	-170.6	56.2	0	0	0	0	116.2	R946 D947	R946-T949 PolarHBondContact O-N 3.09Å; R946-T949 PolarHBondContact O-OG1 3.46Å; D947-T949 VanDerWaalsContact C-N 3.34Å; D947-T949 PolarHBondContact O-N 3.44Å
950	T	35.4	Very low	50.2	Low	101 Å²	101	117.5 Å²	117.5	62%	0.62	61%	0.611	S	S	*	*	S	Bend	trans	-123.4	14.2	-170.4	45.7	0	0	0	0	116.5
951	N	31.7	Very low	47.5	Very low	156 Å²	156	118.7 Å²	118.7	83%	0.834	63%	0.634	S	S	*	*	S	Bend	trans	-131.6	18.1	-174.8	-94.7	-10.5	0	0	0	118.1
952	D	33.7	Very low	45	Very low	169 Å²	169	122.8 Å²	122.8	90%	0.904	65%	0.651	S	S	*	*			trans	-129.1	109.1	167.8	-93.3	-33.8	0	0	0	111.3
953	S	31.3	Very low	42.2	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	68%	0.677	S	S	*	*			trans	-86.7	140.2	162.2	-43.4	0	0	0	0	107.2
954	D	32.1	Very low	39.3	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	71%	0.711	S	S	*	*			trans	66.8	90.2	166.2	-52	-30.7	0	0	0	116.6
955	Q	39	Very low	36.7	Very low	174 Å²	174	140 Å²	140	81%	0.813	73%	0.734	S	S	*	*				171.1	125.9	112.8	-91.2	171.8	44.6	0	0	113.7
956	L	33.2	Very low	34.6	Very low	142 Å²	142	137.5 Å²	137.5	74%	0.743	74%	0.739	S	S	*	*			trans	71.6	97.1	137.8	-68.6	156.3	0	0	0	119.6
957	N	27.4	Very low	33.1	Very low	144 Å²	144	139 Å²	139	77%	0.77	76%	0.756	S	S	*	*				2.6	126.9	129.6	-69.2	-51.7	0	0	0	116.3
958	L	33.1	Very low	32.1	Very low	180 Å²	180	142.4 Å²	142.4	94%	0.942	77%	0.773	S	S	*	*				-154.8	131.3	122.6	-123.1	107.9	0	0	0	111.2
959	K	32.5	Very low	31.3	Very low	175 Å²	175	143 Å²	143	76%	0.761	78%	0.777	S	S	*	*			trans	-68.9	164.6	179.8	-63.4	171.6	170.5	175.6	0	111.7
960	N	33.1	Very low	30.8	Very low	159 Å²	159	144.8 Å²	144.8	85%	0.85	78%	0.782	S	S	*	*			trans	93.1	109.9	154.2	-55.9	-22.3	0	0	0	117.3
961	G	29.9	Very low	30.4	Very low	67 Å²	67	145.1 Å²	145.1	69%	0.691	78%	0.784	S	S	*	*				99.8	114.9	107.4	0	0	0	0	0	118.4
962	I	32.5	Very low	30.3	Very low	162 Å²	162	144.4 Å²	144.4	83%	0.831	78%	0.78	S	S	*	*			trans	80.7	103.3	133.6	-53.4	171.6	0	0	0	117.7
963	Q	27.6	Very low	30.2	Very low	162 Å²	162	142.4 Å²	142.4	76%	0.757	77%	0.769	S	S	*	*				29.6	143.1	127.8	-61	-171.8	-3.9	0	0	121.8
964	K	27.7	Very low	30.1	Very low	174 Å²	174	143.9 Å²	143.9	76%	0.757	76%	0.763	S	S	*	*			trans	94.9	105.5	139.1	-99	-177.1	175.4	177.7	0	118.3
965	T	25.7	Very low	30	Very low	111 Å²	111	144.3 Å²	144.3	68%	0.681	75%	0.753	S	S	*	*				78.4	122.7	122	51.8	0	0	0	0	120.6
966	S	26.7	Very low	29.7	Very low	103 Å²	103	139 Å²	139	72%	0.72	73%	0.73	S	S	*	*				69.7	76.5	129.7	68.5	0	0	0	0	118.8
967	L	28.5	Very low	29.8	Very low	159 Å²	159	141 Å²	141	83%	0.832	74%	0.736	S	S	*	*			trans	-159.8	127.2	154.1	-71.1	177.9	0	0	0	104.6
968	L	30.9	Very low	30.2	Very low	153 Å²	153	139.2 Å²	139.2	80%	0.801	72%	0.724	S	S	*	*			cis	-155.1	136.4	8.8	-87.6	132.2	0	0	0	107.8
969	N	25	Very low	30.6	Very low	153 Å²	153	132.5 Å²	132.5	82%	0.818	69%	0.691	S	S	*	*			trans	-42.3	129.3	153.6	-73.5	-29.7	0	0	0	113.2
970	N	29.2	Very low	31.4	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	70%	0.7	S	S	*	*			trans	-176.9	93	140	-98.8	-16.2	0	0	0	107.6
971	T	27.6	Very low	32.4	Very low	109 Å²	109	132 Å²	132	67%	0.669	69%	0.686	S	S	*	*				53.9	125.3	97.2	60.5	0	0	0	0	114.2
972	N	29.4	Very low	33.9	Very low	140 Å²	140	129 Å²	129	75%	0.749	66%	0.655	S	S	*	*			trans	99.7	119.5	173.1	-52.2	-5.6	0	0	0	112.4
973	D	32.3	Very low	35.4	Very low	127 Å²	127	129.9 Å²	129.9	68%	0.679	65%	0.648	S	S	*	*			cis	-159.7	144	6.4	-100.8	-38.8	0	0	0	111.7
974	K	29.3	Very low	37.5	Very low	135 Å²	135	123.4 Å²	123.4	59%	0.587	62%	0.616	S	S	*	*			trans	-49.5	120.7	171.3	-84.5	155.5	161.7	176	0	114.9	I976	K974-I976 HydrophobicContact CB-CD1 3.57Å; K974-I976 HydrophobicContact CB-CG1 3.73Å; K974-I976 HydrophobicContact CD-CD1 3.86Å; K974-I976 HydrophobicContact CG-CD1 3.74Å; K974-I976 HydrophobicContact CG-CG1 3.9Å
975	W	29.9	Very low	39.9	Very low	154 Å²	154	117.2 Å²	117.2	58%	0.583	59%	0.593	S	S	*	*			trans	-119.8	97	150.1	-59.6	78.5	0	0	0	107.6	L1020 P1021 E1022	W975-L1020 HydrophobicContact CH2-CB 3.35Å; W975-L1020 WeakPolarHBondContact CH2-O 3.3Å; W975-L1020 HydrophobicContact CZ2-CB 3.66Å; W975-L1020 HydrophobicContact CZ3-CB 3.89Å; W975-L1020 WeakPolarHBondContact CZ3-O 3.01Å; W975-P1021 VanDerWaalsContact CE3-C 3.44Å; W975-P1021 HydrophobicContact CE3-CB 4.5Å; W975-P1021 VanDerWaalsContact CE3-N 3.3Å; W975-E1022 HydrophobicContact CE3-CB 4.46Å; W975-E1022 VanDerWaalsContact CE3-N 3.29Å; W975-E1022 HydrophobicContact CZ3-CB 4.27Å
976	I	32.4	Very low	42	Very low	64 Å²	64	120.1 Å²	120.1	33%	0.328	60%	0.599	S	S	.	*			trans	-84.9	152.1	-162.7	-70.3	152.4	0	0	0	110	K974 M978 K1018 T1019	K974-I976 HydrophobicContact CB-CD1 3.57Å; K974-I976 HydrophobicContact CB-CG1 3.73Å; K974-I976 HydrophobicContact CD-CD1 3.86Å; K974-I976 HydrophobicContact CG-CD1 3.74Å; K974-I976 HydrophobicContact CG-CG1 3.9Å; I976-M978 PolarHBondContact O-N 2.62Å; I976-M978 VanDerWaalsContact O-N 3.13Å; I976-K1018 HydrophobicContact CD1-CB 4.38Å; I976-K1018 WeakPolarHBondContact CD1-O 3.38Å; I976-T1019 HydrophobicContact CB-CG2 3.25Å; I976-T1019 HydrophobicContact CD1-CG2 3.43Å; I976-T1019 VanDerWaalsContact CD1-CG2 3.43Å; I976-T1019 HydrophobicContact CG1-CG2 3.93Å; I976-T1019 HydrophobicContact CG2-CG2 3.21Å
977	Q	34.4	Very low	44.7	Very low	183 Å²	183	117.9 Å²	117.9	86%	0.855	58%	0.575	S	S	*	*			trans	-41.2	116.4	164.6	-73.7	177.4	-40.8	0	0	110.6	P979	Q977-P979 WeakPolarHBondContact O-CD 3.04Å; Q977-P979 VanDerWaalsContact O-N 3.11Å
978	M	35.6	Very low	47.3	Very low	106 Å²	106	113.7 Å²	113.7	52%	0.522	56%	0.556	S	S	.	*			trans	-60.3	115.6	-177.4	-122.9	165	69.4	0	0	109.2	I976 Y984	I976-M978 PolarHBondContact O-N 2.62Å; I976-M978 VanDerWaalsContact O-N 3.13Å; M978-Y984 HydrophobicContact CE-CD2 4.17Å; M978-Y984 HydrophobicContact CE-CE2 4.34Å; M978-Y984 HydrophobicContact CG-CE2 4.31Å; M978-Y984 HydrophobicContact SD-CD2 4.07Å; M978-Y984 HydrophobicContact SD-CE2 3.91Å
979	P	42.8	Very low	49.7	Very low	39 Å²	39	113.6 Å²	113.6	25%	0.253	56%	0.556	S	S	.	*			trans	-60.9	140.6	167.7	-14.8	29.6	0	0	0	107.7	Q977 E981 C982	Q977-P979 WeakPolarHBondContact O-CD 3.04Å; Q977-P979 VanDerWaalsContact O-N 3.11Å; P979-E981 PolarHBondContact O-N 3.35Å; P979-C982 PolarHBondContact O-N 2.98Å
980	Q	49.7	Very low	52.7	Low	204 Å²	204	109.9 Å²	109.9	95%	0.953	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-10.7	177.3	-87.3	-179.7	-26.7	0	0	114
981	E	52.7	Low	55.4	Low	120 Å²	120	105.2 Å²	105.2	56%	0.561	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.1	-174.9	-64.2	168.5	-173.1	0	0	114.8	P979 S1010	P979-E981 PolarHBondContact O-N 3.35Å; E981-S1010 PolarHBondContact O-OG 3.03Å; E981-S1010 VanDerWaalsContact O-OG 3.07Å
982	C	61.2	Low	58.1	Low	5 Å²	5	105.1 Å²	105.1	3%	0.034	51%	0.514	C	S	.	.			trans	-103.7	103.5	179.9	-49.4	0	0	0	0	111.5	P979 Y984 C1016	P979-C982 PolarHBondContact O-N 2.98Å; C982-Y984 HydrophobicContact CB-CE2 3.79Å; C982-Y984 WeakPolarHBondContact O-CD2 3.04Å; C982-Y984 WeakPolarHBondContact O-CE2 3.37Å; C982-C1016 HydrophobicContact CB-CB 4.18Å; C982-C1016 WeakPolarHBondContact CB-SG 3.42Å; C982-C1016 WeakPolarHBondContact SG-CA 3.17Å; C982-C1016 WeakPolarHBondContact SG-CB 3.46Å; C982-C1016 CovalentContact SG-SG 2.05Å; C982-C1016 PolarHBondContact SG-SG 3.34Å
983	R	63.8	Low	61	Low	180 Å²	180	99.3 Å²	99.3	68%	0.679	48%	0.484	S	S	*	.			trans	-90.4	144	175.4	-67.1	-174.2	175.1	-166	-1.3	111.4	I1009 S1010	R983-I1009 HydrophobicContact CB-CB 3.79Å; R983-I1009 HydrophobicContact CB-CG2 4.01Å; R983-I1009 PolarHBondContact O-N 2.95Å; R983-S1010 PolarHBondContact N-OG 2.86Å; R983-S1010 PolarHBondContact O-N 3.4Å
984	Y	73.4	Confident	63.7	Low	25 Å²	25	97.3 Å²	97.3	10%	0.098	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-130.3	156.9	177.5	-61.1	-93.2	0	0	0	109.9	M978 C982 E1007 R1008 I1009 P1021 L1023	M978-Y984 HydrophobicContact CE-CD2 4.17Å; M978-Y984 HydrophobicContact CE-CE2 4.34Å; M978-Y984 HydrophobicContact CG-CE2 4.31Å; M978-Y984 HydrophobicContact SD-CD2 4.07Å; M978-Y984 HydrophobicContact SD-CE2 3.91Å; C982-Y984 HydrophobicContact CB-CE2 3.79Å; C982-Y984 WeakPolarHBondContact O-CD2 3.04Å; C982-Y984 WeakPolarHBondContact O-CE2 3.37Å; Y984-E1007 CarbonylContact C-O 3.57Å; Y984-E1007 WeakPolarHBondContact CA-O 3.49Å; Y984-E1007 WeakPolarHBondContact CB-O 3.44Å; Y984-R1008 HydrophobicContact CD1-CG 3.65Å; Y984-R1008 HydrophobicContact CE1-CB 4.5Å; Y984-R1008 HydrophobicContact CE1-CG 3.29Å; Y984-I1009 VanDerWaalsContact O-CD1 3.23Å; Y984-I1009 WeakPolarHBondContact O-CD1 3.4Å; Y984-P1021 HydrophobicContact CE1-CB 4.4Å; Y984-P1021 HydrophobicContact CE1-CG 3.6Å; Y984-P1021 HydrophobicContact CE2-CG 3.77Å; Y984-P1021 WeakPolarHBondContact OH-CG 3.23Å; Y984-L1023 HydrophobicContact CD1-CD2 3.95Å; Y984-L1023 HydrophobicContact CE1-CD2 4.05Å
985	T	77.6	Confident	66.3	Low	44 Å²	44	93 Å²	93	27%	0.27	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-66.9	163.4	172.2	69.5	0	0	0	0	110.6	E1007 I1009	T985-E1007 HydrophobicContact CG2-CB 3.83Å; T985-E1007 PolarHBondContact N-O 2.93Å; T985-E1007 PolarHBondContact OG1-N 2.67Å; T985-I1009 HydrophobicContact CG2-CD1 4.04Å; T985-I1009 HydrophobicContact CG2-CG1 3.66Å
986	Q	70	Confident	68.7	Low	173 Å²	173	92.2 Å²	92.2	81%	0.808	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-56.7	149.8	160.2	-65.4	-63.9	-21.8	0	0	109
987	W	82.9	Confident	71	Confident	56 Å²	56	91.1 Å²	91.1	21%	0.212	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-62.4	142.6	169.9	-70.7	100.7	0	0	0	110	R1004 V1005 R1006 E1022 Q1025	W987-R1004 HydrophobicContact CD2-CG 4.26Å; W987-R1004 HydrophobicContact CE3-CB 4.42Å; W987-R1004 HydrophobicContact CE3-CG 3.72Å; W987-R1004 HydrophobicContact CZ3-CG 4.28Å; W987-V1005 CarbonylContact C-O 3.59Å; W987-V1005 WeakPolarHBondContact CA-O 3.46Å; W987-R1006 HydrophobicContact CD2-CB 3.99Å; W987-R1006 HydrophobicContact CD2-CG 3.95Å; W987-R1006 VanDerWaalsContact CE2-CD 3.49Å; W987-R1006 HydrophobicContact CE3-CB 3.88Å; W987-R1006 HydrophobicContact CE3-CG 3.85Å; W987-R1006 HydrophobicContact CG-CB 4.39Å; W987-R1006 HydrophobicContact CH2-CG 3.94Å; W987-R1006 HydrophobicContact CZ2-CG 4.04Å; W987-R1006 VanDerWaalsContact CZ2-NE 3.25Å; W987-R1006 HydrophobicContact CZ3-CB 4.32Å; W987-R1006 HydrophobicContact CZ3-CG 3.85Å; W987-E1022 WeakPolarHBondContact CH2-O 3.34Å; W987-E1022 WeakPolarHBondContact CZ2-O 3.36Å; W987-Q1025 HydrophobicContact CH2-CB 4.04Å; W987-Q1025 HydrophobicContact CH2-CG 3.51Å; W987-Q1025 VanDerWaalsContact CZ2-CD 3.48Å; W987-Q1025 HydrophobicContact CZ2-CG 3.88Å; W987-Q1025 HydrophobicContact CZ3-CB 4.04Å; W987-Q1025 HydrophobicContact CZ3-CG 4.04Å
988	T	83.1	Confident	73.2	Confident	70 Å²	70	83 Å²	83	43%	0.429	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-62.8	164.3	166.7	64.5	0	0	0	0	110.2	R1004 V1005	T988-R1004 WeakPolarHBondContact O-CB 3.23Å; T988-V1005 HydrophobicContact CG2-CG2 3.65Å; T988-V1005 WeakPolarHBondContact CG2-O 3.34Å; T988-V1005 PolarHBondContact N-O 3.04Å; T988-V1005 PolarHBondContact OG1-N 2.93Å; T988-V1005 PolarHBondContact OG1-O 2.63Å
989	N	82	Confident	75.4	Confident	151 Å²	151	85.1 Å²	85.1	81%	0.807	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-56.2	151.9	165	-69.4	-22.7	0	0	0	110.5
990	W	86.9	Confident	77.5	Confident	75 Å²	75	83.5 Å²	83.5	28%	0.284	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-62.1	136.3	170.2	-71.8	110.2	0	0	0	110.1	Q1002 R1004 Q1025 M1027	W990-Q1002 HydrophobicContact CB-CB 4.14Å; W990-Q1002 HydrophobicContact CD2-CB 4.48Å; W990-Q1002 HydrophobicContact CE3-CB 3.99Å; W990-Q1002 WeakPolarHBondContact CZ3-O 3.11Å; W990-R1004 HydrophobicContact CD2-CB 4.07Å; W990-R1004 HydrophobicContact CD2-CG 4.01Å; W990-R1004 HydrophobicContact CE3-CB 3.85Å; W990-R1004 HydrophobicContact CE3-CG 3.79Å; W990-R1004 HydrophobicContact CH2-CG 3.81Å; W990-R1004 HydrophobicContact CZ2-CG 4.02Å; W990-R1004 HydrophobicContact CZ3-CB 4.21Å; W990-R1004 HydrophobicContact CZ3-CG 3.69Å; W990-Q1025 HydrophobicContact CH2-CB 4Å; W990-Q1025 HydrophobicContact CZ3-CB 4.37Å; W990-Q1025 WeakPolarHBondContact CZ3-O 3.04Å; W990-M1027 HydrophobicContact CD2-CE 4.24Å; W990-M1027 HydrophobicContact CE3-CB 4.42Å; W990-M1027 HydrophobicContact CH2-CB 3.56Å; W990-M1027 HydrophobicContact CZ2-CB 4.03Å; W990-M1027 HydrophobicContact CZ2-CE 4.07Å; W990-M1027 HydrophobicContact CZ2-SD 4.26Å; W990-M1027 HydrophobicContact CZ3-CB 3.78Å
991	S	86	Confident	79.3	Confident	50 Å²	50	77.3 Å²	77.3	35%	0.35	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-61.4	164.7	172.1	72.5	0	0	0	0	110.9	Q1002 T1003	S991-Q1002 WeakPolarHBondContact O-CB 2.99Å; S991-Q1002 VanDerWaalsContact O-CD 3.27Å; S991-Q1002 WeakPolarHBondContact O-CG 3.46Å; S991-Q1002 PolarHBondContact O-NE2 2.91Å; S991-T1003 WeakPolarHBondContact CB-O 3.49Å; S991-T1003 PolarHBondContact N-O 3.19Å; S991-T1003 PolarHBondContact OG-N 3.44Å
992	S	85.2	Confident	81.1	Confident	106 Å²	106	74.1 Å²	74.1	74%	0.741	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-51.2	150.7	162.5	-53	0	0	0	0	110.6	S994	S992-S994 PolarHBondContact O-N 3.05Å
993	C	89	Confident	82.3	Confident	19 Å²	19	75.4 Å²	75.4	13%	0.128	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-55.8	135.6	173.3	-165.2	0	0	0	0	109	T995 Q1002 C1029 L1031	C993-T995 CarbonylContact C-O 3.57Å; C993-T995 WeakPolarHBondContact CB-O 3.24Å; C993-T995 PolarHBondContact O-N 3.09Å; C993-T995 VanDerWaalsContact O-N 3.09Å; C993-Q1002 HydrophobicContact CB-CG 4.22Å; C993-C1029 WeakPolarHBondContact CA-SG 3.11Å; C993-C1029 HydrophobicContact CB-CB 3.93Å; C993-C1029 WeakPolarHBondContact CB-SG 3.34Å; C993-C1029 WeakPolarHBondContact SG-CB 3.48Å; C993-C1029 CovalentContact SG-SG 2.02Å; C993-C1029 PolarHBondContact SG-SG 2.81Å; C993-L1031 HydrophobicContact CB-CD1 3.87Å; C993-L1031 HydrophobicContact CB-CD2 4.42Å; C993-L1031 HydrophobicContact CB-CG 4.11Å
994	S	89	Confident	83.6	Confident	84 Å²	84	69.6 Å²	69.6	59%	0.587	38%	0.383	S	S	*	.	S	Bend	trans	-63.5	-15.2	-178.4	68	0	0	0	0	113.2	S992 G1000 I1001	S992-S994 PolarHBondContact O-N 3.05Å; S994-G1000 WeakPolarHBondContact OG-CA 3.47Å; S994-I1001 VanDerWaalsContact CB-O 3.28Å; S994-I1001 WeakPolarHBondContact CB-O 3.47Å; S994-I1001 PolarHBondContact N-O 3.22Å; S994-I1001 PolarHBondContact OG-N 2.71Å
995	T	83.7	Confident	84.2	Confident	45 Å²	45	71.5 Å²	71.5	28%	0.276	40%	0.398	S	S	.	.	S	Bend	trans	-115.5	155.5	172.5	61.4	0	0	0	0	110	C993 C997 Q999 G1000 L1031	C993-T995 CarbonylContact C-O 3.57Å; C993-T995 WeakPolarHBondContact CB-O 3.24Å; C993-T995 PolarHBondContact O-N 3.09Å; C993-T995 VanDerWaalsContact O-N 3.09Å; T995-C997 WeakPolarHBondContact CB-O 3.22Å; T995-C997 PolarHBondContact OG1-O 3.04Å; T995-Q999 VanDerWaalsContact CG2-O 3.24Å; T995-Q999 WeakPolarHBondContact CG2-O 3.46Å; T995-Q999 PolarHBondContact OG1-O 3.49Å; T995-G1000 VanDerWaalsContact OG1-CA 3.32Å; T995-G1000 WeakPolarHBondContact OG1-CA 3.08Å; T995-G1000 PolarHBondContact OG1-N 2.73Å; T995-L1031 WeakPolarHBondContact O-CD1 3.47Å
996	T	81.9	Confident	84.7	Confident	138 Å²	138	71.6 Å²	71.6	85%	0.847	39%	0.393	S	S	*	.	S	Bend	trans	-92.1	-15	176.1	48.2	0	0	0	0	113.1	L1031	T996-L1031 VanDerWaalsContact C-CD1 3.43Å; T996-L1031 WeakPolarHBondContact O-CD1 3.33Å
997	C	79.2	Confident	85	Confident	40 Å²	40	70 Å²	70	27%	0.27	39%	0.386	S	S	.	.	S	Bend	trans	-147.1	166.1	172.7	59	0	0	0	0	108.7	T995 K1032 C1034	T995-C997 WeakPolarHBondContact CB-O 3.22Å; T995-C997 PolarHBondContact OG1-O 3.04Å; C997-K1032 CarbonylContact C-O 3.54Å; C997-K1032 WeakPolarHBondContact CA-O 3.46Å; C997-K1032 WeakPolarHBondContact CB-O 3.44Å; C997-C1034 HydrophobicContact CB-CB 3.9Å; C997-C1034 WeakPolarHBondContact CB-SG 3.15Å; C997-C1034 PolarHBondContact O-SG 3.18Å; C997-C1034 WeakPolarHBondContact SG-CA 3.35Å; C997-C1034 WeakPolarHBondContact SG-CB 3.24Å; C997-C1034 CovalentContact SG-SG 2.04Å; C997-C1034 PolarHBondContact SG-SG 3.49Å
998	G	81.3	Confident	84.6	Confident	14 Å²	14	72.5 Å²	72.5	14%	0.144	40%	0.395	C	S	.	.	S	Bend	trans	63.2	-150	177.9	0	0	0	0	0	113.6	L1031 K1032 C1034	G998-L1031 PolarHBondContact O-N 2.97Å; G998-K1032 PolarHBondContact N-O 2.75Å; G998-C1034 PolarHBondContact N-SG 2.75Å
999	Q	82	Confident	84	Confident	149 Å²	149	74.1 Å²	74.1	70%	0.696	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.1	-175.3	-152.2	170.9	21.3	0	0	110.7	T995 C1029 L1030	T995-Q999 VanDerWaalsContact CG2-O 3.24Å; T995-Q999 WeakPolarHBondContact CG2-O 3.46Å; T995-Q999 PolarHBondContact OG1-O 3.49Å; Q999-C1029 CarbonylContact C-O 3.57Å; Q999-C1029 WeakPolarHBondContact CA-O 3.42Å; Q999-L1030 HydrophobicContact CB-CD1 4.04Å; Q999-L1030 HydrophobicContact CG-CD1 4.03Å
1000	G	87.5	Confident	82.9	Confident	6 Å²	6	69.3 Å²	69.3	6%	0.062	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-170	177.5	0	0	0	0	0	112.1	S994 T995 S1028 C1029	S994-G1000 WeakPolarHBondContact OG-CA 3.47Å; T995-G1000 VanDerWaalsContact OG1-CA 3.32Å; T995-G1000 WeakPolarHBondContact OG1-CA 3.08Å; T995-G1000 PolarHBondContact OG1-N 2.73Å; G1000-S1028 CarbonylContact O-C 3.53Å; G1000-S1028 VanDerWaalsContact O-CA 3.31Å; G1000-S1028 WeakPolarHBondContact O-CA 3.23Å; G1000-C1029 PolarHBondContact N-O 2.99Å; G1000-C1029 PolarHBondContact O-N 3.13Å; G1000-C1029 PolarHBondContact O-SG 3.21Å
1001	I	87.6	Confident	81.3	Confident	74 Å²	74	70.8 Å²	70.8	38%	0.379	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.5	-178	-58.8	174.8	0	0	0	109.5	S994 Q1026 M1027 C1029	S994-I1001 VanDerWaalsContact CB-O 3.28Å; S994-I1001 WeakPolarHBondContact CB-O 3.47Å; S994-I1001 PolarHBondContact N-O 3.22Å; S994-I1001 PolarHBondContact OG-N 2.71Å; I1001-Q1026 HydrophobicContact CG2-CB 3.72Å; I1001-Q1026 HydrophobicContact CG2-CG 4.06Å; I1001-M1027 CarbonylContact C-O 3.59Å; I1001-M1027 WeakPolarHBondContact CA-O 3.26Å; I1001-C1029 PolarHBondContact N-SG 3.2Å
1002	Q	89.3	Confident	79.7	Confident	52 Å²	52	78.6 Å²	78.6	24%	0.243	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.9	165.2	-63	-174.7	-62.5	0	0	109.5	W990 S991 C993 Q1026 M1027 C1029	W990-Q1002 HydrophobicContact CB-CB 4.14Å; W990-Q1002 HydrophobicContact CD2-CB 4.48Å; W990-Q1002 HydrophobicContact CE3-CB 3.99Å; W990-Q1002 WeakPolarHBondContact CZ3-O 3.11Å; S991-Q1002 WeakPolarHBondContact O-CB 2.99Å; S991-Q1002 VanDerWaalsContact O-CD 3.27Å; S991-Q1002 WeakPolarHBondContact O-CG 3.46Å; S991-Q1002 PolarHBondContact O-NE2 2.91Å; C993-Q1002 HydrophobicContact CB-CG 4.22Å; Q1002-Q1026 CarbonylContact O-C 3.42Å; Q1002-Q1026 WeakPolarHBondContact O-CA 3.2Å; Q1002-M1027 PolarHBondContact N-O 3.09Å; Q1002-M1027 PolarHBondContact O-N 3.23Å; Q1002-C1029 HydrophobicContact CG-CB 3.97Å
1003	T	87.9	Confident	78.2	Confident	33 Å²	33	75.4 Å²	75.4	20%	0.202	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.3	-176.8	-56.3	0	0	0	0	110.6	S991 K1024 Q1025 Q1026	S991-T1003 WeakPolarHBondContact CB-O 3.49Å; S991-T1003 PolarHBondContact N-O 3.19Å; S991-T1003 PolarHBondContact OG-N 3.44Å; T1003-K1024 HydrophobicContact CG2-CD 4.2Å; T1003-K1024 HydrophobicContact CG2-CG 3.78Å; T1003-Q1025 CarbonylContact C-O 3.49Å; T1003-Q1025 VanDerWaalsContact CA-O 3.25Å; T1003-Q1025 WeakPolarHBondContact CA-O 3.34Å; T1003-Q1025 WeakPolarHBondContact CG2-O 3.42Å; T1003-Q1026 HydrophobicContact CG2-CG 4.17Å
1004	R	90.4	Very high	76.7	Confident	57 Å²	57	81.1 Å²	81.1	22%	0.215	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.5	169.2	66.6	179.5	-175.2	-176.5	-4	111.2	W987 T988 W990 K1024 Q1025	W987-R1004 HydrophobicContact CD2-CG 4.26Å; W987-R1004 HydrophobicContact CE3-CB 4.42Å; W987-R1004 HydrophobicContact CE3-CG 3.72Å; W987-R1004 HydrophobicContact CZ3-CG 4.28Å; T988-R1004 WeakPolarHBondContact O-CB 3.23Å; W990-R1004 HydrophobicContact CD2-CB 4.07Å; W990-R1004 HydrophobicContact CD2-CG 4.01Å; W990-R1004 HydrophobicContact CE3-CB 3.85Å; W990-R1004 HydrophobicContact CE3-CG 3.79Å; W990-R1004 HydrophobicContact CH2-CG 3.81Å; W990-R1004 HydrophobicContact CZ2-CG 4.02Å; W990-R1004 HydrophobicContact CZ3-CB 4.21Å; W990-R1004 HydrophobicContact CZ3-CG 3.69Å; R1004-K1024 CarbonylContact O-C 3.52Å; R1004-K1024 WeakPolarHBondContact O-CA 3.39Å; R1004-Q1025 HydrophobicContact CG-CB 3.86Å; R1004-Q1025 PolarHBondContact N-O 2.92Å; R1004-Q1025 PolarHBondContact O-N 3.45Å
1005	V	86.2	Confident	75.2	Confident	65 Å²	65	81.7 Å²	81.7	39%	0.394	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.6	-177.5	-70	0	0	0	0	112	W987 T988 L1023 K1024	W987-V1005 CarbonylContact C-O 3.59Å; W987-V1005 WeakPolarHBondContact CA-O 3.46Å; T988-V1005 HydrophobicContact CG2-CG2 3.65Å; T988-V1005 WeakPolarHBondContact CG2-O 3.34Å; T988-V1005 PolarHBondContact N-O 3.04Å; T988-V1005 PolarHBondContact OG1-N 2.93Å; T988-V1005 PolarHBondContact OG1-O 2.63Å; V1005-L1023 CarbonylContact C-O 3.53Å; V1005-L1023 WeakPolarHBondContact CA-O 3.16Å; V1005-K1024 HydrophobicContact CG1-CB 4.02Å; V1005-K1024 HydrophobicContact CG1-CG 3.89Å
1006	R	86.4	Confident	74	Confident	47 Å²	47	80.3 Å²	80.3	18%	0.177	42%	0.423	C	S	.	.			trans	-142.5	157.5	169.6	64.9	176.7	173.8	174.1	-0.5	109.6	W987 E1022 L1023	W987-R1006 HydrophobicContact CD2-CB 3.99Å; W987-R1006 HydrophobicContact CD2-CG 3.95Å; W987-R1006 VanDerWaalsContact CE2-CD 3.49Å; W987-R1006 HydrophobicContact CE3-CB 3.88Å; W987-R1006 HydrophobicContact CE3-CG 3.85Å; W987-R1006 HydrophobicContact CG-CB 4.39Å; W987-R1006 HydrophobicContact CH2-CG 3.94Å; W987-R1006 HydrophobicContact CZ2-CG 4.04Å; W987-R1006 VanDerWaalsContact CZ2-NE 3.25Å; W987-R1006 HydrophobicContact CZ3-CB 4.32Å; W987-R1006 HydrophobicContact CZ3-CG 3.85Å; R1006-E1022 PolarHBondContact NE-O 2.77Å; R1006-E1022 PolarHBondContact NH2-O 3.12Å; R1006-L1023 HydrophobicContact CG-CD2 4.39Å; R1006-L1023 PolarHBondContact N-O 3.18Å; R1006-L1023 WeakPolarHBondContact O-CD2 3.45Å
1007	E	77	Confident	72.8	Confident	140 Å²	140	80.5 Å²	80.5	65%	0.654	41%	0.414	S	S	*	.			trans	-113	171.9	-178.9	-59.9	-178.6	170.1	0	0	111.5	Y984 T985	Y984-E1007 CarbonylContact C-O 3.57Å; Y984-E1007 WeakPolarHBondContact CA-O 3.49Å; Y984-E1007 WeakPolarHBondContact CB-O 3.44Å; T985-E1007 HydrophobicContact CG2-CB 3.83Å; T985-E1007 PolarHBondContact N-O 2.93Å; T985-E1007 PolarHBondContact OG1-N 2.67Å
1008	R	75.3	Confident	71.8	Confident	107 Å²	107	86 Å²	86	40%	0.404	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-89	134.1	173.7	-82.9	175.9	-178.7	169.5	1.8	110.4	Y984	Y984-R1008 HydrophobicContact CD1-CG 3.65Å; Y984-R1008 HydrophobicContact CE1-CB 4.5Å; Y984-R1008 HydrophobicContact CE1-CG 3.29Å
1009	I	70.6	Confident	70.3	Confident	105 Å²	105	85.6 Å²	85.6	54%	0.538	43%	0.428	S	S	.	.			trans	-96.4	-32.3	178.4	-69.7	-178.8	0	0	0	113.2	R983 Y984 T985	R983-I1009 HydrophobicContact CB-CB 3.79Å; R983-I1009 HydrophobicContact CB-CG2 4.01Å; R983-I1009 PolarHBondContact O-N 2.95Å; Y984-I1009 VanDerWaalsContact O-CD1 3.23Å; Y984-I1009 WeakPolarHBondContact O-CD1 3.4Å; T985-I1009 HydrophobicContact CG2-CD1 4.04Å; T985-I1009 HydrophobicContact CG2-CG1 3.66Å
1010	S	59	Low	69.2	Low	49 Å²	49	83 Å²	83	34%	0.343	42%	0.419	S	S	.	.			trans	-117	145.4	-170.5	65.9	0	0	0	0	116.5	E981 R983	E981-S1010 PolarHBondContact O-OG 3.03Å; E981-S1010 VanDerWaalsContact O-OG 3.07Å; R983-S1010 PolarHBondContact N-OG 2.86Å; R983-S1010 PolarHBondContact O-N 3.4Å
1011	S	52.2	Low	67.8	Low	107 Å²	107	83.4 Å²	83.4	75%	0.748	42%	0.42	S	S	*	.			trans	-101.6	143.5	-165.9	53.4	0	0	0	0	114.6
1012	K	52.5	Low	66.9	Low	213 Å²	213	84.1 Å²	84.1	93%	0.926	42%	0.422	S	S	*	.			trans	73.1	22.6	156.1	-67.4	-172.1	178	-178.4	0	121.4
1013	S	54.1	Low	66.6	Low	40 Å²	40	84.9 Å²	84.9	28%	0.28	43%	0.428	S	S	.	.			trans	-101.8	119.9	165.4	164.8	0	0	0	0	110.9	N1015 C1016	S1013-N1015 PolarHBondContact O-N 3.43Å; S1013-N1015 PolarHBondContact OG-N 2.83Å; S1013-C1016 PolarHBondContact O-N 3.04Å; S1013-C1016 VanDerWaalsContact O-N 3.1Å
1014	D	56.7	Low	66.5	Low	138 Å²	138	88.9 Å²	88.9	74%	0.738	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-55.4	-19.6	176.4	-81.1	-20.8	0	0	0	112.9	C1016	D1014-C1016 PolarHBondContact O-N 2.88Å
1015	N	57.4	Low	66.2	Low	97 Å²	97	87.4 Å²	87.4	52%	0.519	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-75	-18.6	179.4	-74.4	-27.7	0	0	0	114	S1013 Q1017	S1013-N1015 PolarHBondContact O-N 3.43Å; S1013-N1015 PolarHBondContact OG-N 2.83Å; N1015-Q1017 VanDerWaalsContact C-N 3.29Å; N1015-Q1017 PolarHBondContact O-N 2.87Å
1016	C	58.9	Low	66.2	Low	16 Å²	16	90 Å²	90	11%	0.108	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-78	-8.1	179	-64.1	0	0	0	0	114.1	C982 S1013 D1014	C982-C1016 HydrophobicContact CB-CB 4.18Å; C982-C1016 WeakPolarHBondContact CB-SG 3.42Å; C982-C1016 WeakPolarHBondContact SG-CA 3.17Å; C982-C1016 WeakPolarHBondContact SG-CB 3.46Å; C982-C1016 CovalentContact SG-SG 2.05Å; C982-C1016 PolarHBondContact SG-SG 3.34Å; S1013-C1016 PolarHBondContact O-N 3.04Å; S1013-C1016 VanDerWaalsContact O-N 3.1Å; D1014-C1016 PolarHBondContact O-N 2.88Å
1017	Q	58.2	Low	65.9	Low	141 Å²	141	91.7 Å²	91.7	66%	0.659	46%	0.456	S	S	*	.	S	Bend	trans	-89.1	-26.4	-178.3	-77.7	-179.3	-7.9	0	0	114.2	N1015 T1019	N1015-Q1017 VanDerWaalsContact C-N 3.29Å; N1015-Q1017 PolarHBondContact O-N 2.87Å; Q1017-T1019 PolarHBondContact O-N 3.4Å
1018	K	56.7	Low	66	Low	157 Å²	157	89.3 Å²	89.3	68%	0.683	46%	0.455	S	S	*	.	S	Bend	trans	-73.6	-18.7	-178.3	-86.1	176	177.5	168.7	0	113.6	I976	I976-K1018 HydrophobicContact CD1-CB 4.38Å; I976-K1018 WeakPolarHBondContact CD1-O 3.38Å
1019	T	51.1	Low	66.3	Low	4 Å²	4	85 Å²	85	3%	0.025	44%	0.441	C	S	.	.	S	Bend	trans	-117.4	123.8	179.1	86.3	0	0	0	0	106	I976 Q1017 P1021	I976-T1019 HydrophobicContact CB-CG2 3.25Å; I976-T1019 HydrophobicContact CD1-CG2 3.43Å; I976-T1019 VanDerWaalsContact CD1-CG2 3.43Å; I976-T1019 HydrophobicContact CG1-CG2 3.93Å; I976-T1019 HydrophobicContact CG2-CG2 3.21Å; Q1017-T1019 PolarHBondContact O-N 3.4Å; T1019-P1021 WeakPolarHBondContact O-CD 3.41Å; T1019-P1021 WeakPolarHBondContact OG1-CD 3.33Å
1020	L	58.4	Low	66.7	Low	96 Å²	96	86.5 Å²	86.5	50%	0.503	45%	0.45	S	S	.	.			trans	-101.9	25	-171.9	-117	149.1	0	0	0	115.2	W975	W975-L1020 HydrophobicContact CH2-CB 3.35Å; W975-L1020 WeakPolarHBondContact CH2-O 3.3Å; W975-L1020 HydrophobicContact CZ2-CB 3.66Å; W975-L1020 HydrophobicContact CZ3-CB 3.89Å; W975-L1020 WeakPolarHBondContact CZ3-O 3.01Å
1021	P	57.2	Low	67.3	Low	14 Å²	14	87.6 Å²	87.6	9%	0.091	45%	0.451	C	S	.	.			trans	-25.9	134.1	-156.8	18.9	-34.2	0	0	0	118.3	W975 Y984 T1019 L1023	W975-P1021 VanDerWaalsContact CE3-C 3.44Å; W975-P1021 HydrophobicContact CE3-CB 4.5Å; W975-P1021 VanDerWaalsContact CE3-N 3.3Å; Y984-P1021 HydrophobicContact CE1-CB 4.4Å; Y984-P1021 HydrophobicContact CE1-CG 3.6Å; Y984-P1021 HydrophobicContact CE2-CG 3.77Å; Y984-P1021 WeakPolarHBondContact OH-CG 3.23Å; T1019-P1021 WeakPolarHBondContact O-CD 3.41Å; T1019-P1021 WeakPolarHBondContact OG1-CD 3.33Å; P1021-L1023 PolarHBondContact O-N 3.32Å; P1021-L1023 VanDerWaalsContact O-N 3.12Å
1022	E	69.3	Low	68	Low	88 Å²	88	91.7 Å²	91.7	41%	0.411	46%	0.455	S	S	.	.			trans	-57.1	119.9	-160.2	-172.1	-177	-161.3	0	0	109.3	W975 W987 R1006 K1024 Q1025	W975-E1022 HydrophobicContact CE3-CB 4.46Å; W975-E1022 VanDerWaalsContact CE3-N 3.29Å; W975-E1022 HydrophobicContact CZ3-CB 4.27Å; W987-E1022 WeakPolarHBondContact CH2-O 3.34Å; W987-E1022 WeakPolarHBondContact CZ2-O 3.36Å; R1006-E1022 PolarHBondContact NE-O 2.77Å; R1006-E1022 PolarHBondContact NH2-O 3.12Å; E1022-K1024 WeakPolarHBondContact CG-O 3.21Å; E1022-Q1025 HydrophobicContact CG-CG 4.28Å; E1022-Q1025 VanDerWaalsContact OE2-CG 3.31Å; E1022-Q1025 WeakPolarHBondContact OE2-CG 3.15Å; E1022-Q1025 PolarHBondContact OE2-NE2 2.92Å
1023	L	82.4	Confident	68.4	Low	69 Å²	69	85.7 Å²	85.7	36%	0.361	45%	0.445	S	S	.	.	S	Bend	trans	-92.8	-9.9	-178.9	-62.7	177.2	0	0	0	112.1	Y984 V1005 R1006 P1021	Y984-L1023 HydrophobicContact CD1-CD2 3.95Å; Y984-L1023 HydrophobicContact CE1-CD2 4.05Å; V1005-L1023 CarbonylContact C-O 3.53Å; V1005-L1023 WeakPolarHBondContact CA-O 3.16Å; R1006-L1023 HydrophobicContact CG-CD2 4.39Å; R1006-L1023 PolarHBondContact N-O 3.18Å; R1006-L1023 WeakPolarHBondContact O-CD2 3.45Å; P1021-L1023 PolarHBondContact O-N 3.32Å; P1021-L1023 VanDerWaalsContact O-N 3.12Å
1024	K	86.1	Confident	68.6	Low	116 Å²	116	90.4 Å²	90.4	50%	0.504	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	123.9	-177.2	-177.8	-178.4	-176.9	-174.6	0	109.8	T1003 R1004 V1005 E1022	T1003-K1024 HydrophobicContact CG2-CD 4.2Å; T1003-K1024 HydrophobicContact CG2-CG 3.78Å; R1004-K1024 CarbonylContact O-C 3.52Å; R1004-K1024 WeakPolarHBondContact O-CA 3.39Å; V1005-K1024 HydrophobicContact CG1-CB 4.02Å; V1005-K1024 HydrophobicContact CG1-CG 3.89Å; E1022-K1024 WeakPolarHBondContact CG-O 3.21Å
1025	Q	84.4	Confident	69.2	Low	26 Å²	26	88 Å²	88	12%	0.121	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.1	176.3	-86.3	-179.7	-12	0	0	111.6	W987 W990 T1003 R1004 E1022	W987-Q1025 HydrophobicContact CH2-CB 4.04Å; W987-Q1025 HydrophobicContact CH2-CG 3.51Å; W987-Q1025 VanDerWaalsContact CZ2-CD 3.48Å; W987-Q1025 HydrophobicContact CZ2-CG 3.88Å; W987-Q1025 HydrophobicContact CZ3-CB 4.04Å; W987-Q1025 HydrophobicContact CZ3-CG 4.04Å; W990-Q1025 HydrophobicContact CH2-CB 4Å; W990-Q1025 HydrophobicContact CZ3-CB 4.37Å; W990-Q1025 WeakPolarHBondContact CZ3-O 3.04Å; T1003-Q1025 CarbonylContact C-O 3.49Å; T1003-Q1025 VanDerWaalsContact CA-O 3.25Å; T1003-Q1025 WeakPolarHBondContact CA-O 3.34Å; T1003-Q1025 WeakPolarHBondContact CG2-O 3.42Å; R1004-Q1025 HydrophobicContact CG-CB 3.86Å; R1004-Q1025 PolarHBondContact N-O 2.92Å; R1004-Q1025 PolarHBondContact O-N 3.45Å; E1022-Q1025 HydrophobicContact CG-CG 4.28Å; E1022-Q1025 VanDerWaalsContact OE2-CG 3.31Å; E1022-Q1025 WeakPolarHBondContact OE2-CG 3.15Å; E1022-Q1025 PolarHBondContact OE2-NE2 2.92Å
1026	Q	87	Confident	69.8	Low	120 Å²	120	87.5 Å²	87.5	56%	0.561	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.4	177	-69.7	-171.4	-34.5	0	0	110.4	I1001 Q1002 T1003	I1001-Q1026 HydrophobicContact CG2-CB 3.72Å; I1001-Q1026 HydrophobicContact CG2-CG 4.06Å; Q1002-Q1026 CarbonylContact O-C 3.42Å; Q1002-Q1026 WeakPolarHBondContact O-CA 3.2Å; T1003-Q1026 HydrophobicContact CG2-CG 4.17Å
1027	M	80.5	Confident	70.4	Confident	83 Å²	83	91.5 Å²	91.5	41%	0.409	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.6	178.5	-179.9	172.7	67.4	0	0	110.2	W990 I1001 Q1002	W990-M1027 HydrophobicContact CD2-CE 4.24Å; W990-M1027 HydrophobicContact CE3-CB 4.42Å; W990-M1027 HydrophobicContact CH2-CB 3.56Å; W990-M1027 HydrophobicContact CZ2-CB 4.03Å; W990-M1027 HydrophobicContact CZ2-CE 4.07Å; W990-M1027 HydrophobicContact CZ2-SD 4.26Å; W990-M1027 HydrophobicContact CZ3-CB 3.78Å; I1001-M1027 CarbonylContact C-O 3.59Å; I1001-M1027 WeakPolarHBondContact CA-O 3.26Å; Q1002-M1027 PolarHBondContact N-O 3.09Å; Q1002-M1027 PolarHBondContact O-N 3.23Å
1028	S	78.1	Confident	71.1	Confident	90 Å²	90	88.6 Å²	88.6	63%	0.629	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	132.7	175.3	44.2	0	0	0	0	111.8	G1000	G1000-S1028 CarbonylContact O-C 3.53Å; G1000-S1028 VanDerWaalsContact O-CA 3.31Å; G1000-S1028 WeakPolarHBondContact O-CA 3.23Å
1029	C	81.5	Confident	72	Confident	15 Å²	15	84.3 Å²	84.3	10%	0.101	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.1	171.6	44.2	0	0	0	0	109.3	C993 Q999 G1000 I1001 Q1002	C993-C1029 WeakPolarHBondContact CA-SG 3.11Å; C993-C1029 HydrophobicContact CB-CB 3.93Å; C993-C1029 WeakPolarHBondContact CB-SG 3.34Å; C993-C1029 WeakPolarHBondContact SG-CB 3.48Å; C993-C1029 CovalentContact SG-SG 2.02Å; C993-C1029 PolarHBondContact SG-SG 2.81Å; Q999-C1029 CarbonylContact C-O 3.57Å; Q999-C1029 WeakPolarHBondContact CA-O 3.42Å; G1000-C1029 PolarHBondContact N-O 2.99Å; G1000-C1029 PolarHBondContact O-N 3.13Å; G1000-C1029 PolarHBondContact O-SG 3.21Å; I1001-C1029 PolarHBondContact N-SG 3.2Å; Q1002-C1029 HydrophobicContact CG-CB 3.97Å
1030	L	78.8	Confident	73.4	Confident	138 Å²	138	89.7 Å²	89.7	72%	0.723	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	104.2	175.2	-165.2	81.9	0	0	0	108.3	Q999	Q999-L1030 HydrophobicContact CB-CD1 4.04Å; Q999-L1030 HydrophobicContact CG-CD1 4.03Å
1031	L	72.1	Confident	74.5	Confident	71 Å²	71	89.2 Å²	89.2	37%	0.372	48%	0.484	S	S	.	.			trans	-83	174	170.8	-63.4	-177.7	0	0	0	109.9	C993 T995 T996 G998 A1033	C993-L1031 HydrophobicContact CB-CD1 3.87Å; C993-L1031 HydrophobicContact CB-CD2 4.42Å; C993-L1031 HydrophobicContact CB-CG 4.11Å; T995-L1031 WeakPolarHBondContact O-CD1 3.47Å; T996-L1031 VanDerWaalsContact C-CD1 3.43Å; T996-L1031 WeakPolarHBondContact O-CD1 3.33Å; G998-L1031 PolarHBondContact O-N 2.97Å; L1031-A1033 PolarHBondContact O-N 3.34Å
1032	K	66	Low	75.8	Confident	193 Å²	193	95 Å²	95	84%	0.839	52%	0.515	S	S	*	.	S	Bend	trans	-48.9	144.5	171.7	-72.1	-177.4	-179.7	176.9	0	109.4	C997 G998 C1034	C997-K1032 CarbonylContact C-O 3.54Å; C997-K1032 WeakPolarHBondContact CA-O 3.46Å; C997-K1032 WeakPolarHBondContact CB-O 3.44Å; G998-K1032 PolarHBondContact N-O 2.75Å; K1032-C1034 PolarHBondContact O-N 2.81Å
1033	A	61	Low	76.4	Confident	87 Å²	87	95.6 Å²	95.6	72%	0.719	52%	0.523	S	S	*	.			trans	-46.7	134.9	179.3	0	0	0	0	0	110.8	L1031	L1031-A1033 PolarHBondContact O-N 3.34Å
1034	C	58.8	Low	75.8	Confident	139 Å²	139	98 Å²	98	94%	0.939	54%	0.538	S	S	*	.			trans	-66	0	153.8	-57.2	0	0	0	0	107.1	C997 G998 K1032	C997-C1034 HydrophobicContact CB-CB 3.9Å; C997-C1034 WeakPolarHBondContact CB-SG 3.15Å; C997-C1034 PolarHBondContact O-SG 3.18Å; C997-C1034 WeakPolarHBondContact SG-CA 3.35Å; C997-C1034 WeakPolarHBondContact SG-CB 3.24Å; C997-C1034 CovalentContact SG-SG 2.04Å; C997-C1034 PolarHBondContact SG-SG 3.49Å; G998-C1034 PolarHBondContact N-SG 2.75Å; K1032-C1034 PolarHBondContact O-N 2.81Å

Retrieved 1,034 of 1,034 residues in 256.5 ms (Link to these results)

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