A0A3Q0KUE0_SCHMA Loading...

Putative kunitz-type protease inhibitor

AlphaFold DB , UniProt , Accession A0A3Q0KUE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,878 aa.

						>A0A3Q0KUE0_SCHMA|A0A3Q0KUE0
MNKKLIIVLSILILILSCCYFETASVKNDDDNDYVDTSDSSEVTNTLEYEEREDGVGEQDNVTEEIAFNSKESYNSLADEQAQLESLNRNQFEIETNDSDDNTEIITALHIKSSNFENEDGIGITESTESQPLLNTITEETLSLVTTDNNLGVLSLNTDDHIPSSHSTDTDESLYSDYILEPNDIVEIPSQSQEHVNVTEEILGNKNEIILDKLEELEGTDQKLDQTTIVPEVLTNEMKVSLNTDKPSSELSKQDIQVTEILADTISLSTTLQSDSNTSAHEKTSIIKLVSISTNRQPVERTYERNVLIEKCYQYPKIKICNKLTDMDLKHQGGWYYNPTEMQCQYTSDCIINDNYFKTKNECIETCEYWRGTARCLAPPQAGHFRCSAVNTEKTIRPILMVYFDKVSGKCRWFTYYGCGGSANRFTSITECENTCGNLIAYKILLVASQLCQVAPTTQLFPQWSRIEMDTWSEISYDGQFYSKEKSEPILFDNLTYIDAMRIEPECANVGQHESRWYLDVETNQCQEFAYSHCGGSSNNFLTRADCEQFCGATKPDISAICKLKPSFGECTGYKTMWYYDPNWVMNMDGQDHYLIGGCKQFNYSGCGGNSNRFPTQAACELTCQFNTKVELQINIDPVEGLNNVTTRSEPIRNKDNNQSTIVITESNKTIHNNLVKKMTKLTLMNIDLEPCRRHPVFGFCRPLNCSEEHRRNQTCHFLNFQRWFFNAHTSNCEAYSYSGCGASENTFDDAQACQAACKARIVRPDRDQRCDSNPHTKKCYTLSVSGSNQQDVSSEKDIIAFHFSMSSATCKAFHLNTKRPGCSMEQYFPNGYDCLRECVKSSPNEKHLQNRCFARKTHVLWNCTDQSVKTYRWSYLPEINQCVRFSECTNPDQIIEQPGNNFASRSECETTCMASSFEEVCQLPKDPGPCTSFQTRYFYDSSTSKCRVFLYGGCLGNFNRFLLRKECELACSQFSTHILSTSNHTKPQENSMEETLVGYDESPPLSAQVFEKMKQITQHHTDRYPWDICLDSHSYGTCSLSGGQYQTTSEYPYVPLTRYYYDRRLGQCQPYTYTGCGARGNHFDTLEKCQIVCENRLKNPKFARCHYDKPITKCPGSGIQAWAYNHTIGDCYFFEICEPEEKESEFQIPQKKFSFRLRRTSQWLGVWQARTGNLPEGIYATRSACQYHCLPKPPRGTDTQNVCHMNPIVTVPFGCNAMVTRWYFEPRETQCRSYITCPQYGNNFPSHKACQDICTPGHPIDVCRLPYDHGGCSNFEKRWYYDMQKRMCMPFTYGGCFGNSNRFVTKAECEGFCMGKDVCRLPLQKNSTDPSYPERFYYDHSRKQCLPFRFTGLLAHGNNFPSLSACNATCIYVPDIEVIAEKIMQSSNLNSDKKLEESNKTLIQASSMENPTNTQQMTDENTSISVHRIPTDNKNILSEKFPCLPFITSSQYENIDRHTFCNSEDIIHELGYRFQVTSSVHVTDETIDGICVPILVPICLNEPQRLYGQLNTYESQMIGRVFKTEAECEETCLLKNRFKRSIIMEKSFDTTKNIRQLLNKILDEKSKLSGHLNDSVYPILNYEMITDKQHNKIFQAVTHSFNQSNFKKTLTLEVLENEHIKLPCWIVSQNKPHVQWIHPLTGKRYPVTVHHHSENKNIWISHLLVHNTKTQLHTGGWVCEASDLETTEYAKATIILNVVSLQSNKILYMSSQNTVSSHDTIMVPKDGLVFLSCPHYQYLGDTLWKKNGEDILQANSEYLVIEHANPKFHTGIWICGINYDNNFIELYKFNISVGYPPELQKSNTNLSKAISQFPLTCPINTQGEPAGYVQWFECKHTNNCYPLTTELYSSMLNQSILIMCRIENIWGMDETYFNLTT
					

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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	31.1	Very low	44.1	Very low	229 Å²	229	132.2 Å²	132.2	100%	1.128	67%	0.672	S	S	*	*				0	121.7	0	-70.8	178.3	174.1	0	0	111.3	K3	M1-K3 PolarHBondContact O-N 3.32Å
2	N	36.6	Very low	44.9	Very low	150 Å²	150	130.3 Å²	130.3	80%	0.802	66%	0.664	S	S	*	*				57.6	49.7	127.7	-51.3	13	0	0	0	120.8
3	K	35.5	Very low	45.7	Very low	180 Å²	180	129.9 Å²	129.9	78%	0.783	66%	0.663	S	S	*	*	S	Bend	trans	-144.2	-10.7	161.5	-118.3	171.6	-172.7	179.4	0	119.5	M1	M1-K3 PolarHBondContact O-N 3.32Å
4	K	38.3	Very low	45.5	Very low	178 Å²	178	130.6 Å²	130.6	77%	0.774	67%	0.667	S	S	*	*	S	Bend	trans	-104.9	-15	175.1	-73.3	-170.2	175.4	-178.1	0	115.8	I6 I7	K4-I6 PolarHBondContact O-N 3.19Å; K4-I7 HydrophobicContact CG-CD1 4.45Å; K4-I7 PolarHBondContact O-N 3.04Å
5	L	42.5	Very low	45.6	Very low	142 Å²	142	130.5 Å²	130.5	74%	0.743	67%	0.667	S	S	*	*	H	α-helix	trans	-65.2	-21	174	-166.1	65.6	0	0	0	113
6	I	48.5	Very low	45.5	Very low	106 Å²	106	131.8 Å²	131.8	54%	0.544	68%	0.675	S	S	.	*	H	α-helix	trans	-80.2	-30	-177.9	-64.4	171.7	0	0	0	112	K4 V8 L9 S10	K4-I6 PolarHBondContact O-N 3.19Å; I6-V8 VanDerWaalsContact C-N 3.28Å; I6-V8 PolarHBondContact O-N 2.84Å; I6-L9 WeakPolarHBondContact O-CB 3.42Å; I6-L9 PolarHBondContact O-N 3.04Å; I6-S10 PolarHBondContact O-N 2.99Å; I6-S10 PolarHBondContact O-OG 3.32Å
7	I	46.3	Very low	45.3	Very low	95 Å²	95	129.3 Å²	129.3	49%	0.487	67%	0.672	S	S	.	*	H	α-helix	trans	-65.4	-35.1	-179.8	-59.3	175.8	0	0	0	110.8	K4 L9 S10 I11	K4-I7 HydrophobicContact CG-CD1 4.45Å; K4-I7 PolarHBondContact O-N 3.04Å; I7-L9 VanDerWaalsContact C-N 3.25Å; I7-L9 PolarHBondContact O-N 3.43Å; I7-S10 PolarHBondContact O-N 3.36Å; I7-I11 HydrophobicContact CG2-CD1 4.21Å; I7-I11 PolarHBondContact O-N 3.45Å
8	V	50.7	Low	44.6	Very low	95 Å²	95	128.9 Å²	128.9	58%	0.576	68%	0.68	S	S	*	*	H	α-helix	trans	-61.1	-34.6	173.4	-176.7	0	0	0	0	111.6	I6	I6-V8 VanDerWaalsContact C-N 3.28Å; I6-V8 PolarHBondContact O-N 2.84Å
9	L	54	Low	44	Very low	108 Å²	108	128.4 Å²	128.4	57%	0.565	69%	0.687	S	S	*	*	H	α-helix	trans	-79.5	-30.6	176	-83	157	0	0	0	113.1	I6 I7 I13	I6-L9 WeakPolarHBondContact O-CB 3.42Å; I6-L9 PolarHBondContact O-N 3.04Å; I7-L9 VanDerWaalsContact C-N 3.25Å; I7-L9 PolarHBondContact O-N 3.43Å; L9-I13 WeakPolarHBondContact O-CD1 3.47Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å
10	S	52.8	Low	43.5	Very low	63 Å²	63	132.2 Å²	132.2	44%	0.441	69%	0.692	S	S	.	*	H	α-helix	trans	-68.8	-40.1	178.8	-56	0	0	0	0	113.1	I6 I7 L12 I13	I6-S10 PolarHBondContact O-N 2.99Å; I6-S10 PolarHBondContact O-OG 3.32Å; I7-S10 PolarHBondContact O-N 3.36Å; S10-L12 VanDerWaalsContact C-N 3.35Å; S10-I13 PolarHBondContact O-N 3.18Å
11	I	49.3	Very low	42.9	Very low	108 Å²	108	134.7 Å²	134.7	55%	0.554	70%	0.698	S	S	*	*	H	α-helix	trans	-70.8	-33.8	-178.3	-63.4	170.6	0	0	0	111.1	I7 I13 L14	I7-I11 HydrophobicContact CG2-CD1 4.21Å; I7-I11 PolarHBondContact O-N 3.45Å; I11-I13 PolarHBondContact O-N 3.41Å; I11-L14 PolarHBondContact O-N 3.49Å
12	L	52.9	Low	43	Very low	110 Å²	110	133.1 Å²	133.1	58%	0.576	69%	0.688	S	S	*	*	H	α-helix	trans	-62.8	-17.9	174.2	-104.1	160	0	0	0	114.3	S10	S10-L12 VanDerWaalsContact C-N 3.35Å
13	I	56.1	Low	43	Very low	125 Å²	125	132.7 Å²	132.7	64%	0.641	69%	0.691	S	S	*	*	H	α-helix	trans	-92.1	-28	-178.1	-68.3	169.3	0	0	0	112.2	L9 S10 I11 I15	L9-I13 WeakPolarHBondContact O-CD1 3.47Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; S10-I13 PolarHBondContact O-N 3.18Å; I11-I13 PolarHBondContact O-N 3.41Å; I13-I15 VanDerWaalsContact C-N 3.28Å; I13-I15 PolarHBondContact O-N 3.28Å
14	L	42.7	Very low	42.7	Very low	139 Å²	139	128.6 Å²	128.6	73%	0.728	69%	0.691	S	S	*	*	H	α-helix	trans	-75.8	-14.1	178.2	-76.7	166.7	0	0	0	113.9	I11 L16	I11-L14 PolarHBondContact O-N 3.49Å; L14-L16 PolarHBondContact O-N 3.18Å
15	I	47	Very low	42.2	Very low	130 Å²	130	125.1 Å²	125.1	67%	0.667	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-5.9	179.3	-68.6	171.1	0	0	0	112.6	I13	I13-I15 VanDerWaalsContact C-N 3.28Å; I13-I15 PolarHBondContact O-N 3.28Å
16	L	44.3	Very low	41.5	Very low	151 Å²	151	123.7 Å²	123.7	79%	0.791	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	19.3	-170.2	-72.2	171.2	0	0	0	116.1	L14	L14-L16 PolarHBondContact O-N 3.18Å
17	S	41.8	Very low	40.9	Very low	89 Å²	89	127.5 Å²	127.5	62%	0.622	70%	0.699	S	S	*	*	S	Bend	trans	-131.8	79.1	173.7	65.1	0	0	0	0	115
18	C	33.3	Very low	40	Very low	122 Å²	122	128.3 Å²	128.3	82%	0.824	70%	0.704	S	S	*	*			trans	65.4	84.6	150.2	-60.7	0	0	0	0	120.7
19	C	32.7	Very low	39	Very low	119 Å²	119	129.5 Å²	129.5	80%	0.804	71%	0.707	S	S	*	*			trans	81.7	108.7	132.2	-60.9	0	0	0	0	122.1
20	Y	33	Very low	38	Very low	204 Å²	204	131.1 Å²	131.1	80%	0.8	72%	0.716	S	S	*	*			trans	84.7	101.9	140.3	-90.1	-101.9	0	0	0	121.8
21	F	32.4	Very low	37.3	Very low	185 Å²	185	134.3 Å²	134.3	81%	0.811	73%	0.728	S	S	*	*			trans	62.5	95.9	147.4	-83.1	-101.7	0	0	0	119.1
22	E	33.3	Very low	36.5	Very low	196 Å²	196	135.2 Å²	135.2	92%	0.916	73%	0.734	S	S	*	*			trans	-77.5	138.6	173.4	-58	177.6	127	0	0	113.1
23	T	35.2	Very low	35.5	Very low	142 Å²	142	136.8 Å²	136.8	87%	0.871	74%	0.743	S	S	*	*			trans	-138.4	131.3	157.7	46.9	0	0	0	0	109
24	A	30.1	Very low	34.3	Very low	93 Å²	93	140.7 Å²	140.7	77%	0.769	75%	0.751	S	S	*	*			trans	-90.2	133.4	-172.1	0	0	0	0	0	112.7
25	S	27.3	Very low	34	Very low	106 Å²	106	139.1 Å²	139.1	74%	0.741	75%	0.747	S	S	*	*			trans	-161.2	150	176.6	-164.2	0	0	0	0	111.6
26	V	28.7	Very low	33.1	Very low	112 Å²	112	139.6 Å²	139.6	68%	0.679	75%	0.751	S	S	*	*			trans	57.8	146.2	173.3	-109.6	0	0	0	0	116
27	K	34.1	Very low	32.4	Very low	186 Å²	186	137.1 Å²	137.1	81%	0.809	74%	0.743	S	S	*	*			cis	-138.9	157.8	17.9	-64.8	-173.7	176.9	-172	0	111.1
28	N	28.5	Very low	31.9	Very low	112 Å²	112	137.8 Å²	137.8	60%	0.599	75%	0.747	S	S	*	*			cis	87.5	114.7	31.5	-81.8	71.4	0	0	0	115.9
29	D	30.1	Very low	31.7	Very low	119 Å²	119	138.8 Å²	138.8	64%	0.636	74%	0.744	S	S	*	*			trans	85	151.5	132.1	-46.7	-15.5	0	0	0	122.5
30	D	32.5	Very low	31.4	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	74%	0.736	S	S	*	*			trans	68.5	147.7	160.2	-48.2	-32.1	0	0	0	118.8
31	D	37.9	Very low	31.1	Very low	131 Å²	131	132.2 Å²	132.2	70%	0.701	73%	0.73	S	S	*	*			cis	-147.3	139.2	2.9	-103.8	-40.6	0	0	0	108
32	N	31.8	Very low	30.9	Very low	127 Å²	127	131.4 Å²	131.4	68%	0.679	73%	0.729	S	S	*	*				74.8	136.1	79.8	-77.5	-43.8	0	0	0	119
33	D	31.9	Very low	30.6	Very low	142 Å²	142	127 Å²	127	76%	0.759	72%	0.715	S	S	*	*			trans	56.4	152.1	155.9	-61.8	-39.7	0	0	0	119.8
34	Y	32.3	Very low	30.2	Very low	207 Å²	207	125.3 Å²	125.3	81%	0.812	70%	0.704	S	S	*	*			cis	-178.3	168.1	34.6	-157	-141	0	0	0	111.7
35	V	35.7	Very low	29.9	Very low	106 Å²	106	127.2 Å²	127.2	64%	0.642	70%	0.701	S	S	*	*			trans	66.8	121.6	166.2	-163.3	0	0	0	0	116.9
36	D	27.7	Very low	29.8	Very low	141 Å²	141	127.5 Å²	127.5	75%	0.754	70%	0.699	S	S	*	*			cis	95	149.7	22.6	-160.3	20.1	0	0	0	115.9
37	T	30.8	Very low	29.7	Very low	99 Å²	99	128.6 Å²	128.6	61%	0.607	70%	0.7	S	S	*	*			trans	62.9	115.1	172.4	66.7	0	0	0	0	117.4
38	S	30	Very low	29.3	Very low	103 Å²	103	126.8 Å²	126.8	72%	0.72	70%	0.695	S	S	*	*				84.1	156.4	94.4	88.9	0	0	0	0	114
39	D	28.8	Very low	29.4	Very low	142 Å²	142	131 Å²	131	76%	0.759	70%	0.703	S	S	*	*			cis	-160.2	165	-5.6	-143.3	-32.7	0	0	0	109.9
40	S	27.6	Very low	29.3	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	70%	0.703	S	S	*	*			trans	67.4	139.8	157	90.5	0	0	0	0	116.8
41	S	27.6	Very low	29.1	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	69%	0.69	S	S	*	*				71.7	144.1	90.8	94.7	0	0	0	0	114
42	E	26.9	Very low	28.7	Very low	168 Å²	168	131.8 Å²	131.8	79%	0.785	69%	0.687	S	S	*	*			cis	-165.4	-164.8	8.7	-143.1	173.9	-143.2	0	0	110
43	V	27.5	Very low	28.7	Very low	104 Å²	104	132.9 Å²	132.9	63%	0.63	69%	0.689	S	S	*	*			trans	55.7	83	144.8	170.8	0	0	0	0	116.4
44	T	25.7	Very low	28.6	Very low	106 Å²	106	133.5 Å²	133.5	65%	0.65	69%	0.692	S	S	*	*				85.4	158.6	90.9	64.4	0	0	0	0	116.1
45	N	25.2	Very low	28.5	Very low	132 Å²	132	126.7 Å²	126.7	71%	0.706	68%	0.684	S	S	*	*			trans	70.8	113.3	156.6	-63	-8.6	0	0	0	115.7
46	T	25.4	Very low	28.1	Very low	113 Å²	113	128.4 Å²	128.4	69%	0.693	70%	0.695	S	S	*	*				68.1	152.6	62.5	70.9	0	0	0	0	113.8
47	L	25.1	Very low	28.2	Very low	135 Å²	135	124.7 Å²	124.7	71%	0.707	69%	0.69	S	S	*	*			trans	76.2	108.3	-173.5	-45.5	177	0	0	0	110.3
48	E	27.1	Very low	28.1	Very low	147 Å²	147	128.1 Å²	128.1	69%	0.687	70%	0.699	S	S	*	*				63.9	100.3	72.6	-63.3	160.2	-165.3	0	0	110.2
49	Y	29	Very low	27.8	Very low	200 Å²	200	130.6 Å²	130.6	78%	0.784	70%	0.699	S	S	*	*				-129.1	134.5	100.5	-92.3	-89	0	0	0	106.8
50	E	28.2	Very low	27.7	Very low	135 Å²	135	129.3 Å²	129.3	63%	0.631	69%	0.693	S	S	*	*				61.8	134.8	58.3	-84.7	179.5	168.4	0	0	111
51	E	29.3	Very low	27.6	Very low	103 Å²	103	131.2 Å²	131.2	48%	0.481	70%	0.695	S	S	.	*			cis	-165.9	156.4	34.7	-119.2	152.2	172.6	0	0	111.9
52	R	29.6	Very low	27.6	Very low	171 Å²	171	132.3 Å²	132.3	65%	0.645	70%	0.698	S	S	*	*			trans	66.2	158.3	147.8	-69.1	-177.9	-137.8	100.5	-5.7	118.6
53	E	31.5	Very low	27.5	Very low	151 Å²	151	129.4 Å²	129.4	71%	0.706	69%	0.692	S	S	*	*			cis	-142.5	138	4	-136.4	149.8	-122	0	0	111.5
54	D	28.9	Very low	27.4	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	70%	0.695	S	S	*	*			trans	21.5	141.4	140.8	-52.4	-1.7	0	0	0	120.5
55	G	30.1	Very low	27.4	Very low	63 Å²	63	134.5 Å²	134.5	65%	0.649	70%	0.701	S	S	*	*			cis	153.7	-166.1	4.8	0	0	0	0	0	111.3
56	V	28.8	Very low	27.7	Very low	142 Å²	142	135.9 Å²	135.9	86%	0.861	71%	0.707	S	S	*	*			trans	68.7	131.5	-178.2	-161.4	0	0	0	0	110.6
57	G	28.6	Very low	27.9	Very low	64 Å²	64	133.3 Å²	133.3	66%	0.66	70%	0.697	S	S	*	*			cis	87.1	139.6	47.9	0	0	0	0	0	108
58	E	28.6	Very low	28.2	Very low	171 Å²	171	136 Å²	136	80%	0.799	70%	0.703	S	S	*	*			cis	-124.1	180	10.6	-84	171.4	113.7	0	0	108.1
59	Q	25.3	Very low	28.2	Very low	155 Å²	155	134.9 Å²	134.9	72%	0.724	70%	0.702	S	S	*	*				41	134.7	63.9	-79.5	178.8	-99.2	0	0	111.8
60	D	26.6	Very low	28.2	Very low	115 Å²	115	129.7 Å²	129.7	62%	0.615	70%	0.695	S	S	*	*			cis	-152.4	-169.6	14.4	-116.1	-39.9	0	0	0	110.9
61	N	24.9	Very low	28.3	Very low	129 Å²	129	131.3 Å²	131.3	69%	0.69	70%	0.7	S	S	*	*			trans	-23.6	-166.9	160.6	-50.6	-74	0	0	0	120
62	V	27.3	Very low	28.3	Very low	119 Å²	119	133 Å²	133	72%	0.721	71%	0.708	S	S	*	*			trans	78.6	97	172.3	-167.7	0	0	0	0	109.5
63	T	24.9	Very low	28.2	Very low	107 Å²	107	128.9 Å²	128.9	66%	0.656	71%	0.705	S	S	*	*				48.9	137.1	75.2	75.5	0	0	0	0	111
64	E	26.2	Very low	28	Very low	149 Å²	149	130.8 Å²	130.8	70%	0.696	71%	0.707	S	S	*	*			cis	-150.6	172.5	37.8	-115.1	114.3	-118	0	0	110
65	E	25.8	Very low	27.9	Very low	169 Å²	169	129.8 Å²	129.8	79%	0.79	70%	0.702	S	S	*	*			trans	20.1	130.7	132	-48.6	-179.1	164.7	0	0	117.5
66	I	31.5	Very low	27.7	Very low	161 Å²	161	131 Å²	131	83%	0.826	70%	0.7	S	S	*	*				-140.8	129.8	64.7	-83.1	153.2	0	0	0	112.9
67	A	28.3	Very low	27.7	Very low	58 Å²	58	131.8 Å²	131.8	48%	0.479	70%	0.699	S	S	.	*			trans	-17.4	147.9	150.4	0	0	0	0	0	116.2
68	F	32.2	Very low	27.7	Very low	191 Å²	191	132.5 Å²	132.5	84%	0.838	70%	0.698	S	S	*	*				-145.7	130.4	68.9	-105.5	-98.5	0	0	0	108.8
69	N	26.7	Very low	27.7	Very low	125 Å²	125	131.2 Å²	131.2	67%	0.668	70%	0.697	S	S	*	*				46	132.7	62	-75.6	-38.9	0	0	0	112.2
70	S	29.5	Very low	27.8	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	70%	0.695	S	S	*	*			cis	-151.4	148.5	17.2	39.8	0	0	0	0	108.5
71	K	30.4	Very low	27.8	Very low	170 Å²	170	132.7 Å²	132.7	74%	0.739	70%	0.7	S	S	*	*				53.2	159.5	100.4	-39.4	171.2	174.2	-177.5	0	115.3
72	E	28.8	Very low	27.9	Very low	139 Å²	139	130.7 Å²	130.7	65%	0.65	70%	0.701	S	S	*	*			cis	-132	137.8	16	-77.1	-175.6	165.6	0	0	108.5
73	S	27.3	Very low	28.1	Very low	84 Å²	84	133.8 Å²	133.8	59%	0.587	71%	0.708	S	S	*	*				38.9	128.6	87.8	58	0	0	0	0	113.6
74	Y	27.4	Very low	28.2	Very low	191 Å²	191	136.1 Å²	136.1	75%	0.749	72%	0.716	S	S	*	*				-157.4	164.3	61.3	-101.3	-94.6	0	0	0	114.1
75	N	26.7	Very low	28.2	Very low	134 Å²	134	137.4 Å²	137.4	72%	0.717	72%	0.722	S	S	*	*			trans	8.5	153.7	134.8	-63.5	17.8	0	0	0	119.9
76	S	26.3	Very low	28.3	Very low	88 Å²	88	133.7 Å²	133.7	62%	0.615	71%	0.714	S	S	*	*			cis	175	164.1	-9.2	53.6	0	0	0	0	109.7
77	L	27.6	Very low	28.2	Very low	159 Å²	159	132 Å²	132	83%	0.832	71%	0.706	S	S	*	*			trans	66	142.7	152.3	-107.5	73.7	0	0	0	119.1
78	A	29.9	Very low	28.2	Very low	78 Å²	78	135.8 Å²	135.8	65%	0.645	72%	0.719	S	S	*	*			trans	60.9	157.3	137.9	0	0	0	0	0	119.9
79	D	27.3	Very low	28	Very low	145 Å²	145	134.8 Å²	134.8	78%	0.775	71%	0.709	S	S	*	*			cis	-156.8	170.4	-32.2	-111.1	-45.7	0	0	0	109
80	E	27.5	Very low	28.2	Very low	146 Å²	146	134.7 Å²	134.7	68%	0.682	71%	0.709	S	S	*	*			trans	38.5	121.6	148.7	-63.9	-151.7	112.5	0	0	123.2
81	Q	27.2	Very low	27.9	Very low	155 Å²	155	137 Å²	137	72%	0.724	71%	0.71	S	S	*	*				71.7	122.2	126.8	-62.3	-174.5	31.6	0	0	123.2
82	A	27.3	Very low	27.7	Very low	86 Å²	86	136.6 Å²	136.6	71%	0.711	71%	0.708	S	S	*	*			trans	73.3	166.3	130.3	0	0	0	0	0	120.9
83	Q	31	Very low	27.5	Very low	184 Å²	184	137 Å²	137	86%	0.86	71%	0.71	S	S	*	*			trans	67.4	109.4	-179.8	-55.5	175.1	17.7	0	0	112.2
84	L	26.7	Very low	27.4	Very low	157 Å²	157	139.5 Å²	139.5	82%	0.822	72%	0.715	S	S	*	*				61.4	126.6	51.4	-153.1	89.3	0	0	0	111.6
85	E	27.5	Very low	27.3	Very low	175 Å²	175	138.3 Å²	138.3	82%	0.818	72%	0.717	S	S	*	*			trans	67.9	143.5	-176.1	-62.3	-179.6	-160.6	0	0	115.2
86	S	27.8	Very low	27.3	Very low	91 Å²	91	137 Å²	137	64%	0.636	71%	0.714	S	S	*	*			cis	-160.2	168.5	-17.7	57.7	0	0	0	0	111.6
87	L	28.7	Very low	27.3	Very low	125 Å²	125	139.2 Å²	139.2	65%	0.654	72%	0.719	S	S	*	*			trans	31.4	116.5	142.3	-67.2	163.5	0	0	0	118.9
88	N	28	Very low	27.4	Very low	139 Å²	139	138.1 Å²	138.1	74%	0.743	71%	0.714	S	S	*	*				177.9	152.8	111.3	-88.4	-27.5	0	0	0	111.6
89	R	28	Very low	27.5	Very low	169 Å²	169	138.9 Å²	138.9	64%	0.638	71%	0.714	S	S	*	*			cis	-173.3	173.2	-29.7	-140.1	-174.8	-113.2	-125.4	-1.8	108.3
90	N	31	Very low	27.9	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	71%	0.711	S	S	*	*			trans	73	118.2	169.6	-45.7	-22.9	0	0	0	112.8
91	Q	24.4	Very low	28.4	Very low	139 Å²	139	137.5 Å²	137.5	65%	0.65	71%	0.712	S	S	*	*			cis	71.8	142.7	38.5	-52.2	179.7	-90.6	0	0	114.1
92	F	26.1	Very low	28.9	Very low	162 Å²	162	135.3 Å²	135.3	71%	0.711	71%	0.705	S	S	*	*			trans	68.4	146.4	179.1	-47.8	-77.7	0	0	0	113.3
93	E	24.7	Very low	29.3	Very low	147 Å²	147	136.8 Å²	136.8	69%	0.687	71%	0.705	S	S	*	*			cis	-148.7	157.2	-12.1	-117.6	154.7	173.8	0	0	107.3
94	I	25.3	Very low	29.5	Very low	136 Å²	136	135 Å²	135	70%	0.697	70%	0.697	S	S	*	*				48.2	143.4	97.4	-56.6	-177.2	0	0	0	114.3
95	E	25.3	Very low	29.9	Very low	167 Å²	167	134.2 Å²	134.2	78%	0.78	69%	0.692	S	S	*	*			trans	70.6	154.8	177.5	-76	151.6	-134.5	0	0	116.3
96	T	26	Very low	30.2	Very low	107 Å²	107	131.9 Å²	131.9	66%	0.656	68%	0.684	S	S	*	*				-175.9	157.4	-53.5	27.8	0	0	0	0	108.1
97	N	26.1	Very low	30.6	Very low	134 Å²	134	133.2 Å²	133.2	72%	0.717	69%	0.688	S	S	*	*			trans	66.6	169.6	150.1	-68.7	9.1	0	0	0	119.6
98	D	29.8	Very low	30.9	Very low	136 Å²	136	130.8 Å²	130.8	73%	0.727	69%	0.686	S	S	*	*			trans	56.8	106.7	161.9	-50.1	-21.6	0	0	0	116.5
99	S	31.7	Very low	31	Very low	94 Å²	94	131.3 Å²	131.3	66%	0.657	69%	0.688	S	S	*	*				74.9	161.1	57.5	93.8	0	0	0	0	112.6
100	D	35.4	Very low	31.1	Very low	132 Å²	132	130.3 Å²	130.3	71%	0.706	69%	0.69	S	S	*	*			cis	-152.6	-164.2	14	-133	-45.7	0	0	0	111.3
101	D	39.5	Very low	31	Very low	129 Å²	129	131.4 Å²	131.4	69%	0.69	70%	0.695	S	S	*	*			trans	78	133.4	154.1	-81.6	27.5	0	0	0	120.1
102	N	36.4	Very low	31.2	Very low	109 Å²	109	133.9 Å²	133.9	58%	0.583	70%	0.704	S	S	*	*			cis	-159.6	134.4	-17.5	-130.2	-32.6	0	0	0	114.8
103	T	35.7	Very low	31.3	Very low	117 Å²	117	130.7 Å²	130.7	72%	0.718	70%	0.701	S	S	*	*			trans	41.1	145.6	141.1	41.7	0	0	0	0	124.6
104	E	35.8	Very low	31.4	Very low	148 Å²	148	128.3 Å²	128.3	69%	0.692	70%	0.701	S	S	*	*			cis	-137.5	-113.8	-8.7	-161.8	-153.6	118.1	0	0	111	I106	E104-I106 WeakPolarHBondContact OE1-CG1 3.28Å; E104-I106 PolarHBondContact OE1-N 3.31Å
105	I	34.4	Very low	31.4	Very low	139 Å²	139	128.5 Å²	128.5	71%	0.713	70%	0.703	S	S	*	*			cis	-147.7	135	-2.1	-164.2	169.3	0	0	0	113.4
106	I	34.5	Very low	31.5	Very low	126 Å²	126	128.9 Å²	128.9	65%	0.646	70%	0.703	S	S	*	*			trans	21.5	106.1	160.3	-59.6	176.6	0	0	0	116.1	E104	E104-I106 WeakPolarHBondContact OE1-CG1 3.28Å; E104-I106 PolarHBondContact OE1-N 3.31Å
107	T	35.7	Very low	31.7	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	71%	0.707	S	S	*	*			cis	-145.3	-125.4	-4.4	30.6	0	0	0	0	109.4
108	A	34.2	Very low	31.8	Very low	74 Å²	74	131.6 Å²	131.6	61%	0.612	71%	0.708	S	S	*	*			cis	-151.9	-151.3	8.8	0	0	0	0	0	114.2
109	L	30.7	Very low	31.9	Very low	151 Å²	151	132.7 Å²	132.7	79%	0.791	71%	0.709	S	S	*	*			trans	-136.3	150.9	-131.8	-64.4	176.8	0	0	0	114.7
110	H	31.1	Very low	31.9	Very low	147 Å²	147	136 Å²	136	68%	0.681	72%	0.719	S	S	*	*			cis	-173.7	159.8	-29.9	-135.9	43.4	0	0	0	110.7
111	I	29.3	Very low	31.8	Very low	146 Å²	146	133.1 Å²	133.1	75%	0.749	72%	0.721	S	S	*	*			trans	66.6	156.2	156.4	-76.7	165.2	0	0	0	117.6
112	K	26.9	Very low	31.4	Very low	192 Å²	192	135 Å²	135	84%	0.835	73%	0.729	S	S	*	*			cis	-166.3	179.3	-43.9	-146	172.6	-176.9	177.5	0	108.3
113	S	28	Very low	31.3	Very low	94 Å²	94	133.2 Å²	133.2	66%	0.657	74%	0.736	S	S	*	*			trans	-63.1	161.1	-175.2	53.3	0	0	0	0	118.7
114	S	27.3	Very low	31.1	Very low	98 Å²	98	134.9 Å²	134.9	69%	0.685	74%	0.739	S	S	*	*			trans	92.8	133.5	140.1	73.2	0	0	0	0	122.4
115	N	26.1	Very low	30.8	Very low	139 Å²	139	133.2 Å²	133.2	74%	0.743	74%	0.739	S	S	*	*			trans	71.6	124.9	142.4	-66	2.4	0	0	0	123.8
116	F	27.2	Very low	30.6	Very low	175 Å²	175	134.6 Å²	134.6	77%	0.768	74%	0.743	S	S	*	*			trans	75.9	137	138.6	-84.5	-116	0	0	0	122.7
117	E	30.4	Very low	30.4	Very low	160 Å²	160	133.4 Å²	133.4	75%	0.748	75%	0.746	S	S	*	*			trans	66.8	101.6	147.5	-72	169.6	-171.4	0	0	123.4
118	N	27.5	Very low	30.2	Very low	138 Å²	138	132.9 Å²	132.9	74%	0.738	74%	0.743	S	S	*	*				59.3	143	119.3	-77.9	32.6	0	0	0	126.4
119	E	32.4	Very low	29.8	Very low	160 Å²	160	137.7 Å²	137.7	75%	0.748	75%	0.752	S	S	*	*			trans	82.1	105.9	144.3	-79.2	164.8	-126.9	0	0	123
120	D	31.7	Very low	29.6	Very low	162 Å²	162	135.7 Å²	135.7	87%	0.866	75%	0.751	S	S	*	*				59.9	139.8	127.7	-66.1	9	0	0	0	123.6
121	G	34	Very low	29.6	Very low	73 Å²	73	137.5 Å²	137.5	75%	0.753	76%	0.76	S	S	*	*			trans	-179.1	-1.9	176.9	0	0	0	0	0	123
122	I	30.7	Very low	29.8	Very low	168 Å²	168	135.9 Å²	135.9	86%	0.862	76%	0.759	S	S	*	*			trans	35.2	123	163.6	-56	175.7	0	0	0	119.6
123	G	33.8	Very low	29.7	Very low	71 Å²	71	134 Å²	134	73%	0.732	76%	0.757	S	S	*	*			trans	-152.3	10.2	-174.7	0	0	0	0	0	124
124	I	31.7	Very low	29.8	Very low	152 Å²	152	136.6 Å²	136.6	78%	0.779	76%	0.763	S	S	*	*			trans	56.3	113.8	157.1	-58.8	174.3	0	0	0	118.2
125	T	29.3	Very low	29.7	Very low	113 Å²	113	138.3 Å²	138.3	69%	0.693	76%	0.764	S	S	*	*			cis	-132.7	-82.7	-12.2	-15.7	0	0	0	0	110.6
126	E	31.2	Very low	29.7	Very low	168 Å²	168	136.8 Å²	136.8	79%	0.785	76%	0.76	S	S	*	*			cis	-143.8	179.3	-39.2	-157.1	135.5	-68.7	0	0	109.6
127	S	29.7	Very low	29.7	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	76%	0.759	S	S	*	*				-151.6	172.1	-129.7	68.1	0	0	0	0	114.5
128	T	30.2	Very low	29.5	Very low	107 Å²	107	133.6 Å²	133.6	66%	0.656	76%	0.76	S	S	*	*			cis	-127.6	-172.2	10	63.3	0	0	0	0	110.4
129	E	27.3	Very low	29.6	Very low	175 Å²	175	135.4 Å²	135.4	82%	0.818	76%	0.764	S	S	*	*			cis	-162.4	142	5.4	-142.3	152.4	-63.8	0	0	110.3
130	S	26	Very low	29.3	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	77%	0.767	S	S	*	*			trans	-167.5	133.3	163.5	60	0	0	0	0	113.2
131	Q	30.8	Very low	29	Very low	185 Å²	185	133.7 Å²	133.7	86%	0.864	76%	0.758	S	S	*	*			trans	62.2	139.4	172.7	-66	-171.2	-17.8	0	0	119.8
132	P	33.2	Very low	28.6	Very low	113 Å²	113	138 Å²	138	73%	0.734	76%	0.763	S	S	*	*			trans	-109.1	145.6	137.4	35.5	-28.4	0	0	0	110.6
133	L	26	Very low	28.2	Very low	151 Å²	151	133.9 Å²	133.9	79%	0.791	75%	0.749	S	S	*	*				69.5	125.2	54.4	-68.9	161.3	0	0	0	112.6
134	L	29.4	Very low	27.7	Very low	150 Å²	150	138 Å²	138	79%	0.785	75%	0.753	S	S	*	*				-162.4	165.7	68.3	-169.9	59.3	0	0	0	113.8
135	N	26.1	Very low	27.4	Very low	133 Å²	133	137 Å²	137	71%	0.711	75%	0.754	S	S	*	*			trans	-79.6	-176.2	174.2	-55	-42.9	0	0	0	111.9
136	T	26.1	Very low	27.3	Very low	107 Å²	107	137 Å²	137	66%	0.656	75%	0.754	S	S	*	*				177.8	149.4	67.3	40.1	0	0	0	0	114.6
137	I	27.2	Very low	27.1	Very low	146 Å²	146	134.1 Å²	134.1	75%	0.749	75%	0.748	S	S	*	*			trans	70.1	146.8	138.4	-68	165.5	0	0	0	119.2
138	T	25.2	Very low	27.2	Very low	123 Å²	123	135.6 Å²	135.6	76%	0.755	75%	0.748	S	S	*	*			cis	-160.8	-176.1	-43.5	45.4	0	0	0	0	108.4
139	E	28.9	Very low	27.2	Very low	176 Å²	176	136 Å²	136	82%	0.822	75%	0.746	S	S	*	*			trans	-45.8	149.5	169.3	-49.2	176.3	137.2	0	0	116.1
140	E	26.2	Very low	27.5	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	74%	0.743	S	S	*	*				175.1	107.8	126.8	-95.1	-177	172.9	0	0	108.7
141	T	26.9	Very low	27.7	Very low	109 Å²	109	136.7 Å²	136.7	67%	0.669	75%	0.746	S	S	*	*				66.9	139.6	88.4	65.9	0	0	0	0	117.2
142	L	24.4	Very low	27.7	Very low	162 Å²	162	131.1 Å²	131.1	85%	0.848	74%	0.738	S	S	*	*			trans	65.2	153.7	168.1	-83.2	68.9	0	0	0	116.3
143	S	23.4	Very low	27.4	Very low	83 Å²	83	131.7 Å²	131.7	58%	0.58	74%	0.739	S	S	*	*			cis	-178.9	147.9	-25.2	53.9	0	0	0	0	111.2
144	L	22.9	Very low	27.6	Very low	157 Å²	157	131.1 Å²	131.1	82%	0.822	74%	0.736	S	S	*	*			trans	62.2	152	141.7	-69.5	164.8	0	0	0	121.2
145	V	25.3	Very low	27.4	Very low	132 Å²	132	128.6 Å²	128.6	80%	0.8	73%	0.731	S	S	*	*			trans	56.4	142.7	171.7	-99.7	0	0	0	0	116.8
146	T	27.2	Very low	27.3	Very low	113 Å²	113	128.9 Å²	128.9	69%	0.693	73%	0.732	S	S	*	*			cis	-129.1	136.8	4.3	44	0	0	0	0	109
147	T	27	Very low	27.3	Very low	106 Å²	106	130 Å²	130	65%	0.65	73%	0.734	S	S	*	*				39.8	114.2	89.7	75.9	0	0	0	0	112.2
148	D	31.7	Very low	27.3	Very low	133 Å²	133	128 Å²	128	71%	0.711	73%	0.728	S	S	*	*				-168.4	167.9	67.2	-77.7	-24	0	0	0	109.4
149	N	30.4	Very low	27.5	Very low	117 Å²	117	128.3 Å²	128.3	63%	0.626	73%	0.726	S	S	*	*			cis	-170	164.7	-23.7	-95.9	-32	0	0	0	108.6
150	N	34	Very low	27.4	Very low	138 Å²	138	125.4 Å²	125.4	74%	0.738	72%	0.715	S	S	*	*			trans	80.5	143.9	157.8	-55.7	-39.9	0	0	0	120.5
151	L	29.3	Very low	27.8	Very low	160 Å²	160	124.1 Å²	124.1	84%	0.838	71%	0.709	S	S	*	*			cis	-170.3	155.9	-32.6	-144.8	70.8	0	0	0	109.3
152	G	31	Very low	27.8	Very low	67 Å²	67	126 Å²	126	69%	0.691	71%	0.713	S	S	*	*			trans	117.6	97.4	173.2	0	0	0	0	0	114.6
153	V	27.4	Very low	28.3	Very low	125 Å²	125	123.3 Å²	123.3	76%	0.758	71%	0.706	S	S	*	*			cis	71.5	108.6	28.9	-176.2	0	0	0	0	110
154	L	28.9	Very low	28.6	Very low	140 Å²	140	124.2 Å²	124.2	73%	0.733	71%	0.713	S	S	*	*			cis	-140.2	165.2	6.6	-68.9	137.1	0	0	0	108.1
155	S	26.1	Very low	29.1	Very low	96 Å²	96	121.3 Å²	121.3	67%	0.671	71%	0.705	S	S	*	*			cis	77	150.8	29.6	97.9	0	0	0	0	117.2
156	L	24.8	Very low	29.6	Very low	139 Å²	139	123.7 Å²	123.7	73%	0.728	71%	0.707	S	S	*	*			trans	88.3	129.5	-174.2	-54.8	168	0	0	0	114.2
157	N	25.1	Very low	29.7	Very low	132 Å²	132	122.6 Å²	122.6	71%	0.706	70%	0.704	S	S	*	*			cis	79	139.4	46.1	-65.2	14	0	0	0	111.5
158	T	27.7	Very low	30	Very low	103 Å²	103	123 Å²	123	63%	0.632	71%	0.706	S	S	*	*			cis	-167.1	-176.4	10.7	7.6	0	0	0	0	111.8
159	D	28.1	Very low	29.9	Very low	130 Å²	130	123.4 Å²	123.4	70%	0.695	71%	0.709	S	S	*	*			trans	63.6	141	149	-53.6	-21.6	0	0	0	119.1
160	D	28.4	Very low	30	Very low	114 Å²	114	124 Å²	124	61%	0.61	72%	0.717	S	S	*	*			cis	-177.8	168.2	11.4	-127.3	-36.4	0	0	0	114.1
161	H	33.8	Very low	29.6	Very low	150 Å²	150	124.8 Å²	124.8	69%	0.694	72%	0.721	S	S	*	*			trans	62.3	128.9	153.7	-59	6.9	0	0	0	121.2
162	I	26.9	Very low	29.5	Very low	148 Å²	148	126.5 Å²	126.5	76%	0.759	73%	0.725	S	S	*	*			cis	78.8	131.4	22.8	-52.2	176.3	0	0	0	114
163	P	35.3	Very low	29.5	Very low	106 Å²	106	128.8 Å²	128.8	69%	0.688	73%	0.73	S	S	*	*			cis	-147.2	-171.1	-28	43.2	-23.1	0	0	0	117.2
164	S	29.8	Very low	29.6	Very low	103 Å²	103	130 Å²	130	72%	0.72	73%	0.732	S	S	*	*			trans	80.2	128.1	138.3	74.1	0	0	0	0	125.2
165	S	32.8	Very low	29.8	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	73%	0.725	S	S	*	*				148.9	140.9	98.1	64.5	0	0	0	0	117.4
166	H	35.7	Very low	29.8	Very low	181 Å²	181	130.4 Å²	130.4	84%	0.838	73%	0.725	S	S	*	*			trans	56.1	152.3	161.5	-62.4	-70.6	0	0	0	122.4
167	S	30.2	Very low	29.9	Very low	90 Å²	90	128.1 Å²	128.1	63%	0.629	71%	0.713	S	S	*	*			cis	-173	166.3	-36.5	51.7	0	0	0	0	112.3
168	T	33.5	Very low	30	Very low	114 Å²	114	131.7 Å²	131.7	70%	0.699	72%	0.718	S	S	*	*			trans	71.5	105.5	162.6	58.2	0	0	0	0	122.5
169	D	29.3	Very low	30.1	Very low	142 Å²	142	133.9 Å²	133.9	76%	0.759	72%	0.724	S	S	*	*				77.9	132.2	125.7	-53.2	-14	0	0	0	125.3
170	T	31.5	Very low	30	Very low	129 Å²	129	134.4 Å²	134.4	79%	0.791	73%	0.726	S	S	*	*			trans	73.2	94.9	161.1	50.5	0	0	0	0	121.6
171	D	26.5	Very low	30.2	Very low	155 Å²	155	137 Å²	137	83%	0.829	74%	0.735	S	S	*	*			trans	58.5	132.1	137.1	-59.5	-24.7	0	0	0	124.6
172	E	27.4	Very low	30.4	Very low	197 Å²	197	134.4 Å²	134.4	92%	0.921	73%	0.731	S	S	*	*			trans	68.8	73.8	159.4	-61.7	-170.5	175.8	0	0	120.8
173	S	30.6	Very low	30.4	Very low	115 Å²	115	134 Å²	134	80%	0.804	73%	0.731	S	S	*	*			trans	-136.5	138.4	165.3	60.1	0	0	0	0	111.2
174	L	29.4	Very low	30.1	Very low	151 Å²	151	135.6 Å²	135.6	79%	0.791	73%	0.734	S	S	*	*			cis	82.8	114.7	6.7	-123.2	99.4	0	0	0	118.5
175	Y	32.3	Very low	30	Very low	148 Å²	148	136.9 Å²	136.9	58%	0.58	73%	0.731	S	S	*	*			trans	60.1	159.2	168.2	-80.5	-101.1	0	0	0	117.3	Q714	Y175-Q714 PolarHBondContact OH-NE2 3.14Å
176	S	27.6	Very low	29.8	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	73%	0.733	S	S	*	*			cis	-155.4	149.1	16.2	52.5	0	0	0	0	114
177	D	27.3	Very low	29.6	Very low	91 Å²	91	137.7 Å²	137.7	49%	0.487	73%	0.732	S	S	.	*			trans	44.3	150.2	133.7	-48	-41.3	0	0	0	125.3
178	Y	26.7	Very low	29.5	Very low	207 Å²	207	140.5 Å²	140.5	81%	0.812	74%	0.739	S	S	*	*			trans	69.3	149.7	174.8	-52.8	-83.1	0	0	0	115.3
179	I	28.5	Very low	29.3	Very low	149 Å²	149	140.7 Å²	140.7	76%	0.764	74%	0.742	S	S	*	*			cis	-133.3	121.2	15.2	-62.5	168.4	0	0	0	106.6
180	L	26.7	Very low	29.2	Very low	140 Å²	140	137.9 Å²	137.9	73%	0.733	73%	0.733	S	S	*	*				60.2	143.5	91.2	-89.8	169.5	0	0	0	117.5
181	E	33.7	Very low	29	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	74%	0.736	S	S	*	*			trans	-40.1	167.3	166.7	-62.5	-179	173.9	0	0	115
182	P	36.5	Very low	29	Very low	95 Å²	95	136.9 Å²	136.9	62%	0.617	72%	0.724	S	S	*	*			cis	-159.8	-174.2	37.7	47.2	-25.5	0	0	0	120.4
183	N	27.5	Very low	29	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	71%	0.714	S	S	*	*			trans	64.9	158.3	157.2	-55.7	-25.3	0	0	0	116.4
184	D	28	Very low	28.8	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	71%	0.705	S	S	*	*			cis	-144.9	166.1	28.4	-95.9	-31	0	0	0	109.7
185	I	27.9	Very low	28.7	Very low	129 Å²	129	136.4 Å²	136.4	66%	0.662	70%	0.704	S	S	*	*			cis	-170.2	142.3	-27.5	-135.9	-179.6	0	0	0	106.3
186	V	28.6	Very low	28.5	Very low	117 Å²	117	135.1 Å²	135.1	71%	0.709	71%	0.712	S	S	*	*			trans	65.6	144.3	159.2	174.7	0	0	0	0	115.8
187	E	32.9	Very low	28.3	Very low	177 Å²	177	137 Å²	137	83%	0.827	71%	0.714	S	S	*	*			cis	-139.8	157.1	29.3	-151.5	139.7	-118.3	0	0	114.6
188	I	26.5	Very low	28.4	Very low	150 Å²	150	137.7 Å²	137.7	77%	0.769	72%	0.721	S	S	*	*			trans	-131.1	159	-175.3	-74.6	170.9	0	0	0	106.1
189	P	30.4	Very low	28.4	Very low	118 Å²	118	133 Å²	133	77%	0.766	72%	0.715	S	S	*	*			cis	-111.7	-112.1	5.5	19	7.2	0	0	0	112.7
190	S	26.5	Very low	28.6	Very low	83 Å²	83	133.1 Å²	133.1	58%	0.58	71%	0.712	S	S	*	*			cis	-164.3	141.9	-1.7	54.8	0	0	0	0	114.3
191	Q	27.9	Very low	28.6	Very low	182 Å²	182	134.7 Å²	134.7	85%	0.85	72%	0.715	S	S	*	*			trans	59	145.1	133.5	-68.2	177.1	-1.5	0	0	120.2
192	S	26.5	Very low	28.5	Very low	81 Å²	81	133.2 Å²	133.2	57%	0.566	71%	0.712	S	S	*	*			cis	-175.7	157.5	-8	47.4	0	0	0	0	111.4
193	Q	27	Very low	28.2	Very low	153 Å²	153	136.4 Å²	136.4	72%	0.715	72%	0.722	S	S	*	*			trans	72.9	126.5	147.8	-77.8	-178.8	-72.3	0	0	117.5
194	E	26.1	Very low	28.5	Very low	133 Å²	133	132.9 Å²	132.9	62%	0.621	72%	0.719	S	S	*	*				69.9	145.6	81	-69.7	179.1	162.6	0	0	112.4
195	H	27.9	Very low	28.6	Very low	167 Å²	167	133 Å²	133	77%	0.773	72%	0.72	S	S	*	*			cis	-168.1	170.1	15.3	-125.6	-12.6	0	0	0	109.1
196	V	27.2	Very low	28.9	Very low	121 Å²	121	134.6 Å²	134.6	73%	0.733	72%	0.722	S	S	*	*			trans	66.6	143.5	142.2	158.7	0	0	0	0	119.7
197	N	24.5	Very low	28.9	Very low	135 Å²	135	134.7 Å²	134.7	72%	0.722	72%	0.719	S	S	*	*			cis	-176.4	-179.1	-20.6	-150.9	-5.7	0	0	0	110.3
198	V	28.2	Very low	28.8	Very low	106 Å²	106	132.8 Å²	132.8	64%	0.642	71%	0.71	S	S	*	*			trans	73.6	110.7	146.7	167.3	0	0	0	0	121.2
199	T	27.6	Very low	28.9	Very low	109 Å²	109	132.5 Å²	132.5	67%	0.669	71%	0.708	S	S	*	*			trans	45.8	170.6	135.7	79.6	0	0	0	0	121.8
200	E	31.4	Very low	28.8	Very low	151 Å²	151	133.5 Å²	133.5	71%	0.706	71%	0.706	S	S	*	*			cis	-148.4	131.8	8	-130.9	134.4	-102.4	0	0	107.3
201	E	27.9	Very low	28.8	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.804	72%	0.715	S	S	*	*				81.4	155.8	89	-157.2	179.3	-117	0	0	116
202	I	32.3	Very low	28.8	Very low	139 Å²	139	133.5 Å²	133.5	71%	0.713	71%	0.705	S	S	*	*			trans	115.6	101.5	159	-61.1	174.9	0	0	0	116.7
203	L	30.2	Very low	28.9	Very low	161 Å²	161	137.4 Å²	137.4	84%	0.843	71%	0.711	S	S	*	*			trans	40.8	130.3	149.5	-79.6	63.5	0	0	0	120.6
204	G	32	Very low	29	Very low	67 Å²	67	136.3 Å²	136.3	69%	0.691	71%	0.71	S	S	*	*			cis	130.8	160.7	-8.4	0	0	0	0	0	115.1
205	N	31.6	Very low	29.2	Very low	143 Å²	143	137.5 Å²	137.5	77%	0.765	72%	0.715	S	S	*	*			trans	67.8	153.2	167.3	-73.2	-29	0	0	0	118.2
206	K	32.6	Very low	29.5	Very low	162 Å²	162	137.3 Å²	137.3	70%	0.704	71%	0.714	S	S	*	*			cis	-176.9	162.5	-28.4	-120.9	-175.9	-170.2	-177.7	0	109
207	N	30.5	Very low	29.9	Very low	118 Å²	118	137.5 Å²	137.5	63%	0.631	71%	0.711	S	S	*	*			trans	65.9	163.8	146.4	-77.2	37	0	0	0	119.9
208	E	29.4	Very low	30.3	Very low	137 Å²	137	140.1 Å²	140.1	64%	0.64	72%	0.719	S	S	*	*			cis	-171.6	134.7	-39.5	-115.7	-173.6	135.3	0	0	109.6
209	I	28.6	Very low	30.6	Very low	144 Å²	144	138.4 Å²	138.4	74%	0.738	72%	0.722	S	S	*	*			trans	65.9	167.8	152.2	-43.7	155.1	0	0	0	117.6
210	I	28.5	Very low	31	Very low	140 Å²	140	139.9 Å²	139.9	72%	0.718	73%	0.731	S	S	*	*			trans	97.6	91.8	159.2	-51.7	-175.7	0	0	0	118
211	L	27	Very low	31.1	Very low	148 Å²	148	139.2 Å²	139.2	78%	0.775	73%	0.733	S	S	*	*			trans	59.4	130	133.6	-94.4	70	0	0	0	123.1
212	D	26.6	Very low	31.3	Very low	117 Å²	117	137.1 Å²	137.1	63%	0.626	72%	0.723	S	S	*	*				50.8	128.8	127.8	-87	29.1	0	0	0	122.9
213	K	29.1	Very low	31.3	Very low	163 Å²	163	138.4 Å²	138.4	71%	0.709	72%	0.724	S	S	*	*			trans	91.3	120.1	137.7	-73	177	-175.3	92.8	0	121.9
214	L	29	Very low	31.4	Very low	130 Å²	130	137.3 Å²	137.3	68%	0.681	72%	0.718	S	S	*	*			trans	76	116.5	131.3	-57.4	169.4	0	0	0	121.4
215	E	31.7	Very low	31.5	Very low	157 Å²	157	139.9 Å²	139.9	73%	0.734	72%	0.716	S	S	*	*				73.9	132.3	122.1	-68.3	168.9	162.5	0	0	123.7
216	E	33.6	Very low	31.4	Very low	163 Å²	163	140.2 Å²	140.2	76%	0.762	71%	0.713	S	S	*	*			trans	97.9	124.6	131.6	-85.7	-175.3	176.4	0	0	125.7
217	L	35.1	Very low	31.4	Very low	125 Å²	125	138.2 Å²	138.2	65%	0.654	71%	0.714	S	S	*	*			trans	88.2	106.6	137.4	-62.9	165.1	0	0	0	125.5
218	E	33.6	Very low	31.4	Very low	190 Å²	190	138.4 Å²	138.4	89%	0.888	72%	0.72	S	S	*	*				61.1	143.8	124.1	-63	-176.3	157.5	0	0	125.7
219	G	35	Very low	31.5	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	73%	0.728	S	S	*	*			trans	-179.3	157.1	172.9	0	0	0	0	0	114.8
220	T	35.5	Very low	31.6	Very low	140 Å²	140	138.7 Å²	138.7	86%	0.859	73%	0.73	S	S	*	*			trans	-151.7	135.4	-159.7	63.3	0	0	0	0	120.2
221	D	33.5	Very low	31.9	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	73%	0.731	S	S	*	*			trans	80.7	138.8	132.5	-109.7	10.6	0	0	0	129.3
222	Q	32.5	Very low	32.1	Very low	128 Å²	128	139 Å²	139	60%	0.598	74%	0.735	S	S	*	*			trans	101.7	132.5	131.6	-91.3	173.2	59.8	0	0	127.5
223	K	32.5	Very low	32.1	Very low	166 Å²	166	139 Å²	139	72%	0.722	74%	0.738	S	S	*	*			trans	82.8	152.3	143.2	-75.9	169.2	172.3	147.2	0	121.1
224	L	32	Very low	32	Very low	137 Å²	137	138.1 Å²	138.1	72%	0.717	74%	0.741	S	S	*	*			cis	-173.4	161.7	-19.6	-166.4	61.9	0	0	0	112.6
225	D	32.5	Very low	31.9	Very low	121 Å²	121	137.2 Å²	137.2	65%	0.647	74%	0.74	S	S	*	*			trans	69.6	155.4	150.8	-96.8	23	0	0	0	121.5
226	Q	31.1	Very low	31.7	Very low	150 Å²	150	136.1 Å²	136.1	70%	0.701	74%	0.74	S	S	*	*			cis	-165.6	-164.5	-16.7	-139.6	-163	100	0	0	113.2
227	T	32.3	Very low	31.4	Very low	120 Å²	120	136 Å²	136	74%	0.736	74%	0.739	S	S	*	*			trans	76.6	171.2	156.8	42.2	0	0	0	0	122.8
228	T	31.1	Very low	31	Very low	123 Å²	123	136.6 Å²	136.6	76%	0.755	74%	0.74	S	S	*	*			trans	-159.4	-168.4	-147.4	57.6	0	0	0	0	114.6
229	I	29.8	Very low	30.8	Very low	157 Å²	157	132.5 Å²	132.5	81%	0.805	72%	0.719	S	S	*	*			trans	84.5	141.1	161.5	-99.8	152.4	0	0	0	116.4
230	V	30.6	Very low	30.4	Very low	130 Å²	130	133.6 Å²	133.6	79%	0.788	71%	0.712	S	S	*	*			cis	-165.4	172.8	-16.7	103.8	0	0	0	0	109.5
231	P	36.7	Very low	30	Very low	114 Å²	114	130.2 Å²	130.2	74%	0.74	69%	0.694	S	S	*	*			trans	-129.4	-164	-155.6	46.1	-30.3	0	0	0	117.7
232	E	30	Very low	29.6	Very low	181 Å²	181	130.3 Å²	130.3	85%	0.846	69%	0.694	S	S	*	*			trans	127.4	147.4	145.9	-143.9	179.6	-121.2	0	0	119.3
233	V	27.4	Very low	29.4	Very low	115 Å²	115	130.7 Å²	130.7	70%	0.697	70%	0.7	S	S	*	*			trans	93.3	112.2	158.7	-174.9	0	0	0	0	122.8
234	L	26.3	Very low	29.1	Very low	146 Å²	146	128.2 Å²	128.2	76%	0.764	70%	0.699	S	S	*	*			trans	53.5	109.3	146.5	-96.7	67.6	0	0	0	126.1
235	T	27.5	Very low	29.1	Very low	110 Å²	110	128.3 Å²	128.3	68%	0.675	70%	0.7	S	S	*	*				58.1	143.9	118.3	59.4	0	0	0	0	125.6
236	N	27.3	Very low	29.1	Very low	135 Å²	135	131.7 Å²	131.7	72%	0.722	71%	0.709	S	S	*	*			trans	87.6	95.7	148.7	-72.7	14.3	0	0	0	120.8
237	E	27.3	Very low	29.2	Very low	160 Å²	160	129.3 Å²	129.3	75%	0.748	71%	0.707	S	S	*	*				67.5	137.4	117.7	-94.2	-175.2	-151.7	0	0	122.9
238	M	26.4	Very low	29	Very low	137 Å²	137	128.6 Å²	128.6	68%	0.675	71%	0.707	S	S	*	*			trans	77.6	100.4	149.1	-68.5	-159.3	-169.9	0	0	122.2
239	K	28.6	Very low	28.9	Very low	104 Å²	104	127.5 Å²	127.5	45%	0.452	70%	0.704	S	S	.	*				108.7	131.2	106.4	-75.1	-176.3	176	-134	0	121.8	N635 I636	K239-N635 PolarHBondContact NZ-O 2.72Å; K239-I636 HydrophobicContact CB-CB 4.43Å; K239-I636 HydrophobicContact CB-CD1 4.14Å; K239-I636 HydrophobicContact CB-CG2 3.77Å; K239-I636 HydrophobicContact CD-CB 4.3Å; K239-I636 HydrophobicContact CD-CD1 3.59Å; K239-I636 HydrophobicContact CG-CB 3.82Å; K239-I636 HydrophobicContact CG-CD1 3.84Å; K239-I636 HydrophobicContact CG-CG1 4.4Å; K239-I636 HydrophobicContact CG-CG2 3.6Å
240	V	26.6	Very low	28.8	Very low	93 Å²	93	128.5 Å²	128.5	56%	0.564	71%	0.705	S	S	*	*			trans	102.4	120.6	144	-126.8	0	0	0	0	122.7	I636	V240-I636 HydrophobicContact CB-CD1 4.41Å; V240-I636 HydrophobicContact CB-CG2 4.38Å; V240-I636 HydrophobicContact CG1-CD1 3.91Å; V240-I636 HydrophobicContact CG1-CG1 3.91Å; V240-I636 HydrophobicContact CG1-CG2 4.48Å; V240-I636 HydrophobicContact CG2-CD1 3.97Å
241	S	27.1	Very low	28.7	Very low	69 Å²	69	129.1 Å²	129.1	48%	0.483	70%	0.703	S	S	.	*				81.2	125	129.2	51.7	0	0	0	0	125.4
242	L	26	Very low	28.2	Very low	141 Å²	141	128.6 Å²	128.6	74%	0.738	70%	0.702	S	S	*	*				79.7	108.7	126.5	-67.3	168.5	0	0	0	122.9
243	N	28.2	Very low	28.2	Very low	136 Å²	136	128.6 Å²	128.6	73%	0.727	70%	0.699	S	S	*	*				95.1	151.3	118.4	-84.9	6	0	0	0	124.8
244	T	27.4	Very low	28.4	Very low	114 Å²	114	131.1 Å²	131.1	70%	0.699	70%	0.704	S	S	*	*			trans	87.3	112.5	149.7	35.5	0	0	0	0	122.6
245	D	31.7	Very low	28.4	Very low	138 Å²	138	130.8 Å²	130.8	74%	0.738	70%	0.702	S	S	*	*			trans	79.1	105.4	132.4	-56.7	-23.5	0	0	0	124.7
246	K	31.3	Very low	28.4	Very low	193 Å²	193	132.5 Å²	132.5	84%	0.839	71%	0.706	S	S	*	*				31.7	159.4	111	-81.9	-167.4	173.9	-179.9	0	121.2
247	P	34.8	Very low	28.4	Very low	100 Å²	100	134 Å²	134	65%	0.649	71%	0.709	S	S	*	*			cis	-147.1	-175.8	-31	41.5	-22.7	0	0	0	116.3
248	S	27.7	Very low	28.5	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	71%	0.708	S	S	*	*			trans	89.1	154.3	136	74.6	0	0	0	0	124.4
249	S	27.7	Very low	28.7	Very low	99 Å²	99	132 Å²	132	69%	0.692	72%	0.715	S	S	*	*			trans	89.3	119	160	69.1	0	0	0	0	121.8
250	E	29.1	Very low	28.8	Very low	179 Å²	179	135.3 Å²	135.3	84%	0.836	73%	0.732	S	S	*	*			trans	64.5	153.5	132.2	-67.2	-179.9	-169.3	0	0	122.5
251	L	26.8	Very low	29	Very low	143 Å²	143	137.9 Å²	137.9	75%	0.749	74%	0.741	S	S	*	*			cis	-171.1	139.9	-27.1	-170.6	81.9	0	0	0	110.2
252	S	28	Very low	29.1	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	76%	0.755	S	S	*	*			trans	66	168.3	158.9	83.2	0	0	0	0	118.1
253	K	29.5	Very low	29.4	Very low	180 Å²	180	139 Å²	139	78%	0.783	75%	0.753	S	S	*	*			cis	-166.2	171.8	-25.7	-112.4	179.9	179	-178.8	0	108.9
254	Q	31.2	Very low	29.6	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	75%	0.745	S	S	*	*			trans	69.3	154.9	157.2	-74.9	162.2	-27.8	0	0	119.6
255	D	26.8	Very low	29.8	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	74%	0.743	S	S	*	*			cis	-171.2	169.1	-39.2	-118.2	-51.3	0	0	0	113
256	I	27.8	Very low	29.7	Very low	146 Å²	146	133 Å²	133	75%	0.749	72%	0.72	S	S	*	*			trans	86.4	-158.7	154.5	-77.7	164.2	0	0	0	119.6
257	Q	26.7	Very low	29.6	Very low	168 Å²	168	126.3 Å²	126.3	79%	0.785	70%	0.698	S	S	*	*			trans	-151.9	173.1	-132.7	-69.7	-172.8	39.6	0	0	113.6
258	V	29.8	Very low	29.3	Very low	119 Å²	119	127.3 Å²	127.3	72%	0.721	70%	0.697	S	S	*	*			cis	-172.9	-178	-14.6	144.8	0	0	0	0	108.5
259	T	30	Very low	29.4	Very low	135 Å²	135	125.8 Å²	125.8	83%	0.828	69%	0.687	S	S	*	*			trans	110.3	177.7	156.5	-16.2	0	0	0	0	118.7
260	E	30.4	Very low	29.4	Very low	173 Å²	173	126.9 Å²	126.9	81%	0.808	69%	0.689	S	S	*	*			trans	-119.1	-137.8	-164.6	-51.8	-174.3	69.4	0	0	113.6
261	I	30.9	Very low	29.4	Very low	147 Å²	147	123.4 Å²	123.4	75%	0.754	68%	0.681	S	S	*	*			cis	-156.9	-169.3	15.6	-153.4	160.2	0	0	0	113
262	L	29.4	Very low	29.3	Very low	149 Å²	149	121.5 Å²	121.5	78%	0.78	67%	0.671	S	S	*	*			trans	-66.5	152.5	-175.8	-84.9	65.8	0	0	0	115.1
263	A	31.6	Very low	29.3	Very low	85 Å²	85	124.5 Å²	124.5	70%	0.702	67%	0.673	S	S	*	*			cis	-158.5	-151.4	-5.1	0	0	0	0	0	108.3
264	D	32.5	Very low	29.3	Very low	102 Å²	102	120.2 Å²	120.2	55%	0.545	67%	0.666	S	S	.	*			cis	-163.6	-139.7	8.3	-161.7	74.8	0	0	0	110.3	V299	D264-V299 WeakPolarHBondContact OD1-CG2 3.26Å
265	T	31.8	Very low	29.2	Very low	109 Å²	109	119.8 Å²	119.8	67%	0.669	67%	0.669	S	S	*	*			trans	91.3	148.3	163.6	78.7	0	0	0	0	119.9
266	I	30.6	Very low	29.2	Very low	50 Å²	50	118 Å²	118	26%	0.256	67%	0.668	S	S	.	*			trans	-165.5	121	-142.7	-148.1	164.3	0	0	0	115	R296 V299	I266-R296 HydrophobicContact CB-CG 4.18Å; I266-R296 HydrophobicContact CD1-CG 4.47Å; I266-R296 HydrophobicContact CG1-CB 4.26Å; I266-R296 HydrophobicContact CG1-CG 3.63Å; I266-R296 HydrophobicContact CG2-CG 4.13Å; I266-R296 PolarHBondContact O-NE 3.42Å; I266-R296 PolarHBondContact O-NH2 3.31Å; I266-V299 HydrophobicContact CD1-CB 4.1Å; I266-V299 HydrophobicContact CD1-CG2 3.9Å
267	S	27.9	Very low	29.2	Very low	53 Å²	53	117.8 Å²	117.8	37%	0.371	67%	0.668	S	S	.	*			trans	-170.9	128.4	173.9	-89.3	0	0	0	0	116.5	T294 N295 R296	S267-T294 CarbonylContact O-C 2.99Å; S267-N295 WeakPolarHBondContact O-CA 3.49Å; S267-N295 PolarHBondContact O-OD1 2.94Å; S267-R296 VanDerWaalsContact OG-CZ 3.3Å; S267-R296 PolarHBondContact OG-NH2 3.22Å
268	L	29.1	Very low	29.4	Very low	121 Å²	121	116 Å²	116	63%	0.634	67%	0.669	S	S	*	*			trans	-81.2	151	-174.5	-108.2	164.6	0	0	0	116.9	N295 R296	L268-N295 WeakPolarHBondContact CA-OD1 2.98Å; L268-N295 HydrophobicContact CD2-CB 3.94Å; L268-N295 HydrophobicContact CG-CB 4.22Å; L268-R296 HydrophobicContact CB-CB 4.37Å; L268-R296 HydrophobicContact CD1-CB 4.21Å; L268-R296 VanDerWaalsContact CD1-O 3.25Å; L268-R296 WeakPolarHBondContact CD1-O 3.38Å; L268-R296 HydrophobicContact CG-CB 4.18Å; L268-R296 WeakPolarHBondContact CG-O 3.34Å
269	S	29.6	Very low	29.2	Very low	73 Å²	73	115.7 Å²	115.7	51%	0.51	67%	0.672	S	S	.	*			trans	-153.4	165.6	-172.5	61.1	0	0	0	0	114.8	N295	S269-N295 WeakPolarHBondContact CB-OD1 3.03Å; S269-N295 PolarHBondContact N-OD1 2.03Å; S269-N295 PolarHBondContact OG-ND2 3.01Å; S269-N295 VanDerWaalsContact OG-ND2 3.1Å; S269-N295 PolarHBondContact OG-OD1 2.88Å
270	T	28.2	Very low	29.1	Very low	122 Å²	122	112.9 Å²	112.9	75%	0.748	66%	0.662	S	S	*	*			trans	-152	169.4	-166.6	63.8	0	0	0	0	117.2
271	T	28	Very low	29	Very low	107 Å²	107	110.3 Å²	110.3	66%	0.656	65%	0.65	S	S	*	*			trans	65.1	152.2	154.6	51.5	0	0	0	0	120.4
272	L	25.9	Very low	28.8	Very low	103 Å²	103	108.7 Å²	108.7	54%	0.539	64%	0.639	S	S	.	*			cis	-166.4	151	-12.3	-109.3	165.8	0	0	0	110.9	K655	L272-K655 HydrophobicContact CD2-CD 4.12Å
273	Q	27.2	Very low	28.8	Very low	165 Å²	165	107.3 Å²	107.3	77%	0.771	63%	0.627	S	S	*	*			trans	58.5	152.1	154.1	-78.9	155.5	-35.9	0	0	120
274	S	29.8	Very low	28.7	Very low	90 Å²	90	106.4 Å²	106.4	63%	0.629	61%	0.613	S	S	*	*			cis	-161.5	146.9	-3.1	46.1	0	0	0	0	111.6
275	D	28.6	Very low	28.5	Very low	160 Å²	160	104.8 Å²	104.8	86%	0.856	61%	0.609	S	S	*	*			trans	46.5	137.6	141.8	-48.5	-27.2	0	0	0	121.2
276	S	28.5	Very low	28.3	Very low	102 Å²	102	106.3 Å²	106.3	71%	0.713	61%	0.612	S	S	*	*			cis	-161.4	149.1	9.8	55	0	0	0	0	114.9
277	N	27.6	Very low	28.1	Very low	140 Å²	140	107.3 Å²	107.3	75%	0.749	62%	0.617	S	S	*	*			trans	62.5	106.2	147.4	-65.3	-5.2	0	0	0	123.7
278	T	29.2	Very low	27.9	Very low	130 Å²	130	111.4 Å²	111.4	80%	0.798	63%	0.628	S	S	*	*			trans	59.5	134.2	130.7	59.3	0	0	0	0	121.6
279	S	26.4	Very low	27.7	Very low	114 Å²	114	111.1 Å²	111.1	80%	0.797	63%	0.627	S	S	*	*			cis	-168.4	140	-7.7	49.3	0	0	0	0	111.3
280	A	27.9	Very low	27.7	Very low	75 Å²	75	112.8 Å²	112.8	62%	0.62	63%	0.634	S	S	*	*			trans	-153.4	172.9	177.1	0	0	0	0	0	108.4
281	H	27.7	Very low	27.6	Very low	120 Å²	120	112.3 Å²	112.3	56%	0.556	64%	0.635	S	S	*	*			cis	-115	-168.7	12.4	-98	-98	0	0	0	111	E1397	H281-E1397 WeakPolarHBondContact O-CB 3.45Å
282	E	28.4	Very low	27.6	Very low	112 Å²	112	114.1 Å²	114.1	52%	0.523	64%	0.639	S	S	.	*			cis	102.6	-141.6	25.8	-130.4	-165	173.1	0	0	121.6	L1396 E1397	E282-L1396 WeakPolarHBondContact O-CB 3.24Å; E282-E1397 WeakPolarHBondContact CA-OE2 3.32Å; E282-E1397 VanDerWaalsContact N-CB 3.31Å; E282-E1397 PolarHBondContact N-OE2 3.07Å; E282-E1397 WeakPolarHBondContact O-CB 3.18Å; E282-E1397 VanDerWaalsContact O-CG 3.25Å; E282-E1397 WeakPolarHBondContact O-CG 3.13Å
283	K	29.4	Very low	27.6	Very low	121 Å²	121	114.5 Å²	114.5	53%	0.526	65%	0.651	S	S	.	*			trans	-152.7	146.5	-153.7	-120.8	82.3	163.7	172.6	0	120.3	K1395 L1396 E1397	K283-K1395 VanDerWaalsContact CE-O 3.27Å; K283-K1395 WeakPolarHBondContact CE-O 3.36Å; K283-L1396 HydrophobicContact CD-CB 4.31Å; K283-L1396 WeakPolarHBondContact CD-O 3.37Å; K283-L1396 VanDerWaalsContact CE-O 3.24Å; K283-L1396 WeakPolarHBondContact CE-O 3.17Å; K283-L1396 HydrophobicContact CG-CB 4.36Å; K283-L1396 PolarHBondContact NZ-O 3.02Å; K283-E1397 PolarHBondContact NZ-O 3.45Å
284	T	27.7	Very low	27.5	Very low	66 Å²	66	109.6 Å²	109.6	41%	0.405	63%	0.632	S	S	.	*			trans	57	113.2	137.3	-66.1	0	0	0	0	124.1	K1395	T284-K1395 WeakPolarHBondContact OG1-CB 3.33Å
285	S	28.7	Very low	27.5	Very low	67 Å²	67	107.9 Å²	107.9	47%	0.469	62%	0.616	S	S	.	*			trans	61.3	122.6	143.1	-85.7	0	0	0	0	123.3	K1395	S285-K1395 WeakPolarHBondContact OG-CE 3.4Å; S285-K1395 PolarHBondContact OG-NZ 3.18Å
286	I	28.5	Very low	27.5	Very low	142 Å²	142	106.7 Å²	106.7	73%	0.728	60%	0.599	S	S	*	*			trans	49.5	124.5	135	-32.3	169	0	0	0	119.3
287	I	25.9	Very low	27.5	Very low	71 Å²	71	106.3 Å²	106.3	36%	0.364	59%	0.586	S	S	.	*				150.9	120.9	123.5	-71.5	167.1	0	0	0	111.6	T646 T647 R648	I287-T646 HydrophobicContact CD1-CG2 4.3Å; I287-T647 HydrophobicContact CB-CG2 4.29Å; I287-T647 HydrophobicContact CG2-CG2 3.45Å; I287-T647 VanDerWaalsContact CG2-CG2 3.45Å; I287-R648 PolarHBondContact O-N 2.75Å
288	K	24.4	Very low	27.5	Very low	139 Å²	139	102.5 Å²	102.5	60%	0.604	57%	0.569	S	S	*	*			trans	65.8	120.1	155	-73.8	170.9	-178	179.7	0	123.3	T647 R648	K288-T647 HydrophobicContact CD-CG2 4.37Å; K288-R648 WeakPolarHBondContact O-CG 3.48Å
289	L	24	Very low	27.5	Very low	114 Å²	114	99.3 Å²	99.3	60%	0.597	55%	0.549	S	S	*	.				61.8	98.3	122	-62.9	167.9	0	0	0	121.3	R648	L289-R648 PolarHBondContact O-NH2 2.81Å
290	V	30.2	Very low	27.6	Very low	109 Å²	109	99.3 Å²	99.3	66%	0.661	54%	0.537	S	S	*	.				56.6	114.1	115.4	179.8	0	0	0	0	119.2	I292	V290-I292 HydrophobicContact CG1-CD1 3.96Å; V290-I292 HydrophobicContact CG1-CG1 3.82Å
291	S	25.6	Very low	27.7	Very low	111 Å²	111	103.7 Å²	103.7	78%	0.776	54%	0.537	S	S	*	.			trans	-148.4	106.3	133	49.3	0	0	0	0	107.3
292	I	27.7	Very low	27.9	Very low	146 Å²	146	101.5 Å²	101.5	75%	0.749	53%	0.532	S	S	*	.				37.4	93.8	85.5	-52.5	176.3	0	0	0	112.3	V290	V290-I292 HydrophobicContact CG1-CD1 3.96Å; V290-I292 HydrophobicContact CG1-CG1 3.82Å
293	S	26.1	Very low	28	Very low	111 Å²	111	104.5 Å²	104.5	78%	0.776	54%	0.54	S	S	*	.				-132.4	135.9	123	78.1	0	0	0	0	110.9
294	T	26	Very low	28.1	Very low	62 Å²	62	104 Å²	104	38%	0.38	54%	0.54	S	S	.	.			trans	-35.6	136.4	175.5	51	0	0	0	0	115.5	S267	S267-T294 CarbonylContact O-C 2.99Å
295	N	28.3	Very low	28.4	Very low	53 Å²	53	108.5 Å²	108.5	28%	0.283	55%	0.549	S	S	.	.			trans	-151.6	120.7	148.8	-91.8	-10.4	0	0	0	109.7	S267 L268 S269 Q297 P298	S267-N295 WeakPolarHBondContact O-CA 3.49Å; S267-N295 PolarHBondContact O-OD1 2.94Å; L268-N295 WeakPolarHBondContact CA-OD1 2.98Å; L268-N295 HydrophobicContact CD2-CB 3.94Å; L268-N295 HydrophobicContact CG-CB 4.22Å; S269-N295 WeakPolarHBondContact CB-OD1 3.03Å; S269-N295 PolarHBondContact N-OD1 2.03Å; S269-N295 PolarHBondContact OG-ND2 3.01Å; S269-N295 VanDerWaalsContact OG-ND2 3.1Å; S269-N295 PolarHBondContact OG-OD1 2.88Å; N295-Q297 PolarHBondContact O-N 3.32Å; N295-P298 VanDerWaalsContact O-CD 3.27Å; N295-P298 WeakPolarHBondContact O-CD 3.4Å; N295-P298 WeakPolarHBondContact O-CG 3.23Å
296	R	28.5	Very low	28.6	Very low	136 Å²	136	109.9 Å²	109.9	51%	0.513	55%	0.551	S	S	.	*	S	Bend	trans	-47	126.5	177.3	-86.6	157.9	-161.7	173.8	7.2	109.1	I266 S267 L268	I266-R296 HydrophobicContact CB-CG 4.18Å; I266-R296 HydrophobicContact CD1-CG 4.47Å; I266-R296 HydrophobicContact CG1-CB 4.26Å; I266-R296 HydrophobicContact CG1-CG 3.63Å; I266-R296 HydrophobicContact CG2-CG 4.13Å; I266-R296 PolarHBondContact O-NE 3.42Å; I266-R296 PolarHBondContact O-NH2 3.31Å; S267-R296 VanDerWaalsContact OG-CZ 3.3Å; S267-R296 PolarHBondContact OG-NH2 3.22Å; L268-R296 HydrophobicContact CB-CB 4.37Å; L268-R296 HydrophobicContact CD1-CB 4.21Å; L268-R296 VanDerWaalsContact CD1-O 3.25Å; L268-R296 WeakPolarHBondContact CD1-O 3.38Å; L268-R296 HydrophobicContact CG-CB 4.18Å; L268-R296 WeakPolarHBondContact CG-O 3.34Å
297	Q	29	Very low	29.1	Very low	94 Å²	94	106.1 Å²	106.1	44%	0.439	54%	0.535	S	S	.	.			cis	-138.7	71.2	30.2	-56.3	146.3	-92.4	0	0	114.1	N295 V299 E300 R301	N295-Q297 PolarHBondContact O-N 3.32Å; Q297-V299 PolarHBondContact O-N 3.22Å; Q297-E300 HydrophobicContact CB-CB 4.3Å; Q297-E300 WeakPolarHBondContact CB-OE2 3.47Å; Q297-E300 WeakPolarHBondContact CG-OE2 3.46Å; Q297-E300 PolarHBondContact NE2-OE2 3.4Å; Q297-R301 PolarHBondContact O-N 3.02Å
298	P	28	Very low	30.1	Very low	59 Å²	59	104.6 Å²	104.6	38%	0.383	53%	0.527	S	S	.	.	H	α-helix	trans	-75.1	-23.2	-173	-18.1	35.4	0	0	0	114.6	N295 R301 T302	N295-P298 VanDerWaalsContact O-CD 3.27Å; N295-P298 WeakPolarHBondContact O-CD 3.4Å; N295-P298 WeakPolarHBondContact O-CG 3.23Å; P298-R301 CarbonylContact O-C 2.88Å; P298-R301 PolarHBondContact O-N 3.39Å; P298-T302 VanDerWaalsContact O-CB 3.27Å; P298-T302 WeakPolarHBondContact O-CB 3.48Å; P298-T302 PolarHBondContact O-N 3.27Å; P298-T302 PolarHBondContact O-OG1 2.92Å
299	V	28.6	Very low	31.3	Very low	63 Å²	63	100.3 Å²	100.3	38%	0.382	51%	0.51	S	S	.	.	H	α-helix	trans	-71	-46.2	176.8	179.5	0	0	0	0	110.3	D264 I266 Q297 R301 T302 Y303	D264-V299 WeakPolarHBondContact OD1-CG2 3.26Å; I266-V299 HydrophobicContact CD1-CB 4.1Å; I266-V299 HydrophobicContact CD1-CG2 3.9Å; Q297-V299 PolarHBondContact O-N 3.22Å; V299-R301 VanDerWaalsContact C-N 3.34Å; V299-R301 PolarHBondContact O-N 3.02Å; V299-T302 PolarHBondContact O-N 3.49Å; V299-Y303 WeakPolarHBondContact O-CB 3.33Å; V299-Y303 PolarHBondContact O-N 3.38Å
300	E	30	Very low	32.4	Very low	114 Å²	114	98.9 Å²	98.9	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-57.5	-47.8	167.4	-73.6	178.5	123.3	0	0	110.2	Q297 T302 Y303 E304	Q297-E300 HydrophobicContact CB-CB 4.3Å; Q297-E300 WeakPolarHBondContact CB-OE2 3.47Å; Q297-E300 WeakPolarHBondContact CG-OE2 3.46Å; Q297-E300 PolarHBondContact NE2-OE2 3.4Å; E300-T302 VanDerWaalsContact C-N 3.3Å; E300-T302 PolarHBondContact O-N 3.09Å; E300-Y303 PolarHBondContact O-N 3.48Å; E300-E304 WeakPolarHBondContact O-CA 3.42Å; E300-E304 WeakPolarHBondContact O-CB 3.47Å; E300-E304 WeakPolarHBondContact O-CG 3.12Å; E300-E304 PolarHBondContact O-N 3.01Å
301	R	30.1	Very low	33.7	Very low	167 Å²	167	96.4 Å²	96.4	63%	0.63	48%	0.481	S	S	*	.	H	α-helix	trans	-66.3	-23.4	179.3	-71.6	-172.7	-172.5	176.7	5.5	115.4	Q297 P298 V299 R305	Q297-R301 PolarHBondContact O-N 3.02Å; P298-R301 CarbonylContact O-C 2.88Å; P298-R301 PolarHBondContact O-N 3.39Å; V299-R301 VanDerWaalsContact C-N 3.34Å; V299-R301 PolarHBondContact O-N 3.02Å; R301-R305 WeakPolarHBondContact O-CB 3.26Å; R301-R305 PolarHBondContact O-N 3.36Å
302	T	30.6	Very low	35.5	Very low	74 Å²	74	91.4 Å²	91.4	45%	0.454	45%	0.446	S	S	.	.	H	α-helix	trans	-94.6	-32.3	-179.8	-50.6	0	0	0	0	111.3	P298 V299 E300 R305 N306	P298-T302 VanDerWaalsContact O-CB 3.27Å; P298-T302 WeakPolarHBondContact O-CB 3.48Å; P298-T302 PolarHBondContact O-N 3.27Å; P298-T302 PolarHBondContact O-OG1 2.92Å; V299-T302 PolarHBondContact O-N 3.49Å; E300-T302 VanDerWaalsContact C-N 3.3Å; E300-T302 PolarHBondContact O-N 3.09Å; T302-R305 PolarHBondContact O-N 2.79Å; T302-N306 WeakPolarHBondContact O-CB 3.39Å; T302-N306 PolarHBondContact O-N 2.95Å
303	Y	30.7	Very low	36.4	Very low	175 Å²	175	89.1 Å²	89.1	69%	0.686	43%	0.429	S	S	*	.	H	α-helix	trans	-63.9	-45.3	163	-166.7	-99.7	0	0	0	110	V299 E300 R305 N306 V307	V299-Y303 WeakPolarHBondContact O-CB 3.33Å; V299-Y303 PolarHBondContact O-N 3.38Å; E300-Y303 PolarHBondContact O-N 3.48Å; Y303-R305 VanDerWaalsContact C-N 3.35Å; Y303-R305 PolarHBondContact O-N 3.3Å; Y303-N306 PolarHBondContact O-N 2.88Å; Y303-V307 HydrophobicContact CD1-CG2 4.02Å; Y303-V307 HydrophobicContact CE1-CG2 3.91Å; Y303-V307 WeakPolarHBondContact O-CB 3.36Å; Y303-V307 WeakPolarHBondContact O-CG2 3.37Å; Y303-V307 PolarHBondContact O-N 2.77Å
304	E	32.2	Very low	37.6	Very low	111 Å²	111	89 Å²	89	52%	0.519	42%	0.415	S	S	.	.	H	α-helix	trans	-57.8	-42.9	168.2	-77.3	179.7	137.2	0	0	111.3	E300 V307 L308	E300-E304 WeakPolarHBondContact O-CA 3.42Å; E300-E304 WeakPolarHBondContact O-CB 3.47Å; E300-E304 WeakPolarHBondContact O-CG 3.12Å; E300-E304 PolarHBondContact O-N 3.01Å; E304-V307 CarbonylContact O-C 3.42Å; E304-V307 PolarHBondContact O-N 3.42Å; E304-L308 WeakPolarHBondContact O-CA 3.32Å; E304-L308 WeakPolarHBondContact O-CB 3.28Å; E304-L308 WeakPolarHBondContact O-CD1 3.22Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 2.92Å
305	R	33.4	Very low	38.3	Very low	160 Å²	160	93.1 Å²	93.1	60%	0.604	43%	0.425	S	S	*	.	H	α-helix	trans	-66.5	-37.4	178.8	-158.1	172	-145.2	152.6	3.3	112.4	R301 T302 Y303 L308 I309	R301-R305 WeakPolarHBondContact O-CB 3.26Å; R301-R305 PolarHBondContact O-N 3.36Å; T302-R305 PolarHBondContact O-N 2.79Å; Y303-R305 VanDerWaalsContact C-N 3.35Å; Y303-R305 PolarHBondContact O-N 3.3Å; R305-L308 CarbonylContact O-C 3.46Å; R305-L308 WeakPolarHBondContact O-CB 3.33Å; R305-L308 PolarHBondContact O-N 2.96Å; R305-I309 WeakPolarHBondContact O-CD1 3.31Å; R305-I309 VanDerWaalsContact O-CG1 3.25Å; R305-I309 WeakPolarHBondContact O-CG1 3.06Å; R305-I309 PolarHBondContact O-N 3.05Å
306	N	34	Very low	38.8	Very low	97 Å²	97	92.5 Å²	92.5	52%	0.519	42%	0.424	S	S	.	.	H	α-helix	trans	-76.5	-34.7	175.6	-70.9	-13	0	0	0	111.9	T302 Y303 L308 I309 E310	T302-N306 WeakPolarHBondContact O-CB 3.39Å; T302-N306 PolarHBondContact O-N 2.95Å; Y303-N306 PolarHBondContact O-N 2.88Å; N306-L308 VanDerWaalsContact C-N 3.32Å; N306-I309 PolarHBondContact O-N 2.97Å; N306-E310 PolarHBondContact O-N 3.43Å
307	V	38	Very low	39.7	Very low	62 Å²	62	92.6 Å²	92.6	38%	0.376	43%	0.428	S	S	.	.	H	α-helix	trans	-67.9	-31.7	168.9	168.6	0	0	0	0	111	Y303 E304 E310 K311	Y303-V307 HydrophobicContact CD1-CG2 4.02Å; Y303-V307 HydrophobicContact CE1-CG2 3.91Å; Y303-V307 WeakPolarHBondContact O-CB 3.36Å; Y303-V307 WeakPolarHBondContact O-CG2 3.37Å; Y303-V307 PolarHBondContact O-N 2.77Å; E304-V307 CarbonylContact O-C 3.42Å; E304-V307 PolarHBondContact O-N 3.42Å; V307-E310 PolarHBondContact O-N 3.11Å; V307-K311 WeakPolarHBondContact O-CG 3.38Å; V307-K311 PolarHBondContact O-N 2.83Å; V307-K311 VanDerWaalsContact O-N 3.14Å
308	L	46.6	Very low	40.6	Very low	39 Å²	39	91.7 Å²	91.7	20%	0.204	43%	0.425	C	S	.	.	H	α-helix	trans	-66.8	-40.5	169.4	-87.3	157.5	0	0	0	111.1	E304 R305 N306 K311 F426 T435	E304-L308 WeakPolarHBondContact O-CA 3.32Å; E304-L308 WeakPolarHBondContact O-CB 3.28Å; E304-L308 WeakPolarHBondContact O-CD1 3.22Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 2.92Å; R305-L308 CarbonylContact O-C 3.46Å; R305-L308 WeakPolarHBondContact O-CB 3.33Å; R305-L308 PolarHBondContact O-N 2.96Å; N306-L308 VanDerWaalsContact C-N 3.32Å; L308-K311 HydrophobicContact CD2-CD 3.96Å; L308-K311 HydrophobicContact CG-CD 4.48Å; L308-K311 WeakPolarHBondContact O-CB 3.4Å; L308-K311 WeakPolarHBondContact O-CG 3.27Å; L308-K311 PolarHBondContact O-N 3.3Å; L308-K311 VanDerWaalsContact O-N 3.15Å; L308-F426 HydrophobicContact CD2-CE1 4.25Å; L308-T435 HydrophobicContact CB-CG2 3.75Å; L308-T435 HydrophobicContact CD2-CG2 4.12Å; L308-T435 WeakPolarHBondContact O-CG2 3.25Å
309	I	49	Very low	41.7	Very low	49 Å²	49	94.9 Å²	94.9	25%	0.251	43%	0.433	S	S	.	.	H	α-helix	trans	-69.5	-37	172.6	-70.1	160.7	0	0	0	111.1	R305 N306 K311 C312 L439	R305-I309 WeakPolarHBondContact O-CD1 3.31Å; R305-I309 VanDerWaalsContact O-CG1 3.25Å; R305-I309 WeakPolarHBondContact O-CG1 3.06Å; R305-I309 PolarHBondContact O-N 3.05Å; N306-I309 PolarHBondContact O-N 2.97Å; I309-K311 PolarHBondContact O-N 2.88Å; I309-C312 VanDerWaalsContact O-CB 3.27Å; I309-C312 WeakPolarHBondContact O-CB 3.44Å; I309-C312 PolarHBondContact O-N 2.72Å; I309-C312 PolarHBondContact O-SG 3.11Å; I309-L439 HydrophobicContact CD1-CD1 4.19Å
310	E	48.9	Very low	42.9	Very low	85 Å²	85	96.9 Å²	96.9	40%	0.397	44%	0.441	S	S	.	.	H	α-helix	trans	-58.6	-32.9	168.3	-87.9	-147.3	-178.6	0	0	111.7	N306 V307 C312 Y313 Q314	N306-E310 PolarHBondContact O-N 3.43Å; V307-E310 PolarHBondContact O-N 3.11Å; E310-C312 PolarHBondContact O-N 2.98Å; E310-Y313 PolarHBondContact O-N 3.01Å; E310-Q314 HydrophobicContact CB-CG 4.42Å; E310-Q314 PolarHBondContact O-N 3.34Å; E310-Q314 PolarHBondContact OE2-NE2 3.1Å
311	K	56.4	Low	44	Very low	57 Å²	57	91.7 Å²	91.7	25%	0.248	42%	0.417	C	S	.	.	H	α-helix	trans	-58.8	-28.6	173.8	-48.9	-172.7	-164.2	166.4	0	112	V307 L308 I309 Y313 A423 N424 F426	V307-K311 WeakPolarHBondContact O-CG 3.38Å; V307-K311 PolarHBondContact O-N 2.83Å; V307-K311 VanDerWaalsContact O-N 3.14Å; L308-K311 HydrophobicContact CD2-CD 3.96Å; L308-K311 HydrophobicContact CG-CD 4.48Å; L308-K311 WeakPolarHBondContact O-CB 3.4Å; L308-K311 WeakPolarHBondContact O-CG 3.27Å; L308-K311 PolarHBondContact O-N 3.3Å; L308-K311 VanDerWaalsContact O-N 3.15Å; I309-K311 PolarHBondContact O-N 2.88Å; K311-Y313 PolarHBondContact O-N 3.19Å; K311-A423 HydrophobicContact CB-CB 3.97Å; K311-A423 WeakPolarHBondContact CB-O 3.33Å; K311-A423 HydrophobicContact CD-CB 4.04Å; K311-A423 WeakPolarHBondContact CD-O 3.38Å; K311-A423 HydrophobicContact CG-CB 3.58Å; K311-N424 WeakPolarHBondContact O-CA 3.49Å; K311-N424 WeakPolarHBondContact O-CB 3.41Å; K311-N424 VanDerWaalsContact O-CG 3.29Å; K311-N424 PolarHBondContact O-N 2.03Å; K311-F426 HydrophobicContact CB-CZ 4.4Å
312	C	62.8	Low	45.1	Very low	5 Å²	5	89.8 Å²	89.8	3%	0.034	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.3	175.7	-45.5	0	0	0	0	113	I309 E310 F404 C436	I309-C312 VanDerWaalsContact O-CB 3.27Å; I309-C312 WeakPolarHBondContact O-CB 3.44Å; I309-C312 PolarHBondContact O-N 2.72Å; I309-C312 PolarHBondContact O-SG 3.11Å; E310-C312 PolarHBondContact O-N 2.98Å; C312-F404 HydrophobicContact CB-CD1 4.09Å; C312-C436 HydrophobicContact CB-CB 4.04Å; C312-C436 WeakPolarHBondContact CB-SG 2.98Å; C312-C436 WeakPolarHBondContact SG-CB 3Å; C312-C436 CovalentContact SG-SG 2.04Å; C312-C436 PolarHBondContact SG-SG 2.87Å
313	Y	48	Very low	46.1	Very low	99 Å²	99	93.3 Å²	93.3	39%	0.388	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-16.2	-154.9	-79.2	-65.5	0	0	0	120.6	E310 K311 Y315 I440	E310-Y313 PolarHBondContact O-N 3.01Å; K311-Y313 PolarHBondContact O-N 3.19Å; Y313-Y315 WeakPolarHBondContact O-CD2 3.33Å; Y313-Y315 PolarHBondContact O-N 3.03Å; Y313-I440 HydrophobicContact CE2-CD1 4.08Å; Y313-I440 WeakPolarHBondContact OH-CD1 3.44Å; Y313-I440 VanDerWaalsContact OH-CG1 3.31Å; Y313-I440 WeakPolarHBondContact OH-CG1 3.42Å
314	Q	49.9	Very low	46.7	Very low	107 Å²	107	92 Å²	92	50%	0.5	43%	0.432	S	S	.	.			trans	-52.7	122.9	-166.1	-77.4	172.1	-11.6	0	0	116.7	E310	E310-Q314 HydrophobicContact CB-CG 4.42Å; E310-Q314 PolarHBondContact O-N 3.34Å; E310-Q314 PolarHBondContact OE2-NE2 3.1Å
315	Y	40.5	Very low	47.5	Very low	150 Å²	150	91.8 Å²	91.8	59%	0.588	44%	0.439	S	S	*	.			trans	-106.9	162.4	170.4	-73.2	-91	0	0	0	111.2	Y313 K317 K406	Y313-Y315 WeakPolarHBondContact O-CD2 3.33Å; Y313-Y315 PolarHBondContact O-N 3.03Å; Y315-K317 PolarHBondContact O-N 3.15Å; Y315-K406 PolarHBondContact OH-NZ 2.84Å
316	P	39.8	Very low	48.3	Very low	39 Å²	39	85.6 Å²	85.6	25%	0.253	42%	0.418	S	S	.	.			trans	-62.6	130	163.6	28.5	-35.1	0	0	0	110.7	I318 P339 L377	P316-I318 PolarHBondContact O-N 3.08Å; P316-P339 HydrophobicContact CG-CG 4.47Å; P316-L377 HydrophobicContact CB-CD2 3.96Å; P316-L377 HydrophobicContact CG-CD2 3.81Å
317	K	46.6	Very low	48.4	Very low	139 Å²	139	85.1 Å²	85.1	60%	0.604	41%	0.414	S	S	*	.			trans	-83.9	103.9	-176.8	-64.9	-177.4	179.8	-179.4	0	110.7	Y315 N353	Y315-K317 PolarHBondContact O-N 3.15Å; K317-N353 PolarHBondContact O-ND2 2.85Å
318	I	48	Very low	48.8	Very low	74 Å²	74	88.1 Å²	88.1	38%	0.379	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	148.3	166.8	-52.1	-179.5	0	0	0	108.4	P316 D349 I351	P316-I318 PolarHBondContact O-N 3.08Å; I318-D349 HydrophobicContact CG2-CB 3.76Å; I318-I351 HydrophobicContact CD1-CD1 4.46Å; I318-I351 HydrophobicContact CG1-CD1 4.3Å; I318-I351 HydrophobicContact CG1-CG1 4.15Å; I318-I351 HydrophobicContact CG2-CG1 4.12Å
319	K	52.8	Low	49.1	Very low	126 Å²	126	89.2 Å²	89.2	55%	0.548	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.8	170.7	-70.6	-163.9	-174.3	174.6	0	112.4	C321 C350 I352	K319-C321 PolarHBondContact O-N 2.8Å; K319-C350 PolarHBondContact N-O 2.04Å; K319-C350 CarbonylContact O-C 3.52Å; K319-C350 WeakPolarHBondContact O-CA 3.44Å; K319-C350 WeakPolarHBondContact O-CB 3.24Å; K319-C350 PolarHBondContact O-N 2.81Å; K319-I352 HydrophobicContact CD-CD1 3.64Å; K319-I352 HydrophobicContact CD-CG1 4.45Å; K319-I352 HydrophobicContact CG-CD1 4.1Å; K319-I352 HydrophobicContact CG-CG1 4.39Å
320	I	51.8	Low	48.9	Very low	106 Å²	106	91.4 Å²	91.4	54%	0.544	44%	0.441	S	S	.	.			trans	-62.9	127.9	168.4	-54.5	172.6	0	0	0	109.2	N322	I320-N322 WeakPolarHBondContact CG2-OD1 3.03Å; I320-N322 PolarHBondContact O-N 3Å; I320-N322 VanDerWaalsContact O-N 3.09Å; I320-N322 PolarHBondContact O-ND2 3.15Å
321	C	54.7	Low	48.9	Very low	4 Å²	4	95.1 Å²	95.1	3%	0.027	46%	0.458	C	S	.	.			trans	-61.7	106.3	175.6	-57.9	0	0	0	0	110.6	K319 D326 K330 C350	K319-C321 PolarHBondContact O-N 2.8Å; C321-D326 HydrophobicContact CB-CB 3.95Å; C321-K330 HydrophobicContact CB-CB 3.93Å; C321-K330 HydrophobicContact CB-CD 3.61Å; C321-K330 HydrophobicContact CB-CG 3.75Å; C321-K330 PolarHBondContact O-NZ 3.47Å; C321-C350 VanDerWaalsContact CA-SG 3.54Å; C321-C350 HydrophobicContact CB-CB 3.93Å; C321-C350 WeakPolarHBondContact CB-SG 3.38Å; C321-C350 VanDerWaalsContact SG-CA 3.53Å; C321-C350 WeakPolarHBondContact SG-CB 3.47Å; C321-C350 PolarHBondContact SG-N 3.29Å; C321-C350 CovalentContact SG-SG 2.02Å; C321-C350 PolarHBondContact SG-SG 2.65Å
322	N	52.2	Low	48.8	Very low	127 Å²	127	98.6 Å²	98.6	68%	0.679	48%	0.475	S	S	*	.			trans	-126.9	-4.7	-166.2	-81.8	-23.6	0	0	0	114.6	I320 D326	I320-N322 WeakPolarHBondContact CG2-OD1 3.03Å; I320-N322 PolarHBondContact O-N 3Å; I320-N322 VanDerWaalsContact O-N 3.09Å; I320-N322 PolarHBondContact O-ND2 3.15Å; N322-D326 PolarHBondContact N-OD2 3.14Å
323	K	52.2	Low	48.8	Very low	149 Å²	149	98.6 Å²	98.6	65%	0.648	48%	0.476	S	S	*	.	S	Bend	trans	-107.2	156.6	171.4	-62.9	-175.7	174.2	-174.2	0	111.2	T325 D326	K323-T325 PolarHBondContact O-N 3.1Å; K323-D326 WeakPolarHBondContact CB-OD2 3.21Å; K323-D326 PolarHBondContact N-OD2 3.44Å; K323-D326 WeakPolarHBondContact O-CA 3.41Å; K323-D326 VanDerWaalsContact O-CB 3.27Å; K323-D326 WeakPolarHBondContact O-CB 3.21Å; K323-D326 PolarHBondContact O-N 3.38Å
324	L	42.8	Very low	50	Low	146 Å²	146	94 Å²	94	76%	0.764	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-61.1	-32.8	177.4	-72.2	101.2	0	0	0	112.8	D326 M327	L324-D326 PolarHBondContact O-N 3.25Å; L324-M327 HydrophobicContact CB-CE 4.16Å; L324-M327 HydrophobicContact CD2-CE 3.91Å; L324-M327 HydrophobicContact CG-CE 3.93Å; L324-M327 WeakPolarHBondContact O-CB 3.45Å; L324-M327 PolarHBondContact O-N 2.75Å
325	T	48.3	Very low	51.6	Low	107 Å²	107	92 Å²	92	66%	0.656	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-63.7	-20	172.1	50.4	0	0	0	0	113.8	K323	K323-T325 PolarHBondContact O-N 3.1Å
326	D	51	Low	53.4	Low	30 Å²	30	86.3 Å²	86.3	16%	0.16	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-88.8	-7.4	180	-46.8	-18.3	0	0	0	111.1	C321 N322 K323 L324 L329 K330	C321-D326 HydrophobicContact CB-CB 3.95Å; N322-D326 PolarHBondContact N-OD2 3.14Å; K323-D326 WeakPolarHBondContact CB-OD2 3.21Å; K323-D326 PolarHBondContact N-OD2 3.44Å; K323-D326 WeakPolarHBondContact O-CA 3.41Å; K323-D326 VanDerWaalsContact O-CB 3.27Å; K323-D326 WeakPolarHBondContact O-CB 3.21Å; K323-D326 PolarHBondContact O-N 3.38Å; L324-D326 PolarHBondContact O-N 3.25Å; D326-L329 WeakPolarHBondContact O-CB 2.8Å; D326-L329 PolarHBondContact O-N 2.79Å; D326-K330 WeakPolarHBondContact O-CB 3.43Å; D326-K330 PolarHBondContact O-N 3Å
327	M	36.4	Very low	55	Low	88 Å²	88	85.2 Å²	85.2	43%	0.433	41%	0.414	S	S	.	.	H	α-helix	trans	-73	-32.1	-174.1	-69	-158	-69.7	0	0	113.6	L324 L329 K330 H331	L324-M327 HydrophobicContact CB-CE 4.16Å; L324-M327 HydrophobicContact CD2-CE 3.91Å; L324-M327 HydrophobicContact CG-CE 3.93Å; L324-M327 WeakPolarHBondContact O-CB 3.45Å; L324-M327 PolarHBondContact O-N 2.75Å; M327-L329 VanDerWaalsContact C-N 3.25Å; M327-L329 PolarHBondContact O-N 2.87Å; M327-K330 CarbonylContact O-C 3.46Å; M327-K330 WeakPolarHBondContact O-CB 3.28Å; M327-K330 PolarHBondContact O-N 2.81Å; M327-K330 VanDerWaalsContact O-N 3.14Å; M327-H331 PolarHBondContact O-N 2.03Å; M327-H331 VanDerWaalsContact O-N 3.08Å
328	D	46.8	Very low	55.9	Low	124 Å²	124	79.4 Å²	79.4	66%	0.663	39%	0.39	S	S	*	.	H	α-helix	trans	-62	-36.2	171.6	-66.2	-35.8	0	0	0	111.4	Q332	D328-Q332 WeakPolarHBondContact O-CG 3.07Å; D328-Q332 PolarHBondContact O-N 3.26Å
329	L	51.7	Low	56	Low	62 Å²	62	77.1 Å²	77.1	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-71.7	-41.2	172.5	-66.4	163.9	0	0	0	111	D326 M327 H331 Q332 G333 Y356	D326-L329 WeakPolarHBondContact O-CB 2.8Å; D326-L329 PolarHBondContact O-N 2.79Å; M327-L329 VanDerWaalsContact C-N 3.25Å; M327-L329 PolarHBondContact O-N 2.87Å; L329-H331 PolarHBondContact O-N 3.34Å; L329-H331 VanDerWaalsContact O-N 3.13Å; L329-Q332 PolarHBondContact O-N 2.69Å; L329-Q332 VanDerWaalsContact O-N 3.12Å; L329-G333 WeakPolarHBondContact O-CA 3.49Å; L329-G333 PolarHBondContact O-N 2.98Å; L329-Y356 HydrophobicContact CD2-CE1 4.12Å; L329-Y356 HydrophobicContact CD2-CE2 3.99Å; L329-Y356 WeakPolarHBondContact CD2-OH 3.41Å
330	K	46.2	Very low	55.6	Low	96 Å²	96	73.8 Å²	73.8	42%	0.417	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-14.1	177.8	-154.9	176.4	-165.1	165.2	0	114.1	C321 D326 M327	C321-K330 HydrophobicContact CB-CB 3.93Å; C321-K330 HydrophobicContact CB-CD 3.61Å; C321-K330 HydrophobicContact CB-CG 3.75Å; C321-K330 PolarHBondContact O-NZ 3.47Å; D326-K330 WeakPolarHBondContact O-CB 3.43Å; D326-K330 PolarHBondContact O-N 3Å; M327-K330 CarbonylContact O-C 3.46Å; M327-K330 WeakPolarHBondContact O-CB 3.28Å; M327-K330 PolarHBondContact O-N 2.81Å; M327-K330 VanDerWaalsContact O-N 3.14Å
331	H	48.4	Very low	55.4	Low	162 Å²	162	71.3 Å²	71.3	75%	0.75	36%	0.357	S	S	*	.	H	α-helix	trans	-105.8	-11.3	175.3	-70.6	-4.7	0	0	0	114.1	M327 L329	M327-H331 PolarHBondContact O-N 2.03Å; M327-H331 VanDerWaalsContact O-N 3.08Å; L329-H331 PolarHBondContact O-N 3.34Å; L329-H331 VanDerWaalsContact O-N 3.13Å
332	Q	53.6	Low	55.4	Low	131 Å²	131	72.3 Å²	72.3	61%	0.612	36%	0.361	S	S	*	.	H	α-helix	trans	-109.8	-18.3	177.3	-65	-180	10.7	0	0	112.9	D328 L329	D328-Q332 WeakPolarHBondContact O-CG 3.07Å; D328-Q332 PolarHBondContact O-N 3.26Å; L329-Q332 PolarHBondContact O-N 2.69Å; L329-Q332 VanDerWaalsContact O-N 3.12Å
333	G	63.8	Low	56	Low	5 Å²	5	70 Å²	70	5%	0.052	35%	0.346	C	S	.	.			trans	66	-166.8	-172.1	0	0	0	0	0	112.8	L329 T347 Y356	L329-G333 WeakPolarHBondContact O-CA 3.49Å; L329-G333 PolarHBondContact O-N 2.98Å; G333-T347 WeakPolarHBondContact CA-O 3.27Å; G333-Y356 PolarHBondContact O-OH 2.7Å
334	G	72.5	Confident	57.3	Low	1 Å²	1	63 Å²	63	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.2	177.5	0	0	0	0	0	112	Y346 T347	G334-Y346 CarbonylContact O-C 3.55Å; G334-Y346 WeakPolarHBondContact O-CA 3.33Å; G334-T347 PolarHBondContact N-O 2.93Å; G334-T347 PolarHBondContact O-N 3.05Å
335	W	82.8	Confident	59	Low	65 Å²	65	58.1 Å²	58.1	25%	0.246	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	143.1	162.3	-67.3	82.7	0	0	0	109.1	C344 Q345 Y346 F357 K360 C363	W335-C344 HydrophobicContact CE3-CB 4.21Å; W335-C344 VanDerWaalsContact CZ3-O 3.24Å; W335-C344 WeakPolarHBondContact CZ3-O 3.48Å; W335-Q345 CarbonylContact C-O 3.5Å; W335-Q345 VanDerWaalsContact CA-O 3.29Å; W335-Q345 WeakPolarHBondContact CA-O 3.43Å; W335-Q345 VanDerWaalsContact CE3-C 3.45Å; W335-Y346 HydrophobicContact CD2-CD2 4.37Å; W335-Y346 AromaticContact CE2-CD2 3.91Å; W335-Y346 HydrophobicContact CZ2-CD2 4.28Å; W335-Y346 HydrophobicContact CZ2-CG 4.47Å; W335-Y346 AromaticContact NE1-CD2 3.76Å; W335-F357 HydrophobicContact CB-CB 4.28Å; W335-F357 PolarHBondContact N-O 3.27Å; W335-F357 WeakPolarHBondContact O-CD2 3.33Å; W335-F357 PolarHBondContact O-N 2.87Å; W335-K360 VanDerWaalsContact CD1-N 3.26Å; W335-K360 HydrophobicContact CD2-CB 3.69Å; W335-K360 HydrophobicContact CD2-CG 3.88Å; W335-K360 HydrophobicContact CE3-CB 3.97Å; W335-K360 HydrophobicContact CE3-CD 4.19Å; W335-K360 HydrophobicContact CE3-CG 3.59Å; W335-K360 HydrophobicContact CG-CB 4.25Å; W335-K360 HydrophobicContact CH2-CB 4.12Å; W335-K360 HydrophobicContact CH2-CD 3.78Å; W335-K360 HydrophobicContact CH2-CG 3.95Å; W335-K360 HydrophobicContact CZ2-CB 3.87Å; W335-K360 HydrophobicContact CZ2-CD 4.36Å; W335-K360 HydrophobicContact CZ2-CG 4.22Å; W335-K360 HydrophobicContact CZ3-CB 4.17Å; W335-K360 HydrophobicContact CZ3-CD 3.68Å; W335-K360 HydrophobicContact CZ3-CG 3.63Å; W335-C363 HydrophobicContact CB-CB 3.98Å
336	Y	78.6	Confident	60.6	Low	32 Å²	32	59 Å²	59	13%	0.125	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.9	173.3	75.9	-76.9	0	0	0	110.4	N338 C344 Q345 T347 I351 N355	Y336-N338 HydrophobicContact CE2-CB 4.06Å; Y336-N338 PolarHBondContact O-N 2.77Å; Y336-C344 CarbonylContact O-C 3.38Å; Y336-C344 WeakPolarHBondContact O-CA 3.05Å; Y336-Q345 HydrophobicContact CD1-CB 4.22Å; Y336-Q345 WeakPolarHBondContact CD1-O 3.46Å; Y336-Q345 HydrophobicContact CE1-CB 3.74Å; Y336-Q345 PolarHBondContact N-O 2.93Å; Y336-Q345 PolarHBondContact O-N 2.55Å; Y336-Q345 PolarHBondContact OH-OE1 2.88Å; Y336-T347 HydrophobicContact CD1-CG2 3.88Å; Y336-T347 HydrophobicContact CE1-CG2 3.96Å; Y336-I351 HydrophobicContact CD1-CD1 3.36Å; Y336-I351 HydrophobicContact CD2-CD1 3.87Å; Y336-I351 HydrophobicContact CE1-CD1 4.03Å; Y336-I351 HydrophobicContact CE2-CD1 4.48Å; Y336-I351 HydrophobicContact CG-CD1 3.25Å; Y336-N355 VanDerWaalsContact CA-O 3.23Å; Y336-N355 WeakPolarHBondContact CA-O 3.34Å; Y336-N355 WeakPolarHBondContact CB-O 3.39Å
337	Y	74.2	Confident	61.3	Low	15 Å²	15	58.4 Å²	58.4	6%	0.059	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.1	174.4	-170.4	-127.7	0	0	0	108.6	N355 C367 E368 C376 L377	Y337-N355 PolarHBondContact O-ND2 2.59Å; Y337-C367 HydrophobicContact CD1-CB 3.86Å; Y337-C367 HydrophobicContact CD2-CB 3.81Å; Y337-C367 HydrophobicContact CE1-CB 4.42Å; Y337-C367 HydrophobicContact CE2-CB 4.36Å; Y337-C367 HydrophobicContact CG-CB 3.56Å; Y337-E368 HydrophobicContact CD2-CG 4.45Å; Y337-E368 HydrophobicContact CE2-CG 4.07Å; Y337-C376 HydrophobicContact CD1-CB 3.9Å; Y337-C376 HydrophobicContact CG-CB 4.44Å; Y337-L377 HydrophobicContact CD1-CD1 3.47Å; Y337-L377 VanDerWaalsContact CD1-CD1 3.47Å; Y337-L377 HydrophobicContact CE1-CD1 4.33Å; Y337-L377 HydrophobicContact CG-CD1 4.08Å; Y337-L377 WeakPolarHBondContact O-CD1 3.11Å
338	N	64.9	Low	62.5	Low	17 Å²	17	57.8 Å²	57.8	9%	0.091	28%	0.283	C	S	.	.			trans	-85.1	119.6	176.7	178.9	-26.5	0	0	0	108.5	Y336 T340 E341 M342 Q343 Q345	Y336-N338 HydrophobicContact CE2-CB 4.06Å; Y336-N338 PolarHBondContact O-N 2.77Å; N338-T340 PolarHBondContact O-N 3.44Å; N338-T340 WeakPolarHBondContact OD1-CA 3.36Å; N338-T340 VanDerWaalsContact OD1-CB 3.23Å; N338-T340 WeakPolarHBondContact OD1-CB 3.29Å; N338-T340 PolarHBondContact OD1-N 3.38Å; N338-T340 PolarHBondContact OD1-OG1 2.89Å; N338-E341 HydrophobicContact CB-CB 4.12Å; N338-E341 PolarHBondContact ND2-OE1 3.05Å; N338-E341 PolarHBondContact O-N 2.86Å; N338-E341 PolarHBondContact OD1-N 3.29Å; N338-M342 WeakPolarHBondContact O-CA 3.3Å; N338-M342 PolarHBondContact O-N 2.77Å; N338-Q343 PolarHBondContact N-O 3.08Å; N338-Q345 HydrophobicContact CB-CG 4.16Å; N338-Q345 PolarHBondContact ND2-OE1 3.17Å
339	P	49.5	Very low	63.1	Low	26 Å²	26	55.1 Å²	55.1	17%	0.169	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.5	-175.5	31.5	-33.3	0	0	0	113.1	P316 M342 L377	P316-P339 HydrophobicContact CG-CG 4.47Å; P339-M342 WeakPolarHBondContact O-CE 3.38Å; P339-L377 HydrophobicContact CB-CB 4.27Å; P339-L377 HydrophobicContact CB-CD1 3.61Å; P339-L377 HydrophobicContact CB-CD2 4.22Å; P339-L377 HydrophobicContact CB-CG 4.23Å; P339-L377 HydrophobicContact CG-CD1 4.08Å; P339-L377 HydrophobicContact CG-CD2 4.13Å
340	T	44.4	Very low	63.5	Low	56 Å²	56	52.4 Å²	52.4	34%	0.344	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-56.2	170.7	-44.5	0	0	0	0	108.4	N338 M342 K681 L682	N338-T340 PolarHBondContact O-N 3.44Å; N338-T340 WeakPolarHBondContact OD1-CA 3.36Å; N338-T340 VanDerWaalsContact OD1-CB 3.23Å; N338-T340 WeakPolarHBondContact OD1-CB 3.29Å; N338-T340 PolarHBondContact OD1-N 3.38Å; N338-T340 PolarHBondContact OD1-OG1 2.89Å; T340-M342 WeakPolarHBondContact O-CE 3.49Å; T340-M342 PolarHBondContact O-N 3.08Å; T340-K681 WeakPolarHBondContact CG2-O 3.44Å; T340-K681 CarbonylContact O-C 3.19Å; T340-L682 WeakPolarHBondContact O-CA 3.45Å; T340-L682 PolarHBondContact O-N 3.47Å
341	E	48.2	Very low	64.2	Low	55 Å²	55	48.2 Å²	48.2	26%	0.257	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.5	-172.1	-68.1	179.8	-123.7	0	0	116	N338 Q343 Q345 L682	N338-E341 HydrophobicContact CB-CB 4.12Å; N338-E341 PolarHBondContact ND2-OE1 3.05Å; N338-E341 PolarHBondContact O-N 2.86Å; N338-E341 PolarHBondContact OD1-N 3.29Å; E341-Q343 HydrophobicContact CB-CG 4Å; E341-Q343 WeakPolarHBondContact O-CG 3.46Å; E341-Q343 PolarHBondContact O-N 3.08Å; E341-Q343 PolarHBondContact OE2-NE2 2.68Å; E341-Q345 PolarHBondContact OE1-NE2 2.95Å; E341-Q345 PolarHBondContact OE2-NE2 2.85Å; E341-L682 HydrophobicContact CB-CD2 4.09Å; E341-L682 HydrophobicContact CG-CD2 4.45Å; E341-L682 WeakPolarHBondContact O-CD2 3.48Å; E341-L682 WeakPolarHBondContact O-CG 3.36Å
342	M	54.8	Low	64.7	Low	24 Å²	24	45.2 Å²	45.2	12%	0.118	23%	0.226	C	C	.	.			trans	49.2	33.5	170.3	-66	135.2	-161.5	0	0	114.2	N338 P339 T340 K678 M679 T680 K681 L682	N338-M342 WeakPolarHBondContact O-CA 3.3Å; N338-M342 PolarHBondContact O-N 2.77Å; P339-M342 WeakPolarHBondContact O-CE 3.38Å; T340-M342 WeakPolarHBondContact O-CE 3.49Å; T340-M342 PolarHBondContact O-N 3.08Å; M342-K678 VanDerWaalsContact CE-C 3.43Å; M342-K678 WeakPolarHBondContact CE-O 3.34Å; M342-K678 WeakPolarHBondContact CG-O 3.29Å; M342-M679 WeakPolarHBondContact SD-CA 3.32Å; M342-T680 PolarHBondContact SD-N 2.89Å; M342-T680 VanDerWaalsContact SD-N 3.38Å; M342-K681 HydrophobicContact CE-CB 3.81Å; M342-K681 PolarHBondContact SD-N 2.86Å; M342-L682 HydrophobicContact CB-CD1 4.42Å; M342-L682 HydrophobicContact CB-CG 4.47Å
343	Q	65.9	Low	64.8	Low	79 Å²	79	41.5 Å²	41.5	37%	0.369	21%	0.21	S	C	.	.	S	Bend	trans	-139	149.2	177	63.9	-179.6	-24.5	0	0	108.2	N338 E341 Q345	N338-Q343 PolarHBondContact N-O 3.08Å; E341-Q343 HydrophobicContact CB-CG 4Å; E341-Q343 WeakPolarHBondContact O-CG 3.46Å; E341-Q343 PolarHBondContact O-N 3.08Å; E341-Q343 PolarHBondContact OE2-NE2 2.68Å; Q343-Q345 HydrophobicContact CG-CG 4.03Å; Q343-Q345 PolarHBondContact O-N 3.44Å; Q343-Q345 VanDerWaalsContact O-N 3.14Å
344	C	79.3	Confident	64.8	Low	3 Å²	3	46.6 Å²	46.6	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	106.3	163.9	-70.4	0	0	0	0	109.7	W335 Y336 K360 C363 I364 E368	W335-C344 HydrophobicContact CE3-CB 4.21Å; W335-C344 VanDerWaalsContact CZ3-O 3.24Å; W335-C344 WeakPolarHBondContact CZ3-O 3.48Å; Y336-C344 CarbonylContact O-C 3.38Å; Y336-C344 WeakPolarHBondContact O-CA 3.05Å; C344-K360 HydrophobicContact CB-CG 4.25Å; C344-C363 HydrophobicContact CB-CB 3.71Å; C344-C363 WeakPolarHBondContact CB-SG 3.06Å; C344-C363 WeakPolarHBondContact SG-CB 3.29Å; C344-C363 CovalentContact SG-SG 2.02Å; C344-C363 PolarHBondContact SG-SG 3.26Å; C344-I364 PolarHBondContact SG-N 3.01Å; C344-E368 PolarHBondContact N-OE1 3.02Å; C344-E368 PolarHBondContact SG-OE1 2.65Å
345	Q	77.9	Confident	64.5	Low	42 Å²	42	46.7 Å²	46.7	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	150.7	170.7	-75.6	-172.8	-35	0	0	110.4	W335 Y336 N338 E341 Q343	W335-Q345 CarbonylContact C-O 3.5Å; W335-Q345 VanDerWaalsContact CA-O 3.29Å; W335-Q345 WeakPolarHBondContact CA-O 3.43Å; W335-Q345 VanDerWaalsContact CE3-C 3.45Å; Y336-Q345 HydrophobicContact CD1-CB 4.22Å; Y336-Q345 WeakPolarHBondContact CD1-O 3.46Å; Y336-Q345 HydrophobicContact CE1-CB 3.74Å; Y336-Q345 PolarHBondContact N-O 2.93Å; Y336-Q345 PolarHBondContact O-N 2.55Å; Y336-Q345 PolarHBondContact OH-OE1 2.88Å; N338-Q345 HydrophobicContact CB-CG 4.16Å; N338-Q345 PolarHBondContact ND2-OE1 3.17Å; E341-Q345 PolarHBondContact OE1-NE2 2.95Å; E341-Q345 PolarHBondContact OE2-NE2 2.85Å; Q343-Q345 HydrophobicContact CG-CG 4.03Å; Q343-Q345 PolarHBondContact O-N 3.44Å; Q343-Q345 VanDerWaalsContact O-N 3.14Å
346	Y	81.3	Confident	64.3	Low	126 Å²	126	45.7 Å²	45.7	49%	0.494	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	145.7	168.2	177.1	-97.8	0	0	0	109.7	G334 W335	G334-Y346 CarbonylContact O-C 3.55Å; G334-Y346 WeakPolarHBondContact O-CA 3.33Å; W335-Y346 HydrophobicContact CD2-CD2 4.37Å; W335-Y346 AromaticContact CE2-CD2 3.91Å; W335-Y346 HydrophobicContact CZ2-CD2 4.28Å; W335-Y346 HydrophobicContact CZ2-CG 4.47Å; W335-Y346 AromaticContact NE1-CD2 3.76Å
347	T	66.3	Low	64.3	Low	18 Å²	18	44.2 Å²	44.2	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153	165.5	-176.2	0	0	0	0	111.3	G333 G334 Y336 D349 I351	G333-T347 WeakPolarHBondContact CA-O 3.27Å; G334-T347 PolarHBondContact N-O 2.93Å; G334-T347 PolarHBondContact O-N 3.05Å; Y336-T347 HydrophobicContact CD1-CG2 3.88Å; Y336-T347 HydrophobicContact CE1-CG2 3.96Å; T347-D349 VanDerWaalsContact C-N 3.34Å; T347-D349 HydrophobicContact CG2-CB 4.42Å; T347-D349 PolarHBondContact OG1-N 2.96Å; T347-D349 PolarHBondContact OG1-OD2 2.94Å; T347-I351 HydrophobicContact CG2-CD1 3.56Å; T347-I351 HydrophobicContact CG2-CG1 4.04Å
348	S	61.4	Low	64.5	Low	75 Å²	75	50.3 Å²	50.3	52%	0.524	25%	0.254	S	S	.	.	S	Bend	trans	-82	-9.9	165.9	46.7	0	0	0	0	113.5
349	D	59.8	Low	65.3	Low	67 Å²	67	52.9 Å²	52.9	36%	0.358	27%	0.27	S	S	.	.	S	Bend	trans	-86.5	157.1	-178	-64.9	-50	0	0	0	113.4	I318 T347 I351	I318-D349 HydrophobicContact CG2-CB 3.76Å; T347-D349 VanDerWaalsContact C-N 3.34Å; T347-D349 HydrophobicContact CG2-CB 4.42Å; T347-D349 PolarHBondContact OG1-N 2.96Å; T347-D349 PolarHBondContact OG1-OD2 2.94Å; D349-I351 PolarHBondContact O-N 2.78Å
350	C	60.5	Low	66.9	Low	5 Å²	5	55.6 Å²	55.6	3%	0.034	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	104.2	-177.9	-81.9	0	0	0	0	111.7	K319 C321 I352	K319-C350 PolarHBondContact N-O 2.04Å; K319-C350 CarbonylContact O-C 3.52Å; K319-C350 WeakPolarHBondContact O-CA 3.44Å; K319-C350 WeakPolarHBondContact O-CB 3.24Å; K319-C350 PolarHBondContact O-N 2.81Å; C321-C350 VanDerWaalsContact CA-SG 3.54Å; C321-C350 HydrophobicContact CB-CB 3.93Å; C321-C350 WeakPolarHBondContact CB-SG 3.38Å; C321-C350 VanDerWaalsContact SG-CA 3.53Å; C321-C350 WeakPolarHBondContact SG-CB 3.47Å; C321-C350 PolarHBondContact SG-N 3.29Å; C321-C350 CovalentContact SG-SG 2.02Å; C321-C350 PolarHBondContact SG-SG 2.65Å; C350-I352 HydrophobicContact CB-CG2 4.2Å; C350-I352 PolarHBondContact O-N 2.9Å
351	I	59.6	Low	68.5	Low	9 Å²	9	57.6 Å²	57.6	5%	0.046	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	99.2	170.2	-65.1	-179	0	0	0	108.1	I318 Y336 T347 D349 N353 Y356	I318-I351 HydrophobicContact CD1-CD1 4.46Å; I318-I351 HydrophobicContact CG1-CD1 4.3Å; I318-I351 HydrophobicContact CG1-CG1 4.15Å; I318-I351 HydrophobicContact CG2-CG1 4.12Å; Y336-I351 HydrophobicContact CD1-CD1 3.36Å; Y336-I351 HydrophobicContact CD2-CD1 3.87Å; Y336-I351 HydrophobicContact CE1-CD1 4.03Å; Y336-I351 HydrophobicContact CE2-CD1 4.48Å; Y336-I351 HydrophobicContact CG-CD1 3.25Å; T347-I351 HydrophobicContact CG2-CD1 3.56Å; T347-I351 HydrophobicContact CG2-CG1 4.04Å; D349-I351 PolarHBondContact O-N 2.78Å; I351-N353 VanDerWaalsContact C-N 3.29Å; I351-N353 PolarHBondContact O-N 2.91Å; I351-Y356 HydrophobicContact CB-CD2 4.34Å; I351-Y356 VanDerWaalsContact O-CB 3.29Å; I351-Y356 WeakPolarHBondContact O-CB 3.18Å
352	I	58.7	Low	70.1	Confident	98 Å²	98	58.1 Å²	58.1	50%	0.503	29%	0.29	S	S	.	.			trans	-93	42.4	-174	56.8	155.7	0	0	0	112.4	K319 C350	K319-I352 HydrophobicContact CD-CD1 3.64Å; K319-I352 HydrophobicContact CD-CG1 4.45Å; K319-I352 HydrophobicContact CG-CD1 4.1Å; K319-I352 HydrophobicContact CG-CG1 4.39Å; C350-I352 HydrophobicContact CB-CG2 4.2Å; C350-I352 PolarHBondContact O-N 2.9Å
353	N	56.8	Low	71.4	Confident	54 Å²	54	57 Å²	57	29%	0.289	29%	0.285	S	S	.	.	S	Bend	trans	-151.3	171.2	-177.9	65.2	71	0	0	0	110.9	K317 I351 N355 Y356	K317-N353 PolarHBondContact O-ND2 2.85Å; I351-N353 VanDerWaalsContact C-N 3.29Å; I351-N353 PolarHBondContact O-N 2.91Å; N353-N355 PolarHBondContact O-N 3.37Å; N353-N355 WeakPolarHBondContact OD1-CB 3.27Å; N353-N355 PolarHBondContact OD1-N 2.77Å; N353-N355 VanDerWaalsContact OD1-N 3.1Å; N353-Y356 PolarHBondContact O-N 3.04Å
354	D	64.5	Low	72	Confident	112 Å²	112	55.1 Å²	55.1	60%	0.599	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-3.6	-174.2	-63.6	-65	0	0	0	116	Y356 R375	D354-Y356 VanDerWaalsContact C-N 3.35Å; D354-R375 HydrophobicContact CB-CG 4.21Å
355	N	64.6	Low	71.6	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	9.5	173	-160.8	49.6	0	0	0	113	Y336 Y337 N353 F357	Y336-N355 VanDerWaalsContact CA-O 3.23Å; Y336-N355 WeakPolarHBondContact CA-O 3.34Å; Y336-N355 WeakPolarHBondContact CB-O 3.39Å; Y337-N355 PolarHBondContact O-ND2 2.59Å; N353-N355 PolarHBondContact O-N 3.37Å; N353-N355 WeakPolarHBondContact OD1-CB 3.27Å; N353-N355 PolarHBondContact OD1-N 2.77Å; N353-N355 VanDerWaalsContact OD1-N 3.1Å; N355-F357 VanDerWaalsContact C-CE2 3.46Å; N355-F357 WeakPolarHBondContact O-CD2 2.95Å; N355-F357 VanDerWaalsContact O-CE2 3.24Å; N355-F357 WeakPolarHBondContact O-CE2 3.15Å
356	Y	78.7	Confident	71.2	Confident	44 Å²	44	60.1 Å²	60.1	17%	0.173	30%	0.302	C	S	.	.			trans	-88.7	136	168.9	172.6	-84	0	0	0	111.4	L329 G333 I351 N353 D354 K358	L329-Y356 HydrophobicContact CD2-CE1 4.12Å; L329-Y356 HydrophobicContact CD2-CE2 3.99Å; L329-Y356 WeakPolarHBondContact CD2-OH 3.41Å; G333-Y356 PolarHBondContact O-OH 2.7Å; I351-Y356 HydrophobicContact CB-CD2 4.34Å; I351-Y356 VanDerWaalsContact O-CB 3.29Å; I351-Y356 WeakPolarHBondContact O-CB 3.18Å; N353-Y356 PolarHBondContact O-N 3.04Å; D354-Y356 VanDerWaalsContact C-N 3.35Å; Y356-K358 HydrophobicContact CE1-CG 3.85Å
357	F	78.5	Confident	70.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-136	140.3	177	-52.4	-77	0	0	0	109.8	W335 N355 T359 E362 C363 T366 C367 R375 C376	W335-F357 HydrophobicContact CB-CB 4.28Å; W335-F357 PolarHBondContact N-O 3.27Å; W335-F357 WeakPolarHBondContact O-CD2 3.33Å; W335-F357 PolarHBondContact O-N 2.87Å; N355-F357 VanDerWaalsContact C-CE2 3.46Å; N355-F357 WeakPolarHBondContact O-CD2 2.95Å; N355-F357 VanDerWaalsContact O-CE2 3.24Å; N355-F357 WeakPolarHBondContact O-CE2 3.15Å; F357-T359 VanDerWaalsContact C-N 3.34Å; F357-E362 HydrophobicContact CB-CB 4.19Å; F357-E362 HydrophobicContact CB-CG 4.27Å; F357-E362 HydrophobicContact CD1-CG 4.01Å; F357-C363 HydrophobicContact CB-CB 3.75Å; F357-C363 HydrophobicContact CD2-CB 3.5Å; F357-C363 HydrophobicContact CE2-CB 4.32Å; F357-C363 HydrophobicContact CG-CB 3.66Å; F357-T366 HydrophobicContact CE1-CG2 3.9Å; F357-T366 HydrophobicContact CZ-CG2 4.31Å; F357-C367 WeakPolarHBondContact CE2-SG 3.38Å; F357-C367 WeakPolarHBondContact CZ-SG 3.41Å; F357-R375 HydrophobicContact CZ-CB 4.41Å; F357-C376 VanDerWaalsContact CZ-SG 3.54Å
358	K	78.1	Confident	70.5	Confident	144 Å²	144	57.3 Å²	57.3	63%	0.626	29%	0.294	S	S	*	.	S	Bend	trans	-72.8	-27.7	-178.7	-68.4	-171.6	173.3	-169.7	0	113	Y356 E362	Y356-K358 HydrophobicContact CE1-CG 3.85Å; K358-E362 WeakPolarHBondContact CB-OE2 2.98Å; K358-E362 PolarHBondContact N-OE2 2.8Å
359	T	82.4	Confident	70.2	Confident	70 Å²	70	61.6 Å²	61.6	43%	0.429	30%	0.299	S	S	.	.	S	Bend	trans	-132.9	157.2	-177.3	68.8	0	0	0	0	111.2	F357 N361 E362 C363	F357-T359 VanDerWaalsContact C-N 3.34Å; T359-N361 PolarHBondContact O-N 3.4Å; T359-E362 PolarHBondContact O-N 2.05Å; T359-E362 WeakPolarHBondContact OG1-CB 3.45Å; T359-E362 PolarHBondContact OG1-N 3.5Å; T359-C363 PolarHBondContact O-N 2.85Å; T359-C363 VanDerWaalsContact O-N 3.17Å
360	K	83.2	Confident	69.4	Low	84 Å²	84	65.2 Å²	65.2	37%	0.365	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-41.4	172.7	-160.8	-176.3	-174	-165.1	0	110.4	W335 C344 C363 I364	W335-K360 VanDerWaalsContact CD1-N 3.26Å; W335-K360 HydrophobicContact CD2-CB 3.69Å; W335-K360 HydrophobicContact CD2-CG 3.88Å; W335-K360 HydrophobicContact CE3-CB 3.97Å; W335-K360 HydrophobicContact CE3-CD 4.19Å; W335-K360 HydrophobicContact CE3-CG 3.59Å; W335-K360 HydrophobicContact CG-CB 4.25Å; W335-K360 HydrophobicContact CH2-CB 4.12Å; W335-K360 HydrophobicContact CH2-CD 3.78Å; W335-K360 HydrophobicContact CH2-CG 3.95Å; W335-K360 HydrophobicContact CZ2-CB 3.87Å; W335-K360 HydrophobicContact CZ2-CD 4.36Å; W335-K360 HydrophobicContact CZ2-CG 4.22Å; W335-K360 HydrophobicContact CZ3-CB 4.17Å; W335-K360 HydrophobicContact CZ3-CD 3.68Å; W335-K360 HydrophobicContact CZ3-CG 3.63Å; C344-K360 HydrophobicContact CB-CG 4.25Å; K360-C363 WeakPolarHBondContact O-CB 3.07Å; K360-C363 PolarHBondContact O-N 3.24Å; K360-I364 HydrophobicContact CD-CD1 3.91Å; K360-I364 HydrophobicContact CG-CD1 3.73Å; K360-I364 HydrophobicContact CG-CG1 4.16Å; K360-I364 WeakPolarHBondContact O-CB 3.05Å; K360-I364 VanDerWaalsContact O-CG1 3.23Å; K360-I364 WeakPolarHBondContact O-CG1 3.33Å; K360-I364 PolarHBondContact O-N 2.01Å
361	N	79.1	Confident	68.4	Low	98 Å²	98	75.9 Å²	75.9	52%	0.524	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-47.6	177.1	-75.2	37.2	0	0	0	112.4	T359 C363 I364 E365	T359-N361 PolarHBondContact O-N 3.4Å; N361-C363 PolarHBondContact O-N 3.39Å; N361-I364 PolarHBondContact O-N 3.34Å; N361-I364 VanDerWaalsContact O-N 3.09Å; N361-E365 VanDerWaalsContact O-CB 3.26Å; N361-E365 WeakPolarHBondContact O-CB 3.31Å; N361-E365 VanDerWaalsContact O-CG 3.24Å; N361-E365 WeakPolarHBondContact O-CG 3.4Å; N361-E365 PolarHBondContact O-N 3.28Å
362	E	80.4	Confident	67.2	Low	65 Å²	65	77.2 Å²	77.2	30%	0.304	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-37.2	178.1	-170.3	-171.7	-173.5	0	0	111.6	F357 K358 T359 T366	F357-E362 HydrophobicContact CB-CB 4.19Å; F357-E362 HydrophobicContact CB-CG 4.27Å; F357-E362 HydrophobicContact CD1-CG 4.01Å; K358-E362 WeakPolarHBondContact CB-OE2 2.98Å; K358-E362 PolarHBondContact N-OE2 2.8Å; T359-E362 PolarHBondContact O-N 2.05Å; T359-E362 WeakPolarHBondContact OG1-CB 3.45Å; T359-E362 PolarHBondContact OG1-N 3.5Å; E362-T366 VanDerWaalsContact O-CB 3.29Å; E362-T366 WeakPolarHBondContact O-CB 3.23Å; E362-T366 PolarHBondContact O-N 3.25Å; E362-T366 VanDerWaalsContact O-N 3.1Å; E362-T366 PolarHBondContact O-OG1 3.4Å
363	C	83	Confident	66.2	Low	0 Å²	0	78.7 Å²	78.7	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-68.5	-46.7	171.6	-176.5	0	0	0	0	112.3	W335 C344 F357 T359 K360 N361 E365 T366 C367	W335-C363 HydrophobicContact CB-CB 3.98Å; C344-C363 HydrophobicContact CB-CB 3.71Å; C344-C363 WeakPolarHBondContact CB-SG 3.06Å; C344-C363 WeakPolarHBondContact SG-CB 3.29Å; C344-C363 CovalentContact SG-SG 2.02Å; C344-C363 PolarHBondContact SG-SG 3.26Å; F357-C363 HydrophobicContact CB-CB 3.75Å; F357-C363 HydrophobicContact CD2-CB 3.5Å; F357-C363 HydrophobicContact CE2-CB 4.32Å; F357-C363 HydrophobicContact CG-CB 3.66Å; T359-C363 PolarHBondContact O-N 2.85Å; T359-C363 VanDerWaalsContact O-N 3.17Å; K360-C363 WeakPolarHBondContact O-CB 3.07Å; K360-C363 PolarHBondContact O-N 3.24Å; N361-C363 PolarHBondContact O-N 3.39Å; C363-E365 PolarHBondContact O-N 2.99Å; C363-T366 PolarHBondContact O-N 3.33Å; C363-C367 WeakPolarHBondContact O-CA 3.2Å; C363-C367 WeakPolarHBondContact O-CB 3.47Å; C363-C367 PolarHBondContact O-N 3.44Å; C363-C367 PolarHBondContact O-SG 3.12Å
364	I	77.9	Confident	65.6	Low	41 Å²	41	81.3 Å²	81.3	21%	0.21	41%	0.406	C	S	.	.	I	π-helix	trans	-60.7	-47.3	178.9	-71.1	169.7	0	0	0	110.7	C344 K360 N361 T366 C367 E368 Y369	C344-I364 PolarHBondContact SG-N 3.01Å; K360-I364 HydrophobicContact CD-CD1 3.91Å; K360-I364 HydrophobicContact CG-CD1 3.73Å; K360-I364 HydrophobicContact CG-CG1 4.16Å; K360-I364 WeakPolarHBondContact O-CB 3.05Å; K360-I364 VanDerWaalsContact O-CG1 3.23Å; K360-I364 WeakPolarHBondContact O-CG1 3.33Å; K360-I364 PolarHBondContact O-N 2.01Å; N361-I364 PolarHBondContact O-N 3.34Å; N361-I364 VanDerWaalsContact O-N 3.09Å; I364-T366 VanDerWaalsContact C-N 3.34Å; I364-T366 PolarHBondContact O-N 3.02Å; I364-C367 PolarHBondContact O-N 2.9Å; I364-E368 HydrophobicContact CB-CB 4.46Å; I364-E368 HydrophobicContact CG1-CG 4.46Å; I364-E368 HydrophobicContact CG2-CB 4.15Å; I364-E368 CarbonylContact O-C 3.45Å; I364-E368 WeakPolarHBondContact O-CA 3.35Å; I364-E368 WeakPolarHBondContact O-CB 2.93Å; I364-E368 PolarHBondContact O-N 3.37Å; I364-Y369 HydrophobicContact CG2-CD2 4.41Å; I364-Y369 PolarHBondContact O-N 3.25Å
365	E	71.7	Confident	65	Low	120 Å²	120	81.9 Å²	81.9	56%	0.561	40%	0.4	S	S	*	.	I	π-helix	trans	-65.9	-35.1	-179.5	-70.5	166.6	-157.3	0	0	111.9	N361 C363	N361-E365 VanDerWaalsContact O-CB 3.26Å; N361-E365 WeakPolarHBondContact O-CB 3.31Å; N361-E365 VanDerWaalsContact O-CG 3.24Å; N361-E365 WeakPolarHBondContact O-CG 3.4Å; N361-E365 PolarHBondContact O-N 3.28Å; C363-E365 PolarHBondContact O-N 2.99Å
366	T	68.8	Low	64.3	Low	29 Å²	29	82.7 Å²	82.7	18%	0.178	41%	0.406	C	S	.	.	I	π-helix	trans	-84.5	-30.5	177.5	-45.5	0	0	0	0	113.2	F357 E362 C363 I364 R375 C376	F357-T366 HydrophobicContact CE1-CG2 3.9Å; F357-T366 HydrophobicContact CZ-CG2 4.31Å; E362-T366 VanDerWaalsContact O-CB 3.29Å; E362-T366 WeakPolarHBondContact O-CB 3.23Å; E362-T366 PolarHBondContact O-N 3.25Å; E362-T366 VanDerWaalsContact O-N 3.1Å; E362-T366 PolarHBondContact O-OG1 3.4Å; C363-T366 PolarHBondContact O-N 3.33Å; I364-T366 VanDerWaalsContact C-N 3.34Å; I364-T366 PolarHBondContact O-N 3.02Å; T366-R375 HydrophobicContact CG2-CB 3.92Å; T366-R375 HydrophobicContact CG2-CG 4.44Å; T366-C376 PolarHBondContact O-SG 3.05Å; T366-C376 VanDerWaalsContact O-SG 3.36Å
367	C	67.6	Low	62.5	Low	12 Å²	12	82.9 Å²	82.9	8%	0.081	41%	0.409	C	S	.	.	I	π-helix	trans	-123	-35.3	-163.7	-47.6	0	0	0	0	115.8	Y337 F357 C363 I364 C376	Y337-C367 HydrophobicContact CD1-CB 3.86Å; Y337-C367 HydrophobicContact CD2-CB 3.81Å; Y337-C367 HydrophobicContact CE1-CB 4.42Å; Y337-C367 HydrophobicContact CE2-CB 4.36Å; Y337-C367 HydrophobicContact CG-CB 3.56Å; F357-C367 WeakPolarHBondContact CE2-SG 3.38Å; F357-C367 WeakPolarHBondContact CZ-SG 3.41Å; C363-C367 WeakPolarHBondContact O-CA 3.2Å; C363-C367 WeakPolarHBondContact O-CB 3.47Å; C363-C367 PolarHBondContact O-N 3.44Å; C363-C367 PolarHBondContact O-SG 3.12Å; I364-C367 PolarHBondContact O-N 2.9Å; C367-C376 WeakPolarHBondContact CA-SG 3.28Å; C367-C376 HydrophobicContact CB-CB 3.39Å; C367-C376 WeakPolarHBondContact CB-SG 3.41Å; C367-C376 WeakPolarHBondContact SG-CB 3.18Å; C367-C376 CovalentContact SG-SG 2.02Å; C367-C376 PolarHBondContact SG-SG 3.18Å
368	E	64.3	Low	60.3	Low	74 Å²	74	85.9 Å²	85.9	35%	0.346	43%	0.434	S	S	.	.	I	π-helix	trans	-92.3	-17.7	178.7	-63.1	-178.7	-164.4	0	0	111.6	Y337 C344 I364	Y337-E368 HydrophobicContact CD2-CG 4.45Å; Y337-E368 HydrophobicContact CE2-CG 4.07Å; C344-E368 PolarHBondContact N-OE1 3.02Å; C344-E368 PolarHBondContact SG-OE1 2.65Å; I364-E368 HydrophobicContact CB-CB 4.46Å; I364-E368 HydrophobicContact CG1-CG 4.46Å; I364-E368 HydrophobicContact CG2-CB 4.15Å; I364-E368 CarbonylContact O-C 3.45Å; I364-E368 WeakPolarHBondContact O-CA 3.35Å; I364-E368 WeakPolarHBondContact O-CB 2.93Å; I364-E368 PolarHBondContact O-N 3.37Å
369	Y	55.1	Low	58.2	Low	165 Å²	165	82.2 Å²	82.2	65%	0.647	43%	0.425	S	S	*	.	S	Bend	trans	-92.2	140	178.7	-111.2	-84.8	0	0	0	115	I364 R371 G372	I364-Y369 HydrophobicContact CG2-CD2 4.41Å; I364-Y369 PolarHBondContact O-N 3.25Å; Y369-R371 PolarHBondContact O-N 3.03Å; Y369-G372 PolarHBondContact O-N 2.99Å
370	W	43	Very low	55.8	Low	142 Å²	142	79.7 Å²	79.7	54%	0.538	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	14.4	-178.7	-90.3	95	0	0	0	117.1	N845	W370-N845 WeakPolarHBondContact CH2-ND2 3.43Å; W370-N845 WeakPolarHBondContact CH2-OD1 3.16Å; W370-N845 WeakPolarHBondContact CZ2-ND2 3.21Å; W370-N845 WeakPolarHBondContact CZ2-OD1 3.22Å
371	R	39.7	Very low	53.6	Low	230 Å²	230	76.9 Å²	76.9	87%	0.868	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	20.6	-179.3	-64	-171	-176.5	178.6	3.8	114.5	Y369	Y369-R371 PolarHBondContact O-N 3.03Å
372	G	35.6	Very low	51.4	Low	36 Å²	36	73.8 Å²	73.8	37%	0.371	39%	0.386	S	S	.	.			trans	-107.1	112.1	174.8	0	0	0	0	0	113.1	Y369	Y369-G372 PolarHBondContact O-N 2.99Å
373	T	37.7	Very low	48.9	Very low	130 Å²	130	70.7 Å²	70.7	80%	0.798	37%	0.371	S	S	*	.			trans	-96.4	151.6	-179.5	46.1	0	0	0	0	113.8	R375	T373-R375 PolarHBondContact O-N 3.45Å
374	A	44.5	Very low	46.6	Very low	108 Å²	108	72.6 Å²	72.6	89%	0.893	38%	0.38	S	S	*	.	S	Bend	trans	71.5	-37.8	165.3	0	0	0	0	0	119.9
375	R	50.3	Low	44.4	Very low	124 Å²	124	76.1 Å²	76.1	47%	0.468	39%	0.394	S	S	.	.	S	Bend	trans	-71.6	-46.4	-173.9	-75.6	-166.1	168.5	162.4	-2.3	114.7	D354 F357 T366 T373 L377	D354-R375 HydrophobicContact CB-CG 4.21Å; F357-R375 HydrophobicContact CZ-CB 4.41Å; T366-R375 HydrophobicContact CG2-CB 3.92Å; T366-R375 HydrophobicContact CG2-CG 4.44Å; T373-R375 PolarHBondContact O-N 3.45Å; R375-L377 PolarHBondContact O-N 2.86Å; R375-L377 VanDerWaalsContact O-N 3.11Å
376	C	51.8	Low	42.8	Very low	21 Å²	21	79.1 Å²	79.1	14%	0.142	40%	0.4	C	S	.	.	S	Bend	trans	-93.5	63	-161.7	-46	0	0	0	0	115.3	Y337 F357 T366 C367	Y337-C376 HydrophobicContact CD1-CB 3.9Å; Y337-C376 HydrophobicContact CG-CB 4.44Å; F357-C376 VanDerWaalsContact CZ-SG 3.54Å; T366-C376 PolarHBondContact O-SG 3.05Å; T366-C376 VanDerWaalsContact O-SG 3.36Å; C367-C376 WeakPolarHBondContact CA-SG 3.28Å; C367-C376 HydrophobicContact CB-CB 3.39Å; C367-C376 WeakPolarHBondContact CB-SG 3.41Å; C367-C376 WeakPolarHBondContact SG-CB 3.18Å; C367-C376 CovalentContact SG-SG 2.02Å; C367-C376 PolarHBondContact SG-SG 3.18Å
377	L	40.9	Very low	41.4	Very low	47 Å²	47	80.8 Å²	80.8	25%	0.246	41%	0.413	C	S	.	.			trans	72.4	138.3	164.3	-44.4	143.5	0	0	0	116.7	P316 Y337 P339 R375	P316-L377 HydrophobicContact CB-CD2 3.96Å; P316-L377 HydrophobicContact CG-CD2 3.81Å; Y337-L377 HydrophobicContact CD1-CD1 3.47Å; Y337-L377 VanDerWaalsContact CD1-CD1 3.47Å; Y337-L377 HydrophobicContact CE1-CD1 4.33Å; Y337-L377 HydrophobicContact CG-CD1 4.08Å; Y337-L377 WeakPolarHBondContact O-CD1 3.11Å; P339-L377 HydrophobicContact CB-CB 4.27Å; P339-L377 HydrophobicContact CB-CD1 3.61Å; P339-L377 HydrophobicContact CB-CD2 4.22Å; P339-L377 HydrophobicContact CB-CG 4.23Å; P339-L377 HydrophobicContact CG-CD1 4.08Å; P339-L377 HydrophobicContact CG-CD2 4.13Å; R375-L377 PolarHBondContact O-N 2.86Å; R375-L377 VanDerWaalsContact O-N 3.11Å
378	A	31	Very low	39.6	Very low	63 Å²	63	81.1 Å²	81.1	52%	0.521	42%	0.415	S	S	.	.			trans	-131.4	114.9	162.4	0	0	0	0	0	110	K678	A378-K678 PolarHBondContact O-NZ 3.49Å
379	P	33.7	Very low	38.3	Very low	67 Å²	67	81.9 Å²	81.9	44%	0.435	43%	0.434	S	S	.	.				-86	-175.5	124.7	-0.9	0.7	0	0	0	112	Q381 K678	P379-Q381 PolarHBondContact O-OE1 2.99Å; P379-K678 HydrophobicContact CB-CD 3.85Å; P379-K678 HydrophobicContact CG-CD 3.55Å; P379-K678 HydrophobicContact CG-CG 4.08Å; P379-K678 WeakPolarHBondContact O-CD 3.42Å; P379-K678 WeakPolarHBondContact O-CE 3.2Å
380	P	32.1	Very low	37.4	Very low	18 Å²	18	80.4 Å²	80.4	12%	0.117	44%	0.442	C	S	.	.			trans	-86.5	154.3	173.7	34.6	-30	0	0	0	110.9	F414	P380-F414 HydrophobicContact CB-CD2 4.38Å; P380-F414 HydrophobicContact CB-CE2 4.16Å
381	Q	38.2	Very low	37	Very low	25 Å²	25	79 Å²	79	12%	0.117	45%	0.445	C	S	.	.			trans	-119.2	-109.5	154.5	-60.3	101.1	-93.6	0	0	108.2	P379 N673 N674 K677 K678	P379-Q381 PolarHBondContact O-OE1 2.99Å; Q381-N673 WeakPolarHBondContact CB-O 3.41Å; Q381-N674 WeakPolarHBondContact CA-OD1 3.33Å; Q381-N674 PolarHBondContact N-OD1 3.04Å; Q381-N674 PolarHBondContact NE2-O 2.67Å; Q381-N674 VanDerWaalsContact NE2-O 3.13Å; Q381-N674 PolarHBondContact O-OD1 3.19Å; Q381-N674 PolarHBondContact OE1-O 3.11Å; Q381-K677 HydrophobicContact CG-CB 3.9Å; Q381-K678 HydrophobicContact CG-CG 4.49Å; Q381-K678 VanDerWaalsContact OE1-CD 3.27Å
382	A	31.1	Very low	36.7	Very low	32 Å²	32	74.1 Å²	74.1	26%	0.264	44%	0.441	S	S	.	.	S	Bend	trans	-135.3	63.2	172.3	0	0	0	0	0	114.7	H672 N673 N674	A382-H672 CarbonylContact O-C 3.01Å; A382-H672 PolarHBondContact O-N 2.89Å; A382-N673 VanDerWaalsContact C-C 3.44Å; A382-N673 PolarHBondContact N-O 3.27Å; A382-N673 CarbonylContact O-C 3.32Å; A382-N674 VanDerWaalsContact C-N 3.31Å; A382-N674 PolarHBondContact N-OD1 3.36Å; A382-N674 VanDerWaalsContact N-OD1 3.15Å
383	G	29.8	Very low	36.9	Very low	0 Å²	0	80.4 Å²	80.4	0%	0	46%	0.461	C	S	.	.			trans	65.6	126.6	175.7	0	0	0	0	0	119.9	I671 H672 N673 N674	G383-I671 CarbonylContact C-O 3Å; G383-I671 VanDerWaalsContact C-O 3.31Å; G383-I671 CarbonylContact O-C 3.3Å; G383-H672 CarbonylContact O-C 3.35Å; G383-H672 WeakPolarHBondContact O-CA 3.19Å; G383-H672 PolarHBondContact O-N 3.25Å; G383-N673 CarbonylContact O-C 3.58Å; G383-N673 WeakPolarHBondContact O-CA 3.45Å; G383-N673 PolarHBondContact O-N 3.42Å; G383-N674 PolarHBondContact N-OD1 2.79Å; G383-N674 PolarHBondContact O-N 2.89Å
384	H	32.9	Very low	37	Very low	41 Å²	41	78.6 Å²	78.6	19%	0.19	44%	0.442	C	S	.	.			trans	-114.8	141.1	170.6	-173.7	81.7	0	0	0	114.7	R386 I671 N673 L675	H384-R386 PolarHBondContact NE2-NE 2.02Å; H384-R386 PolarHBondContact O-N 3.44Å; H384-I671 VanDerWaalsContact C-CG2 3.42Å; H384-I671 CarbonylContact C-O 3.59Å; H384-I671 WeakPolarHBondContact CA-O 3.19Å; H384-I671 PolarHBondContact N-O 3.04Å; H384-I671 WeakPolarHBondContact O-CG2 3.5Å; H384-N673 PolarHBondContact ND1-OD1 3.12Å; H384-L675 HydrophobicContact CB-CB 4.33Å; H384-L675 HydrophobicContact CB-CD1 4.2Å
385	F	32.5	Very low	36.7	Very low	115 Å²	115	78.2 Å²	78.2	50%	0.504	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-2.1	-141.6	-164.2	-125.7	0	0	0	119.7	T670 I671 H672	F385-T670 WeakPolarHBondContact CD2-O 3.15Å; F385-T670 PolarHBondContact O-OG1 2.99Å; F385-I671 WeakPolarHBondContact CA-O 3.21Å; F385-I671 PolarHBondContact N-O 3.4Å; F385-H672 AromaticContact CD2-CD2 3.76Å; F385-H672 AromaticContact CG-CD2 3.98Å
386	R	37.7	Very low	36.4	Very low	182 Å²	182	73.5 Å²	73.5	69%	0.687	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	2.4	-144	-58.8	-171.2	177.1	-141.8	-2.6	116.8	H384 S388 A389 T670	H384-R386 PolarHBondContact NE2-NE 2.02Å; H384-R386 PolarHBondContact O-N 3.44Å; R386-S388 PolarHBondContact O-N 2.76Å; R386-A389 PolarHBondContact O-N 2.9Å; R386-T670 PolarHBondContact N-OG1 2.83Å
387	C	39	Very low	36	Very low	65 Å²	65	82.2 Å²	82.2	44%	0.439	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	39.1	164	-33.1	0	0	0	0	112.6	C419 T670	C387-C419 HydrophobicContact CB-CB 3.97Å; C387-C419 WeakPolarHBondContact CB-SG 3.3Å; C387-C419 WeakPolarHBondContact SG-CB 3.36Å; C387-C419 CovalentContact SG-SG 2.06Å; C387-C419 PolarHBondContact SG-SG 2.78Å; C387-T670 HydrophobicContact CB-CG2 3.33Å; C387-T670 PolarHBondContact N-OG1 3.33Å; C387-T670 VanDerWaalsContact N-OG1 3.16Å
388	S	30.3	Very low	36.2	Very low	19 Å²	19	81.8 Å²	81.8	13%	0.133	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	14	169.2	77.7	0	0	0	0	113.1	R386 V390 N668 K669 T670	R386-S388 PolarHBondContact O-N 2.76Å; S388-V390 VanDerWaalsContact C-N 3.25Å; S388-V390 PolarHBondContact O-N 2.03Å; S388-N668 WeakPolarHBondContact CB-O 2.99Å; S388-K669 PolarHBondContact O-NZ 2.78Å; S388-K669 PolarHBondContact OG-NZ 3.3Å; S388-T670 PolarHBondContact N-OG1 3.24Å
389	A	36.9	Very low	37.4	Very low	90 Å²	90	82.7 Å²	82.7	74%	0.744	44%	0.437	S	S	*	.	S	Bend	trans	-79.4	1.1	176.7	0	0	0	0	0	114.1	R386	R386-A389 PolarHBondContact O-N 2.9Å
390	V	36.3	Very low	38.5	Very low	133 Å²	133	82.8 Å²	82.8	81%	0.806	43%	0.434	S	S	*	.	S	Bend	trans	-140.4	10.9	-172.2	-147.4	0	0	0	0	113.8	S388	S388-V390 VanDerWaalsContact C-N 3.25Å; S388-V390 PolarHBondContact O-N 2.03Å
391	N	36.2	Very low	40.2	Very low	114 Å²	114	83.2 Å²	83.2	61%	0.61	44%	0.435	S	S	*	.			trans	-161.5	137.9	168.3	-107.5	-43.1	0	0	0	111.1
392	T	33	Very low	41.8	Very low	127 Å²	127	82 Å²	82	78%	0.779	43%	0.429	S	S	*	.			trans	-106.6	-6.1	-162.8	36.2	0	0	0	0	115.8
393	E	38.7	Very low	43.8	Very low	167 Å²	167	82.8 Å²	82.8	78%	0.78	43%	0.426	S	S	*	.	S	Bend	trans	-114.7	3.9	-160	-60.3	-170.6	144.4	0	0	116.6
394	K	39.7	Very low	45.9	Very low	92 Å²	92	83 Å²	83	40%	0.4	43%	0.426	S	S	.	.			trans	-135.4	144.8	-172.7	-56	-177.2	-174.5	170.1	0	112.9	E666 S667 N668 K669	K394-E666 HydrophobicContact CD-CB 4.03Å; K394-E666 HydrophobicContact CD-CG 4.48Å; K394-E666 WeakPolarHBondContact CD-OE1 3.29Å; K394-E666 IonicContact NZ-OE1 3.38Å; K394-E666 PolarHBondContact NZ-OE1 3.41Å; K394-E666 IonicContact NZ-OE2 2.7Å; K394-E666 PolarHBondContact NZ-OE2 2.88Å; K394-S667 CarbonylContact C-O 3.42Å; K394-S667 WeakPolarHBondContact CA-O 3.19Å; K394-S667 WeakPolarHBondContact CB-O 2.95Å; K394-S667 WeakPolarHBondContact CD-OG 3.22Å; K394-S667 VanDerWaalsContact O-O 3.12Å; K394-N668 CarbonylContact O-C 3.58Å; K394-K669 WeakPolarHBondContact O-CG 3.15Å
395	T	38.5	Very low	47.3	Very low	101 Å²	101	81.7 Å²	81.7	62%	0.62	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-100	123.8	-179.8	47.1	0	0	0	0	112.1	S667	T395-S667 CarbonylContact C-O 3.54Å; T395-S667 WeakPolarHBondContact CA-O 3.34Å; T395-S667 PolarHBondContact N-O 3.39Å; T395-S667 CarbonylContact O-C 3.52Å; T395-S667 PolarHBondContact O-N 3.47Å
396	I	44.4	Very low	48	Very low	25 Å²	25	80.8 Å²	80.8	13%	0.128	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-74.1	139.2	166.7	-113.9	142.9	0	0	0	107.5	Y417 S667 N668 K669 T670	I396-Y417 WeakPolarHBondContact CD1-O 2.99Å; I396-Y417 WeakPolarHBondContact CG1-O 3.32Å; I396-Y417 VanDerWaalsContact CG2-CB 3.43Å; I396-Y417 HydrophobicContact CG2-CD1 4.17Å; I396-Y417 HydrophobicContact CG2-CG 4.38Å; I396-S667 PolarHBondContact N-O 3.14Å; I396-N668 VanDerWaalsContact CG1-N 3.27Å; I396-K669 WeakPolarHBondContact CB-O 3.02Å; I396-K669 WeakPolarHBondContact CG2-O 3.33Å; I396-T670 HydrophobicContact CD1-CG2 3.85Å
397	R	44.4	Very low	48.4	Very low	204 Å²	204	74.9 Å²	74.9	77%	0.77	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-96.5	136.9	161.4	-60.7	-178.7	-179.2	-166.6	-2	107.8	I399	R397-I399 PolarHBondContact O-N 2.89Å
398	P	43.4	Very low	48.9	Very low	38 Å²	38	72.3 Å²	72.3	25%	0.247	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-59.2	130.5	167.5	24.8	-31.6	0	0	0	109.4	T415 Y417	P398-T415 HydrophobicContact CB-CG2 3.54Å; P398-Y417 HydrophobicContact CB-CD1 3.71Å; P398-Y417 HydrophobicContact CB-CE1 3.95Å; P398-Y417 HydrophobicContact CB-CG 4.17Å
399	I	56.8	Low	50.1	Low	81 Å²	81	72.9 Å²	72.9	42%	0.415	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.8	175.6	-49.5	177.1	0	0	0	107.3	R397 M401 Y416	R397-I399 PolarHBondContact O-N 2.89Å; I399-M401 HydrophobicContact CG2-CG 4.11Å; I399-M401 HydrophobicContact CG2-SD 4.08Å; I399-M401 PolarHBondContact O-N 3.19Å; I399-Y416 CarbonylContact C-O 3.55Å; I399-Y416 VanDerWaalsContact CA-O 3.26Å; I399-Y416 WeakPolarHBondContact CA-O 3Å; I399-Y416 HydrophobicContact CB-CD1 4.5Å; I399-Y416 WeakPolarHBondContact CB-O 3.25Å; I399-Y416 HydrophobicContact CD1-CD1 4.32Å; I399-Y416 PolarHBondContact N-O 2.94Å; I399-Y416 CarbonylContact O-C 3.58Å; I399-Y416 PolarHBondContact O-N 3.13Å
400	L	56.9	Low	51.5	Low	69 Å²	69	74.9 Å²	74.9	36%	0.361	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.5	173	-163.9	78.7	0	0	0	108.7	W413 L980	L400-W413 HydrophobicContact CD2-CD2 4.13Å; L400-W413 HydrophobicContact CD2-CE3 3.52Å; L400-W413 HydrophobicContact CD2-CZ3 3.74Å; L400-W413 HydrophobicContact CG-CD2 4.42Å; L400-W413 HydrophobicContact CG-CE3 3.64Å; L400-W413 HydrophobicContact CG-CZ3 4.15Å; L400-L980 HydrophobicContact CD1-CD2 3.91Å; L400-L980 HydrophobicContact CD1-CG 4.37Å; L400-L980 HydrophobicContact CD2-CD2 3.67Å; L400-L980 HydrophobicContact CG-CD2 4.29Å
401	M	68.6	Low	53.4	Low	27 Å²	27	69.1 Å²	69.1	13%	0.133	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	171.5	-178.6	-68.5	-70.1	-72.5	0	0	109.5	I399 W413 F414 Y416 R425 F426 T427	I399-M401 HydrophobicContact CG2-CG 4.11Å; I399-M401 HydrophobicContact CG2-SD 4.08Å; I399-M401 PolarHBondContact O-N 3.19Å; M401-W413 CarbonylContact O-C 3.57Å; M401-W413 WeakPolarHBondContact O-CA 3.28Å; M401-F414 HydrophobicContact CB-CD1 3.98Å; M401-F414 HydrophobicContact CB-CE1 3.35Å; M401-F414 HydrophobicContact CB-CE2 4.45Å; M401-F414 HydrophobicContact CB-CZ 3.61Å; M401-F414 HydrophobicContact CG-CZ 4.39Å; M401-F414 PolarHBondContact N-O 3.47Å; M401-F414 PolarHBondContact O-N 3.08Å; M401-F414 VanDerWaalsContact O-O 3.09Å; M401-Y416 HydrophobicContact CG-CD1 4.34Å; M401-Y416 HydrophobicContact CG-CG 4.31Å; M401-R425 HydrophobicContact CE-CB 4.13Å; M401-F426 VanDerWaalsContact CE-O 3.31Å; M401-F426 WeakPolarHBondContact CE-O 3.44Å; M401-T427 HydrophobicContact CE-CG2 4.26Å; M401-T427 HydrophobicContact SD-CG2 4.38Å
402	V	71.4	Confident	54.8	Low	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.7	178.1	179.5	0	0	0	0	111	C411 R412 W413 R425 F426 I429 C432	V402-C411 HydrophobicContact CG1-CB 3.91Å; V402-R412 CarbonylContact C-O 3.35Å; V402-R412 VanDerWaalsContact CA-O 3.24Å; V402-R412 WeakPolarHBondContact CA-O 3.08Å; V402-R412 WeakPolarHBondContact CG1-O 2.56Å; V402-W413 HydrophobicContact CG2-CD2 3.39Å; V402-W413 HydrophobicContact CG2-CE3 3.21Å; V402-W413 HydrophobicContact CG2-CG 3.97Å; V402-W413 HydrophobicContact CG2-CH2 4.13Å; V402-W413 HydrophobicContact CG2-CZ2 4.24Å; V402-W413 HydrophobicContact CG2-CZ3 3.61Å; V402-R425 CarbonylContact O-C 3.33Å; V402-R425 VanDerWaalsContact O-CA 3.31Å; V402-R425 WeakPolarHBondContact O-CA 3.47Å; V402-F426 HydrophobicContact CB-CB 4.27Å; V402-F426 PolarHBondContact N-O 3.49Å; V402-F426 PolarHBondContact O-N 2.84Å; V402-I429 HydrophobicContact CG2-CB 4.47Å; V402-C432 HydrophobicContact CB-CB 4.27Å; V402-C432 HydrophobicContact CG1-CB 3.43Å; V402-C432 VanDerWaalsContact CG1-CB 3.43Å
403	Y	72.3	Confident	56.4	Low	49 Å²	49	62.9 Å²	62.9	19%	0.192	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.8	169.5	75.8	-78.7	0	0	0	110	D405 C411 R412 F414	Y403-D405 HydrophobicContact CE2-CB 3.8Å; Y403-C411 WeakPolarHBondContact O-CA 3.1Å; Y403-R412 HydrophobicContact CD1-CB 4.28Å; Y403-R412 WeakPolarHBondContact CD1-O 3.34Å; Y403-R412 HydrophobicContact CE1-CB 3.66Å; Y403-R412 PolarHBondContact N-O 2.81Å; Y403-R412 PolarHBondContact O-N 2.81Å; Y403-F414 HydrophobicContact CD1-CB 4.07Å; Y403-F414 AromaticContact CD1-CD1 3.85Å; Y403-F414 HydrophobicContact CD1-CD1 3.85Å; Y403-F414 HydrophobicContact CD1-CG 4.23Å; Y403-F414 HydrophobicContact CE1-CB 4.32Å; Y403-F414 HydrophobicContact CG-CD1 4.46Å
404	F	74	Confident	57.3	Low	4 Å²	4	55.6 Å²	55.6	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.6	172.8	178.6	-101.9	0	0	0	111.4	C312 K406 N424 F426 C436 I440	C312-F404 HydrophobicContact CB-CD1 4.09Å; F404-K406 HydrophobicContact CE1-CB 4.04Å; F404-N424 PolarHBondContact N-OD1 2.87Å; F404-N424 PolarHBondContact O-ND2 3.41Å; F404-F426 HydrophobicContact CB-CE2 4.22Å; F404-C436 HydrophobicContact CB-CB 3.78Å; F404-C436 VanDerWaalsContact CB-SG 3.51Å; F404-C436 HydrophobicContact CD1-CB 3.91Å; F404-C436 HydrophobicContact CD2-CB 3.39Å; F404-C436 HydrophobicContact CE1-CB 4.43Å; F404-C436 HydrophobicContact CE2-CB 3.98Å; F404-C436 HydrophobicContact CG-CB 3.36Å; F404-C436 HydrophobicContact CZ-CB 4.48Å; F404-I440 HydrophobicContact CD1-CD1 4.18Å; F404-I440 HydrophobicContact CE1-CD1 3.27Å; F404-I440 HydrophobicContact CE2-CD1 4.08Å; F404-I440 HydrophobicContact CZ-CB 4.42Å; F404-I440 HydrophobicContact CZ-CD1 3.23Å; F404-I440 HydrophobicContact CZ-CG1 4.36Å; F404-I440 HydrophobicContact CZ-CG2 4.23Å
405	D	62.8	Low	58	Low	14 Å²	14	51.9 Å²	51.9	8%	0.075	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	100.8	174.9	172.9	24.2	0	0	0	111.8	Y403 V407 S408 G409 K410 R412	Y403-D405 HydrophobicContact CE2-CB 3.8Å; D405-V407 PolarHBondContact O-N 2.73Å; D405-V407 WeakPolarHBondContact OD1-CB 3.47Å; D405-V407 PolarHBondContact OD1-N 3.33Å; D405-S408 WeakPolarHBondContact CB-OG 3.2Å; D405-S408 VanDerWaalsContact CG-OG 3.26Å; D405-S408 PolarHBondContact O-N 3.36Å; D405-S408 VanDerWaalsContact O-N 3.07Å; D405-S408 PolarHBondContact O-OG 3.42Å; D405-S408 WeakPolarHBondContact OD2-CB 3.33Å; D405-S408 PolarHBondContact OD2-N 2.93Å; D405-S408 VanDerWaalsContact OD2-N 3.13Å; D405-S408 PolarHBondContact OD2-OG 3.2Å; D405-G409 PolarHBondContact O-N 3.01Å; D405-K410 PolarHBondContact N-O 3.05Å; D405-R412 IonicContact OD2-CZ 3.85Å; D405-R412 IonicContact OD2-NH1 2.77Å; D405-R412 PolarHBondContact OD2-NH1 3.38Å
406	K	47.9	Very low	58.6	Low	95 Å²	95	49.1 Å²	49.1	41%	0.413	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-19.6	174.7	73.2	176.9	-174.5	178.8	0	115	Y315 F404	Y315-K406 PolarHBondContact OH-NZ 2.84Å; F404-K406 HydrophobicContact CE1-CB 4.04Å
407	V	45	Very low	58.7	Low	58 Å²	58	50.1 Å²	50.1	35%	0.352	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-19.7	-177.9	-172.9	0	0	0	0	112	D405 T944	D405-V407 PolarHBondContact O-N 2.73Å; D405-V407 WeakPolarHBondContact OD1-CB 3.47Å; D405-V407 PolarHBondContact OD1-N 3.33Å; V407-T944 HydrophobicContact CB-CG2 4.17Å; V407-T944 HydrophobicContact CG1-CG2 3.85Å
408	S	49.6	Very low	58.7	Low	12 Å²	12	42 Å²	42	8%	0.084	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-17.6	172	63.7	0	0	0	0	114.3	D405 K410 R412 K946	D405-S408 WeakPolarHBondContact CB-OG 3.2Å; D405-S408 VanDerWaalsContact CG-OG 3.26Å; D405-S408 PolarHBondContact O-N 3.36Å; D405-S408 VanDerWaalsContact O-N 3.07Å; D405-S408 PolarHBondContact O-OG 3.42Å; D405-S408 WeakPolarHBondContact OD2-CB 3.33Å; D405-S408 PolarHBondContact OD2-N 2.93Å; D405-S408 VanDerWaalsContact OD2-N 3.13Å; D405-S408 PolarHBondContact OD2-OG 3.2Å; S408-K410 PolarHBondContact OG-N 3.18Å; S408-R412 PolarHBondContact OG-NH1 3.41Å; S408-K946 PolarHBondContact O-NZ 2.94Å
409	G	56.2	Low	58.8	Low	30 Å²	30	41.5 Å²	41.5	31%	0.309	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	14.3	-170.9	0	0	0	0	0	113.1	D405	D405-G409 PolarHBondContact O-N 3.01Å
410	K	65.4	Low	58	Low	133 Å²	133	40.1 Å²	40.1	58%	0.578	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.6	-170.6	-65.3	-162.2	173.4	-160.8	0	112.9	D405 S408	D405-K410 PolarHBondContact N-O 3.05Å; S408-K410 PolarHBondContact OG-N 3.18Å
411	C	75.8	Confident	57.2	Low	11 Å²	11	38.5 Å²	38.5	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	141.7	168.8	-72	0	0	0	0	111.2	V402 Y403 I429 C432 E433	V402-C411 HydrophobicContact CG1-CB 3.91Å; Y403-C411 WeakPolarHBondContact O-CA 3.1Å; C411-I429 HydrophobicContact CB-CG1 3.99Å; C411-C432 HydrophobicContact CB-CB 3.65Å; C411-C432 WeakPolarHBondContact CB-SG 3.24Å; C411-C432 WeakPolarHBondContact SG-CB 2.48Å; C411-C432 PolarHBondContact SG-O 3.19Å; C411-C432 CovalentContact SG-SG 2.03Å; C411-C432 PolarHBondContact SG-SG 3.31Å; C411-E433 HydrophobicContact CB-CG 3.94Å; C411-E433 PolarHBondContact SG-N 3.11Å; C411-E433 VanDerWaalsContact SG-N 3.38Å
412	R	66.4	Low	56.1	Low	25 Å²	25	38.5 Å²	38.5	9%	0.094	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.1	-178.8	-71.2	-150.9	-174.1	97.2	-2.8	113.3	V402 Y403 D405 S408 T944 S945	V402-R412 CarbonylContact C-O 3.35Å; V402-R412 VanDerWaalsContact CA-O 3.24Å; V402-R412 WeakPolarHBondContact CA-O 3.08Å; V402-R412 WeakPolarHBondContact CG1-O 2.56Å; Y403-R412 HydrophobicContact CD1-CB 4.28Å; Y403-R412 WeakPolarHBondContact CD1-O 3.34Å; Y403-R412 HydrophobicContact CE1-CB 3.66Å; Y403-R412 PolarHBondContact N-O 2.81Å; Y403-R412 PolarHBondContact O-N 2.81Å; D405-R412 IonicContact OD2-CZ 3.85Å; D405-R412 IonicContact OD2-NH1 2.77Å; D405-R412 PolarHBondContact OD2-NH1 3.38Å; S408-R412 PolarHBondContact OG-NH1 3.41Å; R412-T944 PolarHBondContact NH1-O 2.84Å; R412-T944 PolarHBondContact NH2-O 3.29Å; R412-S945 PolarHBondContact NH2-O 2.97Å
413	W	66.8	Low	55.3	Low	86 Å²	86	40 Å²	40	33%	0.326	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	153	178	-55	86.9	0	0	0	112.5	L400 M401 V402 I429 L980	L400-W413 HydrophobicContact CD2-CD2 4.13Å; L400-W413 HydrophobicContact CD2-CE3 3.52Å; L400-W413 HydrophobicContact CD2-CZ3 3.74Å; L400-W413 HydrophobicContact CG-CD2 4.42Å; L400-W413 HydrophobicContact CG-CE3 3.64Å; L400-W413 HydrophobicContact CG-CZ3 4.15Å; M401-W413 CarbonylContact O-C 3.57Å; M401-W413 WeakPolarHBondContact O-CA 3.28Å; V402-W413 HydrophobicContact CG2-CD2 3.39Å; V402-W413 HydrophobicContact CG2-CE3 3.21Å; V402-W413 HydrophobicContact CG2-CG 3.97Å; V402-W413 HydrophobicContact CG2-CH2 4.13Å; V402-W413 HydrophobicContact CG2-CZ2 4.24Å; V402-W413 HydrophobicContact CG2-CZ3 3.61Å; W413-I429 HydrophobicContact CZ2-CB 3.97Å; W413-I429 HydrophobicContact CZ2-CG2 4.21Å; W413-L980 HydrophobicContact CB-CD1 3.82Å; W413-L980 HydrophobicContact CB-CD2 3.79Å; W413-L980 HydrophobicContact CB-CG 3.78Å; W413-L980 HydrophobicContact CD2-CD2 3.99Å; W413-L980 HydrophobicContact CG-CD1 3.91Å; W413-L980 HydrophobicContact CG-CD2 3.63Å; W413-L980 HydrophobicContact CG-CG 4.06Å
414	F	57.8	Low	54.8	Low	13 Å²	13	38.7 Å²	38.7	6%	0.057	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154.8	171.7	79.8	-75.2	0	0	0	110.1	P380 M401 Y403 Y416 R425	P380-F414 HydrophobicContact CB-CD2 4.38Å; P380-F414 HydrophobicContact CB-CE2 4.16Å; M401-F414 HydrophobicContact CB-CD1 3.98Å; M401-F414 HydrophobicContact CB-CE1 3.35Å; M401-F414 HydrophobicContact CB-CE2 4.45Å; M401-F414 HydrophobicContact CB-CZ 3.61Å; M401-F414 HydrophobicContact CG-CZ 4.39Å; M401-F414 PolarHBondContact N-O 3.47Å; M401-F414 PolarHBondContact O-N 3.08Å; M401-F414 VanDerWaalsContact O-O 3.09Å; Y403-F414 HydrophobicContact CD1-CB 4.07Å; Y403-F414 AromaticContact CD1-CD1 3.85Å; Y403-F414 HydrophobicContact CD1-CD1 3.85Å; Y403-F414 HydrophobicContact CD1-CG 4.23Å; Y403-F414 HydrophobicContact CE1-CB 4.32Å; Y403-F414 HydrophobicContact CG-CD1 4.46Å; F414-Y416 PolarHBondContact O-N 3.04Å; F414-R425 HydrophobicContact CE1-CB 4.42Å; F414-R425 HydrophobicContact CE1-CG 4.2Å; F414-R425 HydrophobicContact CZ-CB 4.23Å; F414-R425 HydrophobicContact CZ-CG 3.68Å
415	T	53.3	Low	54.6	Low	14 Å²	14	41.9 Å²	41.9	9%	0.086	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	107.7	179.7	-42.6	0	0	0	0	110.8	P398 Y417	P398-T415 HydrophobicContact CB-CG2 3.54Å; T415-Y417 HydrophobicContact CG2-CD1 4.5Å; T415-Y417 HydrophobicContact CG2-CD2 3.68Å; T415-Y417 HydrophobicContact CG2-CE1 4.29Å; T415-Y417 HydrophobicContact CG2-CE2 3.44Å; T415-Y417 VanDerWaalsContact CG2-CE2 3.44Å; T415-Y417 HydrophobicContact CG2-CG 4.23Å; T415-Y417 WeakPolarHBondContact O-CD2 3.05Å
416	Y	51	Low	55.3	Low	44 Å²	44	41.2 Å²	41.2	17%	0.173	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.9	168.6	178.3	-114.9	0	0	0	109.1	I399 M401 F414 G418 C419 G420	I399-Y416 CarbonylContact C-O 3.55Å; I399-Y416 VanDerWaalsContact CA-O 3.26Å; I399-Y416 WeakPolarHBondContact CA-O 3Å; I399-Y416 HydrophobicContact CB-CD1 4.5Å; I399-Y416 WeakPolarHBondContact CB-O 3.25Å; I399-Y416 HydrophobicContact CD1-CD1 4.32Å; I399-Y416 PolarHBondContact N-O 2.94Å; I399-Y416 CarbonylContact O-C 3.58Å; I399-Y416 PolarHBondContact O-N 3.13Å; M401-Y416 HydrophobicContact CG-CD1 4.34Å; M401-Y416 HydrophobicContact CG-CG 4.31Å; F414-Y416 PolarHBondContact O-N 3.04Å; Y416-G418 PolarHBondContact OH-O 2.96Å; Y416-C419 PolarHBondContact OH-N 3.3Å; Y416-G420 WeakPolarHBondContact CE2-O 3.1Å
417	Y	46.5	Very low	56.3	Low	46 Å²	46	41 Å²	41	18%	0.18	24%	0.244	C	C	.	.			trans	-122.3	51.8	175.3	-11.5	-161.3	0	0	0	109.9	I396 P398 T415 I671	I396-Y417 WeakPolarHBondContact CD1-O 2.99Å; I396-Y417 WeakPolarHBondContact CG1-O 3.32Å; I396-Y417 VanDerWaalsContact CG2-CB 3.43Å; I396-Y417 HydrophobicContact CG2-CD1 4.17Å; I396-Y417 HydrophobicContact CG2-CG 4.38Å; P398-Y417 HydrophobicContact CB-CD1 3.71Å; P398-Y417 HydrophobicContact CB-CE1 3.95Å; P398-Y417 HydrophobicContact CB-CG 4.17Å; T415-Y417 HydrophobicContact CG2-CD1 4.5Å; T415-Y417 HydrophobicContact CG2-CD2 3.68Å; T415-Y417 HydrophobicContact CG2-CE1 4.29Å; T415-Y417 HydrophobicContact CG2-CE2 3.44Å; T415-Y417 VanDerWaalsContact CG2-CE2 3.44Å; T415-Y417 HydrophobicContact CG2-CG 4.23Å; T415-Y417 WeakPolarHBondContact O-CD2 3.05Å; Y417-I671 VanDerWaalsContact C-CD1 3.48Å; Y417-I671 VanDerWaalsContact C-CG1 3.44Å; Y417-I671 VanDerWaalsContact CA-CG1 3.44Å; Y417-I671 VanDerWaalsContact CB-CG1 3.42Å; Y417-I671 HydrophobicContact CD2-CB 4.02Å; Y417-I671 HydrophobicContact CD2-CG1 3.47Å; Y417-I671 VanDerWaalsContact CD2-CG1 3.47Å; Y417-I671 HydrophobicContact CE2-CG1 4.43Å; Y417-I671 VanDerWaalsContact CG-CA 3.44Å; Y417-I671 HydrophobicContact CG-CB 3.95Å; Y417-I671 HydrophobicContact CG-CG1 3.65Å; Y417-I671 VanDerWaalsContact N-CG1 3.33Å; Y417-I671 WeakPolarHBondContact O-CD1 3.22Å; Y417-I671 VanDerWaalsContact O-CG1 3.27Å; Y417-I671 WeakPolarHBondContact O-CG1 3.49Å
418	G	45	Very low	57.6	Low	32 Å²	32	40 Å²	40	33%	0.33	24%	0.24	S	C	.	.	S	Bend	trans	98	-10.1	153.7	0	0	0	0	0	120.8	Y416	Y416-G418 PolarHBondContact OH-O 2.96Å
419	C	45.5	Very low	58.9	Low	29 Å²	29	42 Å²	42	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	-143.4	141.8	175	61.3	0	0	0	0	114.2	C387 Y416 T670 I671	C387-C419 HydrophobicContact CB-CB 3.97Å; C387-C419 WeakPolarHBondContact CB-SG 3.3Å; C387-C419 WeakPolarHBondContact SG-CB 3.36Å; C387-C419 CovalentContact SG-SG 2.06Å; C387-C419 PolarHBondContact SG-SG 2.78Å; Y416-C419 PolarHBondContact OH-N 3.3Å; C419-T670 WeakPolarHBondContact SG-CG2 3.42Å; C419-I671 WeakPolarHBondContact O-CD1 3.14Å
420	G	40.4	Very low	59.8	Low	51 Å²	51	44.4 Å²	44.4	53%	0.526	26%	0.257	S	S	.	.			trans	73.6	172.8	171.9	0	0	0	0	0	116.4	Y416 R425	Y416-G420 WeakPolarHBondContact CE2-O 3.1Å; G420-R425 PolarHBondContact O-NH1 2.87Å
421	G	40	Very low	60.4	Low	36 Å²	36	40.9 Å²	40.9	37%	0.371	24%	0.243	S	C	.	.			trans	106.7	158.9	174	0	0	0	0	0	115.1	R425	G421-R425 PolarHBondContact O-NH1 2.89Å
422	S	44.5	Very low	60.5	Low	26 Å²	26	40.3 Å²	40.3	18%	0.182	24%	0.239	C	C	.	.			trans	-67.1	168.7	-177.8	55	0	0	0	0	113.8	N424 R425	S422-N424 PolarHBondContact O-N 3.36Å; S422-R425 PolarHBondContact O-NE 2.74Å; S422-R425 PolarHBondContact O-NH2 3.37Å
423	A	55	Low	61	Low	33 Å²	33	43.4 Å²	43.4	27%	0.273	26%	0.255	S	S	.	.	S	Bend	trans	-66.3	-19.3	179.5	0	0	0	0	0	114.4	K311 R425	K311-A423 HydrophobicContact CB-CB 3.97Å; K311-A423 WeakPolarHBondContact CB-O 3.33Å; K311-A423 HydrophobicContact CD-CB 4.04Å; K311-A423 WeakPolarHBondContact CD-O 3.38Å; K311-A423 HydrophobicContact CG-CB 3.58Å; A423-R425 PolarHBondContact O-N 3.3Å
424	N	62.7	Low	61.2	Low	21 Å²	21	44.7 Å²	44.7	11%	0.112	27%	0.268	C	S	.	.			trans	-63.6	71.5	174	-161.7	-17.4	0	0	0	112.7	K311 F404 S422	K311-N424 WeakPolarHBondContact O-CA 3.49Å; K311-N424 WeakPolarHBondContact O-CB 3.41Å; K311-N424 VanDerWaalsContact O-CG 3.29Å; K311-N424 PolarHBondContact O-N 2.03Å; F404-N424 PolarHBondContact N-OD1 2.87Å; F404-N424 PolarHBondContact O-ND2 3.41Å; S422-N424 PolarHBondContact O-N 3.36Å
425	R	69	Low	61.8	Low	70 Å²	70	45 Å²	45	26%	0.264	27%	0.271	S	S	.	.			trans	-151.6	133.1	178.4	-56.3	-178.7	-62.8	-119	-23.9	108.8	M401 V402 F414 G420 G421 S422 A423	M401-R425 HydrophobicContact CE-CB 4.13Å; V402-R425 CarbonylContact O-C 3.33Å; V402-R425 VanDerWaalsContact O-CA 3.31Å; V402-R425 WeakPolarHBondContact O-CA 3.47Å; F414-R425 HydrophobicContact CE1-CB 4.42Å; F414-R425 HydrophobicContact CE1-CG 4.2Å; F414-R425 HydrophobicContact CZ-CB 4.23Å; F414-R425 HydrophobicContact CZ-CG 3.68Å; G420-R425 PolarHBondContact O-NH1 2.87Å; G421-R425 PolarHBondContact O-NH1 2.89Å; S422-R425 PolarHBondContact O-NE 2.74Å; S422-R425 PolarHBondContact O-NH2 3.37Å; A423-R425 PolarHBondContact O-N 3.3Å
426	F	76.7	Confident	62.7	Low	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-134.4	154	-178.5	-52.5	-75.7	0	0	0	108.5	L308 K311 M401 V402 F404 E431 C432 T435	L308-F426 HydrophobicContact CD2-CE1 4.25Å; K311-F426 HydrophobicContact CB-CZ 4.4Å; M401-F426 VanDerWaalsContact CE-O 3.31Å; M401-F426 WeakPolarHBondContact CE-O 3.44Å; V402-F426 HydrophobicContact CB-CB 4.27Å; V402-F426 PolarHBondContact N-O 3.49Å; V402-F426 PolarHBondContact O-N 2.84Å; F404-F426 HydrophobicContact CB-CE2 4.22Å; F426-E431 HydrophobicContact CB-CB 4.18Å; F426-E431 HydrophobicContact CB-CG 4.15Å; F426-E431 HydrophobicContact CD1-CG 4.04Å; F426-C432 HydrophobicContact CB-CB 3.91Å; F426-C432 HydrophobicContact CD2-CB 3.42Å; F426-C432 VanDerWaalsContact CD2-CB 3.42Å; F426-C432 HydrophobicContact CE2-CB 4.09Å; F426-C432 HydrophobicContact CG-CB 3.7Å; F426-T435 HydrophobicContact CE1-CG2 3.66Å; F426-T435 HydrophobicContact CZ-CG2 3.94Å
427	T	68.6	Low	63.1	Low	91 Å²	91	43.6 Å²	43.6	56%	0.558	27%	0.273	S	S	*	.	S	Bend	trans	-83	-20.1	-177.4	64.3	0	0	0	0	113.7	M401 E431	M401-T427 HydrophobicContact CE-CG2 4.26Å; M401-T427 HydrophobicContact SD-CG2 4.38Å; T427-E431 WeakPolarHBondContact CB-OE2 3.38Å; T427-E431 PolarHBondContact N-OE2 3.06Å; T427-E431 PolarHBondContact OG1-OE2 2.95Å
428	S	73.8	Confident	63.7	Low	37 Å²	37	48.8 Å²	48.8	26%	0.259	30%	0.303	S	S	.	.	S	Bend	trans	-145.8	162	-178.4	60.5	0	0	0	0	111.6	T430 E431 C432	S428-T430 PolarHBondContact O-N 3.46Å; S428-E431 PolarHBondContact O-N 3.19Å; S428-E431 WeakPolarHBondContact OG-CB 2.97Å; S428-E431 PolarHBondContact OG-N 3.33Å; S428-C432 PolarHBondContact O-N 2.87Å
429	I	76	Confident	63.9	Low	55 Å²	55	52.5 Å²	52.5	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-39.4	173.9	-161.6	169.9	0	0	0	110.5	V402 C411 W413 E431 C432 E433	V402-I429 HydrophobicContact CG2-CB 4.47Å; C411-I429 HydrophobicContact CB-CG1 3.99Å; W413-I429 HydrophobicContact CZ2-CB 3.97Å; W413-I429 HydrophobicContact CZ2-CG2 4.21Å; I429-E431 PolarHBondContact O-N 2.91Å; I429-C432 WeakPolarHBondContact O-CB 3.48Å; I429-C432 PolarHBondContact O-N 2.82Å; I429-E433 HydrophobicContact CG1-CG 4.32Å; I429-E433 WeakPolarHBondContact O-CB 3.01Å; I429-E433 WeakPolarHBondContact O-CG 3.35Å; I429-E433 PolarHBondContact O-N 2.88Å
430	T	75.2	Confident	64	Low	79 Å²	79	51.7 Å²	51.7	49%	0.485	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-41.8	175.9	-41.4	0	0	0	0	112.9	S428 E433 N434	S428-T430 PolarHBondContact O-N 3.46Å; T430-E433 PolarHBondContact O-N 2.94Å; T430-N434 WeakPolarHBondContact O-CB 3.3Å; T430-N434 PolarHBondContact O-N 3.4Å; T430-N434 PolarHBondContact O-ND2 2.81Å
431	E	77.7	Confident	63.8	Low	59 Å²	59	52.3 Å²	52.3	28%	0.276	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.1	-174.5	-166.1	152.7	0	0	111.6	F426 T427 S428 I429 T435	F426-E431 HydrophobicContact CB-CB 4.18Å; F426-E431 HydrophobicContact CB-CG 4.15Å; F426-E431 HydrophobicContact CD1-CG 4.04Å; T427-E431 WeakPolarHBondContact CB-OE2 3.38Å; T427-E431 PolarHBondContact N-OE2 3.06Å; T427-E431 PolarHBondContact OG1-OE2 2.95Å; S428-E431 PolarHBondContact O-N 3.19Å; S428-E431 WeakPolarHBondContact OG-CB 2.97Å; S428-E431 PolarHBondContact OG-N 3.33Å; I429-E431 PolarHBondContact O-N 2.91Å; E431-T435 WeakPolarHBondContact O-CB 3.5Å; E431-T435 PolarHBondContact O-N 3.44Å; E431-T435 VanDerWaalsContact O-N 3.09Å; E431-T435 PolarHBondContact O-OG1 3.37Å
432	C	79.3	Confident	63.9	Low	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-44.4	176.1	178.4	0	0	0	0	112	V402 C411 F426 S428 I429 T435 C436	V402-C432 HydrophobicContact CB-CB 4.27Å; V402-C432 HydrophobicContact CG1-CB 3.43Å; V402-C432 VanDerWaalsContact CG1-CB 3.43Å; C411-C432 HydrophobicContact CB-CB 3.65Å; C411-C432 WeakPolarHBondContact CB-SG 3.24Å; C411-C432 WeakPolarHBondContact SG-CB 2.48Å; C411-C432 PolarHBondContact SG-O 3.19Å; C411-C432 CovalentContact SG-SG 2.03Å; C411-C432 PolarHBondContact SG-SG 3.31Å; F426-C432 HydrophobicContact CB-CB 3.91Å; F426-C432 HydrophobicContact CD2-CB 3.42Å; F426-C432 VanDerWaalsContact CD2-CB 3.42Å; F426-C432 HydrophobicContact CE2-CB 4.09Å; F426-C432 HydrophobicContact CG-CB 3.7Å; S428-C432 PolarHBondContact O-N 2.87Å; I429-C432 WeakPolarHBondContact O-CB 3.48Å; I429-C432 PolarHBondContact O-N 2.82Å; C432-T435 PolarHBondContact O-N 2.81Å; C432-T435 VanDerWaalsContact O-N 3.12Å; C432-C436 PolarHBondContact O-N 3.12Å
433	E	76.3	Confident	63.7	Low	89 Å²	89	64.5 Å²	64.5	42%	0.416	35%	0.345	S	S	.	.	I	π-helix	trans	-67.7	-39.3	-179.7	-72.7	173.4	156	0	0	111.1	C411 I429 T430 T435 G437	C411-E433 HydrophobicContact CB-CG 3.94Å; C411-E433 PolarHBondContact SG-N 3.11Å; C411-E433 VanDerWaalsContact SG-N 3.38Å; I429-E433 HydrophobicContact CG1-CG 4.32Å; I429-E433 WeakPolarHBondContact O-CB 3.01Å; I429-E433 WeakPolarHBondContact O-CG 3.35Å; I429-E433 PolarHBondContact O-N 2.88Å; T430-E433 PolarHBondContact O-N 2.94Å; E433-T435 PolarHBondContact O-N 2.65Å; E433-G437 WeakPolarHBondContact O-CA 3.08Å; E433-G437 PolarHBondContact O-N 2.97Å
434	N	70.2	Confident	62.8	Low	113 Å²	113	67.8 Å²	67.8	60%	0.604	36%	0.357	S	S	*	.	I	π-helix	trans	-66.1	-20.5	171.6	-73.1	-20.7	0	0	0	113.9	T430	T430-N434 WeakPolarHBondContact O-CB 3.3Å; T430-N434 PolarHBondContact O-N 3.4Å; T430-N434 PolarHBondContact O-ND2 2.81Å
435	T	71.3	Confident	61.7	Low	21 Å²	21	72.5 Å²	72.5	13%	0.129	38%	0.381	C	S	.	.	I	π-helix	trans	-97.3	-44.1	-179.6	-57.1	0	0	0	0	113.2	L308 F426 E431 C432 E433	L308-T435 HydrophobicContact CB-CG2 3.75Å; L308-T435 HydrophobicContact CD2-CG2 4.12Å; L308-T435 WeakPolarHBondContact O-CG2 3.25Å; F426-T435 HydrophobicContact CE1-CG2 3.66Å; F426-T435 HydrophobicContact CZ-CG2 3.94Å; E431-T435 WeakPolarHBondContact O-CB 3.5Å; E431-T435 PolarHBondContact O-N 3.44Å; E431-T435 VanDerWaalsContact O-N 3.09Å; E431-T435 PolarHBondContact O-OG1 3.37Å; C432-T435 PolarHBondContact O-N 2.81Å; C432-T435 VanDerWaalsContact O-N 3.12Å; E433-T435 PolarHBondContact O-N 2.65Å
436	C	72.5	Confident	60.3	Low	2 Å²	2	73 Å²	73	1%	0.014	39%	0.389	C	S	.	.	I	π-helix	trans	-120.4	-19.4	-171.9	-51.3	0	0	0	0	113.8	C312 F404 C432 I440	C312-C436 HydrophobicContact CB-CB 4.04Å; C312-C436 WeakPolarHBondContact CB-SG 2.98Å; C312-C436 WeakPolarHBondContact SG-CB 3Å; C312-C436 CovalentContact SG-SG 2.04Å; C312-C436 PolarHBondContact SG-SG 2.87Å; F404-C436 HydrophobicContact CB-CB 3.78Å; F404-C436 VanDerWaalsContact CB-SG 3.51Å; F404-C436 HydrophobicContact CD1-CB 3.91Å; F404-C436 HydrophobicContact CD2-CB 3.39Å; F404-C436 HydrophobicContact CE1-CB 4.43Å; F404-C436 HydrophobicContact CE2-CB 3.98Å; F404-C436 HydrophobicContact CG-CB 3.36Å; F404-C436 HydrophobicContact CZ-CB 4.48Å; C432-C436 PolarHBondContact O-N 3.12Å; C436-I440 HydrophobicContact CB-CD1 4.46Å; C436-I440 VanDerWaalsContact O-CD1 3.3Å; C436-I440 WeakPolarHBondContact O-CD1 3.02Å
437	G	59.6	Low	58.5	Low	26 Å²	26	76.9 Å²	76.9	27%	0.268	41%	0.413	S	S	.	.	I	π-helix	trans	-67.7	-46.5	-167.3	0	0	0	0	0	115.1	E433 L439	E433-G437 WeakPolarHBondContact O-CA 3.08Å; E433-G437 PolarHBondContact O-N 2.97Å; G437-L439 PolarHBondContact O-N 3.06Å
438	N	57.3	Low	57.1	Low	154 Å²	154	74.3 Å²	74.3	82%	0.824	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.3	-170	-90.7	-27.4	0	0	0	115.9
439	L	50.2	Low	55.8	Low	110 Å²	110	75 Å²	75	58%	0.576	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.3	-171.2	-89.3	152.2	0	0	0	114.7	I309 G437	I309-L439 HydrophobicContact CD1-CD1 4.19Å; G437-L439 PolarHBondContact O-N 3.06Å
440	I	46.4	Very low	54.5	Low	13 Å²	13	77.6 Å²	77.6	7%	0.067	42%	0.416	C	S	.	.	H	α-helix	trans	-111.3	-28.9	-163.7	-60.5	179.3	0	0	0	112.2	Y313 F404 C436 Y442 I444	Y313-I440 HydrophobicContact CE2-CD1 4.08Å; Y313-I440 WeakPolarHBondContact OH-CD1 3.44Å; Y313-I440 VanDerWaalsContact OH-CG1 3.31Å; Y313-I440 WeakPolarHBondContact OH-CG1 3.42Å; F404-I440 HydrophobicContact CD1-CD1 4.18Å; F404-I440 HydrophobicContact CE1-CD1 3.27Å; F404-I440 HydrophobicContact CE2-CD1 4.08Å; F404-I440 HydrophobicContact CZ-CB 4.42Å; F404-I440 HydrophobicContact CZ-CD1 3.23Å; F404-I440 HydrophobicContact CZ-CG1 4.36Å; F404-I440 HydrophobicContact CZ-CG2 4.23Å; C436-I440 HydrophobicContact CB-CD1 4.46Å; C436-I440 VanDerWaalsContact O-CD1 3.3Å; C436-I440 WeakPolarHBondContact O-CD1 3.02Å; I440-Y442 VanDerWaalsContact C-N 3.28Å; I440-Y442 PolarHBondContact O-N 3.45Å; I440-I444 HydrophobicContact CG2-CD1 4.05Å; I440-I444 WeakPolarHBondContact O-CG1 3.24Å; I440-I444 PolarHBondContact O-N 3.16Å
441	A	38.1	Very low	53.4	Low	63 Å²	63	77.2 Å²	77.2	52%	0.521	41%	0.411	S	S	.	.	H	α-helix	trans	-57.2	-42.6	166.9	0	0	0	0	0	111.7	K443 I444 L445	A441-K443 PolarHBondContact O-N 3.23Å; A441-I444 PolarHBondContact O-N 3.43Å; A441-L445 PolarHBondContact O-N 2.03Å
442	Y	41.5	Very low	52.6	Low	161 Å²	161	74.5 Å²	74.5	63%	0.631	40%	0.398	S	S	*	.	H	α-helix	trans	-60.9	-45.8	-177.6	-172.7	-104	0	0	0	113.4	I440 I444 L445 L446	I440-Y442 VanDerWaalsContact C-N 3.28Å; I440-Y442 PolarHBondContact O-N 3.45Å; Y442-I444 PolarHBondContact O-N 3.17Å; Y442-L445 PolarHBondContact O-N 3.18Å; Y442-L446 HydrophobicContact CD1-CD1 4.23Å; Y442-L446 HydrophobicContact CE1-CD1 3.71Å; Y442-L446 PolarHBondContact O-N 2.67Å
443	K	39.6	Very low	51.4	Low	157 Å²	157	78.9 Å²	78.9	68%	0.683	42%	0.419	S	S	*	.	H	α-helix	trans	-70.7	-28.1	177.6	-74.4	-162.5	172.7	-167.4	0	113.6	A441	A441-K443 PolarHBondContact O-N 3.23Å
444	I	37.2	Very low	50.2	Low	102 Å²	102	79.2 Å²	79.2	52%	0.523	43%	0.427	S	S	.	.	H	α-helix	trans	-75.1	-39.8	176.1	-66.9	171.1	0	0	0	110.7	I440 A441 Y442 L446 A448	I440-I444 HydrophobicContact CG2-CD1 4.05Å; I440-I444 WeakPolarHBondContact O-CG1 3.24Å; I440-I444 PolarHBondContact O-N 3.16Å; A441-I444 PolarHBondContact O-N 3.43Å; Y442-I444 PolarHBondContact O-N 3.17Å; I444-L446 PolarHBondContact O-N 3.03Å; I444-A448 WeakPolarHBondContact O-CB 3.18Å; I444-A448 PolarHBondContact O-N 2.84Å
445	L	38.3	Very low	49.2	Very low	121 Å²	121	74.8 Å²	74.8	63%	0.634	41%	0.406	S	S	*	.	H	α-helix	trans	-58.4	-45.1	173.8	-84.5	160.2	0	0	0	112.4	A441 Y442 A448 S449	A441-L445 PolarHBondContact O-N 2.03Å; Y442-L445 PolarHBondContact O-N 3.18Å; L445-A448 PolarHBondContact O-N 2.77Å; L445-S449 PolarHBondContact O-N 2.84Å
446	L	39.8	Very low	47.9	Very low	80 Å²	80	75 Å²	75	42%	0.419	41%	0.407	S	S	.	.	H	α-helix	trans	-58.1	-52.8	179.7	-106.6	155.4	0	0	0	112.4	Y442 I444 A448 S449 Q450	Y442-L446 HydrophobicContact CD1-CD1 4.23Å; Y442-L446 HydrophobicContact CE1-CD1 3.71Å; Y442-L446 PolarHBondContact O-N 2.67Å; I444-L446 PolarHBondContact O-N 3.03Å; L446-A448 PolarHBondContact O-N 3.48Å; L446-S449 PolarHBondContact O-N 3.2Å; L446-S449 PolarHBondContact O-OG 3.26Å; L446-Q450 PolarHBondContact O-N 2.71Å
447	V	40.1	Very low	46.5	Very low	82 Å²	82	77.2 Å²	77.2	50%	0.497	42%	0.421	S	S	.	.	H	α-helix	trans	-66.8	-36.5	-179.6	178.7	0	0	0	0	111.9	S449 L451	V447-S449 VanDerWaalsContact C-N 3.34Å; V447-S449 PolarHBondContact O-N 3.18Å; V447-L451 HydrophobicContact CG1-CD1 3.96Å; V447-L451 WeakPolarHBondContact O-CG 3.29Å; V447-L451 PolarHBondContact O-N 3.22Å
448	A	37.8	Very low	45.4	Very low	37 Å²	37	81 Å²	81	31%	0.306	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-39.1	175.5	0	0	0	0	0	112.2	I444 L445 L446 L451 C452	I444-A448 WeakPolarHBondContact O-CB 3.18Å; I444-A448 PolarHBondContact O-N 2.84Å; L445-A448 PolarHBondContact O-N 2.77Å; L446-A448 PolarHBondContact O-N 3.48Å; A448-L451 PolarHBondContact O-N 2.78Å; A448-C452 PolarHBondContact O-SG 3.49Å
449	S	46.8	Very low	44.2	Very low	50 Å²	50	81.3 Å²	81.3	35%	0.35	44%	0.435	S	S	.	.	H	α-helix	trans	-64.8	-43.5	179.8	69	0	0	0	0	112.9	L445 L446 V447 L451 C452 Q453	L445-S449 PolarHBondContact O-N 2.84Å; L446-S449 PolarHBondContact O-N 3.2Å; L446-S449 PolarHBondContact O-OG 3.26Å; V447-S449 VanDerWaalsContact C-N 3.34Å; V447-S449 PolarHBondContact O-N 3.18Å; S449-L451 PolarHBondContact O-N 2.62Å; S449-C452 PolarHBondContact O-N 2.91Å; S449-Q453 VanDerWaalsContact O-CD 3.3Å; S449-Q453 VanDerWaalsContact O-CG 3.29Å; S449-Q453 WeakPolarHBondContact O-CG 3.34Å
450	Q	48.9	Very low	43.2	Very low	110 Å²	110	84 Å²	84	51%	0.514	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-38.4	178.7	-65.6	177.1	-71.8	0	0	112.3	L446 C452	L446-Q450 PolarHBondContact O-N 2.71Å; Q450-C452 PolarHBondContact O-N 3.48Å; Q450-C452 VanDerWaalsContact O-N 3.1Å
451	L	52.2	Low	42.2	Very low	71 Å²	71	91.2 Å²	91.2	37%	0.372	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-6	-179.4	-74.8	169.5	0	0	0	114.7	V447 A448 S449 N539	V447-L451 HydrophobicContact CG1-CD1 3.96Å; V447-L451 WeakPolarHBondContact O-CG 3.29Å; V447-L451 PolarHBondContact O-N 3.22Å; A448-L451 PolarHBondContact O-N 2.78Å; S449-L451 PolarHBondContact O-N 2.62Å; L451-N539 WeakPolarHBondContact O-CB 3.42Å
452	C	60.2	Low	41.8	Very low	2 Å²	2	93.4 Å²	93.4	1%	0.014	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-23.1	-176.7	-77.9	0	0	0	0	114.8	A448 S449 Q450 L519 C551	A448-C452 PolarHBondContact O-SG 3.49Å; S449-C452 PolarHBondContact O-N 2.91Å; Q450-C452 PolarHBondContact O-N 3.48Å; Q450-C452 VanDerWaalsContact O-N 3.1Å; C452-L519 HydrophobicContact CB-CB 4.3Å; C452-L519 HydrophobicContact CB-CD2 4.06Å; C452-C551 HydrophobicContact CB-CB 3.68Å; C452-C551 WeakPolarHBondContact CB-SG 3.45Å; C452-C551 WeakPolarHBondContact SG-CA 3.36Å; C452-C551 WeakPolarHBondContact SG-CB 3.27Å; C452-C551 CovalentContact SG-SG 2.03Å; C452-C551 PolarHBondContact SG-SG 3.05Å
453	Q	55.3	Low	41.1	Very low	93 Å²	93	94.7 Å²	94.7	44%	0.435	50%	0.501	S	S	.	.	S	Bend	trans	-90.4	-5.7	-157.6	-73.3	169.5	-10.9	0	0	115.9	S449 V521	S449-Q453 VanDerWaalsContact O-CD 3.3Å; S449-Q453 VanDerWaalsContact O-CG 3.29Å; S449-Q453 WeakPolarHBondContact O-CG 3.34Å; Q453-V521 HydrophobicContact CB-CG2 3.76Å; Q453-V521 HydrophobicContact CG-CG2 3.8Å
454	V	51.8	Low	40.3	Very low	96 Å²	96	99.2 Å²	99.2	58%	0.582	51%	0.514	S	S	*	.			trans	-120.3	88.5	-164.7	-172.9	0	0	0	0	111.5	S537 N539	V454-S537 PolarHBondContact O-OG 2.84Å; V454-N539 PolarHBondContact O-ND2 2.89Å; V454-N539 PolarHBondContact O-OD1 2.8Å
455	A	47.3	Very low	39.7	Very low	20 Å²	20	99.8 Å²	99.8	17%	0.165	53%	0.527	C	S	.	.			trans	-47.7	129.5	177.6	0	0	0	0	0	111.9	T457 T458 Y518 N539	A455-T457 VanDerWaalsContact C-N 3.26Å; A455-T457 PolarHBondContact O-N 3.21Å; A455-T458 HydrophobicContact CB-CG2 4.02Å; A455-Y518 HydrophobicContact CB-CD2 3.77Å; A455-Y518 HydrophobicContact CB-CE1 4.49Å; A455-Y518 HydrophobicContact CB-CE2 3.71Å; A455-Y518 HydrophobicContact CB-CG 4.23Å; A455-N539 WeakPolarHBondContact CA-ND2 3.42Å; A455-N539 PolarHBondContact N-ND2 3.23Å
456	P	45.9	Very low	39.1	Very low	25 Å²	25	105 Å²	105	16%	0.162	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-23	-167.6	-20.2	33.1	0	0	0	114.6	F529 G535 S537	P456-F529 HydrophobicContact CB-CE2 4.44Å; P456-F529 HydrophobicContact CG-CE2 3.97Å; P456-F529 HydrophobicContact CG-CZ 3.73Å; P456-G535 VanDerWaalsContact CB-O 3.28Å; P456-G535 WeakPolarHBondContact CB-O 3.41Å; P456-S537 WeakPolarHBondContact CG-OG 3.44Å
457	T	41.3	Very low	38.4	Very low	48 Å²	48	109.1 Å²	109.1	29%	0.294	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-143.2	64.3	-170.4	55.7	0	0	0	0	111.8	A455 Q459	A455-T457 VanDerWaalsContact C-N 3.26Å; A455-T457 PolarHBondContact O-N 3.21Å; T457-Q459 VanDerWaalsContact C-N 3.31Å; T457-Q459 PolarHBondContact O-N 3.45Å
458	T	37.6	Very low	37.8	Very low	105 Å²	105	113.9 Å²	113.9	64%	0.644	58%	0.576	S	S	*	*			trans	-72.1	80.9	171.7	27.1	0	0	0	0	111.9	A455 L460	A455-T458 HydrophobicContact CB-CG2 4.02Å; T458-L460 VanDerWaalsContact C-N 3.27Å; T458-L460 PolarHBondContact O-N 2.92Å
459	Q	32.6	Very low	37.1	Very low	161 Å²	161	121 Å²	121	75%	0.752	61%	0.605	S	S	*	*			trans	-71.4	84.6	160.7	-81	-166.5	-20.9	0	0	110.1	T457 F461	T457-Q459 VanDerWaalsContact C-N 3.31Å; T457-Q459 PolarHBondContact O-N 3.45Å; Q459-F461 HydrophobicContact CB-CD2 4.1Å; Q459-F461 HydrophobicContact CB-CE2 4.37Å; Q459-F461 HydrophobicContact CG-CE2 4.36Å; Q459-F461 PolarHBondContact O-N 3.24Å
460	L	27.7	Very low	36.1	Very low	166 Å²	166	125.9 Å²	125.9	87%	0.869	63%	0.628	S	S	*	*			trans	-70.4	91.6	166.9	-80	167.1	0	0	0	110.1	T458	T458-L460 VanDerWaalsContact C-N 3.27Å; T458-L460 PolarHBondContact O-N 2.92Å
461	F	27.2	Very low	35.2	Very low	165 Å²	165	126.9 Å²	126.9	72%	0.724	64%	0.641	S	S	*	*			trans	-115.7	150.3	164.9	-78.2	-71.2	0	0	0	110.2	Q459	Q459-F461 HydrophobicContact CB-CD2 4.1Å; Q459-F461 HydrophobicContact CB-CE2 4.37Å; Q459-F461 HydrophobicContact CG-CE2 4.36Å; Q459-F461 PolarHBondContact O-N 3.24Å
462	P	29.8	Very low	33.9	Very low	110 Å²	110	135.5 Å²	135.5	71%	0.714	67%	0.669	S	S	*	*			cis	-133.5	128.8	-14	34.5	-16.1	0	0	0	114
463	Q	24.9	Very low	32.3	Very low	187 Å²	187	140.5 Å²	140.5	87%	0.874	70%	0.704	S	S	*	*	S	Bend	trans	-144.8	77.7	155.6	-74.6	-161.3	16.4	0	0	111.6
464	W	23.9	Very low	30.9	Very low	253 Å²	253	144.8 Å²	144.8	96%	0.958	72%	0.724	S	S	*	*			trans	-169.3	94.1	144.2	-86.8	-18.9	0	0	0	109.8
465	S	24.5	Very low	29.9	Very low	114 Å²	114	147.8 Å²	147.8	80%	0.797	74%	0.735	S	S	*	*			trans	-86.9	128.2	158.4	43.7	0	0	0	0	108.1
466	R	24.6	Very low	28.9	Very low	229 Å²	229	151.2 Å²	151.2	86%	0.864	76%	0.758	S	S	*	*			trans	69.4	132.7	-157.9	-44.3	164.9	-169.7	177.5	2	108.9
467	I	26.8	Very low	28.1	Very low	167 Å²	167	159.7 Å²	159.7	86%	0.856	79%	0.788	S	S	*	*			cis	-128.3	167.9	47	-73.7	151.7	0	0	0	111.8
468	E	26.2	Very low	27.5	Very low	183 Å²	183	164.9 Å²	164.9	86%	0.855	81%	0.814	S	S	*	*			trans	-78.7	167.5	-166.3	-68.2	152.1	126.9	0	0	115.5
469	M	24	Very low	27.2	Very low	185 Å²	185	162.8 Å²	162.8	91%	0.911	81%	0.814	S	S	*	*			trans	-67.5	131.5	166.2	-65.1	171	165.1	0	0	110.5
470	D	24.9	Very low	27.2	Very low	154 Å²	154	164.2 Å²	164.2	82%	0.824	82%	0.82	S	S	*	*			trans	-167.9	172.5	137	-119.8	-30.2	0	0	0	113
471	T	30.8	Very low	27.1	Very low	131 Å²	131	163.9 Å²	163.9	80%	0.804	81%	0.812	S	S	*	*			trans	65.5	81.3	173.1	58.1	0	0	0	0	117.7
472	W	25.6	Very low	27.2	Very low	252 Å²	252	164.8 Å²	164.8	96%	0.955	81%	0.812	S	S	*	*			trans	-69.7	171.4	139.7	-99.3	43.1	0	0	0	110.8
473	S	25.1	Very low	27.2	Very low	107 Å²	107	164 Å²	164	75%	0.748	81%	0.809	S	S	*	*			trans	84.6	155.1	172.5	80.2	0	0	0	0	117.3
474	E	27.3	Very low	27.3	Very low	182 Å²	182	164.3 Å²	164.3	85%	0.85	81%	0.807	S	S	*	*			trans	67.1	134	-170.7	-51.5	-168.1	-175.2	0	0	113.3
475	I	30.8	Very low	27.6	Very low	160 Å²	160	161.1 Å²	161.1	82%	0.821	80%	0.803	S	S	*	*			cis	-133.8	157.7	4.4	-64.4	179.4	0	0	0	109.7
476	S	25	Very low	27.7	Very low	91 Å²	91	165.6 Å²	165.6	64%	0.636	81%	0.809	S	S	*	*			trans	-134.6	173	165.7	60.4	0	0	0	0	111.4
477	Y	29.3	Very low	27.9	Very low	204 Å²	204	160.1 Å²	160.1	80%	0.8	81%	0.805	S	S	*	*			trans	90.8	133.2	179.6	-71.4	-93.5	0	0	0	119.1
478	D	29.4	Very low	27.9	Very low	156 Å²	156	160.5 Å²	160.5	83%	0.834	80%	0.804	S	S	*	*			trans	45.9	141.1	152.9	-52.7	-21.9	0	0	0	121.7
479	G	30.2	Very low	27.9	Very low	62 Å²	62	157.8 Å²	157.8	64%	0.639	80%	0.802	S	S	*	*			cis	160.9	168.4	-5.5	0	0	0	0	0	113
480	Q	32.6	Very low	28.1	Very low	190 Å²	190	155.3 Å²	155.3	89%	0.888	79%	0.791	S	S	*	*			trans	71.8	155.6	168	-48	-176.7	22.3	0	0	117.9
481	F	27	Very low	28.3	Very low	160 Å²	160	154 Å²	154	70%	0.702	78%	0.783	S	S	*	*			cis	-166.4	155.3	-42.1	-122.8	-60.3	0	0	0	112.5
482	Y	29.4	Very low	28.3	Very low	184 Å²	184	155.3 Å²	155.3	72%	0.722	78%	0.778	S	S	*	*			trans	73.1	92.9	149.8	-71.3	-55	0	0	0	125.4
483	S	28.5	Very low	28.6	Very low	94 Å²	94	148.4 Å²	148.4	66%	0.657	76%	0.76	S	S	*	*				89.3	147.5	108.4	79.6	0	0	0	0	124.5
484	K	27.7	Very low	28.9	Very low	192 Å²	192	150.6 Å²	150.6	84%	0.835	76%	0.763	S	S	*	*			trans	77.7	142.3	169.5	-61.4	178.6	-174	171.9	0	115.4
485	E	30.1	Very low	29.3	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.874	75%	0.75	S	S	*	*			cis	-108.9	-154.5	3.8	-71.3	-153.7	115.1	0	0	114.2
486	K	26	Very low	29.5	Very low	208 Å²	208	142.7 Å²	142.7	90%	0.904	73%	0.73	S	S	*	*			trans	-108.9	113.2	-162.9	-61.5	167.3	-172.4	153.6	0	113.1
487	S	28.3	Very low	29.7	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	73%	0.733	S	S	*	*			trans	-127.9	142.6	149.4	45.9	0	0	0	0	108.1
488	E	27.4	Very low	30	Very low	175 Å²	175	142 Å²	142	82%	0.818	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-75.8	138.1	174.8	-67.8	176.4	157.1	0	0	108.5	I490	E488-I490 PolarHBondContact O-N 2.74Å
489	P	26.8	Very low	30.3	Very low	126 Å²	126	137 Å²	137	82%	0.818	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-66.9	118.7	-165.6	25.2	-34.1	0	0	0	111.6	L491	P489-L491 PolarHBondContact O-N 2.98Å
490	I	27.6	Very low	30.4	Very low	133 Å²	133	136.8 Å²	136.8	68%	0.682	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69.4	121.4	168	-56.9	176	0	0	0	106.9	E488 D493	E488-I490 PolarHBondContact O-N 2.74Å; I490-D493 WeakPolarHBondContact CG2-OD2 3.26Å
491	L	29.6	Very low	30.3	Very low	127 Å²	127	133 Å²	133	67%	0.665	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	133.9	179.4	-149	66.6	0	0	0	108.9	P489	P489-L491 PolarHBondContact O-N 2.98Å
492	F	31.3	Very low	30.8	Very low	157 Å²	157	133.9 Å²	133.9	69%	0.689	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.1	-16.3	171.1	-47	-64.8	0	0	0	120.8	N494 L495	F492-N494 PolarHBondContact O-N 2.96Å; F492-L495 HydrophobicContact CD1-CD1 4.47Å
493	D	31.2	Very low	31.2	Very low	107 Å²	107	131 Å²	131	57%	0.572	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	19.4	-172.9	-76.5	-27.2	0	0	0	117	I490	I490-D493 WeakPolarHBondContact CG2-OD2 3.26Å
494	N	31.8	Very low	31.6	Very low	154 Å²	154	130.7 Å²	130.7	82%	0.824	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.7	19.7	-175.7	-104.5	-45.5	0	0	0	116.7	F492 T496	F492-N494 PolarHBondContact O-N 2.96Å; N494-T496 PolarHBondContact O-N 3.39Å
495	L	35.1	Very low	32.1	Very low	109 Å²	109	127.2 Å²	127.2	57%	0.571	65%	0.649	S	S	*	*			trans	-82.8	111.6	174.9	-81.8	164.1	0	0	0	111.1	F492 D499	F492-L495 HydrophobicContact CD1-CD1 4.47Å; L495-D499 HydrophobicContact CD2-CB 4.27Å
496	T	34.2	Very low	32.5	Very low	67 Å²	67	124.6 Å²	124.6	41%	0.411	64%	0.637	S	S	.	*			trans	-81	163.6	173.6	80	0	0	0	0	111.7	N494 I498 D499 A500	N494-T496 PolarHBondContact O-N 3.39Å; T496-I498 PolarHBondContact O-N 2.93Å; T496-I498 PolarHBondContact OG1-N 2.75Å; T496-D499 WeakPolarHBondContact CB-OD2 3.48Å; T496-D499 WeakPolarHBondContact CG2-OD2 3.2Å; T496-D499 PolarHBondContact O-N 3.31Å; T496-D499 PolarHBondContact OG1-N 3.22Å; T496-D499 PolarHBondContact OG1-OD2 2.98Å; T496-A500 PolarHBondContact O-N 2.94Å
497	Y	31.1	Very low	33.5	Very low	176 Å²	176	117.7 Å²	117.7	69%	0.69	61%	0.614	S	S	*	*	H	α-helix	trans	-53.8	-37.2	172.2	179	-101	0	0	0	112.9	A500 M501	Y497-A500 PolarHBondContact O-N 3.47Å; Y497-M501 HydrophobicContact CD1-SD 4.12Å; Y497-M501 HydrophobicContact CE1-CE 3.84Å; Y497-M501 HydrophobicContact CE1-CG 4.43Å; Y497-M501 HydrophobicContact CE1-SD 3.5Å; Y497-M501 VanDerWaalsContact CE1-SD 3.5Å; Y497-M501 HydrophobicContact CE2-CE 4.37Å; Y497-M501 WeakPolarHBondContact O-CG 3.47Å; Y497-M501 PolarHBondContact O-N 3.22Å; Y497-M501 WeakPolarHBondContact OH-CE 3.24Å
498	I	34	Very low	34.1	Very low	103 Å²	103	115.5 Å²	115.5	53%	0.528	60%	0.603	S	S	.	*	H	α-helix	trans	-70.8	-37.1	178.1	-62.3	175	0	0	0	110.7	T496 M501 R502	T496-I498 PolarHBondContact O-N 2.93Å; T496-I498 PolarHBondContact OG1-N 2.75Å; I498-M501 PolarHBondContact O-N 3.25Å; I498-R502 VanDerWaalsContact O-CG 3.29Å; I498-R502 WeakPolarHBondContact O-CG 3.01Å; I498-R502 PolarHBondContact O-N 3.44Å
499	D	36.4	Very low	34.5	Very low	52 Å²	52	114 Å²	114	28%	0.278	60%	0.6	S	S	.	*	H	α-helix	trans	-76.9	-26.3	178.7	-56	-53.6	0	0	0	112.4	L495 T496 R502 I503	L495-D499 HydrophobicContact CD2-CB 4.27Å; T496-D499 WeakPolarHBondContact CB-OD2 3.48Å; T496-D499 WeakPolarHBondContact CG2-OD2 3.2Å; T496-D499 PolarHBondContact O-N 3.31Å; T496-D499 PolarHBondContact OG1-N 3.22Å; T496-D499 PolarHBondContact OG1-OD2 2.98Å; D499-R502 IonicContact OD1-CZ 2.69Å; D499-R502 IonicContact OD1-NH1 3.65Å; D499-R502 PolarHBondContact OD1-NH1 2.74Å; D499-I503 WeakPolarHBondContact O-CD1 3.17Å; D499-I503 WeakPolarHBondContact O-CG1 3.15Å
500	A	32.3	Very low	34.9	Very low	58 Å²	58	110.8 Å²	110.8	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-66.8	-47	164.9	0	0	0	0	0	111.7	T496 Y497 R502 I503	T496-A500 PolarHBondContact O-N 2.94Å; Y497-A500 PolarHBondContact O-N 3.47Å; A500-R502 PolarHBondContact O-N 3.03Å; A500-I503 PolarHBondContact O-N 3.02Å; A500-I503 VanDerWaalsContact O-N 3.12Å
501	M	30.9	Very low	35.2	Very low	110 Å²	110	105.9 Å²	105.9	54%	0.542	56%	0.561	S	S	.	*	H	α-helix	trans	-63.9	-24.1	177.1	-79.2	-170.1	148.6	0	0	114.1	Y497 I498 I503	Y497-M501 HydrophobicContact CD1-SD 4.12Å; Y497-M501 HydrophobicContact CE1-CE 3.84Å; Y497-M501 HydrophobicContact CE1-CG 4.43Å; Y497-M501 HydrophobicContact CE1-SD 3.5Å; Y497-M501 VanDerWaalsContact CE1-SD 3.5Å; Y497-M501 HydrophobicContact CE2-CE 4.37Å; Y497-M501 WeakPolarHBondContact O-CG 3.47Å; Y497-M501 PolarHBondContact O-N 3.22Å; Y497-M501 WeakPolarHBondContact OH-CE 3.24Å; I498-M501 PolarHBondContact O-N 3.25Å; M501-I503 VanDerWaalsContact C-N 3.27Å; M501-I503 PolarHBondContact O-N 3.12Å
502	R	37.8	Very low	35.7	Very low	178 Å²	178	106.8 Å²	106.8	67%	0.672	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-11.5	174.7	-79	167.3	172	163.4	-3.9	114.4	I498 D499 A500	I498-R502 VanDerWaalsContact O-CG 3.29Å; I498-R502 WeakPolarHBondContact O-CG 3.01Å; I498-R502 PolarHBondContact O-N 3.44Å; D499-R502 IonicContact OD1-CZ 2.69Å; D499-R502 IonicContact OD1-NH1 3.65Å; D499-R502 PolarHBondContact OD1-NH1 2.74Å; A500-R502 PolarHBondContact O-N 3.03Å
503	I	38.2	Very low	36.6	Very low	124 Å²	124	102.5 Å²	102.5	64%	0.636	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-33.5	-175.1	-68.5	167.8	0	0	0	112.4	D499 A500 M501	D499-I503 WeakPolarHBondContact O-CD1 3.17Å; D499-I503 WeakPolarHBondContact O-CG1 3.15Å; A500-I503 PolarHBondContact O-N 3.02Å; A500-I503 VanDerWaalsContact O-N 3.12Å; M501-I503 VanDerWaalsContact C-N 3.27Å; M501-I503 PolarHBondContact O-N 3.12Å
504	E	35.6	Very low	37.5	Very low	87 Å²	87	101 Å²	101	41%	0.407	53%	0.533	S	S	.	.			trans	-134.2	96.8	169.9	-79.7	-166.3	121	0	0	111.3	E506 R723	E504-E506 PolarHBondContact O-N 2.82Å; E504-E506 VanDerWaalsContact O-N 3.08Å; E504-R723 IonicContact OE1-CZ 2.65Å; E504-R723 IonicContact OE1-NH1 2.62Å; E504-R723 PolarHBondContact OE1-NH1 3.03Å; E504-R723 IonicContact OE1-NH2 3.47Å; E504-R723 PolarHBondContact OE1-NH2 2.93Å
505	P	37.9	Very low	38.8	Very low	120 Å²	120	95.8 Å²	95.8	78%	0.779	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.2	179.6	-23.3	35.1	0	0	0	116.2
506	E	39.2	Very low	40.8	Very low	132 Å²	132	92.9 Å²	92.9	62%	0.617	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	8.1	-167	-58.9	-170.3	164.1	0	0	114.8	E504 A508 F721	E504-E506 PolarHBondContact O-N 2.82Å; E504-E506 VanDerWaalsContact O-N 3.08Å; E506-A508 PolarHBondContact O-N 3.18Å; E506-F721 HydrophobicContact CB-CE1 4.15Å
507	C	47.7	Very low	42.9	Very low	62 Å²	62	91.3 Å²	91.3	42%	0.419	48%	0.477	S	S	.	.			trans	-74.7	56.6	179.9	-98.4	0	0	0	0	113.7	C534	C507-C534 HydrophobicContact CB-CB 3.91Å; C507-C534 WeakPolarHBondContact CB-SG 3.3Å; C507-C534 WeakPolarHBondContact SG-CB 3.4Å; C507-C534 CovalentContact SG-SG 2.05Å; C507-C534 PolarHBondContact SG-SG 3.34Å
508	A	40.3	Very low	45	Very low	68 Å²	68	84.7 Å²	84.7	56%	0.562	45%	0.451	S	S	*	.			trans	-109.5	117.8	177	0	0	0	0	0	112.1	E506	E506-A508 PolarHBondContact O-N 3.18Å
509	N	35.6	Very low	47.1	Very low	143 Å²	143	80.4 Å²	80.4	77%	0.765	43%	0.429	S	S	*	.	S	Bend	trans	67.9	90.7	171.1	-70.9	-34.5	0	0	0	119.6
510	V	35	Very low	48.8	Very low	59 Å²	59	78.9 Å²	78.9	36%	0.358	42%	0.421	S	S	.	.				38	113.3	126	-172.1	0	0	0	0	118.6	H513 L704	V510-H513 VanDerWaalsContact CG1-NE2 3.33Å; V510-H513 WeakPolarHBondContact CG1-NE2 3.4Å; V510-L704 HydrophobicContact CG1-CD1 3.89Å
511	G	33.9	Very low	50.2	Low	30 Å²	30	79.9 Å²	79.9	31%	0.309	42%	0.42	S	S	.	.	S	Bend	trans	-117.2	-37.1	170.8	0	0	0	0	0	115.8	C741	G511-C741 VanDerWaalsContact CA-SG 3.52Å
512	Q	40.5	Very low	51.9	Low	147 Å²	147	83.4 Å²	83.4	69%	0.687	44%	0.436	S	S	*	.			trans	-159.7	137.1	169	-110.8	171.1	-13.4	0	0	107.1	H533	Q512-H533 PolarHBondContact O-CD2 3.2Å; Q512-H533 VanDerWaalsContact O-CD2 3.23Å
513	H	49.9	Very low	53.7	Low	67 Å²	67	78.1 Å²	78.1	31%	0.31	42%	0.423	S	S	.	.			trans	-95.9	115.1	170.1	-72.9	-89.1	0	0	0	108.8	V510 A530 Y531	V510-H513 VanDerWaalsContact CG1-NE2 3.33Å; V510-H513 WeakPolarHBondContact CG1-NE2 3.4Å; H513-A530 HydrophobicContact CB-CB 3.94Å; H513-A530 PolarHBondContact ND1-O 3.24Å; H513-Y531 WeakPolarHBondContact CA-O 3.41Å
514	E	50.5	Low	55.5	Low	76 Å²	76	75.7 Å²	75.7	36%	0.355	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.2	170.9	-82.8	-171.1	167.6	0	0	110.9	R516 Y531 H533	E514-R516 HydrophobicContact CB-CG 4.23Å; E514-R516 PolarHBondContact O-N 2.79Å; E514-R516 IonicContact OE2-CZ 3.43Å; E514-R516 IonicContact OE2-NE 3.89Å; E514-R516 PolarHBondContact OE2-NE 3.24Å; E514-R516 IonicContact OE2-NH2 3.68Å; E514-R516 PolarHBondContact OE2-NH2 3.49Å; E514-Y531 PolarHBondContact N-O 2.84Å; E514-Y531 PolarHBondContact O-N 3.13Å; E514-H533 IonicContact OE1-CE1 3.08Å; E514-H533 IonicContact OE2-CE1 2.77Å
515	S	60	Low	57.4	Low	44 Å²	44	74.2 Å²	74.2	31%	0.308	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	110.7	167.8	173.6	0	0	0	0	109.3	E528	S515-E528 WeakPolarHBondContact CB-OE1 3.04Å; S515-E528 WeakPolarHBondContact OG-CG 3.07Å; S515-E528 PolarHBondContact OG-OE1 2.75Å
516	R	75.4	Confident	59.3	Low	48 Å²	48	68.7 Å²	68.7	18%	0.181	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	164.5	179.2	-62.3	-59.1	-168.7	118.4	-11.4	109.8	E514 E528 F529 Y531 N540 F541	E514-R516 HydrophobicContact CB-CG 4.23Å; E514-R516 PolarHBondContact O-N 2.79Å; E514-R516 IonicContact OE2-CZ 3.43Å; E514-R516 IonicContact OE2-NE 3.89Å; E514-R516 PolarHBondContact OE2-NE 3.24Å; E514-R516 IonicContact OE2-NH2 3.68Å; E514-R516 PolarHBondContact OE2-NH2 3.49Å; R516-E528 CarbonylContact O-C 3.58Å; R516-E528 VanDerWaalsContact O-CA 3.32Å; R516-E528 WeakPolarHBondContact O-CA 3.45Å; R516-F529 HydrophobicContact CB-CD1 3.9Å; R516-F529 HydrophobicContact CB-CE1 3.4Å; R516-F529 VanDerWaalsContact CB-CE1 3.4Å; R516-F529 HydrophobicContact CB-CZ 3.74Å; R516-F529 PolarHBondContact N-O 2.99Å; R516-F529 VanDerWaalsContact O-CD1 3.29Å; R516-F529 WeakPolarHBondContact O-CD1 3.07Å; R516-F529 PolarHBondContact O-N 3.04Å; R516-Y531 HydrophobicContact CG-CD1 4.25Å; R516-Y531 HydrophobicContact CG-CG 4.16Å; R516-N540 WeakPolarHBondContact CB-OD1 2.98Å; R516-N540 WeakPolarHBondContact CD-OD1 3.36Å; R516-N540 WeakPolarHBondContact CG-OD1 3.27Å; R516-N540 PolarHBondContact NH1-OD1 2.9Å; R516-F541 WeakPolarHBondContact CA-O 3.38Å
517	W	78.2	Confident	60.9	Low	34 Å²	34	65.9 Å²	65.9	13%	0.129	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.9	-174.7	-63.1	75	0	0	0	111.7	C526 Q527 E528 F541 R544 C547	W517-C526 HydrophobicContact CE3-CB 4.02Å; W517-C526 WeakPolarHBondContact CZ3-O 3.43Å; W517-Q527 VanDerWaalsContact CA-O 3.27Å; W517-Q527 WeakPolarHBondContact CA-O 3.03Å; W517-E528 HydrophobicContact CD2-CB 4.23Å; W517-E528 HydrophobicContact CE3-CB 4.26Å; W517-E528 HydrophobicContact CH2-CB 3.94Å; W517-E528 HydrophobicContact CZ2-CB 3.89Å; W517-E528 HydrophobicContact CZ2-CG 4.03Å; W517-E528 HydrophobicContact CZ3-CB 4.13Å; W517-F541 HydrophobicContact CB-CB 4.17Å; W517-F541 PolarHBondContact N-O 3.41Å; W517-F541 WeakPolarHBondContact O-CB 3.26Å; W517-F541 WeakPolarHBondContact O-CD2 3.33Å; W517-F541 PolarHBondContact O-N 3.32Å; W517-R544 HydrophobicContact CD2-CB 3.69Å; W517-R544 HydrophobicContact CD2-CG 4.33Å; W517-R544 HydrophobicContact CE3-CB 3.71Å; W517-R544 HydrophobicContact CE3-CG 3.82Å; W517-R544 HydrophobicContact CG-CB 4.39Å; W517-R544 HydrophobicContact CH2-CB 3.94Å; W517-R544 HydrophobicContact CH2-CG 4.11Å; W517-R544 HydrophobicContact CZ2-CB 3.92Å; W517-R544 HydrophobicContact CZ3-CB 3.83Å; W517-R544 HydrophobicContact CZ3-CG 3.69Å; W517-C547 HydrophobicContact CB-CB 3.99Å
518	Y	76.4	Confident	62.1	Low	37 Å²	37	64.2 Å²	64.2	15%	0.145	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159.4	171.5	76.7	-78	0	0	0	110.4	A455 D520 C526 Q527 F529	A455-Y518 HydrophobicContact CB-CD2 3.77Å; A455-Y518 HydrophobicContact CB-CE1 4.49Å; A455-Y518 HydrophobicContact CB-CE2 3.71Å; A455-Y518 HydrophobicContact CB-CG 4.23Å; Y518-D520 HydrophobicContact CE2-CB 4.1Å; Y518-D520 PolarHBondContact O-N 3.38Å; Y518-C526 CarbonylContact O-C 3.2Å; Y518-C526 VanDerWaalsContact O-CA 3.25Å; Y518-C526 WeakPolarHBondContact O-CA 3.06Å; Y518-Q527 HydrophobicContact CD1-CB 4.35Å; Y518-Q527 HydrophobicContact CE1-CB 3.75Å; Y518-Q527 PolarHBondContact N-O 2.87Å; Y518-Q527 PolarHBondContact O-N 2.82Å; Y518-Q527 PolarHBondContact OH-OE1 3.29Å; Y518-F529 HydrophobicContact CD1-CB 4.13Å; Y518-F529 AromaticContact CD1-CD1 3.69Å; Y518-F529 HydrophobicContact CD1-CD1 3.69Å; Y518-F529 HydrophobicContact CD1-CE1 4.4Å; Y518-F529 HydrophobicContact CD1-CG 4.13Å; Y518-F529 HydrophobicContact CE1-CB 4.12Å
519	L	77.5	Confident	63.3	Low	13 Å²	13	61.8 Å²	61.8	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	114.5	170.6	173.5	73.8	0	0	0	108.9	C452 C551 A553	C452-L519 HydrophobicContact CB-CB 4.3Å; C452-L519 HydrophobicContact CB-CD2 4.06Å; L519-C551 HydrophobicContact CB-CB 3.91Å; L519-C551 HydrophobicContact CD2-CB 4.12Å; L519-C551 HydrophobicContact CG-CB 4.43Å; L519-A553 HydrophobicContact CD1-CB 3.52Å
520	D	71.4	Confident	64.4	Low	20 Å²	20	55.6 Å²	55.6	11%	0.107	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.4	160.8	167.8	37.7	0	0	0	109.6	Y518 E522 T523 N524 Q525 Q527	Y518-D520 HydrophobicContact CE2-CB 4.1Å; Y518-D520 PolarHBondContact O-N 3.38Å; D520-E522 PolarHBondContact OD1-N 3.05Å; D520-T523 VanDerWaalsContact OD2-CB 3.23Å; D520-T523 WeakPolarHBondContact OD2-CB 3.33Å; D520-T523 VanDerWaalsContact OD2-CG2 3.3Å; D520-T523 WeakPolarHBondContact OD2-CG2 3.12Å; D520-T523 PolarHBondContact OD2-N 2.92Å; D520-T523 PolarHBondContact OD2-OG1 2.87Å; D520-N524 WeakPolarHBondContact O-CA 3.41Å; D520-N524 PolarHBondContact O-N 2.9Å; D520-Q525 PolarHBondContact N-O 2.97Å; D520-Q525 PolarHBondContact O-N 2.7Å; D520-Q527 HydrophobicContact CB-CB 4.46Å; D520-Q527 HydrophobicContact CB-CG 3.71Å; D520-Q527 VanDerWaalsContact CG-NE2 3.31Å; D520-Q527 PolarHBondContact OD2-NE2 3.18Å
521	V	62.6	Low	65.6	Low	78 Å²	78	54.3 Å²	54.3	47%	0.473	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-26.6	-176.9	-164.5	0	0	0	0	111.4	Q453	Q453-V521 HydrophobicContact CB-CG2 3.76Å; Q453-V521 HydrophobicContact CG-CG2 3.8Å
522	E	67.4	Low	66.3	Low	185 Å²	185	54.5 Å²	54.5	86%	0.864	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-51.6	-178.4	-62.9	-168.4	174.7	0	0	112	D520 N524	D520-E522 PolarHBondContact OD1-N 3.05Å; E522-N524 VanDerWaalsContact C-N 3.33Å
523	T	75.5	Confident	66.9	Low	67 Å²	67	52.1 Å²	52.1	41%	0.411	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-14.4	175.9	60.3	0	0	0	0	113.4	D520 Q525	D520-T523 VanDerWaalsContact OD2-CB 3.23Å; D520-T523 WeakPolarHBondContact OD2-CB 3.33Å; D520-T523 VanDerWaalsContact OD2-CG2 3.3Å; D520-T523 WeakPolarHBondContact OD2-CG2 3.12Å; D520-T523 PolarHBondContact OD2-N 2.92Å; D520-T523 PolarHBondContact OD2-OG1 2.87Å; T523-Q525 PolarHBondContact O-N 2.03Å; T523-Q525 PolarHBondContact OG1-N 2.76Å
524	N	74.8	Confident	66.9	Low	72 Å²	72	50.9 Å²	50.9	39%	0.385	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	39.9	-168.3	-168.2	21.7	0	0	0	112.1	D520 E522 T554	D520-N524 WeakPolarHBondContact O-CA 3.41Å; D520-N524 PolarHBondContact O-N 2.9Å; E522-N524 VanDerWaalsContact C-N 3.33Å; N524-T554 PolarHBondContact O-N 2.9Å; N524-T554 PolarHBondContact O-OG1 2.67Å
525	Q	75.6	Confident	66.6	Low	57 Å²	57	49.6 Å²	49.6	27%	0.266	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.4	177.9	-67	-178.3	24.9	0	0	109.9	D520 T523 Q527 T554	D520-Q525 PolarHBondContact N-O 2.97Å; D520-Q525 PolarHBondContact O-N 2.7Å; T523-Q525 PolarHBondContact O-N 2.03Å; T523-Q525 PolarHBondContact OG1-N 2.76Å; Q525-Q527 PolarHBondContact O-N 3.26Å; Q525-T554 WeakPolarHBondContact CG-OG1 3.4Å
526	C	78.5	Confident	65.6	Low	4 Å²	4	50.2 Å²	50.2	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.8	170.8	-69.2	0	0	0	0	110.2	W517 Y518 R544 C547 E548 A553	W517-C526 HydrophobicContact CE3-CB 4.02Å; W517-C526 WeakPolarHBondContact CZ3-O 3.43Å; Y518-C526 CarbonylContact O-C 3.2Å; Y518-C526 VanDerWaalsContact O-CA 3.25Å; Y518-C526 WeakPolarHBondContact O-CA 3.06Å; C526-R544 HydrophobicContact CB-CG 4.43Å; C526-C547 HydrophobicContact CB-CB 3.77Å; C526-C547 WeakPolarHBondContact CB-SG 3.25Å; C526-C547 WeakPolarHBondContact SG-CB 3.07Å; C526-C547 CovalentContact SG-SG 2.03Å; C526-C547 PolarHBondContact SG-SG 3.45Å; C526-E548 HydrophobicContact CB-CG 4.37Å; C526-E548 PolarHBondContact SG-N 3.03Å; C526-A553 HydrophobicContact CB-CB 4.48Å; C526-A553 WeakPolarHBondContact SG-CB 3.46Å
527	Q	72.6	Confident	64.1	Low	72 Å²	72	50.2 Å²	50.2	34%	0.336	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.6	175.8	-67.5	-168.6	13.6	0	0	111	W517 Y518 D520 Q525	W517-Q527 VanDerWaalsContact CA-O 3.27Å; W517-Q527 WeakPolarHBondContact CA-O 3.03Å; Y518-Q527 HydrophobicContact CD1-CB 4.35Å; Y518-Q527 HydrophobicContact CE1-CB 3.75Å; Y518-Q527 PolarHBondContact N-O 2.87Å; Y518-Q527 PolarHBondContact O-N 2.82Å; Y518-Q527 PolarHBondContact OH-OE1 3.29Å; D520-Q527 HydrophobicContact CB-CB 4.46Å; D520-Q527 HydrophobicContact CB-CG 3.71Å; D520-Q527 VanDerWaalsContact CG-NE2 3.31Å; D520-Q527 PolarHBondContact OD2-NE2 3.18Å; Q525-Q527 PolarHBondContact O-N 3.26Å
528	E	71.8	Confident	62.7	Low	28 Å²	28	52.8 Å²	52.8	13%	0.131	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.7	178.1	-170.2	-176.8	154.5	0	0	109.6	S515 R516 W517 Y604 G608 R613	S515-E528 WeakPolarHBondContact CB-OE1 3.04Å; S515-E528 WeakPolarHBondContact OG-CG 3.07Å; S515-E528 PolarHBondContact OG-OE1 2.75Å; R516-E528 CarbonylContact O-C 3.58Å; R516-E528 VanDerWaalsContact O-CA 3.32Å; R516-E528 WeakPolarHBondContact O-CA 3.45Å; W517-E528 HydrophobicContact CD2-CB 4.23Å; W517-E528 HydrophobicContact CE3-CB 4.26Å; W517-E528 HydrophobicContact CH2-CB 3.94Å; W517-E528 HydrophobicContact CZ2-CB 3.89Å; W517-E528 HydrophobicContact CZ2-CG 4.03Å; W517-E528 HydrophobicContact CZ3-CB 4.13Å; E528-Y604 PolarHBondContact OE1-OH 2.8Å; E528-G608 PolarHBondContact OE1-N 2.7Å; E528-R613 IonicContact OE2-CZ 2.71Å; E528-R613 IonicContact OE2-NH1 2.57Å; E528-R613 IonicContact OE2-NH2 3.59Å; E528-R613 PolarHBondContact OE2-NH2 2.89Å
529	F	66.5	Low	61.8	Low	17 Å²	17	51.2 Å²	51.2	8%	0.075	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.5	179.6	79.9	-75.8	0	0	0	112.4	P456 R516 Y518 Y531 N540	P456-F529 HydrophobicContact CB-CE2 4.44Å; P456-F529 HydrophobicContact CG-CE2 3.97Å; P456-F529 HydrophobicContact CG-CZ 3.73Å; R516-F529 HydrophobicContact CB-CD1 3.9Å; R516-F529 HydrophobicContact CB-CE1 3.4Å; R516-F529 VanDerWaalsContact CB-CE1 3.4Å; R516-F529 HydrophobicContact CB-CZ 3.74Å; R516-F529 PolarHBondContact N-O 2.99Å; R516-F529 VanDerWaalsContact O-CD1 3.29Å; R516-F529 WeakPolarHBondContact O-CD1 3.07Å; R516-F529 PolarHBondContact O-N 3.04Å; Y518-F529 HydrophobicContact CD1-CB 4.13Å; Y518-F529 AromaticContact CD1-CD1 3.69Å; Y518-F529 HydrophobicContact CD1-CD1 3.69Å; Y518-F529 HydrophobicContact CD1-CE1 4.4Å; Y518-F529 HydrophobicContact CD1-CG 4.13Å; Y518-F529 HydrophobicContact CE1-CB 4.12Å; F529-Y531 AromaticContact CE2-CD2 3.92Å; F529-Y531 HydrophobicContact CE2-CD2 3.92Å; F529-Y531 HydrophobicContact CE2-CG 4.27Å; F529-Y531 HydrophobicContact CZ-CD2 4.33Å; F529-Y531 PolarHBondContact O-N 3Å; F529-N540 HydrophobicContact CZ-CB 4.39Å
530	A	58.5	Low	61.2	Low	12 Å²	12	52 Å²	52	10%	0.099	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	76.9	-175.9	0	0	0	0	0	111.7	H513 S532	H513-A530 HydrophobicContact CB-CB 3.94Å; H513-A530 PolarHBondContact ND1-O 3.24Å; A530-S532 PolarHBondContact O-N 2.67Å; A530-S532 VanDerWaalsContact O-N 3.17Å
531	Y	60	Low	61.2	Low	33 Å²	33	51.9 Å²	51.9	13%	0.129	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	118.3	-176.4	-178.4	-122.7	0	0	0	111.8	H513 E514 R516 F529 H533 N540	H513-Y531 WeakPolarHBondContact CA-O 3.41Å; E514-Y531 PolarHBondContact N-O 2.84Å; E514-Y531 PolarHBondContact O-N 3.13Å; R516-Y531 HydrophobicContact CG-CD1 4.25Å; R516-Y531 HydrophobicContact CG-CG 4.16Å; F529-Y531 AromaticContact CE2-CD2 3.92Å; F529-Y531 HydrophobicContact CE2-CD2 3.92Å; F529-Y531 HydrophobicContact CE2-CG 4.27Å; F529-Y531 HydrophobicContact CZ-CD2 4.33Å; F529-Y531 PolarHBondContact O-N 3Å; Y531-H533 VanDerWaalsContact C-N 3.31Å; Y531-H533 HydrophobicContact CE1-CB 4.39Å; Y531-H533 AromaticContact CE1-ND1 3.9Å; Y531-H533 PolarHBondContact O-N 2.94Å; Y531-N540 VanDerWaalsContact CD1-ND2 3.32Å; Y531-N540 WeakPolarHBondContact CD1-ND2 3.31Å; Y531-N540 WeakPolarHBondContact CD2-ND2 3.13Å; Y531-N540 VanDerWaalsContact CE1-ND2 3.29Å; Y531-N540 WeakPolarHBondContact CE1-ND2 3.29Å; Y531-N540 WeakPolarHBondContact CE2-ND2 2.93Å; Y531-N540 VanDerWaalsContact CZ-ND2 3.33Å
532	S	48.8	Very low	61.2	Low	33 Å²	33	53.6 Å²	53.6	23%	0.231	31%	0.313	C	S	.	.			trans	-86	5	-173.4	59.8	0	0	0	0	114.7	A530 C534	A530-S532 PolarHBondContact O-N 2.67Å; A530-S532 VanDerWaalsContact O-N 3.17Å; S532-C534 PolarHBondContact O-N 2.95Å; S532-C534 VanDerWaalsContact O-N 3.16Å
533	H	53.6	Low	61.1	Low	97 Å²	97	47.6 Å²	47.6	45%	0.449	29%	0.289	S	S	.	.	S	Bend	trans	63.5	-1.4	-169.3	-55.8	-89.5	0	0	0	116.6	Q512 E514 Y531	Q512-H533 PolarHBondContact O-CD2 3.2Å; Q512-H533 VanDerWaalsContact O-CD2 3.23Å; E514-H533 IonicContact OE1-CE1 3.08Å; E514-H533 IonicContact OE2-CE1 2.77Å; Y531-H533 VanDerWaalsContact C-N 3.31Å; Y531-H533 HydrophobicContact CE1-CB 4.39Å; Y531-H533 AromaticContact CE1-ND1 3.9Å; Y531-H533 PolarHBondContact O-N 2.94Å
534	C	49	Very low	61	Low	42 Å²	42	47 Å²	47	28%	0.284	28%	0.279	S	S	.	.	S	Bend	trans	-98.9	135.5	164.4	-81.8	0	0	0	0	110.2	C507 S532	C507-C534 HydrophobicContact CB-CB 3.91Å; C507-C534 WeakPolarHBondContact CB-SG 3.3Å; C507-C534 WeakPolarHBondContact SG-CB 3.4Å; C507-C534 CovalentContact SG-SG 2.05Å; C507-C534 PolarHBondContact SG-SG 3.34Å; S532-C534 PolarHBondContact O-N 2.95Å; S532-C534 VanDerWaalsContact O-N 3.16Å
535	G	45.3	Very low	60.6	Low	48 Å²	48	45.6 Å²	45.6	50%	0.495	28%	0.278	S	S	.	.			trans	69.1	93	172.9	0	0	0	0	0	115	P456	P456-G535 VanDerWaalsContact CB-O 3.28Å; P456-G535 WeakPolarHBondContact CB-O 3.41Å
536	G	37.8	Very low	60.2	Low	57 Å²	57	46.3 Å²	46.3	59%	0.588	28%	0.284	S	S	*	.			trans	-127.4	103.1	-176.6	0	0	0	0	0	114.5
537	S	43.5	Very low	60.1	Low	48 Å²	48	46.1 Å²	46.1	34%	0.336	28%	0.282	S	S	.	.			trans	-79.5	166	163.6	43.2	0	0	0	0	112	V454 P456 N539 N540	V454-S537 PolarHBondContact O-OG 2.84Å; P456-S537 WeakPolarHBondContact CG-OG 3.44Å; S537-N539 WeakPolarHBondContact CB-OD1 3.32Å; S537-N539 PolarHBondContact O-N 3.35Å; S537-N539 PolarHBondContact OG-OD1 2.7Å; S537-N540 PolarHBondContact O-N 3.15Å
538	S	50.4	Low	60.3	Low	89 Å²	89	43.6 Å²	43.6	62%	0.622	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-6	-170.7	-54.4	0	0	0	0	116.5	N540	S538-N540 VanDerWaalsContact C-N 3.35Å
539	N	57.2	Low	60.1	Low	3 Å²	3	48.5 Å²	48.5	2%	0.016	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	20.3	-179.1	63.5	-52	0	0	0	113.7	L451 V454 A455 S537 F541	L451-N539 WeakPolarHBondContact O-CB 3.42Å; V454-N539 PolarHBondContact O-ND2 2.89Å; V454-N539 PolarHBondContact O-OD1 2.8Å; A455-N539 WeakPolarHBondContact CA-ND2 3.42Å; A455-N539 PolarHBondContact N-ND2 3.23Å; S537-N539 WeakPolarHBondContact CB-OD1 3.32Å; S537-N539 PolarHBondContact O-N 3.35Å; S537-N539 PolarHBondContact OG-OD1 2.7Å; N539-F541 HydrophobicContact CB-CE2 4.05Å; N539-F541 VanDerWaalsContact O-CD2 3.32Å; N539-F541 WeakPolarHBondContact O-CD2 3.4Å; N539-F541 PolarHBondContact O-N 2.98Å
540	N	64.7	Low	60.3	Low	31 Å²	31	53.1 Å²	53.1	17%	0.166	31%	0.314	C	S	.	.			trans	-86.7	84.4	174	-177.5	-25.8	0	0	0	110.1	R516 F529 Y531 S537 S538	R516-N540 WeakPolarHBondContact CB-OD1 2.98Å; R516-N540 WeakPolarHBondContact CD-OD1 3.36Å; R516-N540 WeakPolarHBondContact CG-OD1 3.27Å; R516-N540 PolarHBondContact NH1-OD1 2.9Å; F529-N540 HydrophobicContact CZ-CB 4.39Å; Y531-N540 VanDerWaalsContact CD1-ND2 3.32Å; Y531-N540 WeakPolarHBondContact CD1-ND2 3.31Å; Y531-N540 WeakPolarHBondContact CD2-ND2 3.13Å; Y531-N540 VanDerWaalsContact CE1-ND2 3.29Å; Y531-N540 WeakPolarHBondContact CE1-ND2 3.29Å; Y531-N540 WeakPolarHBondContact CE2-ND2 2.93Å; Y531-N540 VanDerWaalsContact CZ-ND2 3.33Å; S537-N540 PolarHBondContact O-N 3.15Å; S538-N540 VanDerWaalsContact C-N 3.35Å
541	F	72	Confident	60.9	Low	17 Å²	17	53.7 Å²	53.7	8%	0.075	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-85.7	138.8	-178.3	-59.4	-75	0	0	0	111.9	R516 W517 N539 D546 C547 F550 C551	R516-F541 WeakPolarHBondContact CA-O 3.38Å; W517-F541 HydrophobicContact CB-CB 4.17Å; W517-F541 PolarHBondContact N-O 3.41Å; W517-F541 WeakPolarHBondContact O-CB 3.26Å; W517-F541 WeakPolarHBondContact O-CD2 3.33Å; W517-F541 PolarHBondContact O-N 3.32Å; N539-F541 HydrophobicContact CB-CE2 4.05Å; N539-F541 VanDerWaalsContact O-CD2 3.32Å; N539-F541 WeakPolarHBondContact O-CD2 3.4Å; N539-F541 PolarHBondContact O-N 2.98Å; F541-D546 HydrophobicContact CB-CB 4.24Å; F541-D546 HydrophobicContact CD1-CB 4.22Å; F541-C547 HydrophobicContact CB-CB 3.82Å; F541-C547 HydrophobicContact CD2-CB 3.58Å; F541-C547 HydrophobicContact CE2-CB 4.37Å; F541-C547 HydrophobicContact CG-CB 3.75Å; F541-F550 HydrophobicContact CD1-CB 4.37Å; F541-F550 HydrophobicContact CE1-CB 3.58Å; F541-F550 AromaticContact CE1-CD1 3.68Å; F541-F550 HydrophobicContact CE1-CD1 3.68Å; F541-F550 HydrophobicContact CE1-CD2 4.14Å; F541-F550 HydrophobicContact CE1-CE1 4.36Å; F541-F550 AromaticContact CE1-CG 3.55Å; F541-F550 HydrophobicContact CE1-CG 3.55Å; F541-F550 HydrophobicContact CZ-CB 3.95Å; F541-F550 AromaticContact CZ-CD1 3.5Å; F541-F550 HydrophobicContact CZ-CD1 3.5Å; F541-F550 VanDerWaalsContact CZ-CD1 3.5Å; F541-F550 HydrophobicContact CZ-CE1 4.15Å; F541-F550 AromaticContact CZ-CG 3.85Å; F541-F550 HydrophobicContact CZ-CG 3.85Å; F541-C551 WeakPolarHBondContact CE2-SG 3.42Å; F541-C551 VanDerWaalsContact CZ-SG 3.51Å
542	L	61.9	Low	61.1	Low	114 Å²	114	54.8 Å²	54.8	60%	0.597	34%	0.339	S	S	*	.	S	Bend	trans	-73.2	-34.5	-179.3	-176.2	62.3	0	0	0	112.4
543	T	65.3	Low	61.9	Low	58 Å²	58	53.3 Å²	53.3	36%	0.356	33%	0.328	S	S	.	.	S	Bend	trans	-127.7	156	175.5	78	0	0	0	0	112.3	A545 D546 C547	T543-A545 PolarHBondContact O-N 3.35Å; T543-A545 PolarHBondContact OG1-N 3.2Å; T543-D546 WeakPolarHBondContact CB-OD2 3.47Å; T543-D546 WeakPolarHBondContact CG2-OD2 2.99Å; T543-D546 PolarHBondContact N-OD2 3.45Å; T543-D546 PolarHBondContact O-N 2.81Å; T543-D546 VanDerWaalsContact O-N 3.14Å; T543-D546 VanDerWaalsContact OG1-CG 3.23Å; T543-D546 PolarHBondContact OG1-N 3.23Å; T543-D546 PolarHBondContact OG1-OD2 2.03Å; T543-C547 PolarHBondContact O-N 2.83Å; T543-C547 VanDerWaalsContact O-N 3.15Å
544	R	74.1	Confident	62.6	Low	54 Å²	54	51.5 Å²	51.5	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-49.4	-41.3	167.4	-176	-179.2	173.8	98.1	38.5	112.2	W517 C526 C547 E548	W517-R544 HydrophobicContact CD2-CB 3.69Å; W517-R544 HydrophobicContact CD2-CG 4.33Å; W517-R544 HydrophobicContact CE3-CB 3.71Å; W517-R544 HydrophobicContact CE3-CG 3.82Å; W517-R544 HydrophobicContact CG-CB 4.39Å; W517-R544 HydrophobicContact CH2-CB 3.94Å; W517-R544 HydrophobicContact CH2-CG 4.11Å; W517-R544 HydrophobicContact CZ2-CB 3.92Å; W517-R544 HydrophobicContact CZ3-CB 3.83Å; W517-R544 HydrophobicContact CZ3-CG 3.69Å; C526-R544 HydrophobicContact CB-CG 4.43Å; R544-C547 PolarHBondContact O-N 3.34Å; R544-E548 HydrophobicContact CG-CG 4.42Å; R544-E548 IonicContact CZ-OE1 2.67Å; R544-E548 IonicContact NE-OE1 2.65Å; R544-E548 PolarHBondContact NE-OE1 2.79Å; R544-E548 IonicContact NH2-OE1 2.74Å; R544-E548 PolarHBondContact NH2-OE1 2.7Å; R544-E548 WeakPolarHBondContact O-CB 3.29Å; R544-E548 WeakPolarHBondContact O-CG 3.33Å; R544-E548 PolarHBondContact O-N 2.58Å
545	A	66	Low	63	Low	44 Å²	44	54.1 Å²	54.1	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-69.7	-36.3	-178.4	0	0	0	0	0	112.4	T543 E548 Q549	T543-A545 PolarHBondContact O-N 3.35Å; T543-A545 PolarHBondContact OG1-N 3.2Å; A545-E548 PolarHBondContact O-N 2.93Å; A545-Q549 WeakPolarHBondContact O-CB 3.45Å; A545-Q549 PolarHBondContact O-N 3.33Å
546	D	66.8	Low	63.7	Low	71 Å²	71	53.1 Å²	53.1	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-42.9	173.7	-61.1	-58.8	0	0	0	110.8	F541 T543 Q549 F550	F541-D546 HydrophobicContact CB-CB 4.24Å; F541-D546 HydrophobicContact CD1-CB 4.22Å; T543-D546 WeakPolarHBondContact CB-OD2 3.47Å; T543-D546 WeakPolarHBondContact CG2-OD2 2.99Å; T543-D546 PolarHBondContact N-OD2 3.45Å; T543-D546 PolarHBondContact O-N 2.81Å; T543-D546 VanDerWaalsContact O-N 3.14Å; T543-D546 VanDerWaalsContact OG1-CG 3.23Å; T543-D546 PolarHBondContact OG1-N 3.23Å; T543-D546 PolarHBondContact OG1-OD2 2.03Å; D546-Q549 PolarHBondContact O-N 3.4Å; D546-F550 WeakPolarHBondContact O-CB 3.37Å; D546-F550 PolarHBondContact O-N 3.19Å
547	C	77.1	Confident	64.9	Low	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-49.9	174.4	174.2	0	0	0	0	112	W517 C526 F541 T543 R544 Q549 F550 C551	W517-C547 HydrophobicContact CB-CB 3.99Å; C526-C547 HydrophobicContact CB-CB 3.77Å; C526-C547 WeakPolarHBondContact CB-SG 3.25Å; C526-C547 WeakPolarHBondContact SG-CB 3.07Å; C526-C547 CovalentContact SG-SG 2.03Å; C526-C547 PolarHBondContact SG-SG 3.45Å; F541-C547 HydrophobicContact CB-CB 3.82Å; F541-C547 HydrophobicContact CD2-CB 3.58Å; F541-C547 HydrophobicContact CE2-CB 4.37Å; F541-C547 HydrophobicContact CG-CB 3.75Å; T543-C547 PolarHBondContact O-N 2.83Å; T543-C547 VanDerWaalsContact O-N 3.15Å; R544-C547 PolarHBondContact O-N 3.34Å; C547-Q549 VanDerWaalsContact C-N 3.28Å; C547-Q549 PolarHBondContact O-N 3.38Å; C547-F550 PolarHBondContact O-N 3.27Å; C547-C551 VanDerWaalsContact O-CB 3.3Å; C547-C551 WeakPolarHBondContact O-CB 3.38Å; C547-C551 PolarHBondContact O-N 3.12Å
548	E	76.9	Confident	65.8	Low	19 Å²	19	57.2 Å²	57.2	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-39.2	178.1	-76.5	177.8	-178	0	0	111.3	C526 R544 A545 G552 A553 K555	C526-E548 HydrophobicContact CB-CG 4.37Å; C526-E548 PolarHBondContact SG-N 3.03Å; R544-E548 HydrophobicContact CG-CG 4.42Å; R544-E548 IonicContact CZ-OE1 2.67Å; R544-E548 IonicContact NE-OE1 2.65Å; R544-E548 PolarHBondContact NE-OE1 2.79Å; R544-E548 IonicContact NH2-OE1 2.74Å; R544-E548 PolarHBondContact NH2-OE1 2.7Å; R544-E548 WeakPolarHBondContact O-CB 3.29Å; R544-E548 WeakPolarHBondContact O-CG 3.33Å; R544-E548 PolarHBondContact O-N 2.58Å; A545-E548 PolarHBondContact O-N 2.93Å; E548-G552 VanDerWaalsContact O-CA 3.31Å; E548-G552 WeakPolarHBondContact O-CA 3.46Å; E548-G552 PolarHBondContact O-N 3.47Å; E548-A553 HydrophobicContact CG-CB 4.19Å; E548-K555 WeakPolarHBondContact OE2-CE 3.39Å
549	Q	65.9	Low	66.4	Low	131 Å²	131	55.1 Å²	55.1	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-77.2	-35	-179.5	-169.8	-176	-75.4	0	0	113.7	A545 D546 C547	A545-Q549 WeakPolarHBondContact O-CB 3.45Å; A545-Q549 PolarHBondContact O-N 3.33Å; D546-Q549 PolarHBondContact O-N 3.4Å; C547-Q549 VanDerWaalsContact C-N 3.28Å; C547-Q549 PolarHBondContact O-N 3.38Å
550	F	71.4	Confident	67	Low	114 Å²	114	57.1 Å²	57.1	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-84.2	-36.8	-178.3	-166.7	-81.9	0	0	0	112	F541 D546 C547	F541-F550 HydrophobicContact CD1-CB 4.37Å; F541-F550 HydrophobicContact CE1-CB 3.58Å; F541-F550 AromaticContact CE1-CD1 3.68Å; F541-F550 HydrophobicContact CE1-CD1 3.68Å; F541-F550 HydrophobicContact CE1-CD2 4.14Å; F541-F550 HydrophobicContact CE1-CE1 4.36Å; F541-F550 AromaticContact CE1-CG 3.55Å; F541-F550 HydrophobicContact CE1-CG 3.55Å; F541-F550 HydrophobicContact CZ-CB 3.95Å; F541-F550 AromaticContact CZ-CD1 3.5Å; F541-F550 HydrophobicContact CZ-CD1 3.5Å; F541-F550 VanDerWaalsContact CZ-CD1 3.5Å; F541-F550 HydrophobicContact CZ-CE1 4.15Å; F541-F550 AromaticContact CZ-CG 3.85Å; F541-F550 HydrophobicContact CZ-CG 3.85Å; D546-F550 WeakPolarHBondContact O-CB 3.37Å; D546-F550 PolarHBondContact O-N 3.19Å; C547-F550 PolarHBondContact O-N 3.27Å
551	C	71.7	Confident	67.5	Low	24 Å²	24	56.9 Å²	56.9	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-104.6	-9.6	-174.4	-61.7	0	0	0	0	114.9	C452 L519 F541 C547 A553	C452-C551 HydrophobicContact CB-CB 3.68Å; C452-C551 WeakPolarHBondContact CB-SG 3.45Å; C452-C551 WeakPolarHBondContact SG-CA 3.36Å; C452-C551 WeakPolarHBondContact SG-CB 3.27Å; C452-C551 CovalentContact SG-SG 2.03Å; C452-C551 PolarHBondContact SG-SG 3.05Å; L519-C551 HydrophobicContact CB-CB 3.91Å; L519-C551 HydrophobicContact CD2-CB 4.12Å; L519-C551 HydrophobicContact CG-CB 4.43Å; F541-C551 WeakPolarHBondContact CE2-SG 3.42Å; F541-C551 VanDerWaalsContact CZ-SG 3.51Å; C547-C551 VanDerWaalsContact O-CB 3.3Å; C547-C551 WeakPolarHBondContact O-CB 3.38Å; C547-C551 PolarHBondContact O-N 3.12Å; C551-A553 VanDerWaalsContact C-N 3.35Å
552	G	63	Low	68	Low	57 Å²	57	56.1 Å²	56.1	59%	0.588	32%	0.317	S	S	*	.			trans	73.3	24.8	177.9	0	0	0	0	0	114.4	E548	E548-G552 VanDerWaalsContact O-CA 3.31Å; E548-G552 WeakPolarHBondContact O-CA 3.46Å; E548-G552 PolarHBondContact O-N 3.47Å
553	A	67.3	Low	68.8	Low	1 Å²	1	56.6 Å²	56.6	1%	0.008	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-62.6	151.9	-177.7	0	0	0	0	0	112.6	L519 C526 E548 C551 M1385	L519-A553 HydrophobicContact CD1-CB 3.52Å; C526-A553 HydrophobicContact CB-CB 4.48Å; C526-A553 WeakPolarHBondContact SG-CB 3.46Å; E548-A553 HydrophobicContact CG-CB 4.19Å; C551-A553 VanDerWaalsContact C-N 3.35Å; A553-M1385 VanDerWaalsContact O-CE 3.32Å; A553-M1385 WeakPolarHBondContact O-CE 3.4Å
554	T	66.7	Low	69.5	Low	60 Å²	60	57.3 Å²	57.3	37%	0.368	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-74.6	147.3	175.1	62.9	0	0	0	0	111.7	N524 Q525	N524-T554 PolarHBondContact O-N 2.9Å; N524-T554 PolarHBondContact O-OG1 2.67Å; Q525-T554 WeakPolarHBondContact CG-OG1 3.4Å
555	K	58.2	Low	69.9	Low	97 Å²	97	63.5 Å²	63.5	42%	0.422	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-82.1	134.6	166	-83.2	-179.4	-178	159.8	0	109.7	E548 M1385	E548-K555 WeakPolarHBondContact OE2-CE 3.39Å; K555-M1385 HydrophobicContact CD-CE 4.48Å; K555-M1385 HydrophobicContact CD-SD 3.41Å; K555-M1385 WeakPolarHBondContact CD-SD 3Å; K555-M1385 WeakPolarHBondContact CE-SD 3.32Å; K555-M1385 HydrophobicContact CG-CE 4.15Å; K555-M1385 HydrophobicContact CG-SD 3.71Å; K555-M1385 PolarHBondContact NZ-SD 2.75Å; K555-M1385 VanDerWaalsContact NZ-SD 3.43Å
556	P	59.4	Low	70.8	Confident	26 Å²	26	62.8 Å²	62.8	17%	0.169	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.2	144.8	174	24.7	-33.3	0	0	0	111.3	I558 I561	P556-I558 PolarHBondContact O-N 2.93Å; P556-I561 HydrophobicContact CB-CD1 4.42Å; P556-I561 HydrophobicContact CB-CG1 4.21Å; P556-I561 HydrophobicContact CG-CD1 4.08Å; P556-I561 HydrophobicContact CG-CG1 4.32Å
557	D	64.3	Low	71.6	Confident	94 Å²	94	61.6 Å²	61.6	50%	0.503	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-63.4	131.7	169.5	169.1	31.6	0	0	0	110.7	S559 A560 I561	D557-S559 VanDerWaalsContact CG-N 3.34Å; D557-S559 PolarHBondContact O-N 3.02Å; D557-S559 PolarHBondContact OD1-N 3.47Å; D557-S559 WeakPolarHBondContact OD2-CB 3.41Å; D557-S559 PolarHBondContact OD2-N 3.41Å; D557-S559 PolarHBondContact OD2-OG 2.81Å; D557-A560 HydrophobicContact CB-CB 4.17Å; D557-A560 WeakPolarHBondContact O-CA 3.19Å; D557-A560 WeakPolarHBondContact O-CB 3.39Å; D557-A560 PolarHBondContact O-N 3.28Å; D557-A560 PolarHBondContact OD2-N 3.42Å; D557-I561 PolarHBondContact O-N 2.83Å
558	I	60.8	Low	71.6	Confident	97 Å²	97	67.4 Å²	67.4	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-57.1	-38.2	176	-56.2	174.2	0	0	0	110.2	P556 A560 I561 C562 T623	P556-I558 PolarHBondContact O-N 2.93Å; I558-A560 PolarHBondContact O-N 2.99Å; I558-I561 PolarHBondContact O-N 3.1Å; I558-C562 PolarHBondContact O-N 3.04Å; I558-C562 PolarHBondContact O-SG 3.3Å; I558-C562 VanDerWaalsContact O-SG 3.33Å; I558-T623 HydrophobicContact CG2-CG2 3.88Å; I558-T623 WeakPolarHBondContact CG2-O 3.49Å
559	S	63.8	Low	71.2	Confident	46 Å²	46	67.6 Å²	67.6	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-67.6	-21.5	177.4	108.2	0	0	0	0	113.2	D557 K563	D557-S559 VanDerWaalsContact CG-N 3.34Å; D557-S559 PolarHBondContact O-N 3.02Å; D557-S559 PolarHBondContact OD1-N 3.47Å; D557-S559 WeakPolarHBondContact OD2-CB 3.41Å; D557-S559 PolarHBondContact OD2-N 3.41Å; D557-S559 PolarHBondContact OD2-OG 2.81Å; S559-K563 WeakPolarHBondContact O-CD 3.39Å; S559-K563 WeakPolarHBondContact O-CE 3.4Å; S559-K563 VanDerWaalsContact O-CG 3.32Å; S559-K563 WeakPolarHBondContact O-CG 3.38Å; S559-K563 PolarHBondContact O-NZ 2.79Å; S559-K563 PolarHBondContact OG-NZ 3.19Å
560	A	70.3	Confident	71.1	Confident	45 Å²	45	68.2 Å²	68.2	37%	0.372	37%	0.368	S	S	.	.	H	α-helix	trans	-84.3	-39.5	173.9	0	0	0	0	0	111.4	D557 I558 C562 K563 L564	D557-A560 HydrophobicContact CB-CB 4.17Å; D557-A560 WeakPolarHBondContact O-CA 3.19Å; D557-A560 WeakPolarHBondContact O-CB 3.39Å; D557-A560 PolarHBondContact O-N 3.28Å; D557-A560 PolarHBondContact OD2-N 3.42Å; I558-A560 PolarHBondContact O-N 2.99Å; A560-C562 VanDerWaalsContact C-N 3.34Å; A560-C562 PolarHBondContact O-N 3.4Å; A560-K563 PolarHBondContact O-N 3.09Å; A560-L564 PolarHBondContact O-N 3.15Å
561	I	74.6	Confident	70.7	Confident	25 Å²	25	64.1 Å²	64.1	13%	0.128	35%	0.353	C	S	.	.	H	α-helix	trans	-52.5	-52.4	176	-65.3	174	0	0	0	110.6	P556 D557 I558 K563 L564 S611 N612 F614	P556-I561 HydrophobicContact CB-CD1 4.42Å; P556-I561 HydrophobicContact CB-CG1 4.21Å; P556-I561 HydrophobicContact CG-CD1 4.08Å; P556-I561 HydrophobicContact CG-CG1 4.32Å; D557-I561 PolarHBondContact O-N 2.83Å; I558-I561 PolarHBondContact O-N 3.1Å; I561-K563 PolarHBondContact O-N 3.39Å; I561-L564 PolarHBondContact O-N 3.09Å; I561-L564 VanDerWaalsContact O-N 3.12Å; I561-S611 VanDerWaalsContact CG2-O 3.24Å; I561-S611 WeakPolarHBondContact CG2-O 3.44Å; I561-N612 WeakPolarHBondContact O-CB 3.49Å; I561-F614 HydrophobicContact CG2-CZ 4.31Å
562	C	83.3	Confident	70.2	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.014	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-2.4	-178.2	-51.6	0	0	0	0	114.3	I558 A560 Y580 C624	I558-C562 PolarHBondContact O-N 3.04Å; I558-C562 PolarHBondContact O-SG 3.3Å; I558-C562 VanDerWaalsContact O-SG 3.33Å; A560-C562 VanDerWaalsContact C-N 3.34Å; A560-C562 PolarHBondContact O-N 3.4Å; C562-Y580 HydrophobicContact CB-CD1 3.95Å; C562-Y580 HydrophobicContact CB-CG 4.39Å; C562-Y580 WeakPolarHBondContact O-CD1 3.46Å; C562-C624 HydrophobicContact CB-CB 3.76Å; C562-C624 WeakPolarHBondContact CB-SG 3.38Å; C562-C624 WeakPolarHBondContact SG-CA 3.33Å; C562-C624 WeakPolarHBondContact SG-CB 3.03Å; C562-C624 CovalentContact SG-SG 2.03Å; C562-C624 PolarHBondContact SG-SG 2.83Å
563	K	78	Confident	69.9	Low	123 Å²	123	67.1 Å²	67.1	54%	0.535	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-10.7	175.7	-65.4	169	-170.7	139	0	113.2	S559 A560 I561	S559-K563 WeakPolarHBondContact O-CD 3.39Å; S559-K563 WeakPolarHBondContact O-CE 3.4Å; S559-K563 VanDerWaalsContact O-CG 3.32Å; S559-K563 WeakPolarHBondContact O-CG 3.38Å; S559-K563 PolarHBondContact O-NZ 2.79Å; S559-K563 PolarHBondContact OG-NZ 3.19Å; A560-K563 PolarHBondContact O-N 3.09Å; I561-K563 PolarHBondContact O-N 3.39Å
564	L	79.7	Confident	69.9	Low	73 Å²	73	74.9 Å²	74.9	38%	0.382	40%	0.398	S	S	.	.	S	Bend	trans	-69.6	136.9	175.8	-59.2	174.1	0	0	0	109.8	A560 I561 N610 N612	A560-L564 PolarHBondContact O-N 3.15Å; I561-L564 PolarHBondContact O-N 3.09Å; I561-L564 VanDerWaalsContact O-N 3.12Å; L564-N610 HydrophobicContact CD1-CB 4.21Å; L564-N612 HydrophobicContact CB-CB 4.12Å; L564-N612 PolarHBondContact O-ND2 2.73Å
565	K	82.2	Confident	70.1	Confident	185 Å²	185	78.3 Å²	78.3	80%	0.804	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-63	143.5	165.2	-68.3	-175.9	178.6	-178.2	0	109.2	S567 N610	K565-S567 PolarHBondContact O-N 3.04Å; K565-N610 PolarHBondContact O-ND2 2.84Å
566	P	85.5	Confident	71.2	Confident	28 Å²	28	77.5 Å²	77.5	18%	0.182	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-60.4	125.2	176.8	26.5	-34.5	0	0	0	109.5	Y579 F602	P566-Y579 HydrophobicContact CB-CD1 3.98Å; P566-Y579 HydrophobicContact CB-CD2 4Å; P566-Y579 HydrophobicContact CB-CE1 4.49Å; P566-Y579 HydrophobicContact CB-CG 3.69Å; P566-Y579 HydrophobicContact CG-CD1 3.88Å; P566-Y579 HydrophobicContact CG-CD2 3.63Å; P566-Y579 HydrophobicContact CG-CE1 3.91Å; P566-Y579 HydrophobicContact CG-CE2 3.68Å; P566-Y579 HydrophobicContact CG-CG 3.73Å; P566-F602 HydrophobicContact CB-CB 4.31Å; P566-F602 HydrophobicContact CB-CD1 4.01Å; P566-F602 HydrophobicContact CB-CD2 3.81Å; P566-F602 HydrophobicContact CB-CE1 4.2Å; P566-F602 HydrophobicContact CB-CE2 4.02Å; P566-F602 HydrophobicContact CB-CG 3.79Å; P566-F602 HydrophobicContact CB-CZ 4.19Å
567	S	83.3	Confident	72.6	Confident	46 Å²	46	77.9 Å²	77.9	32%	0.322	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-99.2	121.2	173.2	-177.9	0	0	0	0	110	K565 G569	K565-S567 PolarHBondContact O-N 3.04Å; S567-G569 PolarHBondContact O-N 3.25Å
568	F	78.3	Confident	73.8	Confident	122 Å²	122	75.6 Å²	75.6	54%	0.535	40%	0.395	S	S	.	.			trans	-58.7	-29.3	178.8	-66.1	-100.2	0	0	0	111.9	N603 Y604 S605	F568-N603 HydrophobicContact CD1-CB 4.43Å; F568-N603 WeakPolarHBondContact CD1-O 3.4Å; F568-N603 HydrophobicContact CE1-CB 4.46Å; F568-Y604 WeakPolarHBondContact O-CD2 3.29Å; F568-S605 WeakPolarHBondContact O-CB 3.44Å; F568-S605 PolarHBondContact O-N 2.69Å; F568-S605 PolarHBondContact O-OG 2.96Å
569	G	68.6	Low	75.3	Confident	23 Å²	23	72.7 Å²	72.7	24%	0.237	38%	0.378	C	S	.	.			trans	78	-177.3	-172.7	0	0	0	0	0	113.1	S567 S605 C607	S567-G569 PolarHBondContact O-N 3.25Å; G569-S605 WeakPolarHBondContact CA-OG 3.33Å; G569-S605 PolarHBondContact O-OG 3.28Å; G569-C607 VanDerWaalsContact CA-O 3.32Å; G569-C607 WeakPolarHBondContact CA-O 3.15Å
570	E	62.4	Low	76.5	Confident	145 Å²	145	71.1 Å²	71.1	68%	0.678	37%	0.366	S	S	*	.	S	Bend	trans	-104.6	-6.4	-160.4	-61.5	174.1	160	0	0	114.1	S605 C607	E570-S605 PolarHBondContact N-OG 2.82Å; E570-C607 PolarHBondContact N-O 2.71Å
571	C	63.4	Low	77.2	Confident	28 Å²	28	70.1 Å²	70.1	19%	0.189	35%	0.354	C	S	.	.			trans	-85.7	-175	-175.7	-88.3	0	0	0	0	113.6	S605 C607	C571-S605 WeakPolarHBondContact CB-O 3.41Å; C571-S605 PolarHBondContact N-OG 2.95Å; C571-S605 VanDerWaalsContact O-CB 3.23Å; C571-S605 WeakPolarHBondContact O-CB 3.33Å; C571-C607 HydrophobicContact CB-CB 4.04Å; C571-C607 WeakPolarHBondContact CB-SG 3.32Å; C571-C607 WeakPolarHBondContact SG-CB 3.28Å; C571-C607 CovalentContact SG-SG 2.03Å; C571-C607 PolarHBondContact SG-SG 2.8Å
572	T	61.9	Low	77.3	Confident	102 Å²	102	71 Å²	71	63%	0.626	36%	0.362	S	S	*	.	S	Bend	trans	-117.6	1.6	177.1	52.9	0	0	0	0	114	Y574	T572-Y574 PolarHBondContact O-N 3.23Å
573	G	55.4	Low	77	Confident	42 Å²	42	77.3 Å²	77.3	43%	0.433	40%	0.395	S	S	.	.			trans	-98	68.2	-173.1	0	0	0	0	0	113.9	K575 S605	G573-K575 PolarHBondContact O-N 2.02Å; G573-S605 CarbonylContact C-O 3.51Å; G573-S605 VanDerWaalsContact CA-O 3.26Å; G573-S605 WeakPolarHBondContact CA-O 3.47Å; G573-S605 PolarHBondContact N-O 2.99Å; G573-S605 CarbonylContact O-C 3.59Å; G573-S605 VanDerWaalsContact O-O 3.07Å
574	Y	68.7	Low	76.6	Confident	163 Å²	163	75 Å²	75	64%	0.639	38%	0.383	S	S	*	.			trans	-52.9	132.9	-173.7	-54	-71.9	0	0	0	114.6	T572 N603 Y604	T572-Y574 PolarHBondContact O-N 3.23Å; Y574-N603 HydrophobicContact CD1-CB 4.25Å; Y574-Y604 CarbonylContact C-O 3.48Å; Y574-Y604 WeakPolarHBondContact CA-O 3.29Å
575	K	71.2	Confident	75.7	Confident	133 Å²	133	74.5 Å²	74.5	58%	0.578	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.8	170.6	-66.9	174.4	-177.1	170.8	0	108.8	G573 M577 Y604	G573-K575 PolarHBondContact O-N 2.02Å; K575-M577 PolarHBondContact O-N 3.32Å; K575-Y604 PolarHBondContact N-O 2.58Å; K575-Y604 PolarHBondContact O-N 3.26Å
576	T	80.9	Confident	74.1	Confident	80 Å²	80	69.6 Å²	69.6	49%	0.491	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.3	173.5	-46.8	0	0	0	0	109.7	Q601	T576-Q601 HydrophobicContact CG2-CB 4.01Å; T576-Q601 HydrophobicContact CG2-CG 4.19Å
577	M	87.9	Confident	72.4	Confident	33 Å²	33	74.7 Å²	74.7	16%	0.163	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	166.1	178.1	-63.8	-66	-75.1	0	0	109.1	K575 Q601 F602 Y604 R613 F614 P615	K575-M577 PolarHBondContact O-N 3.32Å; M577-Q601 CarbonylContact O-C 3.51Å; M577-Q601 VanDerWaalsContact O-CA 3.31Å; M577-Q601 WeakPolarHBondContact O-CA 3.39Å; M577-F602 HydrophobicContact CB-CD1 4.17Å; M577-F602 HydrophobicContact CB-CE1 3.71Å; M577-F602 HydrophobicContact CB-CZ 4.16Å; M577-F602 PolarHBondContact N-O 2.75Å; M577-F602 WeakPolarHBondContact O-CD1 2.89Å; M577-F602 PolarHBondContact O-N 3.07Å; M577-Y604 HydrophobicContact CG-CD1 4.31Å; M577-Y604 HydrophobicContact CG-CG 4.3Å; M577-R613 HydrophobicContact CB-CG 4.12Å; M577-R613 HydrophobicContact CE-CG 3.69Å; M577-R613 HydrophobicContact CG-CG 4.14Å; M577-F614 WeakPolarHBondContact CE-O 3.48Å; M577-P615 HydrophobicContact CE-CB 4.31Å
578	W	90.4	Very high	70.6	Confident	46 Å²	46	78.3 Å²	78.3	17%	0.174	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148.4	177.7	-65.1	78.1	0	0	0	111.3	C599 K600 Q601 R613 F614 T616 Q617 C620	W578-C599 HydrophobicContact CE3-CB 4.11Å; W578-K600 CarbonylContact C-O 3.17Å; W578-K600 VanDerWaalsContact CA-O 3.26Å; W578-K600 WeakPolarHBondContact CA-O 3.05Å; W578-Q601 HydrophobicContact CD2-CG 3.78Å; W578-Q601 HydrophobicContact CE3-CG 3.9Å; W578-Q601 HydrophobicContact CH2-CG 3.84Å; W578-Q601 HydrophobicContact CZ2-CG 3.68Å; W578-Q601 HydrophobicContact CZ3-CG 3.93Å; W578-R613 WeakPolarHBondContact O-CA 3.38Å; W578-F614 HydrophobicContact CB-CB 4.22Å; W578-F614 PolarHBondContact N-O 2.87Å; W578-F614 PolarHBondContact O-N 3.47Å; W578-T616 VanDerWaalsContact CD1-C 3.4Å; W578-Q617 HydrophobicContact CD2-CB 3.84Å; W578-Q617 HydrophobicContact CE3-CB 3.88Å; W578-Q617 HydrophobicContact CE3-CG 4.04Å; W578-Q617 HydrophobicContact CH2-CB 3.73Å; W578-Q617 HydrophobicContact CH2-CG 3.95Å; W578-Q617 VanDerWaalsContact CH2-OE1 3.26Å; W578-Q617 HydrophobicContact CZ2-CB 3.71Å; W578-Q617 HydrophobicContact CZ2-CG 4.44Å; W578-Q617 HydrophobicContact CZ3-CB 3.82Å; W578-Q617 HydrophobicContact CZ3-CG 3.74Å; W578-C620 HydrophobicContact CB-CB 4.01Å
579	Y	91	Very high	68.8	Low	36 Å²	36	80.6 Å²	80.6	14%	0.141	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.1	172.9	80.3	-83.4	0	0	0	109.8	P566 D581 C599 K600 F602 N612	P566-Y579 HydrophobicContact CB-CD1 3.98Å; P566-Y579 HydrophobicContact CB-CD2 4Å; P566-Y579 HydrophobicContact CB-CE1 4.49Å; P566-Y579 HydrophobicContact CB-CG 3.69Å; P566-Y579 HydrophobicContact CG-CD1 3.88Å; P566-Y579 HydrophobicContact CG-CD2 3.63Å; P566-Y579 HydrophobicContact CG-CE1 3.91Å; P566-Y579 HydrophobicContact CG-CE2 3.68Å; P566-Y579 HydrophobicContact CG-CG 3.73Å; Y579-D581 HydrophobicContact CD2-CB 4.34Å; Y579-D581 HydrophobicContact CE2-CB 3.59Å; Y579-C599 CarbonylContact O-C 3.6Å; Y579-C599 WeakPolarHBondContact O-CA 3.32Å; Y579-K600 HydrophobicContact CD1-CB 4Å; Y579-K600 WeakPolarHBondContact CD1-O 3.1Å; Y579-K600 HydrophobicContact CE1-CB 3.42Å; Y579-K600 VanDerWaalsContact CE1-CB 3.42Å; Y579-K600 HydrophobicContact CE1-CD 4.4Å; Y579-K600 PolarHBondContact N-O 2.85Å; Y579-K600 PolarHBondContact O-N 3.35Å; Y579-K600 WeakPolarHBondContact OH-CD 3.15Å; Y579-F602 HydrophobicContact CD1-CB 3.88Å; Y579-F602 AromaticContact CD1-CD1 3.76Å; Y579-F602 HydrophobicContact CD1-CD1 3.76Å; Y579-F602 HydrophobicContact CD1-CG 4.14Å; Y579-F602 HydrophobicContact CE1-CB 4.15Å; Y579-F602 HydrophobicContact CG-CD1 4.22Å; Y579-N612 WeakPolarHBondContact CA-OD1 3.34Å; Y579-N612 VanDerWaalsContact CB-O 3.29Å; Y579-N612 WeakPolarHBondContact CB-O 3.33Å
580	Y	89.9	Confident	67.5	Low	14 Å²	14	83.3 Å²	83.3	6%	0.055	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.3	172.3	-172	-98	0	0	0	109.6	C562 P582 N612 C620 C624 F626	C562-Y580 HydrophobicContact CB-CD1 3.95Å; C562-Y580 HydrophobicContact CB-CG 4.39Å; C562-Y580 WeakPolarHBondContact O-CD1 3.46Å; Y580-P582 HydrophobicContact CD1-CB 4.35Å; Y580-P582 HydrophobicContact CE1-CB 3.95Å; Y580-P582 WeakPolarHBondContact O-CD 3.33Å; Y580-N612 PolarHBondContact N-OD1 3.38Å; Y580-N612 PolarHBondContact O-ND2 3.33Å; Y580-C620 PolarHBondContact N-SG 2.85Å; Y580-C624 HydrophobicContact CD1-CB 4.03Å; Y580-C624 HydrophobicContact CD2-CB 3.38Å; Y580-C624 HydrophobicContact CE2-CB 3.98Å; Y580-C624 WeakPolarHBondContact CE2-O 3.31Å; Y580-C624 HydrophobicContact CG-CB 3.4Å; Y580-C624 VanDerWaalsContact CG-CB 3.4Å; Y580-F626 HydrophobicContact CE1-CD2 4.19Å
581	D	85.8	Confident	66.3	Low	23 Å²	23	83.7 Å²	83.7	12%	0.123	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.1	172.1	-172.8	-12.6	0	0	0	108.7	Y579 N583 W584 G597 G598 K600	Y579-D581 HydrophobicContact CD2-CB 4.34Å; Y579-D581 HydrophobicContact CE2-CB 3.59Å; D581-N583 PolarHBondContact O-N 3.17Å; D581-N583 VanDerWaalsContact O-N 3.13Å; D581-N583 PolarHBondContact OD1-N 2.89Å; D581-W584 HydrophobicContact CB-CB 4.02Å; D581-W584 PolarHBondContact O-N 3.35Å; D581-G597 VanDerWaalsContact O-CA 3.26Å; D581-G597 WeakPolarHBondContact O-CA 3.26Å; D581-G598 PolarHBondContact N-O 2.8Å; D581-G598 PolarHBondContact O-N 3.08Å; D581-G598 VanDerWaalsContact O-N 3.07Å; D581-K600 HydrophobicContact CB-CD 3.98Å; D581-K600 WeakPolarHBondContact OD2-CE 3.11Å; D581-K600 IonicContact OD2-NZ 3.84Å; D581-K600 PolarHBondContact OD2-NZ 2.84Å
582	P	76.3	Confident	65.1	Low	45 Å²	45	89 Å²	89	29%	0.292	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	-10.1	-180	28	-35	0	0	0	113.5	Y580 I596	Y580-P582 HydrophobicContact CD1-CB 4.35Å; Y580-P582 HydrophobicContact CE1-CB 3.95Å; Y580-P582 WeakPolarHBondContact O-CD 3.33Å; P582-I596 WeakPolarHBondContact O-CG2 3.42Å
583	N	75.6	Confident	63.7	Low	133 Å²	133	91 Å²	91	71%	0.711	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	4.8	178.2	-51.3	-71	0	0	0	112.8	D581 V585	D581-N583 PolarHBondContact O-N 3.17Å; D581-N583 VanDerWaalsContact O-N 3.13Å; D581-N583 PolarHBondContact OD1-N 2.89Å; N583-V585 PolarHBondContact O-N 3.03Å
584	W	71.1	Confident	63	Low	75 Å²	75	96.4 Å²	96.4	28%	0.284	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.5	176.1	-174.9	33.7	0	0	0	110.7	D581 M586 G597 C599 K600	D581-W584 HydrophobicContact CB-CB 4.02Å; D581-W584 PolarHBondContact O-N 3.35Å; W584-M586 HydrophobicContact CD2-CG 4.01Å; W584-M586 HydrophobicContact CE3-CG 4.06Å; W584-M586 HydrophobicContact CE3-SD 4.31Å; W584-M586 HydrophobicContact CH2-CE 3.69Å; W584-M586 HydrophobicContact CH2-CG 3.73Å; W584-M586 HydrophobicContact CH2-SD 3.55Å; W584-M586 VanDerWaalsContact CH2-SD 3.55Å; W584-M586 HydrophobicContact CZ2-CE 4.08Å; W584-M586 HydrophobicContact CZ2-CG 3.64Å; W584-M586 HydrophobicContact CZ2-SD 4.09Å; W584-M586 HydrophobicContact CZ3-CE 4.38Å; W584-M586 HydrophobicContact CZ3-CG 3.93Å; W584-M586 HydrophobicContact CZ3-SD 3.67Å; W584-G597 WeakPolarHBondContact O-CA 3.5Å; W584-G597 PolarHBondContact O-N 3.15Å; W584-C599 WeakPolarHBondContact CZ3-O 3.04Å; W584-K600 HydrophobicContact CD2-CG 4.23Å; W584-K600 HydrophobicContact CE3-CG 4.35Å; W584-K600 HydrophobicContact CG-CD 4.4Å; W584-K600 HydrophobicContact CG-CG 4.49Å
585	V	59.1	Low	62	Low	62 Å²	62	92.8 Å²	92.8	38%	0.376	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.8	170.1	179.4	0	0	0	0	108.3	N583 Y594	N583-V585 PolarHBondContact O-N 3.03Å; V585-Y594 HydrophobicContact CG1-CD1 3.89Å
586	M	50.1	Low	61.3	Low	83 Å²	83	92.4 Å²	92.4	41%	0.409	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.7	163.6	-66	-175.7	84.8	0	0	108.4	W584 M588	W584-M586 HydrophobicContact CD2-CG 4.01Å; W584-M586 HydrophobicContact CE3-CG 4.06Å; W584-M586 HydrophobicContact CE3-SD 4.31Å; W584-M586 HydrophobicContact CH2-CE 3.69Å; W584-M586 HydrophobicContact CH2-CG 3.73Å; W584-M586 HydrophobicContact CH2-SD 3.55Å; W584-M586 VanDerWaalsContact CH2-SD 3.55Å; W584-M586 HydrophobicContact CZ2-CE 4.08Å; W584-M586 HydrophobicContact CZ2-CG 3.64Å; W584-M586 HydrophobicContact CZ2-SD 4.09Å; W584-M586 HydrophobicContact CZ3-CE 4.38Å; W584-M586 HydrophobicContact CZ3-CG 3.93Å; W584-M586 HydrophobicContact CZ3-SD 3.67Å; M586-M588 PolarHBondContact O-N 2.83Å
587	N	48.7	Very low	60.7	Low	135 Å²	135	89.5 Å²	89.5	72%	0.722	47%	0.467	S	S	*	.			trans	-71.9	107.7	164.5	-74.9	4.8	0	0	0	107.9
588	M	45.6	Very low	60.2	Low	122 Å²	122	88.4 Å²	88.4	60%	0.601	46%	0.464	S	S	*	.			trans	-76.9	138.5	157.8	-69.5	-76.2	-171.1	0	0	107.9	M586 G590 L595	M586-M588 PolarHBondContact O-N 2.83Å; M588-G590 PolarHBondContact O-N 2.68Å; M588-L595 HydrophobicContact CE-CD1 4.27Å
589	D	41.1	Very low	60.1	Low	169 Å²	169	86.3 Å²	86.3	90%	0.904	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	121.8	-176.5	-66.8	-64.5	0	0	0	112.6
590	G	41.3	Very low	59.9	Low	80 Å²	80	87.7 Å²	87.7	83%	0.825	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	3.6	156	0	0	0	0	0	119.2	M588	M588-G590 PolarHBondContact O-N 2.68Å
591	Q	36.3	Very low	59.8	Low	153 Å²	153	92.4 Å²	92.4	72%	0.715	49%	0.486	S	S	*	.	S	Bend	trans	-140.3	146.8	173.1	-65.6	-170.2	-10.2	0	0	112.6	H593	Q591-H593 PolarHBondContact O-N 2.87Å
592	D	38	Very low	60	Low	141 Å²	141	92 Å²	92	75%	0.754	48%	0.483	S	S	*	.	S	Bend	trans	-71.3	53.2	-172.9	-72.5	-61.3	0	0	0	114.9
593	H	33.7	Very low	60.3	Low	142 Å²	142	93.6 Å²	93.6	66%	0.657	49%	0.489	S	S	*	.			trans	-121.5	82.6	-178.3	-75.1	-64.5	0	0	0	112.2	Q591 L595	Q591-H593 PolarHBondContact O-N 2.87Å; H593-L595 PolarHBondContact O-N 2.98Å; H593-L595 VanDerWaalsContact O-N 3.12Å
594	Y	41.3	Very low	60.6	Low	156 Å²	156	88 Å²	88	61%	0.612	46%	0.458	S	S	*	.			trans	-66.7	103.8	172.9	-60.1	-89.4	0	0	0	111.2	V585 I596	V585-Y594 HydrophobicContact CG1-CD1 3.89Å; Y594-I596 PolarHBondContact O-N 3.13Å
595	L	47	Very low	60.5	Low	88 Å²	88	84.5 Å²	84.5	46%	0.461	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	107.3	163.2	-79.8	168.4	0	0	0	108.7	M588 H593	M588-L595 HydrophobicContact CE-CD1 4.27Å; H593-L595 PolarHBondContact O-N 2.98Å; H593-L595 VanDerWaalsContact O-N 3.12Å
596	I	56.6	Low	60.6	Low	125 Å²	125	82.9 Å²	82.9	64%	0.641	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.1	177.7	-59.4	175.7	0	0	0	108.8	P582 Y594	P582-I596 WeakPolarHBondContact O-CG2 3.42Å; Y594-I596 PolarHBondContact O-N 3.13Å
597	G	67.5	Low	61.1	Low	18 Å²	18	78.9 Å²	78.9	19%	0.186	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.6	137.6	171.8	0	0	0	0	0	114.1	D581 W584	D581-G597 VanDerWaalsContact O-CA 3.26Å; D581-G597 WeakPolarHBondContact O-CA 3.26Å; W584-G597 WeakPolarHBondContact O-CA 3.5Å; W584-G597 PolarHBondContact O-N 3.15Å
598	G	78.3	Confident	61.9	Low	10 Å²	10	72.5 Å²	72.5	10%	0.103	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-175.6	177.7	0	0	0	0	0	113.7	D581	D581-G598 PolarHBondContact N-O 2.8Å; D581-G598 PolarHBondContact O-N 3.08Å; D581-G598 VanDerWaalsContact O-N 3.07Å
599	C	87.2	Confident	63	Low	3 Å²	3	68.2 Å²	68.2	2%	0.02	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124	-168.2	-67.9	0	0	0	0	113.8	W578 Y579 W584 Q617 C620 E621	W578-C599 HydrophobicContact CE3-CB 4.11Å; Y579-C599 CarbonylContact O-C 3.6Å; Y579-C599 WeakPolarHBondContact O-CA 3.32Å; W584-C599 WeakPolarHBondContact CZ3-O 3.04Å; C599-Q617 HydrophobicContact CB-CG 4.44Å; C599-C620 HydrophobicContact CB-CB 3.79Å; C599-C620 WeakPolarHBondContact CB-SG 3.14Å; C599-C620 WeakPolarHBondContact SG-CB 3.2Å; C599-C620 CovalentContact SG-SG 2.03Å; C599-C620 PolarHBondContact SG-SG 3.18Å; C599-E621 HydrophobicContact CB-CG 4.21Å; C599-E621 PolarHBondContact SG-N 2.99Å
600	K	86.8	Confident	64.8	Low	64 Å²	64	62.2 Å²	62.2	28%	0.278	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	160.9	175.7	-75.5	177.2	178.6	168.3	0	111.2	W578 Y579 D581 W584	W578-K600 CarbonylContact C-O 3.17Å; W578-K600 VanDerWaalsContact CA-O 3.26Å; W578-K600 WeakPolarHBondContact CA-O 3.05Å; Y579-K600 HydrophobicContact CD1-CB 4Å; Y579-K600 WeakPolarHBondContact CD1-O 3.1Å; Y579-K600 HydrophobicContact CE1-CB 3.42Å; Y579-K600 VanDerWaalsContact CE1-CB 3.42Å; Y579-K600 HydrophobicContact CE1-CD 4.4Å; Y579-K600 PolarHBondContact N-O 2.85Å; Y579-K600 PolarHBondContact O-N 3.35Å; Y579-K600 WeakPolarHBondContact OH-CD 3.15Å; D581-K600 HydrophobicContact CB-CD 3.98Å; D581-K600 WeakPolarHBondContact OD2-CE 3.11Å; D581-K600 IonicContact OD2-NZ 3.84Å; D581-K600 PolarHBondContact OD2-NZ 2.84Å; W584-K600 HydrophobicContact CD2-CG 4.23Å; W584-K600 HydrophobicContact CE3-CG 4.35Å; W584-K600 HydrophobicContact CG-CD 4.4Å; W584-K600 HydrophobicContact CG-CG 4.49Å
601	Q	88.8	Confident	66.5	Low	113 Å²	113	60.4 Å²	60.4	53%	0.528	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	150	171.5	-65.6	179.3	15.3	0	0	111.6	T576 M577 W578	T576-Q601 HydrophobicContact CG2-CB 4.01Å; T576-Q601 HydrophobicContact CG2-CG 4.19Å; M577-Q601 CarbonylContact O-C 3.51Å; M577-Q601 VanDerWaalsContact O-CA 3.31Å; M577-Q601 WeakPolarHBondContact O-CA 3.39Å; W578-Q601 HydrophobicContact CD2-CG 3.78Å; W578-Q601 HydrophobicContact CE3-CG 3.9Å; W578-Q601 HydrophobicContact CH2-CG 3.84Å; W578-Q601 HydrophobicContact CZ2-CG 3.68Å; W578-Q601 HydrophobicContact CZ3-CG 3.93Å
602	F	89.8	Confident	68.8	Low	15 Å²	15	53.1 Å²	53.1	7%	0.066	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162.5	168.1	80.6	-74.6	0	0	0	111.3	P566 M577 Y579 R613	P566-F602 HydrophobicContact CB-CB 4.31Å; P566-F602 HydrophobicContact CB-CD1 4.01Å; P566-F602 HydrophobicContact CB-CD2 3.81Å; P566-F602 HydrophobicContact CB-CE1 4.2Å; P566-F602 HydrophobicContact CB-CE2 4.02Å; P566-F602 HydrophobicContact CB-CG 3.79Å; P566-F602 HydrophobicContact CB-CZ 4.19Å; M577-F602 HydrophobicContact CB-CD1 4.17Å; M577-F602 HydrophobicContact CB-CE1 3.71Å; M577-F602 HydrophobicContact CB-CZ 4.16Å; M577-F602 PolarHBondContact N-O 2.75Å; M577-F602 WeakPolarHBondContact O-CD1 2.89Å; M577-F602 PolarHBondContact O-N 3.07Å; Y579-F602 HydrophobicContact CD1-CB 3.88Å; Y579-F602 AromaticContact CD1-CD1 3.76Å; Y579-F602 HydrophobicContact CD1-CD1 3.76Å; Y579-F602 HydrophobicContact CD1-CG 4.14Å; Y579-F602 HydrophobicContact CE1-CB 4.15Å; Y579-F602 HydrophobicContact CG-CD1 4.22Å; F602-R613 HydrophobicContact CE1-CB 4.35Å; F602-R613 HydrophobicContact CE1-CG 4.27Å; F602-R613 HydrophobicContact CZ-CB 4Å; F602-R613 HydrophobicContact CZ-CG 3.85Å
603	N	82.8	Confident	71.2	Confident	79 Å²	79	49 Å²	49	42%	0.422	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.3	175.7	-70.8	-16.4	0	0	0	110.2	F568 Y574	F568-N603 HydrophobicContact CD1-CB 4.43Å; F568-N603 WeakPolarHBondContact CD1-O 3.4Å; F568-N603 HydrophobicContact CE1-CB 4.46Å; Y574-N603 HydrophobicContact CD1-CB 4.25Å
604	Y	80.9	Confident	73.8	Confident	14 Å²	14	43.1 Å²	43.1	6%	0.055	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126	169.8	175.4	-122.2	0	0	0	110.2	E528 F568 Y574 K575 M577 G606 C607 G608 R613	E528-Y604 PolarHBondContact OE1-OH 2.8Å; F568-Y604 WeakPolarHBondContact O-CD2 3.29Å; Y574-Y604 CarbonylContact C-O 3.48Å; Y574-Y604 WeakPolarHBondContact CA-O 3.29Å; K575-Y604 PolarHBondContact N-O 2.58Å; K575-Y604 PolarHBondContact O-N 3.26Å; M577-Y604 HydrophobicContact CG-CD1 4.31Å; M577-Y604 HydrophobicContact CG-CG 4.3Å; Y604-G606 PolarHBondContact O-N 2.91Å; Y604-C607 WeakPolarHBondContact OH-CA 3.27Å; Y604-C607 PolarHBondContact OH-N 3.06Å; Y604-G608 PolarHBondContact OH-N 3.42Å; Y604-G608 PolarHBondContact OH-O 2.84Å; Y604-R613 VanDerWaalsContact CE2-NH1 3.29Å; Y604-R613 VanDerWaalsContact CZ-CZ 3.47Å; Y604-R613 PolarHBondContact OH-NH1 3.46Å; Y604-R613 PolarHBondContact OH-NH2 3.43Å
605	S	70.1	Confident	75.4	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.021	23%	0.229	C	C	.	.			trans	-64.5	-15.3	-176.7	63.6	0	0	0	0	116	F568 G569 E570 C571 G573 C607	F568-S605 WeakPolarHBondContact O-CB 3.44Å; F568-S605 PolarHBondContact O-N 2.69Å; F568-S605 PolarHBondContact O-OG 2.96Å; G569-S605 WeakPolarHBondContact CA-OG 3.33Å; G569-S605 PolarHBondContact O-OG 3.28Å; E570-S605 PolarHBondContact N-OG 2.82Å; C571-S605 WeakPolarHBondContact CB-O 3.41Å; C571-S605 PolarHBondContact N-OG 2.95Å; C571-S605 VanDerWaalsContact O-CB 3.23Å; C571-S605 WeakPolarHBondContact O-CB 3.33Å; G573-S605 CarbonylContact C-O 3.51Å; G573-S605 VanDerWaalsContact CA-O 3.26Å; G573-S605 WeakPolarHBondContact CA-O 3.47Å; G573-S605 PolarHBondContact N-O 2.99Å; G573-S605 CarbonylContact O-C 3.59Å; G573-S605 VanDerWaalsContact O-O 3.07Å; S605-C607 PolarHBondContact OG-O 3.32Å
606	G	61.5	Low	77.1	Confident	27 Å²	27	39.2 Å²	39.2	28%	0.278	23%	0.227	S	C	.	.	S	Bend	trans	106.7	-16.8	179.6	0	0	0	0	0	115.7	Y604	Y604-G606 PolarHBondContact O-N 2.91Å
607	C	58.9	Low	78.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-145.4	154.9	172.2	70	0	0	0	0	112.9	G569 E570 C571 Y604 S605	G569-C607 VanDerWaalsContact CA-O 3.32Å; G569-C607 WeakPolarHBondContact CA-O 3.15Å; E570-C607 PolarHBondContact N-O 2.71Å; C571-C607 HydrophobicContact CB-CB 4.04Å; C571-C607 WeakPolarHBondContact CB-SG 3.32Å; C571-C607 WeakPolarHBondContact SG-CB 3.28Å; C571-C607 CovalentContact SG-SG 2.03Å; C571-C607 PolarHBondContact SG-SG 2.8Å; Y604-C607 WeakPolarHBondContact OH-CA 3.27Å; Y604-C607 PolarHBondContact OH-N 3.06Å; S605-C607 PolarHBondContact OG-O 3.32Å
608	G	65.3	Low	78.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.01	23%	0.232	C	C	.	.	S	Bend	trans	72.9	-133.4	178	0	0	0	0	0	111.6	E528 Y604 R613	E528-G608 PolarHBondContact OE1-N 2.7Å; Y604-G608 PolarHBondContact OH-N 3.42Å; Y604-G608 PolarHBondContact OH-O 2.84Å; G608-R613 PolarHBondContact O-NH1 2.78Å
609	G	70.2	Confident	78.6	Confident	31 Å²	31	40.5 Å²	40.5	32%	0.32	24%	0.239	S	C	.	.			trans	72.7	-153.5	179.6	0	0	0	0	0	112.8
610	N	77.9	Confident	78.5	Confident	44 Å²	44	40.4 Å²	40.4	24%	0.235	24%	0.238	C	C	.	.			trans	-140	-179.4	179.9	71.5	26.3	0	0	0	112.8	L564 K565 N612 R613	L564-N610 HydrophobicContact CD1-CB 4.21Å; K565-N610 PolarHBondContact O-ND2 2.84Å; N610-N612 VanDerWaalsContact C-N 3.35Å; N610-N612 PolarHBondContact O-N 2.78Å; N610-N612 PolarHBondContact OD1-N 3.45Å; N610-R613 WeakPolarHBondContact O-CB 3.43Å; N610-R613 PolarHBondContact O-NH1 2.85Å
611	S	77.9	Confident	78.2	Confident	42 Å²	42	40.4 Å²	40.4	29%	0.294	24%	0.239	S	C	.	.	S	Bend	trans	-76.5	-10.2	-168.1	-62.5	0	0	0	0	115.3	I561 R613	I561-S611 VanDerWaalsContact CG2-O 3.24Å; I561-S611 WeakPolarHBondContact CG2-O 3.44Å; S611-R613 PolarHBondContact O-N 2.87Å
612	N	85.3	Confident	77.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.			trans	-80.5	62.8	174.6	-164.5	0.2	0	0	0	110	I561 L564 Y579 Y580 N610 F614	I561-N612 WeakPolarHBondContact O-CB 3.49Å; L564-N612 HydrophobicContact CB-CB 4.12Å; L564-N612 PolarHBondContact O-ND2 2.73Å; Y579-N612 WeakPolarHBondContact CA-OD1 3.34Å; Y579-N612 VanDerWaalsContact CB-O 3.29Å; Y579-N612 WeakPolarHBondContact CB-O 3.33Å; Y580-N612 PolarHBondContact N-OD1 3.38Å; Y580-N612 PolarHBondContact O-ND2 3.33Å; N610-N612 VanDerWaalsContact C-N 3.35Å; N610-N612 PolarHBondContact O-N 2.78Å; N610-N612 PolarHBondContact OD1-N 3.45Å; N612-F614 VanDerWaalsContact OD1-CE2 3.32Å; N612-F614 WeakPolarHBondContact OD1-CE2 3.4Å
613	R	88	Confident	76.9	Confident	54 Å²	54	43.8 Å²	43.8	20%	0.204	26%	0.262	C	S	.	.			trans	-148.1	99.2	-167.3	-178.1	177.7	73.3	-142.6	17.5	110.6	E528 M577 W578 F602 Y604 G608 N610 S611	E528-R613 IonicContact OE2-CZ 2.71Å; E528-R613 IonicContact OE2-NH1 2.57Å; E528-R613 IonicContact OE2-NH2 3.59Å; E528-R613 PolarHBondContact OE2-NH2 2.89Å; M577-R613 HydrophobicContact CB-CG 4.12Å; M577-R613 HydrophobicContact CE-CG 3.69Å; M577-R613 HydrophobicContact CG-CG 4.14Å; W578-R613 WeakPolarHBondContact O-CA 3.38Å; F602-R613 HydrophobicContact CE1-CB 4.35Å; F602-R613 HydrophobicContact CE1-CG 4.27Å; F602-R613 HydrophobicContact CZ-CB 4Å; F602-R613 HydrophobicContact CZ-CG 3.85Å; Y604-R613 VanDerWaalsContact CE2-NH1 3.29Å; Y604-R613 VanDerWaalsContact CZ-CZ 3.47Å; Y604-R613 PolarHBondContact OH-NH1 3.46Å; Y604-R613 PolarHBondContact OH-NH2 3.43Å; G608-R613 PolarHBondContact O-NH1 2.78Å; N610-R613 WeakPolarHBondContact O-CB 3.43Å; N610-R613 PolarHBondContact O-NH1 2.85Å; S611-R613 PolarHBondContact O-N 2.87Å
614	F	87.3	Confident	76.8	Confident	18 Å²	18	40.2 Å²	40.2	8%	0.079	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-113.4	143.2	-174.2	-55.9	-75.8	0	0	0	111.6	I561 M577 W578 N612 T616 A619 C620 T623	I561-F614 HydrophobicContact CG2-CZ 4.31Å; M577-F614 WeakPolarHBondContact CE-O 3.48Å; W578-F614 HydrophobicContact CB-CB 4.22Å; W578-F614 PolarHBondContact N-O 2.87Å; W578-F614 PolarHBondContact O-N 3.47Å; N612-F614 VanDerWaalsContact OD1-CE2 3.32Å; N612-F614 WeakPolarHBondContact OD1-CE2 3.4Å; F614-T616 VanDerWaalsContact C-N 3.33Å; F614-T616 PolarHBondContact O-N 2.83Å; F614-A619 HydrophobicContact CB-CB 4.36Å; F614-C620 HydrophobicContact CB-CB 3.75Å; F614-C620 VanDerWaalsContact CD2-CA 3.5Å; F614-C620 HydrophobicContact CD2-CB 3.41Å; F614-C620 VanDerWaalsContact CD2-CB 3.41Å; F614-C620 HydrophobicContact CE2-CB 4.14Å; F614-C620 VanDerWaalsContact CG-CA 3.45Å; F614-C620 HydrophobicContact CG-CB 3.68Å; F614-T623 HydrophobicContact CE1-CG2 3.73Å; F614-T623 HydrophobicContact CZ-CG2 4.02Å
615	P	75.3	Confident	76	Confident	93 Å²	93	46 Å²	46	60%	0.604	27%	0.271	S	S	*	.	S	Bend	trans	-76.4	-17.5	-177	31	-36.2	0	0	0	113.9	M577 A619	M577-P615 HydrophobicContact CE-CB 4.31Å; P615-A619 HydrophobicContact CG-CB 4.29Å
616	T	82.4	Confident	75.1	Confident	70 Å²	70	52 Å²	52	43%	0.429	30%	0.298	S	S	.	.	S	Bend	trans	-146	159.1	179	63.4	0	0	0	0	110.7	W578 F614 A618 A619 C620	W578-T616 VanDerWaalsContact CD1-C 3.4Å; F614-T616 VanDerWaalsContact C-N 3.33Å; F614-T616 PolarHBondContact O-N 2.83Å; T616-A618 PolarHBondContact O-N 2.98Å; T616-A619 PolarHBondContact O-N 2.55Å; T616-A619 VanDerWaalsContact OG1-CB 3.3Å; T616-A619 WeakPolarHBondContact OG1-CB 3.29Å; T616-A619 PolarHBondContact OG1-N 2.84Å; T616-A619 VanDerWaalsContact OG1-N 3.12Å; T616-C620 PolarHBondContact O-N 3.25Å; T616-C620 VanDerWaalsContact O-N 3.08Å
617	Q	83.9	Confident	74	Confident	89 Å²	89	57.3 Å²	57.3	42%	0.416	32%	0.319	S	S	.	.	H	α-helix	trans	-53.7	-52.4	171.8	-175.5	176.7	-17.5	0	0	111.1	W578 C599 A619 C620 E621	W578-Q617 HydrophobicContact CD2-CB 3.84Å; W578-Q617 HydrophobicContact CE3-CB 3.88Å; W578-Q617 HydrophobicContact CE3-CG 4.04Å; W578-Q617 HydrophobicContact CH2-CB 3.73Å; W578-Q617 HydrophobicContact CH2-CG 3.95Å; W578-Q617 VanDerWaalsContact CH2-OE1 3.26Å; W578-Q617 HydrophobicContact CZ2-CB 3.71Å; W578-Q617 HydrophobicContact CZ2-CG 4.44Å; W578-Q617 HydrophobicContact CZ3-CB 3.82Å; W578-Q617 HydrophobicContact CZ3-CG 3.74Å; C599-Q617 HydrophobicContact CB-CG 4.44Å; Q617-A619 PolarHBondContact O-N 2.77Å; Q617-C620 WeakPolarHBondContact O-CA 3.24Å; Q617-C620 WeakPolarHBondContact O-CB 3.27Å; Q617-C620 PolarHBondContact O-N 3.39Å; Q617-E621 HydrophobicContact CG-CG 4.25Å; Q617-E621 VanDerWaalsContact CG-OE1 3.28Å; Q617-E621 WeakPolarHBondContact CG-OE1 3.21Å; Q617-E621 PolarHBondContact NE2-OE1 2.9Å; Q617-E621 WeakPolarHBondContact O-CG 3.4Å; Q617-E621 PolarHBondContact O-N 3.13Å
618	A	72.5	Confident	72.6	Confident	62 Å²	62	64 Å²	64	51%	0.512	36%	0.36	S	S	.	.	H	α-helix	trans	-59.1	-31.3	179.2	0	0	0	0	0	113.6	T616 L622	T616-A618 PolarHBondContact O-N 2.98Å; A618-L622 WeakPolarHBondContact O-CB 3.45Å; A618-L622 PolarHBondContact O-N 3.35Å
619	A	77.3	Confident	70.8	Confident	29 Å²	29	72.3 Å²	72.3	24%	0.24	40%	0.396	C	S	.	.	H	α-helix	trans	-73.9	-36	174.3	0	0	0	0	0	112.4	F614 P615 T616 Q617 T623	F614-A619 HydrophobicContact CB-CB 4.36Å; P615-A619 HydrophobicContact CG-CB 4.29Å; T616-A619 PolarHBondContact O-N 2.55Å; T616-A619 VanDerWaalsContact OG1-CB 3.3Å; T616-A619 WeakPolarHBondContact OG1-CB 3.29Å; T616-A619 PolarHBondContact OG1-N 2.84Å; T616-A619 VanDerWaalsContact OG1-N 3.12Å; Q617-A619 PolarHBondContact O-N 2.77Å; A619-T623 WeakPolarHBondContact O-CB 3.47Å; A619-T623 PolarHBondContact O-N 2.87Å; A619-T623 PolarHBondContact O-OG1 3.12Å
620	C	85.9	Confident	68.8	Low	0 Å²	0	77.6 Å²	77.6	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-64.5	-49.5	171.5	172.6	0	0	0	0	111	W578 Y580 C599 F614 T616 Q617 T623 C624	W578-C620 HydrophobicContact CB-CB 4.01Å; Y580-C620 PolarHBondContact N-SG 2.85Å; C599-C620 HydrophobicContact CB-CB 3.79Å; C599-C620 WeakPolarHBondContact CB-SG 3.14Å; C599-C620 WeakPolarHBondContact SG-CB 3.2Å; C599-C620 CovalentContact SG-SG 2.03Å; C599-C620 PolarHBondContact SG-SG 3.18Å; F614-C620 HydrophobicContact CB-CB 3.75Å; F614-C620 VanDerWaalsContact CD2-CA 3.5Å; F614-C620 HydrophobicContact CD2-CB 3.41Å; F614-C620 VanDerWaalsContact CD2-CB 3.41Å; F614-C620 HydrophobicContact CE2-CB 4.14Å; F614-C620 VanDerWaalsContact CG-CA 3.45Å; F614-C620 HydrophobicContact CG-CB 3.68Å; T616-C620 PolarHBondContact O-N 3.25Å; T616-C620 VanDerWaalsContact O-N 3.08Å; Q617-C620 WeakPolarHBondContact O-CA 3.24Å; Q617-C620 WeakPolarHBondContact O-CB 3.27Å; Q617-C620 PolarHBondContact O-N 3.39Å; C620-T623 PolarHBondContact O-N 2.83Å; C620-C624 WeakPolarHBondContact O-CB 3.08Å; C620-C624 PolarHBondContact O-N 3.07Å
621	E	81	Confident	66.2	Low	65 Å²	65	82.3 Å²	82.3	30%	0.304	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-54	-180	-68.3	170.2	167	0	0	110.6	C599 Q617 T623 C624 Q625	C599-E621 HydrophobicContact CB-CG 4.21Å; C599-E621 PolarHBondContact SG-N 2.99Å; Q617-E621 HydrophobicContact CG-CG 4.25Å; Q617-E621 VanDerWaalsContact CG-OE1 3.28Å; Q617-E621 WeakPolarHBondContact CG-OE1 3.21Å; Q617-E621 PolarHBondContact NE2-OE1 2.9Å; Q617-E621 WeakPolarHBondContact O-CG 3.4Å; Q617-E621 PolarHBondContact O-N 3.13Å; E621-T623 PolarHBondContact O-N 3.21Å; E621-T623 VanDerWaalsContact O-N 3.07Å; E621-C624 PolarHBondContact O-N 3.26Å; E621-C624 VanDerWaalsContact O-N 3.13Å; E621-Q625 HydrophobicContact CB-CG 4.45Å; E621-Q625 WeakPolarHBondContact O-CA 3.32Å; E621-Q625 WeakPolarHBondContact O-CB 3.35Å; E621-Q625 VanDerWaalsContact O-CD 3.3Å; E621-Q625 WeakPolarHBondContact O-CG 3.43Å; E621-Q625 PolarHBondContact O-N 3.28Å
622	L	74.6	Confident	63.8	Low	140 Å²	140	88.6 Å²	88.6	73%	0.733	47%	0.472	S	S	*	.	H	α-helix	trans	-64.1	-18.1	-177.9	-166.4	145.2	0	0	0	113.5	A618	A618-L622 WeakPolarHBondContact O-CB 3.45Å; A618-L622 PolarHBondContact O-N 3.35Å
623	T	75.9	Confident	60.9	Low	58 Å²	58	94.7 Å²	94.7	36%	0.356	50%	0.5	S	S	.	.	H	α-helix	trans	-92.5	-33.7	173.5	-49.6	0	0	0	0	113.3	I558 F614 A619 C620 E621	I558-T623 HydrophobicContact CG2-CG2 3.88Å; I558-T623 WeakPolarHBondContact CG2-O 3.49Å; F614-T623 HydrophobicContact CE1-CG2 3.73Å; F614-T623 HydrophobicContact CZ-CG2 4.02Å; A619-T623 WeakPolarHBondContact O-CB 3.47Å; A619-T623 PolarHBondContact O-N 2.87Å; A619-T623 PolarHBondContact O-OG1 3.12Å; C620-T623 PolarHBondContact O-N 2.83Å; E621-T623 PolarHBondContact O-N 3.21Å; E621-T623 VanDerWaalsContact O-N 3.07Å
624	C	80.8	Confident	58	Low	5 Å²	5	99.4 Å²	99.4	3%	0.034	53%	0.528	C	S	.	.	H	α-helix	trans	-116.3	9.3	-171.5	-65.1	0	0	0	0	115.1	C562 Y580 C620 E621 F626	C562-C624 HydrophobicContact CB-CB 3.76Å; C562-C624 WeakPolarHBondContact CB-SG 3.38Å; C562-C624 WeakPolarHBondContact SG-CA 3.33Å; C562-C624 WeakPolarHBondContact SG-CB 3.03Å; C562-C624 CovalentContact SG-SG 2.03Å; C562-C624 PolarHBondContact SG-SG 2.83Å; Y580-C624 HydrophobicContact CD1-CB 4.03Å; Y580-C624 HydrophobicContact CD2-CB 3.38Å; Y580-C624 HydrophobicContact CE2-CB 3.98Å; Y580-C624 WeakPolarHBondContact CE2-O 3.31Å; Y580-C624 HydrophobicContact CG-CB 3.4Å; Y580-C624 VanDerWaalsContact CG-CB 3.4Å; C620-C624 WeakPolarHBondContact O-CB 3.08Å; C620-C624 PolarHBondContact O-N 3.07Å; E621-C624 PolarHBondContact O-N 3.26Å; E621-C624 VanDerWaalsContact O-N 3.13Å; C624-F626 PolarHBondContact O-N 3.41Å
625	Q	64.1	Low	55	Low	134 Å²	134	103.5 Å²	103.5	63%	0.626	55%	0.551	S	S	*	*			trans	-56	96.6	175.2	-96.3	157.7	14.8	0	0	111.6	E621	E621-Q625 HydrophobicContact CB-CG 4.45Å; E621-Q625 WeakPolarHBondContact O-CA 3.32Å; E621-Q625 WeakPolarHBondContact O-CB 3.35Å; E621-Q625 VanDerWaalsContact O-CD 3.3Å; E621-Q625 WeakPolarHBondContact O-CG 3.43Å; E621-Q625 PolarHBondContact O-N 3.28Å
626	F	50.6	Low	52.8	Low	131 Å²	131	102.1 Å²	102.1	58%	0.575	54%	0.537	S	S	*	.			trans	-67.7	138.5	169.3	-97.1	-95.9	0	0	0	110.5	Y580 C624 T628	Y580-F626 HydrophobicContact CE1-CD2 4.19Å; C624-F626 PolarHBondContact O-N 3.41Å; F626-T628 PolarHBondContact O-N 3.11Å
627	N	38.6	Very low	50.1	Low	137 Å²	137	103.9 Å²	103.9	73%	0.733	55%	0.545	S	S	*	.			trans	-63.1	129.8	-169.3	-79	-78.5	0	0	0	113.2	K629	N627-K629 HydrophobicContact CB-CB 4.22Å; N627-K629 PolarHBondContact O-N 2.79Å
628	T	30.5	Very low	48.1	Very low	140 Å²	140	105.3 Å²	105.3	86%	0.859	56%	0.562	S	S	*	*			trans	-72.8	59.3	152.8	44.1	0	0	0	0	110.9	F626	F626-T628 PolarHBondContact O-N 3.11Å
629	K	28	Very low	45.9	Very low	176 Å²	176	108.4 Å²	108.4	77%	0.765	57%	0.574	S	S	*	*			trans	-127.1	105	166.6	-84.1	-169.2	171.5	-179	0	110.2	N627 E631	N627-K629 HydrophobicContact CB-CB 4.22Å; N627-K629 PolarHBondContact O-N 2.79Å; K629-E631 PolarHBondContact O-N 3.19Å
630	V	27.2	Very low	43.4	Very low	142 Å²	142	115.2 Å²	115.2	86%	0.861	60%	0.601	S	S	*	*			trans	-46.3	130.9	170.2	176.1	0	0	0	0	110.5	L632	V630-L632 PolarHBondContact O-N 2.9Å
631	E	23.9	Very low	40.5	Very low	144 Å²	144	118.4 Å²	118.4	67%	0.673	63%	0.633	S	S	*	*			trans	-65.2	131.5	168.5	-64.6	-169.6	143.9	0	0	110.5	K629 Q633	K629-E631 PolarHBondContact O-N 3.19Å; E631-Q633 HydrophobicContact CB-CG 4.1Å; E631-Q633 WeakPolarHBondContact OE2-CG 3.35Å; E631-Q633 PolarHBondContact OE2-NE2 3.33Å
632	L	26.8	Very low	37.9	Very low	173 Å²	173	122.1 Å²	122.1	91%	0.906	65%	0.654	S	S	*	*			trans	-111.2	91.2	151.7	-92.3	168.9	0	0	0	107.8	V630 I634	V630-L632 PolarHBondContact O-N 2.9Å; L632-I634 PolarHBondContact O-N 3.03Å
633	Q	24	Very low	35.5	Very low	129 Å²	129	121.3 Å²	121.3	60%	0.603	65%	0.651	S	S	*	*			trans	-64.6	122.6	-179.3	-60.4	175.9	-2.3	0	0	110.8	E631	E631-Q633 HydrophobicContact CB-CG 4.1Å; E631-Q633 WeakPolarHBondContact OE2-CG 3.35Å; E631-Q633 PolarHBondContact OE2-NE2 3.33Å
634	I	27.6	Very low	33.1	Very low	152 Å²	152	124.9 Å²	124.9	78%	0.779	67%	0.668	S	S	*	*			trans	-132	85.4	152.2	-55.7	-177.6	0	0	0	107.3	L632	L632-I634 PolarHBondContact O-N 3.03Å
635	N	24.5	Very low	30.4	Very low	105 Å²	105	130.2 Å²	130.2	56%	0.561	70%	0.7	S	S	*	*			trans	-54.2	154	172.4	-62.9	-20.2	0	0	0	110	K239	K239-N635 PolarHBondContact NZ-O 2.72Å
636	I	28.2	Very low	28.5	Very low	63 Å²	63	128.2 Å²	128.2	32%	0.323	70%	0.697	S	S	.	*				177.5	124.4	87.4	-89.2	144.4	0	0	0	111.8	K239 V240	K239-I636 HydrophobicContact CB-CB 4.43Å; K239-I636 HydrophobicContact CB-CD1 4.14Å; K239-I636 HydrophobicContact CB-CG2 3.77Å; K239-I636 HydrophobicContact CD-CB 4.3Å; K239-I636 HydrophobicContact CD-CD1 3.59Å; K239-I636 HydrophobicContact CG-CB 3.82Å; K239-I636 HydrophobicContact CG-CD1 3.84Å; K239-I636 HydrophobicContact CG-CG1 4.4Å; K239-I636 HydrophobicContact CG-CG2 3.6Å; V240-I636 HydrophobicContact CB-CD1 4.41Å; V240-I636 HydrophobicContact CB-CG2 4.38Å; V240-I636 HydrophobicContact CG1-CD1 3.91Å; V240-I636 HydrophobicContact CG1-CG1 3.91Å; V240-I636 HydrophobicContact CG1-CG2 4.48Å; V240-I636 HydrophobicContact CG2-CD1 3.97Å
637	D	26.9	Very low	27.3	Very low	108 Å²	108	125.6 Å²	125.6	58%	0.578	69%	0.692	S	S	*	*			trans	27.4	153.8	133.6	-50.6	-18.4	0	0	0	125.2
638	P	40.5	Very low	26.6	Very low	119 Å²	119	127 Å²	127	77%	0.773	69%	0.687	S	S	*	*			trans	-113.6	-164.3	-171.1	45.5	-33.3	0	0	0	113.4
639	V	26.5	Very low	26.4	Very low	126 Å²	126	124.1 Å²	124.1	76%	0.764	67%	0.672	S	S	*	*			trans	-166.5	158.4	144.2	128.5	0	0	0	0	113.2
640	E	24.8	Very low	26.5	Very low	173 Å²	173	124.6 Å²	124.6	81%	0.808	68%	0.677	S	S	*	*			trans	-23.2	166.8	171.3	-62.1	149.5	-164.2	0	0	121.1
641	G	26.1	Very low	27.1	Very low	66 Å²	66	122.3 Å²	122.3	68%	0.68	67%	0.666	S	S	*	*			cis	162.8	-174.8	-5.5	0	0	0	0	0	115.1
642	L	25.1	Very low	27.2	Very low	144 Å²	144	121.8 Å²	121.8	75%	0.754	67%	0.666	S	S	*	*			trans	63.5	124.1	160.1	-83.6	70.8	0	0	0	122.4
643	N	25.1	Very low	27.3	Very low	123 Å²	123	122.9 Å²	122.9	66%	0.658	66%	0.658	S	S	*	*				95.2	117.9	129.1	-68.5	1.7	0	0	0	124.2
644	N	25.5	Very low	27.7	Very low	132 Å²	132	122.9 Å²	122.9	71%	0.706	66%	0.662	S	S	*	*				96.1	111.2	123.7	-70.6	-3.6	0	0	0	124.2
645	V	24	Very low	27.8	Very low	117 Å²	117	120.7 Å²	120.7	71%	0.709	65%	0.647	S	S	*	*				80.2	92.3	118.5	177.8	0	0	0	0	120.6
646	T	25	Very low	28.3	Very low	93 Å²	93	120.8 Å²	120.8	57%	0.571	65%	0.647	S	S	*	*			trans	76.6	135	131	62.2	0	0	0	0	125.7	I287	I287-T646 HydrophobicContact CD1-CG2 4.3Å
647	T	25	Very low	28.5	Very low	75 Å²	75	122.7 Å²	122.7	46%	0.46	66%	0.658	S	S	.	*			trans	86	131.1	134.3	41.7	0	0	0	0	123.9	I287 K288	I287-T647 HydrophobicContact CB-CG2 4.29Å; I287-T647 HydrophobicContact CG2-CG2 3.45Å; I287-T647 VanDerWaalsContact CG2-CG2 3.45Å; K288-T647 HydrophobicContact CD-CG2 4.37Å
648	R	23.8	Very low	28.7	Very low	166 Å²	166	123.7 Å²	123.7	63%	0.626	66%	0.663	S	S	*	*			trans	88.9	95.9	137	-90	-175.5	159.1	166.6	-7.9	123.3	I287 K288 L289	I287-R648 PolarHBondContact O-N 2.75Å; K288-R648 WeakPolarHBondContact O-CG 3.48Å; L289-R648 PolarHBondContact O-NH2 2.81Å
649	S	25.5	Very low	28.1	Very low	80 Å²	80	125.7 Å²	125.7	56%	0.559	66%	0.663	S	S	*	*				63.2	105.4	113.7	68.7	0	0	0	0	123.3
650	E	30.9	Very low	28.2	Very low	187 Å²	187	125 Å²	125	87%	0.874	66%	0.663	S	S	*	*				72.2	171.1	111.6	-117.4	-165.9	-119.4	0	0	120.4
651	P	38.7	Very low	28.2	Very low	94 Å²	94	123 Å²	123	61%	0.61	66%	0.663	S	S	*	*				-123.6	-156.9	-111.3	43.7	-26.4	0	0	0	113.1
652	I	27.4	Very low	28.2	Very low	133 Å²	133	127.6 Å²	127.6	68%	0.682	67%	0.67	S	S	*	*			trans	167.7	118.4	133.5	-90.3	162.6	0	0	0	116.9
653	R	28.3	Very low	28.2	Very low	196 Å²	196	126.5 Å²	126.5	74%	0.74	67%	0.669	S	S	*	*			trans	63.8	162.5	132.9	-66.1	-169.9	-178.2	168	3.1	122.4
654	N	32.7	Very low	28.2	Very low	128 Å²	128	127.8 Å²	127.8	68%	0.684	68%	0.675	S	S	*	*			cis	-165.1	177.2	-4.6	-125.9	8.1	0	0	0	118.2
655	K	30.2	Very low	28.3	Very low	106 Å²	106	126.6 Å²	126.6	46%	0.461	67%	0.672	S	S	.	*			trans	82.4	158.7	152.5	-84.5	-165.9	160.2	-74.2	0	116.6	L272	L272-K655 HydrophobicContact CD2-CD 4.12Å
656	D	33.2	Very low	28.5	Very low	107 Å²	107	126.4 Å²	126.4	57%	0.572	66%	0.664	S	S	*	*			cis	-163.2	175.8	-4	-124.6	14.2	0	0	0	109.7
657	N	32.8	Very low	28.8	Very low	104 Å²	104	123 Å²	123	56%	0.556	64%	0.643	S	S	*	*			cis	-166.2	162.4	-17.8	-146.3	-29.5	0	0	0	110.9
658	N	31.2	Very low	29	Very low	128 Å²	128	122.4 Å²	122.4	68%	0.684	64%	0.637	S	S	*	*			trans	57.6	152.6	154.5	-74.5	-26.7	0	0	0	120.3
659	Q	29.3	Very low	29.3	Very low	162 Å²	162	119 Å²	119	76%	0.757	63%	0.628	S	S	*	*			cis	-157.9	152.5	4.1	-140.9	172.4	-14.6	0	0	115
660	S	27.5	Very low	29.4	Very low	110 Å²	110	115.3 Å²	115.3	77%	0.769	60%	0.601	S	S	*	*			trans	70.9	143.4	147	52.2	0	0	0	0	124.5
661	T	24.8	Very low	29.3	Very low	132 Å²	132	106.6 Å²	106.6	81%	0.81	56%	0.561	S	S	*	*			trans	-134.1	148.7	-177.9	43.1	0	0	0	0	112.8
662	I	25.2	Very low	28.8	Very low	162 Å²	162	106 Å²	106	83%	0.831	55%	0.549	S	S	*	.			trans	-152	127.9	159.5	-63.2	-170.2	0	0	0	106.4
663	V	25.9	Very low	29	Very low	121 Å²	121	100.1 Å²	100.1	73%	0.733	52%	0.52	S	S	*	.			cis	94	131.2	33	173.8	0	0	0	0	111.8
664	I	25.3	Very low	29	Very low	150 Å²	150	91.7 Å²	91.7	77%	0.769	49%	0.489	S	S	*	.			cis	-133.9	-87.9	20.7	-160.3	166.7	0	0	0	117.2
665	T	27.5	Very low	28.7	Very low	108 Å²	108	91 Å²	91	66%	0.663	49%	0.485	S	S	*	.			trans	-153.4	169	-158.4	45.7	0	0	0	0	112.6
666	E	29.2	Very low	28.6	Very low	113 Å²	113	86.6 Å²	86.6	53%	0.528	47%	0.467	S	S	.	.				-171.7	-171	53.4	-93.5	-164	70.8	0	0	111.4	K394	K394-E666 HydrophobicContact CD-CB 4.03Å; K394-E666 HydrophobicContact CD-CG 4.48Å; K394-E666 WeakPolarHBondContact CD-OE1 3.29Å; K394-E666 IonicContact NZ-OE1 3.38Å; K394-E666 PolarHBondContact NZ-OE1 3.41Å; K394-E666 IonicContact NZ-OE2 2.7Å; K394-E666 PolarHBondContact NZ-OE2 2.88Å
667	S	29.4	Very low	28.3	Very low	20 Å²	20	83.9 Å²	83.9	14%	0.14	45%	0.45	C	S	.	.			cis	-179.9	165.8	-38.5	76	0	0	0	0	112	K394 T395 I396	K394-S667 CarbonylContact C-O 3.42Å; K394-S667 WeakPolarHBondContact CA-O 3.19Å; K394-S667 WeakPolarHBondContact CB-O 2.95Å; K394-S667 WeakPolarHBondContact CD-OG 3.22Å; K394-S667 VanDerWaalsContact O-O 3.12Å; T395-S667 CarbonylContact C-O 3.54Å; T395-S667 WeakPolarHBondContact CA-O 3.34Å; T395-S667 PolarHBondContact N-O 3.39Å; T395-S667 CarbonylContact O-C 3.52Å; T395-S667 PolarHBondContact O-N 3.47Å; I396-S667 PolarHBondContact N-O 3.14Å
668	N	29.8	Very low	28.2	Very low	63 Å²	63	80.9 Å²	80.9	34%	0.337	43%	0.432	S	S	.	.			trans	72	32.1	145.6	-60	-1.8	0	0	0	126.1	S388 K394 I396	S388-N668 WeakPolarHBondContact CB-O 2.99Å; K394-N668 CarbonylContact O-C 3.58Å; I396-N668 VanDerWaalsContact CG1-N 3.27Å
669	K	30.3	Very low	27.9	Very low	96 Å²	96	78.3 Å²	78.3	42%	0.417	42%	0.417	S	S	.	.	S	Bend	trans	-122.6	79.4	151.3	-81.7	-79.7	162.4	-167.4	0	115.1	S388 K394 I396	S388-K669 PolarHBondContact O-NZ 2.78Å; S388-K669 PolarHBondContact OG-NZ 3.3Å; K394-K669 WeakPolarHBondContact O-CG 3.15Å; I396-K669 WeakPolarHBondContact CB-O 3.02Å; I396-K669 WeakPolarHBondContact CG2-O 3.33Å
670	T	27.5	Very low	27.7	Very low	2 Å²	2	73 Å²	73	1%	0.012	40%	0.396	C	S	.	.			trans	-42.5	129.5	-176.1	31.6	0	0	0	0	120.8	F385 R386 C387 S388 I396 C419	F385-T670 WeakPolarHBondContact CD2-O 3.15Å; F385-T670 PolarHBondContact O-OG1 2.99Å; R386-T670 PolarHBondContact N-OG1 2.83Å; C387-T670 HydrophobicContact CB-CG2 3.33Å; C387-T670 PolarHBondContact N-OG1 3.33Å; C387-T670 VanDerWaalsContact N-OG1 3.16Å; S388-T670 PolarHBondContact N-OG1 3.24Å; I396-T670 HydrophobicContact CD1-CG2 3.85Å; C419-T670 WeakPolarHBondContact SG-CG2 3.42Å
671	I	29.7	Very low	27.6	Very low	4 Å²	4	70.9 Å²	70.9	2%	0.021	37%	0.372	C	S	.	.				77.1	103.2	86.2	-120.9	-172	0	0	0	111.8	G383 H384 F385 Y417 C419	G383-I671 CarbonylContact C-O 3Å; G383-I671 VanDerWaalsContact C-O 3.31Å; G383-I671 CarbonylContact O-C 3.3Å; H384-I671 VanDerWaalsContact C-CG2 3.42Å; H384-I671 CarbonylContact C-O 3.59Å; H384-I671 WeakPolarHBondContact CA-O 3.19Å; H384-I671 PolarHBondContact N-O 3.04Å; H384-I671 WeakPolarHBondContact O-CG2 3.5Å; F385-I671 WeakPolarHBondContact CA-O 3.21Å; F385-I671 PolarHBondContact N-O 3.4Å; Y417-I671 VanDerWaalsContact C-CD1 3.48Å; Y417-I671 VanDerWaalsContact C-CG1 3.44Å; Y417-I671 VanDerWaalsContact CA-CG1 3.44Å; Y417-I671 VanDerWaalsContact CB-CG1 3.42Å; Y417-I671 HydrophobicContact CD2-CB 4.02Å; Y417-I671 HydrophobicContact CD2-CG1 3.47Å; Y417-I671 VanDerWaalsContact CD2-CG1 3.47Å; Y417-I671 HydrophobicContact CE2-CG1 4.43Å; Y417-I671 VanDerWaalsContact CG-CA 3.44Å; Y417-I671 HydrophobicContact CG-CB 3.95Å; Y417-I671 HydrophobicContact CG-CG1 3.65Å; Y417-I671 VanDerWaalsContact N-CG1 3.33Å; Y417-I671 WeakPolarHBondContact O-CD1 3.22Å; Y417-I671 VanDerWaalsContact O-CG1 3.27Å; Y417-I671 WeakPolarHBondContact O-CG1 3.49Å; C419-I671 WeakPolarHBondContact O-CD1 3.14Å
672	H	27.1	Very low	27.7	Very low	80 Å²	80	68 Å²	68	37%	0.37	35%	0.352	S	S	.	.	S	Bend	trans	-122	107.6	-175.3	-150.1	-87	0	0	0	120.5	A382 G383 F385 E846	A382-H672 CarbonylContact O-C 3.01Å; A382-H672 PolarHBondContact O-N 2.89Å; G383-H672 CarbonylContact O-C 3.35Å; G383-H672 WeakPolarHBondContact O-CA 3.19Å; G383-H672 PolarHBondContact O-N 3.25Å; F385-H672 AromaticContact CD2-CD2 3.76Å; F385-H672 AromaticContact CG-CD2 3.98Å; H672-E846 IonicContact CE1-OE2 3.9Å
673	N	31.4	Very low	27.6	Very low	11 Å²	11	64.6 Å²	64.6	6%	0.059	34%	0.339	C	S	.	.			trans	67.7	59.2	-164.7	-62.1	-29.4	0	0	0	124.2	Q381 A382 G383 H384 L675 V676 E846	Q381-N673 WeakPolarHBondContact CB-O 3.41Å; A382-N673 VanDerWaalsContact C-C 3.44Å; A382-N673 PolarHBondContact N-O 3.27Å; A382-N673 CarbonylContact O-C 3.32Å; G383-N673 CarbonylContact O-C 3.58Å; G383-N673 WeakPolarHBondContact O-CA 3.45Å; G383-N673 PolarHBondContact O-N 3.42Å; H384-N673 PolarHBondContact ND1-OD1 3.12Å; N673-L675 PolarHBondContact O-N 3.27Å; N673-V676 HydrophobicContact CB-CB 4.07Å; N673-V676 HydrophobicContact CB-CG2 3.48Å; N673-V676 VanDerWaalsContact CB-CG2 3.48Å; N673-V676 WeakPolarHBondContact OD1-CG2 3.49Å; N673-E846 PolarHBondContact ND2-OE2 2.75Å
674	N	28.2	Very low	27.5	Very low	18 Å²	18	64.6 Å²	64.6	10%	0.096	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-1.6	163.5	-116.6	-3.2	0	0	0	112.3	Q381 A382 G383	Q381-N674 WeakPolarHBondContact CA-OD1 3.33Å; Q381-N674 PolarHBondContact N-OD1 3.04Å; Q381-N674 PolarHBondContact NE2-O 2.67Å; Q381-N674 VanDerWaalsContact NE2-O 3.13Å; Q381-N674 PolarHBondContact O-OD1 3.19Å; Q381-N674 PolarHBondContact OE1-O 3.11Å; A382-N674 VanDerWaalsContact C-N 3.31Å; A382-N674 PolarHBondContact N-OD1 3.36Å; A382-N674 VanDerWaalsContact N-OD1 3.15Å; G383-N674 PolarHBondContact N-OD1 2.79Å; G383-N674 PolarHBondContact O-N 2.89Å
675	L	27.5	Very low	27.5	Very low	115 Å²	115	63.2 Å²	63.2	60%	0.602	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	15.7	-169.4	-83.5	157.8	0	0	0	113.1	H384 N673	H384-L675 HydrophobicContact CB-CB 4.33Å; H384-L675 HydrophobicContact CB-CD1 4.2Å; N673-L675 PolarHBondContact O-N 3.27Å
676	V	27.2	Very low	27.5	Very low	12 Å²	12	61.7 Å²	61.7	7%	0.073	31%	0.313	C	S	.	.	S	Bend	trans	-101	-48.8	-179.1	179.3	0	0	0	0	116.1	N673 M679 N845 K847	N673-V676 HydrophobicContact CB-CB 4.07Å; N673-V676 HydrophobicContact CB-CG2 3.48Å; N673-V676 VanDerWaalsContact CB-CG2 3.48Å; N673-V676 WeakPolarHBondContact OD1-CG2 3.49Å; V676-M679 WeakPolarHBondContact O-CB 3.27Å; V676-M679 PolarHBondContact O-N 3.06Å; V676-M679 VanDerWaalsContact O-N 3.09Å; V676-N845 HydrophobicContact CB-CB 4.28Å; V676-N845 HydrophobicContact CG1-CB 3.66Å; V676-N845 HydrophobicContact CG2-CB 3.63Å; V676-K847 HydrophobicContact CG1-CD 4.43Å
677	K	27.9	Very low	27.6	Very low	50 Å²	50	60.1 Å²	60.1	22%	0.217	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-83.9	-10.5	-177.5	-79.7	177	171.7	170.9	0	117.9	Q381 M679 T680 S942	Q381-K677 HydrophobicContact CG-CB 3.9Å; K677-M679 PolarHBondContact O-N 3.04Å; K677-T680 PolarHBondContact O-N 3.32Å; K677-T680 VanDerWaalsContact O-N 3.12Å; K677-T680 PolarHBondContact O-OG1 3.07Å; K677-S942 WeakPolarHBondContact CD-O 3.43Å; K677-S942 WeakPolarHBondContact CE-O 3.32Å; K677-S942 WeakPolarHBondContact CE-OG 3.33Å; K677-S942 PolarHBondContact NZ-O 3.01Å; K677-S942 PolarHBondContact NZ-OG 3.39Å
678	K	29.2	Very low	27.6	Very low	41 Å²	41	60.8 Å²	60.8	18%	0.178	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-75.9	15.6	155.6	-77.3	-178.3	172.1	-150.9	0	111.8	M342 A378 P379 Q381	M342-K678 VanDerWaalsContact CE-C 3.43Å; M342-K678 WeakPolarHBondContact CE-O 3.34Å; M342-K678 WeakPolarHBondContact CG-O 3.29Å; A378-K678 PolarHBondContact O-NZ 3.49Å; P379-K678 HydrophobicContact CB-CD 3.85Å; P379-K678 HydrophobicContact CG-CD 3.55Å; P379-K678 HydrophobicContact CG-CG 4.08Å; P379-K678 WeakPolarHBondContact O-CD 3.42Å; P379-K678 WeakPolarHBondContact O-CE 3.2Å; Q381-K678 HydrophobicContact CG-CG 4.49Å; Q381-K678 VanDerWaalsContact OE1-CD 3.27Å
679	M	25.1	Very low	28	Very low	75 Å²	75	63 Å²	63	37%	0.369	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-117.6	14	160.1	-70.9	177.9	159	0	0	112.6	M342 V676 K677	M342-M679 WeakPolarHBondContact SD-CA 3.32Å; V676-M679 WeakPolarHBondContact O-CB 3.27Å; V676-M679 PolarHBondContact O-N 3.06Å; V676-M679 VanDerWaalsContact O-N 3.09Å; K677-M679 PolarHBondContact O-N 3.04Å
680	T	26.2	Very low	28.7	Very low	51 Å²	51	59.3 Å²	59.3	31%	0.313	31%	0.305	S	S	.	.	S	Bend	trans	-139.4	65.4	170.5	62.6	0	0	0	0	112.7	M342 K677	M342-T680 PolarHBondContact SD-N 2.89Å; M342-T680 VanDerWaalsContact SD-N 3.38Å; K677-T680 PolarHBondContact O-N 3.32Å; K677-T680 VanDerWaalsContact O-N 3.12Å; K677-T680 PolarHBondContact O-OG1 3.07Å
681	K	25.5	Very low	29.8	Very low	65 Å²	65	59.8 Å²	59.8	28%	0.283	31%	0.308	S	S	.	.			trans	-143.5	22.2	159.6	-133.4	-177.4	-161.6	81.5	0	114.2	T340 M342 T683 S943	T340-K681 WeakPolarHBondContact CG2-O 3.44Å; T340-K681 CarbonylContact O-C 3.19Å; M342-K681 HydrophobicContact CE-CB 3.81Å; M342-K681 PolarHBondContact SD-N 2.86Å; K681-T683 PolarHBondContact O-N 3.41Å; K681-S943 PolarHBondContact NZ-O 2.68Å; K681-S943 VanDerWaalsContact NZ-O 3.14Å; K681-S943 PolarHBondContact NZ-OG 3.15Å
682	L	25.7	Very low	31.4	Very low	71 Å²	71	59.8 Å²	59.8	37%	0.372	31%	0.309	S	S	.	.			trans	-43.5	114.6	151.1	-105.1	161.9	0	0	0	107.2	T340 E341 M342 L684	T340-L682 WeakPolarHBondContact O-CA 3.45Å; T340-L682 PolarHBondContact O-N 3.47Å; E341-L682 HydrophobicContact CB-CD2 4.09Å; E341-L682 HydrophobicContact CG-CD2 4.45Å; E341-L682 WeakPolarHBondContact O-CD2 3.48Å; E341-L682 WeakPolarHBondContact O-CG 3.36Å; M342-L682 HydrophobicContact CB-CD1 4.42Å; M342-L682 HydrophobicContact CB-CG 4.47Å; L682-L684 HydrophobicContact CB-CG 4.27Å; L682-L684 PolarHBondContact O-N 3.09Å
683	T	24.5	Very low	32.9	Very low	91 Å²	91	63.9 Å²	63.9	56%	0.558	32%	0.321	S	S	*	.			trans	-67	73.1	149.2	38.6	0	0	0	0	106.9	K681 M685	K681-T683 PolarHBondContact O-N 3.41Å; T683-M685 PolarHBondContact O-N 3.18Å
684	L	23.8	Very low	34.2	Very low	120 Å²	120	67.5 Å²	67.5	63%	0.628	33%	0.334	S	S	*	.			trans	-53.6	95.3	150.5	-88.8	167.5	0	0	0	105.3	L682 N686	L682-L684 HydrophobicContact CB-CG 4.27Å; L682-L684 PolarHBondContact O-N 3.09Å; L684-N686 PolarHBondContact O-N 3.41Å
685	M	24	Very low	36	Very low	121 Å²	121	70.2 Å²	70.2	60%	0.596	35%	0.346	S	S	*	.			trans	-68.4	75.6	170.4	-68.3	179.5	173.6	0	0	107.3	T683 I687 R761	T683-M685 PolarHBondContact O-N 3.18Å; M685-I687 HydrophobicContact CB-CD1 4.16Å; M685-I687 HydrophobicContact CB-CG1 4.36Å; M685-I687 WeakPolarHBondContact O-CB 3.28Å; M685-I687 PolarHBondContact O-N 2.94Å; M685-R761 PolarHBondContact O-NH1 2.03Å
686	N	27.6	Very low	37.7	Very low	76 Å²	76	65 Å²	65	41%	0.406	32%	0.319	S	S	.	.			trans	-77.9	73.1	154.7	-61.5	31.2	0	0	0	105.3	L684	L684-N686 PolarHBondContact O-N 3.41Å
687	I	31.1	Very low	39.2	Very low	80 Å²	80	68.5 Å²	68.5	41%	0.41	34%	0.34	S	S	.	.				-0.5	97.7	70.8	-56	169.2	0	0	0	111.9	M685	M685-I687 HydrophobicContact CB-CD1 4.16Å; M685-I687 HydrophobicContact CB-CG1 4.36Å; M685-I687 WeakPolarHBondContact O-CB 3.28Å; M685-I687 PolarHBondContact O-N 2.94Å
688	D	30.7	Very low	40.5	Very low	35 Å²	35	72.5 Å²	72.5	19%	0.187	36%	0.358	C	S	.	.			trans	-53.4	152.6	-179.7	-62.4	-76.9	0	0	0	111.5	E690 P691 F934	D688-E690 PolarHBondContact O-N 3.06Å; D688-P691 HydrophobicContact CB-CG 4.4Å; D688-P691 WeakPolarHBondContact O-CD 3.43Å; D688-F934 HydrophobicContact CB-CE1 4.33Å; D688-F934 HydrophobicContact CB-CZ 3.94Å; D688-F934 WeakPolarHBondContact OD1-CE1 3.01Å
689	L	37.4	Very low	41.4	Very low	108 Å²	108	71.2 Å²	71.2	57%	0.565	36%	0.356	S	S	*	.	S	Bend	trans	-83.9	14.2	178.2	-80.8	164.2	0	0	0	112.5	R693	L689-R693 WeakPolarHBondContact O-CD 3.23Å; L689-R693 VanDerWaalsContact O-CG 3.27Å; L689-R693 WeakPolarHBondContact O-CG 3.01Å
690	E	45.9	Very low	42.6	Very low	19 Å²	19	76.3 Å²	76.3	9%	0.089	38%	0.376	C	S	.	.	S	Bend	trans	-111.4	-32.9	-171.7	-88.2	174.1	-134.4	0	0	117.7	D688 C692 R693 R694 T932 F934	D688-E690 PolarHBondContact O-N 3.06Å; E690-C692 VanDerWaalsContact C-N 3.26Å; E690-C692 PolarHBondContact O-N 3.28Å; E690-R693 WeakPolarHBondContact O-CA 3.42Å; E690-R693 PolarHBondContact O-N 3.43Å; E690-R694 WeakPolarHBondContact O-CG 3.49Å; E690-R694 PolarHBondContact O-N 2.84Å; E690-R694 IonicContact OE2-CZ 3.13Å; E690-R694 IonicContact OE2-NE 3.85Å; E690-R694 IonicContact OE2-NH2 2.79Å; E690-R694 PolarHBondContact OE2-NH2 3.38Å; E690-T932 VanDerWaalsContact CD-CA 3.46Å; E690-T932 HydrophobicContact CG-CG2 4.46Å; E690-T932 WeakPolarHBondContact OE1-CA 3.46Å; E690-T932 WeakPolarHBondContact OE1-CG2 3.38Å; E690-T932 WeakPolarHBondContact OE2-CA 3.32Å; E690-T932 WeakPolarHBondContact OE2-CB 3.41Å; E690-T932 WeakPolarHBondContact OE2-CG2 3.18Å; E690-F934 HydrophobicContact CB-CZ 4.5Å
691	P	50.7	Low	43.8	Very low	13 Å²	13	75.2 Å²	75.2	8%	0.084	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-39.1	-60.4	163.6	-35.7	37.2	0	0	0	111.5	D688 R693 R694 E745 N746	D688-P691 HydrophobicContact CB-CG 4.4Å; D688-P691 WeakPolarHBondContact O-CD 3.43Å; P691-R693 PolarHBondContact O-N 3.33Å; P691-R694 PolarHBondContact O-N 2.79Å; P691-E745 HydrophobicContact CB-CB 3.44Å; P691-E745 VanDerWaalsContact CB-CB 3.44Å; P691-E745 WeakPolarHBondContact CB-O 3.03Å; P691-E745 HydrophobicContact CG-CB 3.55Å; P691-E745 HydrophobicContact CG-CG 4.31Å; P691-N746 WeakPolarHBondContact O-CB 3.29Å; P691-N746 PolarHBondContact O-ND2 3.19Å
692	C	63.2	Low	45.1	Very low	4 Å²	4	80.7 Å²	80.7	3%	0.027	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-69.3	3.3	178.8	-49.1	0	0	0	0	115.9	E690 F726 C758 I762	E690-C692 VanDerWaalsContact C-N 3.26Å; E690-C692 PolarHBondContact O-N 3.28Å; C692-F726 HydrophobicContact CB-CB 4.3Å; C692-F726 HydrophobicContact CB-CD1 4.29Å; C692-F726 HydrophobicContact CB-CG 4.48Å; C692-F726 WeakPolarHBondContact O-CD1 3.21Å; C692-C758 VanDerWaalsContact CA-SG 3.59Å; C692-C758 HydrophobicContact CB-CB 3.57Å; C692-C758 WeakPolarHBondContact CB-SG 3.38Å; C692-C758 WeakPolarHBondContact SG-CA 3.43Å; C692-C758 WeakPolarHBondContact SG-CB 3.36Å; C692-C758 CovalentContact SG-SG 2.02Å; C692-C758 PolarHBondContact SG-SG 3.32Å; C692-I762 HydrophobicContact CB-CD1 3.41Å; C692-I762 VanDerWaalsContact CB-CD1 3.41Å; C692-I762 HydrophobicContact CB-CG1 4.3Å
693	R	59	Low	46.4	Very low	166 Å²	166	79.8 Å²	79.8	63%	0.626	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-115.1	-31.8	176.8	-74.1	-178.8	174.2	-168.9	-0.8	113	L689 E690 P691	L689-R693 WeakPolarHBondContact O-CD 3.23Å; L689-R693 VanDerWaalsContact O-CG 3.27Å; L689-R693 WeakPolarHBondContact O-CG 3.01Å; E690-R693 WeakPolarHBondContact O-CA 3.42Å; E690-R693 PolarHBondContact O-N 3.43Å; P691-R693 PolarHBondContact O-N 3.33Å
694	R	58.7	Low	47.2	Very low	86 Å²	86	80.4 Å²	80.4	33%	0.325	39%	0.387	S	S	.	.	S	Bend	trans	-69.9	129.8	173.2	-65.9	164.7	-175.3	-166.1	-5.2	107.2	E690 P691 E745 N746 T932	E690-R694 WeakPolarHBondContact O-CG 3.49Å; E690-R694 PolarHBondContact O-N 2.84Å; E690-R694 IonicContact OE2-CZ 3.13Å; E690-R694 IonicContact OE2-NE 3.85Å; E690-R694 IonicContact OE2-NH2 2.79Å; E690-R694 PolarHBondContact OE2-NH2 3.38Å; P691-R694 PolarHBondContact O-N 2.79Å; R694-E745 IonicContact CZ-OE2 3.34Å; R694-E745 IonicContact NE-OE2 3.72Å; R694-E745 IonicContact NH1-OE2 3.48Å; R694-E745 PolarHBondContact NH1-OE2 3.25Å; R694-N746 VanDerWaalsContact O-CB 3.25Å; R694-N746 WeakPolarHBondContact O-CB 3.3Å; R694-N746 PolarHBondContact O-ND2 3.19Å; R694-T932 PolarHBondContact NH2-O 3.04Å
695	H	64.4	Low	48.4	Very low	75 Å²	75	82.7 Å²	82.7	35%	0.347	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-61.6	153.2	169.5	-85.1	-67.1	0	0	0	109.7	V697 F725 H729 S744	H695-V697 PolarHBondContact O-N 3.22Å; H695-F725 AromaticContact ND1-CE2 3.55Å; H695-H729 AromaticContact NE2-ND1 3.78Å; H695-S744 PolarHBondContact O-OG 3.49Å
696	P	63.9	Low	50	Low	6 Å²	6	78.1 Å²	78.1	4%	0.039	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-55.4	132.5	166	26.2	-34.8	0	0	0	108.3	F698 F725 Y736 S744	P696-F698 PolarHBondContact O-N 3.09Å; P696-F725 HydrophobicContact CB-CB 4.32Å; P696-F725 HydrophobicContact CG-CB 3.8Å; P696-F725 HydrophobicContact CG-CD1 4.05Å; P696-F725 HydrophobicContact CG-CD2 3.86Å; P696-F725 HydrophobicContact CG-CE2 4.42Å; P696-F725 HydrophobicContact CG-CG 3.63Å; P696-Y736 HydrophobicContact CB-CD2 4.21Å; P696-Y736 HydrophobicContact CB-CE1 3.89Å; P696-Y736 HydrophobicContact CB-CE2 3.55Å; P696-Y736 WeakPolarHBondContact CB-OH 3.44Å; P696-Y736 HydrophobicContact CG-CD1 4.32Å; P696-Y736 HydrophobicContact CG-CD2 4.09Å; P696-Y736 HydrophobicContact CG-CE1 4.17Å; P696-Y736 HydrophobicContact CG-CE2 3.95Å; P696-Y736 HydrophobicContact CG-CG 4.27Å; P696-S744 WeakPolarHBondContact CA-OG 3.26Å
697	V	58.8	Low	51.4	Low	86 Å²	86	76.6 Å²	76.6	52%	0.521	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-77.9	125.4	176.8	167.4	0	0	0	0	107.5	H695 G699 G742	H695-V697 PolarHBondContact O-N 3.22Å; V697-G699 PolarHBondContact O-N 3.49Å; V697-G742 CarbonylContact C-O 3.54Å; V697-G742 VanDerWaalsContact CB-O 3.26Å; V697-G742 WeakPolarHBondContact CB-O 3.48Å
698	F	54.3	Low	52.9	Low	133 Å²	133	79.1 Å²	79.1	58%	0.583	39%	0.385	S	S	*	.			trans	-74.9	93.8	170.8	-68.4	-81.2	0	0	0	108.3	P696 F700 Y736	P696-F698 PolarHBondContact O-N 3.09Å; F698-F700 HydrophobicContact CB-CE2 4.39Å; F698-Y736 HydrophobicContact CE1-CD2 4.33Å
699	G	48.5	Very low	54.5	Low	14 Å²	14	83.9 Å²	83.9	14%	0.144	41%	0.406	C	S	.	.			trans	-65.1	147	163.7	0	0	0	0	0	110.1	V697 S739 C741	V697-G699 PolarHBondContact O-N 3.49Å; G699-S739 WeakPolarHBondContact O-CB 3.38Å; G699-S739 PolarHBondContact O-OG 3.02Å; G699-C741 VanDerWaalsContact CA-O 3.24Å; G699-C741 WeakPolarHBondContact CA-O 3.48Å; G699-C741 PolarHBondContact N-O 3.19Å
700	F	51	Low	55.9	Low	182 Å²	182	83 Å²	83	80%	0.798	40%	0.399	S	S	*	.			trans	-112.4	70.1	168	-72.4	-85.4	0	0	0	108.2	F698 R702	F698-F700 HydrophobicContact CB-CE2 4.39Å; F700-R702 PolarHBondContact O-N 3.01Å
701	C	52.1	Low	56.5	Low	28 Å²	28	87.6 Å²	87.6	19%	0.189	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-65.8	128.2	173.2	-109.9	0	0	0	0	109.9	C741	C701-C741 HydrophobicContact CB-CB 3.51Å; C701-C741 WeakPolarHBondContact CB-SG 3.5Å; C701-C741 WeakPolarHBondContact SG-CB 3.47Å; C701-C741 CovalentContact SG-SG 2.01Å; C701-C741 PolarHBondContact SG-SG 3.3Å
702	R	52.3	Low	57.3	Low	181 Å²	181	95.6 Å²	95.6	68%	0.683	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-84.1	124.9	163.6	-67.5	174.4	171.3	-173.9	-3.5	105.9	F700 L704	F700-R702 PolarHBondContact O-N 3.01Å; R702-L704 PolarHBondContact O-N 3.01Å; R702-L704 VanDerWaalsContact O-N 3.15Å
703	P	53.4	Low	57.6	Low	51 Å²	51	99.3 Å²	99.3	33%	0.331	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-53.6	123.8	165.7	-23.1	33.4	0	0	0	108.6	N705 C706	P703-N705 PolarHBondContact O-N 3.19Å; P703-C706 HydrophobicContact CB-CB 4.32Å; P703-C706 VanDerWaalsContact O-CB 3.23Å; P703-C706 WeakPolarHBondContact O-CB 3.37Å; P703-C706 PolarHBondContact O-N 3.26Å; P703-C706 VanDerWaalsContact O-N 3.09Å
704	L	39.9	Very low	57.5	Low	104 Å²	104	97.8 Å²	97.8	55%	0.545	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	138.5	168.9	-67.1	164.8	0	0	0	107.2	V510 R702	V510-L704 HydrophobicContact CG1-CD1 3.89Å; R702-L704 PolarHBondContact O-N 3.01Å; R702-L704 VanDerWaalsContact O-N 3.15Å
705	N	50.5	Low	57.6	Low	168 Å²	168	97.3 Å²	97.3	90%	0.898	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	6.5	-167.4	-51.4	-18.2	0	0	0	117.5	P703 S707	P703-N705 PolarHBondContact O-N 3.19Å; N705-S707 PolarHBondContact O-N 3.25Å
706	C	57.5	Low	57.4	Low	26 Å²	26	95.2 Å²	95.2	18%	0.176	46%	0.464	C	S	.	.			trans	-74.8	104.5	171	-175.4	0	0	0	0	112.7	P703 C716	P703-C706 HydrophobicContact CB-CB 4.32Å; P703-C706 VanDerWaalsContact O-CB 3.23Å; P703-C706 WeakPolarHBondContact O-CB 3.37Å; P703-C706 PolarHBondContact O-N 3.26Å; P703-C706 VanDerWaalsContact O-N 3.09Å; C706-C716 WeakPolarHBondContact CA-SG 3.35Å; C706-C716 HydrophobicContact CB-CB 4.3Å; C706-C716 WeakPolarHBondContact CB-SG 3.18Å; C706-C716 WeakPolarHBondContact SG-CB 3.5Å; C706-C716 CovalentContact SG-SG 2.03Å; C706-C716 PolarHBondContact SG-SG 3.39Å
707	S	56.5	Low	56.9	Low	43 Å²	43	101.9 Å²	101.9	30%	0.301	49%	0.494	S	S	.	.			trans	-76	169.6	175.6	86.3	0	0	0	0	113.3	N705 E709 H710 R711	N705-S707 PolarHBondContact O-N 3.25Å; S707-E709 VanDerWaalsContact C-N 3.33Å; S707-E709 PolarHBondContact O-N 2.68Å; S707-E709 PolarHBondContact OG-N 3.27Å; S707-H710 PolarHBondContact O-N 3.07Å; S707-H710 PolarHBondContact OG-N 2.94Å; S707-H710 PolarHBondContact OG-ND1 3.14Å; S707-R711 PolarHBondContact O-N 3.44Å
708	E	62	Low	56.7	Low	134 Å²	134	103.4 Å²	103.4	63%	0.626	49%	0.494	S	S	*	.	H	α-helix	trans	-64.4	-36	175.6	-66.9	-136.3	131.5	0	0	112.9	R711 R712	E708-R711 WeakPolarHBondContact O-CB 3.33Å; E708-R711 PolarHBondContact O-N 2.02Å; E708-R711 VanDerWaalsContact O-N 3.14Å; E708-R712 PolarHBondContact O-N 3.26Å
709	E	64.7	Low	56.7	Low	134 Å²	134	101.3 Å²	101.3	63%	0.626	49%	0.488	S	S	*	.	H	α-helix	trans	-62.3	-42.4	173.9	-65.5	174	110.9	0	0	111.5	S707 R711 R712 N713	S707-E709 VanDerWaalsContact C-N 3.33Å; S707-E709 PolarHBondContact O-N 2.68Å; S707-E709 PolarHBondContact OG-N 3.27Å; E709-R711 PolarHBondContact O-N 2.74Å; E709-R712 PolarHBondContact O-N 3.3Å; E709-N713 WeakPolarHBondContact O-CB 3.21Å; E709-N713 PolarHBondContact O-N 3.1Å
710	H	67.7	Low	57.2	Low	90 Å²	90	105.4 Å²	105.4	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-66.8	-17.5	177.4	-67.4	79.3	0	0	0	112.9	S707 T715 C716	S707-H710 PolarHBondContact O-N 3.07Å; S707-H710 PolarHBondContact OG-N 2.94Å; S707-H710 PolarHBondContact OG-ND1 3.14Å; H710-T715 WeakPolarHBondContact CA-OG1 3.11Å; H710-T715 PolarHBondContact CD2-OG1 3.29Å; H710-T715 VanDerWaalsContact CD2-OG1 3.32Å; H710-T715 PolarHBondContact O-N 3.18Å; H710-T715 PolarHBondContact O-OG1 3.04Å; H710-C716 HydrophobicContact CB-CB 4.33Å; H710-C716 WeakPolarHBondContact CB-SG 3.39Å; H710-C716 PolarHBondContact O-N 2.66Å
711	R	58.3	Low	57.8	Low	116 Å²	116	98.3 Å²	98.3	44%	0.438	48%	0.476	S	S	.	.	H	α-helix	trans	-81.2	-43.5	165	-68.7	-164.7	-171.6	123.5	17.2	113	S707 E708 E709 N713 Q714	S707-R711 PolarHBondContact O-N 3.44Å; E708-R711 WeakPolarHBondContact O-CB 3.33Å; E708-R711 PolarHBondContact O-N 2.02Å; E708-R711 VanDerWaalsContact O-N 3.14Å; E709-R711 PolarHBondContact O-N 2.74Å; R711-N713 VanDerWaalsContact C-N 3.3Å; R711-N713 PolarHBondContact O-N 2.83Å; R711-Q714 PolarHBondContact O-N 2.69Å
712	R	66.9	Low	58.8	Low	180 Å²	180	103.5 Å²	103.5	68%	0.679	50%	0.497	S	S	*	.	H	α-helix	trans	-60.5	-41.3	177.7	-72	-176.9	-179.9	174.4	2.5	111.6	E708 E709 Q714	E708-R712 PolarHBondContact O-N 3.26Å; E709-R712 PolarHBondContact O-N 3.3Å; R712-Q714 VanDerWaalsContact C-N 3.3Å; R712-Q714 PolarHBondContact O-N 3.14Å
713	N	69.2	Low	60.3	Low	83 Å²	83	97 Å²	97	44%	0.444	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.4	-175	-60.1	6.8	0	0	0	113	E709 R711 T715	E709-N713 WeakPolarHBondContact O-CB 3.21Å; E709-N713 PolarHBondContact O-N 3.1Å; R711-N713 VanDerWaalsContact C-N 3.3Å; R711-N713 PolarHBondContact O-N 2.83Å; N713-T715 HydrophobicContact CB-CG2 4.35Å; N713-T715 PolarHBondContact O-N 3.37Å
714	Q	57	Low	61.8	Low	134 Å²	134	97.8 Å²	97.8	63%	0.626	47%	0.469	S	S	*	.	S	Bend	trans	58.9	10.2	-178.8	-51	-175.9	17.5	0	0	115.9	Y175 R711 R712 H717	Y175-Q714 PolarHBondContact OH-NE2 3.14Å; R711-Q714 PolarHBondContact O-N 2.69Å; R712-Q714 VanDerWaalsContact C-N 3.3Å; R712-Q714 PolarHBondContact O-N 3.14Å; Q714-H717 PolarHBondContact O-CE1 2.92Å; Q714-H717 PolarHBondContact O-ND1 3.48Å
715	T	61.6	Low	64	Low	76 Å²	76	93.3 Å²	93.3	47%	0.466	45%	0.445	S	S	.	.			trans	-76.5	-20.1	-177.5	51.7	0	0	0	0	113.8	H710 N713 H717	H710-T715 WeakPolarHBondContact CA-OG1 3.11Å; H710-T715 PolarHBondContact CD2-OG1 3.29Å; H710-T715 VanDerWaalsContact CD2-OG1 3.32Å; H710-T715 PolarHBondContact O-N 3.18Å; H710-T715 PolarHBondContact O-OG1 3.04Å; N713-T715 HydrophobicContact CB-CG2 4.35Å; N713-T715 PolarHBondContact O-N 3.37Å; T715-H717 PolarHBondContact O-N 3.44Å
716	C	59.5	Low	65.4	Low	31 Å²	31	85.3 Å²	85.3	21%	0.209	40%	0.402	C	S	.	.			trans	-73.4	86.7	165.9	-80.8	0	0	0	0	111.4	C706 H710	C706-C716 WeakPolarHBondContact CA-SG 3.35Å; C706-C716 HydrophobicContact CB-CB 4.3Å; C706-C716 WeakPolarHBondContact CB-SG 3.18Å; C706-C716 WeakPolarHBondContact SG-CB 3.5Å; C706-C716 CovalentContact SG-SG 2.03Å; C706-C716 PolarHBondContact SG-SG 3.39Å; H710-C716 HydrophobicContact CB-CB 4.33Å; H710-C716 WeakPolarHBondContact CB-SG 3.39Å; H710-C716 PolarHBondContact O-N 2.66Å
717	H	54.3	Low	66.3	Low	146 Å²	146	84.1 Å²	84.1	68%	0.676	39%	0.394	S	S	*	.			trans	-74.6	134.8	168.5	-54.4	-37.1	0	0	0	110.8	Q714 T715	Q714-H717 PolarHBondContact O-CE1 2.92Å; Q714-H717 PolarHBondContact O-ND1 3.48Å; T715-H717 PolarHBondContact O-N 3.44Å
718	F	52.9	Low	66.4	Low	117 Å²	117	83.5 Å²	83.5	51%	0.513	39%	0.392	S	S	.	.			trans	-72.7	132.2	168.8	-61.6	-86.6	0	0	0	109.2	N720	F718-N720 PolarHBondContact O-N 3.09Å; F718-N720 PolarHBondContact O-ND2 2.76Å
719	L	54.6	Low	66.2	Low	90 Å²	90	80.3 Å²	80.3	47%	0.471	38%	0.377	S	S	.	.			trans	-65.8	105	171.3	-70.9	175.5	0	0	0	109	F721 Y738 S739	L719-F721 HydrophobicContact CB-CD2 4.42Å; L719-F721 HydrophobicContact CB-CE2 3.75Å; L719-F721 HydrophobicContact CB-CZ 4.13Å; L719-F721 HydrophobicContact CD1-CE2 4.42Å; L719-F721 HydrophobicContact CD1-CZ 4.23Å; L719-Y738 VanDerWaalsContact O-O 3.08Å; L719-S739 CarbonylContact O-C 3.47Å; L719-S739 VanDerWaalsContact O-CA 3.22Å; L719-S739 WeakPolarHBondContact O-CA 3.18Å
720	N	60	Low	66.4	Low	99 Å²	99	77.4 Å²	77.4	53%	0.529	37%	0.368	S	S	.	.			trans	-104	81.9	-175.8	-84.1	-47.3	0	0	0	109.8	F718 S737	F718-N720 PolarHBondContact O-N 3.09Å; F718-N720 PolarHBondContact O-ND2 2.76Å; N720-S737 VanDerWaalsContact CB-OG 3.28Å; N720-S737 WeakPolarHBondContact CB-OG 3.41Å; N720-S737 PolarHBondContact OD1-OG 3.26Å
721	F	63.4	Low	66	Low	34 Å²	34	74.3 Å²	74.3	15%	0.149	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.8	174.2	-57.1	-82.5	0	0	0	109.9	E506 L719 R723 Y738	E506-F721 HydrophobicContact CB-CE1 4.15Å; L719-F721 HydrophobicContact CB-CD2 4.42Å; L719-F721 HydrophobicContact CB-CE2 3.75Å; L719-F721 HydrophobicContact CB-CZ 4.13Å; L719-F721 HydrophobicContact CD1-CE2 4.42Å; L719-F721 HydrophobicContact CD1-CZ 4.23Å; F721-R723 VanDerWaalsContact C-N 3.3Å; F721-R723 HydrophobicContact CB-CG 4.23Å; F721-R723 PolarHBondContact O-N 2.81Å; F721-Y738 HydrophobicContact CB-CD1 4.3Å; F721-Y738 HydrophobicContact CD2-CD1 4.17Å; F721-Y738 PolarHBondContact N-O 3.17Å; F721-Y738 WeakPolarHBondContact O-CB 3.39Å; F721-Y738 PolarHBondContact O-N 2.91Å
722	Q	72.8	Confident	66.8	Low	137 Å²	137	71.2 Å²	71.2	64%	0.64	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	77.5	174.7	-171.1	-179.5	-18.2	0	0	110.5	A735	Q722-A735 HydrophobicContact CG-CB 4.05Å
723	R	83.5	Confident	67.6	Low	45 Å²	45	62.8 Å²	62.8	17%	0.17	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	163	171.8	-59.9	-69.2	172.8	178.7	-12.5	109.9	E504 F721 A735 Y736 Y738 T747 F748 D749	E504-R723 IonicContact OE1-CZ 2.65Å; E504-R723 IonicContact OE1-NH1 2.62Å; E504-R723 PolarHBondContact OE1-NH1 3.03Å; E504-R723 IonicContact OE1-NH2 3.47Å; E504-R723 PolarHBondContact OE1-NH2 2.93Å; F721-R723 VanDerWaalsContact C-N 3.3Å; F721-R723 HydrophobicContact CB-CG 4.23Å; F721-R723 PolarHBondContact O-N 2.81Å; R723-A735 WeakPolarHBondContact O-CA 3.31Å; R723-Y736 HydrophobicContact CB-CD1 4.4Å; R723-Y736 HydrophobicContact CB-CE1 3.77Å; R723-Y736 PolarHBondContact N-O 3.46Å; R723-Y736 WeakPolarHBondContact O-CD1 3.08Å; R723-Y736 PolarHBondContact O-N 2.99Å; R723-Y736 VanDerWaalsContact O-O 3.12Å; R723-Y738 HydrophobicContact CG-CD1 3.85Å; R723-Y738 HydrophobicContact CG-CG 4.02Å; R723-T747 HydrophobicContact CB-CG2 4.02Å; R723-T747 HydrophobicContact CG-CG2 4.06Å; R723-F748 CarbonylContact C-O 3.52Å; R723-F748 WeakPolarHBondContact CA-O 3.45Å; R723-F748 WeakPolarHBondContact CB-O 3.18Å; R723-D749 IonicContact CZ-OD1 3.93Å; R723-D749 IonicContact NH1-OD1 3.33Å; R723-D749 PolarHBondContact NH1-OD1 3.09Å
724	W	85.8	Confident	68.2	Low	66 Å²	66	60.1 Å²	60.1	25%	0.25	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146	177.6	-68.3	72.8	0	0	0	110.2	C733 E734 A735 F748 D750 A751 C754	W724-C733 HydrophobicContact CE3-CB 4.04Å; W724-E734 CarbonylContact C-O 3.51Å; W724-E734 WeakPolarHBondContact CA-O 3.17Å; W724-A735 HydrophobicContact CD2-CB 4.09Å; W724-A735 HydrophobicContact CE3-CB 4.29Å; W724-A735 HydrophobicContact CH2-CB 4.28Å; W724-A735 HydrophobicContact CZ2-CB 4.05Å; W724-A735 HydrophobicContact CZ3-CB 4.39Å; W724-F748 HydrophobicContact CB-CB 4.43Å; W724-F748 PolarHBondContact N-O 2.82Å; W724-F748 PolarHBondContact O-N 3.46Å; W724-D750 VanDerWaalsContact CD1-C 3.43Å; W724-D750 VanDerWaalsContact CD1-CA 3.43Å; W724-A751 HydrophobicContact CD2-CB 3.68Å; W724-A751 HydrophobicContact CE3-CB 3.65Å; W724-A751 HydrophobicContact CG-CB 4.44Å; W724-A751 HydrophobicContact CH2-CB 3.71Å; W724-A751 HydrophobicContact CZ2-CB 3.74Å; W724-A751 HydrophobicContact CZ3-CB 3.67Å; W724-C754 HydrophobicContact CB-CB 4.02Å
725	F	84.5	Confident	69.4	Low	10 Å²	10	55.8 Å²	55.8	4%	0.044	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.6	169.6	79.7	-73.8	0	0	0	111.1	H695 P696 N727 C733 E734 Y736 N746 C754	H695-F725 AromaticContact ND1-CE2 3.55Å; P696-F725 HydrophobicContact CB-CB 4.32Å; P696-F725 HydrophobicContact CG-CB 3.8Å; P696-F725 HydrophobicContact CG-CD1 4.05Å; P696-F725 HydrophobicContact CG-CD2 3.86Å; P696-F725 HydrophobicContact CG-CE2 4.42Å; P696-F725 HydrophobicContact CG-CG 3.63Å; F725-N727 HydrophobicContact CD2-CB 4.2Å; F725-N727 HydrophobicContact CE2-CB 3.46Å; F725-N727 VanDerWaalsContact CE2-CB 3.46Å; F725-N727 HydrophobicContact CZ-CB 3.74Å; F725-N727 PolarHBondContact O-N 3.15Å; F725-C733 WeakPolarHBondContact O-CA 3.43Å; F725-E734 HydrophobicContact CD1-CB 4.16Å; F725-E734 VanDerWaalsContact CD1-O 3.3Å; F725-E734 WeakPolarHBondContact CD1-O 3.42Å; F725-E734 HydrophobicContact CE1-CB 3.65Å; F725-E734 HydrophobicContact CZ-CB 4.16Å; F725-E734 WeakPolarHBondContact CZ-OE2 3.21Å; F725-E734 PolarHBondContact N-O 3.14Å; F725-E734 PolarHBondContact O-N 2.84Å; F725-Y736 HydrophobicContact CB-CD1 4.03Å; F725-Y736 HydrophobicContact CB-CE1 4.02Å; F725-Y736 AromaticContact CD1-CD1 3.63Å; F725-Y736 HydrophobicContact CD1-CD1 3.63Å; F725-Y736 HydrophobicContact CD1-CE1 4.44Å; F725-Y736 AromaticContact CD1-CG 3.97Å; F725-Y736 HydrophobicContact CD1-CG 3.97Å; F725-Y736 HydrophobicContact CG-CD1 4.23Å; F725-N746 WeakPolarHBondContact CA-O 3.48Å; F725-N746 VanDerWaalsContact CB-O 3.24Å; F725-N746 WeakPolarHBondContact CB-O 3.29Å; F725-C754 VanDerWaalsContact C-SG 3.54Å
726	F	80.9	Confident	70.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	106.1	169.3	-168.8	-93.7	0	0	0	109.8	C692 A728 S731 N746 C754 C758 K759 I762	C692-F726 HydrophobicContact CB-CB 4.3Å; C692-F726 HydrophobicContact CB-CD1 4.29Å; C692-F726 HydrophobicContact CB-CG 4.48Å; C692-F726 WeakPolarHBondContact O-CD1 3.21Å; F726-A728 PolarHBondContact O-N 2.88Å; F726-S731 VanDerWaalsContact CE2-C 3.5Å; F726-S731 WeakPolarHBondContact CE2-O 3.4Å; F726-S731 VanDerWaalsContact CZ-CA 3.43Å; F726-S731 WeakPolarHBondContact CZ-O 3.45Å; F726-N746 WeakPolarHBondContact CA-OD1 3.21Å; F726-N746 WeakPolarHBondContact CB-OD1 3.25Å; F726-N746 PolarHBondContact N-OD1 2.89Å; F726-N746 PolarHBondContact O-ND2 3.26Å; F726-C754 PolarHBondContact N-SG 3.24Å; F726-C758 HydrophobicContact CB-CB 3.29Å; F726-C758 HydrophobicContact CD1-CB 4.17Å; F726-C758 HydrophobicContact CD2-CB 3.46Å; F726-C758 VanDerWaalsContact CD2-CB 3.46Å; F726-C758 HydrophobicContact CE2-CB 4.33Å; F726-C758 HydrophobicContact CG-CB 3.34Å; F726-K759 HydrophobicContact CD2-CB 4.2Å; F726-K759 HydrophobicContact CE2-CB 3.78Å; F726-K759 HydrophobicContact CE2-CG 3.99Å; F726-I762 HydrophobicContact CD1-CB 4.4Å; F726-I762 HydrophobicContact CD1-CD1 4.07Å; F726-I762 HydrophobicContact CE1-CB 3.55Å; F726-I762 HydrophobicContact CE1-CD1 3.91Å; F726-I762 HydrophobicContact CE1-CG1 4.23Å; F726-I762 HydrophobicContact CE1-CG2 3.56Å; F726-I762 HydrophobicContact CE2-CB 4.48Å; F726-I762 HydrophobicContact CZ-CB 3.58Å; F726-I762 HydrophobicContact CZ-CG2 3.79Å
727	N	76.5	Confident	70.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	100.1	173.6	-174	-10.2	0	0	0	109.5	F725 H729 T730 S731 N732 E734	F725-N727 HydrophobicContact CD2-CB 4.2Å; F725-N727 HydrophobicContact CE2-CB 3.46Å; F725-N727 VanDerWaalsContact CE2-CB 3.46Å; F725-N727 HydrophobicContact CZ-CB 3.74Å; F725-N727 PolarHBondContact O-N 3.15Å; N727-H729 PolarHBondContact O-N 2.83Å; N727-H729 WeakPolarHBondContact OD1-CB 3.01Å; N727-H729 PolarHBondContact OD1-N 2.79Å; N727-T730 WeakPolarHBondContact CB-OG1 3.48Å; N727-T730 PolarHBondContact O-N 2.86Å; N727-T730 VanDerWaalsContact O-N 3.13Å; N727-T730 PolarHBondContact O-OG1 2.73Å; N727-S731 WeakPolarHBondContact O-CA 3.14Å; N727-S731 PolarHBondContact O-N 2.81Å; N727-N732 PolarHBondContact N-O 3.42Å; N727-E734 HydrophobicContact CB-CB 4.5Å; N727-E734 HydrophobicContact CB-CG 4.2Å; N727-E734 WeakPolarHBondContact CB-OE1 3.26Å; N727-E734 WeakPolarHBondContact CB-OE2 3.2Å; N727-E734 PolarHBondContact ND2-OE1 2.87Å; N727-E734 PolarHBondContact ND2-OE2 3.28Å
728	A	59	Low	71.4	Confident	30 Å²	30	49 Å²	49	25%	0.248	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.7	177.2	0	0	0	0	0	113.9	F726 R764	F726-A728 PolarHBondContact O-N 2.88Å; A728-R764 PolarHBondContact O-NH2 3.47Å
729	H	57.3	Low	71.6	Confident	68 Å²	68	44.3 Å²	44.3	32%	0.315	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-34.7	175.3	-78.7	112.5	0	0	0	114.3	H695 N727 R764 C1039	H695-H729 AromaticContact NE2-ND1 3.78Å; N727-H729 PolarHBondContact O-N 2.83Å; N727-H729 WeakPolarHBondContact OD1-CB 3.01Å; N727-H729 PolarHBondContact OD1-N 2.79Å; H729-R764 PolarHBondContact O-NH2 2.98Å; H729-C1039 PolarHBondContact CD2-SG 2.78Å; H729-C1039 VanDerWaalsContact CG-SG 3.55Å
730	T	68.9	Low	71.7	Confident	73 Å²	73	41.4 Å²	41.4	45%	0.448	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.6	175.2	62.6	0	0	0	0	113.2	N727 N732 E734	N727-T730 WeakPolarHBondContact CB-OG1 3.48Å; N727-T730 PolarHBondContact O-N 2.86Å; N727-T730 VanDerWaalsContact O-N 3.13Å; N727-T730 PolarHBondContact O-OG1 2.73Å; T730-N732 PolarHBondContact O-N 3.31Å; T730-N732 WeakPolarHBondContact OG1-CB 3.12Å; T730-N732 PolarHBondContact OG1-N 3.12Å; T730-E734 VanDerWaalsContact CB-OE1 3.29Å; T730-E734 WeakPolarHBondContact CB-OE1 3.1Å; T730-E734 WeakPolarHBondContact CG2-OE1 3.45Å; T730-E734 PolarHBondContact OG1-OE1 3.39Å
731	S	60	Low	71.5	Confident	24 Å²	24	37.5 Å²	37.5	17%	0.168	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	27.4	-172.5	-132.5	0	0	0	0	113.4	F726 N727 I762 R764	F726-S731 VanDerWaalsContact CE2-C 3.5Å; F726-S731 WeakPolarHBondContact CE2-O 3.4Å; F726-S731 VanDerWaalsContact CZ-CA 3.43Å; F726-S731 WeakPolarHBondContact CZ-O 3.45Å; N727-S731 WeakPolarHBondContact O-CA 3.14Å; N727-S731 PolarHBondContact O-N 2.81Å; S731-I762 PolarHBondContact OG-O 2.89Å; S731-I762 VanDerWaalsContact OG-O 3.12Å; S731-R764 VanDerWaalsContact OG-CB 3.29Å; S731-R764 WeakPolarHBondContact OG-CB 3.49Å; S731-R764 WeakPolarHBondContact OG-CD 3.27Å; S731-R764 WeakPolarHBondContact OG-CG 3.41Å
732	N	74.3	Confident	71.2	Confident	51 Å²	51	37.5 Å²	37.5	27%	0.273	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	161.3	-176.6	-165.9	29	0	0	0	111.2	N727 T730 K759	N727-N732 PolarHBondContact N-O 3.42Å; T730-N732 PolarHBondContact O-N 3.31Å; T730-N732 WeakPolarHBondContact OG1-CB 3.12Å; T730-N732 PolarHBondContact OG1-N 3.12Å; N732-K759 WeakPolarHBondContact OD1-CE 3.47Å; N732-K759 PolarHBondContact OD1-NZ 3.4Å
733	C	83.2	Confident	70.4	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.027	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125	162	-70.9	0	0	0	0	108.5	W724 F725 C754 Q755	W724-C733 HydrophobicContact CE3-CB 4.04Å; F725-C733 WeakPolarHBondContact O-CA 3.43Å; C733-C754 VanDerWaalsContact CA-SG 3.58Å; C733-C754 HydrophobicContact CB-CB 3.79Å; C733-C754 WeakPolarHBondContact CB-SG 2.97Å; C733-C754 WeakPolarHBondContact SG-CB 3.37Å; C733-C754 PolarHBondContact SG-O 2.93Å; C733-C754 VanDerWaalsContact SG-O 3.37Å; C733-C754 CovalentContact SG-SG 2.03Å; C733-C754 PolarHBondContact SG-SG 3.02Å; C733-Q755 HydrophobicContact CB-CG 4.18Å; C733-Q755 PolarHBondContact SG-N 2.81Å; C733-Q755 VanDerWaalsContact SG-N 3.41Å
734	E	82.6	Confident	69.4	Low	27 Å²	27	32.8 Å²	32.8	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.3	179.6	-76	167.8	-156.9	0	0	108.7	W724 F725 N727 T730	W724-E734 CarbonylContact C-O 3.51Å; W724-E734 WeakPolarHBondContact CA-O 3.17Å; F725-E734 HydrophobicContact CD1-CB 4.16Å; F725-E734 VanDerWaalsContact CD1-O 3.3Å; F725-E734 WeakPolarHBondContact CD1-O 3.42Å; F725-E734 HydrophobicContact CE1-CB 3.65Å; F725-E734 HydrophobicContact CZ-CB 4.16Å; F725-E734 WeakPolarHBondContact CZ-OE2 3.21Å; F725-E734 PolarHBondContact N-O 3.14Å; F725-E734 PolarHBondContact O-N 2.84Å; N727-E734 HydrophobicContact CB-CB 4.5Å; N727-E734 HydrophobicContact CB-CG 4.2Å; N727-E734 WeakPolarHBondContact CB-OE1 3.26Å; N727-E734 WeakPolarHBondContact CB-OE2 3.2Å; N727-E734 PolarHBondContact ND2-OE1 2.87Å; N727-E734 PolarHBondContact ND2-OE2 3.28Å; T730-E734 VanDerWaalsContact CB-OE1 3.29Å; T730-E734 WeakPolarHBondContact CB-OE1 3.1Å; T730-E734 WeakPolarHBondContact CG2-OE1 3.45Å; T730-E734 PolarHBondContact OG1-OE1 3.39Å
735	A	82.4	Confident	68.5	Low	42 Å²	42	33.9 Å²	33.9	35%	0.347	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.3	169.4	0	0	0	0	0	109.4	Q722 R723 W724	Q722-A735 HydrophobicContact CG-CB 4.05Å; R723-A735 WeakPolarHBondContact O-CA 3.31Å; W724-A735 HydrophobicContact CD2-CB 4.09Å; W724-A735 HydrophobicContact CE3-CB 4.29Å; W724-A735 HydrophobicContact CH2-CB 4.28Å; W724-A735 HydrophobicContact CZ2-CB 4.05Å; W724-A735 HydrophobicContact CZ3-CB 4.39Å
736	Y	78.1	Confident	68.2	Low	20 Å²	20	33.5 Å²	33.5	8%	0.078	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157	173.4	80.1	-74.1	0	0	0	110.8	P696 F698 R723 F725 Y738 T747	P696-Y736 HydrophobicContact CB-CD2 4.21Å; P696-Y736 HydrophobicContact CB-CE1 3.89Å; P696-Y736 HydrophobicContact CB-CE2 3.55Å; P696-Y736 WeakPolarHBondContact CB-OH 3.44Å; P696-Y736 HydrophobicContact CG-CD1 4.32Å; P696-Y736 HydrophobicContact CG-CD2 4.09Å; P696-Y736 HydrophobicContact CG-CE1 4.17Å; P696-Y736 HydrophobicContact CG-CE2 3.95Å; P696-Y736 HydrophobicContact CG-CG 4.27Å; F698-Y736 HydrophobicContact CE1-CD2 4.33Å; R723-Y736 HydrophobicContact CB-CD1 4.4Å; R723-Y736 HydrophobicContact CB-CE1 3.77Å; R723-Y736 PolarHBondContact N-O 3.46Å; R723-Y736 WeakPolarHBondContact O-CD1 3.08Å; R723-Y736 PolarHBondContact O-N 2.99Å; R723-Y736 VanDerWaalsContact O-O 3.12Å; F725-Y736 HydrophobicContact CB-CD1 4.03Å; F725-Y736 HydrophobicContact CB-CE1 4.02Å; F725-Y736 AromaticContact CD1-CD1 3.63Å; F725-Y736 HydrophobicContact CD1-CD1 3.63Å; F725-Y736 HydrophobicContact CD1-CE1 4.44Å; F725-Y736 AromaticContact CD1-CG 3.97Å; F725-Y736 HydrophobicContact CD1-CG 3.97Å; F725-Y736 HydrophobicContact CG-CD1 4.23Å; Y736-Y738 AromaticContact CE2-CD2 3.94Å; Y736-Y738 HydrophobicContact CE2-CD2 3.94Å; Y736-Y738 HydrophobicContact CE2-CG 4.32Å; Y736-Y738 AromaticContact CZ-CD2 4Å; Y736-Y738 PolarHBondContact O-N 3.29Å; Y736-Y738 WeakPolarHBondContact OH-CD2 3.21Å; Y736-T747 VanDerWaalsContact OH-CG2 3.27Å; Y736-T747 WeakPolarHBondContact OH-CG2 3.39Å; Y736-T747 PolarHBondContact OH-OG1 3.49Å
737	S	72.3	Confident	68.1	Low	64 Å²	64	34.8 Å²	34.8	45%	0.448	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	105.5	176.1	-151.8	0	0	0	0	109	N720	N720-S737 VanDerWaalsContact CB-OG 3.28Å; N720-S737 WeakPolarHBondContact CB-OG 3.41Å; N720-S737 PolarHBondContact OD1-OG 3.26Å
738	Y	66.8	Low	68.4	Low	26 Å²	26	36 Å²	36	10%	0.102	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.5	177.4	178	-114.5	0	0	0	110.2	L719 F721 R723 Y736 G740 C741 G742 A743	L719-Y738 VanDerWaalsContact O-O 3.08Å; F721-Y738 HydrophobicContact CB-CD1 4.3Å; F721-Y738 HydrophobicContact CD2-CD1 4.17Å; F721-Y738 PolarHBondContact N-O 3.17Å; F721-Y738 WeakPolarHBondContact O-CB 3.39Å; F721-Y738 PolarHBondContact O-N 2.91Å; R723-Y738 HydrophobicContact CG-CD1 3.85Å; R723-Y738 HydrophobicContact CG-CG 4.02Å; Y736-Y738 AromaticContact CE2-CD2 3.94Å; Y736-Y738 HydrophobicContact CE2-CD2 3.94Å; Y736-Y738 HydrophobicContact CE2-CG 4.32Å; Y736-Y738 AromaticContact CZ-CD2 4Å; Y736-Y738 PolarHBondContact O-N 3.29Å; Y736-Y738 WeakPolarHBondContact OH-CD2 3.21Å; Y738-G740 VanDerWaalsContact CE1-CA 3.5Å; Y738-G740 WeakPolarHBondContact CE1-O 3.45Å; Y738-G740 PolarHBondContact O-N 2.02Å; Y738-G740 VanDerWaalsContact OH-C 3.24Å; Y738-G740 PolarHBondContact OH-O 3.25Å; Y738-C741 WeakPolarHBondContact CE2-O 3.45Å; Y738-C741 WeakPolarHBondContact OH-CA 3.46Å; Y738-C741 PolarHBondContact OH-N 3.06Å; Y738-G742 PolarHBondContact OH-N 3.39Å; Y738-A743 HydrophobicContact CE2-CB 4.07Å; Y738-A743 WeakPolarHBondContact OH-CB 2.96Å; Y738-A743 PolarHBondContact OH-N 2.61Å
739	S	56.5	Low	69	Low	20 Å²	20	39.1 Å²	39.1	14%	0.14	24%	0.244	C	C	.	.			trans	-76.1	20.5	-173.3	55.9	0	0	0	0	115.1	G699 L719 C741	G699-S739 WeakPolarHBondContact O-CB 3.38Å; G699-S739 PolarHBondContact O-OG 3.02Å; L719-S739 CarbonylContact O-C 3.47Å; L719-S739 VanDerWaalsContact O-CA 3.22Å; L719-S739 WeakPolarHBondContact O-CA 3.18Å; S739-C741 PolarHBondContact O-N 3.19Å; S739-C741 PolarHBondContact OG-O 3.32Å
740	G	56.6	Low	70	Confident	29 Å²	29	39.5 Å²	39.5	30%	0.299	25%	0.248	S	C	.	.	S	Bend	trans	78.3	-19.9	-173.2	0	0	0	0	0	115.4	Y738	Y738-G740 VanDerWaalsContact CE1-CA 3.5Å; Y738-G740 WeakPolarHBondContact CE1-O 3.45Å; Y738-G740 PolarHBondContact O-N 2.02Å; Y738-G740 VanDerWaalsContact OH-C 3.24Å; Y738-G740 PolarHBondContact OH-O 3.25Å
741	C	56.3	Low	70.3	Confident	16 Å²	16	37.1 Å²	37.1	11%	0.108	24%	0.235	C	C	.	.	S	Bend	trans	-132.8	157.2	-174.9	-60.2	0	0	0	0	114	G511 G699 C701 Y738 S739	G511-C741 VanDerWaalsContact CA-SG 3.52Å; G699-C741 VanDerWaalsContact CA-O 3.24Å; G699-C741 WeakPolarHBondContact CA-O 3.48Å; G699-C741 PolarHBondContact N-O 3.19Å; C701-C741 HydrophobicContact CB-CB 3.51Å; C701-C741 WeakPolarHBondContact CB-SG 3.5Å; C701-C741 WeakPolarHBondContact SG-CB 3.47Å; C701-C741 CovalentContact SG-SG 2.01Å; C701-C741 PolarHBondContact SG-SG 3.3Å; Y738-C741 WeakPolarHBondContact CE2-O 3.45Å; Y738-C741 WeakPolarHBondContact OH-CA 3.46Å; Y738-C741 PolarHBondContact OH-N 3.06Å; S739-C741 PolarHBondContact O-N 3.19Å; S739-C741 PolarHBondContact OG-O 3.32Å
742	G	56.6	Low	71	Confident	34 Å²	34	43.3 Å²	43.3	35%	0.351	26%	0.262	S	S	.	.			trans	80.2	26.3	179.2	0	0	0	0	0	114.2	V697 Y738 S744	V697-G742 CarbonylContact C-O 3.54Å; V697-G742 VanDerWaalsContact CB-O 3.26Å; V697-G742 WeakPolarHBondContact CB-O 3.48Å; Y738-G742 PolarHBondContact OH-N 3.39Å; G742-S744 PolarHBondContact O-N 3.14Å
743	A	56.3	Low	71	Confident	62 Å²	62	42.3 Å²	42.3	51%	0.512	26%	0.26	S	S	.	.			trans	-50.7	133.3	173.5	0	0	0	0	0	110.7	Y738 T747	Y738-A743 HydrophobicContact CE2-CB 4.07Å; Y738-A743 WeakPolarHBondContact OH-CB 2.96Å; Y738-A743 PolarHBondContact OH-N 2.61Å; A743-T747 HydrophobicContact CB-CG2 4.14Å
744	S	62.1	Low	70.9	Confident	22 Å²	22	42.1 Å²	42.1	15%	0.154	26%	0.259	C	S	.	.			trans	-102.3	171.7	164	83.4	0	0	0	0	108.5	H695 P696 G742 N746 T747	H695-S744 PolarHBondContact O-OG 3.49Å; P696-S744 WeakPolarHBondContact CA-OG 3.26Å; G742-S744 PolarHBondContact O-N 3.14Å; S744-N746 PolarHBondContact O-N 3.15Å; S744-N746 WeakPolarHBondContact OG-CB 3.19Å; S744-N746 PolarHBondContact OG-N 3.12Å; S744-T747 PolarHBondContact N-OG1 2.89Å; S744-T747 WeakPolarHBondContact O-CB 3.05Å; S744-T747 PolarHBondContact O-N 3.08Å; S744-T747 PolarHBondContact O-OG1 3.19Å; S744-T747 VanDerWaalsContact O-OG1 3.12Å
745	E	68.3	Low	70.6	Confident	89 Å²	89	44.6 Å²	44.6	42%	0.416	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.6	176.5	-50.8	152.7	122.8	0	0	112.1	P691 R694 T747 F748	P691-E745 HydrophobicContact CB-CB 3.44Å; P691-E745 VanDerWaalsContact CB-CB 3.44Å; P691-E745 WeakPolarHBondContact CB-O 3.03Å; P691-E745 HydrophobicContact CG-CB 3.55Å; P691-E745 HydrophobicContact CG-CG 4.31Å; R694-E745 IonicContact CZ-OE2 3.34Å; R694-E745 IonicContact NE-OE2 3.72Å; R694-E745 IonicContact NH1-OE2 3.48Å; R694-E745 PolarHBondContact NH1-OE2 3.25Å; E745-T747 VanDerWaalsContact C-N 3.3Å; E745-F748 WeakPolarHBondContact O-CZ 3.1Å
746	N	78.3	Confident	69.8	Low	1 Å²	1	45.6 Å²	45.6	1%	0.005	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.7	169.4	-146.7	-3.6	0	0	0	113.7	P691 R694 F725 F726 S744 F748	P691-N746 WeakPolarHBondContact O-CB 3.29Å; P691-N746 PolarHBondContact O-ND2 3.19Å; R694-N746 VanDerWaalsContact O-CB 3.25Å; R694-N746 WeakPolarHBondContact O-CB 3.3Å; R694-N746 PolarHBondContact O-ND2 3.19Å; F725-N746 WeakPolarHBondContact CA-O 3.48Å; F725-N746 VanDerWaalsContact CB-O 3.24Å; F725-N746 WeakPolarHBondContact CB-O 3.29Å; F726-N746 WeakPolarHBondContact CA-OD1 3.21Å; F726-N746 WeakPolarHBondContact CB-OD1 3.25Å; F726-N746 PolarHBondContact N-OD1 2.89Å; F726-N746 PolarHBondContact O-ND2 3.26Å; S744-N746 PolarHBondContact O-N 3.15Å; S744-N746 WeakPolarHBondContact OG-CB 3.19Å; S744-N746 PolarHBondContact OG-N 3.12Å; N746-F748 VanDerWaalsContact O-CD2 3.29Å; N746-F748 WeakPolarHBondContact O-CD2 3.17Å; N746-F748 WeakPolarHBondContact O-CE2 3.29Å; N746-F748 WeakPolarHBondContact OD1-CE2 3.04Å
747	T	78.1	Confident	69.2	Low	27 Å²	27	45.6 Å²	45.6	17%	0.166	28%	0.283	C	S	.	.			trans	-88.2	118	178.1	-59.4	0	0	0	0	109.1	R723 Y736 A743 S744 E745	R723-T747 HydrophobicContact CB-CG2 4.02Å; R723-T747 HydrophobicContact CG-CG2 4.06Å; Y736-T747 VanDerWaalsContact OH-CG2 3.27Å; Y736-T747 WeakPolarHBondContact OH-CG2 3.39Å; Y736-T747 PolarHBondContact OH-OG1 3.49Å; A743-T747 HydrophobicContact CB-CG2 4.14Å; S744-T747 PolarHBondContact N-OG1 2.89Å; S744-T747 WeakPolarHBondContact O-CB 3.05Å; S744-T747 PolarHBondContact O-N 3.08Å; S744-T747 PolarHBondContact O-OG1 3.19Å; S744-T747 VanDerWaalsContact O-OG1 3.12Å; E745-T747 VanDerWaalsContact C-N 3.3Å
748	F	82.6	Confident	69.1	Low	27 Å²	27	42.5 Å²	42.5	12%	0.118	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-125	155.1	178.7	-55.9	-73.2	0	0	0	110.8	R723 W724 E745 N746 A753 C754 A757 C758	R723-F748 CarbonylContact C-O 3.52Å; R723-F748 WeakPolarHBondContact CA-O 3.45Å; R723-F748 WeakPolarHBondContact CB-O 3.18Å; W724-F748 HydrophobicContact CB-CB 4.43Å; W724-F748 PolarHBondContact N-O 2.82Å; W724-F748 PolarHBondContact O-N 3.46Å; E745-F748 WeakPolarHBondContact O-CZ 3.1Å; N746-F748 VanDerWaalsContact O-CD2 3.29Å; N746-F748 WeakPolarHBondContact O-CD2 3.17Å; N746-F748 WeakPolarHBondContact O-CE2 3.29Å; N746-F748 WeakPolarHBondContact OD1-CE2 3.04Å; F748-A753 HydrophobicContact CB-CB 4.28Å; F748-C754 HydrophobicContact CB-CB 3.83Å; F748-C754 HydrophobicContact CD2-CB 3.5Å; F748-C754 VanDerWaalsContact CD2-CB 3.5Å; F748-C754 HydrophobicContact CE2-CB 4.32Å; F748-C754 HydrophobicContact CG-CB 3.77Å; F748-A757 HydrophobicContact CD1-CB 4.03Å; F748-A757 HydrophobicContact CE1-CB 3.3Å; F748-A757 HydrophobicContact CE2-CB 4.45Å; F748-A757 HydrophobicContact CZ-CB 3.56Å; F748-C758 WeakPolarHBondContact CE2-SG 3.35Å; F748-C758 WeakPolarHBondContact CZ-SG 3.41Å
749	D	72.3	Confident	68.8	Low	96 Å²	96	44.6 Å²	44.6	51%	0.513	27%	0.271	S	S	.	.	S	Bend	trans	-79	-39	-172.4	-42.9	-51.7	0	0	0	110.7	R723	R723-D749 IonicContact CZ-OD1 3.93Å; R723-D749 IonicContact NH1-OD1 3.33Å; R723-D749 PolarHBondContact NH1-OD1 3.09Å
750	D	78.2	Confident	68.5	Low	75 Å²	75	47 Å²	47	40%	0.401	29%	0.292	S	S	.	.	S	Bend	trans	-137.4	169.6	-179.8	75.6	71.9	0	0	0	113.6	W724 Q752 A753 C754	W724-D750 VanDerWaalsContact CD1-C 3.43Å; W724-D750 VanDerWaalsContact CD1-CA 3.43Å; D750-Q752 VanDerWaalsContact C-N 3.3Å; D750-Q752 PolarHBondContact O-N 2.03Å; D750-Q752 WeakPolarHBondContact OD1-CA 3.36Å; D750-Q752 WeakPolarHBondContact OD1-CB 3.31Å; D750-Q752 PolarHBondContact OD1-N 2.74Å; D750-A753 PolarHBondContact O-N 3Å; D750-A753 PolarHBondContact OD1-N 2.7Å; D750-C754 PolarHBondContact O-N 3.25Å
751	A	74.8	Confident	68.1	Low	23 Å²	23	50.3 Å²	50.3	19%	0.19	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-32.1	-179	0	0	0	0	0	113.6	W724 Q755	W724-A751 HydrophobicContact CD2-CB 3.68Å; W724-A751 HydrophobicContact CE3-CB 3.65Å; W724-A751 HydrophobicContact CG-CB 4.44Å; W724-A751 HydrophobicContact CH2-CB 3.71Å; W724-A751 HydrophobicContact CZ2-CB 3.74Å; W724-A751 HydrophobicContact CZ3-CB 3.67Å; A751-Q755 VanDerWaalsContact O-CB 3.24Å; A751-Q755 WeakPolarHBondContact O-CB 2.95Å; A751-Q755 WeakPolarHBondContact O-CG 3.44Å; A751-Q755 PolarHBondContact O-N 3.4Å; A751-Q755 PolarHBondContact O-NE2 3.18Å
752	Q	73.9	Confident	67.5	Low	154 Å²	154	50.7 Å²	50.7	72%	0.72	30%	0.296	S	S	*	.	H	α-helix	trans	-79.6	-38.1	-179.2	-172.5	172.9	-33.4	0	0	111.2	D750 Q755 A756	D750-Q752 VanDerWaalsContact C-N 3.3Å; D750-Q752 PolarHBondContact O-N 2.03Å; D750-Q752 WeakPolarHBondContact OD1-CA 3.36Å; D750-Q752 WeakPolarHBondContact OD1-CB 3.31Å; D750-Q752 PolarHBondContact OD1-N 2.74Å; Q752-Q755 PolarHBondContact O-N 2.84Å; Q752-A756 WeakPolarHBondContact O-CB 3.28Å; Q752-A756 PolarHBondContact O-N 3.36Å
753	A	75.1	Confident	66.4	Low	30 Å²	30	52.9 Å²	52.9	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-52.2	167.9	0	0	0	0	0	111.1	F748 D750 Q755 A756 A757	F748-A753 HydrophobicContact CB-CB 4.28Å; D750-A753 PolarHBondContact O-N 3Å; D750-A753 PolarHBondContact OD1-N 2.7Å; A753-Q755 VanDerWaalsContact C-N 3.26Å; A753-Q755 PolarHBondContact O-N 3.33Å; A753-A756 PolarHBondContact O-N 3.28Å; A753-A757 WeakPolarHBondContact O-CB 3.35Å; A753-A757 PolarHBondContact O-N 3.45Å
754	C	81.4	Confident	65	Low	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-37.7	172.1	173	0	0	0	0	112.3	W724 F725 F726 C733 F748 D750 C758 K759	W724-C754 HydrophobicContact CB-CB 4.02Å; F725-C754 VanDerWaalsContact C-SG 3.54Å; F726-C754 PolarHBondContact N-SG 3.24Å; C733-C754 VanDerWaalsContact CA-SG 3.58Å; C733-C754 HydrophobicContact CB-CB 3.79Å; C733-C754 WeakPolarHBondContact CB-SG 2.97Å; C733-C754 WeakPolarHBondContact SG-CB 3.37Å; C733-C754 PolarHBondContact SG-O 2.93Å; C733-C754 VanDerWaalsContact SG-O 3.37Å; C733-C754 CovalentContact SG-SG 2.03Å; C733-C754 PolarHBondContact SG-SG 3.02Å; F748-C754 HydrophobicContact CB-CB 3.83Å; F748-C754 HydrophobicContact CD2-CB 3.5Å; F748-C754 VanDerWaalsContact CD2-CB 3.5Å; F748-C754 HydrophobicContact CE2-CB 4.32Å; F748-C754 HydrophobicContact CG-CB 3.77Å; D750-C754 PolarHBondContact O-N 3.25Å; C754-C758 WeakPolarHBondContact O-CA 3.18Å; C754-C758 VanDerWaalsContact O-CB 3.27Å; C754-C758 WeakPolarHBondContact O-CB 3.39Å; C754-C758 PolarHBondContact O-N 3.46Å; C754-K759 PolarHBondContact O-N 3.1Å
755	Q	75.2	Confident	64	Low	79 Å²	79	55.8 Å²	55.8	37%	0.369	30%	0.303	S	S	.	.	I	π-helix	trans	-72.1	-36.4	179.8	-78.1	176.4	76.5	0	0	113	C733 A751 Q752 A753 K759 A760	C733-Q755 HydrophobicContact CB-CG 4.18Å; C733-Q755 PolarHBondContact SG-N 2.81Å; C733-Q755 VanDerWaalsContact SG-N 3.41Å; A751-Q755 VanDerWaalsContact O-CB 3.24Å; A751-Q755 WeakPolarHBondContact O-CB 2.95Å; A751-Q755 WeakPolarHBondContact O-CG 3.44Å; A751-Q755 PolarHBondContact O-N 3.4Å; A751-Q755 PolarHBondContact O-NE2 3.18Å; Q752-Q755 PolarHBondContact O-N 2.84Å; A753-Q755 VanDerWaalsContact C-N 3.26Å; A753-Q755 PolarHBondContact O-N 3.33Å; Q755-K759 HydrophobicContact CB-CB 4.01Å; Q755-K759 HydrophobicContact CG-CB 3.71Å; Q755-K759 HydrophobicContact CG-CD 3.63Å; Q755-K759 HydrophobicContact CG-CG 4.31Å; Q755-K759 CarbonylContact O-C 3.47Å; Q755-K759 PolarHBondContact O-N 3.34Å; Q755-K759 VanDerWaalsContact O-N 3.13Å; Q755-A760 WeakPolarHBondContact O-CB 3.48Å; Q755-A760 PolarHBondContact O-N 2.9Å
756	A	65.3	Low	62.2	Low	63 Å²	63	55.2 Å²	55.2	52%	0.521	30%	0.303	S	S	.	.	I	π-helix	trans	-74.3	-39.5	176.3	0	0	0	0	0	112.6	Q752 A753	Q752-A756 WeakPolarHBondContact O-CB 3.28Å; Q752-A756 PolarHBondContact O-N 3.36Å; A753-A756 PolarHBondContact O-N 3.28Å
757	A	66.4	Low	59.9	Low	20 Å²	20	66 Å²	66	17%	0.165	34%	0.343	C	S	.	.	I	π-helix	trans	-68.1	-51.3	173.7	0	0	0	0	0	111	F748 A753 R761	F748-A757 HydrophobicContact CD1-CB 4.03Å; F748-A757 HydrophobicContact CE1-CB 3.3Å; F748-A757 HydrophobicContact CE2-CB 4.45Å; F748-A757 HydrophobicContact CZ-CB 3.56Å; A753-A757 WeakPolarHBondContact O-CB 3.35Å; A753-A757 PolarHBondContact O-N 3.45Å; A757-R761 WeakPolarHBondContact O-CD 3.39Å; A757-R761 WeakPolarHBondContact O-CG 3.38Å; A757-R761 PolarHBondContact O-NE 2.76Å
758	C	70.5	Confident	57.5	Low	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.352	C	S	.	.	I	π-helix	trans	-117.7	-53	-165.3	-59.7	0	0	0	0	115	C692 F726 F748 C754 A760 R761 I762	C692-C758 VanDerWaalsContact CA-SG 3.59Å; C692-C758 HydrophobicContact CB-CB 3.57Å; C692-C758 WeakPolarHBondContact CB-SG 3.38Å; C692-C758 WeakPolarHBondContact SG-CA 3.43Å; C692-C758 WeakPolarHBondContact SG-CB 3.36Å; C692-C758 CovalentContact SG-SG 2.02Å; C692-C758 PolarHBondContact SG-SG 3.32Å; F726-C758 HydrophobicContact CB-CB 3.29Å; F726-C758 HydrophobicContact CD1-CB 4.17Å; F726-C758 HydrophobicContact CD2-CB 3.46Å; F726-C758 VanDerWaalsContact CD2-CB 3.46Å; F726-C758 HydrophobicContact CE2-CB 4.33Å; F726-C758 HydrophobicContact CG-CB 3.34Å; F748-C758 WeakPolarHBondContact CE2-SG 3.35Å; F748-C758 WeakPolarHBondContact CZ-SG 3.41Å; C754-C758 WeakPolarHBondContact O-CA 3.18Å; C754-C758 VanDerWaalsContact O-CB 3.27Å; C754-C758 WeakPolarHBondContact O-CB 3.39Å; C754-C758 PolarHBondContact O-N 3.46Å; C758-A760 VanDerWaalsContact C-N 3.27Å; C758-A760 PolarHBondContact O-N 2.94Å; C758-R761 CarbonylContact O-C 3.59Å; C758-R761 PolarHBondContact O-N 3.4Å; C758-I762 PolarHBondContact O-N 2.03Å
759	K	61	Low	55.3	Low	69 Å²	69	67.5 Å²	67.5	30%	0.3	35%	0.351	S	S	.	.	I	π-helix	trans	-65.2	-29	-173.1	-160.6	173.2	-173.7	179.1	0	113.6	F726 N732 C754 Q755 R761 I762 V763	F726-K759 HydrophobicContact CD2-CB 4.2Å; F726-K759 HydrophobicContact CE2-CB 3.78Å; F726-K759 HydrophobicContact CE2-CG 3.99Å; N732-K759 WeakPolarHBondContact OD1-CE 3.47Å; N732-K759 PolarHBondContact OD1-NZ 3.4Å; C754-K759 PolarHBondContact O-N 3.1Å; Q755-K759 HydrophobicContact CB-CB 4.01Å; Q755-K759 HydrophobicContact CG-CB 3.71Å; Q755-K759 HydrophobicContact CG-CD 3.63Å; Q755-K759 HydrophobicContact CG-CG 4.31Å; Q755-K759 CarbonylContact O-C 3.47Å; Q755-K759 PolarHBondContact O-N 3.34Å; Q755-K759 VanDerWaalsContact O-N 3.13Å; K759-R761 VanDerWaalsContact C-N 3.33Å; K759-I762 CarbonylContact O-C 3.52Å; K759-V763 VanDerWaalsContact O-CG2 3.24Å; K759-V763 WeakPolarHBondContact O-CG2 3.45Å; K759-V763 PolarHBondContact O-N 3.06Å; K759-V763 VanDerWaalsContact O-N 3.09Å
760	A	48.9	Very low	53.7	Low	70 Å²	70	67 Å²	67	58%	0.579	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.8	172.2	0	0	0	0	0	113.2	Q755 C758	Q755-A760 WeakPolarHBondContact O-CB 3.48Å; Q755-A760 PolarHBondContact O-N 2.9Å; C758-A760 VanDerWaalsContact C-N 3.27Å; C758-A760 PolarHBondContact O-N 2.94Å
761	R	48	Very low	52	Low	100 Å²	100	63.5 Å²	63.5	38%	0.377	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-32.9	-175.1	-51	-171.4	-164.8	-131.9	-7.1	112.4	M685 A757 C758 K759 V763	M685-R761 PolarHBondContact O-NH1 2.03Å; A757-R761 WeakPolarHBondContact O-CD 3.39Å; A757-R761 WeakPolarHBondContact O-CG 3.38Å; A757-R761 PolarHBondContact O-NE 2.76Å; C758-R761 CarbonylContact O-C 3.59Å; C758-R761 PolarHBondContact O-N 3.4Å; K759-R761 VanDerWaalsContact C-N 3.33Å; R761-V763 VanDerWaalsContact C-N 3.34Å
762	I	44.1	Very low	50.2	Low	23 Å²	23	65.5 Å²	65.5	12%	0.118	33%	0.331	C	S	.	.			trans	-105.7	46.8	169.9	-42.7	-173.3	0	0	0	109.1	C692 F726 S731 C758 K759 R764	C692-I762 HydrophobicContact CB-CD1 3.41Å; C692-I762 VanDerWaalsContact CB-CD1 3.41Å; C692-I762 HydrophobicContact CB-CG1 4.3Å; F726-I762 HydrophobicContact CD1-CB 4.4Å; F726-I762 HydrophobicContact CD1-CD1 4.07Å; F726-I762 HydrophobicContact CE1-CB 3.55Å; F726-I762 HydrophobicContact CE1-CD1 3.91Å; F726-I762 HydrophobicContact CE1-CG1 4.23Å; F726-I762 HydrophobicContact CE1-CG2 3.56Å; F726-I762 HydrophobicContact CE2-CB 4.48Å; F726-I762 HydrophobicContact CZ-CB 3.58Å; F726-I762 HydrophobicContact CZ-CG2 3.79Å; S731-I762 PolarHBondContact OG-O 2.89Å; S731-I762 VanDerWaalsContact OG-O 3.12Å; C758-I762 PolarHBondContact O-N 2.03Å; K759-I762 CarbonylContact O-C 3.52Å; I762-R764 HydrophobicContact CG2-CB 3.98Å; I762-R764 HydrophobicContact CG2-CG 4Å; I762-R764 PolarHBondContact O-N 3.47Å
763	V	32.5	Very low	48.4	Very low	80 Å²	80	60.2 Å²	60.2	49%	0.485	31%	0.311	S	S	.	.				-70.1	65.5	125.4	-164.9	0	0	0	0	108.3	K759 R761	K759-V763 VanDerWaalsContact O-CG2 3.24Å; K759-V763 WeakPolarHBondContact O-CG2 3.45Å; K759-V763 PolarHBondContact O-N 3.06Å; K759-V763 VanDerWaalsContact O-N 3.09Å; R761-V763 VanDerWaalsContact C-N 3.34Å
764	R	28.1	Very low	46.8	Very low	103 Å²	103	62.3 Å²	62.3	39%	0.389	32%	0.318	S	S	.	.				-9.8	147.6	129.8	-129.2	-148.1	-147.6	178.3	7.8	110.5	A728 H729 S731 I762	A728-R764 PolarHBondContact O-NH2 3.47Å; H729-R764 PolarHBondContact O-NH2 2.98Å; S731-R764 VanDerWaalsContact OG-CB 3.29Å; S731-R764 WeakPolarHBondContact OG-CB 3.49Å; S731-R764 WeakPolarHBondContact OG-CD 3.27Å; S731-R764 WeakPolarHBondContact OG-CG 3.41Å; I762-R764 HydrophobicContact CG2-CB 3.98Å; I762-R764 HydrophobicContact CG2-CG 4Å; I762-R764 PolarHBondContact O-N 3.47Å
765	P	41.1	Very low	44.9	Very low	43 Å²	43	63 Å²	63	28%	0.279	32%	0.322	S	S	.	.			cis	-161.1	-124.3	38.8	44.9	-20.2	0	0	0	112.6	Q769	P765-Q769 VanDerWaalsContact CD-OE1 3.26Å; P765-Q769 HydrophobicContact CG-CG 4.26Å; P765-Q769 WeakPolarHBondContact O-CB 3.44Å; P765-Q769 PolarHBondContact O-N 3.03Å; P765-Q769 VanDerWaalsContact O-N 3.14Å
766	D	29.6	Very low	43.2	Very low	77 Å²	77	65.7 Å²	65.7	41%	0.412	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	cis	-140.6	116.5	-31	-110	-38	0	0	0	104.3	D768 Q769 S773	D766-D768 CarbonylContact O-C 3.28Å; D766-D768 PolarHBondContact O-N 3.32Å; D766-D768 VanDerWaalsContact O-N 3.15Å; D766-Q769 HydrophobicContact CB-CG 4.12Å; D766-S773 PolarHBondContact O-OG 3.29Å; D766-S773 VanDerWaalsContact O-OG 3.09Å
767	R	30.7	Very low	42.4	Very low	227 Å²	227	65.1 Å²	65.1	86%	0.857	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	32.8	-172.2	-50.7	163	151.1	-172.5	-4.6	113	S773	R767-S773 WeakPolarHBondContact CD-OG 3.37Å
768	D	26.9	Very low	41.2	Very low	67 Å²	67	74.7 Å²	74.7	36%	0.358	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	102.9	-156.7	-161.5	-28.1	0	0	0	111.2	D766 R770	D766-D768 CarbonylContact O-C 3.28Å; D766-D768 PolarHBondContact O-N 3.32Å; D766-D768 VanDerWaalsContact O-N 3.15Å; D768-R770 HydrophobicContact CB-CB 4.37Å; D768-R770 CarbonylContact O-C 3.57Å; D768-R770 WeakPolarHBondContact O-CB 3.47Å; D768-R770 PolarHBondContact O-N 3.29Å; D768-R770 WeakPolarHBondContact OD1-CB 3.02Å; D768-R770 WeakPolarHBondContact OD1-CG 3.02Å; D768-R770 PolarHBondContact OD1-N 3.26Å; D768-R770 IonicContact OD1-NE 3.52Å; D768-R770 IonicContact OD2-CZ 3.21Å; D768-R770 IonicContact OD2-NE 2.94Å; D768-R770 PolarHBondContact OD2-NE 3.05Å; D768-R770 IonicContact OD2-NH2 2.59Å; D768-R770 PolarHBondContact OD2-NH2 3.02Å
769	Q	37.4	Very low	40	Very low	18 Å²	18	79.3 Å²	79.3	8%	0.084	38%	0.382	C	S	.	.			trans	-76.2	34.5	168.9	-101.2	-172.8	21	0	0	113.3	P765 D766 S805	P765-Q769 VanDerWaalsContact CD-OE1 3.26Å; P765-Q769 HydrophobicContact CG-CG 4.26Å; P765-Q769 WeakPolarHBondContact O-CB 3.44Å; P765-Q769 PolarHBondContact O-N 3.03Å; P765-Q769 VanDerWaalsContact O-N 3.14Å; D766-Q769 HydrophobicContact CB-CG 4.12Å; Q769-S805 WeakPolarHBondContact O-CB 3.34Å; Q769-S805 PolarHBondContact O-OG 3.38Å
770	R	37.9	Very low	39.1	Very low	86 Å²	86	76.5 Å²	76.5	33%	0.325	37%	0.372	S	S	.	.	S	Bend		-33.3	138	116.2	-89.3	-173.4	-94.1	-172.3	-2.2	109.1	D768 D772 T810	D768-R770 HydrophobicContact CB-CB 4.37Å; D768-R770 CarbonylContact O-C 3.57Å; D768-R770 WeakPolarHBondContact O-CB 3.47Å; D768-R770 PolarHBondContact O-N 3.29Å; D768-R770 WeakPolarHBondContact OD1-CB 3.02Å; D768-R770 WeakPolarHBondContact OD1-CG 3.02Å; D768-R770 PolarHBondContact OD1-N 3.26Å; D768-R770 IonicContact OD1-NE 3.52Å; D768-R770 IonicContact OD2-CZ 3.21Å; D768-R770 IonicContact OD2-NE 2.94Å; D768-R770 PolarHBondContact OD2-NE 3.05Å; D768-R770 IonicContact OD2-NH2 2.59Å; D768-R770 PolarHBondContact OD2-NH2 3.02Å; R770-D772 HydrophobicContact CB-CB 4.39Å; R770-D772 PolarHBondContact O-N 3.12Å; R770-T810 HydrophobicContact CG-CG2 4.4Å; R770-T810 WeakPolarHBondContact CG-OG1 3.24Å
771	C	43.6	Very low	38.8	Very low	1 Å²	1	79.8 Å²	79.8	1%	0.007	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	16.5	-167.7	-47.5	0	0	0	0	114.6	S773 H803 F814	C771-S773 PolarHBondContact O-N 3.33Å; C771-H803 HydrophobicContact CB-CB 3.26Å; C771-H803 VanDerWaalsContact SG-C 3.53Å; C771-H803 WeakPolarHBondContact SG-CB 3.41Å; C771-H803 PolarHBondContact SG-O 2.88Å; C771-F814 VanDerWaalsContact C-CE2 3.44Å; C771-F814 HydrophobicContact CB-CD2 4.28Å; C771-F814 HydrophobicContact CB-CE2 3.64Å; C771-F814 HydrophobicContact CB-CZ 4.36Å; C771-F814 VanDerWaalsContact O-CE2 3.31Å; C771-F814 WeakPolarHBondContact O-CE2 3.3Å; C771-F814 WeakPolarHBondContact O-CZ 3.49Å
772	D	36.9	Very low	38.5	Very low	66 Å²	66	78.2 Å²	78.2	35%	0.353	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.4	-179.5	-69.6	20.6	0	0	0	115.2	R770 K812 F814 R856	R770-D772 HydrophobicContact CB-CB 4.39Å; R770-D772 PolarHBondContact O-N 3.12Å; D772-K812 WeakPolarHBondContact OD1-CD 3.06Å; D772-K812 WeakPolarHBondContact OD1-CE 3.38Å; D772-K812 IonicContact OD1-NZ 3.05Å; D772-K812 PolarHBondContact OD1-NZ 2.82Å; D772-K812 IonicContact OD2-NZ 3.62Å; D772-F814 HydrophobicContact CB-CZ 4.38Å; D772-F814 VanDerWaalsContact N-CZ 3.3Å; D772-F814 WeakPolarHBondContact OD1-CZ 3.02Å; D772-R856 VanDerWaalsContact CG-NH1 3.3Å; D772-R856 IonicContact OD1-CZ 2.79Å; D772-R856 IonicContact OD1-NH1 3.32Å; D772-R856 PolarHBondContact OD1-NH1 2.94Å; D772-R856 IonicContact OD1-NH2 3.3Å; D772-R856 PolarHBondContact OD1-NH2 3.17Å; D772-R856 IonicContact OD2-CZ 3.95Å; D772-R856 IonicContact OD2-NH1 2.67Å; D772-R856 PolarHBondContact OD2-NH1 3.14Å; D772-R856 IonicContact OD2-NH2 2.7Å
773	S	35.8	Very low	38.3	Very low	43 Å²	43	82.3 Å²	82.3	30%	0.301	39%	0.393	S	S	.	.	S	Bend	trans	-112.8	-43.7	-173.2	-64.9	0	0	0	0	114.8	D766 R767 C771	D766-S773 PolarHBondContact O-OG 3.29Å; D766-S773 VanDerWaalsContact O-OG 3.09Å; R767-S773 WeakPolarHBondContact CD-OG 3.37Å; C771-S773 PolarHBondContact O-N 3.33Å
774	N	42	Very low	38.5	Very low	74 Å²	74	81.9 Å²	81.9	40%	0.396	39%	0.393	S	S	.	.			trans	-156.5	108.3	175	-169	-17.3	0	0	0	111.2	H776 T777	N774-H776 PolarHBondContact O-N 2.78Å; N774-H776 PolarHBondContact OD1-N 2.86Å; N774-T777 HydrophobicContact CB-CG2 4.45Å; N774-T777 PolarHBondContact O-OG1 2.74Å
775	P	40	Very low	39	Very low	13 Å²	13	79.3 Å²	79.3	8%	0.084	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.1	-175.4	15.9	-24.7	0	0	0	115.6	H803 L816	P775-H803 WeakPolarHBondContact CB-CE1 3.41Å; P775-H803 WeakPolarHBondContact CB-NE2 3.01Å; P775-H803 PolarHBondContact O-CE1 2.95Å; P775-H803 PolarHBondContact O-ND1 2.8Å; P775-L816 HydrophobicContact CG-CD1 3.42Å; P775-L816 VanDerWaalsContact CG-CD1 3.42Å; P775-L816 HydrophobicContact CG-CG 4.34Å
776	H	40.5	Very low	38.6	Very low	137 Å²	137	82.9 Å²	82.9	63%	0.634	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	7.2	-167.4	-61.3	-69.5	0	0	0	115.1	N774	N774-H776 PolarHBondContact O-N 2.78Å; N774-H776 PolarHBondContact OD1-N 2.86Å
777	T	47.6	Very low	38.6	Very low	51 Å²	51	81.4 Å²	81.4	31%	0.313	42%	0.418	S	S	.	.	S	Bend	trans	-88.7	149.4	-178.6	45.1	0	0	0	0	113.6	N774 K779 C780	N774-T777 HydrophobicContact CB-CG2 4.45Å; N774-T777 PolarHBondContact O-OG1 2.74Å; T777-K779 PolarHBondContact O-N 3.49Å; T777-C780 PolarHBondContact O-N 2.85Å; T777-C780 VanDerWaalsContact O-N 3.07Å
778	K	41.2	Very low	38.4	Very low	221 Å²	221	76.6 Å²	76.6	96%	0.961	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	20	-164.8	-66.9	-173.4	174.8	-178.8	0	118.5
779	K	45.4	Very low	38.4	Very low	96 Å²	96	81 Å²	81	42%	0.417	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	4.4	170.5	-68.3	-170.5	177.1	-174.9	0	114	T777	T777-K779 PolarHBondContact O-N 3.49Å
780	C	44	Very low	38	Very low	11 Å²	11	88.3 Å²	88.3	7%	0.074	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	105.7	178.2	-63.4	0	0	0	0	110.4	T777 T782 H803 F804	T777-C780 PolarHBondContact O-N 2.85Å; T777-C780 VanDerWaalsContact O-N 3.07Å; C780-T782 PolarHBondContact O-N 2.75Å; C780-H803 HydrophobicContact CB-CB 4.28Å; C780-F804 WeakPolarHBondContact CA-O 3.46Å
781	Y	41.8	Very low	37.6	Very low	139 Å²	139	92 Å²	92	55%	0.545	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115.8	-177	-69	-97.4	0	0	0	111.1	F802 H803 F804 M806	Y781-F802 VanDerWaalsContact O-O 3.07Å; Y781-H803 VanDerWaalsContact O-CA 3.28Å; Y781-H803 WeakPolarHBondContact O-CA 2.98Å; Y781-F804 HydrophobicContact CD2-CD1 4.08Å; Y781-F804 PolarHBondContact N-O 2.71Å; Y781-F804 VanDerWaalsContact N-O 3.1Å; Y781-F804 PolarHBondContact O-N 3.49Å; Y781-M806 HydrophobicContact CE2-CG 3.83Å; Y781-M806 HydrophobicContact CE2-SD 3.59Å; Y781-M806 VanDerWaalsContact CE2-SD 3.59Å
782	T	41.8	Very low	37	Very low	66 Å²	66	98.9 Å²	98.9	41%	0.405	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	108.8	-174.4	-52	0	0	0	0	111.4	C780 A801 F802 H803	C780-T782 PolarHBondContact O-N 2.75Å; T782-A801 HydrophobicContact CG2-CB 4.17Å; T782-F802 CarbonylContact C-O 3.58Å; T782-F802 WeakPolarHBondContact CA-O 3.33Å; T782-H803 VanDerWaalsContact CG2-CE1 3.45Å; T782-H803 WeakPolarHBondContact CG2-CE1 2.98Å; T782-H803 PolarHBondContact OG1-CE1 2.96Å; T782-H803 PolarHBondContact OG1-ND1 2.94Å
783	L	40	Very low	36.7	Very low	110 Å²	110	101.6 Å²	101.6	58%	0.576	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.2	96.1	165.5	-64.1	162.5	0	0	0	108.2	A801 F802	L783-A801 CarbonylContact O-C 3.56Å; L783-A801 WeakPolarHBondContact O-CA 3.46Å; L783-F802 HydrophobicContact CB-CB 4.13Å; L783-F802 HydrophobicContact CD1-CB 4.35Å; L783-F802 PolarHBondContact N-O 3.48Å; L783-F802 PolarHBondContact O-N 2.93Å
784	S	37.3	Very low	36.5	Very low	70 Å²	70	103.7 Å²	103.7	49%	0.49	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.8	119.1	173.8	38.4	0	0	0	0	110	S786 I800	S784-S786 PolarHBondContact O-N 2.98Å; S784-S786 VanDerWaalsContact O-N 3.12Å; S784-I800 WeakPolarHBondContact CA-O 3.34Å
785	V	37.8	Very low	36	Very low	50 Å²	50	103.6 Å²	103.6	30%	0.303	57%	0.573	S	S	.	*			trans	-81.8	90	177.4	-174.1	0	0	0	0	109.1	G787 I800 F802 F829	V785-G787 PolarHBondContact O-N 3.31Å; V785-G787 VanDerWaalsContact O-N 3.14Å; V785-I800 HydrophobicContact CB-CB 4.34Å; V785-I800 HydrophobicContact CG2-CB 4.3Å; V785-I800 HydrophobicContact CG2-CG2 4.45Å; V785-I800 PolarHBondContact N-O 3.46Å; V785-F802 HydrophobicContact CG2-CD2 4.17Å; V785-F802 HydrophobicContact CG2-CE2 3.82Å; V785-F829 HydrophobicContact CG1-CE1 4.24Å; V785-F829 HydrophobicContact CG1-CE2 4.24Å; V785-F829 HydrophobicContact CG1-CZ 3.61Å
786	S	32.1	Very low	35.7	Very low	118 Å²	118	109.9 Å²	109.9	83%	0.825	60%	0.601	S	S	*	*			trans	-70.5	100.9	166.9	-63.3	0	0	0	0	109.3	S784	S784-S786 PolarHBondContact O-N 2.98Å; S784-S786 VanDerWaalsContact O-N 3.12Å
787	G	29.9	Very low	35.4	Very low	46 Å²	46	107.1 Å²	107.1	47%	0.474	59%	0.587	S	S	.	*			trans	-74.6	158.4	179.5	0	0	0	0	0	114	V785	V785-G787 PolarHBondContact O-N 3.31Å; V785-G787 VanDerWaalsContact O-N 3.14Å
788	S	27	Very low	34.8	Very low	125 Å²	125	107.1 Å²	107.1	87%	0.874	59%	0.585	S	S	*	*			trans	62.8	140.9	162.1	55.1	0	0	0	0	120.7
789	N	27.6	Very low	34.5	Very low	159 Å²	159	101.5 Å²	101.5	85%	0.85	57%	0.565	S	S	*	*			trans	-32.9	178.9	162.6	-64.4	-22.2	0	0	0	119.1
790	Q	27.8	Very low	34	Very low	173 Å²	173	98.8 Å²	98.8	81%	0.808	56%	0.555	S	S	*	*	S	Bend	trans	-43.8	140.3	167.2	-62.1	165.2	-63.3	0	0	114.1
791	Q	29.7	Very low	33.8	Very low	162 Å²	162	98.8 Å²	98.8	76%	0.757	56%	0.555	S	S	*	*			trans	77.9	129	158.1	-63.7	167.3	-73.6	0	0	118.8
792	D	31.9	Very low	33.8	Very low	146 Å²	146	95.2 Å²	95.2	78%	0.781	54%	0.543	S	S	*	.			trans	64.3	142	152.8	-56.5	-16.8	0	0	0	120.7
793	V	30.1	Very low	34	Very low	123 Å²	123	92.1 Å²	92.1	75%	0.745	52%	0.524	S	S	*	.			cis	-163.2	140	-31.9	110.3	0	0	0	0	109
794	S	31.5	Very low	34	Very low	88 Å²	88	90.1 Å²	90.1	62%	0.615	51%	0.51	S	S	*	.			trans	71	149.4	163.6	81.8	0	0	0	0	123.1	R820	S794-R820 PolarHBondContact O-NH1 3.1Å; S794-R820 PolarHBondContact O-NH2 3.1Å
795	S	32.1	Very low	34.2	Very low	71 Å²	71	86.9 Å²	86.9	50%	0.497	49%	0.488	S	S	.	.	S	Bend	trans	85.6	32	144.3	65.6	0	0	0	0	124.3	R820	S795-R820 VanDerWaalsContact C-NH2 3.33Å; S795-R820 WeakPolarHBondContact O-CD 3.37Å; S795-R820 WeakPolarHBondContact O-CG 3.46Å; S795-R820 PolarHBondContact O-NE 3.15Å; S795-R820 PolarHBondContact O-NH1 3.17Å; S795-R820 PolarHBondContact OG-NH1 3.37Å
796	E	32.7	Very low	34.3	Very low	145 Å²	145	90.8 Å²	90.8	68%	0.678	50%	0.504	S	S	*	.			trans	72.5	86.6	166.1	-45.8	179	120.5	0	0	117.9	R820	E796-R820 VanDerWaalsContact C-NE 3.28Å; E796-R820 WeakPolarHBondContact O-CB 3.34Å; E796-R820 PolarHBondContact O-NE 3.08Å
797	K	34.1	Very low	34.3	Very low	80 Å²	80	89.2 Å²	89.2	35%	0.348	49%	0.493	S	S	.	.			trans	-139.9	142.4	168.5	-100.1	165.8	-176.5	170.3	0	116.1	T818 R820 P821 G822 C823	K797-T818 HydrophobicContact CB-CG2 4.26Å; K797-T818 HydrophobicContact CG-CG2 3.92Å; K797-R820 VanDerWaalsContact CB-NH2 3.34Å; K797-R820 VanDerWaalsContact CD-NE 3.34Å; K797-R820 WeakPolarHBondContact CE-O 3.47Å; K797-R820 HydrophobicContact CG-CB 4.17Å; K797-R820 VanDerWaalsContact CG-NE 3.28Å; K797-P821 WeakPolarHBondContact CE-O 3.09Å; K797-P821 PolarHBondContact NZ-O 3.19Å; K797-G822 PolarHBondContact NZ-O 3.43Å; K797-C823 WeakPolarHBondContact CD-SG 3.36Å; K797-C823 WeakPolarHBondContact CE-SG 2.98Å; K797-C823 VanDerWaalsContact CG-SG 3.5Å
798	D	35.1	Very low	34.7	Very low	50 Å²	50	89 Å²	89	27%	0.267	48%	0.484	S	S	.	.			trans	2.9	101.4	177.2	-77.6	-71.3	0	0	0	119.3	H815 T818 C823	D798-H815 IonicContact OD1-CE1 3.35Å; D798-H815 IonicContact OD1-CG 2.65Å; D798-H815 IonicContact OD1-ND1 2.96Å; D798-H815 PolarHBondContact OD1-ND1 2.78Å; D798-T818 HydrophobicContact CB-CG2 4.07Å; D798-T818 WeakPolarHBondContact OD2-CG2 3.2Å; D798-T818 PolarHBondContact OD2-OG1 2.98Å; D798-C823 PolarHBondContact OD2-SG 2.76Å
799	I	35.8	Very low	35.2	Very low	104 Å²	104	86.8 Å²	86.8	53%	0.533	47%	0.474	S	S	.	.			trans	-89.5	114.7	161.6	-59	173.7	0	0	0	108.2	A801	I799-A801 PolarHBondContact O-N 3.36Å
800	I	34	Very low	35.9	Very low	39 Å²	39	81.2 Å²	81.2	20%	0.2	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.8	164	-58	-179.7	0	0	0	107.6	S784 V785 F802 F829	S784-I800 WeakPolarHBondContact CA-O 3.34Å; V785-I800 HydrophobicContact CB-CB 4.34Å; V785-I800 HydrophobicContact CG2-CB 4.3Å; V785-I800 HydrophobicContact CG2-CG2 4.45Å; V785-I800 PolarHBondContact N-O 3.46Å; I800-F802 HydrophobicContact CG2-CD2 4.14Å; I800-F802 HydrophobicContact CG2-CE2 3.78Å; I800-F802 HydrophobicContact CG2-CZ 4.32Å; I800-F829 HydrophobicContact CD1-CE2 4.31Å
801	A	40	Very low	36.6	Very low	11 Å²	11	75.2 Å²	75.2	9%	0.091	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.6	176.4	0	0	0	0	0	109	T782 L783 I799 H803 F814	T782-A801 HydrophobicContact CG2-CB 4.17Å; L783-A801 CarbonylContact O-C 3.56Å; L783-A801 WeakPolarHBondContact O-CA 3.46Å; I799-A801 PolarHBondContact O-N 3.36Å; A801-H803 WeakPolarHBondContact CB-NE2 3.29Å; A801-H803 PolarHBondContact O-CD2 3.36Å; A801-F814 PolarHBondContact N-O 2.87Å; A801-F814 PolarHBondContact O-N 2.91Å
802	F	42.3	Very low	37.2	Very low	63 Å²	63	70.4 Å²	70.4	28%	0.276	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.6	166.8	-58.7	-104.8	0	0	0	108.9	Y781 T782 L783 V785 I800 A813	Y781-F802 VanDerWaalsContact O-O 3.07Å; T782-F802 CarbonylContact C-O 3.58Å; T782-F802 WeakPolarHBondContact CA-O 3.33Å; L783-F802 HydrophobicContact CB-CB 4.13Å; L783-F802 HydrophobicContact CD1-CB 4.35Å; L783-F802 PolarHBondContact N-O 3.48Å; L783-F802 PolarHBondContact O-N 2.93Å; V785-F802 HydrophobicContact CG2-CD2 4.17Å; V785-F802 HydrophobicContact CG2-CE2 3.82Å; I800-F802 HydrophobicContact CG2-CD2 4.14Å; I800-F802 HydrophobicContact CG2-CE2 3.78Å; I800-F802 HydrophobicContact CG2-CZ 4.32Å; F802-A813 HydrophobicContact CD1-CB 3.79Å; F802-A813 HydrophobicContact CE1-CB 3.79Å; F802-A813 HydrophobicContact CG-CB 4.38Å; F802-A813 HydrophobicContact CZ-CB 4.38Å
803	H	44.8	Very low	37.7	Very low	1 Å²	1	65.6 Å²	65.6	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.4	176.7	-66.7	-92.5	0	0	0	109.6	C771 P775 C780 Y781 T782 A801 K812 F814	C771-H803 HydrophobicContact CB-CB 3.26Å; C771-H803 VanDerWaalsContact SG-C 3.53Å; C771-H803 WeakPolarHBondContact SG-CB 3.41Å; C771-H803 PolarHBondContact SG-O 2.88Å; P775-H803 WeakPolarHBondContact CB-CE1 3.41Å; P775-H803 WeakPolarHBondContact CB-NE2 3.01Å; P775-H803 PolarHBondContact O-CE1 2.95Å; P775-H803 PolarHBondContact O-ND1 2.8Å; C780-H803 HydrophobicContact CB-CB 4.28Å; Y781-H803 VanDerWaalsContact O-CA 3.28Å; Y781-H803 WeakPolarHBondContact O-CA 2.98Å; T782-H803 VanDerWaalsContact CG2-CE1 3.45Å; T782-H803 WeakPolarHBondContact CG2-CE1 2.98Å; T782-H803 PolarHBondContact OG1-CE1 2.96Å; T782-H803 PolarHBondContact OG1-ND1 2.94Å; A801-H803 WeakPolarHBondContact CB-NE2 3.29Å; A801-H803 PolarHBondContact O-CD2 3.36Å; H803-K812 PolarHBondContact N-O 3.2Å; H803-K812 PolarHBondContact O-N 2.99Å; H803-F814 HydrophobicContact CB-CD2 4.5Å; H803-F814 AromaticContact CD2-CD2 3.93Å
804	F	40.7	Very low	38.1	Very low	69 Å²	69	61.3 Å²	61.3	30%	0.303	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.2	176.5	174.9	-105.2	0	0	0	111.5	C780 Y781 M806 C811	C780-F804 WeakPolarHBondContact CA-O 3.46Å; Y781-F804 HydrophobicContact CD2-CD1 4.08Å; Y781-F804 PolarHBondContact N-O 2.71Å; Y781-F804 VanDerWaalsContact N-O 3.1Å; Y781-F804 PolarHBondContact O-N 3.49Å; F804-M806 HydrophobicContact CD1-CG 4.3Å; F804-M806 HydrophobicContact CE1-CG 3.78Å; F804-C811 HydrophobicContact CD2-CB 4.12Å
805	S	41.4	Very low	38.3	Very low	2 Å²	2	62.2 Å²	62.2	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	100.6	-175.3	174.8	0	0	0	0	111.3	Q769 S807 S808 A809 T810	Q769-S805 WeakPolarHBondContact O-CB 3.34Å; Q769-S805 PolarHBondContact O-OG 3.38Å; S805-S807 PolarHBondContact O-N 3.37Å; S805-S807 PolarHBondContact OG-OG 2.77Å; S805-S808 WeakPolarHBondContact CB-OG 3.4Å; S805-S808 PolarHBondContact O-N 2.87Å; S805-S808 PolarHBondContact O-OG 2.79Å; S805-S808 PolarHBondContact OG-OG 3.3Å; S805-A809 PolarHBondContact O-N 2.87Å; S805-T810 WeakPolarHBondContact CB-O 3.25Å; S805-T810 PolarHBondContact N-O 2.88Å
806	M	39.3	Very low	38.4	Very low	131 Å²	131	63.3 Å²	63.3	65%	0.645	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.8	177.8	-76.4	-176.4	74.7	0	0	113.5	Y781 F804	Y781-M806 HydrophobicContact CE2-CG 3.83Å; Y781-M806 HydrophobicContact CE2-SD 3.59Å; Y781-M806 VanDerWaalsContact CE2-SD 3.59Å; F804-M806 HydrophobicContact CD1-CG 4.3Å; F804-M806 HydrophobicContact CE1-CG 3.78Å
807	S	32.9	Very low	38.4	Very low	86 Å²	86	62 Å²	62	60%	0.601	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.9	-177.5	44.7	0	0	0	0	114.4	S805	S805-S807 PolarHBondContact O-N 3.37Å; S805-S807 PolarHBondContact OG-OG 2.77Å
808	S	38.6	Very low	38.3	Very low	40 Å²	40	60.1 Å²	60.1	28%	0.28	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-6.1	178.1	64.1	0	0	0	0	113.9	S805 T810	S805-S808 WeakPolarHBondContact CB-OG 3.4Å; S805-S808 PolarHBondContact O-N 2.87Å; S805-S808 PolarHBondContact O-OG 2.79Å; S805-S808 PolarHBondContact OG-OG 3.3Å; S808-T810 PolarHBondContact O-N 3.48Å; S808-T810 VanDerWaalsContact O-N 3.12Å; S808-T810 PolarHBondContact OG-N 2.02Å; S808-T810 PolarHBondContact OG-OG1 2.8Å
809	A	38	Very low	38.3	Very low	79 Å²	79	65.9 Å²	65.9	65%	0.653	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	19	-166.2	0	0	0	0	0	114.3	S805	S805-A809 PolarHBondContact O-N 2.87Å
810	T	40.4	Very low	38.1	Very low	43 Å²	43	64.2 Å²	64.2	26%	0.264	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.5	178.5	70.2	0	0	0	0	112.5	R770 S805 S808	R770-T810 HydrophobicContact CG-CG2 4.4Å; R770-T810 WeakPolarHBondContact CG-OG1 3.24Å; S805-T810 WeakPolarHBondContact CB-O 3.25Å; S805-T810 PolarHBondContact N-O 2.88Å; S808-T810 PolarHBondContact O-N 3.48Å; S808-T810 VanDerWaalsContact O-N 3.12Å; S808-T810 PolarHBondContact OG-N 2.02Å; S808-T810 PolarHBondContact OG-OG1 2.8Å
811	C	42.5	Very low	37.8	Very low	47 Å²	47	67.9 Å²	67.9	32%	0.318	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149.3	165.7	-159.8	0	0	0	0	109.6	F804	F804-C811 HydrophobicContact CD2-CB 4.12Å
812	K	43.1	Very low	37.4	Very low	61 Å²	61	70.5 Å²	70.5	27%	0.265	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	140.1	171.8	-159.7	-136.3	-160.8	167	0	112.4	D772 H803 F814	D772-K812 WeakPolarHBondContact OD1-CD 3.06Å; D772-K812 WeakPolarHBondContact OD1-CE 3.38Å; D772-K812 IonicContact OD1-NZ 3.05Å; D772-K812 PolarHBondContact OD1-NZ 2.82Å; D772-K812 IonicContact OD2-NZ 3.62Å; H803-K812 PolarHBondContact N-O 3.2Å; H803-K812 PolarHBondContact O-N 2.99Å; K812-F814 HydrophobicContact CB-CE2 4.08Å; K812-F814 HydrophobicContact CD-CD2 4.17Å; K812-F814 HydrophobicContact CD-CE1 4.19Å; K812-F814 HydrophobicContact CD-CE2 3.27Å; K812-F814 HydrophobicContact CD-CZ 3.26Å; K812-F814 HydrophobicContact CG-CE2 4.23Å
813	A	42.6	Very low	36.7	Very low	44 Å²	44	70.6 Å²	70.6	36%	0.364	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.5	169.9	0	0	0	0	0	112.6	F802	F802-A813 HydrophobicContact CD1-CB 3.79Å; F802-A813 HydrophobicContact CE1-CB 3.79Å; F802-A813 HydrophobicContact CG-CB 4.38Å; F802-A813 HydrophobicContact CZ-CB 4.38Å
814	F	38.3	Very low	36.1	Very low	33 Å²	33	75.9 Å²	75.9	15%	0.145	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.2	165.1	-72.9	-92	0	0	0	109.5	C771 D772 A801 H803 K812	C771-F814 VanDerWaalsContact C-CE2 3.44Å; C771-F814 HydrophobicContact CB-CD2 4.28Å; C771-F814 HydrophobicContact CB-CE2 3.64Å; C771-F814 HydrophobicContact CB-CZ 4.36Å; C771-F814 VanDerWaalsContact O-CE2 3.31Å; C771-F814 WeakPolarHBondContact O-CE2 3.3Å; C771-F814 WeakPolarHBondContact O-CZ 3.49Å; D772-F814 HydrophobicContact CB-CZ 4.38Å; D772-F814 VanDerWaalsContact N-CZ 3.3Å; D772-F814 WeakPolarHBondContact OD1-CZ 3.02Å; A801-F814 PolarHBondContact N-O 2.87Å; A801-F814 PolarHBondContact O-N 2.91Å; H803-F814 HydrophobicContact CB-CD2 4.5Å; H803-F814 AromaticContact CD2-CD2 3.93Å; K812-F814 HydrophobicContact CB-CE2 4.08Å; K812-F814 HydrophobicContact CD-CD2 4.17Å; K812-F814 HydrophobicContact CD-CE1 4.19Å; K812-F814 HydrophobicContact CD-CE2 3.27Å; K812-F814 HydrophobicContact CD-CZ 3.26Å; K812-F814 HydrophobicContact CG-CE2 4.23Å
815	H	36.3	Very low	35.4	Very low	108 Å²	108	80.5 Å²	80.5	50%	0.5	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.3	151.4	-83.6	-109.8	0	0	0	108	D798	D798-H815 IonicContact OD1-CE1 3.35Å; D798-H815 IonicContact OD1-CG 2.65Å; D798-H815 IonicContact OD1-ND1 2.96Å; D798-H815 PolarHBondContact OD1-ND1 2.78Å
816	L	33.1	Very low	34.8	Very low	94 Å²	94	86 Å²	86	49%	0.492	50%	0.497	S	S	.	.			trans	-125.7	96.1	162.8	-87	-173.3	0	0	0	112	P775	P775-L816 HydrophobicContact CG-CD1 3.42Å; P775-L816 VanDerWaalsContact CG-CD1 3.42Å; P775-L816 HydrophobicContact CG-CG 4.34Å
817	N	33.7	Very low	34.2	Very low	117 Å²	117	86.7 Å²	86.7	63%	0.626	50%	0.498	S	S	*	.			trans	64.7	107	151.2	-165.3	1.1	0	0	0	117.9	K819	N817-K819 PolarHBondContact OD1-N 2.82Å
818	T	31.3	Very low	33.9	Very low	41 Å²	41	88.4 Å²	88.4	25%	0.252	49%	0.493	S	S	.	.			trans	-107.2	114.8	153.5	54.5	0	0	0	0	111.6	K797 D798 R820	K797-T818 HydrophobicContact CB-CG2 4.26Å; K797-T818 HydrophobicContact CG-CG2 3.92Å; D798-T818 HydrophobicContact CB-CG2 4.07Å; D798-T818 WeakPolarHBondContact OD2-CG2 3.2Å; D798-T818 PolarHBondContact OD2-OG1 2.98Å; T818-R820 PolarHBondContact O-N 2.72Å
819	K	34.8	Very low	33.4	Very low	171 Å²	171	93.3 Å²	93.3	74%	0.743	51%	0.509	S	S	*	.			trans	-75.1	11.8	161.8	-62.1	-177.8	179.6	177.1	0	112.5	N817	N817-K819 PolarHBondContact OD1-N 2.82Å
820	R	32.4	Very low	33	Very low	68 Å²	68	93.6 Å²	93.6	26%	0.257	51%	0.505	S	S	.	.	S	Bend	trans	-106.4	114.1	-172	-149.1	-138.1	-54.8	-144.4	1.8	110.8	S794 S795 E796 K797 T818	S794-R820 PolarHBondContact O-NH1 3.1Å; S794-R820 PolarHBondContact O-NH2 3.1Å; S795-R820 VanDerWaalsContact C-NH2 3.33Å; S795-R820 WeakPolarHBondContact O-CD 3.37Å; S795-R820 WeakPolarHBondContact O-CG 3.46Å; S795-R820 PolarHBondContact O-NE 3.15Å; S795-R820 PolarHBondContact O-NH1 3.17Å; S795-R820 PolarHBondContact OG-NH1 3.37Å; E796-R820 VanDerWaalsContact C-NE 3.28Å; E796-R820 WeakPolarHBondContact O-CB 3.34Å; E796-R820 PolarHBondContact O-NE 3.08Å; K797-R820 VanDerWaalsContact CB-NH2 3.34Å; K797-R820 VanDerWaalsContact CD-NE 3.34Å; K797-R820 WeakPolarHBondContact CE-O 3.47Å; K797-R820 HydrophobicContact CG-CB 4.17Å; K797-R820 VanDerWaalsContact CG-NE 3.28Å; T818-R820 PolarHBondContact O-N 2.72Å
821	P	28	Very low	32.4	Very low	116 Å²	116	97.3 Å²	97.3	75%	0.753	52%	0.523	S	S	*	.	S	Bend	trans	-62.6	156.6	-178.6	24.1	-33.1	0	0	0	113	K797	K797-P821 WeakPolarHBondContact CE-O 3.09Å; K797-P821 PolarHBondContact NZ-O 3.19Å
822	G	31.4	Very low	31.8	Very low	67 Å²	67	96 Å²	96	69%	0.691	52%	0.517	S	S	*	.			trans	75.3	36.3	177.4	0	0	0	0	0	115	K797	K797-G822 PolarHBondContact NZ-O 3.43Å
823	C	27.2	Very low	31.3	Very low	65 Å²	65	100.8 Å²	100.8	44%	0.439	54%	0.535	S	S	.	.			trans	-85.1	100.8	149.8	-99.8	0	0	0	0	106.8	K797 D798	K797-C823 WeakPolarHBondContact CD-SG 3.36Å; K797-C823 WeakPolarHBondContact CE-SG 2.98Å; K797-C823 VanDerWaalsContact CG-SG 3.5Å; D798-C823 PolarHBondContact OD2-SG 2.76Å
824	S	31.9	Very low	30.8	Very low	112 Å²	112	102.9 Å²	102.9	78%	0.783	54%	0.54	S	S	*	.			trans	-71.5	158.6	170.9	48	0	0	0	0	110.2
825	M	26.6	Very low	30.4	Very low	166 Å²	166	105 Å²	105	82%	0.818	56%	0.558	S	S	*	*			trans	-69.8	179.3	163.5	-61.2	-144.1	-58.6	0	0	110.6
826	E	28.3	Very low	30.5	Very low	118 Å²	118	103.1 Å²	103.1	55%	0.551	55%	0.551	S	S	*	*			trans	87.5	146.2	167.5	-50.8	-178.9	159.4	0	0	117.2	N891	E826-N891 PolarHBondContact OE1-ND2 2.72Å
827	Q	27.9	Very low	30.7	Very low	144 Å²	144	104.5 Å²	104.5	67%	0.673	55%	0.55	S	S	*	.			trans	74	97.1	159.7	-68.2	178.9	20.4	0	0	120.2
828	Y	26.3	Very low	30.7	Very low	122 Å²	122	104 Å²	104	48%	0.478	54%	0.544	S	S	.	.			trans	63.2	114.4	142.6	-62.2	-80.3	0	0	0	121.8	P830 I895	Y828-P830 HydrophobicContact CD1-CB 4.49Å; Y828-I895 HydrophobicContact CE1-CB 4.26Å; Y828-I895 HydrophobicContact CE1-CD1 4.15Å; Y828-I895 HydrophobicContact CE1-CG1 4.46Å; Y828-I895 VanDerWaalsContact OH-CD1 3.31Å; Y828-I895 WeakPolarHBondContact OH-CD1 3.32Å; Y828-I895 WeakPolarHBondContact OH-CG1 3.12Å
829	F	27.5	Very low	30.8	Very low	144 Å²	144	105 Å²	105	63%	0.632	55%	0.552	S	S	*	*				-91.6	118.7	120.2	-90.9	-81	0	0	0	107.8	V785 I800 N831	V785-F829 HydrophobicContact CG1-CE1 4.24Å; V785-F829 HydrophobicContact CG1-CE2 4.24Å; V785-F829 HydrophobicContact CG1-CZ 3.61Å; I800-F829 HydrophobicContact CD1-CE2 4.31Å; F829-N831 VanDerWaalsContact C-N 3.28Å; F829-N831 PolarHBondContact O-N 2.71Å; F829-N831 VanDerWaalsContact O-N 3.16Å
830	P	30	Very low	30.9	Very low	85 Å²	85	101.6 Å²	101.6	55%	0.552	55%	0.545	S	S	*	.	S	Bend	trans	-77.8	3.4	-166.1	-14.7	29.1	0	0	0	116.9	Y828	Y828-P830 HydrophobicContact CD1-CB 4.49Å
831	N	27.2	Very low	30.9	Very low	121 Å²	121	103 Å²	103	65%	0.647	55%	0.553	S	S	*	*			trans	-148	61.5	-170.1	-57.4	101.7	0	0	0	111.5	F829 Y833	F829-N831 VanDerWaalsContact C-N 3.28Å; F829-N831 PolarHBondContact O-N 2.71Å; F829-N831 VanDerWaalsContact O-N 3.16Å; N831-Y833 PolarHBondContact O-N 2.81Å; N831-Y833 VanDerWaalsContact O-N 3.09Å
832	G	30.6	Very low	30.9	Very low	20 Å²	20	101.1 Å²	101.1	21%	0.206	54%	0.543	C	S	.	.	H	α-helix	trans	-58.1	-24.2	175	0	0	0	0	0	112.8	D834 C835 L836 E897	G832-D834 PolarHBondContact O-N 3.48Å; G832-C835 PolarHBondContact O-N 3.22Å; G832-C835 VanDerWaalsContact O-N 3.13Å; G832-L836 WeakPolarHBondContact O-CB 3.43Å; G832-L836 PolarHBondContact O-N 3.2Å; G832-E897 VanDerWaalsContact CA-OE2 3.25Å; G832-E897 WeakPolarHBondContact CA-OE2 3.44Å; G832-E897 PolarHBondContact N-OE2 3.04Å
833	Y	31.7	Very low	30.7	Very low	161 Å²	161	100.5 Å²	100.5	63%	0.631	53%	0.528	S	S	*	.	H	α-helix	trans	-43.3	-46.1	179	-124.6	-90.6	0	0	0	116.2	N831 R837	N831-Y833 PolarHBondContact O-N 2.81Å; N831-Y833 VanDerWaalsContact O-N 3.09Å; Y833-R837 VanDerWaalsContact O-CB 3.31Å; Y833-R837 WeakPolarHBondContact O-CB 3.16Å; Y833-R837 VanDerWaalsContact O-CG 3.25Å; Y833-R837 WeakPolarHBondContact O-CG 3.43Å; Y833-R837 PolarHBondContact O-N 2.82Å
834	D	31.8	Very low	30.7	Very low	88 Å²	88	101 Å²	101	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-82.6	-29.1	-178	-84.7	-44.7	0	0	0	113.1	G832 R837 E838	G832-D834 PolarHBondContact O-N 3.48Å; D834-R837 WeakPolarHBondContact O-CB 3.31Å; D834-R837 PolarHBondContact O-N 3.28Å; D834-R837 WeakPolarHBondContact OD1-CD 3.13Å; D834-R837 IonicContact OD1-CZ 2.82Å; D834-R837 IonicContact OD1-NE 3.33Å; D834-R837 IonicContact OD1-NH1 3.58Å; D834-R837 PolarHBondContact OD1-NH1 3.23Å; D834-R837 IonicContact OD2-NH1 3.91Å; D834-E838 PolarHBondContact O-N 3.08Å
835	C	30.9	Very low	30.6	Very low	77 Å²	77	96.9 Å²	96.9	52%	0.52	50%	0.499	S	S	.	.	H	α-helix	trans	-69.9	-41	170.8	-170.5	0	0	0	0	111.4	G832 C839	G832-C835 PolarHBondContact O-N 3.22Å; G832-C835 VanDerWaalsContact O-N 3.13Å; C835-C839 WeakPolarHBondContact O-CB 3.5Å; C835-C839 PolarHBondContact O-N 3.21Å; C835-C839 VanDerWaalsContact O-N 3.11Å
836	L	37.7	Very low	30.6	Very low	68 Å²	68	95.7 Å²	95.7	36%	0.356	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-43.3	171.2	-81.3	162.4	0	0	0	111	G832 E838 C839 V840	G832-L836 WeakPolarHBondContact O-CB 3.43Å; G832-L836 PolarHBondContact O-N 3.2Å; L836-E838 PolarHBondContact O-N 2.03Å; L836-C839 PolarHBondContact O-N 2.88Å; L836-V840 WeakPolarHBondContact O-CB 3.38Å; L836-V840 VanDerWaalsContact O-CG2 3.27Å; L836-V840 WeakPolarHBondContact O-CG2 3.48Å; L836-V840 PolarHBondContact O-N 2.92Å
837	R	37.1	Very low	30.9	Very low	124 Å²	124	92.3 Å²	92.3	47%	0.468	48%	0.475	S	S	.	.	H	α-helix	trans	-56	-48.8	174.4	-89.6	166.2	161	-178.8	3.3	113	Y833 D834 V840 K841	Y833-R837 VanDerWaalsContact O-CB 3.31Å; Y833-R837 WeakPolarHBondContact O-CB 3.16Å; Y833-R837 VanDerWaalsContact O-CG 3.25Å; Y833-R837 WeakPolarHBondContact O-CG 3.43Å; Y833-R837 PolarHBondContact O-N 2.82Å; D834-R837 WeakPolarHBondContact O-CB 3.31Å; D834-R837 PolarHBondContact O-N 3.28Å; D834-R837 WeakPolarHBondContact OD1-CD 3.13Å; D834-R837 IonicContact OD1-CZ 2.82Å; D834-R837 IonicContact OD1-NE 3.33Å; D834-R837 IonicContact OD1-NH1 3.58Å; D834-R837 PolarHBondContact OD1-NH1 3.23Å; D834-R837 IonicContact OD2-NH1 3.91Å; R837-V840 PolarHBondContact O-N 3.44Å; R837-K841 WeakPolarHBondContact O-CB 3.37Å; R837-K841 WeakPolarHBondContact O-CD 3.43Å; R837-K841 WeakPolarHBondContact O-CG 3.08Å; R837-K841 PolarHBondContact O-N 3.19Å
838	E	34.5	Very low	31.4	Very low	106 Å²	106	88.3 Å²	88.3	50%	0.495	46%	0.457	S	S	.	.	H	α-helix	trans	-68.2	-37.3	179.4	-65.9	-50.9	134.6	0	0	112	D834 L836 V840 K841 S842	D834-E838 PolarHBondContact O-N 3.08Å; L836-E838 PolarHBondContact O-N 2.03Å; E838-V840 VanDerWaalsContact C-N 3.31Å; E838-V840 PolarHBondContact O-N 3.45Å; E838-K841 PolarHBondContact O-N 3.49Å; E838-K841 WeakPolarHBondContact OE1-CD 3.35Å; E838-K841 IonicContact OE1-NZ 2.95Å; E838-K841 PolarHBondContact OE1-NZ 3.24Å; E838-S842 WeakPolarHBondContact O-CB 3.17Å; E838-S842 PolarHBondContact O-N 3.27Å; E838-S842 PolarHBondContact O-OG 3.35Å
839	C	33.9	Very low	31.9	Very low	63 Å²	63	83.1 Å²	83.1	43%	0.426	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-37.3	173.6	-156.2	0	0	0	0	112.2	C835 L836 S842	C835-C839 WeakPolarHBondContact O-CB 3.5Å; C835-C839 PolarHBondContact O-N 3.21Å; C835-C839 VanDerWaalsContact O-N 3.11Å; L836-C839 PolarHBondContact O-N 2.88Å; C839-S842 PolarHBondContact O-OG 3.36Å
840	V	35.7	Very low	32.4	Very low	99 Å²	99	79 Å²	79	60%	0.6	42%	0.419	S	S	*	.	H	α-helix	trans	-75.6	-33.6	175.9	169.4	0	0	0	0	112.8	L836 R837 E838 S842 S843	L836-V840 WeakPolarHBondContact O-CB 3.38Å; L836-V840 VanDerWaalsContact O-CG2 3.27Å; L836-V840 WeakPolarHBondContact O-CG2 3.48Å; L836-V840 PolarHBondContact O-N 2.92Å; R837-V840 PolarHBondContact O-N 3.44Å; E838-V840 VanDerWaalsContact C-N 3.31Å; E838-V840 PolarHBondContact O-N 3.45Å; V840-S842 VanDerWaalsContact C-N 3.29Å; V840-S842 PolarHBondContact O-N 2.81Å; V840-S843 PolarHBondContact O-OG 2.89Å
841	K	32.5	Very low	32.9	Very low	96 Å²	96	79.4 Å²	79.4	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-69.6	-26.2	174.3	-71.8	161	-164.5	170.2	0	112.7	R837 E838 S843	R837-K841 WeakPolarHBondContact O-CB 3.37Å; R837-K841 WeakPolarHBondContact O-CD 3.43Å; R837-K841 WeakPolarHBondContact O-CG 3.08Å; R837-K841 PolarHBondContact O-N 3.19Å; E838-K841 PolarHBondContact O-N 3.49Å; E838-K841 WeakPolarHBondContact OE1-CD 3.35Å; E838-K841 IonicContact OE1-NZ 2.95Å; E838-K841 PolarHBondContact OE1-NZ 3.24Å; K841-S843 VanDerWaalsContact C-N 3.25Å; K841-S843 PolarHBondContact O-N 2.97Å
842	S	27.8	Very low	33.8	Very low	77 Å²	77	78.9 Å²	78.9	54%	0.538	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.3	-179.5	69.7	0	0	0	0	114.8	E838 C839 V840	E838-S842 WeakPolarHBondContact O-CB 3.17Å; E838-S842 PolarHBondContact O-N 3.27Å; E838-S842 PolarHBondContact O-OG 3.35Å; C839-S842 PolarHBondContact O-OG 3.36Å; V840-S842 VanDerWaalsContact C-N 3.29Å; V840-S842 PolarHBondContact O-N 2.81Å
843	S	27.5	Very low	34.9	Very low	54 Å²	54	78 Å²	78	38%	0.378	40%	0.396	S	S	.	.	S	Bend	trans	-97.8	113.9	169.2	56	0	0	0	0	112	V840 K841 N845	V840-S843 PolarHBondContact O-OG 2.89Å; K841-S843 VanDerWaalsContact C-N 3.25Å; K841-S843 PolarHBondContact O-N 2.97Å; S843-N845 PolarHBondContact O-N 2.8Å; S843-N845 VanDerWaalsContact O-N 3.08Å
844	P	27.5	Very low	35.4	Very low	76 Å²	76	76.7 Å²	76.7	49%	0.494	40%	0.395	S	S	.	.			trans	-70.7	104.1	-175.7	-22.4	35.4	0	0	0	115.1
845	N	28.8	Very low	35.5	Very low	25 Å²	25	74.4 Å²	74.4	13%	0.134	39%	0.388	C	S	.	.			trans	62.4	91.4	148.1	-60.4	-51.9	0	0	0	120.2	W370 V676 S843 K847	W370-N845 WeakPolarHBondContact CH2-ND2 3.43Å; W370-N845 WeakPolarHBondContact CH2-OD1 3.16Å; W370-N845 WeakPolarHBondContact CZ2-ND2 3.21Å; W370-N845 WeakPolarHBondContact CZ2-OD1 3.22Å; V676-N845 HydrophobicContact CB-CB 4.28Å; V676-N845 HydrophobicContact CG1-CB 3.66Å; V676-N845 HydrophobicContact CG2-CB 3.63Å; S843-N845 PolarHBondContact O-N 2.8Å; S843-N845 VanDerWaalsContact O-N 3.08Å; N845-K847 VanDerWaalsContact C-N 3.26Å; N845-K847 PolarHBondContact O-N 3.24Å
846	E	28	Very low	35.6	Very low	141 Å²	141	74.6 Å²	74.6	66%	0.659	38%	0.377	S	S	*	.	S	Bend	trans	57.9	-7.9	133.9	-61.3	-175.6	131.2	0	0	121.4	H672 N673	H672-E846 IonicContact CE1-OE2 3.9Å; N673-E846 PolarHBondContact ND2-OE2 2.75Å
847	K	33.9	Very low	35.3	Very low	48 Å²	48	75.9 Å²	75.9	21%	0.209	38%	0.38	C	S	.	.			trans	-119.3	12.9	-172.1	-60.3	-168.4	-173.4	-56.9	0	115	V676 N845 Q923	V676-K847 HydrophobicContact CG1-CD 4.43Å; N845-K847 VanDerWaalsContact C-N 3.26Å; N845-K847 PolarHBondContact O-N 3.24Å; K847-Q923 HydrophobicContact CB-CB 4.39Å
848	H	37.8	Very low	34.9	Very low	60 Å²	60	75.2 Å²	75.2	28%	0.278	39%	0.39	S	S	.	.			trans	-129.3	89.1	-171.9	-66.2	-108.6	0	0	0	110.2	Q850 N851 P925	H848-Q850 PolarHBondContact O-N 3.05Å; H848-Q850 VanDerWaalsContact O-N 3.14Å; H848-N851 PolarHBondContact O-N 3.08Å; H848-N851 VanDerWaalsContact O-N 3.11Å; H848-P925 WeakPolarHBondContact ND1-CD 3.21Å
849	L	38.1	Very low	34.6	Very low	12 Å²	12	76.2 Å²	76.2	6%	0.063	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-50.4	-40	-174.8	-90.8	156.7	0	0	0	113.7	N851 R852 M914 A915 E920 L924	L849-N851 PolarHBondContact O-N 2.93Å; L849-N851 VanDerWaalsContact O-N 3.12Å; L849-R852 PolarHBondContact O-N 2.82Å; L849-M914 WeakPolarHBondContact CD2-O 3.29Å; L849-A915 HydrophobicContact CD1-CB 3.52Å; L849-E920 HydrophobicContact CD1-CB 4Å; L849-L924 HydrophobicContact CB-CD2 3.69Å; L849-L924 HydrophobicContact CD1-CD1 4.03Å; L849-L924 HydrophobicContact CD1-CD2 3.95Å; L849-L924 HydrophobicContact CD1-CG 4.34Å; L849-L924 HydrophobicContact CG-CD2 4.05Å
850	Q	37.7	Very low	34.6	Very low	57 Å²	57	77.8 Å²	77.8	27%	0.266	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-53.8	-34.3	-178.9	-77.4	160.9	-50.1	0	0	113.3	H848 R852 F854 D927	H848-Q850 PolarHBondContact O-N 3.05Å; H848-Q850 VanDerWaalsContact O-N 3.14Å; Q850-R852 VanDerWaalsContact C-N 3.35Å; Q850-R852 PolarHBondContact O-N 2.81Å; Q850-F854 HydrophobicContact CB-CE2 4.2Å; Q850-F854 WeakPolarHBondContact O-CD2 3.41Å; Q850-F854 WeakPolarHBondContact O-CE2 3.47Å; Q850-D927 PolarHBondContact NE2-OD2 3.27Å
851	N	40	Very low	34.4	Very low	95 Å²	95	80.4 Å²	80.4	51%	0.508	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-79.8	-11.2	-173.9	-70.8	-2.8	0	0	0	114.6	H848 L849 C853	H848-N851 PolarHBondContact O-N 3.08Å; H848-N851 VanDerWaalsContact O-N 3.11Å; L849-N851 PolarHBondContact O-N 2.93Å; L849-N851 VanDerWaalsContact O-N 3.12Å; N851-C853 PolarHBondContact O-N 2.69Å
852	R	46.8	Very low	34.6	Very low	110 Å²	110	82.8 Å²	82.8	42%	0.415	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-72.4	-12.8	-177.4	-74.1	162.8	123.8	178.7	9.8	113.6	L849 Q850 T912 E920	L849-R852 PolarHBondContact O-N 2.82Å; Q850-R852 VanDerWaalsContact C-N 3.35Å; Q850-R852 PolarHBondContact O-N 2.81Å; R852-T912 HydrophobicContact CB-CG2 4.12Å; R852-T912 VanDerWaalsContact CB-O 3.25Å; R852-T912 WeakPolarHBondContact CB-O 2.98Å; R852-T912 WeakPolarHBondContact CD-O 3.35Å; R852-T912 PolarHBondContact NE-O 2.9Å; R852-E920 IonicContact CZ-OE1 2.98Å; R852-E920 IonicContact NH1-OE1 3.86Å; R852-E920 PolarHBondContact NH1-OE1 3.34Å; R852-E920 IonicContact NH2-OE1 3.69Å
853	C	52.5	Low	35.3	Very low	0 Å²	0	86.3 Å²	86.3	0%	0	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-139.9	20.3	-157.2	-45.3	0	0	0	0	114.8	N851 A855 Y876 N901 C913	N851-C853 PolarHBondContact O-N 2.69Å; C853-A855 PolarHBondContact O-N 2.84Å; C853-Y876 HydrophobicContact CB-CD1 3.48Å; C853-Y876 VanDerWaalsContact CB-CD1 3.48Å; C853-Y876 HydrophobicContact CB-CE1 4.23Å; C853-Y876 HydrophobicContact CB-CG 4.14Å; C853-N901 VanDerWaalsContact O-CB 3.27Å; C853-N901 WeakPolarHBondContact O-CB 3.15Å; C853-N901 PolarHBondContact O-ND2 2.03Å; C853-N901 PolarHBondContact O-OD1 3Å; C853-C913 HydrophobicContact CB-CB 4.12Å; C853-C913 WeakPolarHBondContact CB-SG 3.3Å; C853-C913 WeakPolarHBondContact SG-CA 3.47Å; C853-C913 WeakPolarHBondContact SG-CB 3.43Å; C853-C913 CovalentContact SG-SG 2.02Å; C853-C913 PolarHBondContact SG-SG 2.93Å
854	F	43.1	Very low	36.3	Very low	135 Å²	135	85.9 Å²	85.9	59%	0.592	43%	0.427	S	S	*	.			trans	-96.5	94.1	-178.7	-81.7	-60.2	0	0	0	113.3	Q850 P878	Q850-F854 HydrophobicContact CB-CE2 4.2Å; Q850-F854 WeakPolarHBondContact O-CD2 3.41Å; Q850-F854 WeakPolarHBondContact O-CE2 3.47Å; F854-P878 HydrophobicContact CE1-CG 3.85Å; F854-P878 HydrophobicContact CZ-CG 4.15Å
855	A	34.3	Very low	37.6	Very low	39 Å²	39	86.6 Å²	86.6	32%	0.322	43%	0.43	S	S	.	.			trans	-130.1	157.6	151.4	0	0	0	0	0	109.2	C853 P899 N901	C853-A855 PolarHBondContact O-N 2.84Å; A855-P899 WeakPolarHBondContact CB-O 3.33Å; A855-N901 HydrophobicContact CB-CB 3.81Å
856	R	33.2	Very low	38.8	Very low	81 Å²	81	93.9 Å²	93.9	31%	0.306	47%	0.47	S	S	.	.			trans	-82.6	144.4	-161	-63	174	173.7	-143.3	10.5	113.7	D772 T858	D772-R856 VanDerWaalsContact CG-NH1 3.3Å; D772-R856 IonicContact OD1-CZ 2.79Å; D772-R856 IonicContact OD1-NH1 3.32Å; D772-R856 PolarHBondContact OD1-NH1 2.94Å; D772-R856 IonicContact OD1-NH2 3.3Å; D772-R856 PolarHBondContact OD1-NH2 3.17Å; D772-R856 IonicContact OD2-CZ 3.95Å; D772-R856 IonicContact OD2-NH1 2.67Å; D772-R856 PolarHBondContact OD2-NH1 3.14Å; D772-R856 IonicContact OD2-NH2 2.7Å; R856-T858 PolarHBondContact O-N 2.84Å; R856-T858 VanDerWaalsContact O-N 3.11Å
857	K	30.3	Very low	40.1	Very low	96 Å²	96	94.1 Å²	94.1	42%	0.417	47%	0.47	S	S	.	.			trans	-53.2	110.5	154.5	-75.9	170.5	169.3	166.2	0	111.1	H859 E879	K857-H859 PolarHBondContact O-N 2.82Å; K857-E879 IonicContact NZ-OE1 2.7Å; K857-E879 PolarHBondContact NZ-OE1 2.76Å; K857-E879 IonicContact NZ-OE2 3.63Å
858	T	29.8	Very low	41.3	Very low	109 Å²	109	92.7 Å²	92.7	67%	0.669	47%	0.467	S	S	*	.			trans	-86.4	85.3	170.5	37.1	0	0	0	0	110.5	R856 V860	R856-T858 PolarHBondContact O-N 2.84Å; R856-T858 VanDerWaalsContact O-N 3.11Å; T858-V860 PolarHBondContact O-N 2.81Å
859	H	27.9	Very low	42.3	Very low	127 Å²	127	93.8 Å²	93.8	59%	0.588	48%	0.477	S	S	*	.			trans	-76.8	56	175.4	-75.4	-82.9	0	0	0	113	K857	K857-H859 PolarHBondContact O-N 2.82Å
860	V	33.2	Very low	43.2	Very low	96 Å²	96	97.6 Å²	97.6	58%	0.582	49%	0.493	S	S	*	.			trans	-108.3	135.5	171.1	-175	0	0	0	0	107.6	T858 W862	T858-V860 PolarHBondContact O-N 2.81Å; V860-W862 PolarHBondContact O-N 2.82Å
861	L	32.4	Very low	44.1	Very low	155 Å²	155	96.7 Å²	96.7	81%	0.812	49%	0.492	S	S	*	.			trans	-75.1	108.9	172.4	-71.4	86.8	0	0	0	108.3
862	W	37	Very low	45.2	Very low	145 Å²	145	96.9 Å²	96.9	55%	0.549	49%	0.486	S	S	.	.			trans	-95.7	99.2	175.3	-73.7	30.8	0	0	0	108.8	V860 E888 C889	V860-W862 PolarHBondContact O-N 2.82Å; W862-E888 HydrophobicContact CZ3-CB 4.48Å; W862-C889 HydrophobicContact CE3-CB 3.71Å; W862-C889 HydrophobicContact CZ3-CB 4.19Å; W862-C889 WeakPolarHBondContact CZ3-O 3.18Å
863	N	42.3	Very low	45.9	Very low	151 Å²	151	93.1 Å²	93.1	81%	0.807	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-71.7	122.3	146.5	-83.9	18.6	0	0	0	105.9	T865	N863-T865 PolarHBondContact O-N 2.89Å
864	C	48.3	Very low	46.7	Very low	45 Å²	45	96 Å²	96	30%	0.304	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-61.8	132.6	165.1	-56.7	0	0	0	0	107.7	S868 C889	C864-S868 VanDerWaalsContact CA-OG 3.29Å; C864-S868 WeakPolarHBondContact CA-OG 3.26Å; C864-S868 VanDerWaalsContact CB-OG 3.23Å; C864-S868 WeakPolarHBondContact CB-OG 3.24Å; C864-C889 WeakPolarHBondContact CA-SG 3.48Å; C864-C889 HydrophobicContact CB-CB 3.77Å; C864-C889 WeakPolarHBondContact CB-SG 3.38Å; C864-C889 PolarHBondContact N-SG 3.38Å; C864-C889 VanDerWaalsContact N-SG 3.44Å; C864-C889 WeakPolarHBondContact SG-CB 3.02Å; C864-C889 CovalentContact SG-SG 2.05Å; C864-C889 PolarHBondContact SG-SG 3.28Å
865	T	53.4	Low	47.5	Very low	91 Å²	91	89.7 Å²	89.7	56%	0.558	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-68.7	158.5	164.7	46.6	0	0	0	0	109.2	N863 Q867 S868	N863-T865 PolarHBondContact O-N 2.89Å; T865-Q867 PolarHBondContact O-N 2.79Å; T865-S868 PolarHBondContact N-OG 3.5Å; T865-S868 PolarHBondContact O-N 3.09Å; T865-S868 PolarHBondContact O-OG 2.83Å; T865-S868 PolarHBondContact OG1-OG 3.24Å
866	D	55.1	Low	48.7	Very low	179 Å²	179	88.6 Å²	88.6	96%	0.957	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-15.7	-174.6	-55.5	-52.5	0	0	0	114.4
867	Q	55.4	Low	49.5	Very low	145 Å²	145	85.7 Å²	85.7	68%	0.678	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.8	176.7	-65.2	171	-45.7	0	0	113.8	T865 N891 P892	T865-Q867 PolarHBondContact O-N 2.79Å; Q867-N891 PolarHBondContact O-OD1 3.49Å; Q867-P892 WeakPolarHBondContact O-CD 3.23Å
868	S	59	Low	50.2	Low	18 Å²	18	83 Å²	83	13%	0.126	43%	0.426	C	S	.	.			trans	-114.5	120.7	-172.8	64.6	0	0	0	0	113	C864 T865 N891	C864-S868 VanDerWaalsContact CA-OG 3.29Å; C864-S868 WeakPolarHBondContact CA-OG 3.26Å; C864-S868 VanDerWaalsContact CB-OG 3.23Å; C864-S868 WeakPolarHBondContact CB-OG 3.24Å; T865-S868 PolarHBondContact N-OG 3.5Å; T865-S868 PolarHBondContact O-N 3.09Å; T865-S868 PolarHBondContact O-OG 2.83Å; T865-S868 PolarHBondContact OG1-OG 3.24Å; S868-N891 VanDerWaalsContact CB-OD1 3.3Å; S868-N891 WeakPolarHBondContact CB-OD1 3.47Å
869	V	59.1	Low	50.6	Low	83 Å²	83	80.8 Å²	80.8	50%	0.503	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.1	179.6	179.9	0	0	0	0	109.8	T871 T890	V869-T871 PolarHBondContact O-N 2.83Å; V869-T890 PolarHBondContact N-O 2.86Å; V869-T890 PolarHBondContact O-N 3.33Å; V869-T890 PolarHBondContact O-OG1 3.07Å; V869-T890 VanDerWaalsContact O-OG1 3.11Å
870	K	56.7	Low	51.4	Low	92 Å²	92	77 Å²	77	40%	0.4	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	105.2	180	-169.1	173.7	-175.6	173.1	0	111.3	S887 E888	K870-S887 WeakPolarHBondContact CE-OG 3.38Å; K870-E888 CarbonylContact C-O 3.47Å; K870-E888 WeakPolarHBondContact CA-O 3.4Å
871	T	57.1	Low	52.2	Low	38 Å²	38	74.8 Å²	74.8	23%	0.233	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	165.1	177.7	47.4	0	0	0	0	111.6	V869 S887 E888 T890 I896	V869-T871 PolarHBondContact O-N 2.83Å; T871-S887 CarbonylContact O-C 3.58Å; T871-S887 VanDerWaalsContact O-CA 3.24Å; T871-S887 WeakPolarHBondContact O-CA 3Å; T871-E888 PolarHBondContact N-O 2.89Å; T871-E888 PolarHBondContact O-N 3.48Å; T871-E888 VanDerWaalsContact OG1-CG 3.25Å; T871-E888 WeakPolarHBondContact OG1-CG 3.02Å; T871-T890 VanDerWaalsContact CG2-OG1 3.31Å; T871-T890 WeakPolarHBondContact CG2-OG1 3.36Å; T871-T890 WeakPolarHBondContact OG1-CG2 3.43Å; T871-T890 PolarHBondContact OG1-OG1 2.92Å; T871-I896 HydrophobicContact CG2-CD1 4.44Å
872	Y	61.5	Low	53	Low	100 Å²	100	68.2 Å²	68.2	39%	0.392	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.9	-175.7	-63.6	-82	0	0	0	111.8	R885 F886	Y872-R885 HydrophobicContact CD1-CG 4.26Å; Y872-F886 WeakPolarHBondContact CA-O 3.42Å
873	R	62.8	Low	54.2	Low	30 Å²	30	61.4 Å²	61.4	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159.7	176.1	-62.4	-64.2	178.8	171.2	-2.6	110.7	R885 F886 E888 N902 F903	R873-R885 CarbonylContact O-C 3.27Å; R873-R885 VanDerWaalsContact O-CA 3.24Å; R873-R885 WeakPolarHBondContact O-CA 3.18Å; R873-R885 WeakPolarHBondContact O-CG 3.21Å; R873-F886 PolarHBondContact N-O 3.38Å; R873-F886 PolarHBondContact O-N 3.32Å; R873-E888 HydrophobicContact CG-CG 4.47Å; R873-E888 WeakPolarHBondContact CG-OE1 3.05Å; R873-E888 IonicContact CZ-OE1 3.85Å; R873-E888 IonicContact NE-OE1 2.9Å; R873-E888 PolarHBondContact NE-OE1 3.49Å; R873-E888 IonicContact NH2-OE1 3.2Å; R873-E888 PolarHBondContact NH2-OE1 2.86Å; R873-N902 HydrophobicContact CB-CB 4.19Å; R873-N902 HydrophobicContact CG-CB 4.2Å; R873-F903 CarbonylContact C-O 3.56Å; R873-F903 WeakPolarHBondContact CA-O 3.38Å
874	W	69.4	Low	54.9	Low	60 Å²	60	54.9 Å²	54.9	23%	0.227	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139	169.5	-68.5	81.5	0	0	0	109.9	C883 V884 R885 N902 F903 R906 C909	W874-C883 HydrophobicContact CE3-CB 4.26Å; W874-V884 CarbonylContact C-O 3.46Å; W874-V884 WeakPolarHBondContact CA-O 3.47Å; W874-R885 HydrophobicContact CD2-CB 4.25Å; W874-R885 HydrophobicContact CE3-CB 4.36Å; W874-R885 HydrophobicContact CH2-CB 4.37Å; W874-R885 HydrophobicContact CZ2-CB 4.26Å; W874-R885 HydrophobicContact CZ3-CB 4.42Å; W874-N902 CarbonylContact O-C 3.46Å; W874-N902 WeakPolarHBondContact O-CA 3.42Å; W874-F903 HydrophobicContact CB-CB 4.35Å; W874-F903 PolarHBondContact N-O 2.83Å; W874-F903 VanDerWaalsContact O-CD2 3.26Å; W874-F903 WeakPolarHBondContact O-CD2 3.47Å; W874-F903 PolarHBondContact O-N 2.92Å; W874-R906 HydrophobicContact CD2-CB 3.72Å; W874-R906 HydrophobicContact CD2-CG 4.34Å; W874-R906 HydrophobicContact CE3-CB 3.78Å; W874-R906 HydrophobicContact CE3-CG 3.88Å; W874-R906 HydrophobicContact CG-CB 4.4Å; W874-R906 HydrophobicContact CH2-CB 3.89Å; W874-R906 HydrophobicContact CH2-CG 4.08Å; W874-R906 HydrophobicContact CZ2-CB 3.82Å; W874-R906 HydrophobicContact CZ3-CB 3.86Å; W874-R906 HydrophobicContact CZ3-CG 3.73Å; W874-C909 HydrophobicContact CB-CB 3.88Å
875	S	59.6	Low	55.6	Low	4 Å²	4	59 Å²	59	3%	0.028	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.3	-179.4	-49.6	0	0	0	0	109.5	L877 V884 F886 N901 N902	S875-L877 PolarHBondContact O-N 2.84Å; S875-V884 PolarHBondContact N-O 2.75Å; S875-V884 PolarHBondContact O-N 2.88Å; S875-F886 VanDerWaalsContact CB-CD2 3.5Å; S875-F886 VanDerWaalsContact OG-CD2 3.3Å; S875-F886 WeakPolarHBondContact OG-CD2 3.38Å; S875-N901 WeakPolarHBondContact CA-O 3.37Å; S875-N901 WeakPolarHBondContact CB-O 3.43Å; S875-N901 PolarHBondContact OG-O 3.5Å; S875-N902 PolarHBondContact OG-OD1 2.77Å
876	Y	59.7	Low	55.7	Low	15 Å²	15	58.1 Å²	58.1	6%	0.059	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	115.5	172.4	171.1	-96.6	0	0	0	109.1	C853 P878 N881 Q882 N901 C909 C913 M914	C853-Y876 HydrophobicContact CB-CD1 3.48Å; C853-Y876 VanDerWaalsContact CB-CD1 3.48Å; C853-Y876 HydrophobicContact CB-CE1 4.23Å; C853-Y876 HydrophobicContact CB-CG 4.14Å; Y876-P878 HydrophobicContact CD1-CB 4.41Å; Y876-P878 HydrophobicContact CD1-CG 3.92Å; Y876-P878 HydrophobicContact CE1-CB 3.83Å; Y876-P878 HydrophobicContact CE1-CG 3.8Å; Y876-P878 VanDerWaalsContact O-CD 3.3Å; Y876-P878 WeakPolarHBondContact O-CD 3.47Å; Y876-N881 HydrophobicContact CE2-CB 4.46Å; Y876-N881 WeakPolarHBondContact CE2-OD1 3.28Å; Y876-N881 PolarHBondContact OH-OD1 2.85Å; Y876-Q882 CarbonylContact C-O 3.46Å; Y876-Q882 WeakPolarHBondContact CA-O 3.33Å; Y876-N901 PolarHBondContact N-OD1 3.13Å; Y876-N901 PolarHBondContact O-ND2 3.02Å; Y876-N901 PolarHBondContact O-OD1 2.82Å; Y876-C909 PolarHBondContact N-SG 3.01Å; Y876-C909 VanDerWaalsContact N-SG 3.38Å; Y876-C913 VanDerWaalsContact CB-CB 3.46Å; Y876-C913 WeakPolarHBondContact CB-SG 3.34Å; Y876-C913 HydrophobicContact CD1-CB 3.95Å; Y876-C913 HydrophobicContact CD2-CB 3.46Å; Y876-C913 VanDerWaalsContact CD2-CB 3.46Å; Y876-C913 HydrophobicContact CE1-CB 4.48Å; Y876-C913 HydrophobicContact CE2-CB 4.07Å; Y876-C913 HydrophobicContact CG-CB 3.38Å; Y876-M914 HydrophobicContact CE2-CG 4.42Å
877	L	49.5	Very low	55.6	Low	21 Å²	21	52.6 Å²	52.6	11%	0.11	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	109.8	169.6	-71.1	-171.7	0	0	0	108.5	S875 E879 I880 N881 Q882 V884 F886	S875-L877 PolarHBondContact O-N 2.84Å; L877-E879 PolarHBondContact O-N 3.04Å; L877-E879 VanDerWaalsContact O-N 3.16Å; L877-I880 HydrophobicContact CB-CD1 4.13Å; L877-I880 HydrophobicContact CB-CG1 3.65Å; L877-I880 HydrophobicContact CD1-CD1 4.11Å; L877-I880 HydrophobicContact CD1-CG1 4.44Å; L877-I880 PolarHBondContact O-N 3.28Å; L877-N881 PolarHBondContact O-N 3.22Å; L877-Q882 PolarHBondContact N-O 2.81Å; L877-Q882 PolarHBondContact O-N 3.28Å; L877-V884 HydrophobicContact CB-CG2 4.25Å; L877-V884 HydrophobicContact CD1-CG2 3.94Å; L877-V884 HydrophobicContact CG-CG2 3.9Å; L877-F886 HydrophobicContact CD1-CZ 4.26Å; L877-F886 HydrophobicContact CD2-CE2 4.3Å; L877-F886 HydrophobicContact CD2-CZ 4.1Å; L877-F886 HydrophobicContact CG-CE2 4.35Å; L877-F886 HydrophobicContact CG-CZ 4.39Å
878	P	44.8	Very low	55.4	Low	40 Å²	40	47.2 Å²	47.2	26%	0.26	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.3	179.7	-18.8	32.2	0	0	0	112	F854 Y876 I880	F854-P878 HydrophobicContact CE1-CG 3.85Å; F854-P878 HydrophobicContact CZ-CG 4.15Å; Y876-P878 HydrophobicContact CD1-CB 4.41Å; Y876-P878 HydrophobicContact CD1-CG 3.92Å; Y876-P878 HydrophobicContact CE1-CB 3.83Å; Y876-P878 HydrophobicContact CE1-CG 3.8Å; Y876-P878 VanDerWaalsContact O-CD 3.3Å; Y876-P878 WeakPolarHBondContact O-CD 3.47Å; P878-I880 PolarHBondContact O-N 2.91Å
879	E	39.5	Very low	55.3	Low	61 Å²	61	47.2 Å²	47.2	29%	0.285	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.7	-178.6	-45.9	102	130.7	0	0	113.5	K857 L877 L956 Y1241	K857-E879 IonicContact NZ-OE1 2.7Å; K857-E879 PolarHBondContact NZ-OE1 2.76Å; K857-E879 IonicContact NZ-OE2 3.63Å; L877-E879 PolarHBondContact O-N 3.04Å; L877-E879 VanDerWaalsContact O-N 3.16Å; E879-L956 HydrophobicContact CB-CD2 4.23Å; E879-Y1241 HydrophobicContact CB-CE1 4.12Å; E879-Y1241 VanDerWaalsContact CB-OH 3.3Å; E879-Y1241 WeakPolarHBondContact CB-OH 3.39Å
880	I	43.6	Very low	55.1	Low	48 Å²	48	43.9 Å²	43.9	25%	0.246	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	5.2	176.8	56.7	170.6	0	0	0	113.1	L877 P878 Q882 V884 Y1241	L877-I880 HydrophobicContact CB-CD1 4.13Å; L877-I880 HydrophobicContact CB-CG1 3.65Å; L877-I880 HydrophobicContact CD1-CD1 4.11Å; L877-I880 HydrophobicContact CD1-CG1 4.44Å; L877-I880 PolarHBondContact O-N 3.28Å; P878-I880 PolarHBondContact O-N 2.91Å; I880-Q882 VanDerWaalsContact C-N 3.26Å; I880-Q882 HydrophobicContact CD1-CB 4.07Å; I880-Q882 HydrophobicContact CG1-CB 4.06Å; I880-Q882 WeakPolarHBondContact O-CG 2.97Å; I880-Q882 PolarHBondContact O-N 3.37Å; I880-V884 HydrophobicContact CD1-CG2 3.91Å; I880-Y1241 HydrophobicContact CG2-CD1 3.79Å; I880-Y1241 HydrophobicContact CG2-CE1 3.67Å
881	N	49.8	Very low	55.3	Low	49 Å²	49	40.5 Å²	40.5	26%	0.262	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	43.4	-175.4	-171.3	70.8	0	0	0	113.5	Y876 L877 F959	Y876-N881 HydrophobicContact CE2-CB 4.46Å; Y876-N881 WeakPolarHBondContact CE2-OD1 3.28Å; Y876-N881 PolarHBondContact OH-OD1 2.85Å; L877-N881 PolarHBondContact O-N 3.22Å; N881-F959 WeakPolarHBondContact ND2-CZ 3.49Å; N881-F959 WeakPolarHBondContact OD1-CE2 3.37Å
882	Q	49.4	Very low	55.1	Low	18 Å²	18	43 Å²	43	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.8	-174	-75.5	166.6	6	0	0	112.5	Y876 L877 I880 V884 P1246	Y876-Q882 CarbonylContact C-O 3.46Å; Y876-Q882 WeakPolarHBondContact CA-O 3.33Å; L877-Q882 PolarHBondContact N-O 2.81Å; L877-Q882 PolarHBondContact O-N 3.28Å; I880-Q882 VanDerWaalsContact C-N 3.26Å; I880-Q882 HydrophobicContact CD1-CB 4.07Å; I880-Q882 HydrophobicContact CG1-CB 4.06Å; I880-Q882 WeakPolarHBondContact O-CG 2.97Å; I880-Q882 PolarHBondContact O-N 3.37Å; Q882-V884 WeakPolarHBondContact O-CG2 3.44Å; Q882-P1246 HydrophobicContact CG-CG 4.35Å
883	C	63.1	Low	54.7	Low	1 Å²	1	44 Å²	44	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.1	168	-73.6	0	0	0	0	110.7	W874 C909 E910	W874-C883 HydrophobicContact CE3-CB 4.26Å; C883-C909 HydrophobicContact CB-CB 3.71Å; C883-C909 WeakPolarHBondContact CB-SG 3.24Å; C883-C909 WeakPolarHBondContact SG-CB 3.45Å; C883-C909 CovalentContact SG-SG 2.03Å; C883-C909 PolarHBondContact SG-SG 3.23Å; C883-E910 HydrophobicContact CB-CG 3.79Å; C883-E910 PolarHBondContact SG-N 3.32Å; C883-E910 VanDerWaalsContact SG-N 3.35Å
884	V	55.4	Low	53.9	Low	15 Å²	15	46.8 Å²	46.8	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139	-171.6	-155.6	0	0	0	0	109.5	W874 S875 L877 I880 Q882 F886	W874-V884 CarbonylContact C-O 3.46Å; W874-V884 WeakPolarHBondContact CA-O 3.47Å; S875-V884 PolarHBondContact N-O 2.75Å; S875-V884 PolarHBondContact O-N 2.88Å; L877-V884 HydrophobicContact CB-CG2 4.25Å; L877-V884 HydrophobicContact CD1-CG2 3.94Å; L877-V884 HydrophobicContact CG-CG2 3.9Å; I880-V884 HydrophobicContact CD1-CG2 3.91Å; Q882-V884 WeakPolarHBondContact O-CG2 3.44Å; V884-F886 HydrophobicContact CB-CE2 4.1Å; V884-F886 WeakPolarHBondContact O-CD2 3.01Å
885	R	64.1	Low	52.6	Low	131 Å²	131	49.8 Å²	49.8	49%	0.494	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.3	-179.7	-161.2	177.5	71.4	151	-3	111.7	Y872 R873 W874	Y872-R885 HydrophobicContact CD1-CG 4.26Å; R873-R885 CarbonylContact O-C 3.27Å; R873-R885 VanDerWaalsContact O-CA 3.24Å; R873-R885 WeakPolarHBondContact O-CA 3.18Å; R873-R885 WeakPolarHBondContact O-CG 3.21Å; W874-R885 HydrophobicContact CD2-CB 4.25Å; W874-R885 HydrophobicContact CE3-CB 4.36Å; W874-R885 HydrophobicContact CH2-CB 4.37Å; W874-R885 HydrophobicContact CZ2-CB 4.26Å; W874-R885 HydrophobicContact CZ3-CB 4.42Å
886	F	54.4	Low	51.8	Low	72 Å²	72	52.7 Å²	52.7	32%	0.316	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	166.1	170.2	-73.7	-98.3	0	0	0	110.3	Y872 R873 S875 L877 V884	Y872-F886 WeakPolarHBondContact CA-O 3.42Å; R873-F886 PolarHBondContact N-O 3.38Å; R873-F886 PolarHBondContact O-N 3.32Å; S875-F886 VanDerWaalsContact CB-CD2 3.5Å; S875-F886 VanDerWaalsContact OG-CD2 3.3Å; S875-F886 WeakPolarHBondContact OG-CD2 3.38Å; L877-F886 HydrophobicContact CD1-CZ 4.26Å; L877-F886 HydrophobicContact CD2-CE2 4.3Å; L877-F886 HydrophobicContact CD2-CZ 4.1Å; L877-F886 HydrophobicContact CG-CE2 4.35Å; L877-F886 HydrophobicContact CG-CZ 4.39Å; V884-F886 HydrophobicContact CB-CE2 4.1Å; V884-F886 WeakPolarHBondContact O-CD2 3.01Å
887	S	53.3	Low	50.8	Low	63 Å²	63	55.9 Å²	55.9	44%	0.441	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.4	174.5	65.1	0	0	0	0	111.6	K870 T871	K870-S887 WeakPolarHBondContact CE-OG 3.38Å; T871-S887 CarbonylContact O-C 3.58Å; T871-S887 VanDerWaalsContact O-CA 3.24Å; T871-S887 WeakPolarHBondContact O-CA 3Å
888	E	51.3	Low	50.2	Low	33 Å²	33	58.6 Å²	58.6	15%	0.154	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.3	176.9	58.9	-165.6	-174	0	0	109.6	W862 K870 T871 R873 T890	W862-E888 HydrophobicContact CZ3-CB 4.48Å; K870-E888 CarbonylContact C-O 3.47Å; K870-E888 WeakPolarHBondContact CA-O 3.4Å; T871-E888 PolarHBondContact N-O 2.89Å; T871-E888 PolarHBondContact O-N 3.48Å; T871-E888 VanDerWaalsContact OG1-CG 3.25Å; T871-E888 WeakPolarHBondContact OG1-CG 3.02Å; R873-E888 HydrophobicContact CG-CG 4.47Å; R873-E888 WeakPolarHBondContact CG-OE1 3.05Å; R873-E888 IonicContact CZ-OE1 3.85Å; R873-E888 IonicContact NE-OE1 2.9Å; R873-E888 PolarHBondContact NE-OE1 3.49Å; R873-E888 IonicContact NH2-OE1 3.2Å; R873-E888 PolarHBondContact NH2-OE1 2.86Å; E888-T890 HydrophobicContact CG-CG2 3.96Å
889	C	57.5	Low	49.9	Very low	18 Å²	18	60.2 Å²	60.2	12%	0.122	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.7	172.7	-54.9	0	0	0	0	108.1	W862 C864	W862-C889 HydrophobicContact CE3-CB 3.71Å; W862-C889 HydrophobicContact CZ3-CB 4.19Å; W862-C889 WeakPolarHBondContact CZ3-O 3.18Å; C864-C889 WeakPolarHBondContact CA-SG 3.48Å; C864-C889 HydrophobicContact CB-CB 3.77Å; C864-C889 WeakPolarHBondContact CB-SG 3.38Å; C864-C889 PolarHBondContact N-SG 3.38Å; C864-C889 VanDerWaalsContact N-SG 3.44Å; C864-C889 WeakPolarHBondContact SG-CB 3.02Å; C864-C889 CovalentContact SG-SG 2.05Å; C864-C889 PolarHBondContact SG-SG 3.28Å
890	T	55	Low	50.3	Low	12 Å²	12	59.2 Å²	59.2	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.7	-172.8	47.6	0	0	0	0	108.5	V869 T871 E888 I896	V869-T890 PolarHBondContact N-O 2.86Å; V869-T890 PolarHBondContact O-N 3.33Å; V869-T890 PolarHBondContact O-OG1 3.07Å; V869-T890 VanDerWaalsContact O-OG1 3.11Å; T871-T890 VanDerWaalsContact CG2-OG1 3.31Å; T871-T890 WeakPolarHBondContact CG2-OG1 3.36Å; T871-T890 WeakPolarHBondContact OG1-CG2 3.43Å; T871-T890 PolarHBondContact OG1-OG1 2.92Å; E888-T890 HydrophobicContact CG-CG2 3.96Å; T890-I896 HydrophobicContact CG2-CD1 3.6Å; T890-I896 HydrophobicContact CG2-CG1 3.76Å; T890-I896 HydrophobicContact CG2-CG2 4.36Å
891	N	60	Low	50.8	Low	21 Å²	21	57.4 Å²	57.4	11%	0.112	31%	0.308	C	S	.	.			trans	-55.8	142	168.1	-74	12.8	0	0	0	108.4	E826 Q867 S868 D893 Q894	E826-N891 PolarHBondContact OE1-ND2 2.72Å; Q867-N891 PolarHBondContact O-OD1 3.49Å; S868-N891 VanDerWaalsContact CB-OD1 3.3Å; S868-N891 WeakPolarHBondContact CB-OD1 3.47Å; N891-D893 PolarHBondContact O-N 2.99Å; N891-D893 VanDerWaalsContact O-N 3.09Å; N891-Q894 HydrophobicContact CB-CG 4.13Å; N891-Q894 PolarHBondContact O-N 3.35Å
892	P	53.4	Low	51.1	Low	92 Å²	92	57.1 Å²	57.1	60%	0.597	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.1	177.4	26.1	-33.1	0	0	0	111.9	Q867	Q867-P892 WeakPolarHBondContact O-CD 3.23Å
893	D	52.1	Low	51.7	Low	119 Å²	119	56.9 Å²	56.9	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1.8	177.8	-43.6	-76.1	0	0	0	114.7	N891	N891-D893 PolarHBondContact O-N 2.99Å; N891-D893 VanDerWaalsContact O-N 3.09Å
894	Q	46.3	Very low	51.6	Low	89 Å²	89	59.4 Å²	59.4	42%	0.416	33%	0.326	S	S	.	.			trans	-101	118.1	178.1	-77.6	-178.4	2.2	0	0	112.3	N891 I896	N891-Q894 HydrophobicContact CB-CG 4.13Å; N891-Q894 PolarHBondContact O-N 3.35Å; Q894-I896 WeakPolarHBondContact O-CG1 3.46Å; Q894-I896 PolarHBondContact O-N 3.25Å
895	I	43.5	Very low	52.2	Low	123 Å²	123	61 Å²	61	63%	0.631	34%	0.338	S	S	*	.			trans	-69.2	117.8	166.9	-67.7	179	0	0	0	109.4	Y828 E897	Y828-I895 HydrophobicContact CE1-CB 4.26Å; Y828-I895 HydrophobicContact CE1-CD1 4.15Å; Y828-I895 HydrophobicContact CE1-CG1 4.46Å; Y828-I895 VanDerWaalsContact OH-CD1 3.31Å; Y828-I895 WeakPolarHBondContact OH-CD1 3.32Å; Y828-I895 WeakPolarHBondContact OH-CG1 3.12Å; I895-E897 HydrophobicContact CG2-CG 4.32Å; I895-E897 PolarHBondContact O-N 3.39Å
896	I	42.5	Very low	52.5	Low	66 Å²	66	58.4 Å²	58.4	34%	0.338	33%	0.328	S	S	.	.			trans	-93.2	77.9	-173.8	-38.6	157.5	0	0	0	110.5	T871 T890 Q894 Q898	T871-I896 HydrophobicContact CG2-CD1 4.44Å; T890-I896 HydrophobicContact CG2-CD1 3.6Å; T890-I896 HydrophobicContact CG2-CG1 3.76Å; T890-I896 HydrophobicContact CG2-CG2 4.36Å; Q894-I896 WeakPolarHBondContact O-CG1 3.46Å; Q894-I896 PolarHBondContact O-N 3.25Å; I896-Q898 PolarHBondContact O-N 3.06Å
897	E	38.2	Very low	53.1	Low	82 Å²	82	58.6 Å²	58.6	38%	0.383	34%	0.338	S	S	.	.			trans	-64.1	125.3	172.2	-66.4	-159.8	140	0	0	110.9	G832 I895 P899	G832-E897 VanDerWaalsContact CA-OE2 3.25Å; G832-E897 WeakPolarHBondContact CA-OE2 3.44Å; G832-E897 PolarHBondContact N-OE2 3.04Å; I895-E897 HydrophobicContact CG2-CG 4.32Å; I895-E897 PolarHBondContact O-N 3.39Å; E897-P899 VanDerWaalsContact O-CD 3.23Å; E897-P899 WeakPolarHBondContact O-CD 3.49Å
898	Q	38.1	Very low	53.7	Low	78 Å²	78	58.7 Å²	58.7	36%	0.364	33%	0.332	S	S	.	.			trans	-74.1	119.3	-172	-61.1	-171.6	36.4	0	0	113	I896 N902	I896-Q898 PolarHBondContact O-N 3.06Å; Q898-N902 PolarHBondContact OE1-O 2.72Å
899	P	38.2	Very low	54.6	Low	73 Å²	73	57.1 Å²	57.1	47%	0.474	33%	0.325	S	S	.	.			trans	-109.7	94.7	179	23.3	-3.1	0	0	0	112.3	A855 E897 N901	A855-P899 WeakPolarHBondContact CB-O 3.33Å; E897-P899 VanDerWaalsContact O-CD 3.23Å; E897-P899 WeakPolarHBondContact O-CD 3.49Å; P899-N901 PolarHBondContact O-N 3.45Å
900	G	48	Very low	54.9	Low	41 Å²	41	58.6 Å²	58.6	42%	0.423	33%	0.33	S	S	.	.	S	Bend	trans	77.7	-113.6	169.8	0	0	0	0	0	113.8	N902	G900-N902 PolarHBondContact O-N 2.78Å
901	N	52.3	Low	55.2	Low	10 Å²	10	62.6 Å²	62.6	5%	0.053	35%	0.354	C	S	.	.	S	Bend	trans	-78.5	35.1	-169	-161.7	22.9	0	0	0	114.6	C853 A855 S875 Y876 P899	C853-N901 VanDerWaalsContact O-CB 3.27Å; C853-N901 WeakPolarHBondContact O-CB 3.15Å; C853-N901 PolarHBondContact O-ND2 2.03Å; C853-N901 PolarHBondContact O-OD1 3Å; A855-N901 HydrophobicContact CB-CB 3.81Å; S875-N901 WeakPolarHBondContact CA-O 3.37Å; S875-N901 WeakPolarHBondContact CB-O 3.43Å; S875-N901 PolarHBondContact OG-O 3.5Å; Y876-N901 PolarHBondContact N-OD1 3.13Å; Y876-N901 PolarHBondContact O-ND2 3.02Å; Y876-N901 PolarHBondContact O-OD1 2.82Å; P899-N901 PolarHBondContact O-N 3.45Å
902	N	56.2	Low	55.2	Low	42 Å²	42	63.7 Å²	63.7	23%	0.225	36%	0.362	C	S	.	.			trans	-134.3	70.6	-173.8	-84.7	13.2	0	0	0	110.6	R873 W874 S875 Q898 G900	R873-N902 HydrophobicContact CB-CB 4.19Å; R873-N902 HydrophobicContact CG-CB 4.2Å; W874-N902 CarbonylContact O-C 3.46Å; W874-N902 WeakPolarHBondContact O-CA 3.42Å; S875-N902 PolarHBondContact OG-OD1 2.77Å; Q898-N902 PolarHBondContact OE1-O 2.72Å; G900-N902 PolarHBondContact O-N 2.78Å
903	F	63	Low	55.5	Low	14 Å²	14	59.3 Å²	59.3	6%	0.061	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-73.9	153.8	179.8	-49.3	-77.2	0	0	0	111.4	R873 W874 E908 C909 T912 C913	R873-F903 CarbonylContact C-O 3.56Å; R873-F903 WeakPolarHBondContact CA-O 3.38Å; W874-F903 HydrophobicContact CB-CB 4.35Å; W874-F903 PolarHBondContact N-O 2.83Å; W874-F903 VanDerWaalsContact O-CD2 3.26Å; W874-F903 WeakPolarHBondContact O-CD2 3.47Å; W874-F903 PolarHBondContact O-N 2.92Å; F903-E908 HydrophobicContact CB-CB 4.27Å; F903-E908 HydrophobicContact CB-CG 4.07Å; F903-E908 HydrophobicContact CD1-CG 4.02Å; F903-E908 HydrophobicContact CG-CG 4.45Å; F903-C909 HydrophobicContact CB-CB 3.9Å; F903-C909 VanDerWaalsContact CD2-CA 3.46Å; F903-C909 HydrophobicContact CD2-CB 3.32Å; F903-C909 WeakPolarHBondContact CD2-SG 3.2Å; F903-C909 HydrophobicContact CE2-CB 4.06Å; F903-C909 HydrophobicContact CG-CB 3.73Å; F903-T912 HydrophobicContact CE1-CG2 3.61Å; F903-T912 HydrophobicContact CZ-CG2 3.76Å; F903-C913 VanDerWaalsContact CZ-SG 3.54Å
904	A	60.6	Low	55.9	Low	53 Å²	53	55.7 Å²	55.7	44%	0.438	31%	0.313	S	S	.	.	S	Bend	trans	-74.9	-34.6	175	0	0	0	0	0	112.3	E908	A904-E908 WeakPolarHBondContact CA-OE2 3.11Å; A904-E908 WeakPolarHBondContact CB-OE2 3.33Å; A904-E908 PolarHBondContact N-OE2 2.83Å
905	S	67.3	Low	56.3	Low	49 Å²	49	52.8 Å²	52.8	34%	0.343	31%	0.305	S	S	.	.	S	Bend	trans	-125.2	159.4	-178.9	76.2	0	0	0	0	114.4	S907 E908 C909	S905-S907 VanDerWaalsContact C-N 3.3Å; S905-S907 PolarHBondContact O-N 2.95Å; S905-E908 PolarHBondContact N-OE2 2.57Å; S905-E908 PolarHBondContact O-N 3.29Å; S905-E908 WeakPolarHBondContact OG-CB 3Å; S905-E908 PolarHBondContact OG-N 2.88Å; S905-C909 PolarHBondContact O-N 3.5Å
906	R	70.6	Confident	56.7	Low	76 Å²	76	51.6 Å²	51.6	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-44.4	171	-175.2	-179.4	168	144.6	8.3	110.8	W874 C909 E910 S1247	W874-R906 HydrophobicContact CD2-CB 3.72Å; W874-R906 HydrophobicContact CD2-CG 4.34Å; W874-R906 HydrophobicContact CE3-CB 3.78Å; W874-R906 HydrophobicContact CE3-CG 3.88Å; W874-R906 HydrophobicContact CG-CB 4.4Å; W874-R906 HydrophobicContact CH2-CB 3.89Å; W874-R906 HydrophobicContact CH2-CG 4.08Å; W874-R906 HydrophobicContact CZ2-CB 3.82Å; W874-R906 HydrophobicContact CZ3-CB 3.86Å; W874-R906 HydrophobicContact CZ3-CG 3.73Å; R906-C909 WeakPolarHBondContact O-CB 2.97Å; R906-C909 PolarHBondContact O-N 3.27Å; R906-E910 HydrophobicContact CG-CG 4.14Å; R906-E910 WeakPolarHBondContact CG-OE2 3.43Å; R906-E910 IonicContact CZ-OE1 3.59Å; R906-E910 IonicContact CZ-OE2 3.85Å; R906-E910 IonicContact NE-OE1 2.78Å; R906-E910 PolarHBondContact NE-OE1 2.95Å; R906-E910 IonicContact NE-OE2 3.77Å; R906-E910 PolarHBondContact NE-OE2 3.5Å; R906-E910 IonicContact NH2-OE1 3.1Å; R906-E910 PolarHBondContact NH2-OE1 2.85Å; R906-E910 IonicContact NH2-OE2 3.78Å; R906-E910 WeakPolarHBondContact O-CB 3.48Å; R906-E910 WeakPolarHBondContact O-CG 3.39Å; R906-E910 PolarHBondContact O-N 3.37Å; R906-S1247 PolarHBondContact NH1-OG 3.42Å
907	S	67.9	Low	57.3	Low	76 Å²	76	50.2 Å²	50.2	53%	0.531	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-47.2	-179.9	-175.3	0	0	0	0	112	S905 C909 E910 T911	S905-S907 VanDerWaalsContact C-N 3.3Å; S905-S907 PolarHBondContact O-N 2.95Å; S907-C909 VanDerWaalsContact C-N 3.32Å; S907-C909 PolarHBondContact O-N 3.46Å; S907-E910 PolarHBondContact O-N 3.13Å; S907-T911 WeakPolarHBondContact O-CB 3.41Å; S907-T911 WeakPolarHBondContact O-CG2 3.47Å; S907-T911 PolarHBondContact O-N 3.13Å; S907-T911 PolarHBondContact O-OG1 2.93Å
908	E	65.1	Low	58.5	Low	66 Å²	66	52.5 Å²	52.5	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-60.6	-40.4	176.3	-176.7	-176.2	-153.6	0	0	111.8	F903 A904 S905 T911 T912	F903-E908 HydrophobicContact CB-CB 4.27Å; F903-E908 HydrophobicContact CB-CG 4.07Å; F903-E908 HydrophobicContact CD1-CG 4.02Å; F903-E908 HydrophobicContact CG-CG 4.45Å; A904-E908 WeakPolarHBondContact CA-OE2 3.11Å; A904-E908 WeakPolarHBondContact CB-OE2 3.33Å; A904-E908 PolarHBondContact N-OE2 2.83Å; S905-E908 PolarHBondContact N-OE2 2.57Å; S905-E908 PolarHBondContact O-N 3.29Å; S905-E908 WeakPolarHBondContact OG-CB 3Å; S905-E908 PolarHBondContact OG-N 2.88Å; E908-T911 PolarHBondContact O-OG1 3.01Å; E908-T912 WeakPolarHBondContact O-CB 3.17Å; E908-T912 PolarHBondContact O-N 3.22Å; E908-T912 PolarHBondContact O-OG1 2.7Å
909	C	71.3	Confident	59.4	Low	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-51.6	171.9	-178.2	0	0	0	0	112.2	W874 Y876 C883 F903 S905 R906 S907 T911 T912 C913	W874-C909 HydrophobicContact CB-CB 3.88Å; Y876-C909 PolarHBondContact N-SG 3.01Å; Y876-C909 VanDerWaalsContact N-SG 3.38Å; C883-C909 HydrophobicContact CB-CB 3.71Å; C883-C909 WeakPolarHBondContact CB-SG 3.24Å; C883-C909 WeakPolarHBondContact SG-CB 3.45Å; C883-C909 CovalentContact SG-SG 2.03Å; C883-C909 PolarHBondContact SG-SG 3.23Å; F903-C909 HydrophobicContact CB-CB 3.9Å; F903-C909 VanDerWaalsContact CD2-CA 3.46Å; F903-C909 HydrophobicContact CD2-CB 3.32Å; F903-C909 WeakPolarHBondContact CD2-SG 3.2Å; F903-C909 HydrophobicContact CE2-CB 4.06Å; F903-C909 HydrophobicContact CG-CB 3.73Å; S905-C909 PolarHBondContact O-N 3.5Å; R906-C909 WeakPolarHBondContact O-CB 2.97Å; R906-C909 PolarHBondContact O-N 3.27Å; S907-C909 VanDerWaalsContact C-N 3.32Å; S907-C909 PolarHBondContact O-N 3.46Å; C909-T911 PolarHBondContact O-N 3.05Å; C909-T912 PolarHBondContact O-N 2.78Å; C909-C913 WeakPolarHBondContact O-CB 3.49Å; C909-C913 PolarHBondContact O-N 2.96Å
910	E	63.2	Low	60.5	Low	48 Å²	48	51 Å²	51	22%	0.224	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-40.2	-174.6	-69.9	-176.9	142.2	0	0	111.6	C883 R906 S907 C913 M914	C883-E910 HydrophobicContact CB-CG 3.79Å; C883-E910 PolarHBondContact SG-N 3.32Å; C883-E910 VanDerWaalsContact SG-N 3.35Å; R906-E910 HydrophobicContact CG-CG 4.14Å; R906-E910 WeakPolarHBondContact CG-OE2 3.43Å; R906-E910 IonicContact CZ-OE1 3.59Å; R906-E910 IonicContact CZ-OE2 3.85Å; R906-E910 IonicContact NE-OE1 2.78Å; R906-E910 PolarHBondContact NE-OE1 2.95Å; R906-E910 IonicContact NE-OE2 3.77Å; R906-E910 PolarHBondContact NE-OE2 3.5Å; R906-E910 IonicContact NH2-OE1 3.1Å; R906-E910 PolarHBondContact NH2-OE1 2.85Å; R906-E910 IonicContact NH2-OE2 3.78Å; R906-E910 WeakPolarHBondContact O-CB 3.48Å; R906-E910 WeakPolarHBondContact O-CG 3.39Å; R906-E910 PolarHBondContact O-N 3.37Å; S907-E910 PolarHBondContact O-N 3.13Å; E910-C913 PolarHBondContact O-N 3.41Å; E910-M914 HydrophobicContact CB-CG 4.39Å; E910-M914 HydrophobicContact CB-SD 3.97Å; E910-M914 HydrophobicContact CG-CE 3.77Å; E910-M914 HydrophobicContact CG-CG 4.44Å; E910-M914 HydrophobicContact CG-SD 3.72Å; E910-M914 WeakPolarHBondContact O-CB 3.42Å; E910-M914 PolarHBondContact O-N 2.95Å; E910-M914 WeakPolarHBondContact OE1-CE 3.47Å
911	T	60.4	Low	61.5	Low	97 Å²	97	49.9 Å²	49.9	60%	0.595	28%	0.284	S	S	*	.	H	α-helix	trans	-70.2	-27.3	174.2	54.9	0	0	0	0	113.6	S907 E908 C909	S907-T911 WeakPolarHBondContact O-CB 3.41Å; S907-T911 WeakPolarHBondContact O-CG2 3.47Å; S907-T911 PolarHBondContact O-N 3.13Å; S907-T911 PolarHBondContact O-OG1 2.93Å; E908-T911 PolarHBondContact O-OG1 3.01Å; C909-T911 PolarHBondContact O-N 3.05Å
912	T	60.1	Low	62.8	Low	44 Å²	44	49.4 Å²	49.4	27%	0.27	28%	0.281	S	S	.	.	H	α-helix	trans	-79.6	-31.7	172.3	-57.3	0	0	0	0	112.1	R852 F903 E908 C909	R852-T912 HydrophobicContact CB-CG2 4.12Å; R852-T912 VanDerWaalsContact CB-O 3.25Å; R852-T912 WeakPolarHBondContact CB-O 2.98Å; R852-T912 WeakPolarHBondContact CD-O 3.35Å; R852-T912 PolarHBondContact NE-O 2.9Å; F903-T912 HydrophobicContact CE1-CG2 3.61Å; F903-T912 HydrophobicContact CZ-CG2 3.76Å; E908-T912 WeakPolarHBondContact O-CB 3.17Å; E908-T912 PolarHBondContact O-N 3.22Å; E908-T912 PolarHBondContact O-OG1 2.7Å; C909-T912 PolarHBondContact O-N 2.78Å
913	C	61.2	Low	63.7	Low	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-121.9	-25.8	-160.8	-69.1	0	0	0	0	118.1	C853 Y876 F903 C909 E910	C853-C913 HydrophobicContact CB-CB 4.12Å; C853-C913 WeakPolarHBondContact CB-SG 3.3Å; C853-C913 WeakPolarHBondContact SG-CA 3.47Å; C853-C913 WeakPolarHBondContact SG-CB 3.43Å; C853-C913 CovalentContact SG-SG 2.02Å; C853-C913 PolarHBondContact SG-SG 2.93Å; Y876-C913 VanDerWaalsContact CB-CB 3.46Å; Y876-C913 WeakPolarHBondContact CB-SG 3.34Å; Y876-C913 HydrophobicContact CD1-CB 3.95Å; Y876-C913 HydrophobicContact CD2-CB 3.46Å; Y876-C913 VanDerWaalsContact CD2-CB 3.46Å; Y876-C913 HydrophobicContact CE1-CB 4.48Å; Y876-C913 HydrophobicContact CE2-CB 4.07Å; Y876-C913 HydrophobicContact CG-CB 3.38Å; F903-C913 VanDerWaalsContact CZ-SG 3.54Å; C909-C913 WeakPolarHBondContact O-CB 3.49Å; C909-C913 PolarHBondContact O-N 2.96Å; E910-C913 PolarHBondContact O-N 3.41Å
914	M	60.8	Low	64	Low	42 Å²	42	48.8 Å²	48.8	21%	0.207	28%	0.277	C	S	.	.	S	Bend	trans	-86.7	153.4	178.8	-67.1	-176.4	171.7	0	0	111.1	L849 Y876 E910 S916	L849-M914 WeakPolarHBondContact CD2-O 3.29Å; Y876-M914 HydrophobicContact CE2-CG 4.42Å; E910-M914 HydrophobicContact CB-CG 4.39Å; E910-M914 HydrophobicContact CB-SD 3.97Å; E910-M914 HydrophobicContact CG-CE 3.77Å; E910-M914 HydrophobicContact CG-CG 4.44Å; E910-M914 HydrophobicContact CG-SD 3.72Å; E910-M914 WeakPolarHBondContact O-CB 3.42Å; E910-M914 PolarHBondContact O-N 2.95Å; E910-M914 WeakPolarHBondContact OE1-CE 3.47Å; M914-S916 PolarHBondContact O-N 3.13Å; M914-S916 VanDerWaalsContact O-N 3.14Å
915	A	52.9	Low	64.8	Low	29 Å²	29	48.4 Å²	48.4	24%	0.24	27%	0.27	C	S	.	.			trans	-69.7	105.6	165.5	0	0	0	0	0	108.9	L849 S917 V921 F959	L849-A915 HydrophobicContact CD1-CB 3.52Å; A915-S917 PolarHBondContact O-N 3.41Å; A915-V921 HydrophobicContact CB-CG2 3.88Å; A915-F959 HydrophobicContact CB-CD2 4.11Å; A915-F959 HydrophobicContact CB-CE2 4.36Å
916	S	52.1	Low	65.1	Low	98 Å²	98	49.7 Å²	49.7	69%	0.685	27%	0.27	S	S	*	.			trans	-75.6	-13	-179.2	64.8	0	0	0	0	113.6	M914 E920	M914-S916 PolarHBondContact O-N 3.13Å; M914-S916 VanDerWaalsContact O-N 3.14Å; S916-E920 WeakPolarHBondContact CB-OE2 3.3Å; S916-E920 PolarHBondContact N-OE2 3.11Å; S916-E920 PolarHBondContact OG-OE2 3.35Å
917	S	56.1	Low	65.5	Low	36 Å²	36	47.4 Å²	47.4	25%	0.252	26%	0.263	S	S	.	.	S	Bend	trans	-163.5	156.4	-164.5	52.9	0	0	0	0	112.8	A915 E919 E920 V921	A915-S917 PolarHBondContact O-N 3.41Å; S917-E919 PolarHBondContact O-N 2.03Å; S917-E919 WeakPolarHBondContact OG-CB 3.36Å; S917-E920 PolarHBondContact O-N 3.11Å; S917-E920 VanDerWaalsContact O-N 3.09Å; S917-E920 PolarHBondContact OG-N 2.97Å; S917-V921 PolarHBondContact O-N 2.82Å; S917-V921 VanDerWaalsContact O-N 3.16Å
918	F	63.1	Low	65.1	Low	131 Å²	131	44.8 Å²	44.8	58%	0.575	24%	0.244	S	C	*	.	H	α-helix	trans	-59.2	-27.4	164.5	-72.5	-76.4	0	0	0	111.5	E920 V921 C922 A971 F975	F918-E920 VanDerWaalsContact C-N 3.33Å; F918-E920 PolarHBondContact O-N 3.14Å; F918-V921 PolarHBondContact O-N 2.88Å; F918-C922 VanDerWaalsContact O-CB 3.29Å; F918-C922 WeakPolarHBondContact O-CB 3.41Å; F918-C922 PolarHBondContact O-N 3.34Å; F918-C922 PolarHBondContact O-SG 2.9Å; F918-A971 HydrophobicContact CD1-CB 3.92Å; F918-A971 HydrophobicContact CE1-CB 3.98Å; F918-F975 VanDerWaalsContact C-CE2 3.4Å; F918-F975 HydrophobicContact CB-CD2 4.38Å; F918-F975 HydrophobicContact CB-CE2 3.65Å
919	E	57.6	Low	64.6	Low	78 Å²	78	42.7 Å²	42.7	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-46.4	-54.4	166.9	-120	89.6	-161.8	0	0	111.3	S917 Q923 F975	S917-E919 PolarHBondContact O-N 2.03Å; S917-E919 WeakPolarHBondContact OG-CB 3.36Å; E919-Q923 WeakPolarHBondContact O-CG 3.45Å; E919-Q923 PolarHBondContact O-NE2 3.19Å; E919-F975 VanDerWaalsContact CA-CE1 3.46Å; E919-F975 HydrophobicContact CB-CE1 3.96Å; E919-F975 HydrophobicContact CB-CZ 3.88Å; E919-F975 HydrophobicContact CG-CE1 3.45Å; E919-F975 VanDerWaalsContact CG-CE1 3.45Å; E919-F975 HydrophobicContact CG-CZ 3.72Å; E919-F975 VanDerWaalsContact N-CZ 3.26Å; E919-F975 VanDerWaalsContact OE1-CE1 3.25Å; E919-F975 WeakPolarHBondContact OE1-CE1 3.37Å; E919-F975 WeakPolarHBondContact OE2-CZ 3.14Å
920	E	60.8	Low	63.7	Low	40 Å²	40	46.9 Å²	46.9	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-75.4	-40.6	-177.4	-69.2	-179.5	128	0	0	111.6	L849 R852 S916 S917 F918 Q923 L924	L849-E920 HydrophobicContact CD1-CB 4Å; R852-E920 IonicContact CZ-OE1 2.98Å; R852-E920 IonicContact NH1-OE1 3.86Å; R852-E920 PolarHBondContact NH1-OE1 3.34Å; R852-E920 IonicContact NH2-OE1 3.69Å; S916-E920 WeakPolarHBondContact CB-OE2 3.3Å; S916-E920 PolarHBondContact N-OE2 3.11Å; S916-E920 PolarHBondContact OG-OE2 3.35Å; S917-E920 PolarHBondContact O-N 3.11Å; S917-E920 VanDerWaalsContact O-N 3.09Å; S917-E920 PolarHBondContact OG-N 2.97Å; F918-E920 VanDerWaalsContact C-N 3.33Å; F918-E920 PolarHBondContact O-N 3.14Å; E920-Q923 PolarHBondContact O-N 3.12Å; E920-Q923 VanDerWaalsContact O-N 3.14Å; E920-L924 WeakPolarHBondContact O-CG 3.04Å
921	V	68.2	Low	63.4	Low	18 Å²	18	46.1 Å²	46.1	11%	0.109	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-54.8	176.5	172.4	0	0	0	0	111.8	A915 S917 F918 Q923 L924 F959 N960 F962	A915-V921 HydrophobicContact CB-CG2 3.88Å; S917-V921 PolarHBondContact O-N 2.82Å; S917-V921 VanDerWaalsContact O-N 3.16Å; F918-V921 PolarHBondContact O-N 2.88Å; V921-Q923 PolarHBondContact O-N 2.97Å; V921-L924 PolarHBondContact O-N 2.62Å; V921-F959 HydrophobicContact CB-CB 4.25Å; V921-F959 HydrophobicContact CG1-CB 3.77Å; V921-F959 WeakPolarHBondContact CG1-O 3.1Å; V921-F959 HydrophobicContact CG2-CB 3.79Å; V921-F959 HydrophobicContact CG2-CG 4.31Å; V921-N960 WeakPolarHBondContact O-CB 3.47Å; V921-F962 HydrophobicContact CG1-CZ 4.11Å
922	C	80.1	Confident	63.3	Low	1 Å²	1	45.6 Å²	45.6	1%	0.007	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	2.2	-178.5	-60.5	0	0	0	0	113.3	F918 Y940 S942 C972 F975	F918-C922 VanDerWaalsContact O-CB 3.29Å; F918-C922 WeakPolarHBondContact O-CB 3.41Å; F918-C922 PolarHBondContact O-N 3.34Å; F918-C922 PolarHBondContact O-SG 2.9Å; C922-Y940 HydrophobicContact CB-CD1 4.12Å; C922-Y940 VanDerWaalsContact O-CD1 3.23Å; C922-Y940 WeakPolarHBondContact O-CD1 3.11Å; C922-S942 WeakPolarHBondContact O-CB 3.43Å; C922-C972 HydrophobicContact CB-CB 3.81Å; C922-C972 WeakPolarHBondContact CB-SG 3.12Å; C922-C972 WeakPolarHBondContact SG-CB 3.41Å; C922-C972 CovalentContact SG-SG 2.03Å; C922-C972 PolarHBondContact SG-SG 3.1Å; C922-F975 HydrophobicContact CB-CB 4.14Å; C922-F975 HydrophobicContact CB-CD2 3.67Å; C922-F975 HydrophobicContact CB-CG 3.69Å; C922-F975 WeakPolarHBondContact SG-CD2 3.37Å
923	Q	74.8	Confident	62.9	Low	41 Å²	41	43.7 Å²	43.7	19%	0.192	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-18	176.1	-76.3	-178	89.1	0	0	114.3	K847 E919 E920 V921 S942	K847-Q923 HydrophobicContact CB-CB 4.39Å; E919-Q923 WeakPolarHBondContact O-CG 3.45Å; E919-Q923 PolarHBondContact O-NE2 3.19Å; E920-Q923 PolarHBondContact O-N 3.12Å; E920-Q923 VanDerWaalsContact O-N 3.14Å; V921-Q923 PolarHBondContact O-N 2.97Å; Q923-S942 PolarHBondContact O-OG 2.92Å
924	L	70.1	Confident	63	Low	2 Å²	2	46.4 Å²	46.4	1%	0.01	26%	0.264	C	S	.	.	S	Bend	trans	-63.6	158.8	-178.9	-58.8	170.3	0	0	0	113.1	L849 E920 V921 N958 F959 N960	L849-L924 HydrophobicContact CB-CD2 3.69Å; L849-L924 HydrophobicContact CD1-CD1 4.03Å; L849-L924 HydrophobicContact CD1-CD2 3.95Å; L849-L924 HydrophobicContact CD1-CG 4.34Å; L849-L924 HydrophobicContact CG-CD2 4.05Å; E920-L924 WeakPolarHBondContact O-CG 3.04Å; V921-L924 PolarHBondContact O-N 2.62Å; L924-N958 HydrophobicContact CD1-CB 3.99Å; L924-N958 WeakPolarHBondContact CD1-OD1 2.96Å; L924-F959 HydrophobicContact CD1-CB 4.06Å; L924-N960 HydrophobicContact CB-CB 3.89Å; L924-N960 PolarHBondContact O-ND2 3.46Å
925	P	76.3	Confident	62.9	Low	44 Å²	44	44.6 Å²	44.6	29%	0.286	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-69.3	163.5	168.2	32.3	-37.1	0	0	0	111	H848 D927 N958	H848-P925 WeakPolarHBondContact ND1-CD 3.21Å; P925-D927 PolarHBondContact O-N 3.45Å; P925-N958 PolarHBondContact O-ND2 2.86Å; P925-N958 PolarHBondContact O-OD1 3.24Å
926	K	75.4	Confident	63.9	Low	76 Å²	76	47 Å²	47	33%	0.33	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-57.5	138.3	156.6	59.3	162.8	-175.7	168.3	0	108.9	F939 F950	K926-F939 HydrophobicContact CB-CB 4.12Å; K926-F939 HydrophobicContact CB-CD1 3.72Å; K926-F939 HydrophobicContact CB-CD2 3.65Å; K926-F939 HydrophobicContact CB-CE1 3.91Å; K926-F939 HydrophobicContact CB-CE2 3.83Å; K926-F939 HydrophobicContact CB-CG 3.59Å; K926-F939 HydrophobicContact CB-CZ 3.96Å; K926-F939 HydrophobicContact CD-CD1 4.44Å; K926-F939 HydrophobicContact CD-CE1 3.92Å; K926-F939 HydrophobicContact CD-CZ 4.02Å; K926-F939 HydrophobicContact CG-CD1 4.44Å; K926-F939 HydrophobicContact CG-CD2 4.38Å; K926-F939 HydrophobicContact CG-CE1 4.13Å; K926-F939 HydrophobicContact CG-CE2 4.03Å; K926-F939 HydrophobicContact CG-CZ 3.91Å; K926-F950 HydrophobicContact CB-CB 4.17Å; K926-F950 HydrophobicContact CB-CD1 4.3Å; K926-F950 HydrophobicContact CB-CD2 3.94Å; K926-F950 HydrophobicContact CB-CE2 4.36Å; K926-F950 HydrophobicContact CB-CG 3.9Å; K926-F950 HydrophobicContact CD-CB 3.59Å; K926-F950 HydrophobicContact CD-CD2 4.38Å; K926-F950 HydrophobicContact CD-CG 4.2Å
927	D	77.6	Confident	65.2	Low	28 Å²	28	42.9 Å²	42.9	15%	0.15	24%	0.236	C	C	.	.			trans	-136.4	100.4	177.7	177.9	10	0	0	0	109.1	Q850 P925 G929 F950 G957 N958	Q850-D927 PolarHBondContact NE2-OD2 3.27Å; P925-D927 PolarHBondContact O-N 3.45Å; D927-G929 PolarHBondContact O-N 3.08Å; D927-G929 VanDerWaalsContact O-N 3.16Å; D927-G929 PolarHBondContact OD1-N 2.91Å; D927-F950 WeakPolarHBondContact O-CE2 3.35Å; D927-G957 VanDerWaalsContact OD2-CA 3.28Å; D927-G957 WeakPolarHBondContact OD2-CA 2.98Å; D927-N958 HydrophobicContact CB-CB 4.14Å; D927-N958 WeakPolarHBondContact CB-ND2 3.08Å; D927-N958 PolarHBondContact OD2-N 3.12Å
928	P	59.8	Low	66.6	Low	22 Å²	22	43.2 Å²	43.2	14%	0.143	23%	0.232	C	C	.	.			trans	-57.5	-22.7	176	-25.8	35.9	0	0	0	113.6	F950 L951 Y952 G953	P928-F950 HydrophobicContact CG-CD2 4.49Å; P928-L951 WeakPolarHBondContact CB-O 3.35Å; P928-Y952 WeakPolarHBondContact O-CD2 3.31Å; P928-G953 WeakPolarHBondContact O-CA 3.32Å; P928-G953 PolarHBondContact O-N 2.97Å
929	G	54.3	Low	67.7	Low	21 Å²	21	37.9 Å²	37.9	22%	0.216	21%	0.209	C	C	.	.			trans	65.9	-179.9	-166.3	0	0	0	0	0	113.2	D927 C955	D927-G929 PolarHBondContact O-N 3.08Å; D927-G929 VanDerWaalsContact O-N 3.16Å; D927-G929 PolarHBondContact OD1-N 2.91Å; G929-C955 WeakPolarHBondContact CA-O 3.4Å
930	P	52.1	Low	69.1	Low	89 Å²	89	34.6 Å²	34.6	58%	0.578	19%	0.194	S	C	*	.	S	Bend	trans	-100.2	19.1	-169.1	39.2	-36.3	0	0	0	115.1	C955 L956	P930-C955 WeakPolarHBondContact CD-O 3.45Å; P930-L956 HydrophobicContact CG-CB 3.98Å; P930-L956 HydrophobicContact CG-CD1 4.2Å
931	C	58.5	Low	70	Confident	32 Å²	32	33.3 Å²	33.3	22%	0.216	19%	0.188	C	C	.	.			trans	-111.1	161.7	-177.6	-74	0	0	0	0	113.7	S933 G953 C955 F1298	C931-S933 VanDerWaalsContact C-N 3.33Å; C931-S933 PolarHBondContact O-N 2.93Å; C931-G953 CarbonylContact C-O 3.46Å; C931-G953 WeakPolarHBondContact CA-O 3.04Å; C931-G953 WeakPolarHBondContact CB-O 3.2Å; C931-G953 CarbonylContact O-C 3.59Å; C931-G953 WeakPolarHBondContact O-CA 3.45Å; C931-C955 HydrophobicContact CB-CB 3.75Å; C931-C955 WeakPolarHBondContact CB-SG 3.37Å; C931-C955 WeakPolarHBondContact SG-CB 3.46Å; C931-C955 CovalentContact SG-SG 2.03Å; C931-C955 PolarHBondContact SG-SG 3.2Å; C931-F1298 HydrophobicContact CB-CE2 3.79Å; C931-F1298 HydrophobicContact CB-CZ 3.67Å
932	T	56.7	Low	70.1	Confident	85 Å²	85	33.3 Å²	33.3	52%	0.521	19%	0.189	S	C	.	.	S	Bend	trans	-95.2	33.9	-155.8	66.8	0	0	0	0	115.4	E690 R694	E690-T932 VanDerWaalsContact CD-CA 3.46Å; E690-T932 HydrophobicContact CG-CG2 4.46Å; E690-T932 WeakPolarHBondContact OE1-CA 3.46Å; E690-T932 WeakPolarHBondContact OE1-CG2 3.38Å; E690-T932 WeakPolarHBondContact OE2-CA 3.32Å; E690-T932 WeakPolarHBondContact OE2-CB 3.41Å; E690-T932 WeakPolarHBondContact OE2-CG2 3.18Å; R694-T932 PolarHBondContact NH2-O 3.04Å
933	S	51.8	Low	69.5	Low	4 Å²	4	34.6 Å²	34.6	3%	0.028	20%	0.198	C	C	.	.			trans	-150.3	76.8	-139.2	-91.1	0	0	0	0	111.2	C931 Q935 G953 G1272 C1273 F1298	C931-S933 VanDerWaalsContact C-N 3.33Å; C931-S933 PolarHBondContact O-N 2.93Å; S933-Q935 PolarHBondContact O-N 2.99Å; S933-Q935 VanDerWaalsContact O-N 3.08Å; S933-G953 WeakPolarHBondContact CB-O 3.37Å; S933-G953 PolarHBondContact N-O 2.99Å; S933-G953 CarbonylContact O-C 3.59Å; S933-G953 WeakPolarHBondContact O-CA 3.22Å; S933-G1272 VanDerWaalsContact C-CA 3.45Å; S933-G1272 CarbonylContact C-O 3.58Å; S933-G1272 WeakPolarHBondContact CA-O 3.49Å; S933-G1272 VanDerWaalsContact CB-O 3.29Å; S933-G1272 WeakPolarHBondContact CB-O 3.42Å; S933-G1272 WeakPolarHBondContact O-CA 3.29Å; S933-G1272 VanDerWaalsContact OG-C 3.3Å; S933-G1272 PolarHBondContact OG-O 3.11Å; S933-C1273 WeakPolarHBondContact OG-CA 3.41Å; S933-C1273 PolarHBondContact OG-N 3.39Å; S933-C1273 PolarHBondContact OG-SG 3.46Å; S933-F1298 VanDerWaalsContact CB-CE2 3.48Å
934	F	64.5	Low	69.6	Low	57 Å²	57	32.7 Å²	32.7	25%	0.25	19%	0.189	C	C	.	.			trans	-77.9	94.6	-159.8	-55.9	-55.2	0	0	0	113.5	D688 E690 L951 Y952 G1272	D688-F934 HydrophobicContact CB-CE1 4.33Å; D688-F934 HydrophobicContact CB-CZ 3.94Å; D688-F934 WeakPolarHBondContact OD1-CE1 3.01Å; E690-F934 HydrophobicContact CB-CZ 4.5Å; F934-L951 HydrophobicContact CB-CB 4.3Å; F934-L951 HydrophobicContact CB-CD1 4.4Å; F934-L951 HydrophobicContact CB-CD2 4.37Å; F934-L951 HydrophobicContact CD1-CB 4.01Å; F934-L951 HydrophobicContact CD1-CD1 4.36Å; F934-L951 HydrophobicContact CG-CB 4.42Å; F934-L951 HydrophobicContact CG-CD1 4.27Å; F934-Y952 WeakPolarHBondContact CA-O 3.5Å; F934-G1272 PolarHBondContact N-O 2.85Å
935	Q	57.3	Low	69.7	Low	4 Å²	4	34.2 Å²	34.2	2%	0.019	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.5	164.6	-60.2	-174.7	-36.9	0	0	110	S933 R937 Y952 D1269 G1271 G1299	S933-Q935 PolarHBondContact O-N 2.99Å; S933-Q935 VanDerWaalsContact O-N 3.08Å; Q935-R937 HydrophobicContact CB-CG 4.03Å; Q935-R937 PolarHBondContact O-N 3.12Å; Q935-R937 VanDerWaalsContact O-N 3.09Å; Q935-R937 VanDerWaalsContact OE1-CZ 3.32Å; Q935-Y952 HydrophobicContact CB-CD1 4.31Å; Q935-Y952 PolarHBondContact N-O 3.47Å; Q935-Y952 PolarHBondContact O-N 3.48Å; Q935-D1269 PolarHBondContact NE2-OD1 3.02Å; Q935-D1269 PolarHBondContact NE2-OD2 2.93Å; Q935-D1269 PolarHBondContact OE1-OD1 3.32Å; Q935-D1269 PolarHBondContact OE1-OD2 2.01Å; Q935-G1271 WeakPolarHBondContact CG-O 3.33Å; Q935-G1271 VanDerWaalsContact NE2-CA 3.31Å; Q935-G1299 VanDerWaalsContact NE2-N 3.11Å
936	T	75.4	Confident	69.8	Low	80 Å²	80	35.1 Å²	35.1	49%	0.491	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	107.6	164.1	-58.7	0	0	0	0	108.6	V949	T936-V949 HydrophobicContact CG2-CG1 3.81Å
937	R	79.2	Confident	70.2	Confident	11 Å²	11	31.9 Å²	31.9	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	165.4	176.3	-64.8	-61.8	-163.1	128	16.7	109.9	Q935 V949 F950 Y952 R961 F962 D1269	Q935-R937 HydrophobicContact CB-CG 4.03Å; Q935-R937 PolarHBondContact O-N 3.12Å; Q935-R937 VanDerWaalsContact O-N 3.09Å; Q935-R937 VanDerWaalsContact OE1-CZ 3.32Å; R937-V949 CarbonylContact O-C 3.58Å; R937-V949 VanDerWaalsContact O-CA 3.27Å; R937-V949 WeakPolarHBondContact O-CA 3.26Å; R937-F950 HydrophobicContact CB-CD1 4.02Å; R937-F950 HydrophobicContact CB-CE1 3.6Å; R937-F950 HydrophobicContact CB-CZ 4Å; R937-F950 PolarHBondContact N-O 3.48Å; R937-F950 PolarHBondContact O-N 3.09Å; R937-F950 VanDerWaalsContact O-O 3.07Å; R937-Y952 VanDerWaalsContact CG-CB 3.44Å; R937-Y952 HydrophobicContact CG-CD1 3.98Å; R937-Y952 HydrophobicContact CG-CG 4.06Å; R937-R961 HydrophobicContact CB-CG 3.99Å; R937-R961 HydrophobicContact CG-CG 3.79Å; R937-F962 WeakPolarHBondContact CA-O 2.96Å; R937-F962 WeakPolarHBondContact CB-O 3.33Å; R937-D1269 IonicContact CZ-OD1 3.62Å; R937-D1269 IonicContact CZ-OD2 3.34Å; R937-D1269 IonicContact NE-OD1 3.22Å; R937-D1269 PolarHBondContact NE-OD1 2.81Å; R937-D1269 IonicContact NE-OD2 2.78Å; R937-D1269 IonicContact NH1-OD2 3.83Å; R937-D1269 IonicContact NH2-OD1 3.65Å; R937-D1269 IonicContact NH2-OD2 2.72Å; R937-D1269 PolarHBondContact NH2-OD2 3.19Å
938	Y	84.2	Confident	70.4	Confident	43 Å²	43	35.2 Å²	35.2	17%	0.169	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.1	172	-73.9	-117.6	0	0	0	110.2	C947 R948 V949 F962 L963 L964 R965	Y938-C947 HydrophobicContact CD1-CB 4.27Å; Y938-R948 CarbonylContact C-O 2.94Å; Y938-R948 WeakPolarHBondContact CA-O 3.4Å; Y938-V949 HydrophobicContact CD1-CG2 4.12Å; Y938-V949 HydrophobicContact CD2-CG2 4.09Å; Y938-V949 HydrophobicContact CE1-CG2 3.59Å; Y938-V949 HydrophobicContact CE2-CG2 3.63Å; Y938-V949 HydrophobicContact CG-CG2 4.38Å; Y938-F962 PolarHBondContact N-O 3.49Å; Y938-F962 WeakPolarHBondContact O-CA 3.19Å; Y938-F962 WeakPolarHBondContact O-CB 3.29Å; Y938-F962 PolarHBondContact O-N 2.98Å; Y938-L963 WeakPolarHBondContact CD2-O 3.46Å; Y938-L964 HydrophobicContact CD2-CB 3.94Å; Y938-L964 HydrophobicContact CD2-CG 4.41Å; Y938-L964 HydrophobicContact CE2-CB 3.61Å; Y938-L964 HydrophobicContact CE2-CG 3.88Å; Y938-R965 HydrophobicContact CD1-CB 3.7Å; Y938-R965 HydrophobicContact CD1-CG 3.83Å; Y938-R965 HydrophobicContact CE1-CB 3.4Å; Y938-R965 VanDerWaalsContact CE1-CB 3.4Å; Y938-R965 HydrophobicContact CE1-CG 3.65Å; Y938-R965 HydrophobicContact CG-CB 4.44Å
939	F	86.5	Confident	71.5	Confident	20 Å²	20	37.7 Å²	37.7	9%	0.088	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.1	166.9	74.4	-70.7	0	0	0	108.3	K926 D941 C947 R948 F950 N960 C968	K926-F939 HydrophobicContact CB-CB 4.12Å; K926-F939 HydrophobicContact CB-CD1 3.72Å; K926-F939 HydrophobicContact CB-CD2 3.65Å; K926-F939 HydrophobicContact CB-CE1 3.91Å; K926-F939 HydrophobicContact CB-CE2 3.83Å; K926-F939 HydrophobicContact CB-CG 3.59Å; K926-F939 HydrophobicContact CB-CZ 3.96Å; K926-F939 HydrophobicContact CD-CD1 4.44Å; K926-F939 HydrophobicContact CD-CE1 3.92Å; K926-F939 HydrophobicContact CD-CZ 4.02Å; K926-F939 HydrophobicContact CG-CD1 4.44Å; K926-F939 HydrophobicContact CG-CD2 4.38Å; K926-F939 HydrophobicContact CG-CE1 4.13Å; K926-F939 HydrophobicContact CG-CE2 4.03Å; K926-F939 HydrophobicContact CG-CZ 3.91Å; F939-D941 VanDerWaalsContact C-N 3.32Å; F939-D941 HydrophobicContact CD2-CB 4.01Å; F939-D941 VanDerWaalsContact CE2-CA 3.47Å; F939-D941 HydrophobicContact CE2-CB 3.44Å; F939-D941 VanDerWaalsContact CE2-CB 3.44Å; F939-D941 HydrophobicContact CZ-CB 3.75Å; F939-D941 PolarHBondContact O-N 2.86Å; F939-C947 CarbonylContact O-C 3.59Å; F939-C947 WeakPolarHBondContact O-CA 3.06Å; F939-R948 HydrophobicContact CD1-CB 4Å; F939-R948 WeakPolarHBondContact CD1-O 3.24Å; F939-R948 HydrophobicContact CE1-CB 3.54Å; F939-R948 HydrophobicContact CZ-CB 4.11Å; F939-R948 PolarHBondContact N-O 3.28Å; F939-R948 PolarHBondContact O-N 2.9Å; F939-F950 HydrophobicContact CB-CD1 3.87Å; F939-F950 HydrophobicContact CB-CE1 3.8Å; F939-F950 HydrophobicContact CD1-CB 4.01Å; F939-F950 AromaticContact CD1-CD1 3.7Å; F939-F950 HydrophobicContact CD1-CD1 3.7Å; F939-F950 HydrophobicContact CD1-CE1 4.5Å; F939-F950 HydrophobicContact CD1-CG 4.13Å; F939-F950 HydrophobicContact CE1-CB 4.19Å; F939-F950 HydrophobicContact CG-CD1 4.19Å; F939-N960 WeakPolarHBondContact CA-O 3.34Å; F939-N960 WeakPolarHBondContact CA-OD1 3.35Å; F939-N960 WeakPolarHBondContact CB-O 3.2Å; F939-C968 VanDerWaalsContact C-SG 3.59Å
940	Y	86.9	Confident	72.8	Confident	9 Å²	9	37 Å²	37	4%	0.035	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	99.1	162.2	-174.9	-102.3	0	0	0	106.3	C922 S942 S945 N960 C968 C972 F975	C922-Y940 HydrophobicContact CB-CD1 4.12Å; C922-Y940 VanDerWaalsContact O-CD1 3.23Å; C922-Y940 WeakPolarHBondContact O-CD1 3.11Å; Y940-S942 PolarHBondContact O-N 3.02Å; Y940-S945 WeakPolarHBondContact OH-CB 3.35Å; Y940-S945 PolarHBondContact OH-OG 3.2Å; Y940-N960 PolarHBondContact N-OD1 2.88Å; Y940-N960 PolarHBondContact O-ND2 3.45Å; Y940-C968 WeakPolarHBondContact CA-SG 3.48Å; Y940-C968 WeakPolarHBondContact CB-SG 2.98Å; Y940-C968 PolarHBondContact N-SG 2.8Å; Y940-C972 VanDerWaalsContact CB-SG 3.52Å; Y940-C972 HydrophobicContact CD1-CB 4.01Å; Y940-C972 HydrophobicContact CD2-CB 3.17Å; Y940-C972 HydrophobicContact CE1-CB 4.36Å; Y940-C972 HydrophobicContact CE2-CB 3.59Å; Y940-C972 WeakPolarHBondContact CE2-O 3.24Å; Y940-C972 HydrophobicContact CG-CB 3.37Å; Y940-F975 HydrophobicContact CE1-CB 4.3Å
941	D	80.6	Confident	73.9	Confident	12 Å²	12	36 Å²	36	6%	0.064	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	95.9	171.3	176.6	3	0	0	0	107.1	F939 S943 T944 S945 K946 R948	F939-D941 VanDerWaalsContact C-N 3.32Å; F939-D941 HydrophobicContact CD2-CB 4.01Å; F939-D941 VanDerWaalsContact CE2-CA 3.47Å; F939-D941 HydrophobicContact CE2-CB 3.44Å; F939-D941 VanDerWaalsContact CE2-CB 3.44Å; F939-D941 HydrophobicContact CZ-CB 3.75Å; F939-D941 PolarHBondContact O-N 2.86Å; D941-S943 PolarHBondContact O-N 2.7Å; D941-S943 WeakPolarHBondContact OD1-CA 3.3Å; D941-S943 WeakPolarHBondContact OD1-CB 3.42Å; D941-S943 PolarHBondContact OD1-N 2.73Å; D941-S943 PolarHBondContact OD1-OG 2.71Å; D941-S943 PolarHBondContact OD2-OG 2.98Å; D941-T944 WeakPolarHBondContact CB-OG1 3.48Å; D941-T944 CarbonylContact O-C 3.6Å; D941-T944 PolarHBondContact O-N 3.45Å; D941-T944 PolarHBondContact OD1-N 2.9Å; D941-T944 WeakPolarHBondContact OD2-CB 3.4Å; D941-T944 VanDerWaalsContact OD2-CG2 3.28Å; D941-T944 WeakPolarHBondContact OD2-CG2 3.2Å; D941-T944 PolarHBondContact OD2-OG1 2.93Å; D941-S945 PolarHBondContact O-N 2.81Å; D941-K946 PolarHBondContact N-O 3.32Å; D941-R948 HydrophobicContact CB-CB 4.29Å; D941-R948 HydrophobicContact CB-CG 4.15Å; D941-R948 VanDerWaalsContact OD2-CD 3.23Å; D941-R948 WeakPolarHBondContact OD2-CD 3.1Å; D941-R948 IonicContact OD2-CZ 3.84Å; D941-R948 IonicContact OD2-NE 2.74Å; D941-R948 IonicContact OD2-NH1 2.78Å; D941-R948 PolarHBondContact OD2-NH1 2.75Å
942	S	70.4	Confident	74.1	Confident	18 Å²	18	34.9 Å²	34.9	13%	0.126	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-3.6	-176.1	82.8	0	0	0	0	111.7	K677 C922 Q923 Y940	K677-S942 WeakPolarHBondContact CD-O 3.43Å; K677-S942 WeakPolarHBondContact CE-O 3.32Å; K677-S942 WeakPolarHBondContact CE-OG 3.33Å; K677-S942 PolarHBondContact NZ-O 3.01Å; K677-S942 PolarHBondContact NZ-OG 3.39Å; C922-S942 WeakPolarHBondContact O-CB 3.43Å; Q923-S942 PolarHBondContact O-OG 2.92Å; Y940-S942 PolarHBondContact O-N 3.02Å
943	S	67.2	Low	74.2	Confident	28 Å²	28	30.9 Å²	30.9	20%	0.196	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-11.9	167.1	88.7	0	0	0	0	114.6	K681 D941	K681-S943 PolarHBondContact NZ-O 2.68Å; K681-S943 VanDerWaalsContact NZ-O 3.14Å; K681-S943 PolarHBondContact NZ-OG 3.15Å; D941-S943 PolarHBondContact O-N 2.7Å; D941-S943 WeakPolarHBondContact OD1-CA 3.3Å; D941-S943 WeakPolarHBondContact OD1-CB 3.42Å; D941-S943 PolarHBondContact OD1-N 2.73Å; D941-S943 PolarHBondContact OD1-OG 2.71Å; D941-S943 PolarHBondContact OD2-OG 2.98Å
944	T	76.8	Confident	74.1	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	13.8	174.3	63.2	0	0	0	0	113.8	V407 R412 D941 K946 R948	V407-T944 HydrophobicContact CB-CG2 4.17Å; V407-T944 HydrophobicContact CG1-CG2 3.85Å; R412-T944 PolarHBondContact NH1-O 2.84Å; R412-T944 PolarHBondContact NH2-O 3.29Å; D941-T944 WeakPolarHBondContact CB-OG1 3.48Å; D941-T944 CarbonylContact O-C 3.6Å; D941-T944 PolarHBondContact O-N 3.45Å; D941-T944 PolarHBondContact OD1-N 2.9Å; D941-T944 WeakPolarHBondContact OD2-CB 3.4Å; D941-T944 VanDerWaalsContact OD2-CG2 3.28Å; D941-T944 WeakPolarHBondContact OD2-CG2 3.2Å; D941-T944 PolarHBondContact OD2-OG1 2.93Å; T944-K946 WeakPolarHBondContact O-CB 3.28Å; T944-K946 PolarHBondContact O-N 2.99Å; T944-R948 PolarHBondContact OG1-NE 2.76Å
945	S	72.8	Confident	73.4	Confident	34 Å²	34	29 Å²	29	24%	0.238	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	30.5	52.6	-178.6	-64	0	0	0	0	112.6	R412 Y940 D941	R412-S945 PolarHBondContact NH2-O 2.97Å; Y940-S945 WeakPolarHBondContact OH-CB 3.35Å; Y940-S945 PolarHBondContact OH-OG 3.2Å; D941-S945 PolarHBondContact O-N 2.81Å
946	K	78.1	Confident	73	Confident	64 Å²	64	33.2 Å²	33.2	28%	0.278	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	143.5	-176.1	-99.5	-178.3	179.5	-177.6	0	107.1	S408 D941 T944 R948	S408-K946 PolarHBondContact O-NZ 2.94Å; D941-K946 PolarHBondContact N-O 3.32Å; T944-K946 WeakPolarHBondContact O-CB 3.28Å; T944-K946 PolarHBondContact O-N 2.99Å; K946-R948 PolarHBondContact O-N 3.27Å
947	C	84.4	Confident	72.2	Confident	8 Å²	8	30.1 Å²	30.1	5%	0.054	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	111.2	171.8	-64.4	0	0	0	0	108.6	Y938 F939 R965 C968 E969	Y938-C947 HydrophobicContact CD1-CB 4.27Å; F939-C947 CarbonylContact O-C 3.59Å; F939-C947 WeakPolarHBondContact O-CA 3.06Å; C947-R965 HydrophobicContact CB-CG 3.64Å; C947-R965 WeakPolarHBondContact CB-O 3.47Å; C947-C968 WeakPolarHBondContact CA-SG 3.28Å; C947-C968 HydrophobicContact CB-CB 3.56Å; C947-C968 WeakPolarHBondContact CB-SG 3.34Å; C947-C968 WeakPolarHBondContact SG-CB 3.01Å; C947-C968 CovalentContact SG-SG 2.01Å; C947-C968 PolarHBondContact SG-SG 3Å; C947-E969 HydrophobicContact CB-CG 3.86Å; C947-E969 WeakPolarHBondContact SG-CG 3.42Å; C947-E969 PolarHBondContact SG-N 3.08Å
948	R	81.8	Confident	71.6	Confident	97 Å²	97	30.2 Å²	30.2	37%	0.366	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.1	-176.5	-82.7	178.2	151.3	-168	-17.7	109.8	Y938 F939 D941 T944 K946	Y938-R948 CarbonylContact C-O 2.94Å; Y938-R948 WeakPolarHBondContact CA-O 3.4Å; F939-R948 HydrophobicContact CD1-CB 4Å; F939-R948 WeakPolarHBondContact CD1-O 3.24Å; F939-R948 HydrophobicContact CE1-CB 3.54Å; F939-R948 HydrophobicContact CZ-CB 4.11Å; F939-R948 PolarHBondContact N-O 3.28Å; F939-R948 PolarHBondContact O-N 2.9Å; D941-R948 HydrophobicContact CB-CB 4.29Å; D941-R948 HydrophobicContact CB-CG 4.15Å; D941-R948 VanDerWaalsContact OD2-CD 3.23Å; D941-R948 WeakPolarHBondContact OD2-CD 3.1Å; D941-R948 IonicContact OD2-CZ 3.84Å; D941-R948 IonicContact OD2-NE 2.74Å; D941-R948 IonicContact OD2-NH1 2.78Å; D941-R948 PolarHBondContact OD2-NH1 2.75Å; T944-R948 PolarHBondContact OG1-NE 2.76Å; K946-R948 PolarHBondContact O-N 3.27Å
949	V	81.8	Confident	71.1	Confident	75 Å²	75	32.7 Å²	32.7	46%	0.455	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.2	171.3	176.3	0	0	0	0	110.2	T936 R937 Y938	T936-V949 HydrophobicContact CG2-CG1 3.81Å; R937-V949 CarbonylContact O-C 3.58Å; R937-V949 VanDerWaalsContact O-CA 3.27Å; R937-V949 WeakPolarHBondContact O-CA 3.26Å; Y938-V949 HydrophobicContact CD1-CG2 4.12Å; Y938-V949 HydrophobicContact CD2-CG2 4.09Å; Y938-V949 HydrophobicContact CE1-CG2 3.59Å; Y938-V949 HydrophobicContact CE2-CG2 3.63Å; Y938-V949 HydrophobicContact CG-CG2 4.38Å
950	F	82.1	Confident	70.8	Confident	6 Å²	6	31.7 Å²	31.7	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.1	158.6	75.6	-71.3	0	0	0	110.2	K926 D927 P928 R937 F939 Y952 R961	K926-F950 HydrophobicContact CB-CB 4.17Å; K926-F950 HydrophobicContact CB-CD1 4.3Å; K926-F950 HydrophobicContact CB-CD2 3.94Å; K926-F950 HydrophobicContact CB-CE2 4.36Å; K926-F950 HydrophobicContact CB-CG 3.9Å; K926-F950 HydrophobicContact CD-CB 3.59Å; K926-F950 HydrophobicContact CD-CD2 4.38Å; K926-F950 HydrophobicContact CD-CG 4.2Å; D927-F950 WeakPolarHBondContact O-CE2 3.35Å; P928-F950 HydrophobicContact CG-CD2 4.49Å; R937-F950 HydrophobicContact CB-CD1 4.02Å; R937-F950 HydrophobicContact CB-CE1 3.6Å; R937-F950 HydrophobicContact CB-CZ 4Å; R937-F950 PolarHBondContact N-O 3.48Å; R937-F950 PolarHBondContact O-N 3.09Å; R937-F950 VanDerWaalsContact O-O 3.07Å; F939-F950 HydrophobicContact CB-CD1 3.87Å; F939-F950 HydrophobicContact CB-CE1 3.8Å; F939-F950 HydrophobicContact CD1-CB 4.01Å; F939-F950 AromaticContact CD1-CD1 3.7Å; F939-F950 HydrophobicContact CD1-CD1 3.7Å; F939-F950 HydrophobicContact CD1-CE1 4.5Å; F939-F950 HydrophobicContact CD1-CG 4.13Å; F939-F950 HydrophobicContact CE1-CB 4.19Å; F939-F950 HydrophobicContact CG-CD1 4.19Å; F950-Y952 HydrophobicContact CE2-CD2 4.26Å; F950-Y952 HydrophobicContact CE2-CG 4.41Å; F950-Y952 PolarHBondContact O-N 2.88Å; F950-R961 HydrophobicContact CE1-CB 4.47Å; F950-R961 HydrophobicContact CE1-CG 4.39Å; F950-R961 HydrophobicContact CZ-CB 3.99Å; F950-R961 HydrophobicContact CZ-CG 3.91Å
951	L	74.9	Confident	70.6	Confident	69 Å²	69	34.4 Å²	34.4	36%	0.361	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	118.4	165.8	-57	-176.3	0	0	0	107.9	P928 F934	P928-L951 WeakPolarHBondContact CB-O 3.35Å; F934-L951 HydrophobicContact CB-CB 4.3Å; F934-L951 HydrophobicContact CB-CD1 4.4Å; F934-L951 HydrophobicContact CB-CD2 4.37Å; F934-L951 HydrophobicContact CD1-CB 4.01Å; F934-L951 HydrophobicContact CD1-CD1 4.36Å; F934-L951 HydrophobicContact CG-CB 4.42Å; F934-L951 HydrophobicContact CG-CD1 4.27Å
952	Y	62.2	Low	70.6	Confident	8 Å²	8	34.3 Å²	34.3	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.1	168.6	171.8	-118.8	0	0	0	108.2	P928 F934 Q935 R937 F950 G954 C955 R961	P928-Y952 WeakPolarHBondContact O-CD2 3.31Å; F934-Y952 WeakPolarHBondContact CA-O 3.5Å; Q935-Y952 HydrophobicContact CB-CD1 4.31Å; Q935-Y952 PolarHBondContact N-O 3.47Å; Q935-Y952 PolarHBondContact O-N 3.48Å; R937-Y952 VanDerWaalsContact CG-CB 3.44Å; R937-Y952 HydrophobicContact CG-CD1 3.98Å; R937-Y952 HydrophobicContact CG-CG 4.06Å; F950-Y952 HydrophobicContact CE2-CD2 4.26Å; F950-Y952 HydrophobicContact CE2-CG 4.41Å; F950-Y952 PolarHBondContact O-N 2.88Å; Y952-G954 VanDerWaalsContact CD1-CA 3.45Å; Y952-G954 WeakPolarHBondContact CE1-O 3.39Å; Y952-G954 PolarHBondContact O-N 3.45Å; Y952-G954 PolarHBondContact OH-O 3.16Å; Y952-C955 WeakPolarHBondContact OH-CA 3.44Å; Y952-C955 PolarHBondContact OH-N 3.4Å; Y952-R961 HydrophobicContact CD1-CG 4.3Å; Y952-R961 HydrophobicContact CG-CG 4.23Å; Y952-R961 VanDerWaalsContact CZ-CD 3.4Å; Y952-R961 PolarHBondContact OH-NH1 2.94Å
953	G	58.6	Low	70.8	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.01	17%	0.172	C	C	.	.			trans	-65.1	-2	177.4	0	0	0	0	0	114.8	P928 C931 S933 C955	P928-G953 WeakPolarHBondContact O-CA 3.32Å; P928-G953 PolarHBondContact O-N 2.97Å; C931-G953 CarbonylContact C-O 3.46Å; C931-G953 WeakPolarHBondContact CA-O 3.04Å; C931-G953 WeakPolarHBondContact CB-O 3.2Å; C931-G953 CarbonylContact O-C 3.59Å; C931-G953 WeakPolarHBondContact O-CA 3.45Å; S933-G953 WeakPolarHBondContact CB-O 3.37Å; S933-G953 PolarHBondContact N-O 2.99Å; S933-G953 CarbonylContact O-C 3.59Å; S933-G953 WeakPolarHBondContact O-CA 3.22Å; G953-C955 PolarHBondContact O-N 2.61Å
954	G	49.6	Very low	71.1	Confident	4 Å²	4	34.8 Å²	34.8	4%	0.041	18%	0.175	C	C	.	.	S	Bend	trans	103.6	-33.4	160.5	0	0	0	0	0	115.6	Y952 F1298	Y952-G954 VanDerWaalsContact CD1-CA 3.45Å; Y952-G954 WeakPolarHBondContact CE1-O 3.39Å; Y952-G954 PolarHBondContact O-N 3.45Å; Y952-G954 PolarHBondContact OH-O 3.16Å; G954-F1298 VanDerWaalsContact C-CD2 3.47Å; G954-F1298 VanDerWaalsContact CA-CG 3.42Å; G954-F1298 VanDerWaalsContact O-CB 3.28Å; G954-F1298 WeakPolarHBondContact O-CB 2.92Å; G954-F1298 WeakPolarHBondContact O-CD1 3.48Å; G954-F1298 WeakPolarHBondContact O-CG 3.34Å
955	C	50.6	Low	71.3	Confident	18 Å²	18	39.1 Å²	39.1	12%	0.122	19%	0.192	C	C	.	.	S	Bend	trans	-110.1	160.4	171.8	78.2	0	0	0	0	112.5	G929 P930 C931 Y952 G953 G957 F1298	G929-C955 WeakPolarHBondContact CA-O 3.4Å; P930-C955 WeakPolarHBondContact CD-O 3.45Å; C931-C955 HydrophobicContact CB-CB 3.75Å; C931-C955 WeakPolarHBondContact CB-SG 3.37Å; C931-C955 WeakPolarHBondContact SG-CB 3.46Å; C931-C955 CovalentContact SG-SG 2.03Å; C931-C955 PolarHBondContact SG-SG 3.2Å; Y952-C955 WeakPolarHBondContact OH-CA 3.44Å; Y952-C955 PolarHBondContact OH-N 3.4Å; G953-C955 PolarHBondContact O-N 2.61Å; C955-G957 PolarHBondContact O-N 3.2Å; C955-F1298 HydrophobicContact CB-CD1 4.03Å; C955-F1298 HydrophobicContact CB-CE1 3.4Å; C955-F1298 VanDerWaalsContact CB-CE1 3.4Å; C955-F1298 HydrophobicContact CB-CZ 3.75Å
956	L	48.9	Very low	71.2	Confident	92 Å²	92	38.8 Å²	38.8	48%	0.482	19%	0.186	S	C	.	.	S	Bend	trans	47.1	36.2	157.6	-63	170.3	0	0	0	115.8	E879 P930	E879-L956 HydrophobicContact CB-CD2 4.23Å; P930-L956 HydrophobicContact CG-CB 3.98Å; P930-L956 HydrophobicContact CG-CD1 4.2Å
957	G	59.4	Low	70.7	Confident	14 Å²	14	37.5 Å²	37.5	14%	0.144	18%	0.181	C	C	.	.			trans	-101.5	157.5	165.4	0	0	0	0	0	111.9	D927 C955 R961	D927-G957 VanDerWaalsContact OD2-CA 3.28Å; D927-G957 WeakPolarHBondContact OD2-CA 2.98Å; C955-G957 PolarHBondContact O-N 3.2Å; G957-R961 VanDerWaalsContact C-NH1 3.32Å; G957-R961 PolarHBondContact O-NH1 3.39Å
958	N	64.8	Low	70.6	Confident	14 Å²	14	37.1 Å²	37.1	8%	0.075	18%	0.179	C	C	.	.			trans	-68.9	176.8	-177.8	83.8	46.8	0	0	0	114.9	L924 P925 D927 N960 R961	L924-N958 HydrophobicContact CD1-CB 3.99Å; L924-N958 WeakPolarHBondContact CD1-OD1 2.96Å; P925-N958 PolarHBondContact O-ND2 2.86Å; P925-N958 PolarHBondContact O-OD1 3.24Å; D927-N958 HydrophobicContact CB-CB 4.14Å; D927-N958 WeakPolarHBondContact CB-ND2 3.08Å; D927-N958 PolarHBondContact OD2-N 3.12Å; N958-N960 VanDerWaalsContact C-N 3.33Å; N958-N960 PolarHBondContact O-N 2.98Å; N958-N960 WeakPolarHBondContact OD1-CB 3.47Å; N958-N960 PolarHBondContact OD1-N 3.17Å; N958-R961 PolarHBondContact O-NH1 3.31Å; N958-R961 VanDerWaalsContact O-NH1 3.07Å
959	F	74.7	Confident	70.6	Confident	94 Å²	94	35.1 Å²	35.1	41%	0.412	17%	0.173	S	C	.	.	S	Bend	trans	-70	-14.2	-173.4	-73.4	-76.8	0	0	0	116.5	N881 A915 V921 L924 R961	N881-F959 WeakPolarHBondContact ND2-CZ 3.49Å; N881-F959 WeakPolarHBondContact OD1-CE2 3.37Å; A915-F959 HydrophobicContact CB-CD2 4.11Å; A915-F959 HydrophobicContact CB-CE2 4.36Å; V921-F959 HydrophobicContact CB-CB 4.25Å; V921-F959 HydrophobicContact CG1-CB 3.77Å; V921-F959 WeakPolarHBondContact CG1-O 3.1Å; V921-F959 HydrophobicContact CG2-CB 3.79Å; V921-F959 HydrophobicContact CG2-CG 4.31Å; L924-F959 HydrophobicContact CD1-CB 4.06Å; F959-R961 PolarHBondContact O-N 3.44Å
960	N	79.5	Confident	70.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.			trans	-79.5	54.6	175.7	-165	6.1	0	0	0	110.5	V921 L924 F939 Y940 N958 F962	V921-N960 WeakPolarHBondContact O-CB 3.47Å; L924-N960 HydrophobicContact CB-CB 3.89Å; L924-N960 PolarHBondContact O-ND2 3.46Å; F939-N960 WeakPolarHBondContact CA-O 3.34Å; F939-N960 WeakPolarHBondContact CA-OD1 3.35Å; F939-N960 WeakPolarHBondContact CB-O 3.2Å; Y940-N960 PolarHBondContact N-OD1 2.88Å; Y940-N960 PolarHBondContact O-ND2 3.45Å; N958-N960 VanDerWaalsContact C-N 3.33Å; N958-N960 PolarHBondContact O-N 2.98Å; N958-N960 WeakPolarHBondContact OD1-CB 3.47Å; N958-N960 PolarHBondContact OD1-N 3.17Å; N960-F962 WeakPolarHBondContact OD1-CE2 3.07Å
961	R	82.3	Confident	69.7	Low	65 Å²	65	34.9 Å²	34.9	25%	0.245	17%	0.172	C	C	.	.			trans	-137.5	86.5	-175	-177.5	-171.7	59.8	-107.6	7	108.6	R937 F950 Y952 G957 N958 F959	R937-R961 HydrophobicContact CB-CG 3.99Å; R937-R961 HydrophobicContact CG-CG 3.79Å; F950-R961 HydrophobicContact CE1-CB 4.47Å; F950-R961 HydrophobicContact CE1-CG 4.39Å; F950-R961 HydrophobicContact CZ-CB 3.99Å; F950-R961 HydrophobicContact CZ-CG 3.91Å; Y952-R961 HydrophobicContact CD1-CG 4.3Å; Y952-R961 HydrophobicContact CG-CG 4.23Å; Y952-R961 VanDerWaalsContact CZ-CD 3.4Å; Y952-R961 PolarHBondContact OH-NH1 2.94Å; G957-R961 VanDerWaalsContact C-NH1 3.32Å; G957-R961 PolarHBondContact O-NH1 3.39Å; N958-R961 PolarHBondContact O-NH1 3.31Å; N958-R961 VanDerWaalsContact O-NH1 3.07Å; F959-R961 PolarHBondContact O-N 3.44Å
962	F	82.6	Confident	70	Confident	11 Å²	11	31.6 Å²	31.6	5%	0.048	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-89.7	155	170.5	-59.6	-72.3	0	0	0	109.1	V921 R937 Y938 N960 E967 C968 A971 C972	V921-F962 HydrophobicContact CG1-CZ 4.11Å; R937-F962 WeakPolarHBondContact CA-O 2.96Å; R937-F962 WeakPolarHBondContact CB-O 3.33Å; Y938-F962 PolarHBondContact N-O 3.49Å; Y938-F962 WeakPolarHBondContact O-CA 3.19Å; Y938-F962 WeakPolarHBondContact O-CB 3.29Å; Y938-F962 PolarHBondContact O-N 2.98Å; N960-F962 WeakPolarHBondContact OD1-CE2 3.07Å; F962-E967 HydrophobicContact CB-CB 4.05Å; F962-E967 HydrophobicContact CB-CG 4.44Å; F962-E967 HydrophobicContact CD1-CB 4.17Å; F962-E967 HydrophobicContact CD1-CG 3.92Å; F962-C968 HydrophobicContact CB-CB 3.63Å; F962-C968 HydrophobicContact CD1-CB 4.25Å; F962-C968 HydrophobicContact CD2-CB 3.32Å; F962-C968 HydrophobicContact CE2-CB 4.01Å; F962-C968 VanDerWaalsContact CG-CA 3.49Å; F962-C968 HydrophobicContact CG-CB 3.45Å; F962-C968 VanDerWaalsContact CG-CB 3.45Å; F962-A971 HydrophobicContact CD1-CB 4.38Å; F962-A971 HydrophobicContact CE1-CB 3.42Å; F962-A971 VanDerWaalsContact CE1-CB 3.42Å; F962-A971 HydrophobicContact CZ-CB 3.69Å; F962-C972 VanDerWaalsContact CZ-SG 3.55Å
963	L	73.1	Confident	70.3	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.171	C	C	.	.	S	Bend	trans	-77.4	-59.4	-177.6	-174.9	41.3	0	0	0	111.9	Y938 E967 P1267 Y1268 D1269 N1300 I1377	Y938-L963 WeakPolarHBondContact CD2-O 3.46Å; L963-E967 WeakPolarHBondContact CB-OE2 3.46Å; L963-E967 PolarHBondContact N-OE2 3.14Å; L963-P1267 HydrophobicContact CB-CG 4.02Å; L963-P1267 HydrophobicContact CD2-CB 4.06Å; L963-P1267 HydrophobicContact CD2-CG 3.68Å; L963-P1267 VanDerWaalsContact CD2-O 3.29Å; L963-P1267 WeakPolarHBondContact CD2-O 3.41Å; L963-P1267 HydrophobicContact CG-CG 3.99Å; L963-Y1268 WeakPolarHBondContact CD2-O 3.43Å; L963-D1269 HydrophobicContact CD1-CB 4.25Å; L963-D1269 HydrophobicContact CD2-CB 3.64Å; L963-N1300 VanDerWaalsContact CD2-ND2 3.25Å; L963-N1300 WeakPolarHBondContact CD2-ND2 2.96Å; L963-I1377 HydrophobicContact CB-CG2 4.19Å; L963-I1377 HydrophobicContact CG-CG2 4.37Å
964	L	74.3	Confident	70.3	Confident	50 Å²	50	39.5 Å²	39.5	26%	0.262	20%	0.198	S	C	.	.	S	Bend	trans	-129.4	-176.7	162.4	-50.7	63.1	0	0	0	113.5	Y938 K966 E967 I1377	Y938-L964 HydrophobicContact CD2-CB 3.94Å; Y938-L964 HydrophobicContact CD2-CG 4.41Å; Y938-L964 HydrophobicContact CE2-CB 3.61Å; Y938-L964 HydrophobicContact CE2-CG 3.88Å; L964-K966 PolarHBondContact O-N 2.78Å; L964-E967 WeakPolarHBondContact O-CB 3.47Å; L964-E967 PolarHBondContact O-N 3.01Å; L964-E967 VanDerWaalsContact O-N 3.16Å; L964-I1377 HydrophobicContact CB-CB 4.4Å; L964-I1377 HydrophobicContact CB-CG2 3.59Å; L964-I1377 HydrophobicContact CD1-CG2 3.59Å; L964-I1377 WeakPolarHBondContact CD1-O 3.11Å; L964-I1377 WeakPolarHBondContact CD2-O 3.25Å; L964-I1377 HydrophobicContact CG-CG2 4.08Å
965	R	80.3	Confident	70.8	Confident	92 Å²	92	39.8 Å²	39.8	35%	0.347	20%	0.198	S	C	.	.	H	α-helix	trans	-55.7	-48.4	-154.3	-162.9	175.3	156.7	-167.7	-20.8	114.7	Y938 C947 C968 E969	Y938-R965 HydrophobicContact CD1-CB 3.7Å; Y938-R965 HydrophobicContact CD1-CG 3.83Å; Y938-R965 HydrophobicContact CE1-CB 3.4Å; Y938-R965 VanDerWaalsContact CE1-CB 3.4Å; Y938-R965 HydrophobicContact CE1-CG 3.65Å; Y938-R965 HydrophobicContact CG-CB 4.44Å; C947-R965 HydrophobicContact CB-CG 3.64Å; C947-R965 WeakPolarHBondContact CB-O 3.47Å; R965-C968 CarbonylContact O-C 3.58Å; R965-C968 VanDerWaalsContact O-CB 3.28Å; R965-C968 WeakPolarHBondContact O-CB 3.18Å; R965-C968 PolarHBondContact O-N 2.91Å; R965-E969 HydrophobicContact CG-CG 4.4Å; R965-E969 IonicContact CZ-OE1 3.67Å; R965-E969 VanDerWaalsContact CZ-OE1 3.22Å; R965-E969 IonicContact NE-OE1 2.73Å; R965-E969 PolarHBondContact NE-OE1 2.9Å; R965-E969 IonicContact NE-OE2 3.7Å; R965-E969 IonicContact NH2-OE1 2.69Å; R965-E969 PolarHBondContact NH2-OE1 2.82Å; R965-E969 IonicContact NH2-OE2 3.72Å; R965-E969 WeakPolarHBondContact O-CG 3.42Å; R965-E969 PolarHBondContact O-N 3.43Å
966	K	71.3	Confident	70.7	Confident	27 Å²	27	41.3 Å²	41.3	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-87.5	-1.1	-175.4	173.1	-177.3	145.7	-133.3	0	114	L964 E969 L970 V1374 P1375 D1376	L964-K966 PolarHBondContact O-N 2.78Å; K966-E969 HydrophobicContact CB-CB 4.18Å; K966-E969 HydrophobicContact CG-CB 4.32Å; K966-E969 CarbonylContact O-C 3.6Å; K966-E969 PolarHBondContact O-N 3.1Å; K966-L970 HydrophobicContact CG-CD2 4.4Å; K966-L970 HydrophobicContact CG-CG 4.1Å; K966-L970 WeakPolarHBondContact O-CB 3.47Å; K966-L970 WeakPolarHBondContact O-CG 3.27Å; K966-L970 PolarHBondContact O-N 2.02Å; K966-V1374 PolarHBondContact NZ-O 3.21Å; K966-P1375 HydrophobicContact CG-CB 4.33Å; K966-P1375 WeakPolarHBondContact O-CB 3.23Å; K966-D1376 HydrophobicContact CB-CB 3.93Å; K966-D1376 VanDerWaalsContact CB-N 3.3Å; K966-D1376 WeakPolarHBondContact CB-O 2.98Å; K966-D1376 HydrophobicContact CD-CB 3.76Å; K966-D1376 VanDerWaalsContact CD-N 3.29Å; K966-D1376 VanDerWaalsContact CD-OD2 3.24Å; K966-D1376 WeakPolarHBondContact CD-OD2 3.42Å; K966-D1376 HydrophobicContact CG-CB 4.33Å; K966-D1376 VanDerWaalsContact CG-N 3.26Å; K966-D1376 PolarHBondContact N-O 2.67Å; K966-D1376 VanDerWaalsContact N-O 3.14Å; K966-D1376 IonicContact NZ-OD1 3.81Å; K966-D1376 PolarHBondContact NZ-OD1 2.71Å; K966-D1376 IonicContact NZ-OD2 2.74Å; K966-D1376 PolarHBondContact NZ-OD2 2.79Å
967	E	67	Low	70.3	Confident	38 Å²	38	40.3 Å²	40.3	18%	0.178	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-52.3	158.9	-158.2	-171.4	140	0	0	108.7	F962 L963 L964 E969 L970 A971 P1375 I1377	F962-E967 HydrophobicContact CB-CB 4.05Å; F962-E967 HydrophobicContact CB-CG 4.44Å; F962-E967 HydrophobicContact CD1-CB 4.17Å; F962-E967 HydrophobicContact CD1-CG 3.92Å; L963-E967 WeakPolarHBondContact CB-OE2 3.46Å; L963-E967 PolarHBondContact N-OE2 3.14Å; L964-E967 WeakPolarHBondContact O-CB 3.47Å; L964-E967 PolarHBondContact O-N 3.01Å; L964-E967 VanDerWaalsContact O-N 3.16Å; E967-E969 VanDerWaalsContact C-N 3.33Å; E967-E969 PolarHBondContact O-N 2.94Å; E967-L970 PolarHBondContact O-N 2.78Å; E967-L970 VanDerWaalsContact O-N 3.16Å; E967-A971 WeakPolarHBondContact O-CB 3.31Å; E967-A971 PolarHBondContact O-N 3.06Å; E967-P1375 HydrophobicContact CB-CB 4.33Å; E967-I1377 HydrophobicContact CB-CD1 3.39Å; E967-I1377 HydrophobicContact CB-CG1 3.69Å; E967-I1377 HydrophobicContact CG-CD1 3.71Å
968	C	82.8	Confident	69.3	Low	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-41.1	170.8	170.9	0	0	0	0	111.7	F939 Y940 C947 F962 R965 C972	F939-C968 VanDerWaalsContact C-SG 3.59Å; Y940-C968 WeakPolarHBondContact CA-SG 3.48Å; Y940-C968 WeakPolarHBondContact CB-SG 2.98Å; Y940-C968 PolarHBondContact N-SG 2.8Å; C947-C968 WeakPolarHBondContact CA-SG 3.28Å; C947-C968 HydrophobicContact CB-CB 3.56Å; C947-C968 WeakPolarHBondContact CB-SG 3.34Å; C947-C968 WeakPolarHBondContact SG-CB 3.01Å; C947-C968 CovalentContact SG-SG 2.01Å; C947-C968 PolarHBondContact SG-SG 3Å; F962-C968 HydrophobicContact CB-CB 3.63Å; F962-C968 HydrophobicContact CD1-CB 4.25Å; F962-C968 HydrophobicContact CD2-CB 3.32Å; F962-C968 HydrophobicContact CE2-CB 4.01Å; F962-C968 VanDerWaalsContact CG-CA 3.49Å; F962-C968 HydrophobicContact CG-CB 3.45Å; F962-C968 VanDerWaalsContact CG-CB 3.45Å; R965-C968 CarbonylContact O-C 3.58Å; R965-C968 VanDerWaalsContact O-CB 3.28Å; R965-C968 WeakPolarHBondContact O-CB 3.18Å; R965-C968 PolarHBondContact O-N 2.91Å; C968-C972 VanDerWaalsContact O-CA 3.3Å; C968-C972 WeakPolarHBondContact O-CA 3.42Å; C968-C972 WeakPolarHBondContact O-CB 3.35Å; C968-C972 PolarHBondContact O-N 3.49Å
969	E	82	Confident	68	Low	54 Å²	54	46.7 Å²	46.7	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-74.6	-22.4	176.3	-58.9	176.7	161.7	0	0	112.5	C947 R965 K966 E967 S973	C947-E969 HydrophobicContact CB-CG 3.86Å; C947-E969 WeakPolarHBondContact SG-CG 3.42Å; C947-E969 PolarHBondContact SG-N 3.08Å; R965-E969 HydrophobicContact CG-CG 4.4Å; R965-E969 IonicContact CZ-OE1 3.67Å; R965-E969 VanDerWaalsContact CZ-OE1 3.22Å; R965-E969 IonicContact NE-OE1 2.73Å; R965-E969 PolarHBondContact NE-OE1 2.9Å; R965-E969 IonicContact NE-OE2 3.7Å; R965-E969 IonicContact NH2-OE1 2.69Å; R965-E969 PolarHBondContact NH2-OE1 2.82Å; R965-E969 IonicContact NH2-OE2 3.72Å; R965-E969 WeakPolarHBondContact O-CG 3.42Å; R965-E969 PolarHBondContact O-N 3.43Å; K966-E969 HydrophobicContact CB-CB 4.18Å; K966-E969 HydrophobicContact CG-CB 4.32Å; K966-E969 CarbonylContact O-C 3.6Å; K966-E969 PolarHBondContact O-N 3.1Å; E967-E969 VanDerWaalsContact C-N 3.33Å; E967-E969 PolarHBondContact O-N 2.94Å; E969-S973 VanDerWaalsContact O-CA 3.31Å; E969-S973 WeakPolarHBondContact O-CA 3.23Å; E969-S973 WeakPolarHBondContact O-CB 3.47Å; E969-S973 PolarHBondContact O-N 3.25Å; E969-S973 PolarHBondContact O-OG 3.03Å
970	L	73.4	Confident	66	Low	58 Å²	58	44.8 Å²	44.8	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-78.7	-48.7	169.4	-74.6	-164.6	0	0	0	111.6	K966 E967 C972 Y1373 P1375	K966-L970 HydrophobicContact CG-CD2 4.4Å; K966-L970 HydrophobicContact CG-CG 4.1Å; K966-L970 WeakPolarHBondContact O-CB 3.47Å; K966-L970 WeakPolarHBondContact O-CG 3.27Å; K966-L970 PolarHBondContact O-N 2.02Å; E967-L970 PolarHBondContact O-N 2.78Å; E967-L970 VanDerWaalsContact O-N 3.16Å; L970-C972 VanDerWaalsContact C-N 3.28Å; L970-C972 PolarHBondContact O-N 3.21Å; L970-Y1373 HydrophobicContact CD2-CD1 4.47Å; L970-P1375 HydrophobicContact CB-CB 4.26Å; L970-P1375 HydrophobicContact CD1-CB 3.64Å; L970-P1375 HydrophobicContact CD1-CG 3.95Å; L970-P1375 HydrophobicContact CG-CB 3.86Å
971	A	70.9	Confident	63.6	Low	19 Å²	19	48.5 Å²	48.5	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-36.7	177	0	0	0	0	0	112.3	F918 F962 E967	F918-A971 HydrophobicContact CD1-CB 3.92Å; F918-A971 HydrophobicContact CE1-CB 3.98Å; F962-A971 HydrophobicContact CD1-CB 4.38Å; F962-A971 HydrophobicContact CE1-CB 3.42Å; F962-A971 VanDerWaalsContact CE1-CB 3.42Å; F962-A971 HydrophobicContact CZ-CB 3.69Å; E967-A971 WeakPolarHBondContact O-CB 3.31Å; E967-A971 PolarHBondContact O-N 3.06Å
972	C	82.6	Confident	61	Low	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-122.9	3.3	-170.3	-44.7	0	0	0	0	115.9	C922 Y940 F962 C968 L970 Q974 F975 S976	C922-C972 HydrophobicContact CB-CB 3.81Å; C922-C972 WeakPolarHBondContact CB-SG 3.12Å; C922-C972 WeakPolarHBondContact SG-CB 3.41Å; C922-C972 CovalentContact SG-SG 2.03Å; C922-C972 PolarHBondContact SG-SG 3.1Å; Y940-C972 VanDerWaalsContact CB-SG 3.52Å; Y940-C972 HydrophobicContact CD1-CB 4.01Å; Y940-C972 HydrophobicContact CD2-CB 3.17Å; Y940-C972 HydrophobicContact CE1-CB 4.36Å; Y940-C972 HydrophobicContact CE2-CB 3.59Å; Y940-C972 WeakPolarHBondContact CE2-O 3.24Å; Y940-C972 HydrophobicContact CG-CB 3.37Å; F962-C972 VanDerWaalsContact CZ-SG 3.55Å; C968-C972 VanDerWaalsContact O-CA 3.3Å; C968-C972 WeakPolarHBondContact O-CA 3.42Å; C968-C972 WeakPolarHBondContact O-CB 3.35Å; C968-C972 PolarHBondContact O-N 3.49Å; L970-C972 VanDerWaalsContact C-N 3.28Å; L970-C972 PolarHBondContact O-N 3.21Å; C972-Q974 VanDerWaalsContact C-N 3.3Å; C972-F975 HydrophobicContact CB-CB 4.17Å; C972-F975 CarbonylContact O-C 3.4Å; C972-F975 WeakPolarHBondContact O-CA 3.42Å; C972-F975 WeakPolarHBondContact O-CB 3.34Å; C972-F975 PolarHBondContact O-N 3.34Å; C972-S976 PolarHBondContact O-N 3.17Å; C972-S976 VanDerWaalsContact O-N 3.17Å
973	S	67.7	Low	58.4	Low	54 Å²	54	52.2 Å²	52.2	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-73	-27.6	159.5	66	0	0	0	0	111.5	E969 F975 S976 T977	E969-S973 VanDerWaalsContact O-CA 3.31Å; E969-S973 WeakPolarHBondContact O-CA 3.23Å; E969-S973 WeakPolarHBondContact O-CB 3.47Å; E969-S973 PolarHBondContact O-N 3.25Å; E969-S973 PolarHBondContact O-OG 3.03Å; S973-F975 PolarHBondContact O-N 2.83Å; S973-S976 CarbonylContact O-C 3.58Å; S973-S976 VanDerWaalsContact O-C 3.27Å; S973-S976 WeakPolarHBondContact O-CA 3.23Å; S973-S976 WeakPolarHBondContact O-CB 3.06Å; S973-S976 PolarHBondContact O-N 3.43Å; S973-T977 PolarHBondContact O-N 3.36Å
974	Q	59.1	Low	56.2	Low	121 Å²	121	58.1 Å²	58.1	57%	0.565	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.8	165.7	-61.7	-163.9	15.2	0	0	111.1	C972 S976 T977 H978	C972-Q974 VanDerWaalsContact C-N 3.3Å; Q974-S976 PolarHBondContact O-N 3.02Å; Q974-T977 WeakPolarHBondContact CA-OG1 3.27Å; Q974-T977 CarbonylContact O-C 2.95Å; Q974-T977 PolarHBondContact O-N 2.88Å; Q974-T977 PolarHBondContact O-OG1 2.83Å; Q974-H978 WeakPolarHBondContact O-CB 3.41Å; Q974-H978 PolarHBondContact O-N 3.23Å
975	F	58.7	Low	54.2	Low	10 Å²	10	64.9 Å²	64.9	4%	0.044	35%	0.349	C	S	.	.	H	α-helix	trans	-68.6	-20.8	161.5	-82.3	-71	0	0	0	114.4	F918 E919 C922 Y940 C972 S973 T977 I979	F918-F975 VanDerWaalsContact C-CE2 3.4Å; F918-F975 HydrophobicContact CB-CD2 4.38Å; F918-F975 HydrophobicContact CB-CE2 3.65Å; E919-F975 VanDerWaalsContact CA-CE1 3.46Å; E919-F975 HydrophobicContact CB-CE1 3.96Å; E919-F975 HydrophobicContact CB-CZ 3.88Å; E919-F975 HydrophobicContact CG-CE1 3.45Å; E919-F975 VanDerWaalsContact CG-CE1 3.45Å; E919-F975 HydrophobicContact CG-CZ 3.72Å; E919-F975 VanDerWaalsContact N-CZ 3.26Å; E919-F975 VanDerWaalsContact OE1-CE1 3.25Å; E919-F975 WeakPolarHBondContact OE1-CE1 3.37Å; E919-F975 WeakPolarHBondContact OE2-CZ 3.14Å; C922-F975 HydrophobicContact CB-CB 4.14Å; C922-F975 HydrophobicContact CB-CD2 3.67Å; C922-F975 HydrophobicContact CB-CG 3.69Å; C922-F975 WeakPolarHBondContact SG-CD2 3.37Å; Y940-F975 HydrophobicContact CE1-CB 4.3Å; C972-F975 HydrophobicContact CB-CB 4.17Å; C972-F975 CarbonylContact O-C 3.4Å; C972-F975 WeakPolarHBondContact O-CA 3.42Å; C972-F975 WeakPolarHBondContact O-CB 3.34Å; C972-F975 PolarHBondContact O-N 3.34Å; S973-F975 PolarHBondContact O-N 2.83Å; F975-T977 VanDerWaalsContact C-N 3.3Å; F975-I979 HydrophobicContact CD1-CD1 4.1Å; F975-I979 HydrophobicContact CD1-CG1 4.09Å; F975-I979 WeakPolarHBondContact O-CB 3.47Å; F975-I979 VanDerWaalsContact O-CD1 3.3Å; F975-I979 WeakPolarHBondContact O-CD1 3.39Å; F975-I979 VanDerWaalsContact O-CG1 3.24Å; F975-I979 WeakPolarHBondContact O-CG1 3.29Å
976	S	49.9	Very low	51.8	Low	49 Å²	49	66.8 Å²	66.8	34%	0.343	37%	0.371	S	S	.	.	H	α-helix	trans	-84.8	7	166	-161.5	0	0	0	0	114	C972 S973 Q974 L980	C972-S976 PolarHBondContact O-N 3.17Å; C972-S976 VanDerWaalsContact O-N 3.17Å; S973-S976 CarbonylContact O-C 3.58Å; S973-S976 VanDerWaalsContact O-C 3.27Å; S973-S976 WeakPolarHBondContact O-CA 3.23Å; S973-S976 WeakPolarHBondContact O-CB 3.06Å; S973-S976 PolarHBondContact O-N 3.43Å; Q974-S976 PolarHBondContact O-N 3.02Å; S976-L980 WeakPolarHBondContact O-CD1 3.41Å
977	T	39.1	Very low	49.7	Very low	72 Å²	72	74.9 Å²	74.9	44%	0.442	41%	0.406	S	S	.	.	H	α-helix	trans	-131.2	-28.7	173.3	63.5	0	0	0	0	114.9	S973 Q974 F975 L980 S981	S973-T977 PolarHBondContact O-N 3.36Å; Q974-T977 WeakPolarHBondContact CA-OG1 3.27Å; Q974-T977 CarbonylContact O-C 2.95Å; Q974-T977 PolarHBondContact O-N 2.88Å; Q974-T977 PolarHBondContact O-OG1 2.83Å; F975-T977 VanDerWaalsContact C-N 3.3Å; T977-L980 CarbonylContact O-C 3.43Å; T977-L980 VanDerWaalsContact O-CA 3.29Å; T977-L980 WeakPolarHBondContact O-CA 3.32Å; T977-L980 WeakPolarHBondContact O-CB 3.47Å; T977-L980 PolarHBondContact O-N 3.48Å; T977-L980 VanDerWaalsContact O-N 3.14Å; T977-S981 WeakPolarHBondContact O-CB 3.48Å; T977-S981 PolarHBondContact O-N 2.8Å; T977-S981 PolarHBondContact O-OG 3.25Å; T977-S981 VanDerWaalsContact O-OG 3.13Å
978	H	38.4	Very low	47.9	Very low	71 Å²	71	78.2 Å²	78.2	33%	0.329	43%	0.431	S	S	.	.	H	α-helix	trans	-83.1	-28.5	176.3	-93.4	-81.1	0	0	0	114	Q974 L980 S981 T982	Q974-H978 WeakPolarHBondContact O-CB 3.41Å; Q974-H978 PolarHBondContact O-N 3.23Å; H978-L980 PolarHBondContact O-N 3Å; H978-S981 PolarHBondContact O-N 2.69Å; H978-T982 WeakPolarHBondContact ND1-CG2 3.43Å; H978-T982 PolarHBondContact ND1-OG1 3.28Å; H978-T982 PolarHBondContact O-N 3.49Å; H978-T982 PolarHBondContact O-OG1 2.9Å; H978-T982 VanDerWaalsContact O-OG1 3.09Å
979	I	39.3	Very low	45.3	Very low	90 Å²	90	87.7 Å²	87.7	46%	0.462	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-5.3	160.1	-62.2	-179.4	0	0	0	111.3	F975	F975-I979 HydrophobicContact CD1-CD1 4.1Å; F975-I979 HydrophobicContact CD1-CG1 4.09Å; F975-I979 WeakPolarHBondContact O-CB 3.47Å; F975-I979 VanDerWaalsContact O-CD1 3.3Å; F975-I979 WeakPolarHBondContact O-CD1 3.39Å; F975-I979 VanDerWaalsContact O-CG1 3.24Å; F975-I979 WeakPolarHBondContact O-CG1 3.29Å
980	L	31.4	Very low	42.6	Very low	55 Å²	55	93.2 Å²	93.2	29%	0.288	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-10.9	-168.9	-119.3	153.8	0	0	0	113.8	L400 W413 S976 T977 H978	L400-L980 HydrophobicContact CD1-CD2 3.91Å; L400-L980 HydrophobicContact CD1-CG 4.37Å; L400-L980 HydrophobicContact CD2-CD2 3.67Å; L400-L980 HydrophobicContact CG-CD2 4.29Å; W413-L980 HydrophobicContact CB-CD1 3.82Å; W413-L980 HydrophobicContact CB-CD2 3.79Å; W413-L980 HydrophobicContact CB-CG 3.78Å; W413-L980 HydrophobicContact CD2-CD2 3.99Å; W413-L980 HydrophobicContact CG-CD1 3.91Å; W413-L980 HydrophobicContact CG-CD2 3.63Å; W413-L980 HydrophobicContact CG-CG 4.06Å; S976-L980 WeakPolarHBondContact O-CD1 3.41Å; T977-L980 CarbonylContact O-C 3.43Å; T977-L980 VanDerWaalsContact O-CA 3.29Å; T977-L980 WeakPolarHBondContact O-CA 3.32Å; T977-L980 WeakPolarHBondContact O-CB 3.47Å; T977-L980 PolarHBondContact O-N 3.48Å; T977-L980 VanDerWaalsContact O-N 3.14Å; H978-L980 PolarHBondContact O-N 3Å
981	S	28.6	Very low	40.5	Very low	77 Å²	77	98 Å²	98	54%	0.538	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-31.4	-172.4	67.9	0	0	0	0	115.3	T977 H978	T977-S981 WeakPolarHBondContact O-CB 3.48Å; T977-S981 PolarHBondContact O-N 2.8Å; T977-S981 PolarHBondContact O-OG 3.25Å; T977-S981 VanDerWaalsContact O-OG 3.13Å; H978-S981 PolarHBondContact O-N 2.69Å
982	T	27.8	Very low	38.4	Very low	86 Å²	86	102 Å²	102	53%	0.528	55%	0.554	S	S	.	*			trans	-106	77.5	-172.4	37.2	0	0	0	0	113.5	H978	H978-T982 WeakPolarHBondContact ND1-CG2 3.43Å; H978-T982 PolarHBondContact ND1-OG1 3.28Å; H978-T982 PolarHBondContact O-N 3.49Å; H978-T982 PolarHBondContact O-OG1 2.9Å; H978-T982 VanDerWaalsContact O-OG1 3.09Å
983	S	28.2	Very low	35.8	Very low	68 Å²	68	110.5 Å²	110.5	48%	0.476	60%	0.596	S	S	.	*			trans	-149.8	38.3	165.7	57.4	0	0	0	0	114.8
984	N	28	Very low	33.9	Very low	130 Å²	130	116 Å²	116	70%	0.695	62%	0.615	S	S	*	*			trans	-143	79	173.2	-92.2	-37.7	0	0	0	112.2
985	H	32.1	Very low	32.5	Very low	192 Å²	192	118.7 Å²	118.7	89%	0.889	63%	0.628	S	S	*	*			trans	-154.7	119.9	140.9	-105.1	-68.5	0	0	0	111.1
986	T	30.7	Very low	31.1	Very low	132 Å²	132	123.4 Å²	123.4	81%	0.81	66%	0.658	S	S	*	*			trans	-35.5	126.8	176.4	43.1	0	0	0	0	118.6
987	K	25.5	Very low	30.3	Very low	197 Å²	197	129 Å²	129	86%	0.857	68%	0.683	S	S	*	*			trans	-78.3	169.5	139.1	-83.3	-171.3	177.3	-170.5	0	109.9
988	P	30.7	Very low	29.8	Very low	107 Å²	107	130.5 Å²	130.5	70%	0.695	69%	0.692	S	S	*	*			cis	-128.2	-177.9	-32	38.2	-23.6	0	0	0	111.5
989	Q	26.8	Very low	29.4	Very low	200 Å²	200	130.8 Å²	130.8	94%	0.935	71%	0.714	S	S	*	*			trans	-144.4	133.1	147.1	-143.2	169.9	-0.6	0	0	109.4
990	E	25.6	Very low	28.9	Very low	169 Å²	169	135.2 Å²	135.2	79%	0.79	73%	0.726	S	S	*	*			trans	-94.7	142.9	-178.6	-65.5	160.6	129.8	0	0	110
991	N	29.7	Very low	28.8	Very low	160 Å²	160	140.3 Å²	140.3	86%	0.856	75%	0.754	S	S	*	*			trans	-178.4	145.2	139.3	-92.3	-16.8	0	0	0	111.3
992	S	25.9	Very low	28.9	Very low	103 Å²	103	144 Å²	144	72%	0.72	76%	0.762	S	S	*	*			trans	-3.9	146.1	156.4	60.6	0	0	0	0	119.3
993	M	29.3	Very low	29	Very low	177 Å²	177	145 Å²	145	87%	0.872	77%	0.773	S	S	*	*			cis	-143.7	178.9	37	-71.7	168.4	53.4	0	0	114
994	E	27.5	Very low	29.3	Very low	170 Å²	170	147 Å²	147	79%	0.794	78%	0.784	S	S	*	*			trans	-88.1	172	-176.4	-68.6	139.7	121.5	0	0	115.2
995	E	30.4	Very low	29.5	Very low	177 Å²	177	146.2 Å²	146.2	83%	0.827	79%	0.786	S	S	*	*			trans	60.2	151.7	145.9	-83.3	178.9	176.3	0	0	120.9
996	T	28.5	Very low	29.6	Very low	110 Å²	110	141.9 Å²	141.9	68%	0.675	77%	0.769	S	S	*	*			cis	-139	170	-22.8	-22.8	0	0	0	0	107.2
997	L	32.6	Very low	29.9	Very low	167 Å²	167	138.4 Å²	138.4	87%	0.874	75%	0.75	S	S	*	*				-177.2	152.1	81.8	-119.4	162	0	0	0	109.5
998	V	28.1	Very low	30.3	Very low	102 Å²	102	133 Å²	133	62%	0.618	74%	0.743	S	S	*	*			trans	-97.5	133.6	-174.3	178.7	0	0	0	0	111.9	Y1000	V998-Y1000 HydrophobicContact CB-CE2 4.27Å; V998-Y1000 HydrophobicContact CG1-CD2 3.75Å; V998-Y1000 HydrophobicContact CG1-CE2 3.67Å; V998-Y1000 HydrophobicContact CG1-CG 4.43Å
999	G	30.8	Very low	30.5	Very low	77 Å²	77	135.3 Å²	135.3	79%	0.794	74%	0.744	S	S	*	*			trans	-105.8	112.8	163.4	0	0	0	0	0	110.5
1000	Y	29.4	Very low	30.9	Very low	184 Å²	184	128.2 Å²	128.2	72%	0.722	71%	0.714	S	S	*	*			trans	-79.2	149	176.5	-73.2	-104.9	0	0	0	111.3	V998 E1002	V998-Y1000 HydrophobicContact CB-CE2 4.27Å; V998-Y1000 HydrophobicContact CG1-CD2 3.75Å; V998-Y1000 HydrophobicContact CG1-CE2 3.67Å; V998-Y1000 HydrophobicContact CG1-CG 4.43Å; Y1000-E1002 HydrophobicContact CD1-CG 4.04Å
1001	D	29.3	Very low	31.4	Very low	161 Å²	161	124.8 Å²	124.8	86%	0.861	70%	0.697	S	S	*	*			trans	-137	91.8	158.3	-167.3	4.1	0	0	0	108.2	S1003	D1001-S1003 PolarHBondContact O-N 3.03Å
1002	E	30.8	Very low	32	Very low	154 Å²	154	121 Å²	121	72%	0.72	67%	0.674	S	S	*	*			trans	-86.1	103.8	-170.3	-63.8	-162.2	130.9	0	0	111.7	Y1000 P1004	Y1000-E1002 HydrophobicContact CD1-CG 4.04Å; E1002-P1004 VanDerWaalsContact O-CD 3.29Å; E1002-P1004 WeakPolarHBondContact O-CD 3.23Å
1003	S	30.1	Very low	32.6	Very low	107 Å²	107	122.4 Å²	122.4	75%	0.748	67%	0.667	S	S	*	*			trans	-72.3	113.8	162.4	-61	0	0	0	0	109.7	D1001	D1001-S1003 PolarHBondContact O-N 3.03Å
1004	P	33.1	Very low	32.7	Very low	111 Å²	111	114.8 Å²	114.8	72%	0.721	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-67.5	155.2	-169.4	25.9	-35.1	0	0	0	113.4	E1002 L1006	E1002-P1004 VanDerWaalsContact O-CD 3.29Å; E1002-P1004 WeakPolarHBondContact O-CD 3.23Å; P1004-L1006 PolarHBondContact O-N 3.46Å
1005	P	33.5	Very low	33.2	Very low	113 Å²	113	111.9 Å²	111.9	73%	0.734	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-66.6	129.5	-178.7	26.9	-34.2	0	0	0	112.2	S1007	P1005-S1007 PolarHBondContact O-N 3.34Å
1006	L	33.5	Very low	33.8	Very low	102 Å²	102	107.4 Å²	107.4	53%	0.534	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-58.8	124.3	171.9	-68.8	160.9	0	0	0	110.1	P1004 V1010 M1014	P1004-L1006 PolarHBondContact O-N 3.46Å; L1006-V1010 HydrophobicContact CD2-CG1 4.22Å; L1006-M1014 HydrophobicContact CD1-CE 3.96Å
1007	S	37.2	Very low	34.1	Very low	59 Å²	59	105.7 Å²	105.7	41%	0.413	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-66.3	158.3	-173	75.8	0	0	0	0	113.2	P1005 Q1009 V1010 F1011	P1005-S1007 PolarHBondContact O-N 3.34Å; S1007-Q1009 PolarHBondContact O-N 3.25Å; S1007-Q1009 VanDerWaalsContact O-N 3.15Å; S1007-V1010 WeakPolarHBondContact O-CA 3.29Å; S1007-V1010 WeakPolarHBondContact O-CB 3.3Å; S1007-V1010 PolarHBondContact O-N 2.83Å; S1007-F1011 PolarHBondContact O-N 3.43Å; S1007-F1011 VanDerWaalsContact O-N 3.09Å
1008	A	33.1	Very low	34.1	Very low	84 Å²	84	99.8 Å²	99.8	69%	0.694	55%	0.55	S	S	*	*	H	α-helix	trans	-55.8	-32.8	178.6	0	0	0	0	0	113.2	V1010 F1011 E1012	A1008-V1010 VanDerWaalsContact C-N 3.32Å; A1008-V1010 PolarHBondContact O-N 3.31Å; A1008-F1011 PolarHBondContact O-N 3.49Å; A1008-E1012 PolarHBondContact O-N 3.2Å
1009	Q	36.1	Very low	34.5	Very low	154 Å²	154	99.9 Å²	99.9	72%	0.72	54%	0.544	S	S	*	.	H	α-helix	trans	-62.5	-37	173.9	-63.2	179.7	-3.2	0	0	112.5	S1007 K1013	S1007-Q1009 PolarHBondContact O-N 3.25Å; S1007-Q1009 VanDerWaalsContact O-N 3.15Å; Q1009-K1013 WeakPolarHBondContact O-CG 3.13Å; Q1009-K1013 PolarHBondContact O-N 2.92Å; Q1009-K1013 VanDerWaalsContact O-N 3.13Å
1010	V	35.6	Very low	34.7	Very low	52 Å²	52	97.9 Å²	97.9	32%	0.315	51%	0.514	S	S	.	.	H	α-helix	trans	-71.8	-37	174.5	-177.1	0	0	0	0	110.3	L1006 S1007 A1008 K1013 M1014	L1006-V1010 HydrophobicContact CD2-CG1 4.22Å; S1007-V1010 WeakPolarHBondContact O-CA 3.29Å; S1007-V1010 WeakPolarHBondContact O-CB 3.3Å; S1007-V1010 PolarHBondContact O-N 2.83Å; A1008-V1010 VanDerWaalsContact C-N 3.32Å; A1008-V1010 PolarHBondContact O-N 3.31Å; V1010-K1013 WeakPolarHBondContact O-CB 3.46Å; V1010-K1013 PolarHBondContact O-N 3.15Å; V1010-M1014 HydrophobicContact CG1-CE 3.86Å; V1010-M1014 WeakPolarHBondContact O-CG 3.32Å; V1010-M1014 PolarHBondContact O-N 2.94Å
1011	F	34.2	Very low	34.9	Very low	96 Å²	96	90.4 Å²	90.4	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-64.7	-42.4	177.6	-138	-94.9	0	0	0	112.5	S1007 A1008 M1014 K1015	S1007-F1011 PolarHBondContact O-N 3.43Å; S1007-F1011 VanDerWaalsContact O-N 3.09Å; A1008-F1011 PolarHBondContact O-N 3.49Å; F1011-M1014 PolarHBondContact O-N 3.48Å; F1011-K1015 PolarHBondContact O-N 3.5Å
1012	E	42.2	Very low	35.1	Very low	82 Å²	82	83.4 Å²	83.4	38%	0.383	45%	0.448	S	S	.	.	H	α-helix	trans	-68.2	-37.1	174.9	-168.1	60.3	-149.4	0	0	111.6	A1008 M1014 K1015 Q1016	A1008-E1012 PolarHBondContact O-N 3.2Å; E1012-M1014 PolarHBondContact O-N 2.88Å; E1012-K1015 WeakPolarHBondContact O-CB 3.42Å; E1012-K1015 PolarHBondContact O-N 3.48Å; E1012-K1015 VanDerWaalsContact OE1-CE 3.31Å; E1012-K1015 WeakPolarHBondContact OE1-CE 3.39Å; E1012-K1015 IonicContact OE1-NZ 3.62Å; E1012-K1015 PolarHBondContact OE1-NZ 2.96Å; E1012-K1015 WeakPolarHBondContact OE2-CD 3.35Å; E1012-K1015 IonicContact OE2-NZ 3.76Å; E1012-K1015 PolarHBondContact OE2-NZ 2.84Å; E1012-Q1016 WeakPolarHBondContact O-CG 3.44Å; E1012-Q1016 PolarHBondContact O-N 2.75Å
1013	K	39.6	Very low	35.5	Very low	132 Å²	132	80 Å²	80	57%	0.574	44%	0.436	S	S	*	.	H	α-helix	trans	-59.3	-43.2	168.3	-80.1	178.7	175.1	177.9	0	112.3	Q1009 V1010 K1015 Q1016 I1017	Q1009-K1013 WeakPolarHBondContact O-CG 3.13Å; Q1009-K1013 PolarHBondContact O-N 2.92Å; Q1009-K1013 VanDerWaalsContact O-N 3.13Å; V1010-K1013 WeakPolarHBondContact O-CB 3.46Å; V1010-K1013 PolarHBondContact O-N 3.15Å; K1013-K1015 VanDerWaalsContact C-N 3.34Å; K1013-K1015 PolarHBondContact O-N 3.32Å; K1013-Q1016 PolarHBondContact O-N 3.44Å; K1013-I1017 WeakPolarHBondContact O-CB 3.3Å; K1013-I1017 WeakPolarHBondContact O-CD1 3.09Å; K1013-I1017 WeakPolarHBondContact O-CG1 3.34Å; K1013-I1017 PolarHBondContact O-N 3.18Å
1014	M	31.3	Very low	36	Very low	16 Å²	16	75.9 Å²	75.9	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-63	-38.9	176.8	-72.9	-172	-171.9	0	0	112.4	L1006 V1010 F1011 E1012 I1017 T1018 M1219	L1006-M1014 HydrophobicContact CD1-CE 3.96Å; V1010-M1014 HydrophobicContact CG1-CE 3.86Å; V1010-M1014 WeakPolarHBondContact O-CG 3.32Å; V1010-M1014 PolarHBondContact O-N 2.94Å; F1011-M1014 PolarHBondContact O-N 3.48Å; E1012-M1014 PolarHBondContact O-N 2.88Å; M1014-I1017 PolarHBondContact O-N 3.45Å; M1014-T1018 WeakPolarHBondContact O-CB 3.14Å; M1014-T1018 PolarHBondContact O-N 3.09Å; M1014-T1018 PolarHBondContact O-OG1 3.24Å; M1014-M1219 HydrophobicContact CE-CB 3.53Å; M1014-M1219 HydrophobicContact CE-CG 3.72Å; M1014-M1219 HydrophobicContact CE-SD 4.05Å; M1014-M1219 HydrophobicContact CG-CE 4.37Å; M1014-M1219 HydrophobicContact CG-CG 4.4Å; M1014-M1219 HydrophobicContact CG-SD 4.37Å; M1014-M1219 HydrophobicContact SD-CB 4.32Å; M1014-M1219 HydrophobicContact SD-CG 4.07Å
1015	K	38.2	Very low	36.5	Very low	110 Å²	110	72.2 Å²	72.2	48%	0.478	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-48	174.7	172.2	175.8	152.9	-143.9	0	111.4	F1011 E1012 K1013 T1018 Q1019	F1011-K1015 PolarHBondContact O-N 3.5Å; E1012-K1015 WeakPolarHBondContact O-CB 3.42Å; E1012-K1015 PolarHBondContact O-N 3.48Å; E1012-K1015 VanDerWaalsContact OE1-CE 3.31Å; E1012-K1015 WeakPolarHBondContact OE1-CE 3.39Å; E1012-K1015 IonicContact OE1-NZ 3.62Å; E1012-K1015 PolarHBondContact OE1-NZ 2.96Å; E1012-K1015 WeakPolarHBondContact OE2-CD 3.35Å; E1012-K1015 IonicContact OE2-NZ 3.76Å; E1012-K1015 PolarHBondContact OE2-NZ 2.84Å; K1013-K1015 VanDerWaalsContact C-N 3.34Å; K1013-K1015 PolarHBondContact O-N 3.32Å; K1015-T1018 PolarHBondContact O-N 2.8Å; K1015-Q1019 WeakPolarHBondContact O-CB 3.18Å; K1015-Q1019 PolarHBondContact O-N 2.05Å
1016	Q	42	Very low	37	Very low	83 Å²	83	68.5 Å²	68.5	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-51.6	173.3	-69.8	173.5	-1.2	0	0	111.6	E1012 K1013 T1018 Q1019 H1020	E1012-Q1016 WeakPolarHBondContact O-CG 3.44Å; E1012-Q1016 PolarHBondContact O-N 2.75Å; K1013-Q1016 PolarHBondContact O-N 3.44Å; Q1016-T1018 PolarHBondContact O-N 2.89Å; Q1016-Q1019 PolarHBondContact O-N 2.95Å; Q1016-H1020 WeakPolarHBondContact O-CB 3.46Å; Q1016-H1020 PolarHBondContact O-N 3.21Å
1017	I	35.7	Very low	37.9	Very low	74 Å²	74	65.1 Å²	65.1	38%	0.379	33%	0.331	S	S	.	.	H	α-helix	trans	-55.7	-47.4	178.9	-71.2	163.4	0	0	0	111.7	K1013 M1014 H1020 H1021 M1219	K1013-I1017 WeakPolarHBondContact O-CB 3.3Å; K1013-I1017 WeakPolarHBondContact O-CD1 3.09Å; K1013-I1017 WeakPolarHBondContact O-CG1 3.34Å; K1013-I1017 PolarHBondContact O-N 3.18Å; M1014-I1017 PolarHBondContact O-N 3.45Å; I1017-H1020 PolarHBondContact O-N 2.96Å; I1017-H1021 PolarHBondContact O-N 3.13Å; I1017-M1219 HydrophobicContact CD1-CE 4.08Å; I1017-M1219 HydrophobicContact CG2-CE 4.19Å
1018	T	31.7	Very low	38.5	Very low	42 Å²	42	63.4 Å²	63.4	26%	0.258	32%	0.318	S	S	.	.	H	α-helix	trans	-66.1	-43	-177.2	-58.3	0	0	0	0	111.9	M1014 K1015 Q1016 T1022	M1014-T1018 WeakPolarHBondContact O-CB 3.14Å; M1014-T1018 PolarHBondContact O-N 3.09Å; M1014-T1018 PolarHBondContact O-OG1 3.24Å; K1015-T1018 PolarHBondContact O-N 2.8Å; Q1016-T1018 PolarHBondContact O-N 2.89Å; T1018-T1022 PolarHBondContact O-OG1 3.17Å
1019	Q	36.8	Very low	39.6	Very low	105 Å²	105	62.4 Å²	62.4	49%	0.491	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-49.9	177.5	-168.9	161.7	-20.6	0	0	110	K1015 Q1016 H1021 T1022 L1158	K1015-Q1019 WeakPolarHBondContact O-CB 3.18Å; K1015-Q1019 PolarHBondContact O-N 2.05Å; Q1016-Q1019 PolarHBondContact O-N 2.95Å; Q1019-H1021 PolarHBondContact O-N 3.45Å; Q1019-T1022 VanDerWaalsContact O-CB 3.27Å; Q1019-T1022 WeakPolarHBondContact O-CB 3.42Å; Q1019-T1022 PolarHBondContact O-N 3.18Å; Q1019-T1022 PolarHBondContact O-OG1 2.74Å; Q1019-L1158 HydrophobicContact CG-CD1 4.4Å; Q1019-L1158 HydrophobicContact CG-CD2 4.2Å
1020	H	35.1	Very low	41.1	Very low	35 Å²	35	55 Å²	55	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-38.4	-175.5	-158.9	2.7	0	0	0	113.1	Q1016 I1017 T1022 D1023 R1024 Q1121	Q1016-H1020 WeakPolarHBondContact O-CB 3.46Å; Q1016-H1020 PolarHBondContact O-N 3.21Å; I1017-H1020 PolarHBondContact O-N 2.96Å; H1020-T1022 PolarHBondContact O-N 2.78Å; H1020-D1023 PolarHBondContact O-N 3.29Å; H1020-R1024 PolarHBondContact CD2-NH2 3.38Å; H1020-R1024 PolarHBondContact CE1-NE 3.27Å; H1020-R1024 VanDerWaalsContact CE1-NE 3.27Å; H1020-R1024 PolarHBondContact CE1-NH2 3.16Å; H1020-R1024 VanDerWaalsContact CG-CZ 3.43Å; H1020-R1024 PolarHBondContact ND1-NE 3.47Å; H1020-R1024 VanDerWaalsContact ND1-NE 3.12Å; H1020-R1024 PolarHBondContact NE2-NH2 3.44Å; H1020-R1024 WeakPolarHBondContact O-CD 3.38Å; H1020-R1024 WeakPolarHBondContact O-CG 3.27Å; H1020-Q1121 PolarHBondContact CD2-OE1 3.29Å; H1020-Q1121 VanDerWaalsContact NE2-CB 3.35Å; H1020-Q1121 WeakPolarHBondContact NE2-CB 3.47Å
1021	H	34.7	Very low	42.4	Very low	26 Å²	26	55.6 Å²	55.6	12%	0.12	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-24.7	177	-141	-81.5	0	0	0	112	I1017 Q1019 D1023 R1024 Y1025 R1160 S1184 V1212 F1214	I1017-H1021 PolarHBondContact O-N 3.13Å; Q1019-H1021 PolarHBondContact O-N 3.45Å; H1021-D1023 PolarHBondContact O-N 3.29Å; H1021-R1024 WeakPolarHBondContact O-CB 3.27Å; H1021-R1024 PolarHBondContact O-N 3.11Å; H1021-Y1025 AromaticContact CE1-CE2 3.89Å; H1021-R1160 PolarHBondContact O-NH2 3.06Å; H1021-S1184 PolarHBondContact NE2-OG 3.09Å; H1021-V1212 PolarHBondContact CE1-O 3.49Å; H1021-V1212 PolarHBondContact ND1-O 3.44Å; H1021-F1214 VanDerWaalsContact C-CE1 3.41Å; H1021-F1214 HydrophobicContact CB-CE1 3.7Å; H1021-F1214 HydrophobicContact CB-CZ 3.8Å; H1021-F1214 AromaticContact ND1-CZ 3.7Å; H1021-F1214 WeakPolarHBondContact O-CZ 3.44Å
1022	T	33.5	Very low	43.6	Very low	14 Å²	14	52.4 Å²	52.4	9%	0.086	25%	0.254	C	S	.	.	H	α-helix	trans	-72.5	-31.7	-171.8	-34	0	0	0	0	113	T1018 Q1019 H1020 R1024 L1158 R1160 F1214	T1018-T1022 PolarHBondContact O-OG1 3.17Å; Q1019-T1022 VanDerWaalsContact O-CB 3.27Å; Q1019-T1022 WeakPolarHBondContact O-CB 3.42Å; Q1019-T1022 PolarHBondContact O-N 3.18Å; Q1019-T1022 PolarHBondContact O-OG1 2.74Å; H1020-T1022 PolarHBondContact O-N 2.78Å; T1022-R1024 VanDerWaalsContact C-N 3.32Å; T1022-L1158 HydrophobicContact CG2-CB 3.99Å; T1022-L1158 HydrophobicContact CG2-CD2 3.93Å; T1022-L1158 HydrophobicContact CG2-CG 3.74Å; T1022-L1158 WeakPolarHBondContact OG1-CD2 3.48Å; T1022-R1160 HydrophobicContact CG2-CG 4.01Å; T1022-R1160 VanDerWaalsContact O-CZ 3.25Å; T1022-R1160 PolarHBondContact O-NE 3.24Å; T1022-R1160 PolarHBondContact O-NH2 2.76Å; T1022-F1214 HydrophobicContact CG2-CD1 4.07Å; T1022-F1214 HydrophobicContact CG2-CE1 3.96Å; T1022-F1214 HydrophobicContact CG2-CZ 4.48Å; T1022-F1214 VanDerWaalsContact OG1-CE1 3.25Å; T1022-F1214 WeakPolarHBondContact OG1-CE1 3.15Å
1023	D	38.3	Very low	44.4	Very low	84 Å²	84	51.3 Å²	51.3	45%	0.449	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.1	-175.9	-50	-41.7	0	0	0	111.8	H1020 H1021	H1020-D1023 PolarHBondContact O-N 3.29Å; H1021-D1023 PolarHBondContact O-N 3.29Å
1024	R	41.6	Very low	45.3	Very low	19 Å²	19	47.4 Å²	47.4	7%	0.072	24%	0.239	C	C	.	.	S	Bend	trans	-97.8	-16.7	-162.8	-85.4	177.6	163.2	-169.2	-15.8	117.8	H1020 H1021 T1022 A1181 T1182	H1020-R1024 PolarHBondContact CD2-NH2 3.38Å; H1020-R1024 PolarHBondContact CE1-NE 3.27Å; H1020-R1024 VanDerWaalsContact CE1-NE 3.27Å; H1020-R1024 PolarHBondContact CE1-NH2 3.16Å; H1020-R1024 VanDerWaalsContact CG-CZ 3.43Å; H1020-R1024 PolarHBondContact ND1-NE 3.47Å; H1020-R1024 VanDerWaalsContact ND1-NE 3.12Å; H1020-R1024 PolarHBondContact NE2-NH2 3.44Å; H1020-R1024 WeakPolarHBondContact O-CD 3.38Å; H1020-R1024 WeakPolarHBondContact O-CG 3.27Å; H1021-R1024 WeakPolarHBondContact O-CB 3.27Å; H1021-R1024 PolarHBondContact O-N 3.11Å; T1022-R1024 VanDerWaalsContact C-N 3.32Å; R1024-A1181 WeakPolarHBondContact CG-O 3.32Å; R1024-A1181 PolarHBondContact NE-O 2.91Å; R1024-A1181 VanDerWaalsContact NH2-C 3.34Å; R1024-A1181 PolarHBondContact NH2-O 3.39Å; R1024-T1182 HydrophobicContact CB-CG2 3.43Å; R1024-T1182 VanDerWaalsContact CB-CG2 3.43Å; R1024-T1182 HydrophobicContact CG-CG2 3.52Å; R1024-T1182 VanDerWaalsContact CZ-CA 3.42Å
1025	Y	42.5	Very low	46.4	Very low	35 Å²	35	49.6 Å²	49.6	14%	0.137	26%	0.256	C	S	.	.			trans	-139.7	74.5	-174.2	-69	-100.6	0	0	0	109.4	H1021 W1027 R1160 T1182 S1184 A1185	H1021-Y1025 AromaticContact CE1-CE2 3.89Å; Y1025-W1027 AromaticContact CD1-CE2 3.63Å; Y1025-W1027 HydrophobicContact CD1-CH2 4.02Å; Y1025-W1027 AromaticContact CD1-CZ2 3.22Å; Y1025-W1027 HydrophobicContact CD1-CZ2 3.22Å; Y1025-W1027 AromaticContact CD1-NE1 3.79Å; Y1025-W1027 HydrophobicContact CE1-CH2 4.18Å; Y1025-W1027 AromaticContact CE1-CZ2 3.48Å; Y1025-W1027 HydrophobicContact CE1-CZ2 3.48Å; Y1025-W1027 VanDerWaalsContact CE1-CZ2 3.48Å; Y1025-W1027 HydrophobicContact CG-CZ2 4.1Å; Y1025-R1160 PolarHBondContact O-NH1 3.3Å; Y1025-R1160 PolarHBondContact O-NH2 3.5Å; Y1025-R1160 VanDerWaalsContact O-NH2 3.1Å; Y1025-T1182 HydrophobicContact CD2-CG2 4.31Å; Y1025-T1182 HydrophobicContact CE2-CG2 3.61Å; Y1025-S1184 WeakPolarHBondContact CE2-OG 3.37Å; Y1025-S1184 WeakPolarHBondContact OH-CA 3.23Å; Y1025-S1184 WeakPolarHBondContact OH-CB 3.15Å; Y1025-S1184 PolarHBondContact OH-O 2.96Å; Y1025-S1184 PolarHBondContact OH-OG 3.04Å; Y1025-A1185 PolarHBondContact OH-N 3.17Å; Y1025-A1185 VanDerWaalsContact OH-N 3.09Å
1026	P	45	Very low	47	Very low	35 Å²	35	51.7 Å²	51.7	23%	0.227	26%	0.262	C	S	.	.			trans	-82.6	-18.7	-179.4	34.3	-36.6	0	0	0	112.9	D1028 I1029 V1093	P1026-D1028 VanDerWaalsContact C-N 3.32Å; P1026-D1028 PolarHBondContact O-N 3.01Å; P1026-I1029 WeakPolarHBondContact O-CB 3.36Å; P1026-V1093 HydrophobicContact CB-CG1 3.91Å; P1026-V1093 HydrophobicContact CG-CG1 4.4Å; P1026-V1093 VanDerWaalsContact O-CG1 3.31Å; P1026-V1093 WeakPolarHBondContact O-CG1 3.12Å
1027	W	50.6	Low	47.1	Very low	30 Å²	30	47.9 Å²	47.9	11%	0.114	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-74.9	-13.9	-172.9	54.7	67.4	0	0	0	114.9	Y1025 I1029 C1030 G1166 V1167	Y1025-W1027 AromaticContact CD1-CE2 3.63Å; Y1025-W1027 HydrophobicContact CD1-CH2 4.02Å; Y1025-W1027 AromaticContact CD1-CZ2 3.22Å; Y1025-W1027 HydrophobicContact CD1-CZ2 3.22Å; Y1025-W1027 AromaticContact CD1-NE1 3.79Å; Y1025-W1027 HydrophobicContact CE1-CH2 4.18Å; Y1025-W1027 AromaticContact CE1-CZ2 3.48Å; Y1025-W1027 HydrophobicContact CE1-CZ2 3.48Å; Y1025-W1027 VanDerWaalsContact CE1-CZ2 3.48Å; Y1025-W1027 HydrophobicContact CG-CZ2 4.1Å; W1027-I1029 PolarHBondContact O-N 2.87Å; W1027-C1030 WeakPolarHBondContact O-CB 3.3Å; W1027-C1030 PolarHBondContact O-N 3.3Å; W1027-C1030 PolarHBondContact O-SG 3.1Å; W1027-G1166 VanDerWaalsContact CB-O 3.29Å; W1027-G1166 WeakPolarHBondContact CB-O 3.38Å; W1027-G1166 VanDerWaalsContact CD1-O 3.27Å; W1027-V1167 HydrophobicContact CZ2-CG2 4.31Å
1028	D	50.6	Low	47.6	Very low	23 Å²	23	46.4 Å²	46.4	12%	0.123	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61	-35.9	176.9	-61.8	-35.5	0	0	0	110.2	P1026 C1030 L1031 R1160 W1164 L1165	P1026-D1028 VanDerWaalsContact C-N 3.32Å; P1026-D1028 PolarHBondContact O-N 3.01Å; D1028-C1030 PolarHBondContact O-N 2.79Å; D1028-L1031 PolarHBondContact O-N 3.44Å; D1028-R1160 IonicContact OD2-NH1 3.69Å; D1028-W1164 CarbonylContact C-O 3.07Å; D1028-W1164 WeakPolarHBondContact CA-O 3.38Å; D1028-W1164 WeakPolarHBondContact CB-O 3.25Å; D1028-W1164 WeakPolarHBondContact OD1-CA 3.49Å; D1028-L1165 PolarHBondContact OD1-N 3.17Å
1029	I	56.3	Low	48.2	Very low	63 Å²	63	45.4 Å²	45.4	32%	0.323	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-53.3	-23.7	173.1	-64.4	175	0	0	0	112.6	P1026 W1027 L1031 G1081 N1082 F1084	P1026-I1029 WeakPolarHBondContact O-CB 3.36Å; W1027-I1029 PolarHBondContact O-N 2.87Å; I1029-L1031 VanDerWaalsContact C-N 3.32Å; I1029-L1031 PolarHBondContact O-N 3.26Å; I1029-G1081 VanDerWaalsContact CG2-O 3.31Å; I1029-G1081 WeakPolarHBondContact CG2-O 3.25Å; I1029-N1082 WeakPolarHBondContact O-CA 3.21Å; I1029-N1082 WeakPolarHBondContact O-CB 3.07Å; I1029-N1082 PolarHBondContact O-N 3.38Å; I1029-F1084 HydrophobicContact CB-CZ 4.47Å; I1029-F1084 HydrophobicContact CG2-CE1 4.33Å; I1029-F1084 HydrophobicContact CG2-CE2 4.3Å; I1029-F1084 HydrophobicContact CG2-CZ 3.7Å
1030	C	68	Low	48.5	Very low	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-76	-12.5	-179.4	-50.8	0	0	0	0	114.7	W1027 D1028 Y1062 N1082 V1093 C1094 L1098	W1027-C1030 WeakPolarHBondContact O-CB 3.3Å; W1027-C1030 PolarHBondContact O-N 3.3Å; W1027-C1030 PolarHBondContact O-SG 3.1Å; D1028-C1030 PolarHBondContact O-N 2.79Å; C1030-Y1062 HydrophobicContact CB-CD1 4.42Å; C1030-N1082 PolarHBondContact O-ND2 3.48Å; C1030-V1093 PolarHBondContact SG-O 3.34Å; C1030-C1094 VanDerWaalsContact CA-SG 3.52Å; C1030-C1094 HydrophobicContact CB-CB 3.62Å; C1030-C1094 WeakPolarHBondContact CB-SG 3.45Å; C1030-C1094 WeakPolarHBondContact SG-CA 3.4Å; C1030-C1094 WeakPolarHBondContact SG-CB 3.49Å; C1030-C1094 CovalentContact SG-SG 2.02Å; C1030-C1094 PolarHBondContact SG-SG 2.72Å; C1030-L1098 HydrophobicContact CB-CD1 3.74Å
1031	L	62.7	Low	49	Very low	63 Å²	63	47.4 Å²	47.4	33%	0.33	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-25.6	173.7	-71.2	-158.5	0	0	0	113.9	D1028 I1029 L1165	D1028-L1031 PolarHBondContact O-N 3.44Å; I1029-L1031 VanDerWaalsContact C-N 3.32Å; I1029-L1031 PolarHBondContact O-N 3.26Å; L1031-L1165 HydrophobicContact CD1-CB 3.65Å; L1031-L1165 VanDerWaalsContact CD1-N 3.28Å; L1031-L1165 HydrophobicContact CG-CB 4.39Å; L1031-L1165 WeakPolarHBondContact CG-O 3.35Å
1032	D	58.4	Low	49.2	Very low	30 Å²	30	50 Å²	50	16%	0.16	27%	0.273	C	S	.	.	S	Bend	trans	-58.1	154.2	-179.1	-81.2	-49.6	0	0	0	111.4	G1081 N1082	D1032-G1081 VanDerWaalsContact CB-CA 3.46Å; D1032-G1081 VanDerWaalsContact OD2-CA 3.3Å; D1032-G1081 WeakPolarHBondContact OD2-CA 3.48Å; D1032-N1082 HydrophobicContact CB-CB 4.07Å; D1032-N1082 WeakPolarHBondContact O-CB 3.24Å; D1032-N1082 PolarHBondContact O-ND2 3.3Å
1033	S	59	Low	49.2	Very low	59 Å²	59	53.1 Å²	53.1	41%	0.413	31%	0.308	S	S	.	.			trans	-75.7	131.2	171.4	-165.6	0	0	0	0	110	S1035 Y1036	S1033-S1035 PolarHBondContact O-N 2.81Å; S1033-S1035 VanDerWaalsContact O-N 3.11Å; S1033-S1035 PolarHBondContact OG-OG 3.07Å; S1033-Y1036 WeakPolarHBondContact O-CD2 3.26Å; S1033-Y1036 PolarHBondContact O-N 3.13Å
1034	H	59.3	Low	48.8	Very low	50 Å²	50	53 Å²	53	23%	0.231	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-58.8	-23.7	174.5	68.3	-108.2	0	0	0	112.7	Y1036 G1037 Y1061 Y1072	H1034-Y1036 PolarHBondContact O-N 2.76Å; H1034-Y1036 VanDerWaalsContact O-N 3.08Å; H1034-G1037 PolarHBondContact O-N 3.32Å; H1034-Y1061 HydrophobicContact CB-CD1 3.81Å; H1034-Y1061 HydrophobicContact CB-CD2 3.78Å; H1034-Y1061 HydrophobicContact CB-CG 3.38Å; H1034-Y1061 AromaticContact CE1-CE1 3.69Å; H1034-Y1061 AromaticContact CE1-CE2 3.67Å; H1034-Y1061 AromaticContact CE1-CZ 3.4Å; H1034-Y1061 VanDerWaalsContact CE1-CZ 3.4Å; H1034-Y1061 AromaticContact CG-CD1 3.7Å; H1034-Y1061 AromaticContact CG-CD2 3.79Å; H1034-Y1061 AromaticContact CG-CE1 3.95Å; H1034-Y1061 AromaticContact CG-CG 3.63Å; H1034-Y1061 AromaticContact ND1-CD1 3.62Å; H1034-Y1061 AromaticContact ND1-CD2 3.21Å; H1034-Y1061 WeakPolarHBondContact ND1-CD2 3.05Å; H1034-Y1061 AromaticContact ND1-CE1 3.49Å; H1034-Y1061 WeakPolarHBondContact ND1-CE1 2.99Å; H1034-Y1061 AromaticContact ND1-CE2 3.07Å; H1034-Y1061 WeakPolarHBondContact ND1-CE2 3.41Å; H1034-Y1061 AromaticContact ND1-CG 3.5Å; H1034-Y1061 AromaticContact ND1-CZ 3.24Å; H1034-Y1072 HydrophobicContact CB-CE1 4.25Å; H1034-Y1072 HydrophobicContact CB-CE2 4.49Å; H1034-Y1072 PolarHBondContact O-OH 3.46Å
1035	S	55.1	Low	48.2	Very low	62 Å²	62	60.9 Å²	60.9	43%	0.434	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-53.9	-24.1	176	-47.4	0	0	0	0	113.7	S1033 G1037 T1038	S1033-S1035 PolarHBondContact O-N 2.81Å; S1033-S1035 VanDerWaalsContact O-N 3.11Å; S1033-S1035 PolarHBondContact OG-OG 3.07Å; S1035-G1037 PolarHBondContact O-N 3.4Å; S1035-T1038 PolarHBondContact O-N 3.46Å; S1035-T1038 PolarHBondContact O-OG1 3.05Å
1036	Y	49.5	Very low	47.6	Very low	154 Å²	154	70.1 Å²	70.1	60%	0.604	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-62.5	-17.5	172.4	-80.1	-71.4	0	0	0	113.3	S1033 H1034 G1078	S1033-Y1036 WeakPolarHBondContact O-CD2 3.26Å; S1033-Y1036 PolarHBondContact O-N 3.13Å; H1034-Y1036 PolarHBondContact O-N 2.76Å; H1034-Y1036 VanDerWaalsContact O-N 3.08Å; Y1036-G1078 CarbonylContact O-C 3.57Å; Y1036-G1078 VanDerWaalsContact O-C 3.26Å; Y1036-G1078 VanDerWaalsContact O-CA 3.32Å; Y1036-G1078 WeakPolarHBondContact O-CA 3.28Å
1037	G	43.7	Very low	46.9	Very low	2 Å²	2	77.1 Å²	77.1	2%	0.021	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-96.8	-10.7	178.8	0	0	0	0	0	116.2	H1034 S1035 Y1074 C1077	H1034-G1037 PolarHBondContact O-N 3.32Å; S1035-G1037 PolarHBondContact O-N 3.4Å; G1037-Y1074 WeakPolarHBondContact O-CD2 3.09Å; G1037-Y1074 WeakPolarHBondContact O-CE2 3.4Å; G1037-C1077 CarbonylContact C-O 3.58Å; G1037-C1077 VanDerWaalsContact C-O 3.28Å; G1037-C1077 VanDerWaalsContact CA-O 3.25Å; G1037-C1077 WeakPolarHBondContact CA-O 3.47Å
1038	T	46.8	Very low	45.7	Very low	43 Å²	43	81.4 Å²	81.4	26%	0.264	46%	0.459	S	S	.	.			trans	-108.2	103.6	-168.8	48.8	0	0	0	0	112.9	S1035 Y1072	S1035-T1038 PolarHBondContact O-N 3.46Å; S1035-T1038 PolarHBondContact O-OG1 3.05Å; T1038-Y1072 HydrophobicContact CG2-CD2 3.5Å; T1038-Y1072 HydrophobicContact CG2-CE2 3.67Å
1039	C	45.6	Very low	44.6	Very low	22 Å²	22	87.2 Å²	87.2	15%	0.149	50%	0.496	C	S	.	.			trans	-70.5	133.2	154.7	-85.7	0	0	0	0	109.4	H729 L1041 T1075 C1077	H729-C1039 PolarHBondContact CD2-SG 2.78Å; H729-C1039 VanDerWaalsContact CG-SG 3.55Å; C1039-L1041 PolarHBondContact O-N 3.47Å; C1039-T1075 WeakPolarHBondContact CA-OG1 3.3Å; C1039-T1075 WeakPolarHBondContact CB-OG1 3.38Å; C1039-T1075 PolarHBondContact N-OG1 2.81Å; C1039-T1075 WeakPolarHBondContact O-CB 3.13Å; C1039-T1075 WeakPolarHBondContact O-CG2 3.41Å; C1039-T1075 PolarHBondContact O-OG1 2.87Å; C1039-C1077 HydrophobicContact CB-CB 3.85Å; C1039-C1077 WeakPolarHBondContact CB-SG 3.47Å; C1039-C1077 WeakPolarHBondContact SG-CB 3.4Å; C1039-C1077 CovalentContact SG-SG 2.03Å; C1039-C1077 PolarHBondContact SG-SG 3.07Å
1040	S	42.7	Very low	43.2	Very low	48 Å²	48	88.9 Å²	88.9	34%	0.336	51%	0.513	S	S	.	.			trans	-62.8	125.7	174.5	-51.5	0	0	0	0	111.4
1041	L	44.6	Very low	41.2	Very low	133 Å²	133	98.2 Å²	98.2	70%	0.696	56%	0.557	S	S	*	*			trans	-104.6	78.4	171.6	-77.9	178.8	0	0	0	110.1	C1039 T1075	C1039-L1041 PolarHBondContact O-N 3.47Å; L1041-T1075 HydrophobicContact CD1-CG2 3.39Å; L1041-T1075 HydrophobicContact CG-CG2 3.67Å
1042	S	38.5	Very low	39.5	Very low	82 Å²	82	105 Å²	105	57%	0.573	58%	0.58	S	S	*	*			trans	-155.1	107.9	-179.4	52.6	0	0	0	0	111
1043	G	34.7	Very low	38.3	Very low	79 Å²	79	108.8 Å²	108.8	81%	0.814	61%	0.605	S	S	*	*	S	Bend	trans	107.4	79.8	-178	0	0	0	0	0	113.2
1044	G	29.6	Very low	37.7	Very low	80 Å²	80	116.3 Å²	116.3	83%	0.825	63%	0.626	S	S	*	*			trans	-91.2	126	-171	0	0	0	0	0	114.9
1045	Q	28.8	Very low	37.3	Very low	185 Å²	185	118.1 Å²	118.1	86%	0.864	64%	0.641	S	S	*	*			trans	-160.7	52.2	157	-125.2	-179.5	32.6	0	0	114.7
1046	Y	29.1	Very low	37.4	Very low	230 Å²	230	119 Å²	119	90%	0.902	65%	0.645	S	S	*	*			trans	-136.7	94.4	165.3	-82	-75.1	0	0	0	111.8
1047	Q	30.5	Very low	37.7	Very low	182 Å²	182	115 Å²	115	85%	0.85	63%	0.634	S	S	*	*			trans	-82.8	143.7	161.4	-70.5	176.6	-33.5	0	0	109.4
1048	T	26.2	Very low	39.2	Very low	119 Å²	119	119 Å²	119	73%	0.73	66%	0.658	S	S	*	*			trans	21.2	127.2	152.6	57.5	0	0	0	0	118.1
1049	T	27.5	Very low	40.8	Very low	145 Å²	145	119 Å²	119	89%	0.89	65%	0.653	S	S	*	*	S	Bend		-143.3	87.9	70.4	50.6	0	0	0	0	115.3
1050	S	27.1	Very low	42.7	Very low	99 Å²	99	120.6 Å²	120.6	69%	0.692	66%	0.656	S	S	*	*	S	Bend	trans	-152.7	137.7	147	62	0	0	0	0	108.9	Y1052	S1050-Y1052 VanDerWaalsContact C-N 3.28Å; S1050-Y1052 PolarHBondContact O-N 3.11Å
1051	E	26.5	Very low	44.6	Very low	196 Å²	196	119.6 Å²	119.6	92%	0.916	65%	0.645	S	S	*	*	S	Bend	trans	-83.5	55.7	-161.8	-62.7	174.1	109.1	0	0	114.1
1052	Y	25.8	Very low	46.4	Very low	206 Å²	206	114 Å²	114	81%	0.808	62%	0.615	S	S	*	*			trans	-122.6	120.6	170.1	-81.5	-83.2	0	0	0	111.3	S1050 Y1054	S1050-Y1052 VanDerWaalsContact C-N 3.28Å; S1050-Y1052 PolarHBondContact O-N 3.11Å; Y1052-Y1054 PolarHBondContact O-N 3.4Å
1053	P	34.5	Very low	48.2	Very low	108 Å²	108	110.6 Å²	110.6	70%	0.701	59%	0.591	S	S	*	*			trans	-73	128.9	-178	28.8	-33.7	0	0	0	111.2	V1055	P1053-V1055 HydrophobicContact CB-CG2 4.39Å; P1053-V1055 HydrophobicContact CG-CG2 4.44Å; P1053-V1055 PolarHBondContact O-N 3.12Å
1054	Y	45.7	Very low	49.5	Very low	217 Å²	217	115.7 Å²	115.7	85%	0.851	59%	0.585	S	S	*	*			trans	-71.4	92.8	167.7	-77.1	-92.9	0	0	0	109.5	Y1052 P1056	Y1052-Y1054 PolarHBondContact O-N 3.4Å; Y1054-P1056 WeakPolarHBondContact O-CD 3.12Å
1055	V	49.8	Very low	51.1	Low	88 Å²	88	121.9 Å²	121.9	53%	0.533	58%	0.583	S	S	.	*			trans	-89.7	114	171.8	-175.4	0	0	0	0	108.5	P1053 L1057	P1053-V1055 HydrophobicContact CB-CG2 4.39Å; P1053-V1055 HydrophobicContact CG-CG2 4.44Å; P1053-V1055 PolarHBondContact O-N 3.12Å; V1055-L1057 HydrophobicContact CB-CD2 4.47Å; V1055-L1057 HydrophobicContact CG1-CD2 3.77Å; V1055-L1057 HydrophobicContact CG1-CG 4.38Å; V1055-L1057 PolarHBondContact O-N 2.03Å
1056	P	59.2	Low	53.2	Low	81 Å²	81	117.7 Å²	117.7	53%	0.526	57%	0.567	S	S	.	*			trans	-66.3	125	166.7	28.2	-32.1	0	0	0	108.4	Y1054 T1073 Y1074	Y1054-P1056 WeakPolarHBondContact O-CD 3.12Å; P1056-T1073 HydrophobicContact CB-CG2 3.83Å; P1056-Y1074 WeakPolarHBondContact CA-O 3.01Å
1057	L	55.6	Low	55.1	Low	70 Å²	70	107.5 Å²	107.5	37%	0.366	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.4	-177.6	-65	173.3	0	0	0	109.5	V1055 R1059 Y1074	V1055-L1057 HydrophobicContact CB-CD2 4.47Å; V1055-L1057 HydrophobicContact CG1-CD2 3.77Å; V1055-L1057 HydrophobicContact CG1-CG 4.38Å; V1055-L1057 PolarHBondContact O-N 2.03Å; L1057-R1059 HydrophobicContact CB-CG 4.46Å; L1057-R1059 VanDerWaalsContact CD1-NH2 3.28Å; L1057-R1059 PolarHBondContact O-N 3.13Å; L1057-Y1074 HydrophobicContact CB-CD1 4.4Å; L1057-Y1074 HydrophobicContact CD1-CD1 4.38Å; L1057-Y1074 PolarHBondContact N-O 2.97Å; L1057-Y1074 WeakPolarHBondContact O-CA 3.14Å; L1057-Y1074 VanDerWaalsContact O-CB 3.26Å; L1057-Y1074 WeakPolarHBondContact O-CB 3.42Å; L1057-Y1074 PolarHBondContact O-N 2.79Å
1058	T	75.2	Confident	57.4	Low	86 Å²	86	103.4 Å²	103.4	53%	0.528	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.2	165	-49.9	0	0	0	0	108.7	Y1060 P1071	T1058-Y1060 HydrophobicContact CG2-CE2 4.05Å; T1058-P1071 HydrophobicContact CG2-CB 4.25Å
1059	R	79.1	Confident	60.3	Low	42 Å²	42	98.1 Å²	98.1	16%	0.158	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	172.2	174.8	-63.6	-68.6	-175.6	103.3	15.7	108	L1057 P1071 Y1072 Y1074 H1083 F1084 D1085	L1057-R1059 HydrophobicContact CB-CG 4.46Å; L1057-R1059 VanDerWaalsContact CD1-NH2 3.28Å; L1057-R1059 PolarHBondContact O-N 3.13Å; R1059-P1071 CarbonylContact O-C 3.58Å; R1059-P1071 WeakPolarHBondContact O-CA 3.23Å; R1059-Y1072 HydrophobicContact CB-CD1 4.25Å; R1059-Y1072 HydrophobicContact CB-CE1 4.04Å; R1059-Y1072 PolarHBondContact N-O 3.34Å; R1059-Y1072 WeakPolarHBondContact O-CD1 3.19Å; R1059-Y1072 PolarHBondContact O-N 3.1Å; R1059-Y1074 HydrophobicContact CG-CD1 4.4Å; R1059-Y1074 HydrophobicContact CG-CG 4.01Å; R1059-H1083 PolarHBondContact NH1-NE2 2.79Å; R1059-F1084 CarbonylContact C-O 3.58Å; R1059-F1084 VanDerWaalsContact CA-O 3.25Å; R1059-F1084 WeakPolarHBondContact CA-O 3.35Å; R1059-F1084 WeakPolarHBondContact CB-O 3.42Å; R1059-F1084 WeakPolarHBondContact CD-O 3.3Å; R1059-D1085 IonicContact CZ-OD1 3.19Å; R1059-D1085 IonicContact NE-OD1 2.89Å; R1059-D1085 IonicContact NH1-OD1 3.58Å; R1059-D1085 PolarHBondContact NH1-OD1 2.97Å
1060	Y	85.7	Confident	63	Low	56 Å²	56	93.8 Å²	93.8	22%	0.22	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.5	-173.4	-62.9	-97.7	0	0	0	110.9	T1058 Q1070 P1071 F1084 L1087	T1058-Y1060 HydrophobicContact CG2-CE2 4.05Å; Y1060-Q1070 CarbonylContact C-O 3.56Å; Y1060-Q1070 VanDerWaalsContact CA-O 3.27Å; Y1060-Q1070 WeakPolarHBondContact CA-O 3.41Å; Y1060-P1071 HydrophobicContact CD1-CB 3.9Å; Y1060-P1071 HydrophobicContact CE1-CB 3.65Å; Y1060-P1071 HydrophobicContact CE1-CG 4.49Å; Y1060-F1084 PolarHBondContact N-O 3.4Å; Y1060-F1084 WeakPolarHBondContact O-CB 3.46Å; Y1060-F1084 WeakPolarHBondContact O-CD2 3.41Å; Y1060-F1084 PolarHBondContact O-N 3.13Å; Y1060-L1087 HydrophobicContact CD1-CB 3.73Å; Y1060-L1087 HydrophobicContact CD1-CD1 3.66Å; Y1060-L1087 HydrophobicContact CD1-CG 4.27Å; Y1060-L1087 HydrophobicContact CD2-CB 4.38Å; Y1060-L1087 HydrophobicContact CE1-CB 3.56Å; Y1060-L1087 HydrophobicContact CE1-CD1 3.99Å; Y1060-L1087 HydrophobicContact CE1-CG 4.23Å; Y1060-L1087 HydrophobicContact CE2-CB 4.25Å; Y1060-L1087 VanDerWaalsContact CE2-N 3.27Å; Y1060-L1087 HydrophobicContact CG-CB 4.13Å; Y1060-L1087 HydrophobicContact CG-CD1 4.45Å
1061	Y	83.7	Confident	65.8	Low	28 Å²	28	92.6 Å²	92.6	11%	0.11	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152	176.1	79	-87	0	0	0	110.7	H1034 D1063 C1069 Q1070 Y1072 N1082	H1034-Y1061 HydrophobicContact CB-CD1 3.81Å; H1034-Y1061 HydrophobicContact CB-CD2 3.78Å; H1034-Y1061 HydrophobicContact CB-CG 3.38Å; H1034-Y1061 AromaticContact CE1-CE1 3.69Å; H1034-Y1061 AromaticContact CE1-CE2 3.67Å; H1034-Y1061 AromaticContact CE1-CZ 3.4Å; H1034-Y1061 VanDerWaalsContact CE1-CZ 3.4Å; H1034-Y1061 AromaticContact CG-CD1 3.7Å; H1034-Y1061 AromaticContact CG-CD2 3.79Å; H1034-Y1061 AromaticContact CG-CE1 3.95Å; H1034-Y1061 AromaticContact CG-CG 3.63Å; H1034-Y1061 AromaticContact ND1-CD1 3.62Å; H1034-Y1061 AromaticContact ND1-CD2 3.21Å; H1034-Y1061 WeakPolarHBondContact ND1-CD2 3.05Å; H1034-Y1061 AromaticContact ND1-CE1 3.49Å; H1034-Y1061 WeakPolarHBondContact ND1-CE1 2.99Å; H1034-Y1061 AromaticContact ND1-CE2 3.07Å; H1034-Y1061 WeakPolarHBondContact ND1-CE2 3.41Å; H1034-Y1061 AromaticContact ND1-CG 3.5Å; H1034-Y1061 AromaticContact ND1-CZ 3.24Å; Y1061-D1063 HydrophobicContact CD2-CB 4.35Å; Y1061-D1063 HydrophobicContact CE2-CB 3.5Å; Y1061-D1063 PolarHBondContact O-N 3.06Å; Y1061-D1063 PolarHBondContact OH-OD2 3.4Å; Y1061-D1063 VanDerWaalsContact OH-OD2 3.05Å; Y1061-C1069 CarbonylContact O-C 3.35Å; Y1061-C1069 VanDerWaalsContact O-CA 3.28Å; Y1061-C1069 WeakPolarHBondContact O-CA 3.13Å; Y1061-Q1070 HydrophobicContact CD1-CB 4.08Å; Y1061-Q1070 WeakPolarHBondContact CD1-O 3.45Å; Y1061-Q1070 HydrophobicContact CE1-CB 3.54Å; Y1061-Q1070 HydrophobicContact CE2-CB 4.46Å; Y1061-Q1070 PolarHBondContact N-O 3.35Å; Y1061-Q1070 PolarHBondContact O-N 3.47Å; Y1061-Y1072 AromaticContact CD1-CD1 3.74Å; Y1061-Y1072 HydrophobicContact CD1-CD1 3.74Å; Y1061-Y1072 HydrophobicContact CD1-CE1 4.13Å; Y1061-Y1072 HydrophobicContact CD1-CG 4.36Å; Y1061-Y1072 HydrophobicContact CG-CD1 4.47Å; Y1061-Y1072 HydrophobicContact CG-CE1 4.43Å; Y1061-N1082 WeakPolarHBondContact CA-OD1 3.48Å; Y1061-N1082 WeakPolarHBondContact CB-O 3.11Å
1062	Y	81.3	Confident	68.3	Low	16 Å²	16	84.3 Å²	84.3	6%	0.063	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	109.3	174.6	-179.4	-102.2	0	0	0	110.2	C1030 R1064 G1067 N1082 C1090 C1094 E1095 L1098	C1030-Y1062 HydrophobicContact CB-CD1 4.42Å; Y1062-R1064 HydrophobicContact CD1-CB 4.43Å; Y1062-R1064 HydrophobicContact CE1-CB 4.2Å; Y1062-R1064 PolarHBondContact O-N 3.27Å; Y1062-G1067 WeakPolarHBondContact OH-CA 3Å; Y1062-N1082 PolarHBondContact N-OD1 3.14Å; Y1062-N1082 PolarHBondContact O-ND2 3.29Å; Y1062-C1090 PolarHBondContact N-SG 2.81Å; Y1062-C1094 HydrophobicContact CD1-CB 4.29Å; Y1062-C1094 HydrophobicContact CD2-CB 3.69Å; Y1062-C1094 HydrophobicContact CG-CB 3.53Å; Y1062-E1095 HydrophobicContact CD2-CB 4.24Å; Y1062-E1095 HydrophobicContact CD2-CG 4.4Å; Y1062-E1095 HydrophobicContact CE2-CB 4.22Å; Y1062-E1095 HydrophobicContact CE2-CG 4.05Å; Y1062-L1098 HydrophobicContact CD1-CD1 3.64Å; Y1062-L1098 HydrophobicContact CE1-CB 4.21Å; Y1062-L1098 HydrophobicContact CE1-CD1 3.2Å; Y1062-L1098 HydrophobicContact CE1-CG 4.3Å; Y1062-L1098 HydrophobicContact CE2-CB 4.35Å; Y1062-L1098 HydrophobicContact CE2-CD1 4.41Å; Y1062-L1098 HydrophobicContact CG-CD1 4.4Å; Y1062-L1098 WeakPolarHBondContact OH-CB 3.49Å
1063	D	75.7	Confident	70.4	Confident	10 Å²	10	78.5 Å²	78.5	5%	0.053	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	104.9	170.4	-159.8	-53.3	0	0	0	109.3	Y1061 R1065 L1066 G1067 Q1068 Q1070	Y1061-D1063 HydrophobicContact CD2-CB 4.35Å; Y1061-D1063 HydrophobicContact CE2-CB 3.5Å; Y1061-D1063 PolarHBondContact O-N 3.06Å; Y1061-D1063 PolarHBondContact OH-OD2 3.4Å; Y1061-D1063 VanDerWaalsContact OH-OD2 3.05Å; D1063-R1065 PolarHBondContact O-N 3.39Å; D1063-R1065 VanDerWaalsContact O-N 3.08Å; D1063-R1065 VanDerWaalsContact OD1-CB 3.27Å; D1063-R1065 WeakPolarHBondContact OD1-CB 3.41Å; D1063-R1065 IonicContact OD1-CZ 2.97Å; D1063-R1065 PolarHBondContact OD1-N 3.37Å; D1063-R1065 IonicContact OD1-NE 3.37Å; D1063-R1065 PolarHBondContact OD1-NE 3.14Å; D1063-R1065 VanDerWaalsContact OD1-NE 3.08Å; D1063-R1065 IonicContact OD1-NH2 3.75Å; D1063-R1065 IonicContact OD2-CZ 3.15Å; D1063-R1065 IonicContact OD2-NE 2.78Å; D1063-R1065 IonicContact OD2-NH2 2.7Å; D1063-R1065 PolarHBondContact OD2-NH2 2.77Å; D1063-L1066 HydrophobicContact CB-CB 4.18Å; D1063-L1066 HydrophobicContact CB-CD1 4.1Å; D1063-L1066 HydrophobicContact CB-CG 4.13Å; D1063-L1066 PolarHBondContact O-N 2.96Å; D1063-L1066 VanDerWaalsContact O-N 3.08Å; D1063-G1067 PolarHBondContact O-N 2.92Å; D1063-Q1068 PolarHBondContact N-O 2.69Å; D1063-Q1068 PolarHBondContact O-N 2.04Å; D1063-Q1070 HydrophobicContact CB-CG 4.09Å
1064	R	63.6	Low	71.5	Confident	185 Å²	185	74.7 Å²	74.7	70%	0.698	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.4	178.5	-177.8	176	171.5	-161.3	-4.3	113.8	Y1062	Y1062-R1064 HydrophobicContact CD1-CB 4.43Å; Y1062-R1064 HydrophobicContact CE1-CB 4.2Å; Y1062-R1064 PolarHBondContact O-N 3.27Å
1065	R	62.3	Low	72	Confident	210 Å²	210	65.2 Å²	65.2	79%	0.792	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-35.2	176.7	-58.6	166	-66.9	177.3	0.7	112.3	D1063	D1063-R1065 PolarHBondContact O-N 3.39Å; D1063-R1065 VanDerWaalsContact O-N 3.08Å; D1063-R1065 VanDerWaalsContact OD1-CB 3.27Å; D1063-R1065 WeakPolarHBondContact OD1-CB 3.41Å; D1063-R1065 IonicContact OD1-CZ 2.97Å; D1063-R1065 PolarHBondContact OD1-N 3.37Å; D1063-R1065 IonicContact OD1-NE 3.37Å; D1063-R1065 PolarHBondContact OD1-NE 3.14Å; D1063-R1065 VanDerWaalsContact OD1-NE 3.08Å; D1063-R1065 IonicContact OD1-NH2 3.75Å; D1063-R1065 IonicContact OD2-CZ 3.15Å; D1063-R1065 IonicContact OD2-NE 2.78Å; D1063-R1065 IonicContact OD2-NH2 2.7Å; D1063-R1065 PolarHBondContact OD2-NH2 2.77Å
1066	L	72.5	Confident	72	Confident	98 Å²	98	63.5 Å²	63.5	51%	0.513	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-19.2	176.5	-57.8	177.4	0	0	0	112.2	D1063 Q1068 Q1070	D1063-L1066 HydrophobicContact CB-CB 4.18Å; D1063-L1066 HydrophobicContact CB-CD1 4.1Å; D1063-L1066 HydrophobicContact CB-CG 4.13Å; D1063-L1066 PolarHBondContact O-N 2.96Å; D1063-L1066 VanDerWaalsContact O-N 3.08Å; L1066-Q1068 HydrophobicContact CB-CB 4.11Å; L1066-Q1068 PolarHBondContact O-N 2.81Å; L1066-Q1070 HydrophobicContact CD1-CG 3.79Å
1067	G	68.9	Low	71.5	Confident	15 Å²	15	61.2 Å²	61.2	16%	0.155	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	29.4	-169.6	0	0	0	0	0	112	Y1062 D1063 E1095 K1099	Y1062-G1067 WeakPolarHBondContact OH-CA 3Å; D1063-G1067 PolarHBondContact O-N 2.92Å; G1067-E1095 WeakPolarHBondContact O-CG 2.99Å; G1067-K1099 WeakPolarHBondContact O-CE 3.43Å; G1067-K1099 PolarHBondContact O-NZ 3.25Å
1068	Q	79.4	Confident	71	Confident	96 Å²	96	60.4 Å²	60.4	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.4	-169.5	-74.8	-177.9	4.4	0	0	111.5	D1063 L1066	D1063-Q1068 PolarHBondContact N-O 2.69Å; D1063-Q1068 PolarHBondContact O-N 2.04Å; L1066-Q1068 HydrophobicContact CB-CB 4.11Å; L1066-Q1068 PolarHBondContact O-N 2.81Å
1069	C	86.9	Confident	69.4	Low	9 Å²	9	58.4 Å²	58.4	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.9	173.7	-77.1	0	0	0	0	112.5	Y1061 L1087 C1090 Q1091 E1095	Y1061-C1069 CarbonylContact O-C 3.35Å; Y1061-C1069 VanDerWaalsContact O-CA 3.28Å; Y1061-C1069 WeakPolarHBondContact O-CA 3.13Å; C1069-L1087 HydrophobicContact CB-CD1 3.55Å; C1069-L1087 WeakPolarHBondContact O-CD1 3.36Å; C1069-C1090 HydrophobicContact CB-CB 3.66Å; C1069-C1090 WeakPolarHBondContact CB-SG 3.42Å; C1069-C1090 WeakPolarHBondContact SG-CB 2.98Å; C1069-C1090 PolarHBondContact SG-O 3Å; C1069-C1090 CovalentContact SG-SG 2.03Å; C1069-C1090 PolarHBondContact SG-SG 2.81Å; C1069-Q1091 HydrophobicContact CB-CG 3.91Å; C1069-Q1091 PolarHBondContact SG-N 2.77Å; C1069-E1095 PolarHBondContact N-OE1 2.87Å
1070	Q	83.7	Confident	68.1	Low	53 Å²	53	63 Å²	63	25%	0.248	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.1	-177.2	-65.1	-59.3	-39.7	0	0	111.2	Y1060 Y1061 D1063 L1066	Y1060-Q1070 CarbonylContact C-O 3.56Å; Y1060-Q1070 VanDerWaalsContact CA-O 3.27Å; Y1060-Q1070 WeakPolarHBondContact CA-O 3.41Å; Y1061-Q1070 HydrophobicContact CD1-CB 4.08Å; Y1061-Q1070 WeakPolarHBondContact CD1-O 3.45Å; Y1061-Q1070 HydrophobicContact CE1-CB 3.54Å; Y1061-Q1070 HydrophobicContact CE2-CB 4.46Å; Y1061-Q1070 PolarHBondContact N-O 3.35Å; Y1061-Q1070 PolarHBondContact O-N 3.47Å; D1063-Q1070 HydrophobicContact CB-CG 4.09Å; L1066-Q1070 HydrophobicContact CD1-CG 3.79Å
1071	P	87.4	Confident	66.7	Low	74 Å²	74	60.6 Å²	60.6	48%	0.481	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	155.3	174.4	30.8	-34.1	0	0	0	112.3	T1058 R1059 Y1060	T1058-P1071 HydrophobicContact CG2-CB 4.25Å; R1059-P1071 CarbonylContact O-C 3.58Å; R1059-P1071 WeakPolarHBondContact O-CA 3.23Å; Y1060-P1071 HydrophobicContact CD1-CB 3.9Å; Y1060-P1071 HydrophobicContact CE1-CB 3.65Å; Y1060-P1071 HydrophobicContact CE1-CG 4.49Å
1072	Y	77.9	Confident	66.1	Low	23 Å²	23	59.5 Å²	59.5	9%	0.09	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	158.9	167.9	71.9	-74.8	0	0	0	112.5	H1034 T1038 R1059 Y1061 Y1074 N1082 H1083	H1034-Y1072 HydrophobicContact CB-CE1 4.25Å; H1034-Y1072 HydrophobicContact CB-CE2 4.49Å; H1034-Y1072 PolarHBondContact O-OH 3.46Å; T1038-Y1072 HydrophobicContact CG2-CD2 3.5Å; T1038-Y1072 HydrophobicContact CG2-CE2 3.67Å; R1059-Y1072 HydrophobicContact CB-CD1 4.25Å; R1059-Y1072 HydrophobicContact CB-CE1 4.04Å; R1059-Y1072 PolarHBondContact N-O 3.34Å; R1059-Y1072 WeakPolarHBondContact O-CD1 3.19Å; R1059-Y1072 PolarHBondContact O-N 3.1Å; Y1061-Y1072 AromaticContact CD1-CD1 3.74Å; Y1061-Y1072 HydrophobicContact CD1-CD1 3.74Å; Y1061-Y1072 HydrophobicContact CD1-CE1 4.13Å; Y1061-Y1072 HydrophobicContact CD1-CG 4.36Å; Y1061-Y1072 HydrophobicContact CG-CD1 4.47Å; Y1061-Y1072 HydrophobicContact CG-CE1 4.43Å; Y1072-Y1074 PolarHBondContact O-N 2.94Å; Y1072-N1082 PolarHBondContact OH-O 2.87Å; Y1072-H1083 AromaticContact CZ-ND1 3.5Å; Y1072-H1083 PolarHBondContact OH-ND1 3.37Å
1073	T	69.8	Low	65.6	Low	84 Å²	84	59.7 Å²	59.7	52%	0.515	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	108.8	178.1	-52.2	0	0	0	0	110.2	P1056 T1075	P1056-T1073 HydrophobicContact CB-CG2 3.83Å; T1073-T1075 HydrophobicContact CG2-CG2 4.35Å
1074	Y	58.6	Low	65.5	Low	28 Å²	28	59.9 Å²	59.9	11%	0.11	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.6	172	179.6	-113.4	0	0	0	111.6	G1037 P1056 L1057 R1059 Y1072 G1076 C1077 A1079 H1083	G1037-Y1074 WeakPolarHBondContact O-CD2 3.09Å; G1037-Y1074 WeakPolarHBondContact O-CE2 3.4Å; P1056-Y1074 WeakPolarHBondContact CA-O 3.01Å; L1057-Y1074 HydrophobicContact CB-CD1 4.4Å; L1057-Y1074 HydrophobicContact CD1-CD1 4.38Å; L1057-Y1074 PolarHBondContact N-O 2.97Å; L1057-Y1074 WeakPolarHBondContact O-CA 3.14Å; L1057-Y1074 VanDerWaalsContact O-CB 3.26Å; L1057-Y1074 WeakPolarHBondContact O-CB 3.42Å; L1057-Y1074 PolarHBondContact O-N 2.79Å; R1059-Y1074 HydrophobicContact CG-CD1 4.4Å; R1059-Y1074 HydrophobicContact CG-CG 4.01Å; Y1072-Y1074 PolarHBondContact O-N 2.94Å; Y1074-G1076 VanDerWaalsContact CE1-CA 3.49Å; Y1074-G1076 VanDerWaalsContact OH-C 3.28Å; Y1074-G1076 PolarHBondContact OH-O 3.34Å; Y1074-C1077 WeakPolarHBondContact CE2-O 3.38Å; Y1074-C1077 PolarHBondContact OH-N 3.41Å; Y1074-A1079 HydrophobicContact CE2-CB 3.81Å; Y1074-A1079 WeakPolarHBondContact OH-CB 3.41Å; Y1074-H1083 AromaticContact CD2-CE1 3.06Å; Y1074-H1083 WeakPolarHBondContact CD2-CE1 2.98Å; Y1074-H1083 AromaticContact CD2-ND1 3.79Å; Y1074-H1083 AromaticContact CD2-NE2 3.92Å; Y1074-H1083 AromaticContact CE2-CE1 3.44Å; Y1074-H1083 VanDerWaalsContact CE2-CE1 3.44Å; Y1074-H1083 WeakPolarHBondContact CE2-CE1 3.41Å; Y1074-H1083 AromaticContact CG-CE1 3.46Å; Y1074-H1083 VanDerWaalsContact CG-CE1 3.46Å
1075	T	56	Low	65.8	Low	17 Å²	17	54.5 Å²	54.5	10%	0.104	30%	0.302	C	S	.	.			trans	-115	10.6	-168.7	55.5	0	0	0	0	112.9	C1039 L1041 T1073	C1039-T1075 WeakPolarHBondContact CA-OG1 3.3Å; C1039-T1075 WeakPolarHBondContact CB-OG1 3.38Å; C1039-T1075 PolarHBondContact N-OG1 2.81Å; C1039-T1075 WeakPolarHBondContact O-CB 3.13Å; C1039-T1075 WeakPolarHBondContact O-CG2 3.41Å; C1039-T1075 PolarHBondContact O-OG1 2.87Å; L1041-T1075 HydrophobicContact CD1-CG2 3.39Å; L1041-T1075 HydrophobicContact CG-CG2 3.67Å; T1073-T1075 HydrophobicContact CG2-CG2 4.35Å
1076	G	50.4	Low	66.6	Low	53 Å²	53	47.4 Å²	47.4	55%	0.546	28%	0.282	S	S	.	.	S	Bend	trans	104.7	1.2	170.9	0	0	0	0	0	116.2	Y1074	Y1074-G1076 VanDerWaalsContact CE1-CA 3.49Å; Y1074-G1076 VanDerWaalsContact OH-C 3.28Å; Y1074-G1076 PolarHBondContact OH-O 3.34Å
1077	C	48.5	Very low	67.1	Low	32 Å²	32	45.7 Å²	45.7	22%	0.216	27%	0.273	C	S	.	.	S	Bend	trans	-112.1	140.4	-168.1	-61.6	0	0	0	0	113.8	G1037 C1039 Y1074 A1079	G1037-C1077 CarbonylContact C-O 3.58Å; G1037-C1077 VanDerWaalsContact C-O 3.28Å; G1037-C1077 VanDerWaalsContact CA-O 3.25Å; G1037-C1077 WeakPolarHBondContact CA-O 3.47Å; C1039-C1077 HydrophobicContact CB-CB 3.85Å; C1039-C1077 WeakPolarHBondContact CB-SG 3.47Å; C1039-C1077 WeakPolarHBondContact SG-CB 3.4Å; C1039-C1077 CovalentContact SG-SG 2.03Å; C1039-C1077 PolarHBondContact SG-SG 3.07Å; Y1074-C1077 WeakPolarHBondContact CE2-O 3.38Å; Y1074-C1077 PolarHBondContact OH-N 3.41Å; C1077-A1079 VanDerWaalsContact C-N 3.3Å; C1077-A1079 PolarHBondContact O-N 2.94Å
1078	G	44.1	Very low	67.5	Low	54 Å²	54	51.1 Å²	51.1	56%	0.557	29%	0.294	S	S	*	.			trans	69	2.8	154.4	0	0	0	0	0	119.6	Y1036 R1080	Y1036-G1078 CarbonylContact O-C 3.57Å; Y1036-G1078 VanDerWaalsContact O-C 3.26Å; Y1036-G1078 VanDerWaalsContact O-CA 3.32Å; Y1036-G1078 WeakPolarHBondContact O-CA 3.28Å; G1078-R1080 PolarHBondContact O-N 3.31Å
1079	A	43	Very low	67.2	Low	44 Å²	44	51.3 Å²	51.3	36%	0.364	29%	0.294	S	S	.	.			trans	-54.1	89.3	-175.9	0	0	0	0	0	114.9	Y1074 C1077	Y1074-A1079 HydrophobicContact CE2-CB 3.81Å; Y1074-A1079 WeakPolarHBondContact OH-CB 3.41Å; C1077-A1079 VanDerWaalsContact C-N 3.3Å; C1077-A1079 PolarHBondContact O-N 2.94Å
1080	R	50.2	Low	67	Low	138 Å²	138	50.9 Å²	50.9	52%	0.521	29%	0.291	S	S	.	.	S	Bend	trans	-149.1	3	176.1	-133.2	172.9	-173	-179.4	-1.4	115.7	G1078 R1159 T1161	G1078-R1080 PolarHBondContact O-N 3.31Å; R1080-R1159 PolarHBondContact NH2-O 2.78Å; R1080-T1161 WeakPolarHBondContact CD-OG1 3.19Å
1081	G	57	Low	66.8	Low	6 Å²	6	51.1 Å²	51.1	6%	0.062	29%	0.292	C	S	.	.	S	Bend	trans	-113.9	-149.8	166.7	0	0	0	0	0	111.1	I1029 D1032 H1083	I1029-G1081 VanDerWaalsContact CG2-O 3.31Å; I1029-G1081 WeakPolarHBondContact CG2-O 3.25Å; D1032-G1081 VanDerWaalsContact CB-CA 3.46Å; D1032-G1081 VanDerWaalsContact OD2-CA 3.3Å; D1032-G1081 WeakPolarHBondContact OD2-CA 3.48Å; G1081-H1083 VanDerWaalsContact C-N 3.3Å; G1081-H1083 WeakPolarHBondContact O-CB 3.25Å; G1081-H1083 PolarHBondContact O-N 2.86Å
1082	N	70	Confident	65.7	Low	4 Å²	4	51.6 Å²	51.6	2%	0.021	29%	0.29	C	S	.	.	S	Bend	trans	-58.5	77.9	-174.6	-167	-4.3	0	0	0	113.5	I1029 C1030 D1032 Y1061 Y1062 Y1072	I1029-N1082 WeakPolarHBondContact O-CA 3.21Å; I1029-N1082 WeakPolarHBondContact O-CB 3.07Å; I1029-N1082 PolarHBondContact O-N 3.38Å; C1030-N1082 PolarHBondContact O-ND2 3.48Å; D1032-N1082 HydrophobicContact CB-CB 4.07Å; D1032-N1082 WeakPolarHBondContact O-CB 3.24Å; D1032-N1082 PolarHBondContact O-ND2 3.3Å; Y1061-N1082 WeakPolarHBondContact CA-OD1 3.48Å; Y1061-N1082 WeakPolarHBondContact CB-O 3.11Å; Y1062-N1082 PolarHBondContact N-OD1 3.14Å; Y1062-N1082 PolarHBondContact O-ND2 3.29Å; Y1072-N1082 PolarHBondContact OH-O 2.87Å
1083	H	71.5	Confident	65.1	Low	21 Å²	21	51.6 Å²	51.6	10%	0.097	29%	0.292	C	S	.	.			trans	-149.2	106.3	-160.4	-175	92	0	0	0	110.5	R1059 Y1072 Y1074 G1081	R1059-H1083 PolarHBondContact NH1-NE2 2.79Å; Y1072-H1083 AromaticContact CZ-ND1 3.5Å; Y1072-H1083 PolarHBondContact OH-ND1 3.37Å; Y1074-H1083 AromaticContact CD2-CE1 3.06Å; Y1074-H1083 WeakPolarHBondContact CD2-CE1 2.98Å; Y1074-H1083 AromaticContact CD2-ND1 3.79Å; Y1074-H1083 AromaticContact CD2-NE2 3.92Å; Y1074-H1083 AromaticContact CE2-CE1 3.44Å; Y1074-H1083 VanDerWaalsContact CE2-CE1 3.44Å; Y1074-H1083 WeakPolarHBondContact CE2-CE1 3.41Å; Y1074-H1083 AromaticContact CG-CE1 3.46Å; Y1074-H1083 VanDerWaalsContact CG-CE1 3.46Å; G1081-H1083 VanDerWaalsContact C-N 3.3Å; G1081-H1083 WeakPolarHBondContact O-CB 3.25Å; G1081-H1083 PolarHBondContact O-N 2.86Å
1084	F	74.4	Confident	65.4	Low	14 Å²	14	47.6 Å²	47.6	6%	0.061	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-124.4	143.3	-172.4	-62.1	-77.3	0	0	0	113	I1029 R1059 Y1060 T1086 K1089 C1090 V1093 C1094	I1029-F1084 HydrophobicContact CB-CZ 4.47Å; I1029-F1084 HydrophobicContact CG2-CE1 4.33Å; I1029-F1084 HydrophobicContact CG2-CE2 4.3Å; I1029-F1084 HydrophobicContact CG2-CZ 3.7Å; R1059-F1084 CarbonylContact C-O 3.58Å; R1059-F1084 VanDerWaalsContact CA-O 3.25Å; R1059-F1084 WeakPolarHBondContact CA-O 3.35Å; R1059-F1084 WeakPolarHBondContact CB-O 3.42Å; R1059-F1084 WeakPolarHBondContact CD-O 3.3Å; Y1060-F1084 PolarHBondContact N-O 3.4Å; Y1060-F1084 WeakPolarHBondContact O-CB 3.46Å; Y1060-F1084 WeakPolarHBondContact O-CD2 3.41Å; Y1060-F1084 PolarHBondContact O-N 3.13Å; F1084-T1086 VanDerWaalsContact C-N 3.32Å; F1084-T1086 PolarHBondContact O-N 3.14Å; F1084-K1089 HydrophobicContact CB-CB 4.01Å; F1084-K1089 HydrophobicContact CD1-CB 4.11Å; F1084-K1089 HydrophobicContact CG-CB 4.45Å; F1084-C1090 HydrophobicContact CB-CB 3.71Å; F1084-C1090 HydrophobicContact CD2-CB 3.5Å; F1084-C1090 HydrophobicContact CE2-CB 4.33Å; F1084-C1090 VanDerWaalsContact CG-CA 3.42Å; F1084-C1090 HydrophobicContact CG-CB 3.69Å; F1084-V1093 HydrophobicContact CD1-CB 4.46Å; F1084-V1093 HydrophobicContact CE1-CB 3.6Å; F1084-V1093 HydrophobicContact CE1-CG1 3.69Å; F1084-V1093 HydrophobicContact CE1-CG2 3.92Å; F1084-V1093 HydrophobicContact CZ-CB 3.92Å; F1084-V1093 HydrophobicContact CZ-CG1 3.75Å; F1084-C1094 WeakPolarHBondContact CE2-SG 2.98Å; F1084-C1094 WeakPolarHBondContact CZ-SG 3.17Å
1085	D	70	Confident	66.1	Low	72 Å²	72	47.5 Å²	47.5	39%	0.385	27%	0.268	S	S	.	.	S	Bend	trans	-72.8	-25.2	-174.3	-46.9	-40.7	0	0	0	113.5	R1059 K1089	R1059-D1085 IonicContact CZ-OD1 3.19Å; R1059-D1085 IonicContact NE-OD1 2.89Å; R1059-D1085 IonicContact NH1-OD1 3.58Å; R1059-D1085 PolarHBondContact NH1-OD1 2.97Å; D1085-K1089 HydrophobicContact CB-CD 4.17Å; D1085-K1089 IonicContact OD2-NZ 3.63Å; D1085-K1089 PolarHBondContact OD2-NZ 3.38Å
1086	T	78.6	Confident	66.4	Low	60 Å²	60	50 Å²	50	37%	0.368	28%	0.281	S	S	.	.	S	Bend	trans	-141.8	157.9	179.7	62	0	0	0	0	109.8	F1084 E1088 K1089 C1090	F1084-T1086 VanDerWaalsContact C-N 3.32Å; F1084-T1086 PolarHBondContact O-N 3.14Å; T1086-E1088 PolarHBondContact O-N 3.36Å; T1086-K1089 PolarHBondContact O-N 3.38Å; T1086-K1089 VanDerWaalsContact O-N 3.15Å; T1086-K1089 PolarHBondContact OG1-N 3.09Å; T1086-C1090 PolarHBondContact O-N 2.85Å; T1086-C1090 VanDerWaalsContact O-N 3.14Å
1087	L	83.5	Confident	66.6	Low	62 Å²	62	51.2 Å²	51.2	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-54.8	-46.7	172.8	179.4	58.8	0	0	0	109.7	Y1060 C1069 K1089 C1090 Q1091	Y1060-L1087 HydrophobicContact CD1-CB 3.73Å; Y1060-L1087 HydrophobicContact CD1-CD1 3.66Å; Y1060-L1087 HydrophobicContact CD1-CG 4.27Å; Y1060-L1087 HydrophobicContact CD2-CB 4.38Å; Y1060-L1087 HydrophobicContact CE1-CB 3.56Å; Y1060-L1087 HydrophobicContact CE1-CD1 3.99Å; Y1060-L1087 HydrophobicContact CE1-CG 4.23Å; Y1060-L1087 HydrophobicContact CE2-CB 4.25Å; Y1060-L1087 VanDerWaalsContact CE2-N 3.27Å; Y1060-L1087 HydrophobicContact CG-CB 4.13Å; Y1060-L1087 HydrophobicContact CG-CD1 4.45Å; C1069-L1087 HydrophobicContact CB-CD1 3.55Å; C1069-L1087 WeakPolarHBondContact O-CD1 3.36Å; L1087-K1089 PolarHBondContact O-N 3.28Å; L1087-C1090 CarbonylContact O-C 3.59Å; L1087-C1090 WeakPolarHBondContact O-CB 3.32Å; L1087-C1090 PolarHBondContact O-N 3.42Å; L1087-C1090 VanDerWaalsContact O-N 3.1Å; L1087-Q1091 HydrophobicContact CD1-CG 4.2Å; L1087-Q1091 HydrophobicContact CG-CG 4.33Å; L1087-Q1091 WeakPolarHBondContact O-CG 3.04Å; L1087-Q1091 PolarHBondContact O-N 2.02Å
1088	E	77	Confident	67.1	Low	129 Å²	129	51.1 Å²	51.1	60%	0.603	27%	0.266	S	S	*	.	H	α-helix	trans	-55.5	-43.3	176.4	-176.1	-174.7	-145.8	0	0	112.8	T1086 Q1091 I1092	T1086-E1088 PolarHBondContact O-N 3.36Å; E1088-Q1091 CarbonylContact O-C 3.21Å; E1088-Q1091 PolarHBondContact O-N 3.09Å; E1088-I1092 HydrophobicContact CG-CD1 3.69Å; E1088-I1092 HydrophobicContact CG-CG1 4.27Å; E1088-I1092 VanDerWaalsContact O-CB 3.31Å; E1088-I1092 WeakPolarHBondContact O-CB 3.4Å; E1088-I1092 VanDerWaalsContact O-CG1 3.26Å; E1088-I1092 WeakPolarHBondContact O-CG1 3.41Å; E1088-I1092 PolarHBondContact O-N 3.15Å
1089	K	73.3	Confident	67.5	Low	100 Å²	100	52 Å²	52	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-45.5	174.1	-101.1	-167.8	178.9	-175.8	0	112	F1084 D1085 T1086 L1087 Q1091 V1093	F1084-K1089 HydrophobicContact CB-CB 4.01Å; F1084-K1089 HydrophobicContact CD1-CB 4.11Å; F1084-K1089 HydrophobicContact CG-CB 4.45Å; D1085-K1089 HydrophobicContact CB-CD 4.17Å; D1085-K1089 IonicContact OD2-NZ 3.63Å; D1085-K1089 PolarHBondContact OD2-NZ 3.38Å; T1086-K1089 PolarHBondContact O-N 3.38Å; T1086-K1089 VanDerWaalsContact O-N 3.15Å; T1086-K1089 PolarHBondContact OG1-N 3.09Å; L1087-K1089 PolarHBondContact O-N 3.28Å; K1089-Q1091 VanDerWaalsContact C-N 3.27Å; K1089-Q1091 PolarHBondContact O-N 3.15Å; K1089-V1093 WeakPolarHBondContact O-CB 3.46Å; K1089-V1093 WeakPolarHBondContact O-CG2 3.49Å; K1089-V1093 PolarHBondContact O-N 3.45Å
1090	C	82	Confident	67.2	Low	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-42.4	175.9	-178.6	0	0	0	0	110.6	Y1062 C1069 F1084 T1086 L1087 C1094 E1095	Y1062-C1090 PolarHBondContact N-SG 2.81Å; C1069-C1090 HydrophobicContact CB-CB 3.66Å; C1069-C1090 WeakPolarHBondContact CB-SG 3.42Å; C1069-C1090 WeakPolarHBondContact SG-CB 2.98Å; C1069-C1090 PolarHBondContact SG-O 3Å; C1069-C1090 CovalentContact SG-SG 2.03Å; C1069-C1090 PolarHBondContact SG-SG 2.81Å; F1084-C1090 HydrophobicContact CB-CB 3.71Å; F1084-C1090 HydrophobicContact CD2-CB 3.5Å; F1084-C1090 HydrophobicContact CE2-CB 4.33Å; F1084-C1090 VanDerWaalsContact CG-CA 3.42Å; F1084-C1090 HydrophobicContact CG-CB 3.69Å; T1086-C1090 PolarHBondContact O-N 2.85Å; T1086-C1090 VanDerWaalsContact O-N 3.14Å; L1087-C1090 CarbonylContact O-C 3.59Å; L1087-C1090 WeakPolarHBondContact O-CB 3.32Å; L1087-C1090 PolarHBondContact O-N 3.42Å; L1087-C1090 VanDerWaalsContact O-N 3.1Å; C1090-C1094 WeakPolarHBondContact O-CA 3.33Å; C1090-C1094 WeakPolarHBondContact O-CB 3.35Å; C1090-C1094 PolarHBondContact O-N 2.64Å; C1090-E1095 PolarHBondContact O-N 3.12Å
1091	Q	79.9	Confident	66.6	Low	59 Å²	59	51.5 Å²	51.5	28%	0.276	26%	0.26	S	S	.	.	I	π-helix	trans	-65.3	-60.6	178	-68.8	-178.2	-38.3	0	0	109.6	C1069 L1087 E1088 K1089 V1093 C1094 E1095 N1096	C1069-Q1091 HydrophobicContact CB-CG 3.91Å; C1069-Q1091 PolarHBondContact SG-N 2.77Å; L1087-Q1091 HydrophobicContact CD1-CG 4.2Å; L1087-Q1091 HydrophobicContact CG-CG 4.33Å; L1087-Q1091 WeakPolarHBondContact O-CG 3.04Å; L1087-Q1091 PolarHBondContact O-N 2.02Å; E1088-Q1091 CarbonylContact O-C 3.21Å; E1088-Q1091 PolarHBondContact O-N 3.09Å; K1089-Q1091 VanDerWaalsContact C-N 3.27Å; K1089-Q1091 PolarHBondContact O-N 3.15Å; Q1091-V1093 PolarHBondContact O-N 2.02Å; Q1091-C1094 PolarHBondContact O-N 2.78Å; Q1091-C1094 VanDerWaalsContact O-N 3.11Å; Q1091-E1095 HydrophobicContact CB-CB 4.04Å; Q1091-E1095 HydrophobicContact CG-CB 3.79Å; Q1091-E1095 PolarHBondContact NE2-OE1 2.85Å; Q1091-E1095 PolarHBondContact O-N 2.65Å; Q1091-N1096 VanDerWaalsContact O-CA 3.28Å; Q1091-N1096 WeakPolarHBondContact O-CA 3.39Å; Q1091-N1096 WeakPolarHBondContact O-CB 3.26Å; Q1091-N1096 PolarHBondContact O-N 2.78Å
1092	I	63.8	Low	65.4	Low	83 Å²	83	59.9 Å²	59.9	43%	0.426	30%	0.295	S	S	.	.	I	π-helix	trans	-46.7	-36.3	177.2	-71	174	0	0	0	114.1	E1088 R1097	E1088-I1092 HydrophobicContact CG-CD1 3.69Å; E1088-I1092 HydrophobicContact CG-CG1 4.27Å; E1088-I1092 VanDerWaalsContact O-CB 3.31Å; E1088-I1092 WeakPolarHBondContact O-CB 3.4Å; E1088-I1092 VanDerWaalsContact O-CG1 3.26Å; E1088-I1092 WeakPolarHBondContact O-CG1 3.41Å; E1088-I1092 PolarHBondContact O-N 3.15Å; I1092-R1097 WeakPolarHBondContact O-CG 3.47Å; I1092-R1097 PolarHBondContact O-NE 3.37Å
1093	V	64.7	Low	63.9	Low	23 Å²	23	69.1 Å²	69.1	14%	0.139	34%	0.335	C	S	.	.	I	π-helix	trans	-93.4	-30.2	-178.2	-179.7	0	0	0	0	113.6	P1026 C1030 F1084 K1089 Q1091 R1097	P1026-V1093 HydrophobicContact CB-CG1 3.91Å; P1026-V1093 HydrophobicContact CG-CG1 4.4Å; P1026-V1093 VanDerWaalsContact O-CG1 3.31Å; P1026-V1093 WeakPolarHBondContact O-CG1 3.12Å; C1030-V1093 PolarHBondContact SG-O 3.34Å; F1084-V1093 HydrophobicContact CD1-CB 4.46Å; F1084-V1093 HydrophobicContact CE1-CB 3.6Å; F1084-V1093 HydrophobicContact CE1-CG1 3.69Å; F1084-V1093 HydrophobicContact CE1-CG2 3.92Å; F1084-V1093 HydrophobicContact CZ-CB 3.92Å; F1084-V1093 HydrophobicContact CZ-CG1 3.75Å; K1089-V1093 WeakPolarHBondContact O-CB 3.46Å; K1089-V1093 WeakPolarHBondContact O-CG2 3.49Å; K1089-V1093 PolarHBondContact O-N 3.45Å; Q1091-V1093 PolarHBondContact O-N 2.02Å; V1093-R1097 WeakPolarHBondContact O-CA 3.38Å; V1093-R1097 WeakPolarHBondContact O-CG 3.21Å
1094	C	76.2	Confident	62.5	Low	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.349	C	S	.	.	I	π-helix	trans	-130.2	-49.3	-169.2	-55.3	0	0	0	0	114.8	C1030 Y1062 F1084 C1090 Q1091 R1097 L1098	C1030-C1094 VanDerWaalsContact CA-SG 3.52Å; C1030-C1094 HydrophobicContact CB-CB 3.62Å; C1030-C1094 WeakPolarHBondContact CB-SG 3.45Å; C1030-C1094 WeakPolarHBondContact SG-CA 3.4Å; C1030-C1094 WeakPolarHBondContact SG-CB 3.49Å; C1030-C1094 CovalentContact SG-SG 2.02Å; C1030-C1094 PolarHBondContact SG-SG 2.72Å; Y1062-C1094 HydrophobicContact CD1-CB 4.29Å; Y1062-C1094 HydrophobicContact CD2-CB 3.69Å; Y1062-C1094 HydrophobicContact CG-CB 3.53Å; F1084-C1094 WeakPolarHBondContact CE2-SG 2.98Å; F1084-C1094 WeakPolarHBondContact CZ-SG 3.17Å; C1090-C1094 WeakPolarHBondContact O-CA 3.33Å; C1090-C1094 WeakPolarHBondContact O-CB 3.35Å; C1090-C1094 PolarHBondContact O-N 2.64Å; Q1091-C1094 PolarHBondContact O-N 2.78Å; Q1091-C1094 VanDerWaalsContact O-N 3.11Å; C1094-R1097 CarbonylContact O-C 3.59Å; C1094-R1097 WeakPolarHBondContact O-CA 3.34Å; C1094-R1097 PolarHBondContact O-N 3.31Å; C1094-L1098 WeakPolarHBondContact O-CA 3.25Å; C1094-L1098 WeakPolarHBondContact O-CB 3.18Å; C1094-L1098 WeakPolarHBondContact O-CG 3.29Å; C1094-L1098 PolarHBondContact O-N 2.71Å
1095	E	73.3	Confident	61.6	Low	27 Å²	27	77.2 Å²	77.2	13%	0.126	38%	0.375	C	S	.	.	I	π-helix	trans	-76.6	-40.6	179.7	-148.1	-168.5	-54.2	0	0	112.4	Y1062 G1067 C1069 C1090 Q1091 R1097 K1099 Q1169	Y1062-E1095 HydrophobicContact CD2-CB 4.24Å; Y1062-E1095 HydrophobicContact CD2-CG 4.4Å; Y1062-E1095 HydrophobicContact CE2-CB 4.22Å; Y1062-E1095 HydrophobicContact CE2-CG 4.05Å; G1067-E1095 WeakPolarHBondContact O-CG 2.99Å; C1069-E1095 PolarHBondContact N-OE1 2.87Å; C1090-E1095 PolarHBondContact O-N 3.12Å; Q1091-E1095 HydrophobicContact CB-CB 4.04Å; Q1091-E1095 HydrophobicContact CG-CB 3.79Å; Q1091-E1095 PolarHBondContact NE2-OE1 2.85Å; Q1091-E1095 PolarHBondContact O-N 2.65Å; E1095-R1097 VanDerWaalsContact C-N 3.28Å; E1095-K1099 IonicContact OE2-NZ 3.55Å; E1095-K1099 PolarHBondContact OE2-NZ 2.84Å; E1095-Q1169 PolarHBondContact O-NE2 3.23Å; E1095-Q1169 PolarHBondContact O-OE1 3Å
1096	N	62.2	Low	61.3	Low	69 Å²	69	75.4 Å²	75.4	37%	0.369	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-11.1	157.3	-64.6	-38.7	0	0	0	112.6	Q1091 Q1169	Q1091-N1096 VanDerWaalsContact O-CA 3.28Å; Q1091-N1096 WeakPolarHBondContact O-CA 3.39Å; Q1091-N1096 WeakPolarHBondContact O-CB 3.26Å; Q1091-N1096 PolarHBondContact O-N 2.78Å; N1096-Q1169 VanDerWaalsContact C-CD 3.47Å; N1096-Q1169 CarbonylContact O-C 3.49Å; N1096-Q1169 WeakPolarHBondContact O-CA 3.09Å; N1096-Q1169 WeakPolarHBondContact O-CB 3.44Å; N1096-Q1169 PolarHBondContact O-N 3.11Å; N1096-Q1169 PolarHBondContact O-OE1 2.94Å
1097	R	56	Low	60.4	Low	78 Å²	78	77.3 Å²	77.3	29%	0.294	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.9	162.8	38.7	174.1	176.5	157.7	-5.7	117.2	I1092 V1093 C1094 E1095 W1168	I1092-R1097 WeakPolarHBondContact O-CG 3.47Å; I1092-R1097 PolarHBondContact O-NE 3.37Å; V1093-R1097 WeakPolarHBondContact O-CA 3.38Å; V1093-R1097 WeakPolarHBondContact O-CG 3.21Å; C1094-R1097 CarbonylContact O-C 3.59Å; C1094-R1097 WeakPolarHBondContact O-CA 3.34Å; C1094-R1097 PolarHBondContact O-N 3.31Å; E1095-R1097 VanDerWaalsContact C-N 3.28Å; R1097-W1168 WeakPolarHBondContact O-CB 3.21Å; R1097-W1168 PolarHBondContact O-N 2.61Å
1098	L	58.2	Low	59.2	Low	31 Å²	31	77.7 Å²	77.7	16%	0.162	37%	0.369	C	S	.	.	S	Bend	trans	-144.9	19.4	-159.3	-66.1	171.8	0	0	0	119.3	C1030 Y1062 C1094 G1166 W1168 Q1169	C1030-L1098 HydrophobicContact CB-CD1 3.74Å; Y1062-L1098 HydrophobicContact CD1-CD1 3.64Å; Y1062-L1098 HydrophobicContact CE1-CB 4.21Å; Y1062-L1098 HydrophobicContact CE1-CD1 3.2Å; Y1062-L1098 HydrophobicContact CE1-CG 4.3Å; Y1062-L1098 HydrophobicContact CE2-CB 4.35Å; Y1062-L1098 HydrophobicContact CE2-CD1 4.41Å; Y1062-L1098 HydrophobicContact CG-CD1 4.4Å; Y1062-L1098 WeakPolarHBondContact OH-CB 3.49Å; C1094-L1098 WeakPolarHBondContact O-CA 3.25Å; C1094-L1098 WeakPolarHBondContact O-CB 3.18Å; C1094-L1098 WeakPolarHBondContact O-CG 3.29Å; C1094-L1098 PolarHBondContact O-N 2.71Å; L1098-G1166 VanDerWaalsContact CD2-CA 3.48Å; L1098-W1168 VanDerWaalsContact CA-CG 3.48Å; L1098-W1168 VanDerWaalsContact O-CE2 3.23Å; L1098-W1168 PolarHBondContact O-NE1 3.39Å; L1098-Q1169 VanDerWaalsContact N-OE1 3.13Å
1099	K	53.7	Low	58.1	Low	72 Å²	72	78 Å²	78	31%	0.313	38%	0.375	S	S	.	.	S	Bend	trans	-99	-23.7	160	-52.4	178.3	176.4	176.5	0	125.3	G1067 E1095 W1168	G1067-K1099 WeakPolarHBondContact O-CE 3.43Å; G1067-K1099 PolarHBondContact O-NZ 3.25Å; E1095-K1099 IonicContact OE2-NZ 3.55Å; E1095-K1099 PolarHBondContact OE2-NZ 2.84Å; K1099-W1168 VanDerWaalsContact C-CG 3.5Å; K1099-W1168 VanDerWaalsContact CA-CG 3.47Å; K1099-W1168 HydrophobicContact CB-CD2 3.84Å; K1099-W1168 HydrophobicContact CB-CE3 3.25Å; K1099-W1168 HydrophobicContact CB-CH2 2.73Å; K1099-W1168 HydrophobicContact CB-CZ2 3.38Å; K1099-W1168 HydrophobicContact CB-CZ3 2.66Å; K1099-W1168 HydrophobicContact CG-CH2 4.08Å; K1099-W1168 HydrophobicContact CG-CZ2 4.41Å; K1099-W1168 HydrophobicContact CG-CZ3 4.21Å; K1099-W1168 WeakPolarHBondContact O-CH2 3.48Å; K1099-W1168 WeakPolarHBondContact O-CZ2 3.3Å; K1099-W1168 WeakPolarHBondContact O-CZ3 3.42Å
1100	N	36.5	Very low	57.4	Low	93 Å²	93	80.2 Å²	80.2	50%	0.497	39%	0.385	S	S	.	.			trans	-126.5	88.7	-178.7	-78	-14.6	0	0	0	109.8	W1168	N1100-W1168 HydrophobicContact CB-CE3 4.29Å
1101	P	36.7	Very low	56.2	Low	78 Å²	78	86 Å²	86	51%	0.506	42%	0.423	S	S	.	.			trans	-93.4	0.5	164.2	-8.7	28.3	0	0	0	113.2	W1168	P1101-W1168 HydrophobicContact CG-CG 4.27Å
1102	K	31.1	Very low	55.4	Low	183 Å²	183	85 Å²	85	80%	0.796	42%	0.418	S	S	*	.	S	Bend	trans	-87.2	-11.9	-160.8	-73.2	-170.5	174.5	-176.4	0	117
1103	F	39.7	Very low	55.4	Low	197 Å²	197	85.8 Å²	85.8	86%	0.864	43%	0.428	S	S	*	.			trans	-141	71.1	-173.2	-68.3	-74.8	0	0	0	113.2
1104	A	41.7	Very low	55.4	Low	46 Å²	46	90.3 Å²	90.3	38%	0.38	45%	0.445	S	S	.	.			trans	-89.1	105.4	171.7	0	0	0	0	0	110.4	H1189	A1104-H1189 HydrophobicContact CB-CB 3.78Å; A1104-H1189 VanDerWaalsContact CB-ND1 3.33Å; A1104-H1189 WeakPolarHBondContact CB-ND1 3.42Å
1105	R	55.7	Low	54.7	Low	159 Å²	159	92.6 Å²	92.6	60%	0.6	46%	0.461	S	S	*	.			trans	-81.5	116.4	175.6	-73.5	174.9	172.4	162.4	-0.5	110.2	E1177 G1178 Y1180	R1105-E1177 WeakPolarHBondContact CD-OE2 3.39Å; R1105-E1177 IonicContact CZ-OE2 3.2Å; R1105-E1177 IonicContact NE-OE2 3.15Å; R1105-E1177 IonicContact NH1-OE1 2.61Å; R1105-E1177 PolarHBondContact NH1-OE1 3.47Å; R1105-E1177 IonicContact NH1-OE2 2.7Å; R1105-E1177 PolarHBondContact NH1-OE2 2.81Å; R1105-G1178 WeakPolarHBondContact O-CA 3.12Å; R1105-G1178 PolarHBondContact O-N 3.3Å; R1105-Y1180 PolarHBondContact O-OH 2.68Å
1106	C	63.6	Low	53.8	Low	34 Å²	34	97.6 Å²	97.6	23%	0.23	50%	0.495	C	S	.	.			trans	-77.5	-26.4	-179.4	-46	0	0	0	0	113.6	Y1125 H1189 C1190	C1106-Y1125 HydrophobicContact CB-CD1 4.34Å; C1106-H1189 PolarHBondContact SG-O 3.4Å; C1106-C1190 HydrophobicContact CB-CB 3.91Å; C1106-C1190 VanDerWaalsContact CB-SG 3.52Å; C1106-C1190 VanDerWaalsContact SG-SG 3.68Å
1107	H	59	Low	53.4	Low	101 Å²	101	97.7 Å²	97.7	47%	0.468	51%	0.513	S	S	.	.			trans	-86	145.6	-178.5	-120	-97.7	0	0	0	111.3	D1109 H1127	H1107-D1109 IonicContact CE1-OD1 3.76Å; H1107-D1109 IonicContact CG-OD1 3.39Å; H1107-D1109 IonicContact ND1-OD1 2.78Å; H1107-D1109 PolarHBondContact ND1-OD1 3Å; H1107-H1127 AromaticContact CD2-CD2 3.36Å; H1107-H1127 PolarHBondContact CD2-CD2 2.9Å; H1107-H1127 AromaticContact CD2-CE1 3.8Å; H1107-H1127 AromaticContact CD2-NE2 3.19Å; H1107-H1127 PolarHBondContact CD2-NE2 2.95Å; H1107-H1127 AromaticContact NE2-CD2 3.55Å; H1107-H1127 AromaticContact NE2-CG 3.94Å; H1107-H1127 AromaticContact NE2-NE2 3.85Å
1108	Y	58.6	Low	53.6	Low	70 Å²	70	95.7 Å²	95.7	28%	0.275	51%	0.511	S	S	.	.			trans	-128.3	106.8	164.3	-173.2	-122.8	0	0	0	109.9	K1110 I1112 P1176 E1177 I1179	Y1108-K1110 HydrophobicContact CD1-CB 4.41Å; Y1108-K1110 WeakPolarHBondContact CD1-O 3.46Å; Y1108-K1110 HydrophobicContact CE1-CB 3.75Å; Y1108-K1110 WeakPolarHBondContact CE1-O 3.28Å; Y1108-K1110 HydrophobicContact CE2-CB 4.01Å; Y1108-K1110 HydrophobicContact CE2-CD 4.47Å; Y1108-K1110 PolarHBondContact O-N 2.87Å; Y1108-I1112 HydrophobicContact CD1-CD1 3.94Å; Y1108-I1112 HydrophobicContact CD1-CG1 3.52Å; Y1108-I1112 HydrophobicContact CE1-CD1 4.47Å; Y1108-I1112 HydrophobicContact CE1-CG1 3.64Å; Y1108-P1176 HydrophobicContact CD2-CB 4.02Å; Y1108-P1176 HydrophobicContact CE1-CB 4.11Å; Y1108-P1176 HydrophobicContact CE2-CB 3.29Å; Y1108-P1176 HydrophobicContact CE2-CG 4.46Å; Y1108-P1176 WeakPolarHBondContact OH-CB 3.32Å; Y1108-E1177 WeakPolarHBondContact CB-O 3.22Å; Y1108-E1177 WeakPolarHBondContact CD2-O 3.23Å; Y1108-I1179 HydrophobicContact CD1-CD1 4.15Å; Y1108-I1179 HydrophobicContact CD1-CG1 4.34Å; Y1108-I1179 HydrophobicContact CE1-CD1 4.16Å; Y1108-I1179 HydrophobicContact CG-CG1 4.43Å
1109	D	55.2	Low	53.2	Low	135 Å²	135	96.8 Å²	96.8	72%	0.722	53%	0.529	S	S	*	.			trans	-89.1	17.8	-170	-52.6	-44.6	0	0	0	113.7	H1107	H1107-D1109 IonicContact CE1-OD1 3.76Å; H1107-D1109 IonicContact CG-OD1 3.39Å; H1107-D1109 IonicContact ND1-OD1 2.78Å; H1107-D1109 PolarHBondContact ND1-OD1 3Å
1110	K	58.3	Low	53.3	Low	146 Å²	146	96.6 Å²	96.6	64%	0.635	53%	0.531	S	S	*	.	S	Bend	trans	-121.4	149.2	179	-69	-178.9	179.5	-176.2	0	110.7	Y1108 I1112	Y1108-K1110 HydrophobicContact CD1-CB 4.41Å; Y1108-K1110 WeakPolarHBondContact CD1-O 3.46Å; Y1108-K1110 HydrophobicContact CE1-CB 3.75Å; Y1108-K1110 WeakPolarHBondContact CE1-O 3.28Å; Y1108-K1110 HydrophobicContact CE2-CB 4.01Å; Y1108-K1110 HydrophobicContact CE2-CD 4.47Å; Y1108-K1110 PolarHBondContact O-N 2.87Å; K1110-I1112 PolarHBondContact O-N 2.88Å
1111	P	56.2	Low	54.6	Low	123 Å²	123	94.9 Å²	94.9	80%	0.799	52%	0.52	S	S	*	.			trans	-65.1	126.7	178.4	26.5	-34.1	0	0	0	111.1
1112	I	62.1	Low	56.2	Low	36 Å²	36	91.1 Å²	91.1	19%	0.185	50%	0.496	C	S	.	.			trans	-85.9	115.9	173.9	-54.1	176.4	0	0	0	108.5	Y1108 K1110 K1114 F1135 I1179	Y1108-I1112 HydrophobicContact CD1-CD1 3.94Å; Y1108-I1112 HydrophobicContact CD1-CG1 3.52Å; Y1108-I1112 HydrophobicContact CE1-CD1 4.47Å; Y1108-I1112 HydrophobicContact CE1-CG1 3.64Å; K1110-I1112 PolarHBondContact O-N 2.88Å; I1112-K1114 HydrophobicContact CG2-CG 4.35Å; I1112-K1114 PolarHBondContact O-N 3.33Å; I1112-K1114 VanDerWaalsContact O-N 3.11Å; I1112-F1135 HydrophobicContact CD1-CE1 4.2Å; I1112-F1135 HydrophobicContact CD1-CE2 4.07Å; I1112-F1135 HydrophobicContact CD1-CZ 3.66Å; I1112-F1135 HydrophobicContact CG2-CD2 3.95Å; I1112-F1135 HydrophobicContact CG2-CE2 3.59Å; I1112-F1135 HydrophobicContact CG2-CZ 4.28Å; I1112-I1179 HydrophobicContact CD1-CD1 3.58Å; I1112-I1179 HydrophobicContact CD1-CG1 4Å; I1112-I1179 HydrophobicContact CG1-CD1 3.84Å; I1112-I1179 HydrophobicContact CG2-CD1 4.26Å
1113	T	65.4	Low	58.5	Low	101 Å²	101	83.6 Å²	83.6	62%	0.62	46%	0.463	S	S	*	.			trans	-68.2	104.5	171.9	-0.6	0	0	0	0	109.9	C1138	T1113-C1138 VanDerWaalsContact C-SG 3.52Å; T1113-C1138 PolarHBondContact O-N 3.41Å; T1113-C1138 PolarHBondContact O-SG 3.29Å; T1113-C1138 VanDerWaalsContact O-SG 3.34Å
1114	K	63.7	Low	60.3	Low	118 Å²	118	74.5 Å²	74.5	51%	0.513	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-95.3	116	179.6	-67.3	171.5	-175.6	171.7	0	109.9	I1112 F1135 E1136	I1112-K1114 HydrophobicContact CG2-CG 4.35Å; I1112-K1114 PolarHBondContact O-N 3.33Å; I1112-K1114 VanDerWaalsContact O-N 3.11Å; K1114-F1135 HydrophobicContact CD-CB 4.38Å; K1114-F1135 HydrophobicContact CG-CB 4.32Å; K1114-E1136 WeakPolarHBondContact CA-O 3.37Å
1115	C	62	Low	62	Low	48 Å²	48	74.2 Å²	74.2	32%	0.324	41%	0.413	S	S	.	.			trans	-116.2	113.2	176.2	-77.1	0	0	0	0	110	G1117 S1118 E1136 C1138	C1115-G1117 PolarHBondContact O-N 2.57Å; C1115-S1118 PolarHBondContact O-N 2.93Å; C1115-E1136 PolarHBondContact N-O 3.3Å; C1115-E1136 WeakPolarHBondContact O-CB 3.18Å; C1115-C1138 HydrophobicContact CB-CB 3.84Å; C1115-C1138 WeakPolarHBondContact CB-SG 3.38Å; C1115-C1138 PolarHBondContact N-SG 3.48Å; C1115-C1138 VanDerWaalsContact N-SG 3.38Å; C1115-C1138 WeakPolarHBondContact SG-CB 3.2Å; C1115-C1138 CovalentContact SG-SG 2.03Å; C1115-C1138 PolarHBondContact SG-SG 3.16Å
1116	P	54.8	Low	62.9	Low	131 Å²	131	68.7 Å²	68.7	85%	0.851	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	124.5	169.8	-20.3	32.5	0	0	0	110.4
1117	G	53.3	Low	62.8	Low	71 Å²	71	71.7 Å²	71.7	73%	0.732	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	8.5	176.6	0	0	0	0	0	115.9	C1115 G1119 E1136	C1115-G1117 PolarHBondContact O-N 2.57Å; G1117-G1119 VanDerWaalsContact C-N 3.26Å; G1117-G1119 PolarHBondContact O-N 2.75Å; G1117-E1136 PolarHBondContact N-OE2 2.77Å
1118	S	59.5	Low	63	Low	36 Å²	36	72.8 Å²	72.8	25%	0.252	42%	0.42	S	S	.	.			trans	-72.2	-18.7	174	71.6	0	0	0	0	113.9	C1115 I1120 I1137	C1115-S1118 PolarHBondContact O-N 2.93Å; S1118-I1120 PolarHBondContact O-N 3.21Å; S1118-I1120 VanDerWaalsContact O-N 3.12Å; S1118-I1120 PolarHBondContact OG-N 3.43Å; S1118-I1137 WeakPolarHBondContact CB-O 3.36Å; S1118-I1137 PolarHBondContact OG-O 3.23Å
1119	G	51.6	Low	63.4	Low	54 Å²	54	74.9 Å²	74.9	56%	0.557	43%	0.434	S	S	*	.			trans	72.7	-8.4	-178.1	0	0	0	0	0	115.7	G1117 Q1121	G1117-G1119 VanDerWaalsContact C-N 3.26Å; G1117-G1119 PolarHBondContact O-N 2.75Å; G1119-Q1121 PolarHBondContact O-N 3.07Å
1120	I	54	Low	63.4	Low	68 Å²	68	70.1 Å²	70.1	35%	0.349	42%	0.418	S	S	.	.			trans	-84.7	91.4	178.5	-55	177.5	0	0	0	109.4	S1118 E1136 I1137 E1139	S1118-I1120 PolarHBondContact O-N 3.21Å; S1118-I1120 VanDerWaalsContact O-N 3.12Å; S1118-I1120 PolarHBondContact OG-N 3.43Å; I1120-E1136 CarbonylContact O-C 3.38Å; I1120-E1136 WeakPolarHBondContact O-CA 3.17Å; I1120-I1137 HydrophobicContact CB-CB 4.37Å; I1120-I1137 HydrophobicContact CG2-CB 4.16Å; I1120-I1137 PolarHBondContact O-N 2.9Å; I1120-E1139 HydrophobicContact CD1-CB 4.42Å
1121	Q	64.6	Low	63.8	Low	57 Å²	57	65.2 Å²	65.2	27%	0.266	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.4	-174.1	-63	-169.1	-8.9	0	0	113.5	H1020 G1119 F1134 E1136	H1020-Q1121 PolarHBondContact CD2-OE1 3.29Å; H1020-Q1121 VanDerWaalsContact NE2-CB 3.35Å; H1020-Q1121 WeakPolarHBondContact NE2-CB 3.47Å; G1119-Q1121 PolarHBondContact O-N 3.07Å; Q1121-F1134 HydrophobicContact CB-CE2 3.8Å; Q1121-F1134 HydrophobicContact CB-CZ 4.06Å; Q1121-F1134 HydrophobicContact CG-CE2 3.91Å; Q1121-F1134 HydrophobicContact CG-CZ 3.71Å; Q1121-E1136 HydrophobicContact CG-CG 4.46Å
1122	A	70.7	Confident	64.6	Low	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	169.3	-175.8	0	0	0	0	0	113	F1135 I1137 I1179	A1122-F1135 HydrophobicContact CB-CD2 4.26Å; A1122-F1135 HydrophobicContact CB-CE2 3.74Å; A1122-F1135 HydrophobicContact CB-CZ 4.06Å; A1122-F1135 PolarHBondContact N-O 3.02Å; A1122-F1135 PolarHBondContact O-N 2.89Å; A1122-I1137 HydrophobicContact CB-CD1 3.49Å; A1122-I1137 VanDerWaalsContact CB-CD1 3.49Å; A1122-I1137 HydrophobicContact CB-CG1 3.89Å; A1122-I1179 HydrophobicContact CB-CG2 3.76Å
1123	W	79.7	Confident	65.3	Low	25 Å²	25	61.1 Å²	61.1	10%	0.095	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.6	177.8	-63.7	64.9	0	0	0	110.3	C1132 Y1133 F1134 I1179 Y1180 R1183 C1186	W1123-C1132 HydrophobicContact CE3-CB 4.12Å; W1123-C1132 VanDerWaalsContact CE3-O 3.25Å; W1123-C1132 WeakPolarHBondContact CZ3-O 3.41Å; W1123-Y1133 WeakPolarHBondContact CA-O 3.34Å; W1123-Y1133 WeakPolarHBondContact CB-O 3.43Å; W1123-Y1133 VanDerWaalsContact CE3-C 3.42Å; W1123-F1134 HydrophobicContact CD2-CB 4.11Å; W1123-F1134 AromaticContact CE2-CD2 3.7Å; W1123-F1134 HydrophobicContact CE3-CB 4.14Å; W1123-F1134 HydrophobicContact CH2-CB 3.85Å; W1123-F1134 HydrophobicContact CZ2-CB 3.8Å; W1123-F1134 AromaticContact CZ2-CD2 3.72Å; W1123-F1134 HydrophobicContact CZ2-CD2 3.72Å; W1123-F1134 HydrophobicContact CZ2-CG 4.23Å; W1123-F1134 HydrophobicContact CZ3-CB 3.99Å; W1123-F1134 AromaticContact NE1-CD2 3.55Å; W1123-I1179 CarbonylContact O-C 3.53Å; W1123-I1179 WeakPolarHBondContact O-CA 3.31Å; W1123-Y1180 PolarHBondContact N-O 2.8Å; W1123-Y1180 PolarHBondContact O-N 3.11Å; W1123-R1183 HydrophobicContact CD2-CB 3.52Å; W1123-R1183 HydrophobicContact CD2-CG 4.12Å; W1123-R1183 HydrophobicContact CE3-CB 3.56Å; W1123-R1183 HydrophobicContact CE3-CG 3.6Å; W1123-R1183 HydrophobicContact CG-CB 4.17Å; W1123-R1183 HydrophobicContact CH2-CB 3.93Å; W1123-R1183 HydrophobicContact CH2-CG 4.04Å; W1123-R1183 HydrophobicContact CZ2-CB 3.89Å; W1123-R1183 HydrophobicContact CZ3-CB 3.79Å; W1123-R1183 HydrophobicContact CZ3-CG 3.58Å; W1123-C1186 HydrophobicContact CB-CB 4.43Å
1124	A	77.4	Confident	65.9	Low	5 Å²	5	60.1 Å²	60.1	4%	0.041	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.4	169.2	0	0	0	0	0	109	C1132 Y1133 F1135 G1178 C1186	A1124-C1132 CarbonylContact O-C 3.46Å; A1124-C1132 WeakPolarHBondContact O-CA 3.17Å; A1124-Y1133 HydrophobicContact CB-CD1 4.5Å; A1124-Y1133 HydrophobicContact CB-CE1 3.83Å; A1124-Y1133 PolarHBondContact N-O 3.07Å; A1124-Y1133 VanDerWaalsContact N-O 3.15Å; A1124-Y1133 WeakPolarHBondContact O-CD1 3.11Å; A1124-Y1133 PolarHBondContact O-N 3.28Å; A1124-F1135 HydrophobicContact CB-CE1 3.6Å; A1124-F1135 HydrophobicContact CB-CZ 3.98Å; A1124-G1178 WeakPolarHBondContact CA-O 3.47Å; A1124-G1178 WeakPolarHBondContact CB-O 3.47Å; A1124-C1186 VanDerWaalsContact C-SG 3.52Å
1125	Y	75.9	Confident	66.4	Low	40 Å²	40	55 Å²	55	16%	0.157	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.6	175.9	-172	-118.6	0	0	0	109.2	C1106 H1127 C1186 C1190 L1191	C1106-Y1125 HydrophobicContact CB-CD1 4.34Å; Y1125-H1127 AromaticContact CD1-CD2 3.55Å; Y1125-H1127 AromaticContact CD1-CE1 3.78Å; Y1125-H1127 AromaticContact CD1-CG 3.97Å; Y1125-H1127 AromaticContact CD1-NE2 3.41Å; Y1125-H1127 WeakPolarHBondContact CD1-NE2 3.32Å; Y1125-H1127 AromaticContact CE1-CD2 3.96Å; Y1125-H1127 AromaticContact CE1-CE1 3.68Å; Y1125-H1127 AromaticContact CE1-CG 3.91Å; Y1125-H1127 AromaticContact CE1-ND1 3.73Å; Y1125-H1127 AromaticContact CE1-NE2 3.8Å; Y1125-C1186 PolarHBondContact N-SG 2.96Å; Y1125-C1186 VanDerWaalsContact N-SG 3.37Å; Y1125-C1190 HydrophobicContact CD1-CB 3.8Å; Y1125-C1190 HydrophobicContact CD2-CB 3.61Å; Y1125-C1190 HydrophobicContact CE1-CB 4.34Å; Y1125-C1190 HydrophobicContact CE2-CB 4.18Å; Y1125-C1190 HydrophobicContact CG-CB 3.39Å; Y1125-L1191 HydrophobicContact CE2-CD2 3.77Å
1126	N	74.5	Confident	66.8	Low	43 Å²	43	54.9 Å²	54.9	23%	0.23	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.3	169.9	-173.1	2.7	0	0	0	109.7	T1128 I1129 G1130 D1131 Y1133	N1126-T1128 PolarHBondContact ND2-OG1 3.32Å; N1126-T1128 PolarHBondContact O-N 3.47Å; N1126-T1128 VanDerWaalsContact O-N 3.13Å; N1126-T1128 PolarHBondContact OD1-N 2.78Å; N1126-T1128 PolarHBondContact OD1-OG1 3.12Å; N1126-T1128 VanDerWaalsContact OD1-OG1 3.13Å; N1126-I1129 HydrophobicContact CB-CB 4.22Å; N1126-I1129 HydrophobicContact CB-CD1 4.26Å; N1126-I1129 HydrophobicContact CB-CG1 4.32Å; N1126-I1129 VanDerWaalsContact ND2-CD1 3.29Å; N1126-I1129 WeakPolarHBondContact ND2-CD1 3.14Å; N1126-I1129 WeakPolarHBondContact ND2-CG1 3.39Å; N1126-I1129 PolarHBondContact O-N 3.2Å; N1126-G1130 PolarHBondContact O-N 3.1Å; N1126-D1131 PolarHBondContact N-O 3.1Å; N1126-Y1133 HydrophobicContact CB-CD1 3.66Å; N1126-Y1133 HydrophobicContact CB-CE1 4.03Å
1127	H	62.5	Low	67.2	Low	98 Å²	98	50 Å²	50	45%	0.454	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24	174.6	-75.8	-94.9	0	0	0	113.4	H1107 Y1125	H1107-H1127 AromaticContact CD2-CD2 3.36Å; H1107-H1127 PolarHBondContact CD2-CD2 2.9Å; H1107-H1127 AromaticContact CD2-CE1 3.8Å; H1107-H1127 AromaticContact CD2-NE2 3.19Å; H1107-H1127 PolarHBondContact CD2-NE2 2.95Å; H1107-H1127 AromaticContact NE2-CD2 3.55Å; H1107-H1127 AromaticContact NE2-CG 3.94Å; H1107-H1127 AromaticContact NE2-NE2 3.85Å; Y1125-H1127 AromaticContact CD1-CD2 3.55Å; Y1125-H1127 AromaticContact CD1-CE1 3.78Å; Y1125-H1127 AromaticContact CD1-CG 3.97Å; Y1125-H1127 AromaticContact CD1-NE2 3.41Å; Y1125-H1127 WeakPolarHBondContact CD1-NE2 3.32Å; Y1125-H1127 AromaticContact CE1-CD2 3.96Å; Y1125-H1127 AromaticContact CE1-CE1 3.68Å; Y1125-H1127 AromaticContact CE1-CG 3.91Å; Y1125-H1127 AromaticContact CE1-ND1 3.73Å; Y1125-H1127 AromaticContact CE1-NE2 3.8Å
1128	T	64	Low	67.5	Low	124 Å²	124	47.8 Å²	47.8	76%	0.761	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6	175.4	81.9	0	0	0	0	114.4	N1126	N1126-T1128 PolarHBondContact ND2-OG1 3.32Å; N1126-T1128 PolarHBondContact O-N 3.47Å; N1126-T1128 VanDerWaalsContact O-N 3.13Å; N1126-T1128 PolarHBondContact OD1-N 2.78Å; N1126-T1128 PolarHBondContact OD1-OG1 3.12Å; N1126-T1128 VanDerWaalsContact OD1-OG1 3.13Å
1129	I	66	Low	67.3	Low	113 Å²	113	53.5 Å²	53.5	58%	0.579	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-19.3	177.4	-62.2	173.8	0	0	0	110.9	N1126 D1131	N1126-I1129 HydrophobicContact CB-CB 4.22Å; N1126-I1129 HydrophobicContact CB-CD1 4.26Å; N1126-I1129 HydrophobicContact CB-CG1 4.32Å; N1126-I1129 VanDerWaalsContact ND2-CD1 3.29Å; N1126-I1129 WeakPolarHBondContact ND2-CD1 3.14Å; N1126-I1129 WeakPolarHBondContact ND2-CG1 3.39Å; N1126-I1129 PolarHBondContact O-N 3.2Å; I1129-D1131 HydrophobicContact CG2-CB 4.15Å; I1129-D1131 PolarHBondContact O-N 2.64Å
1130	G	56.2	Low	67.4	Low	36 Å²	36	55.7 Å²	55.7	37%	0.371	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	14	-173.8	0	0	0	0	0	113.5	N1126 L1191	N1126-G1130 PolarHBondContact O-N 3.1Å; G1130-L1191 WeakPolarHBondContact O-CD2 3.47Å
1131	D	64.8	Low	67	Low	43 Å²	43	60.9 Å²	60.9	23%	0.23	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.9	-175.4	-171.8	32.2	0	0	0	112.1	N1126 I1129 R1183 Q1187	N1126-D1131 PolarHBondContact N-O 3.1Å; I1129-D1131 HydrophobicContact CG2-CB 4.15Å; I1129-D1131 PolarHBondContact O-N 2.64Å; D1131-R1183 IonicContact OD1-CZ 3.63Å; D1131-R1183 IonicContact OD1-NH1 3.5Å; D1131-R1183 IonicContact OD1-NH2 2.83Å; D1131-R1183 PolarHBondContact OD1-NH2 2.75Å; D1131-R1183 IonicContact OD2-CZ 3.38Å; D1131-R1183 IonicContact OD2-NH1 2.75Å; D1131-R1183 PolarHBondContact OD2-NH1 3.39Å; D1131-R1183 IonicContact OD2-NH2 2.66Å; D1131-R1183 PolarHBondContact OD2-NH2 2.92Å; D1131-Q1187 PolarHBondContact OD1-NE2 2.82Å; D1131-Q1187 VanDerWaalsContact OD1-NE2 3.11Å
1132	C	73.7	Confident	65.6	Low	2 Å²	2	67.4 Å²	67.4	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121	177.6	-64.7	0	0	0	0	111.4	W1123 A1124 R1183 C1186 Q1187	W1123-C1132 HydrophobicContact CE3-CB 4.12Å; W1123-C1132 VanDerWaalsContact CE3-O 3.25Å; W1123-C1132 WeakPolarHBondContact CZ3-O 3.41Å; A1124-C1132 CarbonylContact O-C 3.46Å; A1124-C1132 WeakPolarHBondContact O-CA 3.17Å; C1132-R1183 HydrophobicContact CB-CG 4.09Å; C1132-R1183 PolarHBondContact O-NH1 2.76Å; C1132-C1186 HydrophobicContact CB-CB 3.76Å; C1132-C1186 WeakPolarHBondContact CB-SG 3.41Å; C1132-C1186 WeakPolarHBondContact SG-CB 3.32Å; C1132-C1186 CovalentContact SG-SG 2.02Å; C1132-C1186 PolarHBondContact SG-SG 2.93Å; C1132-Q1187 HydrophobicContact CB-CG 4.15Å; C1132-Q1187 VanDerWaalsContact SG-CG 3.6Å; C1132-Q1187 PolarHBondContact SG-N 3.41Å
1133	Y	76.7	Confident	63.9	Low	70 Å²	70	75.2 Å²	75.2	28%	0.275	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	154.5	177	77.8	-80	0	0	0	112.1	W1123 A1124 N1126 F1135	W1123-Y1133 WeakPolarHBondContact CA-O 3.34Å; W1123-Y1133 WeakPolarHBondContact CB-O 3.43Å; W1123-Y1133 VanDerWaalsContact CE3-C 3.42Å; A1124-Y1133 HydrophobicContact CB-CD1 4.5Å; A1124-Y1133 HydrophobicContact CB-CE1 3.83Å; A1124-Y1133 PolarHBondContact N-O 3.07Å; A1124-Y1133 VanDerWaalsContact N-O 3.15Å; A1124-Y1133 WeakPolarHBondContact O-CD1 3.11Å; A1124-Y1133 PolarHBondContact O-N 3.28Å; N1126-Y1133 HydrophobicContact CB-CD1 3.66Å; N1126-Y1133 HydrophobicContact CB-CE1 4.03Å; Y1133-F1135 AromaticContact CD2-CD1 3.78Å; Y1133-F1135 HydrophobicContact CD2-CD1 3.78Å; Y1133-F1135 HydrophobicContact CD2-CE1 4.43Å; Y1133-F1135 HydrophobicContact CE1-CE1 4.49Å; Y1133-F1135 HydrophobicContact CE2-CB 4.47Å; Y1133-F1135 AromaticContact CE2-CD1 3.32Å; Y1133-F1135 HydrophobicContact CE2-CD1 3.32Å; Y1133-F1135 AromaticContact CE2-CE1 3.84Å; Y1133-F1135 HydrophobicContact CE2-CE1 3.84Å; Y1133-F1135 HydrophobicContact CE2-CG 4.22Å; Y1133-F1135 AromaticContact CZ-CD1 3.86Å; Y1133-F1135 AromaticContact CZ-CE1 3.89Å
1134	F	79.1	Confident	61.6	Low	81 Å²	81	83 Å²	83	36%	0.355	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.2	-179.5	171.9	-83.1	0	0	0	111.3	Q1121 W1123 E1136	Q1121-F1134 HydrophobicContact CB-CE2 3.8Å; Q1121-F1134 HydrophobicContact CB-CZ 4.06Å; Q1121-F1134 HydrophobicContact CG-CE2 3.91Å; Q1121-F1134 HydrophobicContact CG-CZ 3.71Å; W1123-F1134 HydrophobicContact CD2-CB 4.11Å; W1123-F1134 AromaticContact CE2-CD2 3.7Å; W1123-F1134 HydrophobicContact CE3-CB 4.14Å; W1123-F1134 HydrophobicContact CH2-CB 3.85Å; W1123-F1134 HydrophobicContact CZ2-CB 3.8Å; W1123-F1134 AromaticContact CZ2-CD2 3.72Å; W1123-F1134 HydrophobicContact CZ2-CD2 3.72Å; W1123-F1134 HydrophobicContact CZ2-CG 4.23Å; W1123-F1134 HydrophobicContact CZ3-CB 3.99Å; W1123-F1134 AromaticContact NE1-CD2 3.55Å; F1134-E1136 HydrophobicContact CE1-CG 4.27Å; F1134-E1136 HydrophobicContact CZ-CG 4.4Å
1135	F	73.8	Confident	59.3	Low	11 Å²	11	87.2 Å²	87.2	5%	0.048	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	167.3	168.9	53.1	-87.3	0	0	0	111.9	I1112 K1114 A1122 A1124 Y1133 I1137 I1179	I1112-F1135 HydrophobicContact CD1-CE1 4.2Å; I1112-F1135 HydrophobicContact CD1-CE2 4.07Å; I1112-F1135 HydrophobicContact CD1-CZ 3.66Å; I1112-F1135 HydrophobicContact CG2-CD2 3.95Å; I1112-F1135 HydrophobicContact CG2-CE2 3.59Å; I1112-F1135 HydrophobicContact CG2-CZ 4.28Å; K1114-F1135 HydrophobicContact CD-CB 4.38Å; K1114-F1135 HydrophobicContact CG-CB 4.32Å; A1122-F1135 HydrophobicContact CB-CD2 4.26Å; A1122-F1135 HydrophobicContact CB-CE2 3.74Å; A1122-F1135 HydrophobicContact CB-CZ 4.06Å; A1122-F1135 PolarHBondContact N-O 3.02Å; A1122-F1135 PolarHBondContact O-N 2.89Å; A1124-F1135 HydrophobicContact CB-CE1 3.6Å; A1124-F1135 HydrophobicContact CB-CZ 3.98Å; Y1133-F1135 AromaticContact CD2-CD1 3.78Å; Y1133-F1135 HydrophobicContact CD2-CD1 3.78Å; Y1133-F1135 HydrophobicContact CD2-CE1 4.43Å; Y1133-F1135 HydrophobicContact CE1-CE1 4.49Å; Y1133-F1135 HydrophobicContact CE2-CB 4.47Å; Y1133-F1135 AromaticContact CE2-CD1 3.32Å; Y1133-F1135 HydrophobicContact CE2-CD1 3.32Å; Y1133-F1135 AromaticContact CE2-CE1 3.84Å; Y1133-F1135 HydrophobicContact CE2-CE1 3.84Å; Y1133-F1135 HydrophobicContact CE2-CG 4.22Å; Y1133-F1135 AromaticContact CZ-CD1 3.86Å; Y1133-F1135 AromaticContact CZ-CE1 3.89Å; F1135-I1137 HydrophobicContact CD2-CG1 3.89Å; F1135-I1137 HydrophobicContact CE2-CD1 4.04Å; F1135-I1137 HydrophobicContact CE2-CG1 3.63Å; F1135-I1179 HydrophobicContact CE2-CD1 4.27Å; F1135-I1179 HydrophobicContact CE2-CG2 4.24Å; F1135-I1179 HydrophobicContact CZ-CD1 4.08Å; F1135-I1179 HydrophobicContact CZ-CG1 4.19Å; F1135-I1179 HydrophobicContact CZ-CG2 3.81Å
1136	E	68.9	Low	57.2	Low	45 Å²	45	93.5 Å²	93.5	21%	0.21	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.5	170.8	-59.5	-167.9	136.6	0	0	110	K1114 C1115 G1117 I1120 Q1121 F1134	K1114-E1136 WeakPolarHBondContact CA-O 3.37Å; C1115-E1136 PolarHBondContact N-O 3.3Å; C1115-E1136 WeakPolarHBondContact O-CB 3.18Å; G1117-E1136 PolarHBondContact N-OE2 2.77Å; I1120-E1136 CarbonylContact O-C 3.38Å; I1120-E1136 WeakPolarHBondContact O-CA 3.17Å; Q1121-E1136 HydrophobicContact CG-CG 4.46Å; F1134-E1136 HydrophobicContact CE1-CG 4.27Å; F1134-E1136 HydrophobicContact CZ-CG 4.4Å
1137	I	65	Low	55.1	Low	28 Å²	28	98.7 Å²	98.7	14%	0.144	50%	0.497	C	S	.	.	B	Isolated β-bridge	trans	-97.2	133.1	-178.3	-57.5	177	0	0	0	109.4	S1118 I1120 A1122 F1135 L1175 I1179	S1118-I1137 WeakPolarHBondContact CB-O 3.36Å; S1118-I1137 PolarHBondContact OG-O 3.23Å; I1120-I1137 HydrophobicContact CB-CB 4.37Å; I1120-I1137 HydrophobicContact CG2-CB 4.16Å; I1120-I1137 PolarHBondContact O-N 2.9Å; A1122-I1137 HydrophobicContact CB-CD1 3.49Å; A1122-I1137 VanDerWaalsContact CB-CD1 3.49Å; A1122-I1137 HydrophobicContact CB-CG1 3.89Å; F1135-I1137 HydrophobicContact CD2-CG1 3.89Å; F1135-I1137 HydrophobicContact CE2-CD1 4.04Å; F1135-I1137 HydrophobicContact CE2-CG1 3.63Å; I1137-L1175 HydrophobicContact CD1-CD2 3.75Å; I1137-I1179 HydrophobicContact CD1-CG2 4.2Å
1138	C	58.5	Low	53.6	Low	24 Å²	24	101.3 Å²	101.3	16%	0.162	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-56.6	138.4	172.1	-58	0	0	0	0	112.1	T1113 C1115	T1113-C1138 VanDerWaalsContact C-SG 3.52Å; T1113-C1138 PolarHBondContact O-N 3.41Å; T1113-C1138 PolarHBondContact O-SG 3.29Å; T1113-C1138 VanDerWaalsContact O-SG 3.34Å; C1115-C1138 HydrophobicContact CB-CB 3.84Å; C1115-C1138 WeakPolarHBondContact CB-SG 3.38Å; C1115-C1138 PolarHBondContact N-SG 3.48Å; C1115-C1138 VanDerWaalsContact N-SG 3.38Å; C1115-C1138 WeakPolarHBondContact SG-CB 3.2Å; C1115-C1138 CovalentContact SG-SG 2.03Å; C1115-C1138 PolarHBondContact SG-SG 3.16Å
1139	E	55.7	Low	51.9	Low	156 Å²	156	102.2 Å²	102.2	73%	0.729	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-65.5	131.7	166.2	-167.1	166.3	-125.7	0	0	108.4	I1120	I1120-E1139 HydrophobicContact CD1-CB 4.42Å
1140	P	54	Low	49.9	Very low	101 Å²	101	101.9 Å²	101.9	66%	0.656	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-71.6	132.6	179	28.8	-33.4	0	0	0	110.3	E1142	P1140-E1142 PolarHBondContact O-N 3.42Å
1141	E	45.8	Very low	48.6	Very low	176 Å²	176	107.3 Å²	107.3	82%	0.822	53%	0.529	S	S	*	.			trans	-67.6	101.8	177.8	-65.7	-169.4	167.3	0	0	111.2	K1143	E1141-K1143 PolarHBondContact O-N 3.42Å
1142	E	34.7	Very low	47	Very low	194 Å²	194	113 Å²	113	91%	0.907	55%	0.552	S	S	*	*			trans	-68	117	174.6	-69.9	-170.2	159.2	0	0	111.5	P1140	P1140-E1142 PolarHBondContact O-N 3.42Å
1143	K	33.9	Very low	44.9	Very low	164 Å²	164	122.1 Å²	122.1	71%	0.713	59%	0.591	S	S	*	*			trans	-135.2	120	163.1	-75.3	-179.4	-179.1	163.6	0	110	E1141	E1141-K1143 PolarHBondContact O-N 3.42Å
1144	E	31.8	Very low	42.4	Very low	188 Å²	188	127.9 Å²	127.9	88%	0.879	62%	0.618	S	S	*	*			trans	64.5	139.5	161.1	-66.6	159.1	-154.5	0	0	115.7
1145	S	30.4	Very low	39.8	Very low	95 Å²	95	129.8 Å²	129.8	66%	0.664	64%	0.641	S	S	*	*			cis	-165.7	147.8	-5.9	51	0	0	0	0	110
1146	E	31.1	Very low	37.5	Very low	171 Å²	171	136.1 Å²	136.1	80%	0.799	67%	0.669	S	S	*	*			trans	65	141.1	164.4	-61.9	-168.6	128.7	0	0	116.9
1147	F	31.1	Very low	35.4	Very low	152 Å²	152	145.7 Å²	145.7	67%	0.667	70%	0.703	S	S	*	*			cis	-150.9	143.9	6.6	-148	-116.7	0	0	0	108.9
1148	Q	29.3	Very low	33.7	Very low	153 Å²	153	147.6 Å²	147.6	72%	0.715	71%	0.714	S	S	*	*	S	Bend	trans	42.3	124.9	162.1	-64.6	-176.7	16.5	0	0	120.5
1149	I	28.4	Very low	32.1	Very low	143 Å²	143	156.1 Å²	156.1	73%	0.733	74%	0.742	S	S	*	*			cis	-145	142.7	1.6	-94.8	164.6	0	0	0	107.8
1150	P	25.2	Very low	30.8	Very low	107 Å²	107	151.7 Å²	151.7	70%	0.695	72%	0.719	S	S	*	*			trans	-90.1	-179.4	-172.6	36.7	-38.2	0	0	0	114.4
1151	Q	28.6	Very low	29.4	Very low	149 Å²	149	150.4 Å²	150.4	70%	0.696	71%	0.709	S	S	*	*			trans	104.2	143	171.7	-59.3	176.4	82.3	0	0	115.1
1152	K	30.8	Very low	28.5	Very low	163 Å²	163	145.3 Å²	145.3	71%	0.709	69%	0.693	S	S	*	*			cis	-163.2	142.8	-11.9	-113.8	165.8	-171	161.1	0	110.2
1153	K	29.9	Very low	28.2	Very low	193 Å²	193	143.6 Å²	143.6	84%	0.839	69%	0.685	S	S	*	*			trans	51.4	117.1	150.5	-64.7	-169.6	173.4	-168.8	0	120.1
1154	F	23.7	Very low	27.8	Very low	191 Å²	191	141.8 Å²	141.8	84%	0.838	67%	0.674	S	S	*	*			trans	-47.9	150.4	159.8	-66.9	-101.3	0	0	0	114.5
1155	S	26.1	Very low	27.7	Very low	121 Å²	121	136.7 Å²	136.7	85%	0.846	65%	0.652	S	S	*	*			trans	-153.8	112.9	163.6	176.6	0	0	0	0	111.4
1156	F	24.1	Very low	27.6	Very low	144 Å²	144	132.4 Å²	132.4	63%	0.632	62%	0.623	S	S	*	*			trans	-86.6	140.7	179.9	-62.1	-105.7	0	0	0	112.3
1157	R	25.3	Very low	27.3	Very low	246 Å²	246	125.7 Å²	125.7	93%	0.928	59%	0.594	S	S	*	*			trans	-167.7	146.9	146.1	-113	166.3	-172.3	-172	2.1	115
1158	L	28.4	Very low	27.1	Very low	68 Å²	68	122.9 Å²	122.9	36%	0.356	58%	0.579	S	S	.	*			trans	-96.5	151.7	-166.9	-67.7	66.7	0	0	0	113.9	Q1019 T1022	Q1019-L1158 HydrophobicContact CG-CD1 4.4Å; Q1019-L1158 HydrophobicContact CG-CD2 4.2Å; T1022-L1158 HydrophobicContact CG2-CB 3.99Å; T1022-L1158 HydrophobicContact CG2-CD2 3.93Å; T1022-L1158 HydrophobicContact CG2-CG 3.74Å; T1022-L1158 WeakPolarHBondContact OG1-CD2 3.48Å
1159	R	26.2	Very low	27.2	Very low	203 Å²	203	116.3 Å²	116.3	77%	0.766	55%	0.548	S	S	*	.				170.5	109.3	118	-93.4	173.5	176.5	-164.1	-2.2	113.8	R1080	R1080-R1159 PolarHBondContact NH2-O 2.78Å
1160	R	27.1	Very low	27.1	Very low	63 Å²	63	114 Å²	114	24%	0.238	55%	0.551	C	S	.	*			trans	-83.6	172.2	-177	-68.9	168.2	171.1	-140	22.6	116	H1021 T1022 Y1025 D1028 F1214	H1021-R1160 PolarHBondContact O-NH2 3.06Å; T1022-R1160 HydrophobicContact CG2-CG 4.01Å; T1022-R1160 VanDerWaalsContact O-CZ 3.25Å; T1022-R1160 PolarHBondContact O-NE 3.24Å; T1022-R1160 PolarHBondContact O-NH2 2.76Å; Y1025-R1160 PolarHBondContact O-NH1 3.3Å; Y1025-R1160 PolarHBondContact O-NH2 3.5Å; Y1025-R1160 VanDerWaalsContact O-NH2 3.1Å; D1028-R1160 IonicContact OD2-NH1 3.69Å; R1160-F1214 HydrophobicContact CB-CD2 4.02Å; R1160-F1214 HydrophobicContact CG-CD2 4.34Å; R1160-F1214 HydrophobicContact CG-CE2 4.46Å
1161	T	25.6	Very low	27.3	Very low	74 Å²	74	117.2 Å²	117.2	45%	0.454	55%	0.549	S	S	.	.			trans	-147.1	149.3	161.4	38.6	0	0	0	0	110	R1080	R1080-T1161 WeakPolarHBondContact CD-OG1 3.19Å
1162	S	26.4	Very low	27.3	Very low	69 Å²	69	116.5 Å²	116.5	48%	0.483	56%	0.555	S	S	.	*	S	Bend	trans	50.4	123.2	155.6	47.9	0	0	0	0	123.5
1163	Q	29	Very low	27.6	Very low	158 Å²	158	112.4 Å²	112.4	74%	0.738	56%	0.559	S	S	*	*			trans	62.1	76.1	133.1	-61.6	-178.4	-35.7	0	0	123.1
1164	W	25.8	Very low	28.4	Very low	127 Å²	127	109.6 Å²	109.6	48%	0.481	55%	0.553	S	S	.	*			trans	61.5	167.4	143.9	-70.3	128.5	0	0	0	118.2	D1028 V1210	D1028-W1164 CarbonylContact C-O 3.07Å; D1028-W1164 WeakPolarHBondContact CA-O 3.38Å; D1028-W1164 WeakPolarHBondContact CB-O 3.25Å; D1028-W1164 WeakPolarHBondContact OD1-CA 3.49Å; W1164-V1210 HydrophobicContact CH2-CG1 3.42Å; W1164-V1210 VanDerWaalsContact CH2-CG1 3.42Å; W1164-V1210 HydrophobicContact CZ2-CG1 3.77Å
1165	L	28.9	Very low	29.7	Very low	80 Å²	80	103.7 Å²	103.7	42%	0.419	53%	0.53	S	S	.	.			cis	-155	144.2	-8.8	-138.7	-177.8	0	0	0	106.9	D1028 L1031	D1028-L1165 PolarHBondContact OD1-N 3.17Å; L1031-L1165 HydrophobicContact CD1-CB 3.65Å; L1031-L1165 VanDerWaalsContact CD1-N 3.28Å; L1031-L1165 HydrophobicContact CG-CB 4.39Å; L1031-L1165 WeakPolarHBondContact CG-O 3.35Å
1166	G	28	Very low	31.3	Very low	5 Å²	5	100 Å²	100	5%	0.052	50%	0.503	C	S	.	.			trans	171.9	80.3	173.6	0	0	0	0	0	119	W1027 L1098	W1027-G1166 VanDerWaalsContact CB-O 3.29Å; W1027-G1166 WeakPolarHBondContact CB-O 3.38Å; W1027-G1166 VanDerWaalsContact CD1-O 3.27Å; L1098-G1166 VanDerWaalsContact CD2-CA 3.48Å
1167	V	25.7	Very low	32.9	Very low	30 Å²	30	98.4 Å²	98.4	18%	0.182	50%	0.498	C	S	.	.			trans	-89.7	122.9	173.2	170.1	0	0	0	0	111.3	W1027 Y1188	W1027-V1167 HydrophobicContact CZ2-CG2 4.31Å; V1167-Y1188 HydrophobicContact CB-CE1 4.49Å; V1167-Y1188 HydrophobicContact CG2-CD1 4.27Å; V1167-Y1188 HydrophobicContact CG2-CE1 3.83Å
1168	W	27.5	Very low	34.8	Very low	94 Å²	94	86.9 Å²	86.9	36%	0.356	46%	0.455	S	S	.	.			trans	-168.7	-124.3	175.3	-119.3	102.2	0	0	0	113	R1097 L1098 K1099 N1100 P1101 A1170	R1097-W1168 WeakPolarHBondContact O-CB 3.21Å; R1097-W1168 PolarHBondContact O-N 2.61Å; L1098-W1168 VanDerWaalsContact CA-CG 3.48Å; L1098-W1168 VanDerWaalsContact O-CE2 3.23Å; L1098-W1168 PolarHBondContact O-NE1 3.39Å; K1099-W1168 VanDerWaalsContact C-CG 3.5Å; K1099-W1168 VanDerWaalsContact CA-CG 3.47Å; K1099-W1168 HydrophobicContact CB-CD2 3.84Å; K1099-W1168 HydrophobicContact CB-CE3 3.25Å; K1099-W1168 HydrophobicContact CB-CH2 2.73Å; K1099-W1168 HydrophobicContact CB-CZ2 3.38Å; K1099-W1168 HydrophobicContact CB-CZ3 2.66Å; K1099-W1168 HydrophobicContact CG-CH2 4.08Å; K1099-W1168 HydrophobicContact CG-CZ2 4.41Å; K1099-W1168 HydrophobicContact CG-CZ3 4.21Å; K1099-W1168 WeakPolarHBondContact O-CH2 3.48Å; K1099-W1168 WeakPolarHBondContact O-CZ2 3.3Å; K1099-W1168 WeakPolarHBondContact O-CZ3 3.42Å; N1100-W1168 HydrophobicContact CB-CE3 4.29Å; P1101-W1168 HydrophobicContact CG-CG 4.27Å; W1168-A1170 PolarHBondContact O-N 2.76Å
1169	Q	29.7	Very low	36.8	Very low	15 Å²	15	84.2 Å²	84.2	7%	0.07	44%	0.441	C	S	.	.			trans	-67.7	102.9	-167.8	-40.2	78.6	-47.7	0	0	114.6	E1095 N1096 L1098 R1171	E1095-Q1169 PolarHBondContact O-NE2 3.23Å; E1095-Q1169 PolarHBondContact O-OE1 3Å; N1096-Q1169 VanDerWaalsContact C-CD 3.47Å; N1096-Q1169 CarbonylContact O-C 3.49Å; N1096-Q1169 WeakPolarHBondContact O-CA 3.09Å; N1096-Q1169 WeakPolarHBondContact O-CB 3.44Å; N1096-Q1169 PolarHBondContact O-N 3.11Å; N1096-Q1169 PolarHBondContact O-OE1 2.94Å; L1098-Q1169 VanDerWaalsContact N-OE1 3.13Å; Q1169-R1171 HydrophobicContact CB-CB 3.93Å; Q1169-R1171 HydrophobicContact CB-CG 3.94Å; Q1169-R1171 HydrophobicContact CG-CB 4.28Å; Q1169-R1171 HydrophobicContact CG-CG 3.88Å
1170	A	27.9	Very low	38.9	Very low	95 Å²	95	75.7 Å²	75.7	79%	0.785	41%	0.409	S	S	*	.				-66.8	129.2	111.9	0	0	0	0	0	108.6	W1168	W1168-A1170 PolarHBondContact O-N 2.76Å
1171	R	27.7	Very low	40.2	Very low	173 Å²	173	75.2 Å²	75.2	65%	0.653	42%	0.419	S	S	*	.			trans	-138.5	-26.1	167.8	-104.8	-165.8	-175.2	-150.5	0.5	114.4	Q1169	Q1169-R1171 HydrophobicContact CB-CB 3.93Å; Q1169-R1171 HydrophobicContact CB-CG 3.94Å; Q1169-R1171 HydrophobicContact CG-CB 4.28Å; Q1169-R1171 HydrophobicContact CG-CG 3.88Å
1172	T	29.1	Very low	41.6	Very low	135 Å²	135	72 Å²	72	83%	0.828	40%	0.399	S	S	*	.	S	Bend	trans	-147.7	141.8	175.2	45.5	0	0	0	0	109.8
1173	G	37.2	Very low	43.4	Very low	77 Å²	77	72.5 Å²	72.5	79%	0.794	39%	0.39	S	S	*	.	S	Bend	trans	112.4	-12.5	176	0	0	0	0	0	115.8
1174	N	47.2	Very low	44.4	Very low	133 Å²	133	66.3 Å²	66.3	71%	0.711	36%	0.364	S	S	*	.			trans	37	84.4	151	-53.6	5.9	0	0	0	117.4
1175	L	51.7	Low	45.7	Very low	68 Å²	68	60.6 Å²	60.6	36%	0.356	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-57.8	141.4	132.9	-76.2	171.2	0	0	0	107.6	I1137 I1179 A1181	I1137-L1175 HydrophobicContact CD1-CD2 3.75Å; L1175-I1179 HydrophobicContact CB-CB 4.45Å; L1175-I1179 HydrophobicContact CB-CG2 4.4Å; L1175-I1179 HydrophobicContact CD1-CG2 4.48Å; L1175-I1179 HydrophobicContact CD2-CG2 4.08Å; L1175-A1181 VanDerWaalsContact CD1-CA 3.49Å; L1175-A1181 HydrophobicContact CD1-CB 3.68Å
1176	P	58.5	Low	47.6	Very low	44 Å²	44	56.8 Å²	56.8	29%	0.286	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-56.1	154.8	175	-23.2	31.2	0	0	0	112.7	Y1108 I1179	Y1108-P1176 HydrophobicContact CD2-CB 4.02Å; Y1108-P1176 HydrophobicContact CE1-CB 4.11Å; Y1108-P1176 HydrophobicContact CE2-CB 3.29Å; Y1108-P1176 HydrophobicContact CE2-CG 4.46Å; Y1108-P1176 WeakPolarHBondContact OH-CB 3.32Å; P1176-I1179 HydrophobicContact CB-CD1 3.86Å; P1176-I1179 HydrophobicContact CB-CG1 4.23Å; P1176-I1179 HydrophobicContact CG-CD1 3.83Å; P1176-I1179 WeakPolarHBondContact O-CA 3.45Å; P1176-I1179 VanDerWaalsContact O-CB 3.29Å; P1176-I1179 WeakPolarHBondContact O-CB 3.41Å; P1176-I1179 PolarHBondContact O-N 3Å
1177	E	57.1	Low	49.3	Very low	110 Å²	110	57.9 Å²	57.9	51%	0.514	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	150.8	177.1	-59.9	-169.6	157.5	0	0	111.3	R1105 Y1108 I1179	R1105-E1177 WeakPolarHBondContact CD-OE2 3.39Å; R1105-E1177 IonicContact CZ-OE2 3.2Å; R1105-E1177 IonicContact NE-OE2 3.15Å; R1105-E1177 IonicContact NH1-OE1 2.61Å; R1105-E1177 PolarHBondContact NH1-OE1 3.47Å; R1105-E1177 IonicContact NH1-OE2 2.7Å; R1105-E1177 PolarHBondContact NH1-OE2 2.81Å; Y1108-E1177 WeakPolarHBondContact CB-O 3.22Å; Y1108-E1177 WeakPolarHBondContact CD2-O 3.23Å; E1177-I1179 PolarHBondContact O-N 2.93Å
1178	G	65.7	Low	50.7	Low	4 Å²	4	63.2 Å²	63.2	4%	0.041	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	-8.6	-172.5	0	0	0	0	0	115.7	R1105 A1124 Y1180	R1105-G1178 WeakPolarHBondContact O-CA 3.12Å; R1105-G1178 PolarHBondContact O-N 3.3Å; A1124-G1178 WeakPolarHBondContact CA-O 3.47Å; A1124-G1178 WeakPolarHBondContact CB-O 3.47Å; G1178-Y1180 VanDerWaalsContact O-CD2 3.29Å; G1178-Y1180 WeakPolarHBondContact O-CD2 3.31Å; G1178-Y1180 WeakPolarHBondContact O-CE2 3.12Å
1179	I	71.4	Confident	52.1	Low	11 Å²	11	61.3 Å²	61.3	6%	0.056	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.3	171.6	-51.5	-175.1	0	0	0	109.9	Y1108 I1112 A1122 W1123 F1135 I1137 L1175 P1176 E1177	Y1108-I1179 HydrophobicContact CD1-CD1 4.15Å; Y1108-I1179 HydrophobicContact CD1-CG1 4.34Å; Y1108-I1179 HydrophobicContact CE1-CD1 4.16Å; Y1108-I1179 HydrophobicContact CG-CG1 4.43Å; I1112-I1179 HydrophobicContact CD1-CD1 3.58Å; I1112-I1179 HydrophobicContact CD1-CG1 4Å; I1112-I1179 HydrophobicContact CG1-CD1 3.84Å; I1112-I1179 HydrophobicContact CG2-CD1 4.26Å; A1122-I1179 HydrophobicContact CB-CG2 3.76Å; W1123-I1179 CarbonylContact O-C 3.53Å; W1123-I1179 WeakPolarHBondContact O-CA 3.31Å; F1135-I1179 HydrophobicContact CE2-CD1 4.27Å; F1135-I1179 HydrophobicContact CE2-CG2 4.24Å; F1135-I1179 HydrophobicContact CZ-CD1 4.08Å; F1135-I1179 HydrophobicContact CZ-CG1 4.19Å; F1135-I1179 HydrophobicContact CZ-CG2 3.81Å; I1137-I1179 HydrophobicContact CD1-CG2 4.2Å; L1175-I1179 HydrophobicContact CB-CB 4.45Å; L1175-I1179 HydrophobicContact CB-CG2 4.4Å; L1175-I1179 HydrophobicContact CD1-CG2 4.48Å; L1175-I1179 HydrophobicContact CD2-CG2 4.08Å; P1176-I1179 HydrophobicContact CB-CD1 3.86Å; P1176-I1179 HydrophobicContact CB-CG1 4.23Å; P1176-I1179 HydrophobicContact CG-CD1 3.83Å; P1176-I1179 WeakPolarHBondContact O-CA 3.45Å; P1176-I1179 VanDerWaalsContact O-CB 3.29Å; P1176-I1179 WeakPolarHBondContact O-CB 3.41Å; P1176-I1179 PolarHBondContact O-N 3Å; E1177-I1179 PolarHBondContact O-N 2.93Å
1180	Y	68.9	Low	53.8	Low	25 Å²	25	61.2 Å²	61.2	10%	0.098	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.7	-174.8	-59.4	-87.6	0	0	0	110.6	R1105 W1123 G1178 T1182 C1186 H1189 C1190	R1105-Y1180 PolarHBondContact O-OH 2.68Å; W1123-Y1180 PolarHBondContact N-O 2.8Å; W1123-Y1180 PolarHBondContact O-N 3.11Å; G1178-Y1180 VanDerWaalsContact O-CD2 3.29Å; G1178-Y1180 WeakPolarHBondContact O-CD2 3.31Å; G1178-Y1180 WeakPolarHBondContact O-CE2 3.12Å; Y1180-T1182 WeakPolarHBondContact CB-O 3.25Å; Y1180-T1182 PolarHBondContact O-N 3.42Å; Y1180-C1186 VanDerWaalsContact CD2-CA 3.5Å; Y1180-C1186 HydrophobicContact CD2-CB 3.41Å; Y1180-C1186 VanDerWaalsContact CD2-CB 3.41Å; Y1180-C1186 HydrophobicContact CE2-CB 4.15Å; Y1180-C1186 VanDerWaalsContact CG-CA 3.48Å; Y1180-C1186 HydrophobicContact CG-CB 3.66Å; Y1180-H1189 AromaticContact CD1-CD2 3.85Å; Y1180-H1189 HydrophobicContact CE1-CB 3.62Å; Y1180-H1189 AromaticContact CE1-CD2 3.49Å; Y1180-H1189 VanDerWaalsContact CE1-CD2 3.49Å; Y1180-H1189 WeakPolarHBondContact CE1-CD2 3.21Å; Y1180-H1189 AromaticContact CE1-CG 3.81Å; Y1180-C1190 WeakPolarHBondContact CE2-SG 3.26Å; Y1180-C1190 VanDerWaalsContact CZ-SG 3.51Å; Y1180-C1190 PolarHBondContact OH-SG 2.83Å
1181	A	54.4	Low	55	Low	53 Å²	53	59 Å²	59	44%	0.438	32%	0.317	S	S	.	.	S	Bend	trans	-67	6	174.9	0	0	0	0	0	113.3	R1024 L1175	R1024-A1181 WeakPolarHBondContact CG-O 3.32Å; R1024-A1181 PolarHBondContact NE-O 2.91Å; R1024-A1181 VanDerWaalsContact NH2-C 3.34Å; R1024-A1181 PolarHBondContact NH2-O 3.39Å; L1175-A1181 VanDerWaalsContact CD1-CA 3.49Å; L1175-A1181 HydrophobicContact CD1-CB 3.68Å
1182	T	56.1	Low	55.7	Low	7 Å²	7	56.4 Å²	56.4	4%	0.043	32%	0.322	C	S	.	.			trans	-161.1	125.1	-150.1	21.9	0	0	0	0	110.5	R1024 Y1025 Y1180 S1184 A1185 C1186	R1024-T1182 HydrophobicContact CB-CG2 3.43Å; R1024-T1182 VanDerWaalsContact CB-CG2 3.43Å; R1024-T1182 HydrophobicContact CG-CG2 3.52Å; R1024-T1182 VanDerWaalsContact CZ-CA 3.42Å; Y1025-T1182 HydrophobicContact CD2-CG2 4.31Å; Y1025-T1182 HydrophobicContact CE2-CG2 3.61Å; Y1180-T1182 WeakPolarHBondContact CB-O 3.25Å; Y1180-T1182 PolarHBondContact O-N 3.42Å; T1182-S1184 PolarHBondContact O-N 2.98Å; T1182-A1185 HydrophobicContact CG2-CB 4.23Å; T1182-A1185 WeakPolarHBondContact OG1-CB 3.24Å; T1182-C1186 WeakPolarHBondContact O-CB 3.24Å; T1182-C1186 PolarHBondContact O-N 3.16Å
1183	R	65.1	Low	56.1	Low	79 Å²	79	58.6 Å²	58.6	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-55	-48	161.7	-176.6	178.5	168.1	101.9	-9.3	109.5	W1123 D1131 C1132 A1185 C1186 Q1187	W1123-R1183 HydrophobicContact CD2-CB 3.52Å; W1123-R1183 HydrophobicContact CD2-CG 4.12Å; W1123-R1183 HydrophobicContact CE3-CB 3.56Å; W1123-R1183 HydrophobicContact CE3-CG 3.6Å; W1123-R1183 HydrophobicContact CG-CB 4.17Å; W1123-R1183 HydrophobicContact CH2-CB 3.93Å; W1123-R1183 HydrophobicContact CH2-CG 4.04Å; W1123-R1183 HydrophobicContact CZ2-CB 3.89Å; W1123-R1183 HydrophobicContact CZ3-CB 3.79Å; W1123-R1183 HydrophobicContact CZ3-CG 3.58Å; D1131-R1183 IonicContact OD1-CZ 3.63Å; D1131-R1183 IonicContact OD1-NH1 3.5Å; D1131-R1183 IonicContact OD1-NH2 2.83Å; D1131-R1183 PolarHBondContact OD1-NH2 2.75Å; D1131-R1183 IonicContact OD2-CZ 3.38Å; D1131-R1183 IonicContact OD2-NH1 2.75Å; D1131-R1183 PolarHBondContact OD2-NH1 3.39Å; D1131-R1183 IonicContact OD2-NH2 2.66Å; D1131-R1183 PolarHBondContact OD2-NH2 2.92Å; C1132-R1183 HydrophobicContact CB-CG 4.09Å; C1132-R1183 PolarHBondContact O-NH1 2.76Å; R1183-A1185 PolarHBondContact O-N 2.81Å; R1183-C1186 CarbonylContact O-C 3.58Å; R1183-C1186 WeakPolarHBondContact O-CB 3.29Å; R1183-C1186 PolarHBondContact O-N 3.2Å; R1183-Q1187 HydrophobicContact CG-CG 4.27Å; R1183-Q1187 VanDerWaalsContact NH2-NE2 3.15Å; R1183-Q1187 WeakPolarHBondContact O-CB 3.38Å; R1183-Q1187 WeakPolarHBondContact O-CG 3.25Å; R1183-Q1187 PolarHBondContact O-N 3.27Å
1184	S	50	Low	55.8	Low	27 Å²	27	57.9 Å²	57.9	19%	0.189	30%	0.302	C	S	.	.	H	α-helix	trans	-77.9	-13.4	-169.6	26.6	0	0	0	0	114.5	H1021 Y1025 T1182 Y1188	H1021-S1184 PolarHBondContact NE2-OG 3.09Å; Y1025-S1184 WeakPolarHBondContact CE2-OG 3.37Å; Y1025-S1184 WeakPolarHBondContact OH-CA 3.23Å; Y1025-S1184 WeakPolarHBondContact OH-CB 3.15Å; Y1025-S1184 PolarHBondContact OH-O 2.96Å; Y1025-S1184 PolarHBondContact OH-OG 3.04Å; T1182-S1184 PolarHBondContact O-N 2.98Å; S1184-Y1188 VanDerWaalsContact O-CB 3.26Å; S1184-Y1188 WeakPolarHBondContact O-CB 3.4Å; S1184-Y1188 PolarHBondContact O-N 2.98Å
1185	A	52.8	Low	54.9	Low	7 Å²	7	54.2 Å²	54.2	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-95.9	-30.7	167	0	0	0	0	0	111.7	Y1025 T1182 R1183 Q1187 Y1188 H1189	Y1025-A1185 PolarHBondContact OH-N 3.17Å; Y1025-A1185 VanDerWaalsContact OH-N 3.09Å; T1182-A1185 HydrophobicContact CG2-CB 4.23Å; T1182-A1185 WeakPolarHBondContact OG1-CB 3.24Å; R1183-A1185 PolarHBondContact O-N 2.81Å; A1185-Q1187 PolarHBondContact O-N 2.79Å; A1185-Y1188 PolarHBondContact O-N 2.8Å; A1185-H1189 WeakPolarHBondContact O-CB 3.3Å; A1185-H1189 PolarHBondContact O-CD2 3.24Å; A1185-H1189 PolarHBondContact O-N 2.81Å
1186	C	67.9	Low	53.8	Low	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-53.6	-47	159.6	172	0	0	0	0	109.9	W1123 A1124 Y1125 C1132 Y1180 T1182 R1183 H1189 C1190	W1123-C1186 HydrophobicContact CB-CB 4.43Å; A1124-C1186 VanDerWaalsContact C-SG 3.52Å; Y1125-C1186 PolarHBondContact N-SG 2.96Å; Y1125-C1186 VanDerWaalsContact N-SG 3.37Å; C1132-C1186 HydrophobicContact CB-CB 3.76Å; C1132-C1186 WeakPolarHBondContact CB-SG 3.41Å; C1132-C1186 WeakPolarHBondContact SG-CB 3.32Å; C1132-C1186 CovalentContact SG-SG 2.02Å; C1132-C1186 PolarHBondContact SG-SG 2.93Å; Y1180-C1186 VanDerWaalsContact CD2-CA 3.5Å; Y1180-C1186 HydrophobicContact CD2-CB 3.41Å; Y1180-C1186 VanDerWaalsContact CD2-CB 3.41Å; Y1180-C1186 HydrophobicContact CE2-CB 4.15Å; Y1180-C1186 VanDerWaalsContact CG-CA 3.48Å; Y1180-C1186 HydrophobicContact CG-CB 3.66Å; T1182-C1186 WeakPolarHBondContact O-CB 3.24Å; T1182-C1186 PolarHBondContact O-N 3.16Å; R1183-C1186 CarbonylContact O-C 3.58Å; R1183-C1186 WeakPolarHBondContact O-CB 3.29Å; R1183-C1186 PolarHBondContact O-N 3.2Å; C1186-H1189 PolarHBondContact O-N 3.13Å; C1186-C1190 WeakPolarHBondContact O-CA 3.18Å; C1186-C1190 WeakPolarHBondContact O-CB 3.48Å; C1186-C1190 PolarHBondContact O-N 3.22Å; C1186-C1190 PolarHBondContact O-SG 2.86Å
1187	Q	64.9	Low	52.5	Low	29 Å²	29	63 Å²	63	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-45.1	176.5	-71.1	-176.4	-45.3	0	0	112.2	D1131 C1132 R1183 A1185 H1189 L1191	D1131-Q1187 PolarHBondContact OD1-NE2 2.82Å; D1131-Q1187 VanDerWaalsContact OD1-NE2 3.11Å; C1132-Q1187 HydrophobicContact CB-CG 4.15Å; C1132-Q1187 VanDerWaalsContact SG-CG 3.6Å; C1132-Q1187 PolarHBondContact SG-N 3.41Å; R1183-Q1187 HydrophobicContact CG-CG 4.27Å; R1183-Q1187 VanDerWaalsContact NH2-NE2 3.15Å; R1183-Q1187 WeakPolarHBondContact O-CB 3.38Å; R1183-Q1187 WeakPolarHBondContact O-CG 3.25Å; R1183-Q1187 PolarHBondContact O-N 3.27Å; A1185-Q1187 PolarHBondContact O-N 2.79Å; Q1187-H1189 VanDerWaalsContact C-N 3.27Å; Q1187-H1189 PolarHBondContact O-N 2.8Å; Q1187-L1191 HydrophobicContact CB-CD1 3.8Å; Q1187-L1191 HydrophobicContact CB-CG 4.21Å; Q1187-L1191 HydrophobicContact CG-CD1 3.72Å; Q1187-L1191 HydrophobicContact CG-CG 4.26Å; Q1187-L1191 VanDerWaalsContact O-CB 3.26Å; Q1187-L1191 WeakPolarHBondContact O-CB 3.47Å; Q1187-L1191 PolarHBondContact O-N 2.74Å
1188	Y	54.3	Low	51.4	Low	142 Å²	142	60 Å²	60	56%	0.557	31%	0.309	S	S	*	.	H	α-helix	trans	-63.8	-27.8	177.2	-176.4	-93.9	0	0	0	114.3	V1167 S1184 A1185	V1167-Y1188 HydrophobicContact CB-CE1 4.49Å; V1167-Y1188 HydrophobicContact CG2-CD1 4.27Å; V1167-Y1188 HydrophobicContact CG2-CE1 3.83Å; S1184-Y1188 VanDerWaalsContact O-CB 3.26Å; S1184-Y1188 WeakPolarHBondContact O-CB 3.4Å; S1184-Y1188 PolarHBondContact O-N 2.98Å; A1185-Y1188 PolarHBondContact O-N 2.8Å
1189	H	56.7	Low	50.1	Low	53 Å²	53	60 Å²	60	25%	0.245	31%	0.308	C	S	.	.	H	α-helix	trans	-97.2	-26.2	-178.7	-71.2	-56.8	0	0	0	114.1	A1104 C1106 Y1180 A1185 C1186 Q1187	A1104-H1189 HydrophobicContact CB-CB 3.78Å; A1104-H1189 VanDerWaalsContact CB-ND1 3.33Å; A1104-H1189 WeakPolarHBondContact CB-ND1 3.42Å; C1106-H1189 PolarHBondContact SG-O 3.4Å; Y1180-H1189 AromaticContact CD1-CD2 3.85Å; Y1180-H1189 HydrophobicContact CE1-CB 3.62Å; Y1180-H1189 AromaticContact CE1-CD2 3.49Å; Y1180-H1189 VanDerWaalsContact CE1-CD2 3.49Å; Y1180-H1189 WeakPolarHBondContact CE1-CD2 3.21Å; Y1180-H1189 AromaticContact CE1-CG 3.81Å; A1185-H1189 WeakPolarHBondContact O-CB 3.3Å; A1185-H1189 PolarHBondContact O-CD2 3.24Å; A1185-H1189 PolarHBondContact O-N 2.81Å; C1186-H1189 PolarHBondContact O-N 3.13Å; Q1187-H1189 VanDerWaalsContact C-N 3.27Å; Q1187-H1189 PolarHBondContact O-N 2.8Å
1190	C	64.9	Low	48.5	Very low	14 Å²	14	63.9 Å²	63.9	10%	0.095	33%	0.332	C	S	.	.	H	α-helix	trans	-117.7	-22.6	-171	-49.4	0	0	0	0	115.2	C1106 Y1125 Y1180 C1186	C1106-C1190 HydrophobicContact CB-CB 3.91Å; C1106-C1190 VanDerWaalsContact CB-SG 3.52Å; C1106-C1190 VanDerWaalsContact SG-SG 3.68Å; Y1125-C1190 HydrophobicContact CD1-CB 3.8Å; Y1125-C1190 HydrophobicContact CD2-CB 3.61Å; Y1125-C1190 HydrophobicContact CE1-CB 4.34Å; Y1125-C1190 HydrophobicContact CE2-CB 4.18Å; Y1125-C1190 HydrophobicContact CG-CB 3.39Å; Y1180-C1190 WeakPolarHBondContact CE2-SG 3.26Å; Y1180-C1190 VanDerWaalsContact CZ-SG 3.51Å; Y1180-C1190 PolarHBondContact OH-SG 2.83Å; C1186-C1190 WeakPolarHBondContact O-CA 3.18Å; C1186-C1190 WeakPolarHBondContact O-CB 3.48Å; C1186-C1190 PolarHBondContact O-N 3.22Å; C1186-C1190 PolarHBondContact O-SG 2.86Å
1191	L	54	Low	47.1	Very low	49 Å²	49	65.1 Å²	65.1	26%	0.257	34%	0.339	S	S	.	.	S	Bend	trans	-80.5	152.7	167.4	-64.1	-179.1	0	0	0	110.1	Y1125 G1130 Q1187	Y1125-L1191 HydrophobicContact CE2-CD2 3.77Å; G1130-L1191 WeakPolarHBondContact O-CD2 3.47Å; Q1187-L1191 HydrophobicContact CB-CD1 3.8Å; Q1187-L1191 HydrophobicContact CB-CG 4.21Å; Q1187-L1191 HydrophobicContact CG-CD1 3.72Å; Q1187-L1191 HydrophobicContact CG-CG 4.26Å; Q1187-L1191 VanDerWaalsContact O-CB 3.26Å; Q1187-L1191 WeakPolarHBondContact O-CB 3.47Å; Q1187-L1191 PolarHBondContact O-N 2.74Å
1192	P	41.1	Very low	46.9	Very low	117 Å²	117	63.3 Å²	63.3	76%	0.76	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-56.3	141.3	174.1	22.5	-33.6	0	0	0	111.6
1193	K	37.7	Very low	46.9	Very low	181 Å²	181	66 Å²	66	79%	0.787	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-61.7	147.8	178.6	-69.4	175.7	-178.6	171.1	0	110.6
1194	P	30.8	Very low	46.9	Very low	63 Å²	63	62.8 Å²	62.8	41%	0.409	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-54.5	148.4	168.7	23.4	-32.9	0	0	0	110.8	T1198	P1194-T1198 HydrophobicContact CB-CG2 3.8Å
1195	P	29.4	Very low	47.4	Very low	55 Å²	55	62.4 Å²	62.4	36%	0.357	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-59.9	149.6	-179.9	25.7	-33.4	0	0	0	111.4	G1197 T1198	P1195-G1197 PolarHBondContact O-N 3.34Å; P1195-G1197 VanDerWaalsContact O-N 3.11Å; P1195-T1198 HydrophobicContact CG-CG2 4.12Å; P1195-T1198 PolarHBondContact O-N 3.38Å
1196	R	28.8	Very low	47.6	Very low	258 Å²	258	63.8 Å²	63.8	97%	0.974	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	118.5	165	-69.6	176.9	174	168.6	-3.2	107.3
1197	G	30.3	Very low	46.8	Very low	39 Å²	39	66 Å²	66	40%	0.402	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	122.5	-3.1	-176.5	0	0	0	0	0	116.2	P1195 D1199	P1195-G1197 PolarHBondContact O-N 3.34Å; P1195-G1197 VanDerWaalsContact O-N 3.11Å; G1197-D1199 PolarHBondContact O-N 2.84Å
1198	T	34.6	Very low	46	Very low	46 Å²	46	65.2 Å²	65.2	28%	0.282	34%	0.338	S	S	.	.			trans	-68.2	91.1	172	55.4	0	0	0	0	111.8	P1194 P1195 T1200 H1205	P1194-T1198 HydrophobicContact CB-CG2 3.8Å; P1195-T1198 HydrophobicContact CG-CG2 4.12Å; P1195-T1198 PolarHBondContact O-N 3.38Å; T1198-T1200 PolarHBondContact O-N 2.79Å; T1198-T1200 VanDerWaalsContact O-N 3.08Å; T1198-H1205 WeakPolarHBondContact CA-O 3.27Å; T1198-H1205 WeakPolarHBondContact CB-O 3.44Å
1199	D	38.4	Very low	45.6	Very low	4 Å²	4	62.9 Å²	62.9	2%	0.021	33%	0.334	C	S	.	.			trans	-66.1	105.6	172.3	-176.9	20.5	0	0	0	110.3	G1197 Q1201 N1202 H1205 R1279 R1303 V1305	G1197-D1199 PolarHBondContact O-N 2.84Å; D1199-Q1201 PolarHBondContact O-N 2.85Å; D1199-Q1201 PolarHBondContact OD1-N 2.81Å; D1199-N1202 HydrophobicContact CB-CB 3.89Å; D1199-N1202 PolarHBondContact O-N 3.43Å; D1199-N1202 WeakPolarHBondContact OD2-CB 3.16Å; D1199-N1202 PolarHBondContact OD2-N 3.35Å; D1199-H1205 HydrophobicContact CB-CB 4.42Å; D1199-R1279 IonicContact OD1-CZ 2.7Å; D1199-R1279 IonicContact OD1-NH1 3.51Å; D1199-R1279 PolarHBondContact OD1-NH1 3.24Å; D1199-R1279 IonicContact OD1-NH2 3.84Å; D1199-R1279 IonicContact OD2-NH1 3.93Å; D1199-R1279 PolarHBondContact OD2-NH1 3.14Å; D1199-R1303 IonicContact OD2-CZ 3.67Å; D1199-R1303 IonicContact OD2-NE 2.72Å; D1199-R1303 PolarHBondContact OD2-NE 3.47Å; D1199-R1303 VanDerWaalsContact OD2-NE 3.15Å; D1199-R1303 IonicContact OD2-NH2 3.68Å; D1199-R1303 PolarHBondContact OD2-NH2 2.95Å; D1199-V1305 HydrophobicContact CB-CG2 3.77Å
1200	T	38	Very low	45	Very low	93 Å²	93	63.5 Å²	63.5	57%	0.571	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-1.3	177.7	59.6	0	0	0	0	114.3	T1198 M1206	T1198-T1200 PolarHBondContact O-N 2.79Å; T1198-T1200 VanDerWaalsContact O-N 3.08Å; T1200-M1206 WeakPolarHBondContact O-CE 2.97Å
1201	Q	39.5	Very low	43.6	Very low	51 Å²	51	64.6 Å²	64.6	24%	0.238	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-7.5	178.3	-59.3	150.9	-0.3	0	0	112.7	D1199 Y1294 G1296 R1303	D1199-Q1201 PolarHBondContact O-N 2.85Å; D1199-Q1201 PolarHBondContact OD1-N 2.81Å; Q1201-Y1294 PolarHBondContact OE1-OH 2.98Å; Q1201-G1296 PolarHBondContact NE2-O 2.82Å; Q1201-G1296 VanDerWaalsContact NE2-O 3.1Å; Q1201-R1303 PolarHBondContact O-NH2 3.23Å
1202	N	49.5	Very low	42.6	Very low	15 Å²	15	64.7 Å²	64.7	8%	0.08	35%	0.35	C	S	.	.	S	Bend	trans	-96	114.8	170	175.9	-7.3	0	0	0	107.5	D1199 C1204 H1205 M1206	D1199-N1202 HydrophobicContact CB-CB 3.89Å; D1199-N1202 PolarHBondContact O-N 3.43Å; D1199-N1202 WeakPolarHBondContact OD2-CB 3.16Å; D1199-N1202 PolarHBondContact OD2-N 3.35Å; N1202-C1204 PolarHBondContact O-N 2.65Å; N1202-C1204 WeakPolarHBondContact OD1-CB 3.4Å; N1202-C1204 PolarHBondContact OD1-N 3.32Å; N1202-H1205 HydrophobicContact CB-CB 4.15Å; N1202-H1205 PolarHBondContact ND2-ND1 3.47Å; N1202-H1205 PolarHBondContact O-N 2.79Å; N1202-M1206 WeakPolarHBondContact O-CG 3.37Å; N1202-M1206 PolarHBondContact O-N 2.02Å
1203	V	56.7	Low	42.1	Very low	63 Å²	63	62.1 Å²	62.1	38%	0.382	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-34.7	-178	-173.3	0	0	0	0	112	G1242 N1243 F1245	V1203-G1242 WeakPolarHBondContact CG1-O 3.29Å; V1203-G1242 CarbonylContact O-C 3Å; V1203-N1243 WeakPolarHBondContact O-CA 3.05Å; V1203-N1243 VanDerWaalsContact O-CB 3.28Å; V1203-N1243 WeakPolarHBondContact O-CB 3.48Å; V1203-N1243 PolarHBondContact O-N 3.39Å; V1203-N1243 VanDerWaalsContact O-N 3.1Å; V1203-F1245 HydrophobicContact CG1-CE1 4.02Å; V1203-F1245 HydrophobicContact CG1-CZ 3.91Å
1204	C	65.2	Low	42	Very low	13 Å²	13	55.9 Å²	55.9	9%	0.088	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-24.2	-179	-49.3	0	0	0	0	114.2	N1202 F1225 N1243 C1255	N1202-C1204 PolarHBondContact O-N 2.65Å; N1202-C1204 WeakPolarHBondContact OD1-CB 3.4Å; N1202-C1204 PolarHBondContact OD1-N 3.32Å; C1204-F1225 HydrophobicContact CB-CD1 3.89Å; C1204-N1243 PolarHBondContact O-ND2 2.73Å; C1204-C1255 WeakPolarHBondContact CA-SG 3.47Å; C1204-C1255 HydrophobicContact CB-CB 3.68Å; C1204-C1255 WeakPolarHBondContact CB-SG 3.23Å; C1204-C1255 WeakPolarHBondContact SG-CA 3.23Å; C1204-C1255 WeakPolarHBondContact SG-CB 3.26Å; C1204-C1255 CovalentContact SG-SG 2.03Å; C1204-C1255 PolarHBondContact SG-SG 3.07Å
1205	H	60.5	Low	42.2	Very low	18 Å²	18	55.1 Å²	55.1	8%	0.083	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-0.6	-178.4	-60.9	179.4	0	0	0	112.8	T1198 D1199 N1202 E1309	T1198-H1205 WeakPolarHBondContact CA-O 3.27Å; T1198-H1205 WeakPolarHBondContact CB-O 3.44Å; D1199-H1205 HydrophobicContact CB-CB 4.42Å; N1202-H1205 HydrophobicContact CB-CB 4.15Å; N1202-H1205 PolarHBondContact ND2-ND1 3.47Å; N1202-H1205 PolarHBondContact O-N 2.79Å; H1205-E1309 IonicContact CE1-OE1 2.69Å; H1205-E1309 PolarHBondContact CE1-OE1 2.85Å; H1205-E1309 IonicContact ND1-OE1 3.14Å; H1205-E1309 PolarHBondContact ND1-OE1 3.44Å
1206	M	56.9	Low	42.7	Very low	37 Å²	37	53.5 Å²	53.5	18%	0.182	30%	0.3	C	S	.	.	S	Bend	trans	-60.8	142.5	165.6	-54.6	-156.7	-167.1	0	0	109.9	T1200 N1202 T1211 G1242 N1243	T1200-M1206 WeakPolarHBondContact O-CE 2.97Å; N1202-M1206 WeakPolarHBondContact O-CG 3.37Å; N1202-M1206 PolarHBondContact O-N 2.02Å; M1206-T1211 HydrophobicContact SD-CG2 4.46Å; M1206-G1242 WeakPolarHBondContact SD-CA 3.48Å; M1206-N1243 HydrophobicContact CB-CB 4.23Å; M1206-N1243 WeakPolarHBondContact O-CB 3.49Å; M1206-N1243 PolarHBondContact O-ND2 3.38Å
1207	N	51.5	Low	43.2	Very low	45 Å²	45	45.9 Å²	45.9	24%	0.241	28%	0.279	C	S	.	.			trans	-70	122.5	170.9	-179.9	-34.2	0	0	0	109.1	I1209 V1210	N1207-I1209 PolarHBondContact O-N 2.79Å; N1207-I1209 VanDerWaalsContact O-N 3.08Å; N1207-I1209 WeakPolarHBondContact OD1-CB 3.27Å; N1207-I1209 PolarHBondContact OD1-N 2.03Å; N1207-V1210 HydrophobicContact CB-CB 4.01Å; N1207-V1210 HydrophobicContact CB-CG2 3.71Å; N1207-V1210 PolarHBondContact O-N 3.42Å; N1207-V1210 VanDerWaalsContact O-N 3.12Å
1208	P	46.7	Very low	43.6	Very low	14 Å²	14	45.6 Å²	45.6	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.4	-175.3	25.7	-37.9	0	0	0	114.6	Y1224 Y1235 N1243	P1208-Y1224 HydrophobicContact CB-CD1 4.28Å; P1208-Y1224 HydrophobicContact CB-CD2 4.11Å; P1208-Y1224 HydrophobicContact CB-CG 3.8Å; P1208-Y1224 HydrophobicContact CG-CD1 4.21Å; P1208-Y1224 HydrophobicContact CG-CD2 3.61Å; P1208-Y1224 HydrophobicContact CG-CE1 4.48Å; P1208-Y1224 HydrophobicContact CG-CE2 3.91Å; P1208-Y1224 HydrophobicContact CG-CG 3.76Å; P1208-Y1235 HydrophobicContact CB-CD2 4.36Å; P1208-Y1235 HydrophobicContact CB-CE1 4.25Å; P1208-Y1235 HydrophobicContact CB-CE2 3.6Å; P1208-Y1235 VanDerWaalsContact CB-CZ 3.5Å; P1208-Y1235 WeakPolarHBondContact CB-OH 3.47Å; P1208-Y1235 WeakPolarHBondContact O-CE2 3.26Å; P1208-Y1235 PolarHBondContact O-OH 2.03Å; P1208-N1243 HydrophobicContact CB-CB 4.39Å
1209	I	47.8	Very low	44.1	Very low	93 Å²	93	45.3 Å²	45.3	48%	0.477	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-12.6	-175.8	-62.9	160.9	0	0	0	111.6	N1207	N1207-I1209 PolarHBondContact O-N 2.79Å; N1207-I1209 VanDerWaalsContact O-N 3.08Å; N1207-I1209 WeakPolarHBondContact OD1-CB 3.27Å; N1207-I1209 PolarHBondContact OD1-N 2.03Å
1210	V	43.2	Very low	44.6	Very low	65 Å²	65	48 Å²	48	39%	0.394	28%	0.284	S	S	.	.	S	Bend	trans	-105.8	11.2	-159.1	-177.7	0	0	0	0	113.9	W1164 N1207	W1164-V1210 HydrophobicContact CH2-CG1 3.42Å; W1164-V1210 VanDerWaalsContact CH2-CG1 3.42Å; W1164-V1210 HydrophobicContact CZ2-CG1 3.77Å; N1207-V1210 HydrophobicContact CB-CB 4.01Å; N1207-V1210 HydrophobicContact CB-CG2 3.71Å; N1207-V1210 PolarHBondContact O-N 3.42Å; N1207-V1210 VanDerWaalsContact O-N 3.12Å
1211	T	35.7	Very low	45.9	Very low	38 Å²	38	47.7 Å²	47.7	23%	0.233	28%	0.283	C	S	.	.			trans	-110	31	175.4	55.9	0	0	0	0	114.6	M1206 P1213 Q1240 Y1241	M1206-T1211 HydrophobicContact SD-CG2 4.46Å; T1211-P1213 WeakPolarHBondContact O-CD 3.05Å; T1211-Q1240 VanDerWaalsContact O-CD 3.27Å; T1211-Q1240 PolarHBondContact O-NE2 2.94Å; T1211-Q1240 VanDerWaalsContact O-NE2 3.1Å; T1211-Q1240 PolarHBondContact O-OE1 3.01Å; T1211-Y1241 WeakPolarHBondContact CB-O 3.47Å; T1211-Y1241 PolarHBondContact OG1-O 2.84Å
1212	V	32.3	Very low	47.4	Very low	50 Å²	50	45.4 Å²	45.4	30%	0.303	27%	0.272	S	S	.	.			trans	-92.2	89.1	178.8	-169.6	0	0	0	0	113.5	H1021	H1021-V1212 PolarHBondContact CE1-O 3.49Å; H1021-V1212 PolarHBondContact ND1-O 3.44Å
1213	P	30.9	Very low	48.8	Very low	63 Å²	63	47.8 Å²	47.8	41%	0.409	28%	0.28	S	S	.	.			trans	-130.7	97.6	149.9	35.5	-23	0	0	0	113.2	T1211	T1211-P1213 WeakPolarHBondContact O-CD 3.05Å
1214	F	35	Very low	49.7	Very low	51 Å²	51	46.3 Å²	46.3	22%	0.224	27%	0.268	C	S	.	.	S	Bend	trans	74.3	142.4	159.6	-49.9	-69.8	0	0	0	118.5	H1021 T1022 R1160	H1021-F1214 VanDerWaalsContact C-CE1 3.41Å; H1021-F1214 HydrophobicContact CB-CE1 3.7Å; H1021-F1214 HydrophobicContact CB-CZ 3.8Å; H1021-F1214 AromaticContact ND1-CZ 3.7Å; H1021-F1214 WeakPolarHBondContact O-CZ 3.44Å; T1022-F1214 HydrophobicContact CG2-CD1 4.07Å; T1022-F1214 HydrophobicContact CG2-CE1 3.96Å; T1022-F1214 HydrophobicContact CG2-CZ 4.48Å; T1022-F1214 VanDerWaalsContact OG1-CE1 3.25Å; T1022-F1214 WeakPolarHBondContact OG1-CE1 3.15Å; R1160-F1214 HydrophobicContact CB-CD2 4.02Å; R1160-F1214 HydrophobicContact CG-CD2 4.34Å; R1160-F1214 HydrophobicContact CG-CE2 4.46Å
1215	G	35.7	Very low	50.1	Low	47 Å²	47	46.2 Å²	46.2	49%	0.485	27%	0.266	S	S	.	.			trans	97	22.9	175.2	0	0	0	0	0	115.7	N1217	G1215-N1217 VanDerWaalsContact C-N 3.33Å; G1215-N1217 PolarHBondContact O-N 2.97Å; G1215-N1217 PolarHBondContact O-OD1 3.05Å
1216	C	39.9	Very low	50.5	Low	20 Å²	20	47 Å²	47	14%	0.135	27%	0.269	C	S	.	.			trans	-71.4	81.8	176.7	-165.2	0	0	0	0	111.7	A1218 C1238	C1216-A1218 PolarHBondContact O-N 3.41Å; C1216-C1238 HydrophobicContact CB-CB 3.74Å; C1216-C1238 WeakPolarHBondContact CB-SG 2.85Å; C1216-C1238 VanDerWaalsContact SG-CA 3.58Å; C1216-C1238 WeakPolarHBondContact SG-CB 2.95Å; C1216-C1238 CovalentContact SG-SG 2.03Å; C1216-C1238 PolarHBondContact SG-SG 2.87Å
1217	N	39.6	Very low	50.4	Low	99 Å²	99	47.7 Å²	47.7	53%	0.529	28%	0.277	S	S	.	.	S	Bend	trans	-69	-20.9	-178.2	-69.1	-3.5	0	0	0	113.5	G1215	G1215-N1217 VanDerWaalsContact C-N 3.33Å; G1215-N1217 PolarHBondContact O-N 2.97Å; G1215-N1217 PolarHBondContact O-OD1 3.05Å
1218	A	37.4	Very low	50.4	Low	33 Å²	33	52.5 Å²	52.5	27%	0.273	29%	0.291	S	S	.	.			trans	-158.4	143.2	165.9	0	0	0	0	0	108.1	C1216 V1220 P1239	C1216-A1218 PolarHBondContact O-N 3.41Å; A1218-V1220 HydrophobicContact CB-CG1 4.18Å; A1218-P1239 WeakPolarHBondContact O-CD 3.34Å
1219	M	46.3	Very low	50.9	Low	40 Å²	40	55 Å²	55	20%	0.197	30%	0.302	C	S	.	.			trans	-80.2	137.4	155.3	-52.5	175.7	178.4	0	0	107.9	M1014 I1017 I1236 T1237	M1014-M1219 HydrophobicContact CE-CB 3.53Å; M1014-M1219 HydrophobicContact CE-CG 3.72Å; M1014-M1219 HydrophobicContact CE-SD 4.05Å; M1014-M1219 HydrophobicContact CG-CE 4.37Å; M1014-M1219 HydrophobicContact CG-CG 4.4Å; M1014-M1219 HydrophobicContact CG-SD 4.37Å; M1014-M1219 HydrophobicContact SD-CB 4.32Å; M1014-M1219 HydrophobicContact SD-CG 4.07Å; I1017-M1219 HydrophobicContact CD1-CE 4.08Å; I1017-M1219 HydrophobicContact CG2-CE 4.19Å; M1219-I1236 HydrophobicContact CB-CG2 3.71Å; M1219-I1236 HydrophobicContact SD-CG2 4.3Å; M1219-T1237 WeakPolarHBondContact CA-O 3.46Å
1220	V	48.6	Very low	51.6	Low	59 Å²	59	54.8 Å²	54.8	36%	0.358	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.2	176.5	-61.3	0	0	0	0	109.3	A1218 R1222 T1237 P1239	A1218-V1220 HydrophobicContact CB-CG1 4.18Å; V1220-R1222 HydrophobicContact CG2-CG 3.87Å; V1220-R1222 PolarHBondContact O-N 3.3Å; V1220-T1237 PolarHBondContact N-O 3.23Å; V1220-T1237 PolarHBondContact O-N 2.89Å; V1220-T1237 VanDerWaalsContact O-N 3.13Å; V1220-P1239 HydrophobicContact CG2-CG 4.22Å
1221	T	64.8	Low	52.5	Low	87 Å²	87	57.3 Å²	57.3	53%	0.534	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	105.6	168.3	-50	0	0	0	0	108.5
1222	R	71.9	Confident	54.5	Low	4 Å²	4	55.9 Å²	55.9	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	171.2	171.1	-68.9	-63.2	-171.3	124.5	-28.1	108.9	V1220 S1234 Y1235 T1237 N1244 F1245	V1220-R1222 HydrophobicContact CG2-CG 3.87Å; V1220-R1222 PolarHBondContact O-N 3.3Å; R1222-S1234 CarbonylContact O-C 3.59Å; R1222-S1234 VanDerWaalsContact O-CA 3.3Å; R1222-S1234 WeakPolarHBondContact O-CA 2.97Å; R1222-Y1235 HydrophobicContact CB-CD1 3.94Å; R1222-Y1235 HydrophobicContact CB-CE1 3.67Å; R1222-Y1235 PolarHBondContact N-O 3.38Å; R1222-Y1235 PolarHBondContact O-N 2.79Å; R1222-Y1235 VanDerWaalsContact O-O 3.11Å; R1222-T1237 HydrophobicContact CB-CG2 3.8Å; R1222-T1237 HydrophobicContact CG-CG2 3.73Å; R1222-N1244 VanDerWaalsContact CD-OD1 3.27Å; R1222-N1244 WeakPolarHBondContact CD-OD1 3.45Å; R1222-N1244 WeakPolarHBondContact CG-OD1 3.37Å; R1222-N1244 PolarHBondContact NH1-O 3.28Å; R1222-N1244 PolarHBondContact NH1-OD1 3.03Å; R1222-F1245 CarbonylContact C-O 3.43Å; R1222-F1245 WeakPolarHBondContact CA-O 3.35Å; R1222-F1245 VanDerWaalsContact CD-O 3.23Å; R1222-F1245 WeakPolarHBondContact CD-O 3.5Å
1223	W	79.3	Confident	56.5	Low	65 Å²	65	58.4 Å²	58.4	25%	0.246	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.5	175.4	-65	75.5	0	0	0	108.3	C1232 R1233 F1245 S1247 H1248 C1251	W1223-C1232 HydrophobicContact CE3-CB 4.27Å; W1223-C1232 VanDerWaalsContact CZ3-O 3.25Å; W1223-C1232 WeakPolarHBondContact CZ3-O 2.96Å; W1223-R1233 CarbonylContact C-O 3.55Å; W1223-R1233 VanDerWaalsContact CA-O 3.26Å; W1223-R1233 WeakPolarHBondContact CA-O 3.45Å; W1223-F1245 HydrophobicContact CB-CB 4.45Å; W1223-F1245 PolarHBondContact N-O 2.03Å; W1223-F1245 VanDerWaalsContact O-CD2 3.23Å; W1223-F1245 WeakPolarHBondContact O-CD2 3.36Å; W1223-F1245 PolarHBondContact O-N 3.12Å; W1223-S1247 VanDerWaalsContact CG-C 3.47Å; W1223-H1248 VanDerWaalsContact CD2-CA 3.49Å; W1223-H1248 HydrophobicContact CD2-CB 3.71Å; W1223-H1248 HydrophobicContact CE3-CB 3.76Å; W1223-H1248 AromaticContact CE3-CD2 3.55Å; W1223-H1248 HydrophobicContact CG-CB 4.38Å; W1223-H1248 VanDerWaalsContact CG-N 3.3Å; W1223-H1248 HydrophobicContact CH2-CB 3.9Å; W1223-H1248 HydrophobicContact CZ2-CB 3.86Å; W1223-H1248 HydrophobicContact CZ3-CB 3.85Å; W1223-H1248 AromaticContact CZ3-CD2 3.4Å; W1223-H1248 VanDerWaalsContact CZ3-CD2 3.4Å; W1223-H1248 WeakPolarHBondContact CZ3-CD2 3.21Å; W1223-H1248 AromaticContact CZ3-CG 3.92Å; W1223-C1251 HydrophobicContact CB-CB 3.8Å
1224	Y	74.6	Confident	58.4	Low	31 Å²	31	58.7 Å²	58.7	12%	0.122	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.7	172.5	77.5	-87.3	0	0	0	109.2	P1208 E1226 C1232 R1233 Y1235 N1243 C1251	P1208-Y1224 HydrophobicContact CB-CD1 4.28Å; P1208-Y1224 HydrophobicContact CB-CD2 4.11Å; P1208-Y1224 HydrophobicContact CB-CG 3.8Å; P1208-Y1224 HydrophobicContact CG-CD1 4.21Å; P1208-Y1224 HydrophobicContact CG-CD2 3.61Å; P1208-Y1224 HydrophobicContact CG-CE1 4.48Å; P1208-Y1224 HydrophobicContact CG-CE2 3.91Å; P1208-Y1224 HydrophobicContact CG-CG 3.76Å; Y1224-E1226 HydrophobicContact CD2-CB 4.32Å; Y1224-E1226 HydrophobicContact CE2-CB 3.7Å; Y1224-E1226 HydrophobicContact CE2-CG 4.41Å; Y1224-E1226 WeakPolarHBondContact CE2-OE2 3.35Å; Y1224-E1226 PolarHBondContact O-N 2.66Å; Y1224-C1232 CarbonylContact O-C 3.51Å; Y1224-C1232 VanDerWaalsContact O-CA 3.27Å; Y1224-C1232 WeakPolarHBondContact O-CA 3.38Å; Y1224-R1233 HydrophobicContact CD1-CB 3.94Å; Y1224-R1233 WeakPolarHBondContact CD1-O 3.44Å; Y1224-R1233 HydrophobicContact CE1-CB 3.46Å; Y1224-R1233 VanDerWaalsContact CE1-CB 3.46Å; Y1224-R1233 HydrophobicContact CE1-CG 4.49Å; Y1224-R1233 HydrophobicContact CE2-CB 4.47Å; Y1224-R1233 PolarHBondContact N-O 3.47Å; Y1224-R1233 PolarHBondContact O-N 3.25Å; Y1224-R1233 VanDerWaalsContact OH-CD 3.25Å; Y1224-R1233 WeakPolarHBondContact OH-CD 3.35Å; Y1224-Y1235 AromaticContact CD1-CD1 3.59Å; Y1224-Y1235 HydrophobicContact CD1-CD1 3.59Å; Y1224-Y1235 HydrophobicContact CD1-CE1 4.02Å; Y1224-Y1235 AromaticContact CD1-CG 3.88Å; Y1224-Y1235 HydrophobicContact CD1-CG 3.88Å; Y1224-Y1235 HydrophobicContact CE1-CG 4.47Å; Y1224-Y1235 HydrophobicContact CG-CD1 4.3Å; Y1224-Y1235 HydrophobicContact CG-CE1 4.27Å; Y1224-N1243 WeakPolarHBondContact CA-OD1 3.15Å; Y1224-N1243 WeakPolarHBondContact CB-O 3.19Å; Y1224-C1251 VanDerWaalsContact C-SG 3.57Å
1225	F	73.5	Confident	59.4	Low	11 Å²	11	57.8 Å²	57.8	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	111.7	171.1	179.1	-104.1	0	0	0	108.2	C1204 P1227 T1230 N1243 C1251 C1255 T1256	C1204-F1225 HydrophobicContact CB-CD1 3.89Å; F1225-P1227 HydrophobicContact CD1-CG 4.27Å; F1225-P1227 HydrophobicContact CE1-CB 4.26Å; F1225-P1227 HydrophobicContact CE1-CG 4.48Å; F1225-P1227 WeakPolarHBondContact O-CD 3.13Å; F1225-T1230 HydrophobicContact CZ-CG2 4.45Å; F1225-N1243 PolarHBondContact N-OD1 3.04Å; F1225-N1243 PolarHBondContact O-ND2 3.31Å; F1225-N1243 PolarHBondContact O-OD1 2.94Å; F1225-C1251 PolarHBondContact N-SG 3.03Å; F1225-C1251 VanDerWaalsContact N-SG 3.42Å; F1225-C1255 HydrophobicContact CB-CB 3.5Å; F1225-C1255 HydrophobicContact CD1-CB 4.16Å; F1225-C1255 HydrophobicContact CD2-CB 3.92Å; F1225-C1255 VanDerWaalsContact CE2-O 3.29Å; F1225-C1255 WeakPolarHBondContact CE2-O 3.31Å; F1225-C1255 HydrophobicContact CG-CB 3.61Å; F1225-C1255 WeakPolarHBondContact CZ-O 3.41Å; F1225-T1256 HydrophobicContact CD2-CG2 4.04Å; F1225-T1256 HydrophobicContact CE2-CG2 3.79Å
1226	E	68.9	Low	60.5	Low	35 Å²	35	61.5 Å²	61.5	16%	0.164	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	107.3	172.1	175.5	48.3	-106.6	0	0	108.3	Y1224 R1228 E1229 T1230 Q1231	Y1224-E1226 HydrophobicContact CD2-CB 4.32Å; Y1224-E1226 HydrophobicContact CE2-CB 3.7Å; Y1224-E1226 HydrophobicContact CE2-CG 4.41Å; Y1224-E1226 WeakPolarHBondContact CE2-OE2 3.35Å; Y1224-E1226 PolarHBondContact O-N 2.66Å; E1226-R1228 HydrophobicContact CG-CB 4.37Å; E1226-R1228 PolarHBondContact O-N 2.83Å; E1226-R1228 WeakPolarHBondContact OE1-CB 3.38Å; E1226-R1228 WeakPolarHBondContact OE1-CG 3.25Å; E1226-R1228 PolarHBondContact OE1-N 2.59Å; E1226-R1228 VanDerWaalsContact OE1-N 3.13Å; E1226-E1229 HydrophobicContact CB-CB 4.16Å; E1226-E1229 HydrophobicContact CG-CB 3.82Å; E1226-E1229 HydrophobicContact CG-CG 3.72Å; E1226-E1229 PolarHBondContact O-N 2.96Å; E1226-T1230 PolarHBondContact O-N 3.29Å; E1226-Q1231 PolarHBondContact N-O 2.7Å
1227	P	55.1	Low	61	Low	51 Å²	51	61.2 Å²	61.2	33%	0.331	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.3	-172.7	-21.7	35.6	0	0	0	112.3	F1225 E1229	F1225-P1227 HydrophobicContact CD1-CG 4.27Å; F1225-P1227 HydrophobicContact CE1-CB 4.26Å; F1225-P1227 HydrophobicContact CE1-CG 4.48Å; F1225-P1227 WeakPolarHBondContact O-CD 3.13Å; P1227-E1229 VanDerWaalsContact C-N 3.28Å; P1227-E1229 PolarHBondContact O-N 3.35Å
1228	R	50.9	Low	61.6	Low	146 Å²	146	56.9 Å²	56.9	55%	0.551	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.3	176.6	-61.2	-173.8	-174.6	-156.9	6.8	113	E1226	E1226-R1228 HydrophobicContact CG-CB 4.37Å; E1226-R1228 PolarHBondContact O-N 2.83Å; E1226-R1228 WeakPolarHBondContact OE1-CB 3.38Å; E1226-R1228 WeakPolarHBondContact OE1-CG 3.25Å; E1226-R1228 PolarHBondContact OE1-N 2.59Å; E1226-R1228 VanDerWaalsContact OE1-N 3.13Å
1229	E	57.3	Low	62.2	Low	66 Å²	66	58.1 Å²	58.1	31%	0.308	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-13.9	-173.5	-67.7	-178.9	-172.9	0	0	113.4	E1226 P1227 Q1231 R1233	E1226-E1229 HydrophobicContact CB-CB 4.16Å; E1226-E1229 HydrophobicContact CG-CB 3.82Å; E1226-E1229 HydrophobicContact CG-CG 3.72Å; E1226-E1229 PolarHBondContact O-N 2.96Å; P1227-E1229 VanDerWaalsContact C-N 3.28Å; P1227-E1229 PolarHBondContact O-N 3.35Å; E1229-Q1231 HydrophobicContact CB-CB 4.1Å; E1229-Q1231 PolarHBondContact O-N 3.2Å; E1229-R1233 IonicContact OE1-CZ 2.74Å; E1229-R1233 VanDerWaalsContact OE1-CZ 3.26Å; E1229-R1233 IonicContact OE1-NE 2.71Å; E1229-R1233 PolarHBondContact OE1-NE 2.96Å; E1229-R1233 IonicContact OE1-NH2 2.76Å; E1229-R1233 PolarHBondContact OE1-NH2 2.78Å; E1229-R1233 IonicContact OE2-CZ 3.89Å; E1229-R1233 IonicContact OE2-NE 2.75Å; E1229-R1233 PolarHBondContact OE2-NE 3.08Å; E1229-R1233 IonicContact OE2-NH2 3.19Å; E1229-R1233 PolarHBondContact OE2-NH2 3.48Å
1230	T	62.2	Low	62.4	Low	90 Å²	90	57.8 Å²	57.8	55%	0.552	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25.4	-169.2	62.8	0	0	0	0	113.5	F1225 E1226	F1225-T1230 HydrophobicContact CZ-CG2 4.45Å; E1226-T1230 PolarHBondContact O-N 3.29Å
1231	Q	62.9	Low	62.3	Low	117 Å²	117	61.3 Å²	61.3	55%	0.547	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.6	-174.5	-78.3	178.5	90	0	0	111.2	E1226 E1229	E1226-Q1231 PolarHBondContact N-O 2.7Å; E1229-Q1231 HydrophobicContact CB-CB 4.1Å; E1229-Q1231 PolarHBondContact O-N 3.2Å
1232	C	77.2	Confident	62.1	Low	9 Å²	9	57.5 Å²	57.5	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	107.6	172.1	-73.1	0	0	0	0	109.2	W1223 Y1224 H1248 C1251 Q1252	W1223-C1232 HydrophobicContact CE3-CB 4.27Å; W1223-C1232 VanDerWaalsContact CZ3-O 3.25Å; W1223-C1232 WeakPolarHBondContact CZ3-O 2.96Å; Y1224-C1232 CarbonylContact O-C 3.51Å; Y1224-C1232 VanDerWaalsContact O-CA 3.27Å; Y1224-C1232 WeakPolarHBondContact O-CA 3.38Å; C1232-H1248 VanDerWaalsContact CB-CD2 3.5Å; C1232-H1248 WeakPolarHBondContact CB-CD2 3.47Å; C1232-C1251 HydrophobicContact CB-CB 3.65Å; C1232-C1251 WeakPolarHBondContact CB-SG 3.3Å; C1232-C1251 WeakPolarHBondContact SG-CB 2.94Å; C1232-C1251 CovalentContact SG-SG 2.03Å; C1232-C1251 PolarHBondContact SG-SG 2.8Å; C1232-Q1252 HydrophobicContact CB-CG 4.48Å; C1232-Q1252 PolarHBondContact SG-N 3.24Å; C1232-Q1252 VanDerWaalsContact SG-N 3.44Å
1233	R	74.2	Confident	61.8	Low	102 Å²	102	57.3 Å²	57.3	39%	0.385	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.2	175.7	-79.1	-178.7	166.1	-135.3	1.7	110.8	W1223 Y1224 E1229	W1223-R1233 CarbonylContact C-O 3.55Å; W1223-R1233 VanDerWaalsContact CA-O 3.26Å; W1223-R1233 WeakPolarHBondContact CA-O 3.45Å; Y1224-R1233 HydrophobicContact CD1-CB 3.94Å; Y1224-R1233 WeakPolarHBondContact CD1-O 3.44Å; Y1224-R1233 HydrophobicContact CE1-CB 3.46Å; Y1224-R1233 VanDerWaalsContact CE1-CB 3.46Å; Y1224-R1233 HydrophobicContact CE1-CG 4.49Å; Y1224-R1233 HydrophobicContact CE2-CB 4.47Å; Y1224-R1233 PolarHBondContact N-O 3.47Å; Y1224-R1233 PolarHBondContact O-N 3.25Å; Y1224-R1233 VanDerWaalsContact OH-CD 3.25Å; Y1224-R1233 WeakPolarHBondContact OH-CD 3.35Å; E1229-R1233 IonicContact OE1-CZ 2.74Å; E1229-R1233 VanDerWaalsContact OE1-CZ 3.26Å; E1229-R1233 IonicContact OE1-NE 2.71Å; E1229-R1233 PolarHBondContact OE1-NE 2.96Å; E1229-R1233 IonicContact OE1-NH2 2.76Å; E1229-R1233 PolarHBondContact OE1-NH2 2.78Å; E1229-R1233 IonicContact OE2-CZ 3.89Å; E1229-R1233 IonicContact OE2-NE 2.75Å; E1229-R1233 PolarHBondContact OE2-NE 3.08Å; E1229-R1233 IonicContact OE2-NH2 3.19Å; E1229-R1233 PolarHBondContact OE2-NH2 3.48Å
1234	S	70.8	Confident	61.3	Low	69 Å²	69	54.6 Å²	54.6	48%	0.483	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.4	173.1	56.1	0	0	0	0	111.5	R1222	R1222-S1234 CarbonylContact O-C 3.59Å; R1222-S1234 VanDerWaalsContact O-CA 3.3Å; R1222-S1234 WeakPolarHBondContact O-CA 2.97Å
1235	Y	57.1	Low	61.2	Low	33 Å²	33	53.3 Å²	53.3	13%	0.129	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150	174.2	78	-58.5	0	0	0	111.8	P1208 R1222 Y1224 T1237 N1243 N1244	P1208-Y1235 HydrophobicContact CB-CD2 4.36Å; P1208-Y1235 HydrophobicContact CB-CE1 4.25Å; P1208-Y1235 HydrophobicContact CB-CE2 3.6Å; P1208-Y1235 VanDerWaalsContact CB-CZ 3.5Å; P1208-Y1235 WeakPolarHBondContact CB-OH 3.47Å; P1208-Y1235 WeakPolarHBondContact O-CE2 3.26Å; P1208-Y1235 PolarHBondContact O-OH 2.03Å; R1222-Y1235 HydrophobicContact CB-CD1 3.94Å; R1222-Y1235 HydrophobicContact CB-CE1 3.67Å; R1222-Y1235 PolarHBondContact N-O 3.38Å; R1222-Y1235 PolarHBondContact O-N 2.79Å; R1222-Y1235 VanDerWaalsContact O-O 3.11Å; Y1224-Y1235 AromaticContact CD1-CD1 3.59Å; Y1224-Y1235 HydrophobicContact CD1-CD1 3.59Å; Y1224-Y1235 HydrophobicContact CD1-CE1 4.02Å; Y1224-Y1235 AromaticContact CD1-CG 3.88Å; Y1224-Y1235 HydrophobicContact CD1-CG 3.88Å; Y1224-Y1235 HydrophobicContact CE1-CG 4.47Å; Y1224-Y1235 HydrophobicContact CG-CD1 4.3Å; Y1224-Y1235 HydrophobicContact CG-CE1 4.27Å; Y1235-T1237 HydrophobicContact CD1-CG2 4.42Å; Y1235-T1237 HydrophobicContact CD2-CG2 3.85Å; Y1235-T1237 HydrophobicContact CE1-CG2 3.87Å; Y1235-T1237 VanDerWaalsContact CE2-CB 3.42Å; Y1235-T1237 HydrophobicContact CE2-CG2 3.2Å; Y1235-T1237 HydrophobicContact CG-CG2 4.44Å; Y1235-N1243 PolarHBondContact OH-O 2.82Å; Y1235-N1244 WeakPolarHBondContact OH-CB 3.47Å
1236	I	57.3	Low	60.5	Low	124 Å²	124	54.3 Å²	54.3	64%	0.636	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.4	178.4	-63.4	174.8	0	0	0	108.3	M1219	M1219-I1236 HydrophobicContact CB-CG2 3.71Å; M1219-I1236 HydrophobicContact SD-CG2 4.3Å
1237	T	52.2	Low	60.6	Low	15 Å²	15	53.8 Å²	53.8	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	177.4	178	-161.8	0	0	0	0	113.2	M1219 V1220 R1222 Y1235 N1244	M1219-T1237 WeakPolarHBondContact CA-O 3.46Å; V1220-T1237 PolarHBondContact N-O 3.23Å; V1220-T1237 PolarHBondContact O-N 2.89Å; V1220-T1237 VanDerWaalsContact O-N 3.13Å; R1222-T1237 HydrophobicContact CB-CG2 3.8Å; R1222-T1237 HydrophobicContact CG-CG2 3.73Å; Y1235-T1237 HydrophobicContact CD1-CG2 4.42Å; Y1235-T1237 HydrophobicContact CD2-CG2 3.85Å; Y1235-T1237 HydrophobicContact CE1-CG2 3.87Å; Y1235-T1237 VanDerWaalsContact CE2-CB 3.42Å; Y1235-T1237 HydrophobicContact CE2-CG2 3.2Å; Y1235-T1237 HydrophobicContact CG-CG2 4.44Å; T1237-N1244 WeakPolarHBondContact CG2-ND2 3.37Å
1238	C	50.6	Low	61.7	Low	8 Å²	8	54.9 Å²	54.9	5%	0.054	27%	0.271	C	S	.	.			trans	-77.3	140.9	176.7	-55.7	0	0	0	0	111.8	C1216 Q1240 N1244	C1216-C1238 HydrophobicContact CB-CB 3.74Å; C1216-C1238 WeakPolarHBondContact CB-SG 2.85Å; C1216-C1238 VanDerWaalsContact SG-CA 3.58Å; C1216-C1238 WeakPolarHBondContact SG-CB 2.95Å; C1216-C1238 CovalentContact SG-SG 2.03Å; C1216-C1238 PolarHBondContact SG-SG 2.87Å; C1238-Q1240 HydrophobicContact CB-CG 4.14Å; C1238-Q1240 PolarHBondContact O-N 3.15Å; C1238-N1244 PolarHBondContact O-ND2 3.43Å
1239	P	50.3	Low	62.8	Low	58 Å²	58	54.4 Å²	54.4	38%	0.377	27%	0.273	S	S	.	.	S	Bend	trans	-59.8	89.1	169.5	-30	38.4	0	0	0	114	A1218 V1220	A1218-P1239 WeakPolarHBondContact O-CD 3.34Å; V1220-P1239 HydrophobicContact CG2-CG 4.22Å
1240	Q	51.1	Low	63.4	Low	33 Å²	33	51.7 Å²	51.7	15%	0.154	26%	0.262	C	S	.	.			trans	-139.2	165.4	-176.5	-65.4	-176.3	-82.5	0	0	111.3	T1211 C1238 N1244	T1211-Q1240 VanDerWaalsContact O-CD 3.27Å; T1211-Q1240 PolarHBondContact O-NE2 2.94Å; T1211-Q1240 VanDerWaalsContact O-NE2 3.1Å; T1211-Q1240 PolarHBondContact O-OE1 3.01Å; C1238-Q1240 HydrophobicContact CB-CG 4.14Å; C1238-Q1240 PolarHBondContact O-N 3.15Å; Q1240-N1244 PolarHBondContact N-ND2 2.93Å; Q1240-N1244 WeakPolarHBondContact O-CB 3.46Å; Q1240-N1244 VanDerWaalsContact O-CG 3.3Å; Q1240-N1244 PolarHBondContact O-ND2 3.28Å
1241	Y	45.2	Very low	64.1	Low	134 Å²	134	47.4 Å²	47.4	53%	0.525	24%	0.236	S	C	.	.	S	Bend	trans	-70.8	160.2	-177.7	-52.6	-82.2	0	0	0	112.7	E879 I880 T1211	E879-Y1241 HydrophobicContact CB-CE1 4.12Å; E879-Y1241 VanDerWaalsContact CB-OH 3.3Å; E879-Y1241 WeakPolarHBondContact CB-OH 3.39Å; I880-Y1241 HydrophobicContact CG2-CD1 3.79Å; I880-Y1241 HydrophobicContact CG2-CE1 3.67Å; T1211-Y1241 WeakPolarHBondContact CB-O 3.47Å; T1211-Y1241 PolarHBondContact OG1-O 2.84Å
1242	G	61.2	Low	64.8	Low	6 Å²	6	45.1 Å²	45.1	6%	0.062	23%	0.225	C	C	.	.	S	Bend	trans	99.4	-146.5	-176.6	0	0	0	0	0	111.4	V1203 M1206 N1244	V1203-G1242 WeakPolarHBondContact CG1-O 3.29Å; V1203-G1242 CarbonylContact O-C 3Å; M1206-G1242 WeakPolarHBondContact SD-CA 3.48Å; G1242-N1244 PolarHBondContact O-N 3.26Å
1243	N	65.1	Low	64.1	Low	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	-77.4	66.5	-168	-162.4	-1.5	0	0	0	111.8	V1203 C1204 M1206 P1208 Y1224 F1225 Y1235 F1245	V1203-N1243 WeakPolarHBondContact O-CA 3.05Å; V1203-N1243 VanDerWaalsContact O-CB 3.28Å; V1203-N1243 WeakPolarHBondContact O-CB 3.48Å; V1203-N1243 PolarHBondContact O-N 3.39Å; V1203-N1243 VanDerWaalsContact O-N 3.1Å; C1204-N1243 PolarHBondContact O-ND2 2.73Å; M1206-N1243 HydrophobicContact CB-CB 4.23Å; M1206-N1243 WeakPolarHBondContact O-CB 3.49Å; M1206-N1243 PolarHBondContact O-ND2 3.38Å; P1208-N1243 HydrophobicContact CB-CB 4.39Å; Y1224-N1243 WeakPolarHBondContact CA-OD1 3.15Å; Y1224-N1243 WeakPolarHBondContact CB-O 3.19Å; F1225-N1243 PolarHBondContact N-OD1 3.04Å; F1225-N1243 PolarHBondContact O-ND2 3.31Å; F1225-N1243 PolarHBondContact O-OD1 2.94Å; Y1235-N1243 PolarHBondContact OH-O 2.82Å; N1243-F1245 WeakPolarHBondContact OD1-CE2 3.3Å
1244	N	69.3	Low	63.6	Low	8 Å²	8	48.8 Å²	48.8	4%	0.043	25%	0.251	C	S	.	.			trans	-157.1	90.6	-156.3	-173.1	-25.5	0	0	0	111.6	R1222 Y1235 T1237 C1238 Q1240 G1242	R1222-N1244 VanDerWaalsContact CD-OD1 3.27Å; R1222-N1244 WeakPolarHBondContact CD-OD1 3.45Å; R1222-N1244 WeakPolarHBondContact CG-OD1 3.37Å; R1222-N1244 PolarHBondContact NH1-O 3.28Å; R1222-N1244 PolarHBondContact NH1-OD1 3.03Å; Y1235-N1244 WeakPolarHBondContact OH-CB 3.47Å; T1237-N1244 WeakPolarHBondContact CG2-ND2 3.37Å; C1238-N1244 PolarHBondContact O-ND2 3.43Å; Q1240-N1244 PolarHBondContact N-ND2 2.93Å; Q1240-N1244 WeakPolarHBondContact O-CB 3.46Å; Q1240-N1244 VanDerWaalsContact O-CG 3.3Å; Q1240-N1244 PolarHBondContact O-ND2 3.28Å; G1242-N1244 PolarHBondContact O-N 3.26Å
1245	F	72.4	Confident	63.5	Low	4 Å²	4	45.6 Å²	45.6	2%	0.018	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-115.1	147.7	-169.3	-50.8	-71.9	0	0	0	112.1	V1203 R1222 W1223 N1243 S1247 A1250 C1251 I1254 C1255	V1203-F1245 HydrophobicContact CG1-CE1 4.02Å; V1203-F1245 HydrophobicContact CG1-CZ 3.91Å; R1222-F1245 CarbonylContact C-O 3.43Å; R1222-F1245 WeakPolarHBondContact CA-O 3.35Å; R1222-F1245 VanDerWaalsContact CD-O 3.23Å; R1222-F1245 WeakPolarHBondContact CD-O 3.5Å; W1223-F1245 HydrophobicContact CB-CB 4.45Å; W1223-F1245 PolarHBondContact N-O 2.03Å; W1223-F1245 VanDerWaalsContact O-CD2 3.23Å; W1223-F1245 WeakPolarHBondContact O-CD2 3.36Å; W1223-F1245 PolarHBondContact O-N 3.12Å; N1243-F1245 WeakPolarHBondContact OD1-CE2 3.3Å; F1245-S1247 VanDerWaalsContact C-N 3.32Å; F1245-S1247 PolarHBondContact O-N 3.1Å; F1245-A1250 HydrophobicContact CB-CB 4.38Å; F1245-C1251 HydrophobicContact CB-CB 3.71Å; F1245-C1251 HydrophobicContact CD2-CB 3.42Å; F1245-C1251 VanDerWaalsContact CD2-CB 3.42Å; F1245-C1251 HydrophobicContact CE2-CB 4.33Å; F1245-C1251 VanDerWaalsContact CG-CA 3.47Å; F1245-C1251 HydrophobicContact CG-CB 3.74Å; F1245-I1254 HydrophobicContact CD1-CB 4.45Å; F1245-I1254 HydrophobicContact CD1-CD1 3.94Å; F1245-I1254 HydrophobicContact CE1-CB 4.08Å; F1245-I1254 HydrophobicContact CE1-CD1 4.06Å; F1245-I1254 HydrophobicContact CE1-CG2 3.84Å; F1245-I1254 HydrophobicContact CZ-CG2 4.37Å; F1245-C1255 HydrophobicContact CE2-CB 4.44Å; F1245-C1255 HydrophobicContact CZ-CB 4.45Å; F1245-C1255 WeakPolarHBondContact CZ-SG 3.43Å
1246	P	59.2	Low	63.8	Low	31 Å²	31	46.1 Å²	46.1	20%	0.201	24%	0.235	C	C	.	.	S	Bend	trans	-77.8	-11.7	-171.9	31.2	-37.9	0	0	0	114.5	Q882 A1250	Q882-P1246 HydrophobicContact CG-CG 4.35Å; P1246-A1250 HydrophobicContact CG-CB 3.78Å
1247	S	71.5	Confident	63.5	Low	25 Å²	25	41.2 Å²	41.2	18%	0.175	21%	0.211	C	C	.	.	S	Bend	trans	-156.6	162	174.4	61.6	0	0	0	0	110.7	R906 W1223 F1245 K1249 A1250 C1251	R906-S1247 PolarHBondContact NH1-OG 3.42Å; W1223-S1247 VanDerWaalsContact CG-C 3.47Å; F1245-S1247 VanDerWaalsContact C-N 3.32Å; F1245-S1247 PolarHBondContact O-N 3.1Å; S1247-K1249 VanDerWaalsContact C-N 3.26Å; S1247-K1249 PolarHBondContact O-N 3.2Å; S1247-A1250 PolarHBondContact O-N 3.24Å; S1247-A1250 PolarHBondContact OG-N 3.38Å; S1247-C1251 PolarHBondContact O-N 2.76Å
1248	H	77.8	Confident	63	Low	74 Å²	74	44.3 Å²	44.3	34%	0.343	25%	0.246	S	C	.	.	H	α-helix	trans	-50.1	-50.6	173.8	-180	-113	0	0	0	110.5	W1223 C1232 A1250 C1251 Q1252	W1223-H1248 VanDerWaalsContact CD2-CA 3.49Å; W1223-H1248 HydrophobicContact CD2-CB 3.71Å; W1223-H1248 HydrophobicContact CE3-CB 3.76Å; W1223-H1248 AromaticContact CE3-CD2 3.55Å; W1223-H1248 HydrophobicContact CG-CB 4.38Å; W1223-H1248 VanDerWaalsContact CG-N 3.3Å; W1223-H1248 HydrophobicContact CH2-CB 3.9Å; W1223-H1248 HydrophobicContact CZ2-CB 3.86Å; W1223-H1248 HydrophobicContact CZ3-CB 3.85Å; W1223-H1248 AromaticContact CZ3-CD2 3.4Å; W1223-H1248 VanDerWaalsContact CZ3-CD2 3.4Å; W1223-H1248 WeakPolarHBondContact CZ3-CD2 3.21Å; W1223-H1248 AromaticContact CZ3-CG 3.92Å; C1232-H1248 VanDerWaalsContact CB-CD2 3.5Å; C1232-H1248 WeakPolarHBondContact CB-CD2 3.47Å; H1248-A1250 PolarHBondContact O-N 2.86Å; H1248-C1251 WeakPolarHBondContact O-CB 3.31Å; H1248-C1251 PolarHBondContact O-N 2.93Å; H1248-C1251 VanDerWaalsContact O-N 3.13Å; H1248-Q1252 PolarHBondContact CE1-NE2 3.46Å; H1248-Q1252 VanDerWaalsContact CE1-NE2 3.31Å; H1248-Q1252 PolarHBondContact CE1-OE1 3.37Å; H1248-Q1252 PolarHBondContact ND1-OE1 3.49Å; H1248-Q1252 VanDerWaalsContact ND1-OE1 3.07Å; H1248-Q1252 WeakPolarHBondContact O-CG 3.19Å; H1248-Q1252 PolarHBondContact O-N 2.75Å
1249	K	73.9	Confident	62.9	Low	135 Å²	135	46.9 Å²	46.9	59%	0.587	26%	0.258	S	S	*	.	H	α-helix	trans	-58.3	-41.9	175.9	-177	173.8	177.8	-176.3	0	113.3	S1247 C1251 Q1252 D1253	S1247-K1249 VanDerWaalsContact C-N 3.26Å; S1247-K1249 PolarHBondContact O-N 3.2Å; K1249-C1251 VanDerWaalsContact C-N 3.31Å; K1249-C1251 PolarHBondContact O-N 3.26Å; K1249-Q1252 CarbonylContact O-C 3.6Å; K1249-Q1252 WeakPolarHBondContact O-CB 3.32Å; K1249-Q1252 PolarHBondContact O-N 2.76Å; K1249-Q1252 VanDerWaalsContact O-N 3.12Å; K1249-D1253 WeakPolarHBondContact CE-OD1 3.38Å; K1249-D1253 WeakPolarHBondContact CE-OD2 3.5Å; K1249-D1253 WeakPolarHBondContact CG-OD2 3.48Å; K1249-D1253 WeakPolarHBondContact O-CB 3.16Å; K1249-D1253 PolarHBondContact O-N 3.47Å
1250	A	70.4	Confident	63.1	Low	9 Å²	9	45.4 Å²	45.4	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-70.2	-27.8	178.5	0	0	0	0	0	113.2	F1245 P1246 S1247 H1248 I1254	F1245-A1250 HydrophobicContact CB-CB 4.38Å; P1246-A1250 HydrophobicContact CG-CB 3.78Å; S1247-A1250 PolarHBondContact O-N 3.24Å; S1247-A1250 PolarHBondContact OG-N 3.38Å; H1248-A1250 PolarHBondContact O-N 2.86Å; A1250-I1254 WeakPolarHBondContact O-CD1 3.33Å; A1250-I1254 WeakPolarHBondContact O-CG1 3.33Å
1251	C	75.6	Confident	63.4	Low	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-41.9	167.4	172.5	0	0	0	0	111.1	W1223 Y1224 F1225 C1232 F1245 S1247 H1248 K1249 C1255	W1223-C1251 HydrophobicContact CB-CB 3.8Å; Y1224-C1251 VanDerWaalsContact C-SG 3.57Å; F1225-C1251 PolarHBondContact N-SG 3.03Å; F1225-C1251 VanDerWaalsContact N-SG 3.42Å; C1232-C1251 HydrophobicContact CB-CB 3.65Å; C1232-C1251 WeakPolarHBondContact CB-SG 3.3Å; C1232-C1251 WeakPolarHBondContact SG-CB 2.94Å; C1232-C1251 CovalentContact SG-SG 2.03Å; C1232-C1251 PolarHBondContact SG-SG 2.8Å; F1245-C1251 HydrophobicContact CB-CB 3.71Å; F1245-C1251 HydrophobicContact CD2-CB 3.42Å; F1245-C1251 VanDerWaalsContact CD2-CB 3.42Å; F1245-C1251 HydrophobicContact CE2-CB 4.33Å; F1245-C1251 VanDerWaalsContact CG-CA 3.47Å; F1245-C1251 HydrophobicContact CG-CB 3.74Å; S1247-C1251 PolarHBondContact O-N 2.76Å; H1248-C1251 WeakPolarHBondContact O-CB 3.31Å; H1248-C1251 PolarHBondContact O-N 2.93Å; H1248-C1251 VanDerWaalsContact O-N 3.13Å; K1249-C1251 VanDerWaalsContact C-N 3.31Å; K1249-C1251 PolarHBondContact O-N 3.26Å; C1251-C1255 WeakPolarHBondContact O-CA 3.42Å; C1251-C1255 WeakPolarHBondContact O-CB 3.03Å; C1251-C1255 PolarHBondContact O-N 2.91Å
1252	Q	77.4	Confident	63.8	Low	69 Å²	69	41.3 Å²	41.3	32%	0.322	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-58	177	-71.2	-179.7	-61.3	0	0	111.2	C1232 H1248 K1249 I1254 C1255 T1256	C1232-Q1252 HydrophobicContact CB-CG 4.48Å; C1232-Q1252 PolarHBondContact SG-N 3.24Å; C1232-Q1252 VanDerWaalsContact SG-N 3.44Å; H1248-Q1252 PolarHBondContact CE1-NE2 3.46Å; H1248-Q1252 VanDerWaalsContact CE1-NE2 3.31Å; H1248-Q1252 PolarHBondContact CE1-OE1 3.37Å; H1248-Q1252 PolarHBondContact ND1-OE1 3.49Å; H1248-Q1252 VanDerWaalsContact ND1-OE1 3.07Å; H1248-Q1252 WeakPolarHBondContact O-CG 3.19Å; H1248-Q1252 PolarHBondContact O-N 2.75Å; K1249-Q1252 CarbonylContact O-C 3.6Å; K1249-Q1252 WeakPolarHBondContact O-CB 3.32Å; K1249-Q1252 PolarHBondContact O-N 2.76Å; K1249-Q1252 VanDerWaalsContact O-N 3.12Å; Q1252-I1254 PolarHBondContact O-N 2.78Å; Q1252-C1255 PolarHBondContact O-N 2.75Å; Q1252-T1256 VanDerWaalsContact C-OG1 3.27Å; Q1252-T1256 WeakPolarHBondContact CA-OG1 3.42Å; Q1252-T1256 WeakPolarHBondContact CB-OG1 3.14Å; Q1252-T1256 HydrophobicContact CG-CG2 4.4Å; Q1252-T1256 CarbonylContact O-C 3.56Å; Q1252-T1256 VanDerWaalsContact O-CA 3.3Å; Q1252-T1256 WeakPolarHBondContact O-CA 3.4Å; Q1252-T1256 PolarHBondContact O-N 2.83Å; Q1252-T1256 PolarHBondContact O-OG1 2.8Å
1253	D	63.1	Low	64.1	Low	107 Å²	107	41.6 Å²	41.6	57%	0.572	24%	0.237	S	C	*	.	H	α-helix	trans	-54.8	-24.6	-177.4	-63.5	-17.4	0	0	0	113.5	K1249	K1249-D1253 WeakPolarHBondContact CE-OD1 3.38Å; K1249-D1253 WeakPolarHBondContact CE-OD2 3.5Å; K1249-D1253 WeakPolarHBondContact CG-OD2 3.48Å; K1249-D1253 WeakPolarHBondContact O-CB 3.16Å; K1249-D1253 PolarHBondContact O-N 3.47Å
1254	I	64.6	Low	64.5	Low	82 Å²	82	41.6 Å²	41.6	42%	0.421	24%	0.237	S	C	.	.	H	α-helix	trans	-101.5	-38.6	179.9	-61	173.1	0	0	0	113	F1245 A1250 Q1252	F1245-I1254 HydrophobicContact CD1-CB 4.45Å; F1245-I1254 HydrophobicContact CD1-CD1 3.94Å; F1245-I1254 HydrophobicContact CE1-CB 4.08Å; F1245-I1254 HydrophobicContact CE1-CD1 4.06Å; F1245-I1254 HydrophobicContact CE1-CG2 3.84Å; F1245-I1254 HydrophobicContact CZ-CG2 4.37Å; A1250-I1254 WeakPolarHBondContact O-CD1 3.33Å; A1250-I1254 WeakPolarHBondContact O-CG1 3.33Å; Q1252-I1254 PolarHBondContact O-N 2.78Å
1255	C	67.6	Low	64.6	Low	2 Å²	2	44.4 Å²	44.4	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-123.3	-14.3	-169	-69.9	0	0	0	0	116	C1204 F1225 F1245 C1251 Q1252 P1257	C1204-C1255 WeakPolarHBondContact CA-SG 3.47Å; C1204-C1255 HydrophobicContact CB-CB 3.68Å; C1204-C1255 WeakPolarHBondContact CB-SG 3.23Å; C1204-C1255 WeakPolarHBondContact SG-CA 3.23Å; C1204-C1255 WeakPolarHBondContact SG-CB 3.26Å; C1204-C1255 CovalentContact SG-SG 2.03Å; C1204-C1255 PolarHBondContact SG-SG 3.07Å; F1225-C1255 HydrophobicContact CB-CB 3.5Å; F1225-C1255 HydrophobicContact CD1-CB 4.16Å; F1225-C1255 HydrophobicContact CD2-CB 3.92Å; F1225-C1255 VanDerWaalsContact CE2-O 3.29Å; F1225-C1255 WeakPolarHBondContact CE2-O 3.31Å; F1225-C1255 HydrophobicContact CG-CB 3.61Å; F1225-C1255 WeakPolarHBondContact CZ-O 3.41Å; F1245-C1255 HydrophobicContact CE2-CB 4.44Å; F1245-C1255 HydrophobicContact CZ-CB 4.45Å; F1245-C1255 WeakPolarHBondContact CZ-SG 3.43Å; C1251-C1255 WeakPolarHBondContact O-CA 3.42Å; C1251-C1255 WeakPolarHBondContact O-CB 3.03Å; C1251-C1255 PolarHBondContact O-N 2.91Å; Q1252-C1255 PolarHBondContact O-N 2.75Å; C1255-P1257 WeakPolarHBondContact O-CD 3.18Å
1256	T	64.1	Low	64.5	Low	43 Å²	43	46.3 Å²	46.3	26%	0.264	26%	0.257	S	S	.	.	S	Bend	trans	-97.7	76.3	151.2	68.4	0	0	0	0	107.7	F1225 Q1252 G1258	F1225-T1256 HydrophobicContact CD2-CG2 4.04Å; F1225-T1256 HydrophobicContact CE2-CG2 3.79Å; Q1252-T1256 VanDerWaalsContact C-OG1 3.27Å; Q1252-T1256 WeakPolarHBondContact CA-OG1 3.42Å; Q1252-T1256 WeakPolarHBondContact CB-OG1 3.14Å; Q1252-T1256 HydrophobicContact CG-CG2 4.4Å; Q1252-T1256 CarbonylContact O-C 3.56Å; Q1252-T1256 VanDerWaalsContact O-CA 3.3Å; Q1252-T1256 WeakPolarHBondContact O-CA 3.4Å; Q1252-T1256 PolarHBondContact O-N 2.83Å; Q1252-T1256 PolarHBondContact O-OG1 2.8Å; T1256-G1258 PolarHBondContact O-N 2.81Å; T1256-G1258 VanDerWaalsContact O-N 3.08Å
1257	P	50.4	Low	64.9	Low	21 Å²	21	45.3 Å²	45.3	14%	0.136	25%	0.25	C	S	.	.			trans	-49.3	124.1	177.3	22.9	-35.7	0	0	0	109.4	C1255 H1259 P1260 D1262 V1263 F1313	C1255-P1257 WeakPolarHBondContact O-CD 3.18Å; P1257-H1259 CarbonylContact C-O 3.47Å; P1257-H1259 CarbonylContact O-C 3.58Å; P1257-H1259 VanDerWaalsContact O-CA 3.26Å; P1257-H1259 WeakPolarHBondContact O-CA 3.36Å; P1257-H1259 PolarHBondContact O-N 3Å; P1257-P1260 HydrophobicContact CG-CB 4.3Å; P1257-P1260 HydrophobicContact CG-CG 4.45Å; P1257-D1262 HydrophobicContact CB-CB 4.41Å; P1257-V1263 HydrophobicContact CB-CG2 3.88Å; P1257-V1263 HydrophobicContact CG-CG2 3.78Å; P1257-F1313 HydrophobicContact CG-CE1 4.21Å; P1257-F1313 HydrophobicContact CG-CZ 3.91Å
1258	G	42.3	Very low	64.8	Low	80 Å²	80	47.5 Å²	47.5	83%	0.825	26%	0.255	S	S	*	.	S	Bend	trans	-53.1	-34.8	-160.8	0	0	0	0	0	113.3	T1256	T1256-G1258 PolarHBondContact O-N 2.81Å; T1256-G1258 VanDerWaalsContact O-N 3.08Å
1259	H	48	Very low	64.3	Low	63 Å²	63	44.1 Å²	44.1	29%	0.292	24%	0.24	S	C	.	.	S	Bend	trans	-121.3	141.6	142	-151.7	-81.2	0	0	0	109.1	P1257 I1261 D1262 V1319	P1257-H1259 CarbonylContact C-O 3.47Å; P1257-H1259 CarbonylContact O-C 3.58Å; P1257-H1259 VanDerWaalsContact O-CA 3.26Å; P1257-H1259 WeakPolarHBondContact O-CA 3.36Å; P1257-H1259 PolarHBondContact O-N 3Å; H1259-I1261 HydrophobicContact CB-CB 4.19Å; H1259-I1261 WeakPolarHBondContact ND1-CG1 3.34Å; H1259-I1261 PolarHBondContact O-N 2.66Å; H1259-D1262 PolarHBondContact N-OD2 2.85Å; H1259-D1262 VanDerWaalsContact O-CB 3.25Å; H1259-D1262 WeakPolarHBondContact O-CB 3.33Å; H1259-D1262 PolarHBondContact O-N 2.86Å; H1259-V1319 WeakPolarHBondContact CE1-CG2 3.43Å
1260	P	55.8	Low	63.8	Low	27 Å²	27	42.1 Å²	42.1	18%	0.175	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.9	176.8	-26.7	36.6	0	0	0	114.7	P1257 D1262 V1263 C1264 F1313 K1317	P1257-P1260 HydrophobicContact CG-CB 4.3Å; P1257-P1260 HydrophobicContact CG-CG 4.45Å; P1260-D1262 PolarHBondContact O-N 3.08Å; P1260-V1263 WeakPolarHBondContact O-CB 3.22Å; P1260-V1263 PolarHBondContact O-N 3.41Å; P1260-C1264 PolarHBondContact O-N 3.48Å; P1260-C1264 VanDerWaalsContact O-N 3.1Å; P1260-C1264 PolarHBondContact O-SG 3.13Å; P1260-F1313 HydrophobicContact CB-CD1 4.42Å; P1260-F1313 HydrophobicContact CB-CE1 3.87Å; P1260-F1313 HydrophobicContact CB-CZ 4.49Å; P1260-K1317 HydrophobicContact CB-CB 3.82Å; P1260-K1317 HydrophobicContact CB-CD 3.59Å; P1260-K1317 HydrophobicContact CB-CG 3.92Å; P1260-K1317 HydrophobicContact CG-CB 4.16Å; P1260-K1317 HydrophobicContact CG-CD 3.71Å; P1260-K1317 HydrophobicContact CG-CG 3.83Å
1261	I	57.3	Low	62.8	Low	5 Å²	5	42 Å²	42	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-51.6	-32.5	163.5	-82.9	179.3	0	0	0	112.6	H1259 V1263 C1264 R1265 V1319 T1370	H1259-I1261 HydrophobicContact CB-CB 4.19Å; H1259-I1261 WeakPolarHBondContact ND1-CG1 3.34Å; H1259-I1261 PolarHBondContact O-N 2.66Å; I1261-V1263 PolarHBondContact O-N 2.96Å; I1261-C1264 PolarHBondContact O-N 2.94Å; I1261-R1265 HydrophobicContact CG2-CG 3.86Å; I1261-R1265 VanDerWaalsContact O-CB 3.27Å; I1261-R1265 WeakPolarHBondContact O-CB 3.21Å; I1261-R1265 WeakPolarHBondContact O-CG 3.23Å; I1261-R1265 PolarHBondContact O-N 3.34Å; I1261-V1319 HydrophobicContact CD1-CB 3.58Å; I1261-V1319 HydrophobicContact CD1-CG2 3.4Å; I1261-V1319 VanDerWaalsContact CD1-CG2 3.4Å; I1261-T1370 HydrophobicContact CD1-CG2 3.75Å; I1261-T1370 HydrophobicContact CG2-CG2 4.23Å
1262	D	53.5	Low	61.1	Low	75 Å²	75	42.6 Å²	42.6	40%	0.401	24%	0.238	S	C	.	.	H	α-helix	trans	-69.2	-17.5	179.4	-53.8	-35.7	0	0	0	112.3	P1257 H1259 P1260 R1265 L1266	P1257-D1262 HydrophobicContact CB-CB 4.41Å; H1259-D1262 PolarHBondContact N-OD2 2.85Å; H1259-D1262 VanDerWaalsContact O-CB 3.25Å; H1259-D1262 WeakPolarHBondContact O-CB 3.33Å; H1259-D1262 PolarHBondContact O-N 2.86Å; P1260-D1262 PolarHBondContact O-N 3.08Å; D1262-R1265 IonicContact OD1-NH1 3.56Å; D1262-L1266 WeakPolarHBondContact O-CG 3.1Å
1263	V	66	Low	59.9	Low	13 Å²	13	41.4 Å²	41.4	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-87.6	-51.7	164.8	168.8	0	0	0	0	110.3	P1257 P1260 I1261 R1265 L1266 S1301 F1304 F1313	P1257-V1263 HydrophobicContact CB-CG2 3.88Å; P1257-V1263 HydrophobicContact CG-CG2 3.78Å; P1260-V1263 WeakPolarHBondContact O-CB 3.22Å; P1260-V1263 PolarHBondContact O-N 3.41Å; I1261-V1263 PolarHBondContact O-N 2.96Å; V1263-R1265 VanDerWaalsContact C-N 3.27Å; V1263-R1265 PolarHBondContact O-N 3.31Å; V1263-L1266 WeakPolarHBondContact O-CB 3.47Å; V1263-L1266 WeakPolarHBondContact O-CG 3.34Å; V1263-L1266 PolarHBondContact O-N 2.95Å; V1263-S1301 VanDerWaalsContact CG1-O 3.24Å; V1263-S1301 WeakPolarHBondContact CG1-O 3.4Å; V1263-F1304 HydrophobicContact CG1-CZ 4.05Å; V1263-F1313 HydrophobicContact CB-CD1 4.4Å; V1263-F1313 HydrophobicContact CB-CE1 3.77Å; V1263-F1313 HydrophobicContact CG1-CD1 4.15Å; V1263-F1313 HydrophobicContact CG1-CE1 3.89Å; V1263-F1313 HydrophobicContact CG2-CE1 3.9Å; V1263-F1313 HydrophobicContact CG2-CZ 4.31Å
1264	C	74.9	Confident	59.4	Low	1 Å²	1	41.2 Å²	41.2	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-21.8	-170.4	-50.7	0	0	0	0	114	P1260 I1261 Y1282 M1284 C1314	P1260-C1264 PolarHBondContact O-N 3.48Å; P1260-C1264 VanDerWaalsContact O-N 3.1Å; P1260-C1264 PolarHBondContact O-SG 3.13Å; I1261-C1264 PolarHBondContact O-N 2.94Å; C1264-Y1282 HydrophobicContact CB-CD1 3.79Å; C1264-Y1282 HydrophobicContact CB-CG 4.13Å; C1264-M1284 WeakPolarHBondContact O-CG 3.47Å; C1264-C1314 HydrophobicContact CB-CB 3.71Å; C1264-C1314 WeakPolarHBondContact CB-SG 3.49Å; C1264-C1314 WeakPolarHBondContact SG-CA 3.43Å; C1264-C1314 WeakPolarHBondContact SG-CB 3.45Å; C1264-C1314 CovalentContact SG-SG 2.03Å; C1264-C1314 PolarHBondContact SG-SG 2.85Å
1265	R	71.8	Confident	59	Low	66 Å²	66	41.6 Å²	41.6	25%	0.249	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.6	169.4	-75.3	-174.4	-166.1	144.5	-1.8	113.7	I1261 D1262 V1263 M1284 T1370	I1261-R1265 HydrophobicContact CG2-CG 3.86Å; I1261-R1265 VanDerWaalsContact O-CB 3.27Å; I1261-R1265 WeakPolarHBondContact O-CB 3.21Å; I1261-R1265 WeakPolarHBondContact O-CG 3.23Å; I1261-R1265 PolarHBondContact O-N 3.34Å; D1262-R1265 IonicContact OD1-NH1 3.56Å; V1263-R1265 VanDerWaalsContact C-N 3.27Å; V1263-R1265 PolarHBondContact O-N 3.31Å; R1265-M1284 HydrophobicContact CB-SD 4.5Å; R1265-M1284 HydrophobicContact CG-CE 3.99Å; R1265-M1284 HydrophobicContact CG-CG 4.43Å; R1265-M1284 HydrophobicContact CG-SD 3.93Å; R1265-T1370 PolarHBondContact NH2-OG1 2.84Å
1266	L	68.6	Low	58.9	Low	45 Å²	45	48.4 Å²	48.4	24%	0.236	28%	0.276	C	S	.	.	S	Bend	trans	-65.1	133.4	168.6	-51.1	172.3	0	0	0	106.3	D1262 V1263 N1300 N1302	D1262-L1266 WeakPolarHBondContact O-CG 3.1Å; V1263-L1266 WeakPolarHBondContact O-CB 3.47Å; V1263-L1266 WeakPolarHBondContact O-CG 3.34Å; V1263-L1266 PolarHBondContact O-N 2.95Å; L1266-N1300 WeakPolarHBondContact CB-ND2 3.37Å; L1266-N1300 HydrophobicContact CD1-CB 4.22Å; L1266-N1302 HydrophobicContact CB-CB 4.09Å; L1266-N1302 WeakPolarHBondContact O-CB 3.5Å; L1266-N1302 PolarHBondContact O-ND2 3.14Å
1267	P	68	Low	59	Low	9 Å²	9	49.3 Å²	49.3	6%	0.058	28%	0.277	C	S	.	.			trans	-83.4	179.9	-179.7	12.3	-5.8	0	0	0	112.4	L963 D1269 N1300 I1377	L963-P1267 HydrophobicContact CB-CG 4.02Å; L963-P1267 HydrophobicContact CD2-CB 4.06Å; L963-P1267 HydrophobicContact CD2-CG 3.68Å; L963-P1267 VanDerWaalsContact CD2-O 3.29Å; L963-P1267 WeakPolarHBondContact CD2-O 3.41Å; L963-P1267 HydrophobicContact CG-CG 3.99Å; P1267-D1269 PolarHBondContact O-N 3.03Å; P1267-D1269 VanDerWaalsContact O-N 3.1Å; P1267-N1300 PolarHBondContact O-ND2 2.72Å; P1267-N1300 PolarHBondContact O-OD1 2.91Å; P1267-I1377 HydrophobicContact CB-CB 4.24Å; P1267-I1377 HydrophobicContact CB-CG2 3.81Å; P1267-I1377 HydrophobicContact CG-CB 3.55Å; P1267-I1377 HydrophobicContact CG-CD1 3.65Å; P1267-I1377 HydrophobicContact CG-CG1 4.19Å; P1267-I1377 HydrophobicContact CG-CG2 2.97Å
1268	Y	70	Confident	60.3	Low	72 Å²	72	57 Å²	57	28%	0.282	31%	0.309	S	S	.	.			trans	-63.1	114.4	176.7	72.9	-85.4	0	0	0	111.6	L963 H1270 Y1281 F1292 E1378	L963-Y1268 WeakPolarHBondContact CD2-O 3.43Å; Y1268-H1270 AromaticContact CE2-CD2 3.78Å; Y1268-H1270 AromaticContact CE2-CE1 3.93Å; Y1268-H1270 AromaticContact CE2-NE2 3.63Å; Y1268-Y1281 VanDerWaalsContact CB-CG 3.46Å; Y1268-Y1281 HydrophobicContact CD1-CD1 4.49Å; Y1268-Y1281 HydrophobicContact CD1-CD2 4.25Å; Y1268-Y1281 AromaticContact CD1-CE1 3.92Å; Y1268-Y1281 HydrophobicContact CD1-CE1 3.92Å; Y1268-Y1281 AromaticContact CD1-CE2 3.64Å; Y1268-Y1281 HydrophobicContact CD1-CE2 3.64Å; Y1268-Y1281 AromaticContact CD1-CZ 3.45Å; Y1268-Y1281 VanDerWaalsContact CD1-CZ 3.45Å; Y1268-Y1281 HydrophobicContact CG-CD1 4.29Å; Y1268-Y1281 HydrophobicContact CG-CD2 4.45Å; Y1268-Y1281 HydrophobicContact CG-CE1 4.07Å; Y1268-Y1281 HydrophobicContact CG-CE2 4.25Å; Y1268-Y1281 HydrophobicContact CG-CG 4.46Å; Y1268-F1292 HydrophobicContact CD2-CB 4.18Å; Y1268-F1292 AromaticContact CD2-CD2 3.92Å; Y1268-F1292 HydrophobicContact CD2-CD2 3.92Å; Y1268-F1292 HydrophobicContact CD2-CG 4.28Å; Y1268-F1292 HydrophobicContact CG-CB 4.33Å; Y1268-F1292 HydrophobicContact CG-CD2 4.36Å; Y1268-F1292 HydrophobicContact CG-CG 4.39Å; Y1268-E1378 WeakPolarHBondContact CD1-OE1 3.37Å; Y1268-E1378 HydrophobicContact CE1-CG 4.21Å; Y1268-E1378 WeakPolarHBondContact CE1-OE1 2.94Å
1269	D	67	Low	62.3	Low	2 Å²	2	53.9 Å²	53.9	1%	0.011	27%	0.272	C	S	.	.			trans	-96.6	106.8	173.3	-174.3	19.6	0	0	0	109.1	Q935 R937 L963 P1267 G1271 F1292 G1299 N1300	Q935-D1269 PolarHBondContact NE2-OD1 3.02Å; Q935-D1269 PolarHBondContact NE2-OD2 2.93Å; Q935-D1269 PolarHBondContact OE1-OD1 3.32Å; Q935-D1269 PolarHBondContact OE1-OD2 2.01Å; R937-D1269 IonicContact CZ-OD1 3.62Å; R937-D1269 IonicContact CZ-OD2 3.34Å; R937-D1269 IonicContact NE-OD1 3.22Å; R937-D1269 PolarHBondContact NE-OD1 2.81Å; R937-D1269 IonicContact NE-OD2 2.78Å; R937-D1269 IonicContact NH1-OD2 3.83Å; R937-D1269 IonicContact NH2-OD1 3.65Å; R937-D1269 IonicContact NH2-OD2 2.72Å; R937-D1269 PolarHBondContact NH2-OD2 3.19Å; L963-D1269 HydrophobicContact CD1-CB 4.25Å; L963-D1269 HydrophobicContact CD2-CB 3.64Å; P1267-D1269 PolarHBondContact O-N 3.03Å; P1267-D1269 VanDerWaalsContact O-N 3.1Å; D1269-G1271 PolarHBondContact O-N 3.45Å; D1269-F1292 VanDerWaalsContact O-CE2 3.27Å; D1269-F1292 WeakPolarHBondContact O-CE2 3.44Å; D1269-G1299 WeakPolarHBondContact OD2-CA 3.49Å; D1269-G1299 PolarHBondContact OD2-N 3.3Å; D1269-N1300 HydrophobicContact CB-CB 4.05Å; D1269-N1300 PolarHBondContact OD2-N 3.27Å
1270	H	64.1	Low	64.2	Low	94 Å²	94	53.9 Å²	53.9	44%	0.435	27%	0.269	S	S	.	.			trans	-49.7	-5.9	-171.1	-106.8	-44.6	0	0	0	116.8	Y1268 T1293 Y1294 G1295	Y1268-H1270 AromaticContact CE2-CD2 3.78Å; Y1268-H1270 AromaticContact CE2-CE1 3.93Å; Y1268-H1270 AromaticContact CE2-NE2 3.63Å; H1270-T1293 PolarHBondContact ND1-O 3.35Å; H1270-Y1294 CarbonylContact O-C 3.44Å; H1270-Y1294 WeakPolarHBondContact O-CA 3.29Å; H1270-G1295 PolarHBondContact O-N 3.49Å
1271	G	49.6	Very low	65.7	Low	7 Å²	7	53.2 Å²	53.2	7%	0.072	26%	0.264	C	S	.	.			trans	69.7	159.9	-165.4	0	0	0	0	0	110.4	Q935 D1269 C1297	Q935-G1271 WeakPolarHBondContact CG-O 3.33Å; Q935-G1271 VanDerWaalsContact NE2-CA 3.31Å; D1269-G1271 PolarHBondContact O-N 3.45Å; G1271-C1297 CarbonylContact C-O 3.57Å; G1271-C1297 WeakPolarHBondContact CA-O 3.44Å
1272	G	38.5	Very low	67	Low	12 Å²	12	53 Å²	53	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	-101.8	-25.7	-179.7	0	0	0	0	0	114.2	S933 F934 C1297	S933-G1272 VanDerWaalsContact C-CA 3.45Å; S933-G1272 CarbonylContact C-O 3.58Å; S933-G1272 WeakPolarHBondContact CA-O 3.49Å; S933-G1272 VanDerWaalsContact CB-O 3.29Å; S933-G1272 WeakPolarHBondContact CB-O 3.42Å; S933-G1272 WeakPolarHBondContact O-CA 3.29Å; S933-G1272 VanDerWaalsContact OG-C 3.3Å; S933-G1272 PolarHBondContact OG-O 3.11Å; F934-G1272 PolarHBondContact N-O 2.85Å; G1272-C1297 PolarHBondContact N-O 3.47Å
1273	C	52.4	Low	68.2	Low	44 Å²	44	49.4 Å²	49.4	30%	0.297	24%	0.243	S	C	.	.	S	Bend	trans	-76.8	175.7	-179.3	-73.1	0	0	0	0	112.1	S933 G1295 C1297	S933-C1273 WeakPolarHBondContact OG-CA 3.41Å; S933-C1273 PolarHBondContact OG-N 3.39Å; S933-C1273 PolarHBondContact OG-SG 3.46Å; C1273-G1295 CarbonylContact C-O 3.15Å; C1273-G1295 WeakPolarHBondContact CA-O 3.36Å; C1273-G1295 WeakPolarHBondContact CB-O 2.92Å; C1273-G1295 CarbonylContact O-C 3.13Å; C1273-G1295 WeakPolarHBondContact O-CA 3.38Å; C1273-G1295 VanDerWaalsContact O-O 3.08Å; C1273-C1297 HydrophobicContact CB-CB 3.84Å; C1273-C1297 WeakPolarHBondContact CB-SG 3.39Å; C1273-C1297 PolarHBondContact N-SG 3.09Å; C1273-C1297 WeakPolarHBondContact SG-CB 2.99Å; C1273-C1297 CovalentContact SG-SG 2.02Å; C1273-C1297 PolarHBondContact SG-SG 2.72Å
1274	S	52.8	Low	68.3	Low	102 Å²	102	49.2 Å²	49.2	71%	0.713	24%	0.242	S	C	*	.	S	Bend	trans	-100.2	8.4	178.3	48.8	0	0	0	0	114.6	F1276 G1295	S1274-F1276 WeakPolarHBondContact O-CD2 3.13Å; S1274-F1276 PolarHBondContact O-N 3.38Å; S1274-F1276 VanDerWaalsContact O-N 3.17Å; S1274-G1295 PolarHBondContact N-O 2.79Å
1275	N	56	Low	67.8	Low	90 Å²	90	53.4 Å²	53.4	48%	0.481	26%	0.261	S	S	.	.			trans	-86.5	76.6	175.3	174.2	47.5	0	0	0	109.9	E1277 G1295 G1296	N1275-E1277 PolarHBondContact ND2-OE1 2.75Å; N1275-E1277 PolarHBondContact O-N 3.16Å; N1275-G1295 CarbonylContact C-O 3.4Å; N1275-G1295 WeakPolarHBondContact CA-O 3.3Å; N1275-G1295 PolarHBondContact N-O 2.88Å; N1275-G1295 CarbonylContact O-C 3.57Å; N1275-G1295 VanDerWaalsContact O-O 3.09Å; N1275-G1296 VanDerWaalsContact O-CA 3.31Å; N1275-G1296 WeakPolarHBondContact O-CA 3.25Å; N1275-G1296 PolarHBondContact O-N 2.04Å; N1275-G1296 VanDerWaalsContact O-N 3.09Å
1276	F	65.8	Low	67.8	Low	145 Å²	145	55 Å²	55	64%	0.636	27%	0.27	S	S	*	.			trans	-68.3	89.2	-172	-65.2	-62.6	0	0	0	113.9	S1274 T1293 Y1294	S1274-F1276 WeakPolarHBondContact O-CD2 3.13Å; S1274-F1276 PolarHBondContact O-N 3.38Å; S1274-F1276 VanDerWaalsContact O-N 3.17Å; F1276-T1293 HydrophobicContact CB-CG2 3.64Å; F1276-T1293 HydrophobicContact CD1-CG2 3.69Å; F1276-T1293 HydrophobicContact CG-CG2 3.98Å; F1276-Y1294 CarbonylContact C-O 3.48Å; F1276-Y1294 WeakPolarHBondContact CA-O 3.4Å
1277	E	65.6	Low	67.9	Low	62 Å²	62	52.9 Å²	52.9	29%	0.29	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	144.9	172.4	-68.4	172	-165	0	0	111.2	N1275 R1279 Y1294	N1275-E1277 PolarHBondContact ND2-OE1 2.75Å; N1275-E1277 PolarHBondContact O-N 3.16Å; E1277-R1279 PolarHBondContact O-N 2.82Å; E1277-R1279 IonicContact OE2-CZ 2.75Å; E1277-R1279 IonicContact OE2-NE 3.26Å; E1277-R1279 PolarHBondContact OE2-NE 3.1Å; E1277-R1279 VanDerWaalsContact OE2-NE 3.14Å; E1277-R1279 IonicContact OE2-NH2 3.49Å; E1277-R1279 PolarHBondContact OE2-NH2 3.27Å; E1277-Y1294 PolarHBondContact N-O 3.19Å; E1277-Y1294 PolarHBondContact O-N 3.39Å
1278	K	78.8	Confident	68.5	Low	182 Å²	182	56.1 Å²	56.1	79%	0.791	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.7	165.9	-71.5	-177.1	179.2	178.2	0	109
1279	R	84.9	Confident	69.3	Low	15 Å²	15	53 Å²	53	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	170.9	171.8	-63.7	-67.2	-173.9	108.4	5.3	109.1	D1199 E1277 P1291 F1292 Y1294 R1303 F1304	D1199-R1279 IonicContact OD1-CZ 2.7Å; D1199-R1279 IonicContact OD1-NH1 3.51Å; D1199-R1279 PolarHBondContact OD1-NH1 3.24Å; D1199-R1279 IonicContact OD1-NH2 3.84Å; D1199-R1279 IonicContact OD2-NH1 3.93Å; D1199-R1279 PolarHBondContact OD2-NH1 3.14Å; E1277-R1279 PolarHBondContact O-N 2.82Å; E1277-R1279 IonicContact OE2-CZ 2.75Å; E1277-R1279 IonicContact OE2-NE 3.26Å; E1277-R1279 PolarHBondContact OE2-NE 3.1Å; E1277-R1279 VanDerWaalsContact OE2-NE 3.14Å; E1277-R1279 IonicContact OE2-NH2 3.49Å; E1277-R1279 PolarHBondContact OE2-NH2 3.27Å; R1279-P1291 CarbonylContact O-C 3.59Å; R1279-P1291 WeakPolarHBondContact O-CA 3.24Å; R1279-F1292 HydrophobicContact CB-CD1 4.24Å; R1279-F1292 HydrophobicContact CB-CE1 3.77Å; R1279-F1292 HydrophobicContact CB-CZ 4.16Å; R1279-F1292 PolarHBondContact N-O 3.33Å; R1279-F1292 WeakPolarHBondContact O-CD1 3.09Å; R1279-F1292 PolarHBondContact O-N 2.76Å; R1279-F1292 VanDerWaalsContact O-O 3.14Å; R1279-Y1294 HydrophobicContact CG-CD1 3.79Å; R1279-Y1294 HydrophobicContact CG-CG 3.9Å; R1279-R1303 HydrophobicContact CB-CG 3.7Å; R1279-R1303 HydrophobicContact CG-CG 3.8Å; R1279-F1304 WeakPolarHBondContact CA-O 3.28Å; R1279-F1304 WeakPolarHBondContact CB-O 3.44Å; R1279-F1304 WeakPolarHBondContact CD-O 3.45Å
1280	W	87.7	Confident	70.2	Confident	63 Å²	63	55.3 Å²	55.3	24%	0.239	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.5	-179.9	-65.5	80.1	0	0	0	110.8	C1289 M1290 P1291 R1303 F1304 K1307 C1310	W1280-C1289 HydrophobicContact CE3-CB 4.24Å; W1280-C1289 WeakPolarHBondContact CZ3-O 3.14Å; W1280-M1290 WeakPolarHBondContact CA-O 3.33Å; W1280-P1291 HydrophobicContact CD2-CB 4.31Å; W1280-P1291 HydrophobicContact CE3-CB 4.23Å; W1280-P1291 HydrophobicContact CH2-CB 4.11Å; W1280-P1291 HydrophobicContact CH2-CG 4.26Å; W1280-P1291 HydrophobicContact CZ2-CB 4.18Å; W1280-P1291 HydrophobicContact CZ3-CB 4.13Å; W1280-P1291 HydrophobicContact CZ3-CG 4.23Å; W1280-R1303 WeakPolarHBondContact O-CA 3.2Å; W1280-F1304 HydrophobicContact CB-CB 4.43Å; W1280-F1304 PolarHBondContact N-O 2.97Å; W1280-F1304 WeakPolarHBondContact O-CD2 3.43Å; W1280-F1304 PolarHBondContact O-N 3.02Å; W1280-K1307 VanDerWaalsContact CD1-N 3.29Å; W1280-K1307 HydrophobicContact CD2-CB 3.69Å; W1280-K1307 HydrophobicContact CD2-CG 4.2Å; W1280-K1307 HydrophobicContact CE3-CB 3.84Å; W1280-K1307 HydrophobicContact CE3-CD 4.42Å; W1280-K1307 HydrophobicContact CE3-CG 3.81Å; W1280-K1307 HydrophobicContact CG-CB 4.27Å; W1280-K1307 HydrophobicContact CH2-CB 4.05Å; W1280-K1307 HydrophobicContact CH2-CD 3.91Å; W1280-K1307 HydrophobicContact CH2-CG 4.11Å; W1280-K1307 HydrophobicContact CZ2-CB 3.9Å; W1280-K1307 HydrophobicContact CZ2-CG 4.47Å; W1280-K1307 HydrophobicContact CZ3-CB 4.01Å; W1280-K1307 HydrophobicContact CZ3-CD 3.85Å; W1280-K1307 HydrophobicContact CZ3-CG 3.76Å; W1280-C1310 HydrophobicContact CB-CB 3.85Å
1281	Y	86.8	Confident	71.3	Confident	13 Å²	13	54.2 Å²	54.2	5%	0.051	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.6	173.9	79.9	-81.1	0	0	0	109.9	Y1268 D1283 C1289 M1290 F1292 N1302 E1378	Y1268-Y1281 VanDerWaalsContact CB-CG 3.46Å; Y1268-Y1281 HydrophobicContact CD1-CD1 4.49Å; Y1268-Y1281 HydrophobicContact CD1-CD2 4.25Å; Y1268-Y1281 AromaticContact CD1-CE1 3.92Å; Y1268-Y1281 HydrophobicContact CD1-CE1 3.92Å; Y1268-Y1281 AromaticContact CD1-CE2 3.64Å; Y1268-Y1281 HydrophobicContact CD1-CE2 3.64Å; Y1268-Y1281 AromaticContact CD1-CZ 3.45Å; Y1268-Y1281 VanDerWaalsContact CD1-CZ 3.45Å; Y1268-Y1281 HydrophobicContact CG-CD1 4.29Å; Y1268-Y1281 HydrophobicContact CG-CD2 4.45Å; Y1268-Y1281 HydrophobicContact CG-CE1 4.07Å; Y1268-Y1281 HydrophobicContact CG-CE2 4.25Å; Y1268-Y1281 HydrophobicContact CG-CG 4.46Å; Y1281-D1283 HydrophobicContact CD2-CB 4.3Å; Y1281-D1283 HydrophobicContact CE2-CB 3.65Å; Y1281-D1283 PolarHBondContact O-N 2.73Å; Y1281-C1289 CarbonylContact O-C 2.73Å; Y1281-C1289 VanDerWaalsContact O-CA 3.26Å; Y1281-C1289 WeakPolarHBondContact O-CA 3.39Å; Y1281-M1290 HydrophobicContact CD1-CB 3.88Å; Y1281-M1290 WeakPolarHBondContact CD1-O 3.16Å; Y1281-M1290 HydrophobicContact CE1-CB 3.37Å; Y1281-M1290 HydrophobicContact CE1-CG 4.45Å; Y1281-M1290 PolarHBondContact N-O 2.95Å; Y1281-M1290 PolarHBondContact O-N 3Å; Y1281-F1292 HydrophobicContact CD1-CB 3.83Å; Y1281-F1292 AromaticContact CD1-CD1 3.69Å; Y1281-F1292 HydrophobicContact CD1-CD1 3.69Å; Y1281-F1292 HydrophobicContact CD1-CG 4.05Å; Y1281-F1292 HydrophobicContact CE1-CB 4Å; Y1281-F1292 HydrophobicContact CG-CD1 4.2Å; Y1281-N1302 WeakPolarHBondContact CB-O 3.25Å; Y1281-E1378 VanDerWaalsContact CE2-OE1 3.32Å; Y1281-E1378 WeakPolarHBondContact CE2-OE1 3.04Å; Y1281-E1378 PolarHBondContact OH-OE1 2.81Å
1282	Y	83.9	Confident	73	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	107.1	170.4	-170.2	-99.5	0	0	0	110.4	C1264 M1284 R1287 N1302 C1310 C1314 M1315 D1318	C1264-Y1282 HydrophobicContact CB-CD1 3.79Å; C1264-Y1282 HydrophobicContact CB-CG 4.13Å; Y1282-M1284 HydrophobicContact CD1-CG 4.31Å; Y1282-M1284 HydrophobicContact CD1-SD 3.75Å; Y1282-M1284 HydrophobicContact CE1-CG 4.47Å; Y1282-M1284 HydrophobicContact CE1-SD 3.58Å; Y1282-M1284 VanDerWaalsContact CE1-SD 3.58Å; Y1282-M1284 PolarHBondContact O-N 3.18Å; Y1282-R1287 WeakPolarHBondContact CE2-O 3.35Å; Y1282-R1287 VanDerWaalsContact CZ-O 3.23Å; Y1282-R1287 VanDerWaalsContact OH-C 3.32Å; Y1282-R1287 WeakPolarHBondContact OH-CA 2.99Å; Y1282-R1287 WeakPolarHBondContact OH-CB 3.48Å; Y1282-R1287 WeakPolarHBondContact OH-CD 3.45Å; Y1282-R1287 PolarHBondContact OH-O 3.04Å; Y1282-N1302 WeakPolarHBondContact CB-OD1 2.97Å; Y1282-N1302 VanDerWaalsContact N-CG 3.35Å; Y1282-N1302 PolarHBondContact N-ND2 3.06Å; Y1282-N1302 VanDerWaalsContact N-ND2 3.15Å; Y1282-N1302 PolarHBondContact N-OD1 2.81Å; Y1282-N1302 PolarHBondContact O-ND2 3.47Å; Y1282-C1310 PolarHBondContact N-SG 2.72Å; Y1282-C1310 VanDerWaalsContact N-SG 3.45Å; Y1282-C1314 HydrophobicContact CD1-CB 4.2Å; Y1282-C1314 HydrophobicContact CD2-CB 3.34Å; Y1282-C1314 HydrophobicContact CE2-CB 4.06Å; Y1282-C1314 HydrophobicContact CG-CB 3.42Å; Y1282-C1314 VanDerWaalsContact CG-CB 3.42Å; Y1282-M1315 HydrophobicContact CE2-CG 3.92Å; Y1282-D1318 HydrophobicContact CE1-CB 4.3Å; Y1282-D1318 WeakPolarHBondContact OH-CB 3.33Å; Y1282-D1318 PolarHBondContact OH-OD2 3.13Å
1283	D	78.7	Confident	74.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	113.8	173.2	178.8	-37.3	0	0	0	108.9	Y1281 Q1285 K1286 R1287 M1288 M1290	Y1281-D1283 HydrophobicContact CD2-CB 4.3Å; Y1281-D1283 HydrophobicContact CE2-CB 3.65Å; Y1281-D1283 PolarHBondContact O-N 2.73Å; D1283-Q1285 VanDerWaalsContact C-N 3.29Å; D1283-Q1285 PolarHBondContact O-N 3.14Å; D1283-Q1285 WeakPolarHBondContact OD1-CA 3.37Å; D1283-Q1285 WeakPolarHBondContact OD1-CB 3.24Å; D1283-Q1285 PolarHBondContact OD1-N 2.94Å; D1283-K1286 HydrophobicContact CB-CB 4.2Å; D1283-K1286 PolarHBondContact OD1-N 2.94Å; D1283-K1286 WeakPolarHBondContact OD2-CD 3.35Å; D1283-K1286 WeakPolarHBondContact OD2-CE 3.27Å; D1283-K1286 WeakPolarHBondContact OD2-CG 3.44Å; D1283-K1286 IonicContact OD2-NZ 3.85Å; D1283-K1286 PolarHBondContact OD2-NZ 2.63Å; D1283-R1287 CarbonylContact O-C 3.5Å; D1283-R1287 WeakPolarHBondContact O-CA 3.14Å; D1283-R1287 PolarHBondContact O-N 2.78Å; D1283-M1288 WeakPolarHBondContact CB-O 3.04Å; D1283-M1288 PolarHBondContact N-O 2.67Å; D1283-M1288 PolarHBondContact O-N 2.94Å; D1283-M1290 HydrophobicContact CB-CB 4.31Å; D1283-M1290 HydrophobicContact CB-CG 3.65Å
1284	M	69.4	Low	75.6	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.039	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.7	-179.9	-75.2	-67.3	-51.8	0	0	114.4	C1264 R1265 Y1282 R1287 T1370 V1374	C1264-M1284 WeakPolarHBondContact O-CG 3.47Å; R1265-M1284 HydrophobicContact CB-SD 4.5Å; R1265-M1284 HydrophobicContact CG-CE 3.99Å; R1265-M1284 HydrophobicContact CG-CG 4.43Å; R1265-M1284 HydrophobicContact CG-SD 3.93Å; Y1282-M1284 HydrophobicContact CD1-CG 4.31Å; Y1282-M1284 HydrophobicContact CD1-SD 3.75Å; Y1282-M1284 HydrophobicContact CE1-CG 4.47Å; Y1282-M1284 HydrophobicContact CE1-SD 3.58Å; Y1282-M1284 VanDerWaalsContact CE1-SD 3.58Å; Y1282-M1284 PolarHBondContact O-N 3.18Å; M1284-R1287 WeakPolarHBondContact O-CD 3.3Å; M1284-R1287 PolarHBondContact O-NE 2.78Å; M1284-R1287 VanDerWaalsContact O-NE 3.1Å; M1284-T1370 WeakPolarHBondContact CE-O 3.15Å; M1284-V1374 HydrophobicContact CB-CB 4.25Å; M1284-V1374 HydrophobicContact CB-CG1 3.58Å; M1284-V1374 HydrophobicContact CB-CG2 3.58Å; M1284-V1374 HydrophobicContact CG-CG1 4.05Å
1285	Q	63.8	Low	75.7	Confident	90 Å²	90	50.3 Å²	50.3	42%	0.421	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-47.9	179.3	-54.4	-163.5	30	0	0	111.5	D1283 R1287 V1374 E1378	D1283-Q1285 VanDerWaalsContact C-N 3.29Å; D1283-Q1285 PolarHBondContact O-N 3.14Å; D1283-Q1285 WeakPolarHBondContact OD1-CA 3.37Å; D1283-Q1285 WeakPolarHBondContact OD1-CB 3.24Å; D1283-Q1285 PolarHBondContact OD1-N 2.94Å; Q1285-R1287 VanDerWaalsContact C-N 3.3Å; Q1285-V1374 HydrophobicContact CG-CG2 4.36Å; Q1285-E1378 PolarHBondContact NE2-O 3.19Å
1286	K	70.9	Confident	75.4	Confident	100 Å²	100	46.6 Å²	46.6	44%	0.435	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.7	173.6	-56	-178.3	-165.9	81.9	0	112.1	D1283 M1288 M1290	D1283-K1286 HydrophobicContact CB-CB 4.2Å; D1283-K1286 PolarHBondContact OD1-N 2.94Å; D1283-K1286 WeakPolarHBondContact OD2-CD 3.35Å; D1283-K1286 WeakPolarHBondContact OD2-CE 3.27Å; D1283-K1286 WeakPolarHBondContact OD2-CG 3.44Å; D1283-K1286 IonicContact OD2-NZ 3.85Å; D1283-K1286 PolarHBondContact OD2-NZ 2.63Å; K1286-M1288 HydrophobicContact CB-CE 4.27Å; K1286-M1288 HydrophobicContact CB-CG 3.76Å; K1286-M1288 HydrophobicContact CB-SD 4.24Å; K1286-M1288 WeakPolarHBondContact O-CE 3.12Å; K1286-M1288 PolarHBondContact O-N 3.35Å; K1286-M1290 HydrophobicContact CD-CE 4.12Å; K1286-M1290 HydrophobicContact CD-CG 4.17Å; K1286-M1290 HydrophobicContact CD-SD 3.89Å
1287	R	71.9	Confident	74.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	18.5	-178.5	-62.8	-68.4	-166.2	68.4	14.1	115.4	Y1282 D1283 M1284 Q1285 D1318 C1320 R1321 Y1339 C1371	Y1282-R1287 WeakPolarHBondContact CE2-O 3.35Å; Y1282-R1287 VanDerWaalsContact CZ-O 3.23Å; Y1282-R1287 VanDerWaalsContact OH-C 3.32Å; Y1282-R1287 WeakPolarHBondContact OH-CA 2.99Å; Y1282-R1287 WeakPolarHBondContact OH-CB 3.48Å; Y1282-R1287 WeakPolarHBondContact OH-CD 3.45Å; Y1282-R1287 PolarHBondContact OH-O 3.04Å; D1283-R1287 CarbonylContact O-C 3.5Å; D1283-R1287 WeakPolarHBondContact O-CA 3.14Å; D1283-R1287 PolarHBondContact O-N 2.78Å; M1284-R1287 WeakPolarHBondContact O-CD 3.3Å; M1284-R1287 PolarHBondContact O-NE 2.78Å; M1284-R1287 VanDerWaalsContact O-NE 3.1Å; Q1285-R1287 VanDerWaalsContact C-N 3.3Å; R1287-D1318 IonicContact CZ-OD2 2.69Å; R1287-D1318 IonicContact NE-OD2 3.17Å; R1287-D1318 IonicContact NH1-OD2 3.78Å; R1287-D1318 PolarHBondContact NH1-OD2 2.93Å; R1287-D1318 VanDerWaalsContact NH1-OD2 3.1Å; R1287-C1320 PolarHBondContact NH1-O 3Å; R1287-R1321 HydrophobicContact CB-CG 4.08Å; R1287-R1321 WeakPolarHBondContact O-CD 3.25Å; R1287-R1321 PolarHBondContact O-NE 3.23Å; R1287-R1321 PolarHBondContact O-NH1 2.74Å; R1287-R1321 VanDerWaalsContact O-NH1 3.14Å; R1287-R1321 PolarHBondContact O-NH2 3.26Å; R1287-Y1339 VanDerWaalsContact NH2-CE2 3.32Å; R1287-C1371 PolarHBondContact NH2-O 2.96Å
1288	M	80.8	Confident	74	Confident	77 Å²	77	40.7 Å²	40.7	38%	0.379	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.2	-171.8	61.3	-177.3	67.1	0	0	110.5	D1283 K1286 M1290	D1283-M1288 WeakPolarHBondContact CB-O 3.04Å; D1283-M1288 PolarHBondContact N-O 2.67Å; D1283-M1288 PolarHBondContact O-N 2.94Å; K1286-M1288 HydrophobicContact CB-CE 4.27Å; K1286-M1288 HydrophobicContact CB-CG 3.76Å; K1286-M1288 HydrophobicContact CB-SD 4.24Å; K1286-M1288 WeakPolarHBondContact O-CE 3.12Å; K1286-M1288 PolarHBondContact O-N 3.35Å; M1288-M1290 HydrophobicContact CG-CG 4.09Å; M1288-M1290 HydrophobicContact CG-SD 3.82Å; M1288-M1290 PolarHBondContact O-N 3.35Å; M1288-M1290 HydrophobicContact SD-SD 3.81Å
1289	C	85.5	Confident	72.8	Confident	6 Å²	6	33 Å²	33	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	113.4	171.5	-72.8	0	0	0	0	109.9	W1280 Y1281 K1307 C1310 E1311	W1280-C1289 HydrophobicContact CE3-CB 4.24Å; W1280-C1289 WeakPolarHBondContact CZ3-O 3.14Å; Y1281-C1289 CarbonylContact O-C 2.73Å; Y1281-C1289 VanDerWaalsContact O-CA 3.26Å; Y1281-C1289 WeakPolarHBondContact O-CA 3.39Å; C1289-K1307 HydrophobicContact CB-CG 4.39Å; C1289-C1310 HydrophobicContact CB-CB 3.69Å; C1289-C1310 WeakPolarHBondContact CB-SG 3.4Å; C1289-C1310 WeakPolarHBondContact SG-CB 3.49Å; C1289-C1310 PolarHBondContact SG-O 3.35Å; C1289-C1310 CovalentContact SG-SG 2.02Å; C1289-C1310 PolarHBondContact SG-SG 3.37Å; C1289-E1311 HydrophobicContact CB-CG 3.52Å; C1289-E1311 WeakPolarHBondContact SG-CG 3.31Å; C1289-E1311 PolarHBondContact SG-N 2.77Å; C1289-E1311 VanDerWaalsContact SG-N 3.37Å
1290	M	86.5	Confident	71.5	Confident	51 Å²	51	33.4 Å²	33.4	25%	0.251	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.3	177.9	-69.3	-63.1	-66.1	0	0	109.2	W1280 Y1281 D1283 K1286 M1288	W1280-M1290 WeakPolarHBondContact CA-O 3.33Å; Y1281-M1290 HydrophobicContact CD1-CB 3.88Å; Y1281-M1290 WeakPolarHBondContact CD1-O 3.16Å; Y1281-M1290 HydrophobicContact CE1-CB 3.37Å; Y1281-M1290 HydrophobicContact CE1-CG 4.45Å; Y1281-M1290 PolarHBondContact N-O 2.95Å; Y1281-M1290 PolarHBondContact O-N 3Å; D1283-M1290 HydrophobicContact CB-CB 4.31Å; D1283-M1290 HydrophobicContact CB-CG 3.65Å; K1286-M1290 HydrophobicContact CD-CE 4.12Å; K1286-M1290 HydrophobicContact CD-CG 4.17Å; K1286-M1290 HydrophobicContact CD-SD 3.89Å; M1288-M1290 HydrophobicContact CG-CG 4.09Å; M1288-M1290 HydrophobicContact CG-SD 3.82Å; M1288-M1290 PolarHBondContact O-N 3.35Å; M1288-M1290 HydrophobicContact SD-SD 3.81Å
1291	P	86.8	Confident	70.9	Confident	71 Å²	71	32.9 Å²	32.9	46%	0.461	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	143.7	171.4	32.2	-32.8	0	0	0	109.8	R1279 W1280	R1279-P1291 CarbonylContact O-C 3.59Å; R1279-P1291 WeakPolarHBondContact O-CA 3.24Å; W1280-P1291 HydrophobicContact CD2-CB 4.31Å; W1280-P1291 HydrophobicContact CE3-CB 4.23Å; W1280-P1291 HydrophobicContact CH2-CB 4.11Å; W1280-P1291 HydrophobicContact CH2-CG 4.26Å; W1280-P1291 HydrophobicContact CZ2-CB 4.18Å; W1280-P1291 HydrophobicContact CZ3-CB 4.13Å; W1280-P1291 HydrophobicContact CZ3-CG 4.23Å
1292	F	85.8	Confident	70.4	Confident	13 Å²	13	32.3 Å²	32.3	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.1	170.6	80.8	-77.2	0	0	0	111.7	Y1268 D1269 R1279 Y1281 Y1294 R1303	Y1268-F1292 HydrophobicContact CD2-CB 4.18Å; Y1268-F1292 AromaticContact CD2-CD2 3.92Å; Y1268-F1292 HydrophobicContact CD2-CD2 3.92Å; Y1268-F1292 HydrophobicContact CD2-CG 4.28Å; Y1268-F1292 HydrophobicContact CG-CB 4.33Å; Y1268-F1292 HydrophobicContact CG-CD2 4.36Å; Y1268-F1292 HydrophobicContact CG-CG 4.39Å; D1269-F1292 VanDerWaalsContact O-CE2 3.27Å; D1269-F1292 WeakPolarHBondContact O-CE2 3.44Å; R1279-F1292 HydrophobicContact CB-CD1 4.24Å; R1279-F1292 HydrophobicContact CB-CE1 3.77Å; R1279-F1292 HydrophobicContact CB-CZ 4.16Å; R1279-F1292 PolarHBondContact N-O 3.33Å; R1279-F1292 WeakPolarHBondContact O-CD1 3.09Å; R1279-F1292 PolarHBondContact O-N 2.76Å; R1279-F1292 VanDerWaalsContact O-O 3.14Å; Y1281-F1292 HydrophobicContact CD1-CB 3.83Å; Y1281-F1292 AromaticContact CD1-CD1 3.69Å; Y1281-F1292 HydrophobicContact CD1-CD1 3.69Å; Y1281-F1292 HydrophobicContact CD1-CG 4.05Å; Y1281-F1292 HydrophobicContact CE1-CB 4Å; Y1281-F1292 HydrophobicContact CG-CD1 4.2Å; F1292-Y1294 HydrophobicContact CE2-CD2 4.23Å; F1292-Y1294 HydrophobicContact CE2-CG 4.42Å; F1292-Y1294 HydrophobicContact CZ-CD2 4.34Å; F1292-Y1294 PolarHBondContact O-N 2.94Å; F1292-R1303 HydrophobicContact CE1-CB 4.31Å; F1292-R1303 HydrophobicContact CE1-CG 4.15Å; F1292-R1303 HydrophobicContact CZ-CB 4.02Å; F1292-R1303 HydrophobicContact CZ-CG 3.86Å
1293	T	79	Confident	70.4	Confident	70 Å²	70	32.6 Å²	32.6	43%	0.429	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.6	175.3	-41.2	0	0	0	0	109	H1270 F1276	H1270-T1293 PolarHBondContact ND1-O 3.35Å; F1276-T1293 HydrophobicContact CB-CG2 3.64Å; F1276-T1293 HydrophobicContact CD1-CG2 3.69Å; F1276-T1293 HydrophobicContact CG-CG2 3.98Å
1294	Y	66.8	Low	70.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.7	178.6	167.7	-101.9	0	0	0	110	Q1201 H1270 F1276 E1277 R1279 F1292 G1296 C1297 F1298 R1303	Q1201-Y1294 PolarHBondContact OE1-OH 2.98Å; H1270-Y1294 CarbonylContact O-C 3.44Å; H1270-Y1294 WeakPolarHBondContact O-CA 3.29Å; F1276-Y1294 CarbonylContact C-O 3.48Å; F1276-Y1294 WeakPolarHBondContact CA-O 3.4Å; E1277-Y1294 PolarHBondContact N-O 3.19Å; E1277-Y1294 PolarHBondContact O-N 3.39Å; R1279-Y1294 HydrophobicContact CG-CD1 3.79Å; R1279-Y1294 HydrophobicContact CG-CG 3.9Å; F1292-Y1294 HydrophobicContact CE2-CD2 4.23Å; F1292-Y1294 HydrophobicContact CE2-CG 4.42Å; F1292-Y1294 HydrophobicContact CZ-CD2 4.34Å; F1292-Y1294 PolarHBondContact O-N 2.94Å; Y1294-G1296 VanDerWaalsContact CD1-N 3.29Å; Y1294-G1296 VanDerWaalsContact CE1-N 3.3Å; Y1294-G1296 PolarHBondContact O-N 3.28Å; Y1294-C1297 WeakPolarHBondContact OH-CA 3.31Å; Y1294-C1297 PolarHBondContact OH-N 3.48Å; Y1294-C1297 PolarHBondContact OH-O 3.29Å; Y1294-F1298 PolarHBondContact OH-N 3.22Å; Y1294-F1298 PolarHBondContact OH-O 3.15Å; Y1294-R1303 HydrophobicContact CD2-CG 4.32Å; Y1294-R1303 HydrophobicContact CG-CG 4.35Å; Y1294-R1303 PolarHBondContact OH-NH1 3.14Å
1295	G	53.9	Low	71	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.			trans	-64.8	2.9	-173.7	0	0	0	0	0	117	H1270 C1273 S1274 N1275	H1270-G1295 PolarHBondContact O-N 3.49Å; C1273-G1295 CarbonylContact C-O 3.15Å; C1273-G1295 WeakPolarHBondContact CA-O 3.36Å; C1273-G1295 WeakPolarHBondContact CB-O 2.92Å; C1273-G1295 CarbonylContact O-C 3.13Å; C1273-G1295 WeakPolarHBondContact O-CA 3.38Å; C1273-G1295 VanDerWaalsContact O-O 3.08Å; S1274-G1295 PolarHBondContact N-O 2.79Å; N1275-G1295 CarbonylContact C-O 3.4Å; N1275-G1295 WeakPolarHBondContact CA-O 3.3Å; N1275-G1295 PolarHBondContact N-O 2.88Å; N1275-G1295 CarbonylContact O-C 3.57Å; N1275-G1295 VanDerWaalsContact O-O 3.09Å
1296	G	50.7	Low	71.7	Confident	12 Å²	12	33.5 Å²	33.5	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	87.5	1.2	172.6	0	0	0	0	0	115.4	Q1201 N1275 Y1294	Q1201-G1296 PolarHBondContact NE2-O 2.82Å; Q1201-G1296 VanDerWaalsContact NE2-O 3.1Å; N1275-G1296 VanDerWaalsContact O-CA 3.31Å; N1275-G1296 WeakPolarHBondContact O-CA 3.25Å; N1275-G1296 PolarHBondContact O-N 2.04Å; N1275-G1296 VanDerWaalsContact O-N 3.09Å; Y1294-G1296 VanDerWaalsContact CD1-N 3.29Å; Y1294-G1296 VanDerWaalsContact CE1-N 3.3Å; Y1294-G1296 PolarHBondContact O-N 3.28Å
1297	C	49.6	Very low	72.2	Confident	20 Å²	20	30.8 Å²	30.8	14%	0.135	18%	0.18	C	C	.	.	S	Bend	trans	-152.3	158.7	166	75.8	0	0	0	0	111.8	G1271 G1272 C1273 Y1294	G1271-C1297 CarbonylContact C-O 3.57Å; G1271-C1297 WeakPolarHBondContact CA-O 3.44Å; G1272-C1297 PolarHBondContact N-O 3.47Å; C1273-C1297 HydrophobicContact CB-CB 3.84Å; C1273-C1297 WeakPolarHBondContact CB-SG 3.39Å; C1273-C1297 PolarHBondContact N-SG 3.09Å; C1273-C1297 WeakPolarHBondContact SG-CB 2.99Å; C1273-C1297 CovalentContact SG-SG 2.02Å; C1273-C1297 PolarHBondContact SG-SG 2.72Å; Y1294-C1297 WeakPolarHBondContact OH-CA 3.31Å; Y1294-C1297 PolarHBondContact OH-N 3.48Å; Y1294-C1297 PolarHBondContact OH-O 3.29Å
1298	F	51.4	Low	72.2	Confident	62 Å²	62	31.2 Å²	31.2	27%	0.272	18%	0.184	S	C	.	.			trans	67.6	-124.7	-175.8	-47.9	-51.5	0	0	0	112.3	C931 S933 G954 C955 Y1294 R1303	C931-F1298 HydrophobicContact CB-CE2 3.79Å; C931-F1298 HydrophobicContact CB-CZ 3.67Å; S933-F1298 VanDerWaalsContact CB-CE2 3.48Å; G954-F1298 VanDerWaalsContact C-CD2 3.47Å; G954-F1298 VanDerWaalsContact CA-CG 3.42Å; G954-F1298 VanDerWaalsContact O-CB 3.28Å; G954-F1298 WeakPolarHBondContact O-CB 2.92Å; G954-F1298 WeakPolarHBondContact O-CD1 3.48Å; G954-F1298 WeakPolarHBondContact O-CG 3.34Å; C955-F1298 HydrophobicContact CB-CD1 4.03Å; C955-F1298 HydrophobicContact CB-CE1 3.4Å; C955-F1298 VanDerWaalsContact CB-CE1 3.4Å; C955-F1298 HydrophobicContact CB-CZ 3.75Å; Y1294-F1298 PolarHBondContact OH-N 3.22Å; Y1294-F1298 PolarHBondContact OH-O 3.15Å; F1298-R1303 PolarHBondContact O-NH1 2.9Å
1299	G	53.7	Low	71.9	Confident	20 Å²	20	29.2 Å²	29.2	21%	0.206	17%	0.173	C	C	.	.			trans	83.6	176	-169.9	0	0	0	0	0	113.1	Q935 D1269	Q935-G1299 VanDerWaalsContact NE2-N 3.11Å; D1269-G1299 WeakPolarHBondContact OD2-CA 3.49Å; D1269-G1299 PolarHBondContact OD2-N 3.3Å
1300	N	58.9	Low	71.8	Confident	24 Å²	24	28.9 Å²	28.9	13%	0.128	17%	0.171	C	C	.	.			trans	-115.3	-175.5	166.3	69.3	21.9	0	0	0	108.8	L963 L1266 P1267 D1269 N1302	L963-N1300 VanDerWaalsContact CD2-ND2 3.25Å; L963-N1300 WeakPolarHBondContact CD2-ND2 2.96Å; L1266-N1300 WeakPolarHBondContact CB-ND2 3.37Å; L1266-N1300 HydrophobicContact CD1-CB 4.22Å; P1267-N1300 PolarHBondContact O-ND2 2.72Å; P1267-N1300 PolarHBondContact O-OD1 2.91Å; D1269-N1300 HydrophobicContact CB-CB 4.05Å; D1269-N1300 PolarHBondContact OD2-N 3.27Å; N1300-N1302 VanDerWaalsContact C-N 3.26Å; N1300-N1302 PolarHBondContact O-N 3.4Å; N1300-N1302 PolarHBondContact OD1-N 3.46Å
1301	S	74.1	Confident	71.5	Confident	53 Å²	53	27.1 Å²	27.1	37%	0.371	16%	0.162	S	C	.	.	S	Bend	trans	-71.3	-14.2	-176.3	-49.8	0	0	0	0	114.5	V1263 R1303	V1263-S1301 VanDerWaalsContact CG1-O 3.24Å; V1263-S1301 WeakPolarHBondContact CG1-O 3.4Å; S1301-R1303 PolarHBondContact O-N 3.27Å
1302	N	77.3	Confident	70.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-82.9	49.1	173.3	-162.7	20.6	0	0	0	111.2	L1266 Y1281 Y1282 N1300 F1304	L1266-N1302 HydrophobicContact CB-CB 4.09Å; L1266-N1302 WeakPolarHBondContact O-CB 3.5Å; L1266-N1302 PolarHBondContact O-ND2 3.14Å; Y1281-N1302 WeakPolarHBondContact CB-O 3.25Å; Y1282-N1302 WeakPolarHBondContact CB-OD1 2.97Å; Y1282-N1302 VanDerWaalsContact N-CG 3.35Å; Y1282-N1302 PolarHBondContact N-ND2 3.06Å; Y1282-N1302 VanDerWaalsContact N-ND2 3.15Å; Y1282-N1302 PolarHBondContact N-OD1 2.81Å; Y1282-N1302 PolarHBondContact O-ND2 3.47Å; N1300-N1302 VanDerWaalsContact C-N 3.26Å; N1300-N1302 PolarHBondContact O-N 3.4Å; N1300-N1302 PolarHBondContact OD1-N 3.46Å; N1302-F1304 VanDerWaalsContact OD1-CE2 3.25Å; N1302-F1304 WeakPolarHBondContact OD1-CE2 3.35Å
1303	R	82.8	Confident	70.3	Confident	7 Å²	7	25.1 Å²	25.1	3%	0.026	15%	0.151	C	C	.	.			trans	-134.3	114.3	174.4	179.1	-155.4	62.8	-118.9	-3.5	108.3	D1199 Q1201 R1279 W1280 F1292 Y1294 F1298 S1301	D1199-R1303 IonicContact OD2-CZ 3.67Å; D1199-R1303 IonicContact OD2-NE 2.72Å; D1199-R1303 PolarHBondContact OD2-NE 3.47Å; D1199-R1303 VanDerWaalsContact OD2-NE 3.15Å; D1199-R1303 IonicContact OD2-NH2 3.68Å; D1199-R1303 PolarHBondContact OD2-NH2 2.95Å; Q1201-R1303 PolarHBondContact O-NH2 3.23Å; R1279-R1303 HydrophobicContact CB-CG 3.7Å; R1279-R1303 HydrophobicContact CG-CG 3.8Å; W1280-R1303 WeakPolarHBondContact O-CA 3.2Å; F1292-R1303 HydrophobicContact CE1-CB 4.31Å; F1292-R1303 HydrophobicContact CE1-CG 4.15Å; F1292-R1303 HydrophobicContact CZ-CB 4.02Å; F1292-R1303 HydrophobicContact CZ-CG 3.86Å; Y1294-R1303 HydrophobicContact CD2-CG 4.32Å; Y1294-R1303 HydrophobicContact CG-CG 4.35Å; Y1294-R1303 PolarHBondContact OH-NH1 3.14Å; F1298-R1303 PolarHBondContact O-NH1 2.9Å; S1301-R1303 PolarHBondContact O-N 3.27Å
1304	F	83.9	Confident	70.2	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.009	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-117.3	150	178.8	-52.8	-76.9	0	0	0	110	V1263 R1279 W1280 N1302 E1309 C1310 F1313	V1263-F1304 HydrophobicContact CG1-CZ 4.05Å; R1279-F1304 WeakPolarHBondContact CA-O 3.28Å; R1279-F1304 WeakPolarHBondContact CB-O 3.44Å; R1279-F1304 WeakPolarHBondContact CD-O 3.45Å; W1280-F1304 HydrophobicContact CB-CB 4.43Å; W1280-F1304 PolarHBondContact N-O 2.97Å; W1280-F1304 WeakPolarHBondContact O-CD2 3.43Å; W1280-F1304 PolarHBondContact O-N 3.02Å; N1302-F1304 VanDerWaalsContact OD1-CE2 3.25Å; N1302-F1304 WeakPolarHBondContact OD1-CE2 3.35Å; F1304-E1309 HydrophobicContact CB-CB 4.1Å; F1304-E1309 HydrophobicContact CB-CG 4.12Å; F1304-E1309 HydrophobicContact CD1-CG 3.81Å; F1304-E1309 HydrophobicContact CG-CG 4.39Å; F1304-C1310 HydrophobicContact CB-CB 3.77Å; F1304-C1310 HydrophobicContact CD2-CB 3.28Å; F1304-C1310 VanDerWaalsContact CD2-SG 3.51Å; F1304-C1310 HydrophobicContact CE2-CB 3.99Å; F1304-C1310 VanDerWaalsContact CG-CA 3.44Å; F1304-C1310 HydrophobicContact CG-CB 3.68Å; F1304-F1313 HydrophobicContact CD1-CB 4.33Å; F1304-F1313 HydrophobicContact CE1-CB 3.5Å; F1304-F1313 HydrophobicContact CE1-CD1 4.02Å; F1304-F1313 HydrophobicContact CE1-CD2 4.2Å; F1304-F1313 AromaticContact CE1-CG 3.64Å; F1304-F1313 HydrophobicContact CE1-CG 3.64Å; F1304-F1313 HydrophobicContact CZ-CB 3.71Å; F1304-F1313 AromaticContact CZ-CD1 3.86Å; F1304-F1313 HydrophobicContact CZ-CD1 3.86Å; F1304-F1313 AromaticContact CZ-CG 3.89Å; F1304-F1313 HydrophobicContact CZ-CG 3.89Å
1305	V	76.7	Confident	70.5	Confident	57 Å²	57	22.8 Å²	22.8	35%	0.345	14%	0.135	S	C	.	.	S	Bend	trans	-70.5	-41.6	178.5	-174.9	0	0	0	0	110.2	D1199 E1309	D1199-V1305 HydrophobicContact CB-CG2 3.77Å; V1305-E1309 WeakPolarHBondContact CB-OE2 3.42Å; V1305-E1309 PolarHBondContact N-OE2 2.86Å
1306	T	78	Confident	70.8	Confident	59 Å²	59	23.3 Å²	23.3	36%	0.362	14%	0.14	S	C	.	.	S	Bend	trans	-120.8	161.1	-178.9	72.2	0	0	0	0	112.2	A1308 E1309 C1310	T1306-A1308 PolarHBondContact O-N 3.33Å; T1306-A1308 PolarHBondContact OG1-N 3.21Å; T1306-E1309 PolarHBondContact O-N 2.74Å; T1306-E1309 WeakPolarHBondContact OG1-CB 3.45Å; T1306-E1309 PolarHBondContact OG1-N 3.04Å; T1306-C1310 PolarHBondContact O-N 2.7Å
1307	K	82	Confident	71.2	Confident	43 Å²	43	24.7 Å²	24.7	19%	0.187	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-41.2	169.7	-173.8	-177.9	172.8	-163.1	0	110.5	W1280 C1289 C1310 E1311 T1525	W1280-K1307 VanDerWaalsContact CD1-N 3.29Å; W1280-K1307 HydrophobicContact CD2-CB 3.69Å; W1280-K1307 HydrophobicContact CD2-CG 4.2Å; W1280-K1307 HydrophobicContact CE3-CB 3.84Å; W1280-K1307 HydrophobicContact CE3-CD 4.42Å; W1280-K1307 HydrophobicContact CE3-CG 3.81Å; W1280-K1307 HydrophobicContact CG-CB 4.27Å; W1280-K1307 HydrophobicContact CH2-CB 4.05Å; W1280-K1307 HydrophobicContact CH2-CD 3.91Å; W1280-K1307 HydrophobicContact CH2-CG 4.11Å; W1280-K1307 HydrophobicContact CZ2-CB 3.9Å; W1280-K1307 HydrophobicContact CZ2-CG 4.47Å; W1280-K1307 HydrophobicContact CZ3-CB 4.01Å; W1280-K1307 HydrophobicContact CZ3-CD 3.85Å; W1280-K1307 HydrophobicContact CZ3-CG 3.76Å; C1289-K1307 HydrophobicContact CB-CG 4.39Å; K1307-C1310 WeakPolarHBondContact O-CB 3.14Å; K1307-C1310 PolarHBondContact O-N 3.42Å; K1307-E1311 VanDerWaalsContact CE-CD 3.48Å; K1307-E1311 WeakPolarHBondContact CE-OE1 3.21Å; K1307-E1311 WeakPolarHBondContact CE-OE2 3.05Å; K1307-E1311 HydrophobicContact CG-CG 4.25Å; K1307-E1311 IonicContact NZ-OE1 3.34Å; K1307-E1311 WeakPolarHBondContact O-CB 3.3Å; K1307-E1311 WeakPolarHBondContact O-CG 3.4Å; K1307-E1311 PolarHBondContact O-N 3.12Å; K1307-T1525 HydrophobicContact CD-CG2 3.8Å; K1307-T1525 HydrophobicContact CG-CG2 4.33Å
1308	A	71.8	Confident	71.9	Confident	9 Å²	9	23.8 Å²	23.8	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-48.1	179.2	0	0	0	0	0	112.6	T1306 C1310 E1311 G1312 E1526	T1306-A1308 PolarHBondContact O-N 3.33Å; T1306-A1308 PolarHBondContact OG1-N 3.21Å; A1308-C1310 VanDerWaalsContact C-N 3.25Å; A1308-C1310 PolarHBondContact O-N 3.31Å; A1308-E1311 PolarHBondContact O-N 3.43Å; A1308-E1311 VanDerWaalsContact O-N 3.14Å; A1308-G1312 PolarHBondContact O-N 3.48Å; A1308-E1526 HydrophobicContact CB-CB 3.73Å; A1308-E1526 HydrophobicContact CB-CG 3.96Å; A1308-E1526 WeakPolarHBondContact CB-OE2 3.37Å
1309	E	75.4	Confident	72.7	Confident	34 Å²	34	21.2 Å²	21.2	16%	0.159	13%	0.126	C	C	.	.	H	α-helix	trans	-58.1	-41.2	175.9	-173.1	-166.3	-176.8	0	0	110.7	H1205 F1304 V1305 T1306 F1313	H1205-E1309 IonicContact CE1-OE1 2.69Å; H1205-E1309 PolarHBondContact CE1-OE1 2.85Å; H1205-E1309 IonicContact ND1-OE1 3.14Å; H1205-E1309 PolarHBondContact ND1-OE1 3.44Å; F1304-E1309 HydrophobicContact CB-CB 4.1Å; F1304-E1309 HydrophobicContact CB-CG 4.12Å; F1304-E1309 HydrophobicContact CD1-CG 3.81Å; F1304-E1309 HydrophobicContact CG-CG 4.39Å; V1305-E1309 WeakPolarHBondContact CB-OE2 3.42Å; V1305-E1309 PolarHBondContact N-OE2 2.86Å; T1306-E1309 PolarHBondContact O-N 2.74Å; T1306-E1309 WeakPolarHBondContact OG1-CB 3.45Å; T1306-E1309 PolarHBondContact OG1-N 3.04Å; E1309-F1313 WeakPolarHBondContact O-CB 3.26Å; E1309-F1313 PolarHBondContact O-N 2.83Å
1310	C	81.9	Confident	73.6	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-48.2	173.9	-178.8	0	0	0	0	113.1	W1280 Y1282 C1289 F1304 T1306 K1307 A1308 F1313 C1314	W1280-C1310 HydrophobicContact CB-CB 3.85Å; Y1282-C1310 PolarHBondContact N-SG 2.72Å; Y1282-C1310 VanDerWaalsContact N-SG 3.45Å; C1289-C1310 HydrophobicContact CB-CB 3.69Å; C1289-C1310 WeakPolarHBondContact CB-SG 3.4Å; C1289-C1310 WeakPolarHBondContact SG-CB 3.49Å; C1289-C1310 PolarHBondContact SG-O 3.35Å; C1289-C1310 CovalentContact SG-SG 2.02Å; C1289-C1310 PolarHBondContact SG-SG 3.37Å; F1304-C1310 HydrophobicContact CB-CB 3.77Å; F1304-C1310 HydrophobicContact CD2-CB 3.28Å; F1304-C1310 VanDerWaalsContact CD2-SG 3.51Å; F1304-C1310 HydrophobicContact CE2-CB 3.99Å; F1304-C1310 VanDerWaalsContact CG-CA 3.44Å; F1304-C1310 HydrophobicContact CG-CB 3.68Å; T1306-C1310 PolarHBondContact O-N 2.7Å; K1307-C1310 WeakPolarHBondContact O-CB 3.14Å; K1307-C1310 PolarHBondContact O-N 3.42Å; A1308-C1310 VanDerWaalsContact C-N 3.25Å; A1308-C1310 PolarHBondContact O-N 3.31Å; C1310-F1313 PolarHBondContact O-N 3.25Å; C1310-C1314 VanDerWaalsContact O-CB 3.25Å; C1310-C1314 WeakPolarHBondContact O-CB 3.47Å; C1310-C1314 PolarHBondContact O-N 2.69Å
1311	E	80.8	Confident	74.2	Confident	14 Å²	14	22.7 Å²	22.7	7%	0.065	12%	0.123	C	C	.	.	H	α-helix	trans	-74.6	-37.9	-174.3	-69.2	-175.5	158.3	0	0	111.3	C1289 K1307 A1308 F1313 C1314 M1315 G1316 T1525 A1527	C1289-E1311 HydrophobicContact CB-CG 3.52Å; C1289-E1311 WeakPolarHBondContact SG-CG 3.31Å; C1289-E1311 PolarHBondContact SG-N 2.77Å; C1289-E1311 VanDerWaalsContact SG-N 3.37Å; K1307-E1311 VanDerWaalsContact CE-CD 3.48Å; K1307-E1311 WeakPolarHBondContact CE-OE1 3.21Å; K1307-E1311 WeakPolarHBondContact CE-OE2 3.05Å; K1307-E1311 HydrophobicContact CG-CG 4.25Å; K1307-E1311 IonicContact NZ-OE1 3.34Å; K1307-E1311 WeakPolarHBondContact O-CB 3.3Å; K1307-E1311 WeakPolarHBondContact O-CG 3.4Å; K1307-E1311 PolarHBondContact O-N 3.12Å; A1308-E1311 PolarHBondContact O-N 3.43Å; A1308-E1311 VanDerWaalsContact O-N 3.14Å; E1311-F1313 VanDerWaalsContact C-N 3.32Å; E1311-F1313 PolarHBondContact O-N 3.13Å; E1311-C1314 PolarHBondContact O-N 3.21Å; E1311-M1315 HydrophobicContact CB-CB 4.48Å; E1311-M1315 HydrophobicContact CB-CE 4.42Å; E1311-M1315 HydrophobicContact CB-CG 4.17Å; E1311-M1315 HydrophobicContact CB-SD 3.78Å; E1311-M1315 VanDerWaalsContact CD-SD 3.54Å; E1311-M1315 HydrophobicContact CG-CG 4.18Å; E1311-M1315 HydrophobicContact CG-SD 3.44Å; E1311-M1315 WeakPolarHBondContact CG-SD 2.89Å; E1311-M1315 WeakPolarHBondContact O-CA 3.37Å; E1311-M1315 VanDerWaalsContact O-CB 3.3Å; E1311-M1315 WeakPolarHBondContact O-CB 3.26Å; E1311-M1315 PolarHBondContact O-N 2.81Å; E1311-G1316 PolarHBondContact O-N 2.88Å; E1311-T1525 VanDerWaalsContact OE2-CB 3.3Å; E1311-T1525 WeakPolarHBondContact OE2-CB 3.08Å; E1311-T1525 WeakPolarHBondContact OE2-CG2 3.2Å; E1311-T1525 PolarHBondContact OE2-OG1 3.44Å; E1311-A1527 HydrophobicContact CB-CB 3.21Å; E1311-A1527 HydrophobicContact CG-CB 4.5Å
1312	G	73.3	Confident	73.9	Confident	14 Å²	14	21.2 Å²	21.2	14%	0.144	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-31.2	171.6	0	0	0	0	0	112.5	A1308 A1527	A1308-G1312 PolarHBondContact O-N 3.48Å; G1312-A1527 VanDerWaalsContact N-CB 3.33Å
1313	F	74.9	Confident	73.5	Confident	28 Å²	28	25.9 Å²	25.9	12%	0.123	14%	0.142	C	C	.	.	H	α-helix	trans	-80.3	-30.6	172.8	-154.5	-78	0	0	0	113.8	P1257 P1260 V1263 F1304 E1309 C1310 E1311 K1317	P1257-F1313 HydrophobicContact CG-CE1 4.21Å; P1257-F1313 HydrophobicContact CG-CZ 3.91Å; P1260-F1313 HydrophobicContact CB-CD1 4.42Å; P1260-F1313 HydrophobicContact CB-CE1 3.87Å; P1260-F1313 HydrophobicContact CB-CZ 4.49Å; V1263-F1313 HydrophobicContact CB-CD1 4.4Å; V1263-F1313 HydrophobicContact CB-CE1 3.77Å; V1263-F1313 HydrophobicContact CG1-CD1 4.15Å; V1263-F1313 HydrophobicContact CG1-CE1 3.89Å; V1263-F1313 HydrophobicContact CG2-CE1 3.9Å; V1263-F1313 HydrophobicContact CG2-CZ 4.31Å; F1304-F1313 HydrophobicContact CD1-CB 4.33Å; F1304-F1313 HydrophobicContact CE1-CB 3.5Å; F1304-F1313 HydrophobicContact CE1-CD1 4.02Å; F1304-F1313 HydrophobicContact CE1-CD2 4.2Å; F1304-F1313 AromaticContact CE1-CG 3.64Å; F1304-F1313 HydrophobicContact CE1-CG 3.64Å; F1304-F1313 HydrophobicContact CZ-CB 3.71Å; F1304-F1313 AromaticContact CZ-CD1 3.86Å; F1304-F1313 HydrophobicContact CZ-CD1 3.86Å; F1304-F1313 AromaticContact CZ-CG 3.89Å; F1304-F1313 HydrophobicContact CZ-CG 3.89Å; E1309-F1313 WeakPolarHBondContact O-CB 3.26Å; E1309-F1313 PolarHBondContact O-N 2.83Å; C1310-F1313 PolarHBondContact O-N 3.25Å; E1311-F1313 VanDerWaalsContact C-N 3.32Å; E1311-F1313 PolarHBondContact O-N 3.13Å; F1313-K1317 WeakPolarHBondContact O-CD 3.18Å
1314	C	76.1	Confident	72.7	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-123.7	-29.5	-169.1	-70.2	0	0	0	0	116.9	C1264 Y1282 C1310 E1311 D1318	C1264-C1314 HydrophobicContact CB-CB 3.71Å; C1264-C1314 WeakPolarHBondContact CB-SG 3.49Å; C1264-C1314 WeakPolarHBondContact SG-CA 3.43Å; C1264-C1314 WeakPolarHBondContact SG-CB 3.45Å; C1264-C1314 CovalentContact SG-SG 2.03Å; C1264-C1314 PolarHBondContact SG-SG 2.85Å; Y1282-C1314 HydrophobicContact CD1-CB 4.2Å; Y1282-C1314 HydrophobicContact CD2-CB 3.34Å; Y1282-C1314 HydrophobicContact CE2-CB 4.06Å; Y1282-C1314 HydrophobicContact CG-CB 3.42Å; Y1282-C1314 VanDerWaalsContact CG-CB 3.42Å; C1310-C1314 VanDerWaalsContact O-CB 3.25Å; C1310-C1314 WeakPolarHBondContact O-CB 3.47Å; C1310-C1314 PolarHBondContact O-N 2.69Å; E1311-C1314 PolarHBondContact O-N 3.21Å; C1314-D1318 WeakPolarHBondContact O-CA 3.36Å; C1314-D1318 VanDerWaalsContact O-CB 3.22Å; C1314-D1318 WeakPolarHBondContact O-CB 3.45Å; C1314-D1318 PolarHBondContact O-N 3.17Å
1315	M	73	Confident	71.6	Confident	21 Å²	21	27.6 Å²	27.6	10%	0.103	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-52.6	174.3	-70.5	179.7	20.3	0	0	111.2	Y1282 E1311 K1317 D1318 R1321	Y1282-M1315 HydrophobicContact CE2-CG 3.92Å; E1311-M1315 HydrophobicContact CB-CB 4.48Å; E1311-M1315 HydrophobicContact CB-CE 4.42Å; E1311-M1315 HydrophobicContact CB-CG 4.17Å; E1311-M1315 HydrophobicContact CB-SD 3.78Å; E1311-M1315 VanDerWaalsContact CD-SD 3.54Å; E1311-M1315 HydrophobicContact CG-CG 4.18Å; E1311-M1315 HydrophobicContact CG-SD 3.44Å; E1311-M1315 WeakPolarHBondContact CG-SD 2.89Å; E1311-M1315 WeakPolarHBondContact O-CA 3.37Å; E1311-M1315 VanDerWaalsContact O-CB 3.3Å; E1311-M1315 WeakPolarHBondContact O-CB 3.26Å; E1311-M1315 PolarHBondContact O-N 2.81Å; M1315-K1317 PolarHBondContact O-N 3.43Å; M1315-D1318 PolarHBondContact O-N 3.14Å; M1315-D1318 VanDerWaalsContact O-N 3.13Å; M1315-R1321 PolarHBondContact SD-NH1 3.17Å
1316	G	60.6	Low	70.8	Confident	10 Å²	10	29.5 Å²	29.5	10%	0.103	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	3.4	177.4	0	0	0	0	0	116	E1311 E1531 R1538	E1311-G1316 PolarHBondContact O-N 2.88Å; G1316-E1531 WeakPolarHBondContact CA-OE1 3.26Å; G1316-R1538 PolarHBondContact O-NH1 3.27Å
1317	K	59.3	Low	69.9	Low	41 Å²	41	27.4 Å²	27.4	18%	0.178	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-7.5	178.3	-66.7	140.4	162.4	179.9	0	113.5	P1260 F1313 M1315 V1319	P1260-K1317 HydrophobicContact CB-CB 3.82Å; P1260-K1317 HydrophobicContact CB-CD 3.59Å; P1260-K1317 HydrophobicContact CB-CG 3.92Å; P1260-K1317 HydrophobicContact CG-CB 4.16Å; P1260-K1317 HydrophobicContact CG-CD 3.71Å; P1260-K1317 HydrophobicContact CG-CG 3.83Å; F1313-K1317 WeakPolarHBondContact O-CD 3.18Å; M1315-K1317 PolarHBondContact O-N 3.43Å; K1317-V1319 PolarHBondContact O-N 3.36Å
1318	D	63.7	Low	68.9	Low	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.132	C	C	.	.			trans	-70.6	97.6	167	175.8	29.3	0	0	0	108.2	Y1282 R1287 C1314 M1315 C1320 R1321 L1322	Y1282-D1318 HydrophobicContact CE1-CB 4.3Å; Y1282-D1318 WeakPolarHBondContact OH-CB 3.33Å; Y1282-D1318 PolarHBondContact OH-OD2 3.13Å; R1287-D1318 IonicContact CZ-OD2 2.69Å; R1287-D1318 IonicContact NE-OD2 3.17Å; R1287-D1318 IonicContact NH1-OD2 3.78Å; R1287-D1318 PolarHBondContact NH1-OD2 2.93Å; R1287-D1318 VanDerWaalsContact NH1-OD2 3.1Å; C1314-D1318 WeakPolarHBondContact O-CA 3.36Å; C1314-D1318 VanDerWaalsContact O-CB 3.22Å; C1314-D1318 WeakPolarHBondContact O-CB 3.45Å; C1314-D1318 PolarHBondContact O-N 3.17Å; M1315-D1318 PolarHBondContact O-N 3.14Å; M1315-D1318 VanDerWaalsContact O-N 3.13Å; D1318-C1320 PolarHBondContact O-N 2.9Å; D1318-C1320 VanDerWaalsContact O-N 3.08Å; D1318-C1320 WeakPolarHBondContact OD1-CA 3.29Å; D1318-C1320 WeakPolarHBondContact OD1-CB 3.25Å; D1318-C1320 PolarHBondContact OD1-N 2.81Å; D1318-C1320 PolarHBondContact OD1-SG 2.9Å; D1318-R1321 HydrophobicContact CB-CB 4.06Å; D1318-R1321 PolarHBondContact O-N 3.08Å; D1318-R1321 WeakPolarHBondContact OD2-CB 3.34Å; D1318-R1321 PolarHBondContact OD2-N 2.59Å; D1318-L1322 PolarHBondContact O-N 2.96Å
1319	V	68.1	Low	68.3	Low	8 Å²	8	25 Å²	25	5%	0.048	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-34.3	172.3	179.2	0	0	0	0	110.7	H1259 I1261 K1317 R1321 G1358 N1359 F1361	H1259-V1319 WeakPolarHBondContact CE1-CG2 3.43Å; I1261-V1319 HydrophobicContact CD1-CB 3.58Å; I1261-V1319 HydrophobicContact CD1-CG2 3.4Å; I1261-V1319 VanDerWaalsContact CD1-CG2 3.4Å; K1317-V1319 PolarHBondContact O-N 3.36Å; V1319-R1321 PolarHBondContact O-N 2.83Å; V1319-G1358 VanDerWaalsContact CG1-O 3.23Å; V1319-G1358 WeakPolarHBondContact CG1-O 3.47Å; V1319-N1359 WeakPolarHBondContact O-CA 3.27Å; V1319-N1359 WeakPolarHBondContact O-CB 3.38Å; V1319-N1359 PolarHBondContact O-N 2.74Å; V1319-N1359 PolarHBondContact O-OD1 3.41Å; V1319-F1361 HydrophobicContact CB-CE1 4Å; V1319-F1361 HydrophobicContact CB-CZ 3.69Å; V1319-F1361 HydrophobicContact CG1-CD1 4.43Å; V1319-F1361 HydrophobicContact CG1-CE1 3.47Å; V1319-F1361 VanDerWaalsContact CG1-CE1 3.47Å; V1319-F1361 HydrophobicContact CG1-CE2 3.9Å; V1319-F1361 HydrophobicContact CG1-CZ 3.16Å
1320	C	73.4	Confident	67.6	Low	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.3	-179.7	-45.6	0	0	0	0	114.9	R1287 D1318 Y1339 T1370 C1371	R1287-C1320 PolarHBondContact NH1-O 3Å; D1318-C1320 PolarHBondContact O-N 2.9Å; D1318-C1320 VanDerWaalsContact O-N 3.08Å; D1318-C1320 WeakPolarHBondContact OD1-CA 3.29Å; D1318-C1320 WeakPolarHBondContact OD1-CB 3.25Å; D1318-C1320 PolarHBondContact OD1-N 2.81Å; D1318-C1320 PolarHBondContact OD1-SG 2.9Å; C1320-Y1339 HydrophobicContact CB-CD1 4.48Å; C1320-Y1339 HydrophobicContact CB-CG 4.28Å; C1320-Y1339 WeakPolarHBondContact O-CD1 3.43Å; C1320-T1370 VanDerWaalsContact SG-C 3.56Å; C1320-T1370 VanDerWaalsContact SG-CG2 3.53Å; C1320-T1370 PolarHBondContact SG-O 3.33Å; C1320-T1370 VanDerWaalsContact SG-O 3.37Å; C1320-C1371 HydrophobicContact CB-CB 3.66Å; C1320-C1371 WeakPolarHBondContact CB-SG 3.36Å; C1320-C1371 WeakPolarHBondContact SG-CA 2.88Å; C1320-C1371 WeakPolarHBondContact SG-CB 3.21Å; C1320-C1371 CovalentContact SG-SG 2.02Å; C1320-C1371 PolarHBondContact SG-SG 2.87Å
1321	R	71.1	Confident	66.7	Low	76 Å²	76	23.7 Å²	23.7	29%	0.287	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-29.9	175.4	-110.8	-164.5	171.5	-175.5	7.8	112.8	R1287 M1315 D1318 V1319	R1287-R1321 HydrophobicContact CB-CG 4.08Å; R1287-R1321 WeakPolarHBondContact O-CD 3.25Å; R1287-R1321 PolarHBondContact O-NE 3.23Å; R1287-R1321 PolarHBondContact O-NH1 2.74Å; R1287-R1321 VanDerWaalsContact O-NH1 3.14Å; R1287-R1321 PolarHBondContact O-NH2 3.26Å; M1315-R1321 PolarHBondContact SD-NH1 3.17Å; D1318-R1321 HydrophobicContact CB-CB 4.06Å; D1318-R1321 PolarHBondContact O-N 3.08Å; D1318-R1321 WeakPolarHBondContact OD2-CB 3.34Å; D1318-R1321 PolarHBondContact OD2-N 2.59Å; V1319-R1321 PolarHBondContact O-N 2.83Å
1322	L	68.9	Low	65.4	Low	22 Å²	22	23 Å²	23	12%	0.115	12%	0.12	C	C	.	.	S	Bend	trans	-48.8	144.4	168.7	-72.5	173	0	0	0	108.8	D1318 L1324 N1359	D1318-L1322 PolarHBondContact O-N 2.96Å; L1322-L1324 PolarHBondContact O-N 2.93Å; L1322-N1359 HydrophobicContact CB-CB 4.43Å; L1322-N1359 VanDerWaalsContact O-CB 3.25Å; L1322-N1359 WeakPolarHBondContact O-CB 3.17Å; L1322-N1359 PolarHBondContact O-ND2 3.42Å
1323	P	67.9	Low	64.7	Low	98 Å²	98	24 Å²	24	64%	0.636	12%	0.119	S	C	*	.			trans	-54.8	142.1	176	24.3	-33.8	0	0	0	108.4	Q1325 N1359	P1323-Q1325 PolarHBondContact O-N 3.46Å; P1323-N1359 WeakPolarHBondContact O-CB 3.43Å
1324	L	65.3	Low	64.1	Low	33 Å²	33	22.9 Å²	22.9	17%	0.173	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-32.6	121.4	157.4	165.9	55.4	0	0	0	106.9	L1322 N1327 Y1338 F1349 K1589	L1322-L1324 PolarHBondContact O-N 2.93Å; L1324-N1327 HydrophobicContact CD1-CB 4.02Å; L1324-N1327 HydrophobicContact CD2-CB 4.18Å; L1324-N1327 HydrophobicContact CG-CB 4.24Å; L1324-Y1338 HydrophobicContact CB-CD2 3.74Å; L1324-Y1338 HydrophobicContact CB-CE2 3.92Å; L1324-Y1338 HydrophobicContact CB-CG 4.37Å; L1324-Y1338 HydrophobicContact CD1-CD1 3.85Å; L1324-Y1338 HydrophobicContact CD1-CD2 3.87Å; L1324-Y1338 HydrophobicContact CD1-CE1 4.21Å; L1324-Y1338 HydrophobicContact CD1-CE2 4.29Å; L1324-Y1338 HydrophobicContact CD1-CG 3.62Å; L1324-Y1338 HydrophobicContact CD2-CD2 4.33Å; L1324-Y1338 HydrophobicContact CD2-CE1 4.2Å; L1324-Y1338 HydrophobicContact CD2-CE2 3.93Å; L1324-Y1338 HydrophobicContact CG-CD2 4.17Å; L1324-Y1338 HydrophobicContact CG-CE2 4.26Å; L1324-Y1338 HydrophobicContact CG-CG 4.41Å; L1324-F1349 HydrophobicContact CD1-CB 3.92Å; L1324-F1349 HydrophobicContact CD1-CD1 4.43Å; L1324-F1349 HydrophobicContact CD1-CD2 3.27Å; L1324-F1349 HydrophobicContact CD1-CE2 3.86Å; L1324-F1349 HydrophobicContact CD1-CG 3.6Å; L1324-K1589 WeakPolarHBondContact O-CE 3.42Å; L1324-K1589 PolarHBondContact O-NZ 3.45Å
1325	Q	61.3	Low	64	Low	11 Å²	11	25.8 Å²	25.8	5%	0.051	13%	0.128	C	C	.	.			trans	-59.7	-172.6	-179	-70.7	-171.7	-36.1	0	0	110.3	P1323 N1327 F1349 L1355 H1357 G1358 N1360 K1589	P1323-Q1325 PolarHBondContact O-N 3.46Å; Q1325-N1327 VanDerWaalsContact C-N 3.26Å; Q1325-N1327 PolarHBondContact O-N 3.43Å; Q1325-F1349 HydrophobicContact CB-CE2 4.37Å; Q1325-L1355 VanDerWaalsContact NE2-CB 3.32Å; Q1325-L1355 PolarHBondContact NE2-O 2.95Å; Q1325-L1355 PolarHBondContact OE1-O 3.37Å; Q1325-L1355 VanDerWaalsContact OE1-O 3.11Å; Q1325-H1357 PolarHBondContact NE2-O 2.87Å; Q1325-G1358 VanDerWaalsContact NE2-CA 3.29Å; Q1325-N1360 VanDerWaalsContact OE1-CB 3.25Å; Q1325-N1360 PolarHBondContact OE1-ND2 3.39Å; Q1325-K1589 WeakPolarHBondContact O-CE 3.2Å; Q1325-K1589 PolarHBondContact O-NZ 2.97Å
1326	K	59.2	Low	64.4	Low	98 Å²	98	27.6 Å²	27.6	43%	0.426	13%	0.134	S	C	.	.			trans	-58.5	107.1	159.8	-82.2	-150.3	179.2	-165.4	0	106.7	T1352 L1354 D1588 K1589	K1326-T1352 HydrophobicContact CB-CG2 3.81Å; K1326-T1352 WeakPolarHBondContact CB-OG1 3.44Å; K1326-T1352 WeakPolarHBondContact O-CB 3.17Å; K1326-T1352 WeakPolarHBondContact O-CG2 3.33Å; K1326-T1352 PolarHBondContact O-N 3.03Å; K1326-T1352 PolarHBondContact O-OG1 3.18Å; K1326-L1354 HydrophobicContact CB-CD1 4.39Å; K1326-L1354 HydrophobicContact CD-CD1 3.94Å; K1326-D1588 IonicContact NZ-OD1 2.72Å; K1326-D1588 PolarHBondContact NZ-OD1 2.73Å; K1326-K1589 HydrophobicContact CB-CB 4.12Å; K1326-K1589 HydrophobicContact CD-CB 4.23Å; K1326-K1589 HydrophobicContact CG-CB 3.89Å; K1326-K1589 HydrophobicContact CG-CD 4.38Å
1327	N	60.3	Low	65.6	Low	15 Å²	15	28.3 Å²	28.3	8%	0.08	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-68.4	146.1	160.1	-166.7	-2.5	0	0	0	105	L1324 Q1325 F1349 R1350 D1588 K1589 N1592	L1324-N1327 HydrophobicContact CD1-CB 4.02Å; L1324-N1327 HydrophobicContact CD2-CB 4.18Å; L1324-N1327 HydrophobicContact CG-CB 4.24Å; Q1325-N1327 VanDerWaalsContact C-N 3.26Å; Q1325-N1327 PolarHBondContact O-N 3.43Å; N1327-F1349 HydrophobicContact CB-CD2 3.97Å; N1327-F1349 WeakPolarHBondContact OD1-CB 2.98Å; N1327-R1350 CarbonylContact C-O 2.62Å; N1327-R1350 VanDerWaalsContact CA-O 3.27Å; N1327-R1350 WeakPolarHBondContact CA-O 3.41Å; N1327-R1350 PolarHBondContact OD1-N 2.87Å; N1327-R1350 PolarHBondContact OD1-O 3.27Å; N1327-D1588 CarbonylContact O-C 3.1Å; N1327-K1589 HydrophobicContact CB-CG 4.11Å; N1327-K1589 WeakPolarHBondContact O-CA 3.08Å; N1327-K1589 WeakPolarHBondContact O-CB 3.09Å; N1327-K1589 PolarHBondContact O-N 2.76Å; N1327-N1592 HydrophobicContact CB-CB 3.79Å; N1327-N1592 PolarHBondContact ND2-ND2 3.14Å; N1327-N1592 PolarHBondContact OD1-ND2 3.4Å
1328	S	60.3	Low	66.9	Low	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.			trans	-146.8	119.8	162.1	-169.6	0	0	0	0	110.9	D1330 R1350 I1586 T1587 D1588	S1328-D1330 PolarHBondContact O-N 3.09Å; S1328-R1350 PolarHBondContact N-O 3.15Å; S1328-R1350 WeakPolarHBondContact O-CB 3.21Å; S1328-I1586 PolarHBondContact OG-O 2.93Å; S1328-T1587 VanDerWaalsContact CB-C 3.41Å; S1328-T1587 PolarHBondContact OG-N 2.85Å; S1328-D1588 WeakPolarHBondContact CA-O 3.39Å; S1328-D1588 WeakPolarHBondContact CB-O 3.22Å; S1328-D1588 PolarHBondContact OG-N 2.76Å; S1328-D1588 PolarHBondContact OG-O 3.36Å
1329	T	59.9	Low	67.8	Low	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.			trans	6.7	-70.5	155.2	53.7	0	0	0	0	117.2	R1350 T1413 N1414 H1591 N1592 I1594 F1595	T1329-R1350 VanDerWaalsContact O-CD 3.31Å; T1329-R1350 WeakPolarHBondContact O-CD 3.33Å; T1329-T1413 HydrophobicContact CG2-CG2 3.17Å; T1329-N1414 PolarHBondContact OG1-ND2 2.68Å; T1329-N1414 PolarHBondContact OG1-OD1 3.29Å; T1329-H1591 HydrophobicContact CG2-CB 3.65Å; T1329-H1591 WeakPolarHBondContact CG2-O 3.46Å; T1329-N1592 HydrophobicContact CG2-CB 3.97Å; T1329-N1592 VanDerWaalsContact CG2-N 3.31Å; T1329-N1592 VanDerWaalsContact N-CB 3.26Å; T1329-N1592 VanDerWaalsContact N-CG 3.27Å; T1329-N1592 PolarHBondContact N-ND2 3.16Å; T1329-I1594 HydrophobicContact CG2-CB 4.42Å; T1329-F1595 HydrophobicContact CG2-CB 4Å; T1329-F1595 WeakPolarHBondContact O-CB 3.46Å; T1329-F1595 WeakPolarHBondContact O-CD1 3.36Å; T1329-F1595 WeakPolarHBondContact O-CG 3.15Å
1330	D	60.1	Low	68.3	Low	6 Å²	6	28.8 Å²	28.8	3%	0.032	14%	0.135	C	C	.	.			trans	-60.8	131.7	-140.9	-154.4	20.1	0	0	0	105.8	S1328 S1332 Y1333 N1414 I1586 W1626	S1328-D1330 PolarHBondContact O-N 3.09Å; D1330-S1332 WeakPolarHBondContact CB-OG 3.4Å; D1330-S1332 VanDerWaalsContact CG-CB 3.46Å; D1330-S1332 PolarHBondContact O-N 3.31Å; D1330-S1332 WeakPolarHBondContact OD2-CB 3.43Å; D1330-S1332 PolarHBondContact OD2-OG 2.87Å; D1330-Y1333 PolarHBondContact O-N 2.8Å; D1330-N1414 WeakPolarHBondContact CB-ND2 3.34Å; D1330-N1414 PolarHBondContact OD1-ND2 3.39Å; D1330-N1414 PolarHBondContact OD2-ND2 3.21Å; D1330-I1586 HydrophobicContact CB-CG1 4.08Å; D1330-I1586 WeakPolarHBondContact CB-O 3.38Å; D1330-I1586 WeakPolarHBondContact OD2-CG1 3.37Å; D1330-W1626 WeakPolarHBondContact OD1-CH2 3.43Å; D1330-W1626 WeakPolarHBondContact OD1-CZ2 3.48Å
1331	P	62.6	Low	68	Low	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-32.9	170.1	22.5	-32.2	0	0	0	108.1	Y1333 R1350 Y1583 F1595 W1626 I1659	P1331-Y1333 VanDerWaalsContact C-N 3.3Å; P1331-Y1333 PolarHBondContact O-N 2.94Å; P1331-Y1333 VanDerWaalsContact O-N 3.13Å; P1331-R1350 PolarHBondContact O-NH1 3.34Å; P1331-Y1583 HydrophobicContact CB-CE2 3.95Å; P1331-Y1583 WeakPolarHBondContact O-CB 3.17Å; P1331-Y1583 WeakPolarHBondContact O-CD1 3.48Å; P1331-Y1583 WeakPolarHBondContact O-CD2 3.28Å; P1331-Y1583 WeakPolarHBondContact O-CE1 3.3Å; P1331-Y1583 WeakPolarHBondContact O-CE2 3.27Å; P1331-F1595 HydrophobicContact CB-CE2 4.11Å; P1331-F1595 HydrophobicContact CB-CZ 3.88Å; P1331-F1595 HydrophobicContact CG-CE2 4.03Å; P1331-F1595 HydrophobicContact CG-CZ 4.32Å; P1331-W1626 HydrophobicContact CG-CD2 4.21Å; P1331-W1626 HydrophobicContact CG-CE3 3.44Å; P1331-W1626 VanDerWaalsContact CG-CE3 3.44Å; P1331-W1626 HydrophobicContact CG-CH2 3.67Å; P1331-W1626 HydrophobicContact CG-CZ2 4.42Å; P1331-W1626 HydrophobicContact CG-CZ3 3.12Å; P1331-I1659 HydrophobicContact CB-CD1 4.01Å; P1331-I1659 HydrophobicContact CG-CD1 4.42Å; P1331-I1659 HydrophobicContact CG-CG2 4.17Å
1332	S	54.8	Low	67.9	Low	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.5	-41.9	168.2	93	0	0	0	0	116.7	D1330 Y1583 E1584 M1585 I1586 H1653 E1655	D1330-S1332 WeakPolarHBondContact CB-OG 3.4Å; D1330-S1332 VanDerWaalsContact CG-CB 3.46Å; D1330-S1332 PolarHBondContact O-N 3.31Å; D1330-S1332 WeakPolarHBondContact OD2-CB 3.43Å; D1330-S1332 PolarHBondContact OD2-OG 2.87Å; S1332-Y1583 CarbonylContact O-C 3.53Å; S1332-Y1583 WeakPolarHBondContact O-CA 3.03Å; S1332-Y1583 WeakPolarHBondContact O-CB 3.43Å; S1332-Y1583 VanDerWaalsContact O-CD1 3.3Å; S1332-Y1583 WeakPolarHBondContact O-CD1 2.83Å; S1332-E1584 CarbonylContact O-C 3.55Å; S1332-E1584 WeakPolarHBondContact O-CA 3.34Å; S1332-E1584 PolarHBondContact O-N 3.16Å; S1332-M1585 VanDerWaalsContact C-N 3.27Å; S1332-M1585 PolarHBondContact O-N 3.09Å; S1332-M1585 WeakPolarHBondContact OG-CB 3.4Å; S1332-I1586 PolarHBondContact OG-N 2.79Å; S1332-H1653 WeakPolarHBondContact CB-CE1 3.32Å; S1332-H1653 WeakPolarHBondContact CB-NE2 3.31Å; S1332-E1655 WeakPolarHBondContact CA-OE2 3.46Å; S1332-E1655 WeakPolarHBondContact CB-OE2 3.17Å
1333	Y	57.3	Low	68.1	Low	35 Å²	35	40.7 Å²	40.7	14%	0.137	20%	0.199	C	C	.	.	S	Bend	trans	-92.9	151.3	-175.7	-110.8	-23.6	0	0	0	112.4	D1330 P1331 E1335 R1350 F1351 T1352 G1353 E1584 M1585 I1586 T1587	D1330-Y1333 PolarHBondContact O-N 2.8Å; P1331-Y1333 VanDerWaalsContact C-N 3.3Å; P1331-Y1333 PolarHBondContact O-N 2.94Å; P1331-Y1333 VanDerWaalsContact O-N 3.13Å; Y1333-E1335 PolarHBondContact O-N 2.9Å; Y1333-R1350 PolarHBondContact O-NH1 2.98Å; Y1333-F1351 WeakPolarHBondContact CB-O 3.17Å; Y1333-F1351 WeakPolarHBondContact CD1-O 3.07Å; Y1333-F1351 VanDerWaalsContact CD2-O 3.25Å; Y1333-F1351 WeakPolarHBondContact CD2-O 3.42Å; Y1333-T1352 VanDerWaalsContact CD2-CA 3.41Å; Y1333-T1352 HydrophobicContact CD2-CG2 4.44Å; Y1333-T1352 WeakPolarHBondContact CE2-O 3.32Å; Y1333-T1352 VanDerWaalsContact CZ-O 3.24Å; Y1333-T1352 PolarHBondContact OH-O 3.17Å; Y1333-G1353 WeakPolarHBondContact OH-CA 3.21Å; Y1333-E1584 WeakPolarHBondContact CD1-O 3.25Å; Y1333-E1584 WeakPolarHBondContact CE1-O 3.44Å; Y1333-M1585 VanDerWaalsContact CD1-CA 3.47Å; Y1333-M1585 WeakPolarHBondContact CE1-O 3.02Å; Y1333-M1585 VanDerWaalsContact CE2-C 3.42Å; Y1333-M1585 VanDerWaalsContact CE2-O 3.27Å; Y1333-M1585 WeakPolarHBondContact CE2-O 3.25Å; Y1333-M1585 VanDerWaalsContact CG-C 3.45Å; Y1333-M1585 PolarHBondContact OH-O 2.87Å; Y1333-I1586 WeakPolarHBondContact CD2-O 3.13Å; Y1333-I1586 VanDerWaalsContact CE2-C 3.49Å; Y1333-I1586 VanDerWaalsContact CE2-N 3.33Å; Y1333-T1587 HydrophobicContact CE2-CG2 3.81Å
1334	P	64.1	Low	68.2	Low	4 Å²	4	43.4 Å²	43.4	3%	0.026	20%	0.201	C	C	.	.			trans	-61.5	128.9	-164.6	21.6	-32.1	0	0	0	111.3	R1336 R1350 F1351 Y1583 E1584	P1334-R1336 HydrophobicContact CB-CG 4.4Å; P1334-R1336 VanDerWaalsContact CG-CD 3.49Å; P1334-R1336 VanDerWaalsContact CG-NE 3.33Å; P1334-R1336 PolarHBondContact O-N 2.95Å; P1334-R1350 CarbonylContact O-C 2.85Å; P1334-R1350 VanDerWaalsContact O-CA 3.25Å; P1334-R1350 WeakPolarHBondContact O-CA 3.18Å; P1334-F1351 WeakPolarHBondContact CD-O 3.34Å; P1334-F1351 HydrophobicContact CG-CB 4.13Å; P1334-F1351 HydrophobicContact CG-CD1 3.94Å; P1334-F1351 PolarHBondContact O-N 2.83Å; P1334-Y1583 WeakPolarHBondContact CA-O 3.31Å; P1334-Y1583 WeakPolarHBondContact CB-O 3.31Å; P1334-E1584 VanDerWaalsContact CD-N 3.34Å; P1334-E1584 WeakPolarHBondContact CD-OE1 3.2Å; P1334-E1584 WeakPolarHBondContact CG-OE1 3.38Å
1335	E	73.6	Confident	68.9	Low	61 Å²	61	46.7 Å²	46.7	29%	0.285	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	83.4	166.4	-166.5	170.1	109	0	0	109.2	Y1333 F1337 P1348 R1350	Y1333-E1335 PolarHBondContact O-N 2.9Å; E1335-F1337 HydrophobicContact CG-CE2 4.22Å; E1335-F1337 HydrophobicContact CG-CZ 4.3Å; E1335-P1348 HydrophobicContact CG-CB 3.97Å; E1335-R1350 HydrophobicContact CB-CG 4.34Å; E1335-R1350 IonicContact OE2-CZ 3.12Å; E1335-R1350 IonicContact OE2-NE 2.7Å; E1335-R1350 PolarHBondContact OE2-NE 2.82Å; E1335-R1350 IonicContact OE2-NH2 3.14Å; E1335-R1350 PolarHBondContact OE2-NH2 3.3Å
1336	R	80.6	Confident	70	Confident	60 Å²	60	46.8 Å²	46.8	23%	0.226	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	178.8	163.9	-81	127.4	179.3	-91.2	9.8	108.5	P1334 F1349 F1351 N1360 F1361	P1334-R1336 HydrophobicContact CB-CG 4.4Å; P1334-R1336 VanDerWaalsContact CG-CD 3.49Å; P1334-R1336 VanDerWaalsContact CG-NE 3.33Å; P1334-R1336 PolarHBondContact O-N 2.95Å; R1336-F1349 CarbonylContact C-O 3.13Å; R1336-F1349 VanDerWaalsContact C-O 3.3Å; R1336-F1349 HydrophobicContact CB-CD1 4.13Å; R1336-F1349 HydrophobicContact CB-CE1 3.49Å; R1336-F1349 VanDerWaalsContact CB-CE1 3.49Å; R1336-F1349 HydrophobicContact CB-CZ 4.12Å; R1336-F1349 PolarHBondContact N-O 3.29Å; R1336-F1349 CarbonylContact O-C 3.59Å; R1336-F1349 PolarHBondContact O-N 2.78Å; R1336-F1351 HydrophobicContact CB-CB 4.24Å; R1336-F1351 HydrophobicContact CG-CB 4.43Å; R1336-N1360 WeakPolarHBondContact CB-OD1 3.17Å; R1336-N1360 WeakPolarHBondContact CD-OD1 3.18Å; R1336-N1360 VanDerWaalsContact CG-OD1 3.24Å; R1336-N1360 WeakPolarHBondContact CG-OD1 3.47Å; R1336-N1360 PolarHBondContact NH1-ND2 3.01Å; R1336-N1360 PolarHBondContact NH1-OD1 2.03Å; R1336-F1361 CarbonylContact C-O 3.6Å; R1336-F1361 WeakPolarHBondContact CA-O 3.37Å; R1336-F1361 WeakPolarHBondContact CB-O 3.27Å; R1336-F1361 WeakPolarHBondContact CG-O 3.14Å
1337	F	86.8	Confident	71.2	Confident	24 Å²	24	43.7 Å²	43.7	11%	0.105	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.8	180	-69.5	-101.1	0	0	0	108	E1335 L1347 P1348 F1349 N1360 F1361 L1364 C1367	E1335-F1337 HydrophobicContact CG-CE2 4.22Å; E1335-F1337 HydrophobicContact CG-CZ 4.3Å; F1337-L1347 VanDerWaalsContact CA-O 3.31Å; F1337-L1347 WeakPolarHBondContact CA-O 3.32Å; F1337-P1348 HydrophobicContact CD1-CB 4.2Å; F1337-P1348 HydrophobicContact CE1-CB 3.7Å; F1337-P1348 HydrophobicContact CE1-CG 4.39Å; F1337-P1348 HydrophobicContact CZ-CB 4.04Å; F1337-F1349 VanDerWaalsContact C-CD1 3.44Å; F1337-F1349 VanDerWaalsContact O-CE1 3.31Å; F1337-F1349 WeakPolarHBondContact O-CE1 2.99Å; F1337-N1360 CarbonylContact O-C 2.85Å; F1337-F1361 PolarHBondContact N-O 3.21Å; F1337-F1361 WeakPolarHBondContact O-CD2 3Å; F1337-F1361 PolarHBondContact O-N 2.98Å; F1337-L1364 HydrophobicContact CD1-CB 3.85Å; F1337-L1364 HydrophobicContact CD1-CD1 3.62Å; F1337-L1364 HydrophobicContact CD1-CG 4.29Å; F1337-L1364 HydrophobicContact CD2-CB 4.16Å; F1337-L1364 HydrophobicContact CE1-CB 3.7Å; F1337-L1364 HydrophobicContact CE1-CD1 3.9Å; F1337-L1364 HydrophobicContact CE1-CG 4.23Å; F1337-L1364 HydrophobicContact CE2-CB 4.05Å; F1337-L1364 HydrophobicContact CG-CB 4.09Å; F1337-L1364 HydrophobicContact CG-CD1 4.35Å; F1337-L1364 HydrophobicContact CZ-CB 3.83Å; F1337-C1367 HydrophobicContact CB-CB 3.38Å
1338	Y	85.5	Confident	72.3	Confident	30 Å²	30	44.6 Å²	44.6	12%	0.118	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.6	175	82.1	-75.7	0	0	0	108.6	L1324 D1340 C1346 L1347 F1349 N1359 C1367	L1324-Y1338 HydrophobicContact CB-CD2 3.74Å; L1324-Y1338 HydrophobicContact CB-CE2 3.92Å; L1324-Y1338 HydrophobicContact CB-CG 4.37Å; L1324-Y1338 HydrophobicContact CD1-CD1 3.85Å; L1324-Y1338 HydrophobicContact CD1-CD2 3.87Å; L1324-Y1338 HydrophobicContact CD1-CE1 4.21Å; L1324-Y1338 HydrophobicContact CD1-CE2 4.29Å; L1324-Y1338 HydrophobicContact CD1-CG 3.62Å; L1324-Y1338 HydrophobicContact CD2-CD2 4.33Å; L1324-Y1338 HydrophobicContact CD2-CE1 4.2Å; L1324-Y1338 HydrophobicContact CD2-CE2 3.93Å; L1324-Y1338 HydrophobicContact CG-CD2 4.17Å; L1324-Y1338 HydrophobicContact CG-CE2 4.26Å; L1324-Y1338 HydrophobicContact CG-CG 4.41Å; Y1338-D1340 HydrophobicContact CE2-CB 3.87Å; Y1338-C1346 CarbonylContact O-C 3.56Å; Y1338-C1346 VanDerWaalsContact O-CA 3.28Å; Y1338-C1346 WeakPolarHBondContact O-CA 3.33Å; Y1338-L1347 HydrophobicContact CD1-CB 4.12Å; Y1338-L1347 VanDerWaalsContact CD1-O 3.32Å; Y1338-L1347 WeakPolarHBondContact CD1-O 2.97Å; Y1338-L1347 HydrophobicContact CE1-CB 3.57Å; Y1338-L1347 HydrophobicContact CE1-CD1 4.46Å; Y1338-L1347 PolarHBondContact N-O 2.93Å; Y1338-L1347 PolarHBondContact O-N 2.87Å; Y1338-F1349 HydrophobicContact CD1-CB 3.6Å; Y1338-F1349 HydrophobicContact CD1-CD1 4.03Å; Y1338-F1349 AromaticContact CD1-CG 3.95Å; Y1338-F1349 HydrophobicContact CD1-CG 3.95Å; Y1338-F1349 HydrophobicContact CE1-CB 4.02Å; Y1338-F1349 HydrophobicContact CG-CD1 4.35Å; Y1338-F1349 HydrophobicContact CG-CG 4.43Å; Y1338-N1359 WeakPolarHBondContact CA-OD1 3.36Å; Y1338-N1359 WeakPolarHBondContact CB-OD1 3.38Å; Y1338-C1367 VanDerWaalsContact C-SG 3.52Å
1339	Y	83.3	Confident	73.3	Confident	18 Å²	18	44.8 Å²	44.8	7%	0.071	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.1	171.8	-171.2	-98.7	0	0	0	111.1	R1287 C1320 H1341 K1344 N1359 C1371 I1372	R1287-Y1339 VanDerWaalsContact NH2-CE2 3.32Å; C1320-Y1339 HydrophobicContact CB-CD1 4.48Å; C1320-Y1339 HydrophobicContact CB-CG 4.28Å; C1320-Y1339 WeakPolarHBondContact O-CD1 3.43Å; Y1339-H1341 HydrophobicContact CD1-CB 4.33Å; Y1339-H1341 HydrophobicContact CE1-CB 4.31Å; Y1339-H1341 AromaticContact CE1-ND1 3.81Å; Y1339-H1341 PolarHBondContact O-N 3.1Å; Y1339-K1344 VanDerWaalsContact OH-CA 3.32Å; Y1339-K1344 WeakPolarHBondContact OH-CA 3.21Å; Y1339-N1359 PolarHBondContact N-OD1 2.77Å; Y1339-N1359 PolarHBondContact O-ND2 3.45Å; Y1339-C1371 HydrophobicContact CD2-CB 3.38Å; Y1339-C1371 HydrophobicContact CE2-CB 4.15Å; Y1339-C1371 WeakPolarHBondContact CE2-O 3.43Å; Y1339-C1371 HydrophobicContact CG-CB 3.71Å; Y1339-I1372 HydrophobicContact CD2-CG1 4.28Å; Y1339-I1372 HydrophobicContact CE2-CG1 4.08Å
1340	D	78.5	Confident	73.9	Confident	13 Å²	13	45.8 Å²	45.8	7%	0.07	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	104.1	167.3	-173.3	-28.6	0	0	0	109.2	Y1338 S1342 R1343 K1344 Q1345 L1347	Y1338-D1340 HydrophobicContact CE2-CB 3.87Å; D1340-S1342 PolarHBondContact O-N 2.85Å; D1340-S1342 WeakPolarHBondContact OD1-CA 3.4Å; D1340-S1342 WeakPolarHBondContact OD1-CB 3.47Å; D1340-S1342 PolarHBondContact OD1-N 2.96Å; D1340-S1342 PolarHBondContact OD1-OG 3.01Å; D1340-R1343 HydrophobicContact CB-CB 4.17Å; D1340-R1343 PolarHBondContact O-N 3.43Å; D1340-R1343 PolarHBondContact OD1-N 3.13Å; D1340-R1343 WeakPolarHBondContact OD2-CD 3.16Å; D1340-R1343 WeakPolarHBondContact OD2-CG 3.5Å; D1340-R1343 IonicContact OD2-CZ 2.7Å; D1340-R1343 IonicContact OD2-NE 2.83Å; D1340-R1343 IonicContact OD2-NH1 3.29Å; D1340-R1343 PolarHBondContact OD2-NH1 3.44Å; D1340-K1344 WeakPolarHBondContact O-CA 3.33Å; D1340-K1344 PolarHBondContact O-N 3.08Å; D1340-Q1345 PolarHBondContact N-O 2.94Å; D1340-Q1345 PolarHBondContact O-N 2.91Å; D1340-L1347 HydrophobicContact CB-CD1 3.91Å; D1340-L1347 HydrophobicContact CB-CG 4.22Å
1341	H	66.6	Low	74.4	Confident	95 Å²	95	46 Å²	46	44%	0.44	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.3	-180	-161.6	72	0	0	0	113.3	Y1339	Y1339-H1341 HydrophobicContact CD1-CB 4.33Å; Y1339-H1341 HydrophobicContact CE1-CB 4.31Å; Y1339-H1341 AromaticContact CE1-ND1 3.81Å; Y1339-H1341 PolarHBondContact O-N 3.1Å
1342	S	69.1	Low	74.3	Confident	104 Å²	104	46 Å²	46	73%	0.727	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-36	176.6	74.5	0	0	0	0	112.5	D1340	D1340-S1342 PolarHBondContact O-N 2.85Å; D1340-S1342 WeakPolarHBondContact OD1-CA 3.4Å; D1340-S1342 WeakPolarHBondContact OD1-CB 3.47Å; D1340-S1342 PolarHBondContact OD1-N 2.96Å; D1340-S1342 PolarHBondContact OD1-OG 3.01Å
1343	R	74	Confident	74	Confident	148 Å²	148	47.8 Å²	47.8	56%	0.558	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.5	-179.5	-63.3	-177.8	-178.4	114.7	-7.2	114.3	D1340 Q1345	D1340-R1343 HydrophobicContact CB-CB 4.17Å; D1340-R1343 PolarHBondContact O-N 3.43Å; D1340-R1343 PolarHBondContact OD1-N 3.13Å; D1340-R1343 WeakPolarHBondContact OD2-CD 3.16Å; D1340-R1343 WeakPolarHBondContact OD2-CG 3.5Å; D1340-R1343 IonicContact OD2-CZ 2.7Å; D1340-R1343 IonicContact OD2-NE 2.83Å; D1340-R1343 IonicContact OD2-NH1 3.29Å; D1340-R1343 PolarHBondContact OD2-NH1 3.44Å; R1343-Q1345 HydrophobicContact CB-CB 4.29Å; R1343-Q1345 WeakPolarHBondContact O-CG 3.17Å; R1343-Q1345 PolarHBondContact O-N 2.8Å
1344	K	69.5	Low	73.6	Confident	156 Å²	156	50.8 Å²	50.8	68%	0.678	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	31.5	-173.5	-57.6	-176.8	179.8	-179.2	0	113.5	Y1339 D1340	Y1339-K1344 VanDerWaalsContact OH-CA 3.32Å; Y1339-K1344 WeakPolarHBondContact OH-CA 3.21Å; D1340-K1344 WeakPolarHBondContact O-CA 3.33Å; D1340-K1344 PolarHBondContact O-N 3.08Å
1345	Q	79.7	Confident	72.7	Confident	101 Å²	101	53.9 Å²	53.9	47%	0.472	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.7	-170.8	-77.9	171.2	-2.5	0	0	111.5	D1340 R1343 L1347	D1340-Q1345 PolarHBondContact N-O 2.94Å; D1340-Q1345 PolarHBondContact O-N 2.91Å; R1343-Q1345 HydrophobicContact CB-CB 4.29Å; R1343-Q1345 WeakPolarHBondContact O-CG 3.17Å; R1343-Q1345 PolarHBondContact O-N 2.8Å; Q1345-L1347 HydrophobicContact CB-CD2 4.15Å; Q1345-L1347 HydrophobicContact CB-CG 4.44Å
1346	C	85.2	Confident	71	Confident	13 Å²	13	54.4 Å²	54.4	9%	0.088	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	114.4	163.5	-79.4	0	0	0	0	108.5	Y1338 L1364 C1367 N1368 I1372	Y1338-C1346 CarbonylContact O-C 3.56Å; Y1338-C1346 VanDerWaalsContact O-CA 3.28Å; Y1338-C1346 WeakPolarHBondContact O-CA 3.33Å; C1346-L1364 HydrophobicContact CB-CD1 3.93Å; C1346-C1367 HydrophobicContact CB-CB 3.71Å; C1346-C1367 WeakPolarHBondContact CB-SG 3.26Å; C1346-C1367 WeakPolarHBondContact SG-CB 3.31Å; C1346-C1367 PolarHBondContact SG-O 3.12Å; C1346-C1367 CovalentContact SG-SG 2.03Å; C1346-C1367 PolarHBondContact SG-SG 3.46Å; C1346-N1368 WeakPolarHBondContact CB-OD1 3.25Å; C1346-I1372 HydrophobicContact CB-CD1 3.89Å; C1346-I1372 HydrophobicContact CB-CG1 4.29Å
1347	L	83.6	Confident	69.4	Low	33 Å²	33	58.6 Å²	58.6	17%	0.173	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.2	177.7	-62.7	-176.3	0	0	0	109.7	F1337 Y1338 D1340 Q1345	F1337-L1347 VanDerWaalsContact CA-O 3.31Å; F1337-L1347 WeakPolarHBondContact CA-O 3.32Å; Y1338-L1347 HydrophobicContact CD1-CB 4.12Å; Y1338-L1347 VanDerWaalsContact CD1-O 3.32Å; Y1338-L1347 WeakPolarHBondContact CD1-O 2.97Å; Y1338-L1347 HydrophobicContact CE1-CB 3.57Å; Y1338-L1347 HydrophobicContact CE1-CD1 4.46Å; Y1338-L1347 PolarHBondContact N-O 2.93Å; Y1338-L1347 PolarHBondContact O-N 2.87Å; D1340-L1347 HydrophobicContact CB-CD1 3.91Å; D1340-L1347 HydrophobicContact CB-CG 4.22Å; Q1345-L1347 HydrophobicContact CB-CD2 4.15Å; Q1345-L1347 HydrophobicContact CB-CG 4.44Å
1348	P	83	Confident	68.2	Low	35 Å²	35	57.8 Å²	57.8	23%	0.227	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	141	170.1	27.5	-33.3	0	0	0	109.6	E1335 F1337	E1335-P1348 HydrophobicContact CG-CB 3.97Å; F1337-P1348 HydrophobicContact CD1-CB 4.2Å; F1337-P1348 HydrophobicContact CE1-CB 3.7Å; F1337-P1348 HydrophobicContact CE1-CG 4.39Å; F1337-P1348 HydrophobicContact CZ-CB 4.04Å
1349	F	81	Confident	67.6	Low	3 Å²	3	56.5 Å²	56.5	1%	0.013	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.8	167.5	90.4	-64.9	0	0	0	108.9	L1324 Q1325 N1327 R1336 F1337 Y1338 F1351 N1359 N1360	L1324-F1349 HydrophobicContact CD1-CB 3.92Å; L1324-F1349 HydrophobicContact CD1-CD1 4.43Å; L1324-F1349 HydrophobicContact CD1-CD2 3.27Å; L1324-F1349 HydrophobicContact CD1-CE2 3.86Å; L1324-F1349 HydrophobicContact CD1-CG 3.6Å; Q1325-F1349 HydrophobicContact CB-CE2 4.37Å; N1327-F1349 HydrophobicContact CB-CD2 3.97Å; N1327-F1349 WeakPolarHBondContact OD1-CB 2.98Å; R1336-F1349 CarbonylContact C-O 3.13Å; R1336-F1349 VanDerWaalsContact C-O 3.3Å; R1336-F1349 HydrophobicContact CB-CD1 4.13Å; R1336-F1349 HydrophobicContact CB-CE1 3.49Å; R1336-F1349 VanDerWaalsContact CB-CE1 3.49Å; R1336-F1349 HydrophobicContact CB-CZ 4.12Å; R1336-F1349 PolarHBondContact N-O 3.29Å; R1336-F1349 CarbonylContact O-C 3.59Å; R1336-F1349 PolarHBondContact O-N 2.78Å; F1337-F1349 VanDerWaalsContact C-CD1 3.44Å; F1337-F1349 VanDerWaalsContact O-CE1 3.31Å; F1337-F1349 WeakPolarHBondContact O-CE1 2.99Å; Y1338-F1349 HydrophobicContact CD1-CB 3.6Å; Y1338-F1349 HydrophobicContact CD1-CD1 4.03Å; Y1338-F1349 AromaticContact CD1-CG 3.95Å; Y1338-F1349 HydrophobicContact CD1-CG 3.95Å; Y1338-F1349 HydrophobicContact CE1-CB 4.02Å; Y1338-F1349 HydrophobicContact CG-CD1 4.35Å; Y1338-F1349 HydrophobicContact CG-CG 4.43Å; F1349-F1351 HydrophobicContact CE1-CB 4.48Å; F1349-F1351 HydrophobicContact CE2-CB 3.8Å; F1349-F1351 HydrophobicContact CE2-CD2 4.46Å; F1349-F1351 HydrophobicContact CZ-CB 3.69Å; F1349-F1351 HydrophobicContact CZ-CD2 4.45Å; F1349-F1351 HydrophobicContact CZ-CG 4.44Å; F1349-N1359 WeakPolarHBondContact CZ-O 3.34Å; F1349-N1360 HydrophobicContact CE1-CB 4.22Å; F1349-N1360 HydrophobicContact CZ-CB 3.69Å
1350	R	73.1	Confident	67.1	Low	21 Å²	21	56.4 Å²	56.4	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.7	-175.1	-74.4	166.7	173.2	-82.6	1.4	108.1	N1327 S1328 T1329 P1331 Y1333 P1334 E1335	N1327-R1350 CarbonylContact C-O 2.62Å; N1327-R1350 VanDerWaalsContact CA-O 3.27Å; N1327-R1350 WeakPolarHBondContact CA-O 3.41Å; N1327-R1350 PolarHBondContact OD1-N 2.87Å; N1327-R1350 PolarHBondContact OD1-O 3.27Å; S1328-R1350 PolarHBondContact N-O 3.15Å; S1328-R1350 WeakPolarHBondContact O-CB 3.21Å; T1329-R1350 VanDerWaalsContact O-CD 3.31Å; T1329-R1350 WeakPolarHBondContact O-CD 3.33Å; P1331-R1350 PolarHBondContact O-NH1 3.34Å; Y1333-R1350 PolarHBondContact O-NH1 2.98Å; P1334-R1350 CarbonylContact O-C 2.85Å; P1334-R1350 VanDerWaalsContact O-CA 3.25Å; P1334-R1350 WeakPolarHBondContact O-CA 3.18Å; E1335-R1350 HydrophobicContact CB-CG 4.34Å; E1335-R1350 IonicContact OE2-CZ 3.12Å; E1335-R1350 IonicContact OE2-NE 2.7Å; E1335-R1350 PolarHBondContact OE2-NE 2.82Å; E1335-R1350 IonicContact OE2-NH2 3.14Å; E1335-R1350 PolarHBondContact OE2-NH2 3.3Å
1351	F	69.7	Low	67.1	Low	12 Å²	12	56.3 Å²	56.3	5%	0.053	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-96.4	133.4	-161.9	155.4	-111.9	0	0	0	112.5	Y1333 P1334 R1336 F1349 G1353 L1355 N1360	Y1333-F1351 WeakPolarHBondContact CB-O 3.17Å; Y1333-F1351 WeakPolarHBondContact CD1-O 3.07Å; Y1333-F1351 VanDerWaalsContact CD2-O 3.25Å; Y1333-F1351 WeakPolarHBondContact CD2-O 3.42Å; P1334-F1351 WeakPolarHBondContact CD-O 3.34Å; P1334-F1351 HydrophobicContact CG-CB 4.13Å; P1334-F1351 HydrophobicContact CG-CD1 3.94Å; P1334-F1351 PolarHBondContact O-N 2.83Å; R1336-F1351 HydrophobicContact CB-CB 4.24Å; R1336-F1351 HydrophobicContact CG-CB 4.43Å; F1349-F1351 HydrophobicContact CE1-CB 4.48Å; F1349-F1351 HydrophobicContact CE2-CB 3.8Å; F1349-F1351 HydrophobicContact CE2-CD2 4.46Å; F1349-F1351 HydrophobicContact CZ-CB 3.69Å; F1349-F1351 HydrophobicContact CZ-CD2 4.45Å; F1349-F1351 HydrophobicContact CZ-CG 4.44Å; F1351-G1353 VanDerWaalsContact C-N 3.34Å; F1351-G1353 VanDerWaalsContact CZ-C 3.47Å; F1351-G1353 VanDerWaalsContact CZ-N 3.33Å; F1351-G1353 PolarHBondContact O-N 3.36Å; F1351-G1353 VanDerWaalsContact O-N 3.17Å; F1351-L1355 WeakPolarHBondContact CE2-O 3.17Å; F1351-L1355 WeakPolarHBondContact CZ-O 3.27Å; F1351-N1360 WeakPolarHBondContact CD1-ND2 3.34Å; F1351-N1360 WeakPolarHBondContact CD2-ND2 3.46Å; F1351-N1360 WeakPolarHBondContact CE2-ND2 3.33Å; F1351-N1360 WeakPolarHBondContact CG-ND2 3.34Å; F1351-N1360 WeakPolarHBondContact CZ-ND2 3.47Å
1352	T	60.6	Low	67.4	Low	1 Å²	1	56.4 Å²	56.4	1%	0.006	31%	0.307	C	S	.	.			trans	-82	9.8	-164.3	53.6	0	0	0	0	118.5	K1326 Y1333 L1354 T1587	K1326-T1352 HydrophobicContact CB-CG2 3.81Å; K1326-T1352 WeakPolarHBondContact CB-OG1 3.44Å; K1326-T1352 WeakPolarHBondContact O-CB 3.17Å; K1326-T1352 WeakPolarHBondContact O-CG2 3.33Å; K1326-T1352 PolarHBondContact O-N 3.03Å; K1326-T1352 PolarHBondContact O-OG1 3.18Å; Y1333-T1352 VanDerWaalsContact CD2-CA 3.41Å; Y1333-T1352 HydrophobicContact CD2-CG2 4.44Å; Y1333-T1352 WeakPolarHBondContact CE2-O 3.32Å; Y1333-T1352 VanDerWaalsContact CZ-O 3.24Å; Y1333-T1352 PolarHBondContact OH-O 3.17Å; T1352-L1354 PolarHBondContact O-N 2.57Å; T1352-T1587 WeakPolarHBondContact CB-O 3.34Å; T1352-T1587 WeakPolarHBondContact CG2-O 3.21Å
1353	G	49.9	Very low	67.6	Low	37 Å²	37	53.1 Å²	53.1	38%	0.381	28%	0.284	S	S	.	.	S	Bend	trans	67.9	-33.3	-171.4	0	0	0	0	0	114.7	Y1333 F1351 L1355	Y1333-G1353 WeakPolarHBondContact OH-CA 3.21Å; F1351-G1353 VanDerWaalsContact C-N 3.34Å; F1351-G1353 VanDerWaalsContact CZ-C 3.47Å; F1351-G1353 VanDerWaalsContact CZ-N 3.33Å; F1351-G1353 PolarHBondContact O-N 3.36Å; F1351-G1353 VanDerWaalsContact O-N 3.17Å; G1353-L1355 PolarHBondContact O-N 2.91Å
1354	L	48.2	Very low	67.8	Low	98 Å²	98	49.8 Å²	49.8	51%	0.513	28%	0.277	S	S	.	.	S	Bend	trans	-53.8	-20.9	-171.4	-74.9	165.7	0	0	0	116.3	K1326 T1352 T1587	K1326-L1354 HydrophobicContact CB-CD1 4.39Å; K1326-L1354 HydrophobicContact CD-CD1 3.94Å; T1352-L1354 PolarHBondContact O-N 2.57Å; L1354-T1587 HydrophobicContact CD1-CG2 4.3Å; L1354-T1587 HydrophobicContact CG-CG2 4.41Å
1355	L	45.5	Very low	67.5	Low	68 Å²	68	46.4 Å²	46.4	36%	0.356	27%	0.273	S	S	.	.			trans	-149.5	108.8	173.7	-74	177.4	0	0	0	110.2	Q1325 F1351 G1353 H1357	Q1325-L1355 VanDerWaalsContact NE2-CB 3.32Å; Q1325-L1355 PolarHBondContact NE2-O 2.95Å; Q1325-L1355 PolarHBondContact OE1-O 3.37Å; Q1325-L1355 VanDerWaalsContact OE1-O 3.11Å; F1351-L1355 WeakPolarHBondContact CE2-O 3.17Å; F1351-L1355 WeakPolarHBondContact CZ-O 3.27Å; G1353-L1355 PolarHBondContact O-N 2.91Å; L1355-H1357 PolarHBondContact O-N 2.87Å
1356	A	38.2	Very low	66.8	Low	72 Å²	72	42.8 Å²	42.8	60%	0.595	26%	0.261	S	S	*	.	S	Bend	trans	-66.7	-8.3	176.4	0	0	0	0	0	114.4
1357	H	46.7	Very low	66.5	Low	148 Å²	148	42.1 Å²	42.1	69%	0.685	26%	0.256	S	S	*	.	S	Bend	trans	-135.1	125.3	-172.6	-45.2	-33.3	0	0	0	110.8	Q1325 L1355	Q1325-H1357 PolarHBondContact NE2-O 2.87Å; L1355-H1357 PolarHBondContact O-N 2.87Å
1358	G	62.1	Low	66.1	Low	7 Å²	7	42.1 Å²	42.1	7%	0.072	26%	0.257	C	S	.	.	S	Bend	trans	131.5	173.7	-167.8	0	0	0	0	0	110.5	V1319 Q1325 N1360	V1319-G1358 VanDerWaalsContact CG1-O 3.23Å; V1319-G1358 WeakPolarHBondContact CG1-O 3.47Å; Q1325-G1358 VanDerWaalsContact NE2-CA 3.29Å; G1358-N1360 WeakPolarHBondContact O-CA 3.2Å; G1358-N1360 WeakPolarHBondContact O-CB 3.41Å; G1358-N1360 PolarHBondContact O-N 2.83Å
1359	N	73.1	Confident	65	Low	4 Å²	4	42.6 Å²	42.6	2%	0.021	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-55.6	89.3	-163.8	-157.9	-15.1	0	0	0	114.6	V1319 L1322 P1323 Y1338 Y1339 F1349	V1319-N1359 WeakPolarHBondContact O-CA 3.27Å; V1319-N1359 WeakPolarHBondContact O-CB 3.38Å; V1319-N1359 PolarHBondContact O-N 2.74Å; V1319-N1359 PolarHBondContact O-OD1 3.41Å; L1322-N1359 HydrophobicContact CB-CB 4.43Å; L1322-N1359 VanDerWaalsContact O-CB 3.25Å; L1322-N1359 WeakPolarHBondContact O-CB 3.17Å; L1322-N1359 PolarHBondContact O-ND2 3.42Å; P1323-N1359 WeakPolarHBondContact O-CB 3.43Å; Y1338-N1359 WeakPolarHBondContact CA-OD1 3.36Å; Y1338-N1359 WeakPolarHBondContact CB-OD1 3.38Å; Y1339-N1359 PolarHBondContact N-OD1 2.77Å; Y1339-N1359 PolarHBondContact O-ND2 3.45Å; F1349-N1359 WeakPolarHBondContact CZ-O 3.34Å
1360	N	71.9	Confident	64.3	Low	15 Å²	15	42.9 Å²	42.9	8%	0.08	27%	0.265	C	S	.	.			trans	-170	118.3	-159.7	179.1	-6.8	0	0	0	110.8	Q1325 R1336 F1337 F1349 F1351 G1358	Q1325-N1360 VanDerWaalsContact OE1-CB 3.25Å; Q1325-N1360 PolarHBondContact OE1-ND2 3.39Å; R1336-N1360 WeakPolarHBondContact CB-OD1 3.17Å; R1336-N1360 WeakPolarHBondContact CD-OD1 3.18Å; R1336-N1360 VanDerWaalsContact CG-OD1 3.24Å; R1336-N1360 WeakPolarHBondContact CG-OD1 3.47Å; R1336-N1360 PolarHBondContact NH1-ND2 3.01Å; R1336-N1360 PolarHBondContact NH1-OD1 2.03Å; F1337-N1360 CarbonylContact O-C 2.85Å; F1349-N1360 HydrophobicContact CE1-CB 4.22Å; F1349-N1360 HydrophobicContact CZ-CB 3.69Å; F1351-N1360 WeakPolarHBondContact CD1-ND2 3.34Å; F1351-N1360 WeakPolarHBondContact CD2-ND2 3.46Å; F1351-N1360 WeakPolarHBondContact CE2-ND2 3.33Å; F1351-N1360 WeakPolarHBondContact CG-ND2 3.34Å; F1351-N1360 WeakPolarHBondContact CZ-ND2 3.47Å; G1358-N1360 WeakPolarHBondContact O-CA 3.2Å; G1358-N1360 WeakPolarHBondContact O-CB 3.41Å; G1358-N1360 PolarHBondContact O-N 2.83Å
1361	F	79.1	Confident	64.2	Low	12 Å²	12	42 Å²	42	5%	0.053	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-134.9	133.2	-178.8	-56.6	-73.8	0	0	0	111.8	V1319 R1336 F1337 S1363 A1366 C1367 T1370 C1371	V1319-F1361 HydrophobicContact CB-CE1 4Å; V1319-F1361 HydrophobicContact CB-CZ 3.69Å; V1319-F1361 HydrophobicContact CG1-CD1 4.43Å; V1319-F1361 HydrophobicContact CG1-CE1 3.47Å; V1319-F1361 VanDerWaalsContact CG1-CE1 3.47Å; V1319-F1361 HydrophobicContact CG1-CE2 3.9Å; V1319-F1361 HydrophobicContact CG1-CZ 3.16Å; R1336-F1361 CarbonylContact C-O 3.6Å; R1336-F1361 WeakPolarHBondContact CA-O 3.37Å; R1336-F1361 WeakPolarHBondContact CB-O 3.27Å; R1336-F1361 WeakPolarHBondContact CG-O 3.14Å; F1337-F1361 PolarHBondContact N-O 3.21Å; F1337-F1361 WeakPolarHBondContact O-CD2 3Å; F1337-F1361 PolarHBondContact O-N 2.98Å; F1361-S1363 PolarHBondContact O-N 3.33Å; F1361-A1366 HydrophobicContact CB-CB 3.97Å; F1361-C1367 HydrophobicContact CB-CB 3.73Å; F1361-C1367 VanDerWaalsContact CB-N 3.34Å; F1361-C1367 HydrophobicContact CD2-CB 3.44Å; F1361-C1367 VanDerWaalsContact CD2-CB 3.44Å; F1361-C1367 VanDerWaalsContact CD2-SG 3.51Å; F1361-C1367 HydrophobicContact CE2-CB 4.33Å; F1361-C1367 VanDerWaalsContact CG-CA 3.46Å; F1361-C1367 HydrophobicContact CG-CB 3.77Å; F1361-T1370 HydrophobicContact CD1-CG2 4.29Å; F1361-T1370 VanDerWaalsContact CE1-CB 3.42Å; F1361-T1370 HydrophobicContact CE1-CG2 3.31Å; F1361-T1370 WeakPolarHBondContact CE1-OG1 3.08Å; F1361-T1370 HydrophobicContact CZ-CG2 3.6Å; F1361-C1371 WeakPolarHBondContact CE2-SG 3.36Å; F1361-C1371 WeakPolarHBondContact CZ-SG 3.2Å
1362	P	71.5	Confident	64.2	Low	96 Å²	96	44.8 Å²	44.8	62%	0.623	28%	0.277	S	S	*	.	S	Bend	trans	-66	-1	-171.3	27.6	-36.9	0	0	0	116	A1366	P1362-A1366 HydrophobicContact CG-CB 3.99Å
1363	S	73.7	Confident	63.7	Low	35 Å²	35	50.2 Å²	50.2	25%	0.245	30%	0.298	C	S	.	.	S	Bend	trans	-164.6	165.8	174.9	65.4	0	0	0	0	110.9	F1361 S1365 A1366 C1367	F1361-S1363 PolarHBondContact O-N 3.33Å; S1363-S1365 PolarHBondContact O-N 3.44Å; S1363-S1365 PolarHBondContact OG-N 3.23Å; S1363-S1365 PolarHBondContact OG-OG 2.74Å; S1363-A1366 PolarHBondContact O-N 3.45Å; S1363-A1366 VanDerWaalsContact O-N 3.12Å; S1363-A1366 WeakPolarHBondContact OG-CB 3.34Å; S1363-A1366 PolarHBondContact OG-N 2.84Å; S1363-C1367 PolarHBondContact O-N 2.88Å
1364	L	77.6	Confident	63.3	Low	78 Å²	78	49.1 Å²	49.1	41%	0.408	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-36.7	169.9	-179.9	58.9	0	0	0	110.9	F1337 C1346 A1366 C1367 N1368	F1337-L1364 HydrophobicContact CD1-CB 3.85Å; F1337-L1364 HydrophobicContact CD1-CD1 3.62Å; F1337-L1364 HydrophobicContact CD1-CG 4.29Å; F1337-L1364 HydrophobicContact CD2-CB 4.16Å; F1337-L1364 HydrophobicContact CE1-CB 3.7Å; F1337-L1364 HydrophobicContact CE1-CD1 3.9Å; F1337-L1364 HydrophobicContact CE1-CG 4.23Å; F1337-L1364 HydrophobicContact CE2-CB 4.05Å; F1337-L1364 HydrophobicContact CG-CB 4.09Å; F1337-L1364 HydrophobicContact CG-CD1 4.35Å; F1337-L1364 HydrophobicContact CZ-CB 3.83Å; C1346-L1364 HydrophobicContact CB-CD1 3.93Å; L1364-A1366 VanDerWaalsContact C-N 3.34Å; L1364-A1366 PolarHBondContact O-N 2.79Å; L1364-C1367 PolarHBondContact O-N 2.81Å; L1364-N1368 WeakPolarHBondContact CD1-OD1 2.99Å; L1364-N1368 WeakPolarHBondContact O-CB 3.44Å; L1364-N1368 PolarHBondContact O-N 2.03Å; L1364-N1368 PolarHBondContact O-OD1 3.4Å
1365	S	64.9	Low	62.4	Low	85 Å²	85	45.2 Å²	45.2	59%	0.594	26%	0.264	S	S	*	.	H	α-helix	trans	-64.2	-37.5	174.8	58.3	0	0	0	0	112.3	S1363 A1369	S1363-S1365 PolarHBondContact O-N 3.44Å; S1363-S1365 PolarHBondContact OG-N 3.23Å; S1363-S1365 PolarHBondContact OG-OG 2.74Å; S1365-A1369 WeakPolarHBondContact O-CB 2.79Å; S1365-A1369 PolarHBondContact O-N 2.75Å
1366	A	65.2	Low	61.5	Low	25 Å²	25	45.2 Å²	45.2	21%	0.207	27%	0.265	C	S	.	.	H	α-helix	trans	-72	-41.5	177.1	0	0	0	0	0	112.4	F1361 P1362 S1363 L1364 T1370	F1361-A1366 HydrophobicContact CB-CB 3.97Å; P1362-A1366 HydrophobicContact CG-CB 3.99Å; S1363-A1366 PolarHBondContact O-N 3.45Å; S1363-A1366 VanDerWaalsContact O-N 3.12Å; S1363-A1366 WeakPolarHBondContact OG-CB 3.34Å; S1363-A1366 PolarHBondContact OG-N 2.84Å; L1364-A1366 VanDerWaalsContact C-N 3.34Å; L1364-A1366 PolarHBondContact O-N 2.79Å; A1366-T1370 WeakPolarHBondContact O-CB 3.4Å; A1366-T1370 PolarHBondContact O-N 3.09Å; A1366-T1370 VanDerWaalsContact O-N 3.09Å; A1366-T1370 PolarHBondContact O-OG1 3.46Å
1367	C	78.2	Confident	61	Low	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-46.6	173	-175.5	0	0	0	0	110.6	F1337 Y1338 C1346 F1361 S1363 L1364 A1369 T1370 C1371	F1337-C1367 HydrophobicContact CB-CB 3.38Å; Y1338-C1367 VanDerWaalsContact C-SG 3.52Å; C1346-C1367 HydrophobicContact CB-CB 3.71Å; C1346-C1367 WeakPolarHBondContact CB-SG 3.26Å; C1346-C1367 WeakPolarHBondContact SG-CB 3.31Å; C1346-C1367 PolarHBondContact SG-O 3.12Å; C1346-C1367 CovalentContact SG-SG 2.03Å; C1346-C1367 PolarHBondContact SG-SG 3.46Å; F1361-C1367 HydrophobicContact CB-CB 3.73Å; F1361-C1367 VanDerWaalsContact CB-N 3.34Å; F1361-C1367 HydrophobicContact CD2-CB 3.44Å; F1361-C1367 VanDerWaalsContact CD2-CB 3.44Å; F1361-C1367 VanDerWaalsContact CD2-SG 3.51Å; F1361-C1367 HydrophobicContact CE2-CB 4.33Å; F1361-C1367 VanDerWaalsContact CG-CA 3.46Å; F1361-C1367 HydrophobicContact CG-CB 3.77Å; S1363-C1367 PolarHBondContact O-N 2.88Å; L1364-C1367 PolarHBondContact O-N 2.81Å; C1367-A1369 PolarHBondContact O-N 2.85Å; C1367-T1370 CarbonylContact O-C 3.47Å; C1367-T1370 PolarHBondContact O-N 3.32Å; C1367-C1371 VanDerWaalsContact O-CB 3.28Å; C1367-C1371 WeakPolarHBondContact O-CB 3.25Å; C1367-C1371 PolarHBondContact O-N 3.28Å
1368	N	75.4	Confident	60	Low	33 Å²	33	36.2 Å²	36.2	18%	0.176	21%	0.211	C	C	.	.	I	π-helix	trans	-56.4	-55.7	177.9	-75.3	-3.5	0	0	0	109.9	C1346 L1364 T1370 C1371 I1372 Y1373	C1346-N1368 WeakPolarHBondContact CB-OD1 3.25Å; L1364-N1368 WeakPolarHBondContact CD1-OD1 2.99Å; L1364-N1368 WeakPolarHBondContact O-CB 3.44Å; L1364-N1368 PolarHBondContact O-N 2.03Å; L1364-N1368 PolarHBondContact O-OD1 3.4Å; N1368-T1370 PolarHBondContact O-N 2.91Å; N1368-C1371 PolarHBondContact O-N 3.38Å; N1368-I1372 PolarHBondContact O-N 2.66Å; N1368-I1372 VanDerWaalsContact OD1-CD1 3.25Å; N1368-I1372 WeakPolarHBondContact OD1-CD1 3.42Å; N1368-Y1373 HydrophobicContact CB-CD2 3.83Å; N1368-Y1373 HydrophobicContact CB-CE2 4.39Å; N1368-Y1373 CarbonylContact O-C 3.57Å; N1368-Y1373 VanDerWaalsContact O-CA 3.25Å; N1368-Y1373 WeakPolarHBondContact O-CA 3.38Å; N1368-Y1373 VanDerWaalsContact O-CB 3.32Å; N1368-Y1373 WeakPolarHBondContact O-CB 3.1Å; N1368-Y1373 PolarHBondContact O-N 3.4Å
1369	A	60	Low	58.3	Low	44 Å²	44	40 Å²	40	36%	0.364	23%	0.233	S	C	.	.	I	π-helix	trans	-65.8	-3.2	178.1	0	0	0	0	0	115.2	S1365 C1367 Y1373	S1365-A1369 WeakPolarHBondContact O-CB 2.79Å; S1365-A1369 PolarHBondContact O-N 2.75Å; C1367-A1369 PolarHBondContact O-N 2.85Å; A1369-Y1373 CarbonylContact C-O 3.2Å
1370	T	65.8	Low	56.1	Low	9 Å²	9	43.6 Å²	43.6	6%	0.055	25%	0.251	C	S	.	.	I	π-helix	trans	-106.6	-34	171.4	-48.5	0	0	0	0	112.6	I1261 R1265 M1284 C1320 F1361 A1366 C1367 N1368	I1261-T1370 HydrophobicContact CD1-CG2 3.75Å; I1261-T1370 HydrophobicContact CG2-CG2 4.23Å; R1265-T1370 PolarHBondContact NH2-OG1 2.84Å; M1284-T1370 WeakPolarHBondContact CE-O 3.15Å; C1320-T1370 VanDerWaalsContact SG-C 3.56Å; C1320-T1370 VanDerWaalsContact SG-CG2 3.53Å; C1320-T1370 PolarHBondContact SG-O 3.33Å; C1320-T1370 VanDerWaalsContact SG-O 3.37Å; F1361-T1370 HydrophobicContact CD1-CG2 4.29Å; F1361-T1370 VanDerWaalsContact CE1-CB 3.42Å; F1361-T1370 HydrophobicContact CE1-CG2 3.31Å; F1361-T1370 WeakPolarHBondContact CE1-OG1 3.08Å; F1361-T1370 HydrophobicContact CZ-CG2 3.6Å; A1366-T1370 WeakPolarHBondContact O-CB 3.4Å; A1366-T1370 PolarHBondContact O-N 3.09Å; A1366-T1370 VanDerWaalsContact O-N 3.09Å; A1366-T1370 PolarHBondContact O-OG1 3.46Å; C1367-T1370 CarbonylContact O-C 3.47Å; C1367-T1370 PolarHBondContact O-N 3.32Å; N1368-T1370 PolarHBondContact O-N 2.91Å
1371	C	71.9	Confident	53.9	Low	3 Å²	3	44.6 Å²	44.6	2%	0.02	26%	0.261	C	S	.	.	I	π-helix	trans	-132.3	-26.3	-158.2	-51.3	0	0	0	0	116.5	R1287 C1320 Y1339 F1361 C1367 N1368	R1287-C1371 PolarHBondContact NH2-O 2.96Å; C1320-C1371 HydrophobicContact CB-CB 3.66Å; C1320-C1371 WeakPolarHBondContact CB-SG 3.36Å; C1320-C1371 WeakPolarHBondContact SG-CA 2.88Å; C1320-C1371 WeakPolarHBondContact SG-CB 3.21Å; C1320-C1371 CovalentContact SG-SG 2.02Å; C1320-C1371 PolarHBondContact SG-SG 2.87Å; Y1339-C1371 HydrophobicContact CD2-CB 3.38Å; Y1339-C1371 HydrophobicContact CE2-CB 4.15Å; Y1339-C1371 WeakPolarHBondContact CE2-O 3.43Å; Y1339-C1371 HydrophobicContact CG-CB 3.71Å; F1361-C1371 WeakPolarHBondContact CE2-SG 3.36Å; F1361-C1371 WeakPolarHBondContact CZ-SG 3.2Å; C1367-C1371 VanDerWaalsContact O-CB 3.28Å; C1367-C1371 WeakPolarHBondContact O-CB 3.25Å; C1367-C1371 PolarHBondContact O-N 3.28Å; N1368-C1371 PolarHBondContact O-N 3.38Å
1372	I	68.6	Low	51.6	Low	70 Å²	70	50.4 Å²	50.4	36%	0.359	29%	0.289	S	S	.	.	I	π-helix	trans	-107.9	-58.3	173.5	-54.4	-179.3	0	0	0	109.1	Y1339 C1346 N1368 V1374	Y1339-I1372 HydrophobicContact CD2-CG1 4.28Å; Y1339-I1372 HydrophobicContact CE2-CG1 4.08Å; C1346-I1372 HydrophobicContact CB-CD1 3.89Å; C1346-I1372 HydrophobicContact CB-CG1 4.29Å; N1368-I1372 PolarHBondContact O-N 2.66Å; N1368-I1372 VanDerWaalsContact OD1-CD1 3.25Å; N1368-I1372 WeakPolarHBondContact OD1-CD1 3.42Å; I1372-V1374 PolarHBondContact O-N 2.7Å
1373	Y	49.8	Very low	49.5	Very low	116 Å²	116	54.3 Å²	54.3	46%	0.455	30%	0.296	S	S	.	.			trans	-75.4	71.2	164.6	-68.7	-113.9	0	0	0	107.7	L970 N1368 A1369	L970-Y1373 HydrophobicContact CD2-CD1 4.47Å; N1368-Y1373 HydrophobicContact CB-CD2 3.83Å; N1368-Y1373 HydrophobicContact CB-CE2 4.39Å; N1368-Y1373 CarbonylContact O-C 3.57Å; N1368-Y1373 VanDerWaalsContact O-CA 3.25Å; N1368-Y1373 WeakPolarHBondContact O-CA 3.38Å; N1368-Y1373 VanDerWaalsContact O-CB 3.32Å; N1368-Y1373 WeakPolarHBondContact O-CB 3.1Å; N1368-Y1373 PolarHBondContact O-N 3.4Å; A1369-Y1373 CarbonylContact C-O 3.2Å
1374	V	41.3	Very low	47.3	Very low	14 Å²	14	58.2 Å²	58.2	9%	0.085	31%	0.313	C	S	.	.				-49.8	132.6	127.5	-152.9	0	0	0	0	105.6	K966 M1284 Q1285 I1372 D1376	K966-V1374 PolarHBondContact NZ-O 3.21Å; M1284-V1374 HydrophobicContact CB-CB 4.25Å; M1284-V1374 HydrophobicContact CB-CG1 3.58Å; M1284-V1374 HydrophobicContact CB-CG2 3.58Å; M1284-V1374 HydrophobicContact CG-CG1 4.05Å; Q1285-V1374 HydrophobicContact CG-CG2 4.36Å; I1372-V1374 PolarHBondContact O-N 2.7Å; V1374-D1376 PolarHBondContact O-N 2.82Å
1375	P	30.7	Very low	45	Very low	15 Å²	15	57.8 Å²	57.8	10%	0.097	31%	0.309	C	S	.	.			trans	-47.8	130.3	154.8	11.8	-19.3	0	0	0	108.4	K966 E967 L970 I1377	K966-P1375 HydrophobicContact CG-CB 4.33Å; K966-P1375 WeakPolarHBondContact O-CB 3.23Å; E967-P1375 HydrophobicContact CB-CB 4.33Å; L970-P1375 HydrophobicContact CB-CB 4.26Å; L970-P1375 HydrophobicContact CD1-CB 3.64Å; L970-P1375 HydrophobicContact CD1-CG 3.95Å; L970-P1375 HydrophobicContact CG-CB 3.86Å; P1375-I1377 VanDerWaalsContact C-N 3.33Å; P1375-I1377 HydrophobicContact CB-CD1 3.62Å; P1375-I1377 HydrophobicContact CB-CG1 3.88Å; P1375-I1377 HydrophobicContact CG-CD1 3.53Å; P1375-I1377 HydrophobicContact CG-CG1 4.34Å; P1375-I1377 VanDerWaalsContact O-CG1 3.24Å; P1375-I1377 WeakPolarHBondContact O-CG1 3.23Å; P1375-I1377 PolarHBondContact O-N 3.46Å
1376	D	26.9	Very low	43.2	Very low	69 Å²	69	62.7 Å²	62.7	37%	0.369	32%	0.323	S	S	.	.	S	Bend	trans	-69.2	96	-178.6	-62.6	-29.3	0	0	0	108.8	K966 V1374	K966-D1376 HydrophobicContact CB-CB 3.93Å; K966-D1376 VanDerWaalsContact CB-N 3.3Å; K966-D1376 WeakPolarHBondContact CB-O 2.98Å; K966-D1376 HydrophobicContact CD-CB 3.76Å; K966-D1376 VanDerWaalsContact CD-N 3.29Å; K966-D1376 VanDerWaalsContact CD-OD2 3.24Å; K966-D1376 WeakPolarHBondContact CD-OD2 3.42Å; K966-D1376 HydrophobicContact CG-CB 4.33Å; K966-D1376 VanDerWaalsContact CG-N 3.26Å; K966-D1376 PolarHBondContact N-O 2.67Å; K966-D1376 VanDerWaalsContact N-O 3.14Å; K966-D1376 IonicContact NZ-OD1 3.81Å; K966-D1376 PolarHBondContact NZ-OD1 2.71Å; K966-D1376 IonicContact NZ-OD2 2.74Å; K966-D1376 PolarHBondContact NZ-OD2 2.79Å; V1374-D1376 PolarHBondContact O-N 2.82Å
1377	I	27.3	Very low	41.4	Very low	4 Å²	4	66 Å²	66	2%	0.021	35%	0.345	C	S	.	.			trans	-121.5	8.3	-176.6	-51.7	158.5	0	0	0	110.7	L963 L964 E967 P1267 P1375	L963-I1377 HydrophobicContact CB-CG2 4.19Å; L963-I1377 HydrophobicContact CG-CG2 4.37Å; L964-I1377 HydrophobicContact CB-CB 4.4Å; L964-I1377 HydrophobicContact CB-CG2 3.59Å; L964-I1377 HydrophobicContact CD1-CG2 3.59Å; L964-I1377 WeakPolarHBondContact CD1-O 3.11Å; L964-I1377 WeakPolarHBondContact CD2-O 3.25Å; L964-I1377 HydrophobicContact CG-CG2 4.08Å; E967-I1377 HydrophobicContact CB-CD1 3.39Å; E967-I1377 HydrophobicContact CB-CG1 3.69Å; E967-I1377 HydrophobicContact CG-CD1 3.71Å; P1267-I1377 HydrophobicContact CB-CB 4.24Å; P1267-I1377 HydrophobicContact CB-CG2 3.81Å; P1267-I1377 HydrophobicContact CG-CB 3.55Å; P1267-I1377 HydrophobicContact CG-CD1 3.65Å; P1267-I1377 HydrophobicContact CG-CG1 4.19Å; P1267-I1377 HydrophobicContact CG-CG2 2.97Å; P1375-I1377 VanDerWaalsContact C-N 3.33Å; P1375-I1377 HydrophobicContact CB-CD1 3.62Å; P1375-I1377 HydrophobicContact CB-CG1 3.88Å; P1375-I1377 HydrophobicContact CG-CD1 3.53Å; P1375-I1377 HydrophobicContact CG-CG1 4.34Å; P1375-I1377 VanDerWaalsContact O-CG1 3.24Å; P1375-I1377 WeakPolarHBondContact O-CG1 3.23Å; P1375-I1377 PolarHBondContact O-N 3.46Å
1378	E	25.8	Very low	38.9	Very low	26 Å²	26	69.9 Å²	69.9	12%	0.121	37%	0.372	C	S	.	.	S	Bend	trans	-133.8	126.5	165	-62.8	174.9	120.2	0	0	108.8	Y1268 Y1281 Q1285	Y1268-E1378 WeakPolarHBondContact CD1-OE1 3.37Å; Y1268-E1378 HydrophobicContact CE1-CG 4.21Å; Y1268-E1378 WeakPolarHBondContact CE1-OE1 2.94Å; Y1281-E1378 VanDerWaalsContact CE2-OE1 3.32Å; Y1281-E1378 WeakPolarHBondContact CE2-OE1 3.04Å; Y1281-E1378 PolarHBondContact OH-OE1 2.81Å; Q1285-E1378 PolarHBondContact NE2-O 3.19Å
1379	V	25.8	Very low	36.7	Very low	88 Å²	88	75.9 Å²	75.9	53%	0.533	40%	0.403	S	S	.	.			trans	55.4	87.9	162.3	-164.6	0	0	0	0	117.1	A1381 E1382	V1379-A1381 HydrophobicContact CG1-CB 3.95Å; V1379-E1382 HydrophobicContact CG1-CB 4.36Å; V1379-E1382 HydrophobicContact CG1-CG 3.91Å
1380	I	26.4	Very low	35	Very low	79 Å²	79	81.5 Å²	81.5	41%	0.405	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.3	161.6	-71.9	176.4	0	0	0	112	E1382 I1384	I1380-E1382 VanDerWaalsContact C-N 3.3Å; I1380-E1382 PolarHBondContact O-N 3.06Å; I1380-I1384 HydrophobicContact CG2-CD1 4.39Å
1381	A	26.7	Very low	33.1	Very low	35 Å²	35	88 Å²	88	29%	0.289	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.5	-173.4	0	0	0	0	0	116.2	V1379	V1379-A1381 HydrophobicContact CG1-CB 3.95Å
1382	E	29.3	Very low	30.8	Very low	135 Å²	135	92.3 Å²	92.3	63%	0.631	49%	0.491	S	S	*	.	S	Bend	trans	-101.9	-32.5	-179.6	-69.3	-167.3	132.3	0	0	114	V1379 I1380 I1384 M1385	V1379-E1382 HydrophobicContact CG1-CB 4.36Å; V1379-E1382 HydrophobicContact CG1-CG 3.91Å; I1380-E1382 VanDerWaalsContact C-N 3.3Å; I1380-E1382 PolarHBondContact O-N 3.06Å; E1382-I1384 PolarHBondContact O-N 2.95Å; E1382-M1385 PolarHBondContact O-N 3.39Å
1383	K	27.9	Very low	28.8	Very low	178 Å²	178	95.8 Å²	95.8	77%	0.774	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	5.7	-173.9	-88.4	178.6	178.3	167.5	0	116.2
1384	I	28.9	Very low	27.7	Very low	117 Å²	117	99.6 Å²	99.6	60%	0.6	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-24.3	163.4	-67.4	178.5	0	0	0	111.1	I1380 E1382 S1387	I1380-I1384 HydrophobicContact CG2-CD1 4.39Å; E1382-I1384 PolarHBondContact O-N 2.95Å; I1384-S1387 PolarHBondContact O-OG 3.4Å
1385	M	27.6	Very low	27	Very low	69 Å²	69	103.2 Å²	103.2	34%	0.34	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	14.6	-175.5	-74.5	-177.9	162.6	0	0	115.1	A553 K555 E1382	A553-M1385 VanDerWaalsContact O-CE 3.32Å; A553-M1385 WeakPolarHBondContact O-CE 3.4Å; K555-M1385 HydrophobicContact CD-CE 4.48Å; K555-M1385 HydrophobicContact CD-SD 3.41Å; K555-M1385 WeakPolarHBondContact CD-SD 3Å; K555-M1385 WeakPolarHBondContact CE-SD 3.32Å; K555-M1385 HydrophobicContact CG-CE 4.15Å; K555-M1385 HydrophobicContact CG-SD 3.71Å; K555-M1385 PolarHBondContact NZ-SD 2.75Å; K555-M1385 VanDerWaalsContact NZ-SD 3.43Å; E1382-M1385 PolarHBondContact O-N 3.39Å
1386	Q	28.6	Very low	26.8	Very low	188 Å²	188	107.2 Å²	107.2	88%	0.879	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	20.6	163.5	-70.4	-169	-12.1	0	0	112.9
1387	S	26	Very low	26.7	Very low	95 Å²	95	108.4 Å²	108.4	66%	0.664	57%	0.567	S	S	*	*	S	Bend	trans	-126.4	26	170.2	57.3	0	0	0	0	112.9	I1384	I1384-S1387 PolarHBondContact O-OG 3.4Å
1388	S	26.4	Very low	26.5	Very low	81 Å²	81	114.9 Å²	114.9	57%	0.566	60%	0.598	S	S	*	*			trans	-135.4	21.7	174.5	68.5	0	0	0	0	114.2	L1390	S1388-L1390 PolarHBondContact O-N 2.84Å
1389	N	28.6	Very low	26.8	Very low	158 Å²	158	118.6 Å²	118.6	85%	0.845	63%	0.626	S	S	*	*			trans	-89.3	71.2	157.1	-104.5	-4.3	0	0	0	108.9
1390	L	25.3	Very low	26.7	Very low	163 Å²	163	120.6 Å²	120.6	85%	0.853	63%	0.634	S	S	*	*			trans	-122.8	34.4	166.7	-111.7	171.7	0	0	0	111	S1388	S1388-L1390 PolarHBondContact O-N 2.84Å
1391	N	25.1	Very low	26.7	Very low	146 Å²	146	125.1 Å²	125.1	78%	0.781	65%	0.651	S	S	*	*			trans	-83.8	133.1	148	-62.7	-24.3	0	0	0	106.4
1392	S	24.9	Very low	26.7	Very low	92 Å²	92	129.1 Å²	129.1	64%	0.643	67%	0.672	S	S	*	*			cis	-148.3	165.8	4.2	69.9	0	0	0	0	113.6
1393	D	25.4	Very low	26.5	Very low	144 Å²	144	129.9 Å²	129.9	77%	0.77	68%	0.68	S	S	*	*			trans	72.9	152.1	152.6	-65	-56.9	0	0	0	123.4
1394	K	27.4	Very low	26.4	Very low	195 Å²	195	127.1 Å²	127.1	85%	0.848	67%	0.672	S	S	*	*			trans	57.2	93.1	164.3	-71.7	174.7	-177.8	175	0	118.4
1395	K	26.5	Very low	26.3	Very low	91 Å²	91	128.1 Å²	128.1	40%	0.396	67%	0.674	S	S	.	*			trans	-53.6	153.7	164.1	-120.2	88.9	81.3	-79.3	0	114.4	K283 T284 S285	K283-K1395 VanDerWaalsContact CE-O 3.27Å; K283-K1395 WeakPolarHBondContact CE-O 3.36Å; T284-K1395 WeakPolarHBondContact OG1-CB 3.33Å; S285-K1395 WeakPolarHBondContact OG-CE 3.4Å; S285-K1395 PolarHBondContact OG-NZ 3.18Å
1396	L	25.5	Very low	26.3	Very low	98 Å²	98	128.1 Å²	128.1	51%	0.513	69%	0.685	S	S	.	*			trans	69.3	154.5	143.1	-105.1	70.8	0	0	0	120	E282 K283	E282-L1396 WeakPolarHBondContact O-CB 3.24Å; K283-L1396 HydrophobicContact CD-CB 4.31Å; K283-L1396 WeakPolarHBondContact CD-O 3.37Å; K283-L1396 VanDerWaalsContact CE-O 3.24Å; K283-L1396 WeakPolarHBondContact CE-O 3.17Å; K283-L1396 HydrophobicContact CG-CB 4.36Å; K283-L1396 PolarHBondContact NZ-O 3.02Å
1397	E	24.6	Very low	26.2	Very low	95 Å²	95	122 Å²	122	44%	0.444	66%	0.663	S	S	.	*			trans	12.9	148	158.3	-23.9	177.8	103	0	0	118.7	H281 E282 K283	H281-E1397 WeakPolarHBondContact O-CB 3.45Å; E282-E1397 WeakPolarHBondContact CA-OE2 3.32Å; E282-E1397 VanDerWaalsContact N-CB 3.31Å; E282-E1397 PolarHBondContact N-OE2 3.07Å; E282-E1397 WeakPolarHBondContact O-CB 3.18Å; E282-E1397 VanDerWaalsContact O-CG 3.25Å; E282-E1397 WeakPolarHBondContact O-CG 3.13Å; K283-E1397 PolarHBondContact NZ-O 3.45Å
1398	E	24.5	Very low	26.1	Very low	140 Å²	140	120.5 Å²	120.5	65%	0.654	65%	0.653	S	S	*	*			cis	-147.8	162.5	43.9	-170.2	-179.7	-123.6	0	0	111.6
1399	S	30.8	Very low	26	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	66%	0.658	S	S	*	*			trans	-82.7	117.8	-176.7	55.9	0	0	0	0	113.8
1400	N	25	Very low	25.9	Very low	129 Å²	129	120.3 Å²	120.3	69%	0.69	64%	0.639	S	S	*	*			trans	-154.1	114	146.8	-109.5	-56.1	0	0	0	114.9
1401	K	26.5	Very low	26.2	Very low	174 Å²	174	113 Å²	113	76%	0.757	60%	0.601	S	S	*	*			trans	54.5	128.6	140.2	-70.5	174.2	-175.4	165	0	122.2
1402	T	26.7	Very low	26.8	Very low	120 Å²	120	106.7 Å²	106.7	74%	0.736	57%	0.568	S	S	*	*			trans	86.5	129.3	133.6	42.9	0	0	0	0	122.1
1403	L	25.3	Very low	27.3	Very low	151 Å²	151	102.3 Å²	102.3	79%	0.791	54%	0.537	S	S	*	.			trans	73	134.6	151.5	-87.9	69	0	0	0	117.7
1404	I	26.2	Very low	27.6	Very low	119 Å²	119	95.6 Å²	95.6	61%	0.61	50%	0.502	S	S	*	.			cis	-162.2	144.6	-11.7	-143.8	178.1	0	0	0	111.8
1405	Q	26.3	Very low	27.8	Very low	139 Å²	139	87.4 Å²	87.4	65%	0.65	47%	0.468	S	S	*	.			trans	60.3	157.2	157.6	-72.9	158.5	28.6	0	0	119.4
1406	A	27.4	Very low	27.9	Very low	68 Å²	68	89.6 Å²	89.6	56%	0.562	48%	0.479	S	S	*	.			cis	-163.7	122	-20.3	0	0	0	0	0	112.2
1407	S	25.8	Very low	28	Very low	60 Å²	60	92.6 Å²	92.6	42%	0.42	49%	0.491	S	S	.	.				34.8	116	129.2	56.8	0	0	0	0	123.5	N1606	S1407-N1606 WeakPolarHBondContact OG-CB 3.25Å; S1407-N1606 PolarHBondContact OG-O 2.98Å
1408	S	24.6	Very low	28.1	Very low	64 Å²	64	95.7 Å²	95.7	45%	0.448	51%	0.507	S	S	.	.				51.4	154.4	127.9	51.3	0	0	0	0	122.6	F1607	S1408-F1607 VanDerWaalsContact C-CE1 3.4Å; S1408-F1607 WeakPolarHBondContact O-CE1 2.93Å; S1408-F1607 WeakPolarHBondContact OG-CE2 3.44Å; S1408-F1607 WeakPolarHBondContact OG-CZ 3.12Å
1409	M	24.5	Very low	28.3	Very low	139 Å²	139	93.6 Å²	93.6	69%	0.685	50%	0.504	S	S	*	.			cis	99.1	82.1	16	-167.7	174.6	166.8	0	0	117.2	F1607	M1409-F1607 VanDerWaalsContact C-CZ 3.48Å; M1409-F1607 VanDerWaalsContact N-CE1 3.3Å; M1409-F1607 VanDerWaalsContact O-CZ 3.23Å; M1409-F1607 WeakPolarHBondContact O-CZ 3.47Å
1410	E	25.7	Very low	28.2	Very low	96 Å²	96	95.6 Å²	95.6	45%	0.449	51%	0.506	S	S	.	.			trans	77	131.6	167.2	-59.9	170.8	-152.6	0	0	118.6	F1607	E1410-F1607 VanDerWaalsContact O-CE1 3.26Å; E1410-F1607 WeakPolarHBondContact O-CE1 3.27Å; E1410-F1607 WeakPolarHBondContact O-CZ 3.49Å
1411	N	32.6	Very low	28.5	Very low	8 Å²	8	97.8 Å²	97.8	4%	0.043	51%	0.513	C	S	.	.			trans	169.9	20.2	-153.7	-178.5	26.9	0	0	0	119	Q1596 A1597 V1598 T1599 H1600 F1607	N1411-Q1596 CarbonylContact C-O 3.57Å; N1411-Q1596 VanDerWaalsContact CB-O 3.3Å; N1411-Q1596 WeakPolarHBondContact CB-O 2.46Å; N1411-Q1596 PolarHBondContact ND2-O 2.84Å; N1411-Q1596 CarbonylContact O-C 3.53Å; N1411-Q1596 PolarHBondContact O-N 2.76Å; N1411-A1597 VanDerWaalsContact CG-C 3.41Å; N1411-A1597 WeakPolarHBondContact ND2-CA 3.18Å; N1411-A1597 PolarHBondContact ND2-O 3.44Å; N1411-A1597 CarbonylContact O-C 3.59Å; N1411-A1597 PolarHBondContact O-N 3.31Å; N1411-A1597 PolarHBondContact OD1-O 3.38Å; N1411-V1598 CarbonylContact O-C 3.58Å; N1411-V1598 WeakPolarHBondContact O-CA 3.37Å; N1411-V1598 PolarHBondContact O-N 3.13Å; N1411-V1598 PolarHBondContact OD1-N 3.43Å; N1411-V1598 VanDerWaalsContact OD1-N 3.17Å; N1411-T1599 VanDerWaalsContact C-N 3.25Å; N1411-T1599 PolarHBondContact O-N 3.05Å; N1411-T1599 VanDerWaalsContact OD1-C 3.29Å; N1411-T1599 PolarHBondContact OD1-N 2.97Å; N1411-T1599 PolarHBondContact OD1-O 2.77Å; N1411-H1600 PolarHBondContact OD1-NE2 3.18Å; N1411-F1607 HydrophobicContact CB-CD1 3.94Å; N1411-F1607 HydrophobicContact CB-CE1 4.08Å
1412	P	37.9	Very low	28.6	Very low	14 Å²	14	95.4 Å²	95.4	9%	0.091	51%	0.508	C	S	.	.			trans	-81.2	0	-166.8	1.2	-2.3	0	0	0	113.8	K1593 I1594 F1595 Q1596 V1598 T1599	P1412-K1593 VanDerWaalsContact CB-O 3.26Å; P1412-K1593 WeakPolarHBondContact CB-O 3.2Å; P1412-I1594 CarbonylContact C-O 3.49Å; P1412-I1594 WeakPolarHBondContact CA-O 3.18Å; P1412-I1594 WeakPolarHBondContact CB-O 3.19Å; P1412-F1595 VanDerWaalsContact C-C 3.45Å; P1412-F1595 VanDerWaalsContact C-N 3.33Å; P1412-F1595 WeakPolarHBondContact CA-O 3.17Å; P1412-F1595 HydrophobicContact CB-CB 4.03Å; P1412-F1595 VanDerWaalsContact CB-O 3.27Å; P1412-F1595 WeakPolarHBondContact CB-O 3.11Å; P1412-F1595 WeakPolarHBondContact CD-O 2.65Å; P1412-F1595 HydrophobicContact CG-CB 4.44Å; P1412-F1595 WeakPolarHBondContact CG-O 3.47Å; P1412-Q1596 HydrophobicContact CB-CB 3.17Å; P1412-Q1596 HydrophobicContact CB-CG 4.2Å; P1412-Q1596 HydrophobicContact CG-CB 3.25Å; P1412-Q1596 HydrophobicContact CG-CG 3.38Å; P1412-V1598 CarbonylContact O-C 3.16Å; P1412-V1598 WeakPolarHBondContact O-CA 3.48Å; P1412-V1598 WeakPolarHBondContact O-CB 3.28Å; P1412-T1599 PolarHBondContact O-N 3.14Å; P1412-T1599 PolarHBondContact O-OG1 2.95Å
1413	T	34	Very low	28.7	Very low	0 Å²	0	95.6 Å²	95.6	0%	0	51%	0.51	C	S	.	.				0	0	0	-11.4	0	0	0	0	125.9	T1329 I1594 F1595 P1624 C1625 W1626 H1663	T1329-T1413 HydrophobicContact CG2-CG2 3.17Å; T1413-I1594 WeakPolarHBondContact CA-O 3.24Å; T1413-I1594 VanDerWaalsContact CG2-C 3.46Å; T1413-I1594 HydrophobicContact CG2-CB 3.92Å; T1413-I1594 HydrophobicContact CG2-CG2 3.83Å; T1413-I1594 VanDerWaalsContact N-C 3.28Å; T1413-I1594 PolarHBondContact N-O 3.5Å; T1413-F1595 HydrophobicContact CG2-CB 4.43Å; T1413-F1595 VanDerWaalsContact CG2-N 3.3Å; T1413-F1595 WeakPolarHBondContact OG1-CA 3.43Å; T1413-F1595 WeakPolarHBondContact OG1-CB 3.11Å; T1413-F1595 WeakPolarHBondContact OG1-CD2 2.55Å; T1413-F1595 WeakPolarHBondContact OG1-CG 3.2Å; T1413-F1595 PolarHBondContact OG1-N 3.29Å; T1413-P1624 CarbonylContact O-C 3.45Å; T1413-P1624 WeakPolarHBondContact O-CA 3.32Å; T1413-P1624 WeakPolarHBondContact O-CB 3.48Å; T1413-C1625 PolarHBondContact O-N 2.91Å; T1413-W1626 PolarHBondContact O-NE1 2.74Å; T1413-H1663 PolarHBondContact O-CD2 2.92Å; T1413-H1663 PolarHBondContact O-NE2 2.63Å
1414	N	32.7	Very low	28.8	Very low	4 Å²	4	93.1 Å²	93.1	2%	0.021	51%	0.505	C	S	.	.				0	-179.5	0	-148.9	-0.8	0	0	0	121.3	T1329 D1330 H1591 K1622 W1626 H1663	T1329-N1414 PolarHBondContact OG1-ND2 2.68Å; T1329-N1414 PolarHBondContact OG1-OD1 3.29Å; D1330-N1414 WeakPolarHBondContact CB-ND2 3.34Å; D1330-N1414 PolarHBondContact OD1-ND2 3.39Å; D1330-N1414 PolarHBondContact OD2-ND2 3.21Å; N1414-H1591 PolarHBondContact OD1-CD2 3.27Å; N1414-K1622 WeakPolarHBondContact O-CD 3.02Å; N1414-K1622 WeakPolarHBondContact O-CE 3.37Å; N1414-K1622 PolarHBondContact O-NZ 2.78Å; N1414-W1626 HydrophobicContact CB-CZ2 3.7Å; N1414-H1663 PolarHBondContact N-NE2 2.96Å; N1414-H1663 PolarHBondContact O-CE1 2.98Å; N1414-H1663 PolarHBondContact O-ND1 2.87Å
1415	T	30.6	Very low	28.8	Very low	22 Å²	22	95.1 Å²	95.1	14%	0.135	52%	0.515	C	S	.	.			trans	81.2	128.3	140.6	26	0	0	0	0	131.6	I1586 K1622 H1663	T1415-I1586 HydrophobicContact CG2-CD1 3.5Å; T1415-I1586 HydrophobicContact CG2-CG1 3.75Å; T1415-K1622 PolarHBondContact O-NZ 2.99Å; T1415-H1663 PolarHBondContact OG1-CE1 2.79Å
1416	Q	29.9	Very low	28.8	Very low	137 Å²	137	94.2 Å²	94.2	64%	0.64	52%	0.524	S	S	*	.			trans	64.9	154.5	139.6	-80.4	169.1	1.9	0	0	123.5
1417	Q	27.2	Very low	29	Very low	161 Å²	161	97 Å²	97	75%	0.752	53%	0.533	S	S	*	.			cis	-163.3	164.6	14.2	-141.6	170.9	-2.7	0	0	117.1
1418	M	26.6	Very low	29.3	Very low	160 Å²	160	102.7 Å²	102.7	79%	0.788	55%	0.553	S	S	*	*			trans	82.2	165.2	160.2	-62.3	-174.6	66.7	0	0	121.8
1419	T	28.1	Very low	29.4	Very low	96 Å²	96	108.1 Å²	108.1	59%	0.589	56%	0.564	S	S	*	*			cis	-179.5	168.7	-34.9	45.2	0	0	0	0	110.6
1420	D	29.7	Very low	29.6	Very low	146 Å²	146	105.6 Å²	105.6	78%	0.781	55%	0.552	S	S	*	*			cis	-174.1	174.2	-28.4	-76.8	-21.2	0	0	0	113.1
1421	E	29.8	Very low	29.8	Very low	175 Å²	175	105.5 Å²	105.5	82%	0.818	56%	0.56	S	S	*	*			trans	74.2	163.9	165.8	-70.8	-143.6	-98	0	0	123.9
1422	N	28.4	Very low	29.7	Very low	125 Å²	125	109.1 Å²	109.1	67%	0.668	58%	0.582	S	S	*	*			cis	-176.9	170.6	-32.6	-166	3.5	0	0	0	115.3
1423	T	29	Very low	29.4	Very low	124 Å²	124	114.7 Å²	114.7	76%	0.761	61%	0.612	S	S	*	*			trans	84.3	166.1	165.8	72.7	0	0	0	0	123.3
1424	S	27.2	Very low	29.5	Very low	99 Å²	99	121 Å²	121	69%	0.692	65%	0.645	S	S	*	*				-166.7	140.7	-82.4	60.2	0	0	0	0	120.1
1425	I	26.9	Very low	29.4	Very low	161 Å²	161	128.9 Å²	128.9	83%	0.826	68%	0.679	S	S	*	*			trans	78.8	130.4	144.6	-63.4	158.9	0	0	0	125.9
1426	S	27	Very low	29.3	Very low	119 Å²	119	134.7 Å²	134.7	83%	0.832	71%	0.71	S	S	*	*				163.6	173.3	128.6	50.2	0	0	0	0	117.5
1427	V	31.6	Very low	29.2	Very low	126 Å²	126	136.2 Å²	136.2	76%	0.764	72%	0.72	S	S	*	*			trans	-147.2	157.7	-153.4	175	0	0	0	0	116.8
1428	H	30.9	Very low	29.2	Very low	180 Å²	180	135.9 Å²	135.9	83%	0.833	72%	0.723	S	S	*	*			trans	-164.6	-169.7	153	-107.2	-63.7	0	0	0	118
1429	R	27.7	Very low	29.1	Very low	178 Å²	178	133.4 Å²	133.4	67%	0.672	72%	0.721	S	S	*	*			trans	-140.4	155.2	-137.1	-60.1	-161	107.2	164.7	8.8	124.1	E1454	R1429-E1454 WeakPolarHBondContact CA-OE2 3.33Å; R1429-E1454 WeakPolarHBondContact CB-OE2 3.25Å; R1429-E1454 WeakPolarHBondContact CG-OE2 3.12Å; R1429-E1454 IonicContact CZ-OE1 2.63Å; R1429-E1454 IonicContact NE-OE1 2.94Å; R1429-E1454 PolarHBondContact NE-OE1 2.91Å; R1429-E1454 IonicContact NE-OE2 3.5Å; R1429-E1454 PolarHBondContact NE-OE2 2.87Å; R1429-E1454 IonicContact NH2-OE1 2.96Å; R1429-E1454 PolarHBondContact NH2-OE1 3.34Å
1430	I	27.3	Very low	28.9	Very low	86 Å²	86	136.4 Å²	136.4	44%	0.441	73%	0.729	S	S	.	*			trans	35.2	0	160	13.2	173.6	0	0	0	124.4	E1454 N1455	I1430-E1454 HydrophobicContact CB-CB 4.42Å; I1430-E1454 HydrophobicContact CG1-CB 4.48Å; I1430-E1454 HydrophobicContact CG2-CB 3.67Å; I1430-E1454 WeakPolarHBondContact CG2-O 3.42Å; I1430-E1454 PolarHBondContact N-OE2 3.18Å; I1430-E1454 VanDerWaalsContact N-OE2 3.17Å; I1430-N1455 HydrophobicContact CG2-CB 4.3Å
1431	P	31.4	Very low	28.7	Very low	94 Å²	94	138.3 Å²	138.3	61%	0.61	73%	0.73	S	S	*	*				0	-152.6	0	37.4	-11.5	0	0	0	119.4
1432	T	31	Very low	28.4	Very low	84 Å²	84	139.3 Å²	139.3	52%	0.515	73%	0.732	S	S	.	*			trans	-111.2	168.4	-157	38.3	0	0	0	0	121.2	N1455	T1432-N1455 HydrophobicContact CG2-CB 3.51Å; T1432-N1455 WeakPolarHBondContact CG2-ND2 3.46Å; T1432-N1455 PolarHBondContact OG1-ND2 3.25Å
1433	D	30.5	Very low	28.3	Very low	132 Å²	132	137.3 Å²	137.3	71%	0.706	73%	0.726	S	S	*	*				163.6	162.3	105	-106.2	-72.5	0	0	0	119.2
1434	N	35.3	Very low	28.3	Very low	131 Å²	131	134 Å²	134	70%	0.701	71%	0.707	S	S	*	*			trans	74.4	159.5	172.5	-65.7	-54.9	0	0	0	120.8
1435	K	30.9	Very low	28.4	Very low	170 Å²	170	134.8 Å²	134.8	74%	0.739	70%	0.703	S	S	*	*			cis	-173.8	137.5	-45.8	-118.4	178.8	-166.5	157	0	112.4
1436	N	28.9	Very low	28.7	Very low	145 Å²	145	132.3 Å²	132.3	78%	0.775	70%	0.697	S	S	*	*			trans	38.3	129.6	158.1	-59.1	2.7	0	0	0	122.6
1437	I	28.8	Very low	28.7	Very low	169 Å²	169	135.9 Å²	135.9	87%	0.867	70%	0.698	S	S	*	*				-177	158.5	114.8	-94.1	160.3	0	0	0	112.2
1438	L	26.2	Very low	28.4	Very low	153 Å²	153	135.4 Å²	135.4	80%	0.801	69%	0.69	S	S	*	*			trans	-74.9	161.3	-160.9	-62.4	107.7	0	0	0	118.6
1439	S	24.1	Very low	28.2	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	68%	0.684	S	S	*	*			trans	101.7	127.2	138.1	71.2	0	0	0	0	121
1440	E	24.3	Very low	28.1	Very low	159 Å²	159	130.3 Å²	130.3	74%	0.743	70%	0.698	S	S	*	*	S	Bend	trans	60.3	121.5	162.8	-59.7	-165.3	-158.8	0	0	121.8	F1442	E1440-F1442 WeakPolarHBondContact O-CD2 3.17Å
1441	K	24.6	Very low	28.2	Very low	187 Å²	187	130.2 Å²	130.2	81%	0.813	70%	0.704	S	S	*	*			trans	47.6	82.2	155.8	-62.1	176.7	-178.5	163.3	0	118.8
1442	F	25.2	Very low	28.2	Very low	196 Å²	196	130.5 Å²	130.5	86%	0.86	70%	0.698	S	S	*	*			trans	-138.5	136.5	159.6	-74.8	-81.3	0	0	0	112.9	E1440	E1440-F1442 WeakPolarHBondContact O-CD2 3.17Å
1443	P	26	Very low	28.2	Very low	83 Å²	83	135.8 Å²	135.8	54%	0.539	71%	0.71	S	S	.	*			trans	-83.6	179.7	172.4	35.6	-34.9	0	0	0	112.5	L1445 E1470	P1443-L1445 PolarHBondContact O-N 3.4Å; P1443-E1470 WeakPolarHBondContact CB-OE2 3.14Å
1444	C	27.6	Very low	28.1	Very low	54 Å²	54	132.1 Å²	132.1	37%	0.365	69%	0.688	S	S	.	*	S	Bend	trans	-75.6	80.2	-162.1	-59.8	0	0	0	0	116.3
1445	L	30.4	Very low	28	Very low	115 Å²	115	129.6 Å²	129.6	60%	0.602	68%	0.675	S	S	*	*			trans	-151.1	145.1	163.5	-102.4	162.6	0	0	0	108.7	P1443 L1471	P1443-L1445 PolarHBondContact O-N 3.4Å; L1445-L1471 HydrophobicContact CD1-CD1 3.83Å; L1445-L1471 HydrophobicContact CD1-CD2 3.77Å; L1445-L1471 HydrophobicContact CD1-CG 4.42Å; L1445-L1471 HydrophobicContact CD2-CD1 4.37Å; L1445-L1471 HydrophobicContact CG-CD1 3.82Å
1446	P	33	Very low	27.9	Very low	109 Å²	109	127 Å²	127	71%	0.708	67%	0.667	S	S	*	*				-151.3	173.8	68.7	38.6	-17.6	0	0	0	118.2
1447	F	26.3	Very low	27.8	Very low	194 Å²	194	127.6 Å²	127.6	85%	0.851	67%	0.671	S	S	*	*			trans	-18.4	126.8	165.2	-57.5	-95.8	0	0	0	119.8
1448	I	25.3	Very low	27.9	Very low	117 Å²	117	129.8 Å²	129.8	60%	0.6	67%	0.668	S	S	*	*			trans	-138.3	145.3	146.2	-61	-175	0	0	0	109.2	Q1452	I1448-Q1452 HydrophobicContact CG2-CB 4.25Å; I1448-Q1452 HydrophobicContact CG2-CG 4.46Å
1449	T	26.9	Very low	27.9	Very low	115 Å²	115	130.7 Å²	130.7	71%	0.706	67%	0.668	S	S	*	*			trans	-87.9	179.3	-177.6	50.7	0	0	0	0	113.7	S1451	T1449-S1451 PolarHBondContact O-N 3.33Å
1450	S	27.1	Very low	28.1	Very low	136 Å²	136	131 Å²	131	95%	0.951	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	31.5	-164.2	50.1	0	0	0	0	117.5
1451	S	29.1	Very low	28.3	Very low	84 Å²	84	133.7 Å²	133.7	59%	0.587	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	0.6	-168.8	58.8	0	0	0	0	117.4	T1449	T1449-S1451 PolarHBondContact O-N 3.33Å
1452	Q	31.1	Very low	28.6	Very low	100 Å²	100	128 Å²	128	47%	0.467	66%	0.658	S	S	.	*			trans	-126.3	32.3	-169.6	-64.6	-169.5	-30.3	0	0	115.6	I1448 E1454	I1448-Q1452 HydrophobicContact CG2-CB 4.25Å; I1448-Q1452 HydrophobicContact CG2-CG 4.46Å; Q1452-E1454 PolarHBondContact O-N 3.4Å
1453	Y	30.2	Very low	28.8	Very low	195 Å²	195	123.8 Å²	123.8	77%	0.765	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	11.8	-165.1	-144.5	-96.1	0	0	0	117.4
1454	E	29.5	Very low	28.9	Very low	55 Å²	55	124 Å²	124	26%	0.257	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.4	27.5	-162.1	-70	-166.8	121.4	0	0	116.3	R1429 I1430 Q1452	R1429-E1454 WeakPolarHBondContact CA-OE2 3.33Å; R1429-E1454 WeakPolarHBondContact CB-OE2 3.25Å; R1429-E1454 WeakPolarHBondContact CG-OE2 3.12Å; R1429-E1454 IonicContact CZ-OE1 2.63Å; R1429-E1454 IonicContact NE-OE1 2.94Å; R1429-E1454 PolarHBondContact NE-OE1 2.91Å; R1429-E1454 IonicContact NE-OE2 3.5Å; R1429-E1454 PolarHBondContact NE-OE2 2.87Å; R1429-E1454 IonicContact NH2-OE1 2.96Å; R1429-E1454 PolarHBondContact NH2-OE1 3.34Å; I1430-E1454 HydrophobicContact CB-CB 4.42Å; I1430-E1454 HydrophobicContact CG1-CB 4.48Å; I1430-E1454 HydrophobicContact CG2-CB 3.67Å; I1430-E1454 WeakPolarHBondContact CG2-O 3.42Å; I1430-E1454 PolarHBondContact N-OE2 3.18Å; I1430-E1454 VanDerWaalsContact N-OE2 3.17Å; Q1452-E1454 PolarHBondContact O-N 3.4Å
1455	N	32.2	Very low	29.1	Very low	78 Å²	78	127.6 Å²	127.6	42%	0.417	66%	0.659	S	S	.	*	S	Bend	trans	-142.5	16.6	178.1	-107.2	-15.4	0	0	0	115.1	I1430 T1432	I1430-N1455 HydrophobicContact CG2-CB 4.3Å; T1432-N1455 HydrophobicContact CG2-CB 3.51Å; T1432-N1455 WeakPolarHBondContact CG2-ND2 3.46Å; T1432-N1455 PolarHBondContact OG1-ND2 3.25Å
1456	I	29.6	Very low	29.2	Very low	114 Å²	114	125.9 Å²	125.9	59%	0.585	65%	0.651	S	S	*	*			trans	-102.2	-1.9	-171.9	-64.1	178.6	0	0	0	113.3	R1458	I1456-R1458 PolarHBondContact O-N 2.72Å
1457	D	26.2	Very low	29.1	Very low	158 Å²	158	124.8 Å²	124.8	85%	0.845	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	6	-174.6	-72.9	-14.4	0	0	0	118
1458	R	30.2	Very low	29.4	Very low	216 Å²	216	121.3 Å²	121.3	82%	0.815	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	-16.9	-171.9	-67.3	-167.5	174.4	-171.6	-3.7	119.6	I1456	I1456-R1458 PolarHBondContact O-N 2.72Å
1459	H	28	Very low	29.7	Very low	172 Å²	172	121.7 Å²	121.7	80%	0.796	63%	0.626	S	S	*	*	S	Bend	trans	-144.8	54.6	-163.5	-64.2	111.3	0	0	0	118
1460	T	27.8	Very low	29.9	Very low	114 Å²	114	122 Å²	122	70%	0.699	62%	0.619	S	S	*	*			trans	-153.9	115.6	156.2	6.9	0	0	0	0	112
1461	F	28.8	Very low	30	Very low	216 Å²	216	119 Å²	119	95%	0.947	59%	0.592	S	S	*	*			trans	-94.5	99.9	170.6	-79.1	-95.4	0	0	0	110
1462	C	30	Very low	30.1	Very low	66 Å²	66	117 Å²	117	45%	0.446	59%	0.585	S	S	.	*			trans	-125.5	136.6	162.9	-61.8	0	0	0	0	107.5	I1467	C1462-I1467 HydrophobicContact CB-CD1 4.45Å
1463	N	30.4	Very low	30.1	Very low	108 Å²	108	116.6 Å²	116.6	58%	0.578	58%	0.58	S	S	*	*			trans	-69.9	150.4	174.6	-80.4	-39.1	0	0	0	110	E1465 D1466	N1463-E1465 PolarHBondContact O-N 3.4Å; N1463-D1466 WeakPolarHBondContact CB-OD2 3.43Å; N1463-D1466 PolarHBondContact N-OD2 2.06Å; N1463-D1466 PolarHBondContact O-N 2.88Å
1464	S	28.1	Very low	30.4	Very low	88 Å²	88	114 Å²	114	62%	0.615	57%	0.569	S	S	*	*	H	α-helix	trans	-56	-34.2	170.4	48.1	0	0	0	0	111.8	D1466 I1468	S1464-D1466 VanDerWaalsContact C-N 3.34Å; S1464-D1466 PolarHBondContact O-N 2.83Å; S1464-I1468 WeakPolarHBondContact O-CB 3.38Å; S1464-I1468 VanDerWaalsContact O-CD1 3.29Å; S1464-I1468 WeakPolarHBondContact O-CD1 3.31Å; S1464-I1468 WeakPolarHBondContact O-CG1 3.43Å; S1464-I1468 PolarHBondContact O-N 3.5Å
1465	E	30.5	Very low	30.6	Very low	129 Å²	129	116.8 Å²	116.8	60%	0.603	58%	0.58	S	S	*	*	H	α-helix	trans	-65.6	-29.9	176.7	-61.6	-173.4	139.1	0	0	113.5	N1463 H1469	N1463-E1465 PolarHBondContact O-N 3.4Å; E1465-H1469 PolarHBondContact O-N 2.72Å
1466	D	34	Very low	31	Very low	80 Å²	80	116.2 Å²	116.2	43%	0.428	58%	0.575	S	S	.	*	H	α-helix	trans	-75.6	-40.6	-179.6	-60.4	-43.5	0	0	0	111.6	N1463 S1464 I1468 H1469	N1463-D1466 WeakPolarHBondContact CB-OD2 3.43Å; N1463-D1466 PolarHBondContact N-OD2 2.06Å; N1463-D1466 PolarHBondContact O-N 2.88Å; S1464-D1466 VanDerWaalsContact C-N 3.34Å; S1464-D1466 PolarHBondContact O-N 2.83Å; D1466-I1468 VanDerWaalsContact C-N 3.31Å; D1466-I1468 PolarHBondContact O-N 2.72Å; D1466-H1469 PolarHBondContact O-N 3.08Å
1467	I	30.4	Very low	31.3	Very low	86 Å²	86	114.5 Å²	114.5	44%	0.441	57%	0.569	S	S	.	*	H	α-helix	trans	-68.6	-33.8	176.2	-61.2	175.6	0	0	0	110.9	C1462 H1469	C1462-I1467 HydrophobicContact CB-CD1 4.45Å; I1467-H1469 PolarHBondContact O-N 2.51Å
1468	I	31.5	Very low	32.1	Very low	121 Å²	121	110.4 Å²	110.4	62%	0.621	55%	0.551	S	S	*	*	H	α-helix	trans	-63.1	-24.1	174.2	-75.5	167.1	0	0	0	112.1	S1464 D1466	S1464-I1468 WeakPolarHBondContact O-CB 3.38Å; S1464-I1468 VanDerWaalsContact O-CD1 3.29Å; S1464-I1468 WeakPolarHBondContact O-CD1 3.31Å; S1464-I1468 WeakPolarHBondContact O-CG1 3.43Å; S1464-I1468 PolarHBondContact O-N 3.5Å; D1466-I1468 VanDerWaalsContact C-N 3.31Å; D1466-I1468 PolarHBondContact O-N 2.72Å
1469	H	31.6	Very low	32.6	Very low	125 Å²	125	102.9 Å²	102.9	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-94.4	-14.6	-166.8	-133.7	-67	0	0	0	116	E1465 D1466 I1467	E1465-H1469 PolarHBondContact O-N 2.72Å; D1466-H1469 PolarHBondContact O-N 3.08Å; I1467-H1469 PolarHBondContact O-N 2.51Å
1470	E	31.9	Very low	33.1	Very low	121 Å²	121	98.5 Å²	98.5	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-110.4	-30	-174.5	-74.2	-85.8	117.8	0	0	114.9	P1443	P1443-E1470 WeakPolarHBondContact CB-OE2 3.14Å
1471	L	29.3	Very low	33.5	Very low	73 Å²	73	97.2 Å²	97.2	38%	0.382	51%	0.512	S	S	.	.	S	Bend	trans	-128.5	-2.7	-163.4	-64.5	172.4	0	0	0	117.2	L1445 Y1473	L1445-L1471 HydrophobicContact CD1-CD1 3.83Å; L1445-L1471 HydrophobicContact CD1-CD2 3.77Å; L1445-L1471 HydrophobicContact CD1-CG 4.42Å; L1445-L1471 HydrophobicContact CD2-CD1 4.37Å; L1445-L1471 HydrophobicContact CG-CD1 3.82Å; L1471-Y1473 HydrophobicContact CB-CD2 4Å; L1471-Y1473 HydrophobicContact CB-CE2 4.32Å; L1471-Y1473 PolarHBondContact O-N 3.38Å
1472	G	31.2	Very low	33.8	Very low	42 Å²	42	94.4 Å²	94.4	43%	0.433	50%	0.501	S	S	.	.			trans	67.7	-9	171.5	0	0	0	0	0	117.7	R1474 V1497	G1472-R1474 PolarHBondContact O-N 2.79Å; G1472-V1497 WeakPolarHBondContact O-CB 3.31Å; G1472-V1497 WeakPolarHBondContact O-CG2 3.24Å
1473	Y	29.7	Very low	34.1	Very low	92 Å²	92	95.2 Å²	95.2	36%	0.361	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-63.1	124.2	176.8	-66.2	-64.8	0	0	0	111.9	L1471 E1763	L1471-Y1473 HydrophobicContact CB-CD2 4Å; L1471-Y1473 HydrophobicContact CB-CE2 4.32Å; L1471-Y1473 PolarHBondContact O-N 3.38Å; Y1473-E1763 PolarHBondContact OH-OE1 2.85Å; Y1473-E1763 PolarHBondContact OH-OE2 2.99Å
1474	R	36.6	Very low	34.2	Very low	141 Å²	141	96 Å²	96	53%	0.532	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.9	163.4	-88.1	-169.4	170.3	-166	-2.8	109.8	G1472 I1495 N1537	G1472-R1474 PolarHBondContact O-N 2.79Å; R1474-I1495 HydrophobicContact CB-CB 4.45Å; R1474-I1495 PolarHBondContact N-O 3.47Å; R1474-I1495 VanDerWaalsContact N-O 3.17Å; R1474-I1495 WeakPolarHBondContact O-CA 3.34Å; R1474-I1495 VanDerWaalsContact O-CB 3.26Å; R1474-I1495 WeakPolarHBondContact O-CB 3.42Å; R1474-I1495 PolarHBondContact O-N 2.82Å; R1474-N1537 PolarHBondContact NH1-OD1 2.66Å; R1474-N1537 VanDerWaalsContact NH1-OD1 3.17Å
1475	F	35.4	Very low	34.5	Very low	112 Å²	112	100.4 Å²	100.4	49%	0.491	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.2	168.8	-68.2	-83.1	0	0	0	111	C1492 V1493 P1494	F1475-C1492 HydrophobicContact CB-CB 3.8Å; F1475-C1492 HydrophobicContact CD1-CB 3.83Å; F1475-C1492 HydrophobicContact CG-CB 4.07Å; F1475-V1493 WeakPolarHBondContact CA-O 3.35Å; F1475-P1494 HydrophobicContact CD1-CB 4.16Å; F1475-P1494 HydrophobicContact CE1-CB 3.82Å; F1475-P1494 HydrophobicContact CE1-CG 4.44Å; F1475-P1494 HydrophobicContact CZ-CB 4.48Å
1476	Q	39.7	Very low	34.4	Very low	66 Å²	66	101.4 Å²	101.4	31%	0.308	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.2	168.1	174.2	178.8	1.4	0	0	109.9	T1478 C1492 V1493 I1495 K1540	Q1476-T1478 HydrophobicContact CG-CG2 4.38Å; Q1476-T1478 PolarHBondContact O-N 3.34Å; Q1476-C1492 WeakPolarHBondContact O-CA 3.48Å; Q1476-V1493 PolarHBondContact N-O 3.48Å; Q1476-V1493 PolarHBondContact O-N 3.46Å; Q1476-I1495 HydrophobicContact CB-CD1 3.99Å; Q1476-K1540 VanDerWaalsContact OE1-CD 3.27Å
1477	V	36.6	Very low	34.5	Very low	78 Å²	78	102.6 Å²	102.6	47%	0.473	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	124.5	164.4	174.7	0	0	0	0	109.6	I1491	V1477-I1491 CarbonylContact C-O 3.43Å; V1477-I1491 WeakPolarHBondContact CA-O 3.34Å
1478	T	42.6	Very low	34.6	Very low	73 Å²	73	103.8 Å²	103.8	45%	0.448	55%	0.55	S	S	.	*			trans	-110.4	-26	-174.9	55.3	0	0	0	0	115.3	Q1476 I1491 V1493	Q1476-T1478 HydrophobicContact CG-CG2 4.38Å; Q1476-T1478 PolarHBondContact O-N 3.34Å; T1478-I1491 PolarHBondContact N-O 2.95Å; T1478-I1491 PolarHBondContact OG1-O 3.11Å; T1478-V1493 HydrophobicContact CG2-CB 4.16Å; T1478-V1493 HydrophobicContact CG2-CG2 3.59Å
1479	S	41.2	Very low	34.6	Very low	57 Å²	57	104.6 Å²	104.6	40%	0.399	56%	0.556	S	S	.	*			trans	-161.1	120	172.4	59.9	0	0	0	0	112.6	G1490	S1479-G1490 WeakPolarHBondContact O-CA 3.49Å
1480	S	38.8	Very low	34.8	Very low	81 Å²	81	99.1 Å²	99.1	57%	0.566	53%	0.533	S	S	*	.			trans	-80.4	147.7	166.1	49.9	0	0	0	0	111
1481	V	35.9	Very low	34.8	Very low	87 Å²	87	97.9 Å²	97.9	53%	0.527	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.6	-179	-173.8	0	0	0	0	109.2	V1483	V1481-V1483 HydrophobicContact CG1-CG2 3.99Å
1482	H	35	Very low	35	Very low	157 Å²	157	97.3 Å²	97.3	73%	0.727	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.6	172.5	-72.7	-77.1	0	0	0	110.4
1483	V	35.7	Very low	35.1	Very low	82 Å²	82	98.6 Å²	98.6	50%	0.497	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	113.5	170.5	-173.2	0	0	0	0	108	V1481	V1481-V1483 HydrophobicContact CG1-CG2 3.99Å
1484	T	33.5	Very low	35.1	Very low	126 Å²	126	97.9 Å²	97.9	77%	0.773	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	41	84.4	171.1	52.6	0	0	0	0	115.6	E1486	T1484-E1486 PolarHBondContact O-N 2.04Å
1485	D	34.5	Very low	35.2	Very low	180 Å²	180	93.8 Å²	93.8	96%	0.963	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-5.5	169.6	-56.5	-21.3	0	0	0	118.1
1486	E	26.8	Very low	35.1	Very low	150 Å²	150	91.6 Å²	91.6	70%	0.701	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	140	170.3	-64.9	-175	163.9	0	0	111.6	T1484	T1484-E1486 PolarHBondContact O-N 2.04Å
1487	T	35.8	Very low	35	Very low	105 Å²	105	90.8 Å²	90.8	64%	0.644	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.1	174	42.4	0	0	0	0	110.5
1488	I	32.7	Very low	34.8	Very low	111 Å²	111	88.5 Å²	88.5	57%	0.569	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.7	171.4	-57.1	176.9	0	0	0	108.6
1489	D	33	Very low	34.5	Very low	138 Å²	138	89.4 Å²	89.4	74%	0.738	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-68.9	144.7	173.4	-91.1	-41.8	0	0	0	111.7
1490	G	35.5	Very low	34.6	Very low	10 Å²	10	88.5 Å²	88.5	10%	0.103	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-85.3	169.5	-150.2	0	0	0	0	0	118.1	S1479 C1492	S1479-G1490 WeakPolarHBondContact O-CA 3.49Å; G1490-C1492 PolarHBondContact O-N 2.75Å
1491	I	32.2	Very low	34.5	Very low	95 Å²	95	86.9 Å²	86.9	49%	0.487	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-47.7	128.8	-178.4	-60.3	172.2	0	0	0	112	V1477 T1478	V1477-I1491 CarbonylContact C-O 3.43Å; V1477-I1491 WeakPolarHBondContact CA-O 3.34Å; T1478-I1491 PolarHBondContact N-O 2.95Å; T1478-I1491 PolarHBondContact OG1-O 3.11Å
1492	C	32.8	Very low	34.6	Very low	60 Å²	60	88.8 Å²	88.8	41%	0.405	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124	-177.5	-82.2	0	0	0	0	112.9	F1475 Q1476 G1490	F1475-C1492 HydrophobicContact CB-CB 3.8Å; F1475-C1492 HydrophobicContact CD1-CB 3.83Å; F1475-C1492 HydrophobicContact CG-CB 4.07Å; Q1476-C1492 WeakPolarHBondContact O-CA 3.48Å; G1490-C1492 PolarHBondContact O-N 2.75Å
1493	V	34	Very low	34.7	Very low	70 Å²	70	86.4 Å²	86.4	42%	0.424	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.5	174.5	-179.7	0	0	0	0	110.2	F1475 Q1476 T1478	F1475-V1493 WeakPolarHBondContact CA-O 3.35Å; Q1476-V1493 PolarHBondContact N-O 3.48Å; Q1476-V1493 PolarHBondContact O-N 3.46Å; T1478-V1493 HydrophobicContact CG2-CB 4.16Å; T1478-V1493 HydrophobicContact CG2-CG2 3.59Å
1494	P	29.7	Very low	34.5	Very low	77 Å²	77	83 Å²	83	50%	0.5	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	148.6	-175.7	28.6	-35.4	0	0	0	113.5	F1475	F1475-P1494 HydrophobicContact CD1-CB 4.16Å; F1475-P1494 HydrophobicContact CE1-CB 3.82Å; F1475-P1494 HydrophobicContact CE1-CG 4.44Å; F1475-P1494 HydrophobicContact CZ-CB 4.48Å
1495	I	38.3	Very low	34.6	Very low	54 Å²	54	83.8 Å²	83.8	28%	0.277	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.8	175.3	-55.1	177.8	0	0	0	108.8	R1474 Q1476	R1474-I1495 HydrophobicContact CB-CB 4.45Å; R1474-I1495 PolarHBondContact N-O 3.47Å; R1474-I1495 VanDerWaalsContact N-O 3.17Å; R1474-I1495 WeakPolarHBondContact O-CA 3.34Å; R1474-I1495 VanDerWaalsContact O-CB 3.26Å; R1474-I1495 WeakPolarHBondContact O-CB 3.42Å; R1474-I1495 PolarHBondContact O-N 2.82Å; Q1476-I1495 HydrophobicContact CB-CD1 3.99Å
1496	L	33.1	Very low	34.6	Very low	66 Å²	66	81.5 Å²	81.5	35%	0.346	43%	0.432	S	S	.	.			trans	-64.8	138	174.1	-84.2	149.8	0	0	0	112.6	V1761 E1763	L1496-V1761 HydrophobicContact CD1-CB 4.38Å; L1496-V1761 HydrophobicContact CD1-CG1 3.78Å; L1496-V1761 HydrophobicContact CD1-CG2 3.94Å; L1496-V1761 HydrophobicContact CD2-CG1 3.84Å; L1496-V1761 HydrophobicContact CG-CG1 4.46Å; L1496-E1763 HydrophobicContact CD2-CG 4.1Å; L1496-E1763 WeakPolarHBondContact CD2-OE1 3.47Å
1497	V	37.5	Very low	35	Very low	49 Å²	49	74.9 Å²	74.9	30%	0.297	40%	0.401	S	S	.	.			trans	-120.9	132.8	175.8	171.4	0	0	0	0	109.2	G1472	G1472-V1497 WeakPolarHBondContact O-CB 3.31Å; G1472-V1497 WeakPolarHBondContact O-CG2 3.24Å
1498	P	32	Very low	34.7	Very low	31 Å²	31	72.2 Å²	72.2	20%	0.201	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-73	138.2	178.5	29.4	-34.4	0	0	0	113.6	F1523 C1533 L1729	P1498-F1523 HydrophobicContact CB-CE2 4.2Å; P1498-C1533 HydrophobicContact CG-CB 3.91Å; P1498-L1729 HydrophobicContact CB-CD2 4.04Å
1499	I	36.3	Very low	34.5	Very low	91 Å²	91	69 Å²	69	47%	0.467	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-75.4	123.4	169.7	-58.3	175.3	0	0	0	108.2	L1729	I1499-L1729 HydrophobicContact CB-CB 4.33Å; I1499-L1729 HydrophobicContact CD1-CB 4.25Å; I1499-L1729 HydrophobicContact CG1-CB 4.21Å
1500	C	42.9	Very low	34.4	Very low	38 Å²	38	69.5 Å²	69.5	26%	0.257	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-100.1	152.8	-177.5	-52.4	0	0	0	0	111.6	E1526 C1529	C1500-E1526 HydrophobicContact CB-CB 4.46Å; C1500-E1526 HydrophobicContact CB-CG 4.08Å; C1500-C1529 WeakPolarHBondContact CA-SG 3.44Å; C1500-C1529 HydrophobicContact CB-CB 3.66Å; C1500-C1529 WeakPolarHBondContact CB-SG 3.16Å; C1500-C1529 WeakPolarHBondContact SG-CB 3.16Å; C1500-C1529 CovalentContact SG-SG 2.04Å; C1500-C1529 PolarHBondContact SG-SG 3.19Å
1501	L	37.5	Very low	34.2	Very low	48 Å²	48	73.5 Å²	73.5	25%	0.251	39%	0.39	S	S	.	.			trans	-131	147.1	-170.7	-61.2	167.8	0	0	0	111.8	P1504 E1526 P1725 W1867	L1501-P1504 WeakPolarHBondContact O-CD 3.4Å; L1501-E1526 PolarHBondContact O-N 2.99Å; L1501-P1725 HydrophobicContact CD1-CG 3.56Å; L1501-P1725 HydrophobicContact CD2-CG 3.66Å; L1501-P1725 HydrophobicContact CG-CG 4.24Å; L1501-W1867 HydrophobicContact CD1-CH2 4.46Å; L1501-W1867 HydrophobicContact CD1-CZ3 4.27Å
1502	N	38.8	Very low	34.1	Very low	126 Å²	126	74.8 Å²	74.8	67%	0.674	40%	0.398	S	S	*	.	S	Bend	trans	-84.9	-31.2	-163.7	-62.6	0.4	0	0	0	114.9
1503	E	36.6	Very low	34	Very low	107 Å²	107	74.1 Å²	74.1	50%	0.5	39%	0.392	S	S	.	.			trans	-126.4	47.3	-178.2	-65.1	-158.7	-179.9	0	0	116.2	Q1505 R1506	E1503-Q1505 VanDerWaalsContact C-N 3.25Å; E1503-Q1505 PolarHBondContact O-N 3.4Å; E1503-Q1505 VanDerWaalsContact O-N 3.1Å; E1503-R1506 PolarHBondContact O-N 2.83Å; E1503-R1506 VanDerWaalsContact OE2-CD 3.3Å; E1503-R1506 WeakPolarHBondContact OE2-CD 3.47Å; E1503-R1506 IonicContact OE2-CZ 3.28Å; E1503-R1506 IonicContact OE2-NE 2.9Å; E1503-R1506 IonicContact OE2-NH1 3.98Å; E1503-R1506 PolarHBondContact OE2-NH1 3.04Å
1504	P	31.7	Very low	33.8	Very low	11 Å²	11	80.5 Å²	80.5	7%	0.071	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-65.8	-15.1	-174.6	28.3	-38	0	0	0	115.9	L1501 R1506 L1507 F1523 K1524	L1501-P1504 WeakPolarHBondContact O-CD 3.4Å; P1504-R1506 PolarHBondContact O-N 3.45Å; P1504-L1507 WeakPolarHBondContact O-CB 3.13Å; P1504-L1507 PolarHBondContact O-N 3.24Å; P1504-F1523 WeakPolarHBondContact CB-O 3.13Å; P1504-F1523 WeakPolarHBondContact CG-O 3.27Å; P1504-K1524 WeakPolarHBondContact CG-O 3.36Å
1505	Q	35.5	Very low	34	Very low	142 Å²	142	82.2 Å²	82.2	66%	0.664	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-71.5	-15	175.2	-63.8	-157.6	-95.2	0	0	113.7	E1503 L1507 K1524	E1503-Q1505 VanDerWaalsContact C-N 3.25Å; E1503-Q1505 PolarHBondContact O-N 3.4Å; E1503-Q1505 VanDerWaalsContact O-N 3.1Å; Q1505-L1507 VanDerWaalsContact C-N 3.3Å; Q1505-K1524 WeakPolarHBondContact CG-O 3.24Å
1506	R	33.1	Very low	33.6	Very low	133 Å²	133	81.8 Å²	81.8	50%	0.502	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-84.6	-5.7	174.6	-110	165.8	163.7	-178.7	-13.7	112.9	E1503 P1504 I1866	E1503-R1506 PolarHBondContact O-N 2.83Å; E1503-R1506 VanDerWaalsContact OE2-CD 3.3Å; E1503-R1506 WeakPolarHBondContact OE2-CD 3.47Å; E1503-R1506 IonicContact OE2-CZ 3.28Å; E1503-R1506 IonicContact OE2-NE 2.9Å; E1503-R1506 IonicContact OE2-NH1 3.98Å; E1503-R1506 PolarHBondContact OE2-NH1 3.04Å; P1504-R1506 PolarHBondContact O-N 3.45Å; R1506-I1866 HydrophobicContact CB-CB 4.17Å; R1506-I1866 HydrophobicContact CB-CG2 3.72Å; R1506-I1866 HydrophobicContact CG-CG2 3.96Å
1507	L	35.7	Very low	33.6	Very low	10 Å²	10	84.4 Å²	84.4	5%	0.052	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-42.8	-152.4	-95.6	159.3	0	0	0	116.3	P1504 Q1505 M1723 I1866 W1867	P1504-L1507 WeakPolarHBondContact O-CB 3.13Å; P1504-L1507 PolarHBondContact O-N 3.24Å; Q1505-L1507 VanDerWaalsContact C-N 3.3Å; L1507-M1723 VanDerWaalsContact O-CE 3.31Å; L1507-M1723 WeakPolarHBondContact O-CE 3.27Å; L1507-I1866 HydrophobicContact CB-CD1 4.45Å; L1507-I1866 HydrophobicContact CD2-CB 4.29Å; L1507-I1866 HydrophobicContact CD2-CD1 3.26Å; L1507-I1866 HydrophobicContact CD2-CG1 3.58Å; L1507-I1866 HydrophobicContact CG-CB 4.14Å; L1507-I1866 HydrophobicContact CG-CD1 3.71Å; L1507-I1866 HydrophobicContact CG-CG1 3.98Å; L1507-W1867 HydrophobicContact CD1-CE3 4.19Å; L1507-W1867 HydrophobicContact CD1-CH2 3.78Å; L1507-W1867 HydrophobicContact CD1-CZ2 4.34Å; L1507-W1867 HydrophobicContact CD1-CZ3 3.67Å; L1507-W1867 HydrophobicContact CD2-CD2 4.17Å; L1507-W1867 HydrophobicContact CD2-CE3 4.4Å; L1507-W1867 HydrophobicContact CD2-CH2 3.56Å; L1507-W1867 HydrophobicContact CD2-CZ2 3.26Å; L1507-W1867 HydrophobicContact CD2-CZ3 4.1Å; L1507-W1867 HydrophobicContact CG-CH2 4.35Å; L1507-W1867 HydrophobicContact CG-CZ2 4.46Å
1508	Y	30.8	Very low	33.1	Very low	50 Å²	50	87 Å²	87	20%	0.196	43%	0.434	C	S	.	.			trans	-129.1	148.2	-171.3	-50.1	-52.2	0	0	0	114.7	V1522 M1723 V1724 W1867	Y1508-V1522 HydrophobicContact CD2-CB 3.52Å; Y1508-V1522 HydrophobicContact CD2-CG1 3.49Å; Y1508-V1522 VanDerWaalsContact CD2-CG1 3.49Å; Y1508-V1522 HydrophobicContact CD2-CG2 3.62Å; Y1508-V1522 HydrophobicContact CE2-CB 3.73Å; Y1508-V1522 HydrophobicContact CE2-CG1 3.2Å; Y1508-V1522 HydrophobicContact CE2-CG2 3.73Å; Y1508-V1522 HydrophobicContact CG-CG2 4.31Å; Y1508-M1723 HydrophobicContact CD1-CB 4Å; Y1508-M1723 HydrophobicContact CD1-CE 4.43Å; Y1508-M1723 HydrophobicContact CD1-CG 3.67Å; Y1508-M1723 HydrophobicContact CD1-SD 4.27Å; Y1508-M1723 HydrophobicContact CE1-CB 3.27Å; Y1508-M1723 HydrophobicContact CE1-CG 3.36Å; Y1508-M1723 WeakPolarHBondContact CE1-O 2.87Å; Y1508-M1723 HydrophobicContact CE1-SD 3.82Å; Y1508-M1723 PolarHBondContact OH-O 3.09Å; Y1508-V1724 PolarHBondContact OH-N 3.05Å; Y1508-W1867 WeakPolarHBondContact OH-CH2 3.09Å; Y1508-W1867 WeakPolarHBondContact OH-CZ2 3.04Å
1509	G	28.5	Very low	32.8	Very low	42 Å²	42	86.1 Å²	86.1	43%	0.433	43%	0.427	S	S	.	.			trans	-77.3	-177.4	-177.1	0	0	0	0	0	114.5	L1511 H1719	G1509-L1511 PolarHBondContact O-N 2.86Å; G1509-H1719 CarbonylContact C-O 2.97Å; G1509-H1719 WeakPolarHBondContact CA-O 3.17Å
1510	Q	31.1	Very low	32.5	Very low	149 Å²	149	82.2 Å²	82.2	70%	0.696	41%	0.41	S	S	*	.			trans	-87	85.8	-171.9	-65.7	-174.9	-5.4	0	0	112.8	N1512 H1719	Q1510-N1512 WeakPolarHBondContact O-CB 2.96Å; Q1510-N1512 PolarHBondContact O-N 3.47Å; Q1510-N1512 VanDerWaalsContact O-N 3.12Å; Q1510-H1719 PolarHBondContact N-O 2.82Å
1511	L	30.6	Very low	32	Very low	94 Å²	94	86 Å²	86	49%	0.492	42%	0.418	S	S	.	.			trans	-61.6	107.7	157.7	-90.4	159.4	0	0	0	109.4	G1509 D1720 I1722	G1509-L1511 PolarHBondContact O-N 2.86Å; L1511-D1720 WeakPolarHBondContact CA-OD1 3.41Å; L1511-D1720 HydrophobicContact CD2-CB 3.92Å; L1511-D1720 WeakPolarHBondContact CD2-OD1 3.02Å; L1511-D1720 HydrophobicContact CG-CB 4.22Å; L1511-I1722 HydrophobicContact CD1-CG1 4.25Å
1512	N	30.6	Very low	31.8	Very low	123 Å²	123	85.7 Å²	85.7	66%	0.658	42%	0.418	S	S	*	.			trans	-119.1	38.4	-158.7	-152.5	9.9	0	0	0	114.9	Q1510	Q1510-N1512 WeakPolarHBondContact O-CB 2.96Å; Q1510-N1512 PolarHBondContact O-N 3.47Å; Q1510-N1512 VanDerWaalsContact O-N 3.12Å
1513	T	30.2	Very low	32	Very low	46 Å²	46	81.4 Å²	81.4	28%	0.282	39%	0.394	S	S	.	.			trans	-128.8	133.3	179.2	37.5	0	0	0	0	112	E1515 S1516	T1513-E1515 PolarHBondContact O-N 2.71Å; T1513-S1516 PolarHBondContact OG1-OG 3.03Å
1514	Y	30.3	Very low	32	Very low	203 Å²	203	83 Å²	83	80%	0.796	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.6	-169.8	-141.5	-86	0	0	0	114.2	Q1517	Y1514-Q1517 WeakPolarHBondContact O-CG 3.4Å; Y1514-Q1517 PolarHBondContact O-NE2 2.83Å
1515	E	32.9	Very low	32.4	Very low	114 Å²	114	83.1 Å²	83.1	53%	0.533	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-9.3	-171	-65.2	171.4	156.7	0	0	112.6	T1513 Q1517 M1710	T1513-E1515 PolarHBondContact O-N 2.71Å; E1515-Q1517 VanDerWaalsContact C-N 3.33Å; E1515-Q1517 PolarHBondContact O-N 3.18Å; E1515-M1710 VanDerWaalsContact OE1-CE 3.27Å; E1515-M1710 WeakPolarHBondContact OE1-CE 3.07Å
1516	S	30.9	Very low	32.6	Very low	44 Å²	44	79.5 Å²	79.5	31%	0.308	38%	0.383	S	S	.	.			trans	-86.2	2.3	-178.9	-47.7	0	0	0	0	114.2	T1513 M1518 I1519	T1513-S1516 PolarHBondContact OG1-OG 3.03Å; S1516-M1518 PolarHBondContact O-N 2.02Å; S1516-I1519 PolarHBondContact O-N 2.79Å
1517	Q	32.6	Very low	33.1	Very low	121 Å²	121	73.2 Å²	73.2	57%	0.565	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-1.7	-162	-65.3	-176.3	0.9	0	0	116.9	Y1514 E1515	Y1514-Q1517 WeakPolarHBondContact O-CG 3.4Å; Y1514-Q1517 PolarHBondContact O-NE2 2.83Å; E1515-Q1517 VanDerWaalsContact C-N 3.33Å; E1515-Q1517 PolarHBondContact O-N 3.18Å
1518	M	27	Very low	33.5	Very low	105 Å²	105	74.3 Å²	74.3	52%	0.517	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	1.7	-176.3	-85.1	-174	164.5	0	0	114.2	S1516 S1733 P1735	S1516-M1518 PolarHBondContact O-N 2.02Å; M1518-S1733 PolarHBondContact O-OG 2.77Å; M1518-P1735 HydrophobicContact CB-CB 4.35Å; M1518-P1735 HydrophobicContact CB-CG 3.88Å; M1518-P1735 HydrophobicContact SD-CB 3.52Å; M1518-P1735 VanDerWaalsContact SD-CB 3.52Å; M1518-P1735 HydrophobicContact SD-CG 4.01Å
1519	I	26.2	Very low	34.1	Very low	12 Å²	12	72 Å²	72	6%	0.062	36%	0.355	C	S	.	.	S	Bend	trans	-136.6	128.4	-164.3	-29.6	177.5	0	0	0	111.2	S1516 R1521 L1732 S1733 P1735 W1745 Y1788 F1790	S1516-I1519 PolarHBondContact O-N 2.79Å; I1519-R1521 VanDerWaalsContact C-N 3.31Å; I1519-R1521 PolarHBondContact O-N 3.31Å; I1519-L1732 HydrophobicContact CG2-CB 3.67Å; I1519-L1732 HydrophobicContact CG2-CD2 4.36Å; I1519-L1732 HydrophobicContact CG2-CG 4.47Å; I1519-S1733 WeakPolarHBondContact CD1-O 3.47Å; I1519-S1733 VanDerWaalsContact CG1-O 3.25Å; I1519-S1733 WeakPolarHBondContact CG1-O 3.37Å; I1519-S1733 WeakPolarHBondContact CG2-O 3.42Å; I1519-P1735 HydrophobicContact CD1-CG 4.32Å; I1519-P1735 HydrophobicContact CG1-CG 4.46Å; I1519-W1745 HydrophobicContact CG2-CH2 4.44Å; I1519-Y1788 HydrophobicContact CD1-CD1 3.58Å; I1519-Y1788 HydrophobicContact CD1-CD2 3.56Å; I1519-Y1788 HydrophobicContact CD1-CE1 4.03Å; I1519-Y1788 HydrophobicContact CD1-CE2 4.03Å; I1519-Y1788 HydrophobicContact CD1-CG 3.32Å; I1519-F1790 HydrophobicContact CB-CD1 4.33Å; I1519-F1790 HydrophobicContact CB-CE1 3.52Å; I1519-F1790 HydrophobicContact CB-CZ 3.83Å; I1519-F1790 HydrophobicContact CD1-CE1 3.82Å; I1519-F1790 HydrophobicContact CD1-CZ 3.61Å; I1519-F1790 HydrophobicContact CG1-CE1 4.25Å; I1519-F1790 HydrophobicContact CG1-CZ 4.29Å; I1519-F1790 HydrophobicContact CG2-CD1 3.92Å; I1519-F1790 HydrophobicContact CG2-CD2 4.41Å; I1519-F1790 HydrophobicContact CG2-CE1 3.23Å; I1519-F1790 HydrophobicContact CG2-CE2 3.79Å; I1519-F1790 HydrophobicContact CG2-CG 4.47Å; I1519-F1790 HydrophobicContact CG2-CZ 3.15Å
1520	G	28.8	Very low	34.9	Very low	9 Å²	9	73.7 Å²	73.7	9%	0.093	35%	0.352	C	S	.	.	S	Bend	trans	67.1	30.7	178.4	0	0	0	0	0	114.1	V1522	G1520-V1522 PolarHBondContact O-N 2.87Å
1521	R	32.6	Very low	35.7	Very low	117 Å²	117	68.1 Å²	68.1	44%	0.442	33%	0.326	S	S	.	.			trans	-72.9	88.1	-174.7	-167.7	175.6	-172.1	179.8	4.2	110.9	I1519 F1523 E1528	I1519-R1521 VanDerWaalsContact C-N 3.31Å; I1519-R1521 PolarHBondContact O-N 3.31Å; R1521-F1523 HydrophobicContact CB-CE1 4.32Å; R1521-F1523 HydrophobicContact CG-CD1 4.07Å; R1521-F1523 HydrophobicContact CG-CE1 4.01Å; R1521-F1523 PolarHBondContact O-N 3.07Å; R1521-E1528 IonicContact CZ-OE1 3.63Å; R1521-E1528 IonicContact NE-OE1 3.74Å; R1521-E1528 PolarHBondContact NE-OE1 3.3Å; R1521-E1528 IonicContact NH2-OE1 2.74Å; R1521-E1528 PolarHBondContact NH2-OE1 3.29Å
1522	V	33.6	Very low	36.3	Very low	41 Å²	41	65.4 Å²	65.4	25%	0.248	31%	0.313	C	S	.	.			trans	-70.8	123.4	160.1	-161.5	0	0	0	0	108.4	Y1508 G1520 I1722	Y1508-V1522 HydrophobicContact CD2-CB 3.52Å; Y1508-V1522 HydrophobicContact CD2-CG1 3.49Å; Y1508-V1522 VanDerWaalsContact CD2-CG1 3.49Å; Y1508-V1522 HydrophobicContact CD2-CG2 3.62Å; Y1508-V1522 HydrophobicContact CE2-CB 3.73Å; Y1508-V1522 HydrophobicContact CE2-CG1 3.2Å; Y1508-V1522 HydrophobicContact CE2-CG2 3.73Å; Y1508-V1522 HydrophobicContact CG-CG2 4.31Å; G1520-V1522 PolarHBondContact O-N 2.87Å; V1522-I1722 HydrophobicContact CG2-CG2 3.72Å
1523	F	42	Very low	36.6	Very low	36 Å²	36	60.7 Å²	60.7	16%	0.158	29%	0.29	C	S	.	.			trans	-75.3	126.2	-172.5	-55.4	-66.8	0	0	0	110.4	P1498 P1504 R1521 T1525 E1528 C1529 T1532	P1498-F1523 HydrophobicContact CB-CE2 4.2Å; P1504-F1523 WeakPolarHBondContact CB-O 3.13Å; P1504-F1523 WeakPolarHBondContact CG-O 3.27Å; R1521-F1523 HydrophobicContact CB-CE1 4.32Å; R1521-F1523 HydrophobicContact CG-CD1 4.07Å; R1521-F1523 HydrophobicContact CG-CE1 4.01Å; R1521-F1523 PolarHBondContact O-N 3.07Å; F1523-T1525 WeakPolarHBondContact CB-O 3.38Å; F1523-T1525 PolarHBondContact O-N 2.88Å; F1523-T1525 VanDerWaalsContact O-N 3.14Å; F1523-E1528 HydrophobicContact CB-CB 3.97Å; F1523-E1528 VanDerWaalsContact CD1-C 3.43Å; F1523-E1528 HydrophobicContact CD1-CB 4.34Å; F1523-E1528 HydrophobicContact CD1-CG 4.17Å; F1523-E1528 WeakPolarHBondContact CD1-O 3.03Å; F1523-C1529 HydrophobicContact CB-CB 3.67Å; F1523-C1529 HydrophobicContact CD1-CB 4.25Å; F1523-C1529 HydrophobicContact CD2-CB 3.28Å; F1523-C1529 HydrophobicContact CE2-CB 3.93Å; F1523-C1529 HydrophobicContact CG-CB 3.45Å; F1523-C1529 VanDerWaalsContact CG-CB 3.45Å; F1523-T1532 HydrophobicContact CE1-CG2 3.86Å; F1523-T1532 VanDerWaalsContact CE1-OG1 3.31Å; F1523-T1532 WeakPolarHBondContact CE1-OG1 3.37Å; F1523-T1532 HydrophobicContact CZ-CG2 4.08Å
1524	K	38	Very low	37.2	Very low	141 Å²	141	62.8 Å²	62.8	61%	0.613	30%	0.299	S	S	*	.	S	Bend	trans	-69.1	-6	-176.9	-68.4	175.2	177	174.2	0	114.5	P1504 Q1505 E1528	P1504-K1524 WeakPolarHBondContact CG-O 3.36Å; Q1505-K1524 WeakPolarHBondContact CG-O 3.24Å; K1524-E1528 WeakPolarHBondContact CB-OE2 3.35Å; K1524-E1528 PolarHBondContact N-OE2 3.35Å
1525	T	38.8	Very low	37.7	Very low	14 Å²	14	56.6 Å²	56.6	9%	0.086	28%	0.279	C	S	.	.	S	Bend	trans	-153.7	162.1	161.7	43.6	0	0	0	0	108.9	K1307 E1311 F1523 A1527 E1528 C1529	K1307-T1525 HydrophobicContact CD-CG2 3.8Å; K1307-T1525 HydrophobicContact CG-CG2 4.33Å; E1311-T1525 VanDerWaalsContact OE2-CB 3.3Å; E1311-T1525 WeakPolarHBondContact OE2-CB 3.08Å; E1311-T1525 WeakPolarHBondContact OE2-CG2 3.2Å; E1311-T1525 PolarHBondContact OE2-OG1 3.44Å; F1523-T1525 WeakPolarHBondContact CB-O 3.38Å; F1523-T1525 PolarHBondContact O-N 2.88Å; F1523-T1525 VanDerWaalsContact O-N 3.14Å; T1525-A1527 PolarHBondContact O-N 3.45Å; T1525-A1527 VanDerWaalsContact O-N 3.13Å; T1525-E1528 PolarHBondContact O-N 3.35Å; T1525-E1528 PolarHBondContact OG1-N 2.83Å; T1525-C1529 PolarHBondContact O-N 2.86Å
1526	E	40.2	Very low	37.8	Very low	66 Å²	66	56.9 Å²	56.9	31%	0.308	28%	0.278	S	S	.	.	H	α-helix	trans	-44.8	-36.3	162.7	174	179.4	-143.6	0	0	111.8	A1308 C1500 L1501 C1529 E1530	A1308-E1526 HydrophobicContact CB-CB 3.73Å; A1308-E1526 HydrophobicContact CB-CG 3.96Å; A1308-E1526 WeakPolarHBondContact CB-OE2 3.37Å; C1500-E1526 HydrophobicContact CB-CB 4.46Å; C1500-E1526 HydrophobicContact CB-CG 4.08Å; L1501-E1526 PolarHBondContact O-N 2.99Å; E1526-C1529 VanDerWaalsContact O-CB 3.23Å; E1526-C1529 WeakPolarHBondContact O-CB 3.48Å; E1526-C1529 PolarHBondContact O-N 2.95Å; E1526-E1530 WeakPolarHBondContact O-CG 3.43Å; E1526-E1530 PolarHBondContact O-N 2.79Å
1527	A	42.8	Very low	38	Very low	1 Å²	1	57.2 Å²	57.2	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-34.3	175	0	0	0	0	0	115.8	E1311 G1312 T1525 C1529 E1530 E1531	E1311-A1527 HydrophobicContact CB-CB 3.21Å; E1311-A1527 HydrophobicContact CG-CB 4.5Å; G1312-A1527 VanDerWaalsContact N-CB 3.33Å; T1525-A1527 PolarHBondContact O-N 3.45Å; T1525-A1527 VanDerWaalsContact O-N 3.13Å; A1527-C1529 PolarHBondContact O-N 2.89Å; A1527-E1530 PolarHBondContact O-N 2.79Å; A1527-E1531 WeakPolarHBondContact O-CB 3.27Å; A1527-E1531 PolarHBondContact O-N 3.21Å
1528	E	45.8	Very low	38	Very low	32 Å²	32	57.9 Å²	57.9	15%	0.15	27%	0.274	C	S	.	.	H	α-helix	trans	-69.8	-23.6	175.5	-165.3	-177.9	-154.4	0	0	110.6	R1521 F1523 K1524 T1525 T1532	R1521-E1528 IonicContact CZ-OE1 3.63Å; R1521-E1528 IonicContact NE-OE1 3.74Å; R1521-E1528 PolarHBondContact NE-OE1 3.3Å; R1521-E1528 IonicContact NH2-OE1 2.74Å; R1521-E1528 PolarHBondContact NH2-OE1 3.29Å; F1523-E1528 HydrophobicContact CB-CB 3.97Å; F1523-E1528 VanDerWaalsContact CD1-C 3.43Å; F1523-E1528 HydrophobicContact CD1-CB 4.34Å; F1523-E1528 HydrophobicContact CD1-CG 4.17Å; F1523-E1528 WeakPolarHBondContact CD1-O 3.03Å; K1524-E1528 WeakPolarHBondContact CB-OE2 3.35Å; K1524-E1528 PolarHBondContact N-OE2 3.35Å; T1525-E1528 PolarHBondContact O-N 3.35Å; T1525-E1528 PolarHBondContact OG1-N 2.83Å; E1528-T1532 WeakPolarHBondContact O-CB 3.44Å; E1528-T1532 PolarHBondContact O-N 3.39Å; E1528-T1532 PolarHBondContact O-OG1 2.87Å
1529	C	43	Very low	38.1	Very low	1 Å²	1	59.8 Å²	59.8	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-74.3	-51.6	171.5	178.8	0	0	0	0	111.3	C1500 F1523 T1525 E1526 A1527 E1531 T1532 C1533	C1500-C1529 WeakPolarHBondContact CA-SG 3.44Å; C1500-C1529 HydrophobicContact CB-CB 3.66Å; C1500-C1529 WeakPolarHBondContact CB-SG 3.16Å; C1500-C1529 WeakPolarHBondContact SG-CB 3.16Å; C1500-C1529 CovalentContact SG-SG 2.04Å; C1500-C1529 PolarHBondContact SG-SG 3.19Å; F1523-C1529 HydrophobicContact CB-CB 3.67Å; F1523-C1529 HydrophobicContact CD1-CB 4.25Å; F1523-C1529 HydrophobicContact CD2-CB 3.28Å; F1523-C1529 HydrophobicContact CE2-CB 3.93Å; F1523-C1529 HydrophobicContact CG-CB 3.45Å; F1523-C1529 VanDerWaalsContact CG-CB 3.45Å; T1525-C1529 PolarHBondContact O-N 2.86Å; E1526-C1529 VanDerWaalsContact O-CB 3.23Å; E1526-C1529 WeakPolarHBondContact O-CB 3.48Å; E1526-C1529 PolarHBondContact O-N 2.95Å; A1527-C1529 PolarHBondContact O-N 2.89Å; C1529-E1531 PolarHBondContact O-N 3.2Å; C1529-T1532 PolarHBondContact O-N 3.05Å; C1529-C1533 WeakPolarHBondContact O-CB 3.39Å; C1529-C1533 PolarHBondContact O-N 2.6Å
1530	E	45.1	Very low	38.2	Very low	78 Å²	78	65.5 Å²	65.5	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-58.7	-45.6	173.8	-70.4	-172.3	131.7	0	0	112	E1526 A1527 T1532 C1533 L1534	E1526-E1530 WeakPolarHBondContact O-CG 3.43Å; E1526-E1530 PolarHBondContact O-N 2.79Å; A1527-E1530 PolarHBondContact O-N 2.79Å; E1530-T1532 VanDerWaalsContact C-N 3.31Å; E1530-T1532 PolarHBondContact O-N 2.75Å; E1530-C1533 WeakPolarHBondContact O-CB 3.05Å; E1530-C1533 PolarHBondContact O-N 3.29Å; E1530-C1533 VanDerWaalsContact O-N 3.15Å; E1530-L1534 HydrophobicContact CB-CD1 4.49Å; E1530-L1534 VanDerWaalsContact O-CB 3.3Å; E1530-L1534 WeakPolarHBondContact O-CB 3.02Å; E1530-L1534 WeakPolarHBondContact O-CG 3.42Å; E1530-L1534 PolarHBondContact O-N 2.69Å
1531	E	47.6	Very low	38.3	Very low	32 Å²	32	75.8 Å²	75.8	15%	0.15	34%	0.34	C	S	.	.	H	α-helix	trans	-57.7	-44.5	177.7	-177.6	173	-162.5	0	0	110.8	G1316 A1527 C1529 L1534 L1535	G1316-E1531 WeakPolarHBondContact CA-OE1 3.26Å; A1527-E1531 WeakPolarHBondContact O-CB 3.27Å; A1527-E1531 PolarHBondContact O-N 3.21Å; C1529-E1531 PolarHBondContact O-N 3.2Å; E1531-L1534 PolarHBondContact O-N 3.48Å; E1531-L1535 HydrophobicContact CG-CD1 4.1Å; E1531-L1535 WeakPolarHBondContact O-CB 2.96Å; E1531-L1535 WeakPolarHBondContact O-CD1 3.2Å; E1531-L1535 WeakPolarHBondContact O-CG 3.46Å; E1531-L1535 PolarHBondContact O-N 3.34Å
1532	T	43.2	Very low	38	Very low	37 Å²	37	74.1 Å²	74.1	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-38	176.8	-57.7	0	0	0	0	112.3	F1523 E1528 C1529 E1530 K1536	F1523-T1532 HydrophobicContact CE1-CG2 3.86Å; F1523-T1532 VanDerWaalsContact CE1-OG1 3.31Å; F1523-T1532 WeakPolarHBondContact CE1-OG1 3.37Å; F1523-T1532 HydrophobicContact CZ-CG2 4.08Å; E1528-T1532 WeakPolarHBondContact O-CB 3.44Å; E1528-T1532 PolarHBondContact O-N 3.39Å; E1528-T1532 PolarHBondContact O-OG1 2.87Å; C1529-T1532 PolarHBondContact O-N 3.05Å; E1530-T1532 VanDerWaalsContact C-N 3.31Å; E1530-T1532 PolarHBondContact O-N 2.75Å; T1532-K1536 PolarHBondContact O-N 2.83Å
1533	C	37.9	Very low	37.7	Very low	25 Å²	25	78.6 Å²	78.6	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-43.2	174.7	-173.9	0	0	0	0	112.6	P1498 C1529 E1530 K1536 N1537	P1498-C1533 HydrophobicContact CG-CB 3.91Å; C1529-C1533 WeakPolarHBondContact O-CB 3.39Å; C1529-C1533 PolarHBondContact O-N 2.6Å; E1530-C1533 WeakPolarHBondContact O-CB 3.05Å; E1530-C1533 PolarHBondContact O-N 3.29Å; E1530-C1533 VanDerWaalsContact O-N 3.15Å; C1533-K1536 PolarHBondContact O-N 3.46Å; C1533-N1537 PolarHBondContact O-N 3.03Å; C1533-N1537 PolarHBondContact O-ND2 3.2Å
1534	L	41.1	Very low	36.9	Very low	90 Å²	90	84.3 Å²	84.3	47%	0.471	40%	0.398	S	S	.	.	H	α-helix	trans	-70.1	-32	179	-69.5	168.2	0	0	0	112.1	E1530 E1531 N1537 R1538	E1530-L1534 HydrophobicContact CB-CD1 4.49Å; E1530-L1534 VanDerWaalsContact O-CB 3.3Å; E1530-L1534 WeakPolarHBondContact O-CB 3.02Å; E1530-L1534 WeakPolarHBondContact O-CG 3.42Å; E1530-L1534 PolarHBondContact O-N 2.69Å; E1531-L1534 PolarHBondContact O-N 3.48Å; L1534-N1537 PolarHBondContact O-N 3.44Å; L1534-R1538 PolarHBondContact O-N 2.89Å
1535	L	41.6	Very low	36.4	Very low	72 Å²	72	86.4 Å²	86.4	38%	0.377	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-42.7	174.2	-79.9	166	0	0	0	112.4	E1531 N1537 R1538	E1531-L1535 HydrophobicContact CG-CD1 4.1Å; E1531-L1535 WeakPolarHBondContact O-CB 2.96Å; E1531-L1535 WeakPolarHBondContact O-CD1 3.2Å; E1531-L1535 WeakPolarHBondContact O-CG 3.46Å; E1531-L1535 PolarHBondContact O-N 3.34Å; L1535-N1537 VanDerWaalsContact C-N 3.3Å; L1535-N1537 PolarHBondContact O-N 2.74Å; L1535-R1538 PolarHBondContact O-N 3.24Å
1536	K	35.8	Very low	35.9	Very low	120 Å²	120	94 Å²	94	52%	0.522	45%	0.447	S	S	.	.	H	α-helix	trans	-62.1	-36.5	174	-79.6	-172.4	176.5	179	0	112.5	T1532 C1533 R1538	T1532-K1536 PolarHBondContact O-N 2.83Å; C1533-K1536 PolarHBondContact O-N 3.46Å; K1536-R1538 VanDerWaalsContact C-N 3.3Å; K1536-R1538 PolarHBondContact O-N 2.79Å
1537	N	33.9	Very low	35.4	Very low	52 Å²	52	99.7 Å²	99.7	28%	0.278	47%	0.47	S	S	.	.	H	α-helix	trans	-70.5	-20.1	177.9	-79.6	-92.7	0	0	0	113.8	R1474 C1533 L1534 L1535	R1474-N1537 PolarHBondContact NH1-OD1 2.66Å; R1474-N1537 VanDerWaalsContact NH1-OD1 3.17Å; C1533-N1537 PolarHBondContact O-N 3.03Å; C1533-N1537 PolarHBondContact O-ND2 3.2Å; L1534-N1537 PolarHBondContact O-N 3.44Å; L1535-N1537 VanDerWaalsContact C-N 3.3Å; L1535-N1537 PolarHBondContact O-N 2.74Å
1538	R	32.4	Very low	34.6	Very low	135 Å²	135	104.6 Å²	104.6	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-81.9	-29.3	179.2	-78.6	177.8	169.8	161.9	-2.4	114	G1316 L1534 L1535 K1536 K1540 R1541	G1316-R1538 PolarHBondContact O-NH1 3.27Å; L1534-R1538 PolarHBondContact O-N 2.89Å; L1535-R1538 PolarHBondContact O-N 3.24Å; K1536-R1538 VanDerWaalsContact C-N 3.3Å; K1536-R1538 PolarHBondContact O-N 2.79Å; R1538-K1540 VanDerWaalsContact C-N 3.27Å; R1538-K1540 PolarHBondContact O-N 3.37Å; R1538-R1541 PolarHBondContact O-N 3.06Å
1539	F	29.5	Very low	33.8	Very low	145 Å²	145	113.1 Å²	113.1	64%	0.636	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.2	-178.5	-97.9	-86.1	0	0	0	115.2
1540	K	29.3	Very low	33.1	Very low	131 Å²	131	118.1 Å²	118.1	57%	0.57	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	0.1	178.2	-81.7	-176.8	168.5	-178.7	0	115	Q1476 R1538	Q1476-K1540 VanDerWaalsContact OE1-CD 3.27Å; R1538-K1540 VanDerWaalsContact C-N 3.27Å; R1538-K1540 PolarHBondContact O-N 3.37Å
1541	R	29.2	Very low	32.6	Very low	226 Å²	226	119.2 Å²	119.2	85%	0.853	58%	0.581	S	S	*	*	S	Bend	trans	-102	4.1	-179.6	-76.6	-172.5	171.2	-172.1	-2.8	114.8	R1538	R1538-R1541 PolarHBondContact O-N 3.06Å
1542	S	28.1	Very low	32	Very low	81 Å²	81	121.9 Å²	121.9	57%	0.566	60%	0.599	S	S	*	*	S	Bend	trans	-104.6	19.1	-176.7	57.7	0	0	0	0	114.2
1543	I	25.9	Very low	31.6	Very low	136 Å²	136	126 Å²	126	70%	0.697	61%	0.614	S	S	*	*	S	Bend	trans	-126.1	145.7	173.3	-53	177.4	0	0	0	106.2
1544	I	26	Very low	31.6	Very low	156 Å²	156	130.4 Å²	130.4	80%	0.8	64%	0.636	S	S	*	*			trans	76.2	88	-170.9	-45.3	165.8	0	0	0	113.3
1545	M	28	Very low	31.4	Very low	184 Å²	184	131 Å²	131	91%	0.906	64%	0.638	S	S	*	*				179.6	82.9	117.7	-89.6	-144.3	178.2	0	0	111.4
1546	E	27	Very low	31.3	Very low	175 Å²	175	136 Å²	136	82%	0.818	65%	0.652	S	S	*	*			trans	-78.7	120.5	152.6	-67.1	-174.2	125.4	0	0	109.3
1547	K	29.7	Very low	31.6	Very low	184 Å²	184	136.8 Å²	136.8	80%	0.8	66%	0.658	S	S	*	*				169.7	122.5	126.8	-91.7	148.4	-169.2	149.2	0	113.7
1548	S	27.2	Very low	31.7	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	67%	0.673	S	S	*	*			trans	45.2	117	148.5	60.5	0	0	0	0	120.6
1549	F	27.9	Very low	32	Very low	210 Å²	210	137.9 Å²	137.9	92%	0.921	67%	0.673	S	S	*	*				-152	153.9	115.4	-119.9	-81.9	0	0	0	111.1
1550	D	29.8	Very low	32.9	Very low	106 Å²	106	136.2 Å²	136.2	57%	0.567	67%	0.671	S	S	*	*			trans	-90.2	120.1	-163.6	-175.1	6.7	0	0	0	113.7	T1552	D1550-T1552 PolarHBondContact OD1-N 3.45Å
1551	T	34.6	Very low	33.7	Very low	101 Å²	101	136.9 Å²	136.9	62%	0.62	67%	0.673	S	S	*	*			trans	-131.8	-11.6	174.4	49.5	0	0	0	0	113.8	K1553	T1551-K1553 VanDerWaalsContact C-N 3.27Å; T1551-K1553 PolarHBondContact O-N 3.48Å
1552	T	33.9	Very low	34.4	Very low	88 Å²	88	130.2 Å²	130.2	54%	0.54	65%	0.654	S	S	.	*	H	α-helix	trans	-74.3	-15.4	-172.5	14.9	0	0	0	0	113.7	D1550	D1550-T1552 PolarHBondContact OD1-N 3.45Å
1553	K	35.7	Very low	34.9	Very low	124 Å²	124	131.9 Å²	131.9	54%	0.539	66%	0.656	S	S	.	*	H	α-helix	trans	-73.7	-44.6	-179.3	-153.1	172.1	-175.1	179.3	0	113	T1551 R1556 Q1557	T1551-K1553 VanDerWaalsContact C-N 3.27Å; T1551-K1553 PolarHBondContact O-N 3.48Å; K1553-R1556 PolarHBondContact O-N 2.63Å; K1553-Q1557 PolarHBondContact O-N 2.78Å
1554	N	36.4	Very low	35.5	Very low	118 Å²	118	129.9 Å²	129.9	63%	0.631	65%	0.647	S	S	*	*	H	α-helix	trans	-70.6	-37.9	-175.8	-65.8	-6.7	0	0	0	112.2	R1556 Q1557 L1558	N1554-R1556 VanDerWaalsContact C-N 3.32Å; N1554-R1556 PolarHBondContact O-N 2.78Å; N1554-Q1557 PolarHBondContact O-N 2.7Å; N1554-L1558 PolarHBondContact O-N 3.17Å
1555	I	38.5	Very low	36.3	Very low	102 Å²	102	129 Å²	129	52%	0.523	64%	0.639	S	S	.	*	H	α-helix	trans	-63.3	-38.2	178.6	-62.4	173	0	0	0	111.2	L1558 L1559	I1555-L1558 PolarHBondContact O-N 3.29Å; I1555-L1559 HydrophobicContact CG2-CD1 4.06Å; I1555-L1559 PolarHBondContact O-N 2.98Å
1556	R	39.4	Very low	36.9	Very low	177 Å²	177	128.4 Å²	128.4	67%	0.668	63%	0.631	S	S	*	*	H	α-helix	trans	-66.5	-39.5	177.2	-78.6	178.2	169	154.9	-1.4	113.2	K1553 N1554 N1560	K1553-R1556 PolarHBondContact O-N 2.63Å; N1554-R1556 VanDerWaalsContact C-N 3.32Å; N1554-R1556 PolarHBondContact O-N 2.78Å; R1556-N1560 PolarHBondContact O-N 2.84Å; R1556-N1560 VanDerWaalsContact O-N 3.12Å
1557	Q	42	Very low	37.4	Very low	136 Å²	136	123.8 Å²	123.8	64%	0.636	62%	0.618	S	S	*	*	H	α-helix	trans	-66.1	-39.7	176.3	-72.8	-176.3	-24.9	0	0	111.9	K1553 N1554 K1561	K1553-Q1557 PolarHBondContact O-N 2.78Å; N1554-Q1557 PolarHBondContact O-N 2.7Å; Q1557-K1561 PolarHBondContact O-N 2.73Å
1558	L	35.8	Very low	37.8	Very low	115 Å²	115	121.3 Å²	121.3	60%	0.602	61%	0.608	S	S	*	*	H	α-helix	trans	-65.9	-44.9	177.9	-166	67.2	0	0	0	112	N1554 I1555 K1561 I1562	N1554-L1558 PolarHBondContact O-N 3.17Å; I1555-L1558 PolarHBondContact O-N 3.29Å; L1558-K1561 PolarHBondContact O-N 3.43Å; L1558-I1562 HydrophobicContact CG-CD1 4.2Å; L1558-I1562 WeakPolarHBondContact O-CG1 3.42Å; L1558-I1562 PolarHBondContact O-N 2.87Å
1559	L	38.4	Very low	38.2	Very low	95 Å²	95	123.9 Å²	123.9	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-61.4	-45.6	177	-86.6	163.9	0	0	0	112.9	I1555 K1561 I1562 L1563	I1555-L1559 HydrophobicContact CG2-CD1 4.06Å; I1555-L1559 PolarHBondContact O-N 2.98Å; L1559-K1561 VanDerWaalsContact C-N 3.29Å; L1559-K1561 PolarHBondContact O-N 3.41Å; L1559-I1562 PolarHBondContact O-N 2.96Å; L1559-L1563 WeakPolarHBondContact O-CG 3.29Å; L1559-L1563 PolarHBondContact O-N 2.72Å
1560	N	48.8	Very low	38.3	Very low	111 Å²	111	120 Å²	120	59%	0.594	61%	0.611	S	S	*	*	H	α-helix	trans	-62.4	-37	179.3	-73.4	-4.9	0	0	0	112.1	R1556 L1563 D1564	R1556-N1560 PolarHBondContact O-N 2.84Å; R1556-N1560 VanDerWaalsContact O-N 3.12Å; N1560-L1563 PolarHBondContact O-N 3.39Å; N1560-D1564 PolarHBondContact O-N 3.27Å
1561	K	45.1	Very low	38.3	Very low	145 Å²	145	118 Å²	118	63%	0.63	62%	0.615	S	S	*	*	H	α-helix	trans	-66.8	-38.5	177.3	-162.6	173.9	-176.7	-179.4	0	112.3	Q1557 L1558 L1559 L1563	Q1557-K1561 PolarHBondContact O-N 2.73Å; L1558-K1561 PolarHBondContact O-N 3.43Å; L1559-K1561 VanDerWaalsContact C-N 3.29Å; L1559-K1561 PolarHBondContact O-N 3.41Å; K1561-L1563 VanDerWaalsContact C-N 3.35Å
1562	I	43.2	Very low	38.2	Very low	85 Å²	85	121.6 Å²	121.6	44%	0.436	63%	0.625	S	S	.	*	H	α-helix	trans	-69.8	-31.2	177	-67.4	165	0	0	0	112.1	L1558 L1559	L1558-I1562 HydrophobicContact CG-CD1 4.2Å; L1558-I1562 WeakPolarHBondContact O-CG1 3.42Å; L1558-I1562 PolarHBondContact O-N 2.87Å; L1559-I1562 PolarHBondContact O-N 2.96Å
1563	L	40.7	Very low	38	Very low	116 Å²	116	124.6 Å²	124.6	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-73.9	-38.7	177.9	-73.7	165.1	0	0	0	112.7	L1559 N1560 K1561 K1566	L1559-L1563 WeakPolarHBondContact O-CG 3.29Å; L1559-L1563 PolarHBondContact O-N 2.72Å; N1560-L1563 PolarHBondContact O-N 3.39Å; K1561-L1563 VanDerWaalsContact C-N 3.35Å; L1563-K1566 PolarHBondContact O-N 3.06Å
1564	D	38	Very low	37.6	Very low	95 Å²	95	125.1 Å²	125.1	51%	0.508	65%	0.645	S	S	.	*	H	α-helix	trans	-78.1	-20.4	-176.9	-166.8	51.4	0	0	0	114.2	N1560 S1567 K1568	N1560-D1564 PolarHBondContact O-N 3.27Å; D1564-S1567 PolarHBondContact O-OG 2.93Å; D1564-K1568 PolarHBondContact O-NZ 3.33Å; D1564-K1568 IonicContact OD1-NZ 2.72Å; D1564-K1568 PolarHBondContact OD1-NZ 2.79Å; D1564-K1568 VanDerWaalsContact OD1-NZ 3.12Å; D1564-K1568 IonicContact OD2-NZ 2.71Å; D1564-K1568 PolarHBondContact OD2-NZ 2.84Å
1565	E	42.8	Very low	37.1	Very low	138 Å²	138	127 Å²	127	65%	0.645	66%	0.656	S	S	*	*	H	α-helix	trans	-77.2	-31.5	171.6	-71.7	-176.1	176.9	0	0	112.5
1566	K	40.9	Very low	36.7	Very low	171 Å²	171	127.2 Å²	127.2	74%	0.743	67%	0.666	S	S	*	*	H	α-helix	trans	-81.8	-11.3	-178.7	-73.6	-173.8	175.1	-177.5	0	114.8	L1563 K1568	L1563-K1566 PolarHBondContact O-N 3.06Å; K1566-K1568 VanDerWaalsContact C-N 3.29Å; K1566-K1568 PolarHBondContact O-N 2.76Å
1567	S	36.8	Very low	36.2	Very low	78 Å²	78	124.7 Å²	124.7	55%	0.545	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-11.9	177.2	62.4	0	0	0	0	114.1	D1564	D1564-S1567 PolarHBondContact O-OG 2.93Å
1568	K	37.5	Very low	35.4	Very low	132 Å²	132	127.7 Å²	127.7	57%	0.574	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	2.2	-165.5	-58.4	-170.4	178.7	75.7	0	115.9	D1564 K1566	D1564-K1568 PolarHBondContact O-NZ 3.33Å; D1564-K1568 IonicContact OD1-NZ 2.72Å; D1564-K1568 PolarHBondContact OD1-NZ 2.79Å; D1564-K1568 VanDerWaalsContact OD1-NZ 3.12Å; D1564-K1568 IonicContact OD2-NZ 2.71Å; D1564-K1568 PolarHBondContact OD2-NZ 2.84Å; K1566-K1568 VanDerWaalsContact C-N 3.29Å; K1566-K1568 PolarHBondContact O-N 2.76Å
1569	L	35.6	Very low	35	Very low	159 Å²	159	126 Å²	126	83%	0.832	67%	0.672	S	S	*	*			trans	-130.2	116.5	171.8	-79.8	88	0	0	0	110.6
1570	S	31.3	Very low	34.5	Very low	128 Å²	128	129.2 Å²	129.2	90%	0.895	69%	0.688	S	S	*	*			trans	-137.3	148.2	-178.3	58.7	0	0	0	0	112.3
1571	G	28.4	Very low	33.5	Very low	63 Å²	63	126.6 Å²	126.6	65%	0.649	67%	0.674	S	S	*	*			trans	153.3	103.1	172.3	0	0	0	0	0	114.5
1572	H	34.1	Very low	32.6	Very low	177 Å²	177	124.2 Å²	124.2	82%	0.819	67%	0.669	S	S	*	*			trans	63.5	113.5	174.1	-51	-82.6	0	0	0	115.4
1573	L	28.9	Very low	32	Very low	152 Å²	152	120.6 Å²	120.6	80%	0.796	65%	0.649	S	S	*	*			cis	68.7	124.1	40.8	-52.6	164.9	0	0	0	112
1574	N	26.5	Very low	31.5	Very low	134 Å²	134	120.2 Å²	120.2	72%	0.717	65%	0.645	S	S	*	*			cis	-141	-175.1	18.7	-108.6	-2.9	0	0	0	114.3
1575	D	27.5	Very low	31.1	Very low	159 Å²	159	120 Å²	120	85%	0.85	64%	0.642	S	S	*	*	S	Bend	trans	71.8	37.9	167	-63.5	6.2	0	0	0	118.2
1576	S	28.2	Very low	30.5	Very low	106 Å²	106	114.5 Å²	114.5	74%	0.741	62%	0.616	S	S	*	*			trans	-153.4	163.1	148.1	59.1	0	0	0	0	112
1577	V	29.4	Very low	30	Very low	124 Å²	124	109 Å²	109	75%	0.752	60%	0.597	S	S	*	*			trans	73	100	171.9	-168.6	0	0	0	0	117.3
1578	Y	26.4	Very low	29.8	Very low	199 Å²	199	107 Å²	107	78%	0.78	58%	0.58	S	S	*	*			trans	-142.6	157.5	132.5	-93.1	-75.6	0	0	0	108.3
1579	P	26.8	Very low	29.6	Very low	78 Å²	78	104.5 Å²	104.5	51%	0.506	57%	0.57	S	S	.	*			trans	-85.8	132.4	-146.9	30.5	-36.7	0	0	0	116	L1581	P1579-L1581 HydrophobicContact CB-CD1 4.41Å; P1579-L1581 HydrophobicContact CG-CD1 4.04Å; P1579-L1581 PolarHBondContact O-N 3.48Å
1580	I	28.6	Very low	29.5	Very low	163 Å²	163	104 Å²	104	84%	0.836	56%	0.563	S	S	*	*			trans	-71.3	114.9	157.7	-56.8	173.4	0	0	0	107.2
1581	L	27.3	Very low	29.7	Very low	57 Å²	57	100.7 Å²	100.7	30%	0.298	53%	0.533	S	S	.	.			trans	-91.5	132	-178	-95.6	125.4	0	0	0	112.8	P1579 Y1583 N1656 N1658	P1579-L1581 HydrophobicContact CB-CD1 4.41Å; P1579-L1581 HydrophobicContact CG-CD1 4.04Å; P1579-L1581 PolarHBondContact O-N 3.48Å; L1581-Y1583 HydrophobicContact CB-CE2 4.12Å; L1581-Y1583 WeakPolarHBondContact O-CD2 3.32Å; L1581-Y1583 WeakPolarHBondContact O-CE2 3.36Å; L1581-N1656 WeakPolarHBondContact CB-ND2 3.01Å; L1581-N1656 WeakPolarHBondContact CD1-OD1 2.98Å; L1581-N1656 HydrophobicContact CD2-CB 4.13Å; L1581-N1658 HydrophobicContact CD1-CB 4.32Å
1582	N	26.9	Very low	30	Very low	95 Å²	95	98.7 Å²	98.7	51%	0.508	51%	0.507	S	S	.	.			trans	-117.7	178.1	178.2	-167.3	66.9	0	0	0	110.6
1583	Y	29.3	Very low	30.2	Very low	8 Å²	8	97.1 Å²	97.1	3%	0.031	50%	0.498	C	S	.	.				174.1	163	-123.6	-81.6	-58.4	0	0	0	109.7	P1331 S1332 P1334 L1581 H1653 E1655 N1656	P1331-Y1583 HydrophobicContact CB-CE2 3.95Å; P1331-Y1583 WeakPolarHBondContact O-CB 3.17Å; P1331-Y1583 WeakPolarHBondContact O-CD1 3.48Å; P1331-Y1583 WeakPolarHBondContact O-CD2 3.28Å; P1331-Y1583 WeakPolarHBondContact O-CE1 3.3Å; P1331-Y1583 WeakPolarHBondContact O-CE2 3.27Å; S1332-Y1583 CarbonylContact O-C 3.53Å; S1332-Y1583 WeakPolarHBondContact O-CA 3.03Å; S1332-Y1583 WeakPolarHBondContact O-CB 3.43Å; S1332-Y1583 VanDerWaalsContact O-CD1 3.3Å; S1332-Y1583 WeakPolarHBondContact O-CD1 2.83Å; P1334-Y1583 WeakPolarHBondContact CA-O 3.31Å; P1334-Y1583 WeakPolarHBondContact CB-O 3.31Å; L1581-Y1583 HydrophobicContact CB-CE2 4.12Å; L1581-Y1583 WeakPolarHBondContact O-CD2 3.32Å; L1581-Y1583 WeakPolarHBondContact O-CE2 3.36Å; Y1583-H1653 AromaticContact CE1-CE1 3.74Å; Y1583-H1653 AromaticContact CE1-ND1 3.51Å; Y1583-E1655 HydrophobicContact CD1-CB 4.02Å; Y1583-E1655 WeakPolarHBondContact CD1-OE2 3.11Å; Y1583-E1655 HydrophobicContact CE1-CB 3.93Å; Y1583-N1656 HydrophobicContact CE1-CB 3.91Å; Y1583-N1656 WeakPolarHBondContact OH-CB 2.95Å; Y1583-N1656 PolarHBondContact OH-ND2 3.42Å
1584	E	30	Very low	30.6	Very low	109 Å²	109	91 Å²	91	51%	0.509	47%	0.466	S	S	.	.			cis	159.7	-94.2	-36.4	-59.4	60.7	-87.6	0	0	119.1	S1332 Y1333 P1334 E1655	S1332-E1584 CarbonylContact O-C 3.55Å; S1332-E1584 WeakPolarHBondContact O-CA 3.34Å; S1332-E1584 PolarHBondContact O-N 3.16Å; Y1333-E1584 WeakPolarHBondContact CD1-O 3.25Å; Y1333-E1584 WeakPolarHBondContact CE1-O 3.44Å; P1334-E1584 VanDerWaalsContact CD-N 3.34Å; P1334-E1584 WeakPolarHBondContact CD-OE1 3.2Å; P1334-E1584 WeakPolarHBondContact CG-OE1 3.38Å; E1584-E1655 VanDerWaalsContact CA-OE1 3.26Å; E1584-E1655 WeakPolarHBondContact CA-OE1 3.46Å; E1584-E1655 VanDerWaalsContact CB-OE1 3.31Å; E1584-E1655 WeakPolarHBondContact CB-OE1 3.48Å
1585	M	29.8	Very low	31.1	Very low	90 Å²	90	86 Å²	86	44%	0.443	44%	0.438	S	S	.	.			trans	-118.5	-54.8	-150.4	-144.1	178	-70.5	0	0	127.2	S1332 Y1333 E1655	S1332-M1585 VanDerWaalsContact C-N 3.27Å; S1332-M1585 PolarHBondContact O-N 3.09Å; S1332-M1585 WeakPolarHBondContact OG-CB 3.4Å; Y1333-M1585 VanDerWaalsContact CD1-CA 3.47Å; Y1333-M1585 WeakPolarHBondContact CE1-O 3.02Å; Y1333-M1585 VanDerWaalsContact CE2-C 3.42Å; Y1333-M1585 VanDerWaalsContact CE2-O 3.27Å; Y1333-M1585 WeakPolarHBondContact CE2-O 3.25Å; Y1333-M1585 VanDerWaalsContact CG-C 3.45Å; Y1333-M1585 PolarHBondContact OH-O 2.87Å; M1585-E1655 HydrophobicContact CE-CG 3.93Å; M1585-E1655 WeakPolarHBondContact CE-OE1 3.14Å
1586	I	31	Very low	31.7	Very low	23 Å²	23	81.3 Å²	81.3	12%	0.118	41%	0.411	C	S	.	.			trans	-144.3	156.4	-166.3	105.1	99.6	0	0	0	116.9	S1328 D1330 S1332 Y1333 T1415	S1328-I1586 PolarHBondContact OG-O 2.93Å; D1330-I1586 HydrophobicContact CB-CG1 4.08Å; D1330-I1586 WeakPolarHBondContact CB-O 3.38Å; D1330-I1586 WeakPolarHBondContact OD2-CG1 3.37Å; S1332-I1586 PolarHBondContact OG-N 2.79Å; Y1333-I1586 WeakPolarHBondContact CD2-O 3.13Å; Y1333-I1586 VanDerWaalsContact CE2-C 3.49Å; Y1333-I1586 VanDerWaalsContact CE2-N 3.33Å; T1415-I1586 HydrophobicContact CG2-CD1 3.5Å; T1415-I1586 HydrophobicContact CG2-CG1 3.75Å
1587	T	30.7	Very low	32.2	Very low	54 Å²	54	76.4 Å²	76.4	33%	0.331	38%	0.377	S	S	.	.				-156.2	-15.1	-54.8	-2	0	0	0	0	117.9	S1328 Y1333 T1352 L1354	S1328-T1587 VanDerWaalsContact CB-C 3.41Å; S1328-T1587 PolarHBondContact OG-N 2.85Å; Y1333-T1587 HydrophobicContact CE2-CG2 3.81Å; T1352-T1587 WeakPolarHBondContact CB-O 3.34Å; T1352-T1587 WeakPolarHBondContact CG2-O 3.21Å; L1354-T1587 HydrophobicContact CD1-CG2 4.3Å; L1354-T1587 HydrophobicContact CG-CG2 4.41Å
1588	D	32.2	Very low	32.8	Very low	37 Å²	37	70.5 Å²	70.5	20%	0.198	34%	0.341	C	S	.	.			trans	-121.8	152.9	-175.1	177.1	56.7	0	0	0	119	K1326 N1327 S1328 Q1590 H1591 N1592	K1326-D1588 IonicContact NZ-OD1 2.72Å; K1326-D1588 PolarHBondContact NZ-OD1 2.73Å; N1327-D1588 CarbonylContact O-C 3.1Å; S1328-D1588 WeakPolarHBondContact CA-O 3.39Å; S1328-D1588 WeakPolarHBondContact CB-O 3.22Å; S1328-D1588 PolarHBondContact OG-N 2.76Å; S1328-D1588 PolarHBondContact OG-O 3.36Å; D1588-Q1590 PolarHBondContact OD2-N 3.21Å; D1588-H1591 HydrophobicContact CB-CB 3.78Å; D1588-H1591 CarbonylContact O-C 3.39Å; D1588-H1591 WeakPolarHBondContact O-CA 3.01Å; D1588-H1591 WeakPolarHBondContact O-CB 3.47Å; D1588-H1591 WeakPolarHBondContact OD2-CB 3.21Å; D1588-H1591 IonicContact OD2-CG 3.37Å; D1588-H1591 PolarHBondContact OD2-N 3.05Å; D1588-H1591 IonicContact OD2-ND1 3.45Å; D1588-H1591 PolarHBondContact OD2-ND1 2.86Å; D1588-N1592 PolarHBondContact O-N 2.99Å
1589	K	33.9	Very low	33.4	Very low	80 Å²	80	62.1 Å²	62.1	35%	0.348	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-30.3	-168.5	-166.7	-169.3	-161.1	169.5	0	116.1	L1324 Q1325 K1326 N1327 N1592	L1324-K1589 WeakPolarHBondContact O-CE 3.42Å; L1324-K1589 PolarHBondContact O-NZ 3.45Å; Q1325-K1589 WeakPolarHBondContact O-CE 3.2Å; Q1325-K1589 PolarHBondContact O-NZ 2.97Å; K1326-K1589 HydrophobicContact CB-CB 4.12Å; K1326-K1589 HydrophobicContact CD-CB 4.23Å; K1326-K1589 HydrophobicContact CG-CB 3.89Å; K1326-K1589 HydrophobicContact CG-CD 4.38Å; N1327-K1589 HydrophobicContact CB-CG 4.11Å; N1327-K1589 WeakPolarHBondContact O-CA 3.08Å; N1327-K1589 WeakPolarHBondContact O-CB 3.09Å; N1327-K1589 PolarHBondContact O-N 2.76Å; K1589-N1592 CarbonylContact O-C 3.5Å; K1589-N1592 WeakPolarHBondContact O-CA 3.15Å; K1589-N1592 PolarHBondContact O-N 2.74Å
1590	Q	32.7	Very low	34.5	Very low	147 Å²	147	59.1 Å²	59.1	69%	0.687	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-41.7	162.2	-176.8	-170.3	24.2	0	0	107.9	D1588 N1592 K1593 I1594	D1588-Q1590 PolarHBondContact OD2-N 3.21Å; Q1590-N1592 VanDerWaalsContact C-N 3.33Å; Q1590-N1592 PolarHBondContact O-N 3.44Å; Q1590-K1593 PolarHBondContact O-N 2.81Å; Q1590-I1594 WeakPolarHBondContact O-CG1 3.4Å
1591	H	35.4	Very low	35.1	Very low	59 Å²	59	53.4 Å²	53.4	27%	0.273	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-45.1	-53.3	156.4	-82.1	79.5	0	0	0	110.5	T1329 N1414 D1588 K1593 I1594	T1329-H1591 HydrophobicContact CG2-CB 3.65Å; T1329-H1591 WeakPolarHBondContact CG2-O 3.46Å; N1414-H1591 PolarHBondContact OD1-CD2 3.27Å; D1588-H1591 HydrophobicContact CB-CB 3.78Å; D1588-H1591 CarbonylContact O-C 3.39Å; D1588-H1591 WeakPolarHBondContact O-CA 3.01Å; D1588-H1591 WeakPolarHBondContact O-CB 3.47Å; D1588-H1591 WeakPolarHBondContact OD2-CB 3.21Å; D1588-H1591 IonicContact OD2-CG 3.37Å; D1588-H1591 PolarHBondContact OD2-N 3.05Å; D1588-H1591 IonicContact OD2-ND1 3.45Å; D1588-H1591 PolarHBondContact OD2-ND1 2.86Å; H1591-K1593 CarbonylContact O-C 3.37Å; H1591-K1593 PolarHBondContact O-N 3.38Å; H1591-I1594 WeakPolarHBondContact O-CA 3.37Å; H1591-I1594 WeakPolarHBondContact O-CB 3.19Å; H1591-I1594 VanDerWaalsContact O-CG1 3.26Å; H1591-I1594 WeakPolarHBondContact O-CG1 3Å; H1591-I1594 PolarHBondContact O-N 3.37Å
1592	N	35.4	Very low	35.8	Very low	21 Å²	21	51.6 Å²	51.6	11%	0.112	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-78	52.7	175.4	-140.5	-10.9	0	0	0	118.6	N1327 T1329 D1588 K1589 Q1590	N1327-N1592 HydrophobicContact CB-CB 3.79Å; N1327-N1592 PolarHBondContact ND2-ND2 3.14Å; N1327-N1592 PolarHBondContact OD1-ND2 3.4Å; T1329-N1592 HydrophobicContact CG2-CB 3.97Å; T1329-N1592 VanDerWaalsContact CG2-N 3.31Å; T1329-N1592 VanDerWaalsContact N-CB 3.26Å; T1329-N1592 VanDerWaalsContact N-CG 3.27Å; T1329-N1592 PolarHBondContact N-ND2 3.16Å; D1588-N1592 PolarHBondContact O-N 2.99Å; K1589-N1592 CarbonylContact O-C 3.5Å; K1589-N1592 WeakPolarHBondContact O-CA 3.15Å; K1589-N1592 PolarHBondContact O-N 2.74Å; Q1590-N1592 VanDerWaalsContact C-N 3.33Å; Q1590-N1592 PolarHBondContact O-N 3.44Å
1593	K	36.7	Very low	36.3	Very low	145 Å²	145	53.7 Å²	53.7	63%	0.63	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-127.2	21.8	132	-58.3	174.3	-170.7	167.9	0	111	P1412 Q1590 H1591 L1611	P1412-K1593 VanDerWaalsContact CB-O 3.26Å; P1412-K1593 WeakPolarHBondContact CB-O 3.2Å; Q1590-K1593 PolarHBondContact O-N 2.81Å; H1591-K1593 CarbonylContact O-C 3.37Å; H1591-K1593 PolarHBondContact O-N 3.38Å; K1593-L1611 WeakPolarHBondContact O-CD1 3.15Å
1594	I	37.7	Very low	36.6	Very low	23 Å²	23	58 Å²	58	12%	0.118	29%	0.286	C	S	.	.	S	Bend	trans	-108.3	0	-176	-47.5	178.9	0	0	0	114.2	T1329 P1412 T1413 Q1590 H1591 L1611 L1613 P1624	T1329-I1594 HydrophobicContact CG2-CB 4.42Å; P1412-I1594 CarbonylContact C-O 3.49Å; P1412-I1594 WeakPolarHBondContact CA-O 3.18Å; P1412-I1594 WeakPolarHBondContact CB-O 3.19Å; T1413-I1594 WeakPolarHBondContact CA-O 3.24Å; T1413-I1594 VanDerWaalsContact CG2-C 3.46Å; T1413-I1594 HydrophobicContact CG2-CB 3.92Å; T1413-I1594 HydrophobicContact CG2-CG2 3.83Å; T1413-I1594 VanDerWaalsContact N-C 3.28Å; T1413-I1594 PolarHBondContact N-O 3.5Å; Q1590-I1594 WeakPolarHBondContact O-CG1 3.4Å; H1591-I1594 WeakPolarHBondContact O-CA 3.37Å; H1591-I1594 WeakPolarHBondContact O-CB 3.19Å; H1591-I1594 VanDerWaalsContact O-CG1 3.26Å; H1591-I1594 WeakPolarHBondContact O-CG1 3Å; H1591-I1594 PolarHBondContact O-N 3.37Å; I1594-L1611 HydrophobicContact CG1-CD2 4.38Å; I1594-L1611 HydrophobicContact CG2-CD2 4.48Å; I1594-L1613 HydrophobicContact CD1-CD2 4.48Å; I1594-P1624 HydrophobicContact CG2-CB 3.4Å; I1594-P1624 HydrophobicContact CG2-CG 3.46Å; I1594-P1624 VanDerWaalsContact CG2-CG 3.46Å
1595	F	37.7	Very low	36.7	Very low	29 Å²	29	57.3 Å²	57.3	13%	0.127	29%	0.293	C	S	.	.	S	Bend		0	0	0	-149.5	-122.6	0	0	0	127.2	T1329 P1331 P1412 T1413 T1599	T1329-F1595 HydrophobicContact CG2-CB 4Å; T1329-F1595 WeakPolarHBondContact O-CB 3.46Å; T1329-F1595 WeakPolarHBondContact O-CD1 3.36Å; T1329-F1595 WeakPolarHBondContact O-CG 3.15Å; P1331-F1595 HydrophobicContact CB-CE2 4.11Å; P1331-F1595 HydrophobicContact CB-CZ 3.88Å; P1331-F1595 HydrophobicContact CG-CE2 4.03Å; P1331-F1595 HydrophobicContact CG-CZ 4.32Å; P1412-F1595 VanDerWaalsContact C-C 3.45Å; P1412-F1595 VanDerWaalsContact C-N 3.33Å; P1412-F1595 WeakPolarHBondContact CA-O 3.17Å; P1412-F1595 HydrophobicContact CB-CB 4.03Å; P1412-F1595 VanDerWaalsContact CB-O 3.27Å; P1412-F1595 WeakPolarHBondContact CB-O 3.11Å; P1412-F1595 WeakPolarHBondContact CD-O 2.65Å; P1412-F1595 HydrophobicContact CG-CB 4.44Å; P1412-F1595 WeakPolarHBondContact CG-O 3.47Å; T1413-F1595 HydrophobicContact CG2-CB 4.43Å; T1413-F1595 VanDerWaalsContact CG2-N 3.3Å; T1413-F1595 WeakPolarHBondContact OG1-CA 3.43Å; T1413-F1595 WeakPolarHBondContact OG1-CB 3.11Å; T1413-F1595 WeakPolarHBondContact OG1-CD2 2.55Å; T1413-F1595 WeakPolarHBondContact OG1-CG 3.2Å; T1413-F1595 PolarHBondContact OG1-N 3.29Å; F1595-T1599 WeakPolarHBondContact CD2-OG1 3.43Å; F1595-T1599 HydrophobicContact CE2-CG2 3.65Å; F1595-T1599 WeakPolarHBondContact CE2-OG1 2.92Å; F1595-T1599 HydrophobicContact CZ-CG2 4.11Å
1596	Q	39.3	Very low	36.7	Very low	61 Å²	61	57.1 Å²	57.1	29%	0.285	29%	0.293	S	S	.	.	S	Bend		0	-121.3	0	-59.1	161.1	123.9	0	0	113	N1411 P1412 K1609	N1411-Q1596 CarbonylContact C-O 3.57Å; N1411-Q1596 VanDerWaalsContact CB-O 3.3Å; N1411-Q1596 WeakPolarHBondContact CB-O 2.46Å; N1411-Q1596 PolarHBondContact ND2-O 2.84Å; N1411-Q1596 CarbonylContact O-C 3.53Å; N1411-Q1596 PolarHBondContact O-N 2.76Å; P1412-Q1596 HydrophobicContact CB-CB 3.17Å; P1412-Q1596 HydrophobicContact CB-CG 4.2Å; P1412-Q1596 HydrophobicContact CG-CB 3.25Å; P1412-Q1596 HydrophobicContact CG-CG 3.38Å; Q1596-K1609 HydrophobicContact CG-CD 3.65Å; Q1596-K1609 VanDerWaalsContact OE1-CD 3.26Å
1597	A	39.2	Very low	36.9	Very low	2 Å²	2	57.2 Å²	57.2	2%	0.017	29%	0.293	C	S	.	.	S	Bend	trans	-96.9	-9.1	-179.7	0	0	0	0	0	113.4	N1411 H1600 K1609 L1611 A1693 T1694 I1695	N1411-A1597 VanDerWaalsContact CG-C 3.41Å; N1411-A1597 WeakPolarHBondContact ND2-CA 3.18Å; N1411-A1597 PolarHBondContact ND2-O 3.44Å; N1411-A1597 CarbonylContact O-C 3.59Å; N1411-A1597 PolarHBondContact O-N 3.31Å; N1411-A1597 PolarHBondContact OD1-O 3.38Å; A1597-H1600 PolarHBondContact O-NE2 3.37Å; A1597-K1609 WeakPolarHBondContact CA-O 3.13Å; A1597-K1609 WeakPolarHBondContact CB-O 3.33Å; A1597-L1611 HydrophobicContact CB-CB 4.26Å; A1597-A1693 WeakPolarHBondContact O-CB 3.35Å; A1597-T1694 VanDerWaalsContact CB-O 3.26Å; A1597-T1694 WeakPolarHBondContact CB-O 3.19Å; A1597-I1695 HydrophobicContact CB-CG1 4.47Å
1598	V	41.8	Very low	37.2	Very low	1 Å²	1	63.4 Å²	63.4	1%	0.006	32%	0.316	C	S	.	.			trans	-134	15.4	-150.5	-109.6	0	0	0	0	120.7	N1411 P1412 P1624 C1625 W1626 C1680 A1693 I1695	N1411-V1598 CarbonylContact O-C 3.58Å; N1411-V1598 WeakPolarHBondContact O-CA 3.37Å; N1411-V1598 PolarHBondContact O-N 3.13Å; N1411-V1598 PolarHBondContact OD1-N 3.43Å; N1411-V1598 VanDerWaalsContact OD1-N 3.17Å; P1412-V1598 CarbonylContact O-C 3.16Å; P1412-V1598 WeakPolarHBondContact O-CA 3.48Å; P1412-V1598 WeakPolarHBondContact O-CB 3.28Å; V1598-P1624 VanDerWaalsContact CG1-O 3.24Å; V1598-P1624 WeakPolarHBondContact CG1-O 3.25Å; V1598-P1624 HydrophobicContact CG2-CB 3.98Å; V1598-P1624 HydrophobicContact CG2-CG 3.89Å; V1598-C1625 HydrophobicContact CG1-CB 3.88Å; V1598-W1626 CarbonylContact O-C 3.55Å; V1598-W1626 WeakPolarHBondContact O-CA 3.23Å; V1598-W1626 PolarHBondContact O-N 2.95Å; V1598-C1680 HydrophobicContact CG1-CB 4.2Å; V1598-A1693 HydrophobicContact CB-CB 4.29Å; V1598-A1693 HydrophobicContact CG1-CB 3.29Å; V1598-I1695 HydrophobicContact CG2-CD1 4.34Å
1599	T	39.8	Very low	37.7	Very low	22 Å²	22	65.7 Å²	65.7	14%	0.135	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	106	169.7	-51.7	0	0	0	0	109.4	N1411 P1412 F1595 W1626 V1628	N1411-T1599 VanDerWaalsContact C-N 3.25Å; N1411-T1599 PolarHBondContact O-N 3.05Å; N1411-T1599 VanDerWaalsContact OD1-C 3.29Å; N1411-T1599 PolarHBondContact OD1-N 2.97Å; N1411-T1599 PolarHBondContact OD1-O 2.77Å; P1412-T1599 PolarHBondContact O-N 3.14Å; P1412-T1599 PolarHBondContact O-OG1 2.95Å; F1595-T1599 WeakPolarHBondContact CD2-OG1 3.43Å; F1595-T1599 HydrophobicContact CE2-CG2 3.65Å; F1595-T1599 WeakPolarHBondContact CE2-OG1 2.92Å; F1595-T1599 HydrophobicContact CZ-CG2 4.11Å; T1599-W1626 WeakPolarHBondContact CA-O 3.05Å; T1599-W1626 HydrophobicContact CG2-CB 4.22Å; T1599-V1628 HydrophobicContact CG2-CG2 4.02Å
1600	H	50.1	Low	38.4	Very low	15 Å²	15	66 Å²	66	7%	0.069	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.6	-177.9	-71.8	-80.6	0	0	0	112.4	N1411 A1597 W1626 I1627 V1628 A1691 K1692 A1693	N1411-H1600 PolarHBondContact OD1-NE2 3.18Å; A1597-H1600 PolarHBondContact O-NE2 3.37Å; H1600-W1626 PolarHBondContact N-O 3.49Å; H1600-W1626 VanDerWaalsContact N-O 3.17Å; H1600-I1627 CarbonylContact O-C 3.42Å; H1600-I1627 WeakPolarHBondContact O-CA 3.12Å; H1600-V1628 PolarHBondContact O-N 3.41Å; H1600-A1691 HydrophobicContact CB-CB 3.39Å; H1600-K1692 PolarHBondContact CE1-O 2.92Å; H1600-K1692 VanDerWaalsContact NE2-C 3.34Å; H1600-K1692 PolarHBondContact NE2-O 3.12Å; H1600-A1693 WeakPolarHBondContact NE2-CA 3.11Å; H1600-A1693 WeakPolarHBondContact NE2-CB 3.45Å; H1600-A1693 PolarHBondContact NE2-N 3.48Å
1601	S	41.1	Very low	39.4	Very low	44 Å²	44	60.1 Å²	60.1	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.4	155.6	66.4	0	0	0	0	108.8	N1603 Q1604	S1601-N1603 PolarHBondContact O-N 3.37Å; S1601-Q1604 PolarHBondContact O-N 3.4Å
1602	F	42	Very low	40.5	Very low	18 Å²	18	61.3 Å²	61.3	8%	0.079	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.4	-171.7	-87.5	-51.1	0	0	0	115.9	I1627 S1629 P1633 S1683 D1684 E1689 A1691	F1602-I1627 HydrophobicContact CE2-CG2 4.14Å; F1602-I1627 HydrophobicContact CZ-CG2 4.13Å; F1602-S1629 WeakPolarHBondContact CD2-OG 2.89Å; F1602-P1633 HydrophobicContact CE2-CB 3.98Å; F1602-P1633 HydrophobicContact CZ-CB 3.83Å; F1602-S1683 VanDerWaalsContact CZ-C 3.48Å; F1602-D1684 HydrophobicContact CD2-CB 3.95Å; F1602-D1684 HydrophobicContact CE1-CB 4.37Å; F1602-D1684 HydrophobicContact CE2-CB 3.61Å; F1602-D1684 WeakPolarHBondContact CE2-OD2 3.34Å; F1602-D1684 HydrophobicContact CG-CB 4.47Å; F1602-D1684 HydrophobicContact CZ-CB 3.87Å; F1602-D1684 VanDerWaalsContact CZ-N 3.28Å; F1602-E1689 HydrophobicContact CB-CB 3.58Å; F1602-E1689 HydrophobicContact CB-CG 4.18Å; F1602-E1689 WeakPolarHBondContact CB-OE2 3.09Å; F1602-E1689 HydrophobicContact CD1-CB 3.71Å; F1602-E1689 HydrophobicContact CG-CB 3.78Å; F1602-A1691 HydrophobicContact CD1-CB 4.38Å; F1602-A1691 HydrophobicContact CE1-CB 4.39Å
1603	N	35.9	Very low	41.9	Very low	140 Å²	140	61.7 Å²	61.7	75%	0.749	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	9.3	-176.8	-116.9	-96.5	0	0	0	114.7	S1601 E1689	S1601-N1603 PolarHBondContact O-N 3.37Å; N1603-E1689 PolarHBondContact ND2-OE1 2.03Å
1604	Q	36.1	Very low	43.3	Very low	99 Å²	99	61.1 Å²	61.1	46%	0.463	32%	0.318	S	S	.	.			trans	-120.8	100.9	-178.8	-72.7	-173.2	-13.6	0	0	113.7	S1601	S1601-Q1604 PolarHBondContact O-N 3.4Å
1605	S	31.5	Very low	45	Very low	93 Å²	93	61 Å²	61	65%	0.65	32%	0.319	S	S	*	.			trans	-74.8	146	161.4	66.3	0	0	0	0	111
1606	N	31.5	Very low	46.4	Very low	86 Å²	86	62.5 Å²	62.5	46%	0.46	33%	0.328	S	S	.	.			trans	71.9	84.3	173.5	-49.8	-71.3	0	0	0	117	S1407	S1407-N1606 WeakPolarHBondContact OG-CB 3.25Å; S1407-N1606 PolarHBondContact OG-O 2.98Å
1607	F	33.5	Very low	48.2	Very low	25 Å²	25	62 Å²	62	11%	0.11	33%	0.325	C	S	.	.			trans	-126.8	102.6	163.7	-104.2	-94.5	0	0	0	112.1	S1408 M1409 E1410 N1411 K1609	S1408-F1607 VanDerWaalsContact C-CE1 3.4Å; S1408-F1607 WeakPolarHBondContact O-CE1 2.93Å; S1408-F1607 WeakPolarHBondContact OG-CE2 3.44Å; S1408-F1607 WeakPolarHBondContact OG-CZ 3.12Å; M1409-F1607 VanDerWaalsContact C-CZ 3.48Å; M1409-F1607 VanDerWaalsContact N-CE1 3.3Å; M1409-F1607 VanDerWaalsContact O-CZ 3.23Å; M1409-F1607 WeakPolarHBondContact O-CZ 3.47Å; E1410-F1607 VanDerWaalsContact O-CE1 3.26Å; E1410-F1607 WeakPolarHBondContact O-CE1 3.27Å; E1410-F1607 WeakPolarHBondContact O-CZ 3.49Å; N1411-F1607 HydrophobicContact CB-CD1 3.94Å; N1411-F1607 HydrophobicContact CB-CE1 4.08Å; F1607-K1609 PolarHBondContact O-N 2.67Å
1608	K	38.8	Very low	49.9	Very low	185 Å²	185	66 Å²	66	80%	0.804	35%	0.347	S	S	*	.			trans	-98.9	70.9	179.6	-69.8	-178.9	179.4	173	0	111.8
1609	K	42.1	Very low	51.5	Low	85 Å²	85	70.5 Å²	70.5	37%	0.37	37%	0.368	S	S	.	.			trans	-115.9	111.2	164.3	-84.9	-166.1	174.7	179.9	0	110.8	Q1596 A1597 F1607	Q1596-K1609 HydrophobicContact CG-CD 3.65Å; Q1596-K1609 VanDerWaalsContact OE1-CD 3.26Å; A1597-K1609 WeakPolarHBondContact CA-O 3.13Å; A1597-K1609 WeakPolarHBondContact CB-O 3.33Å; F1607-K1609 PolarHBondContact O-N 2.67Å
1610	T	49	Very low	53.2	Low	86 Å²	86	74.6 Å²	74.6	53%	0.528	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.1	165.9	23.7	0	0	0	0	109.8	T1694 I1696	T1610-T1694 HydrophobicContact CG2-CG2 3.94Å; T1610-I1696 HydrophobicContact CG2-CD1 4.01Å; T1610-I1696 HydrophobicContact CG2-CG1 3.98Å
1611	L	53.2	Low	54.6	Low	23 Å²	23	75 Å²	75	12%	0.12	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.9	170.8	176.6	68.2	0	0	0	108.9	K1593 I1594 A1597 L1613 P1624 I1695 I1696	K1593-L1611 WeakPolarHBondContact O-CD1 3.15Å; I1594-L1611 HydrophobicContact CG1-CD2 4.38Å; I1594-L1611 HydrophobicContact CG2-CD2 4.48Å; A1597-L1611 HydrophobicContact CB-CB 4.26Å; L1611-L1613 HydrophobicContact CD2-CD1 4.34Å; L1611-L1613 HydrophobicContact CD2-CD2 4.14Å; L1611-L1613 HydrophobicContact CD2-CG 4.23Å; L1611-L1613 HydrophobicContact CG-CD2 4.28Å; L1611-L1613 HydrophobicContact CG-CG 4.26Å; L1611-P1624 HydrophobicContact CD2-CG 4.2Å; L1611-I1695 HydrophobicContact CB-CG2 4.41Å; L1611-I1695 WeakPolarHBondContact O-CG2 3.23Å; L1611-I1696 PolarHBondContact O-N 3.18Å
1612	T	58.6	Low	56.4	Low	85 Å²	85	76.4 Å²	76.4	52%	0.521	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.9	171	-44	0	0	0	0	110	I1696	T1612-I1696 CarbonylContact C-O 3.53Å; T1612-I1696 WeakPolarHBondContact CA-O 3.04Å; T1612-I1696 HydrophobicContact CG2-CB 4.43Å; T1612-I1696 HydrophobicContact CG2-CG2 4.3Å
1613	L	65	Low	58.3	Low	29 Å²	29	75.5 Å²	75.5	15%	0.152	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.5	175.3	-64.8	172.2	0	0	0	109.3	I1594 L1611 I1621 L1623 I1695 I1696 L1697 N1698	I1594-L1613 HydrophobicContact CD1-CD2 4.48Å; L1611-L1613 HydrophobicContact CD2-CD1 4.34Å; L1611-L1613 HydrophobicContact CD2-CD2 4.14Å; L1611-L1613 HydrophobicContact CD2-CG 4.23Å; L1611-L1613 HydrophobicContact CG-CD2 4.28Å; L1611-L1613 HydrophobicContact CG-CG 4.26Å; L1613-I1621 HydrophobicContact CB-CD1 4.02Å; L1613-I1621 HydrophobicContact CD1-CD1 4.15Å; L1613-L1623 HydrophobicContact CD1-CD2 4.15Å; L1613-I1695 HydrophobicContact CD1-CG2 4Å; L1613-I1695 HydrophobicContact CG-CG2 4.44Å; L1613-I1696 PolarHBondContact N-O 3.45Å; L1613-L1697 HydrophobicContact CB-CD1 4.2Å; L1613-N1698 PolarHBondContact O-N 2.92Å
1614	E	64.8	Low	60.3	Low	132 Å²	132	69 Å²	69	62%	0.617	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	144	173.6	-55.3	-149.2	123	0	0	110.8	N1698	E1614-N1698 WeakPolarHBondContact CA-O 3.37Å; E1614-N1698 HydrophobicContact CB-CB 4.47Å; E1614-N1698 HydrophobicContact CG-CB 3.92Å; E1614-N1698 PolarHBondContact OE1-ND2 3.3Å
1615	V	73.4	Confident	62.3	Low	21 Å²	21	64.4 Å²	64.4	13%	0.127	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	150.1	-179.9	65.3	0	0	0	0	110.1	E1619 I1621 T1669 L1697 N1698 V1699 V1700	V1615-E1619 HydrophobicContact CG2-CB 3.6Å; V1615-E1619 HydrophobicContact CG2-CG 4.47Å; V1615-I1621 HydrophobicContact CB-CD1 4.13Å; V1615-I1621 HydrophobicContact CG1-CD1 4.39Å; V1615-I1621 HydrophobicContact CG1-CG2 4.45Å; V1615-I1621 HydrophobicContact CG2-CB 4.36Å; V1615-T1669 HydrophobicContact CG1-CG2 3.79Å; V1615-T1669 HydrophobicContact CG2-CG2 4.36Å; V1615-L1697 HydrophobicContact CG1-CD1 3.89Å; V1615-N1698 PolarHBondContact N-O 3.36Å; V1615-V1699 HydrophobicContact CG1-CG2 3.98Å; V1615-V1699 CarbonylContact O-C 3.54Å; V1615-V1699 WeakPolarHBondContact O-CA 3.02Å; V1615-V1700 PolarHBondContact O-N 3.04Å
1616	L	67.1	Low	64.2	Low	60 Å²	60	60 Å²	60	31%	0.314	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	165.7	172.9	-71	171.2	0	0	0	111.6	E1619 T1669 V1700 L1702	L1616-E1619 HydrophobicContact CB-CB 4.46Å; L1616-E1619 HydrophobicContact CB-CG 4.09Å; L1616-T1669 PolarHBondContact O-OG1 2.59Å; L1616-V1700 CarbonylContact C-O 3.56Å; L1616-V1700 VanDerWaalsContact CA-O 3.31Å; L1616-V1700 WeakPolarHBondContact CA-O 3.13Å; L1616-L1702 HydrophobicContact CD1-CD1 4.34Å; L1616-L1702 HydrophobicContact CD2-CD1 4.01Å; L1616-L1702 HydrophobicContact CD2-CG 4.02Å
1617	E	77.3	Confident	66.2	Low	50 Å²	50	56 Å²	56	23%	0.234	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	139	173.4	-173.8	154.5	-145.4	0	0	111.8	E1619 T1671 V1699 V1700 S1701	E1617-E1619 VanDerWaalsContact C-N 3.27Å; E1617-T1671 WeakPolarHBondContact OE1-CB 3.31Å; E1617-T1671 PolarHBondContact OE1-N 3.45Å; E1617-T1671 PolarHBondContact OE1-OG1 2.58Å; E1617-T1671 VanDerWaalsContact OE1-OG1 3.09Å; E1617-T1671 PolarHBondContact OE2-OG1 2.81Å; E1617-V1699 HydrophobicContact CB-CG1 4.06Å; E1617-V1699 HydrophobicContact CG-CG1 4.5Å; E1617-V1700 PolarHBondContact N-O 2.69Å; E1617-S1701 WeakPolarHBondContact OE2-CB 2.92Å; E1617-S1701 PolarHBondContact OE2-OG 2.83Å
1618	N	75.8	Confident	67.7	Low	87 Å²	87	57 Å²	57	47%	0.465	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	2.5	-170.7	-37.5	-82.6	0	0	0	116.1	T1669 K1670	N1618-T1669 WeakPolarHBondContact CA-O 3.14Å; N1618-T1669 PolarHBondContact N-O 2.89Å; N1618-T1669 PolarHBondContact N-OG1 2.93Å; N1618-T1669 VanDerWaalsContact N-OG1 3.1Å; N1618-K1670 PolarHBondContact OD1-NZ 2.74Å
1619	E	74.7	Confident	69.1	Low	96 Å²	96	48.9 Å²	48.9	45%	0.449	25%	0.25	S	S	.	.			trans	-76.9	178.9	174.5	-99.5	-63	168.2	0	0	113.6	V1615 L1616 E1617 N1668 T1669	V1615-E1619 HydrophobicContact CG2-CB 3.6Å; V1615-E1619 HydrophobicContact CG2-CG 4.47Å; L1616-E1619 HydrophobicContact CB-CB 4.46Å; L1616-E1619 HydrophobicContact CB-CG 4.09Å; E1617-E1619 VanDerWaalsContact C-N 3.27Å; E1619-N1668 WeakPolarHBondContact O-CA 3.47Å; E1619-N1668 PolarHBondContact O-N 2.73Å; E1619-T1669 PolarHBondContact N-OG1 3.39Å; E1619-T1669 WeakPolarHBondContact O-CG2 3.27Å; E1619-T1669 PolarHBondContact O-N 2.9Å; E1619-T1669 PolarHBondContact O-OG1 2.84Å
1620	H	76.8	Confident	70.2	Confident	107 Å²	107	51.4 Å²	51.4	50%	0.495	26%	0.263	S	S	.	.			trans	-112	138	175.7	-63.2	-83.9	0	0	0	111.8	H1667	H1620-H1667 AromaticContact CE1-CG 3.94Å; H1620-H1667 AromaticContact CE1-ND1 3.4Å; H1620-H1667 PolarHBondContact CE1-ND1 3.2Å; H1620-H1667 WeakPolarHBondContact ND1-CA 3.44Å; H1620-H1667 WeakPolarHBondContact ND1-CB 3.33Å; H1620-H1667 AromaticContact ND1-CG 3.53Å; H1620-H1667 AromaticContact ND1-ND1 3.07Å; H1620-H1667 PolarHBondContact ND1-ND1 2.66Å
1621	I	78.3	Confident	71.5	Confident	24 Å²	24	49.6 Å²	49.6	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.5	174.8	-167.9	161.8	0	0	0	113.3	L1613 V1615 V1666 T1669 L1697	L1613-I1621 HydrophobicContact CB-CD1 4.02Å; L1613-I1621 HydrophobicContact CD1-CD1 4.15Å; V1615-I1621 HydrophobicContact CB-CD1 4.13Å; V1615-I1621 HydrophobicContact CG1-CD1 4.39Å; V1615-I1621 HydrophobicContact CG1-CG2 4.45Å; V1615-I1621 HydrophobicContact CG2-CB 4.36Å; I1621-V1666 HydrophobicContact CG2-CB 4Å; I1621-V1666 HydrophobicContact CG2-CG1 4.47Å; I1621-V1666 PolarHBondContact N-O 3Å; I1621-V1666 PolarHBondContact O-N 3.34Å; I1621-T1669 HydrophobicContact CG2-CG2 4.03Å; I1621-L1697 HydrophobicContact CD1-CD1 3.83Å; I1621-L1697 HydrophobicContact CG2-CD1 4.26Å; I1621-L1697 HydrophobicContact CG2-CD2 4.08Å
1622	K	78.6	Confident	72.7	Confident	73 Å²	73	55.1 Å²	55.1	32%	0.317	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.8	177.2	-161.9	177.8	-170.5	-160.3	0	111.1	N1414 T1415 H1663 L1665	N1414-K1622 WeakPolarHBondContact O-CD 3.02Å; N1414-K1622 WeakPolarHBondContact O-CE 3.37Å; N1414-K1622 PolarHBondContact O-NZ 2.78Å; T1415-K1622 PolarHBondContact O-NZ 2.99Å; K1622-H1663 VanDerWaalsContact CE-CB 3.48Å; K1622-H1663 WeakPolarHBondContact CE-ND1 3.09Å; K1622-H1663 HydrophobicContact CG-CB 4.45Å; K1622-H1663 PolarHBondContact NZ-ND1 2.83Å; K1622-L1665 HydrophobicContact CB-CD1 3.98Å; K1622-L1665 HydrophobicContact CG-CD1 4.1Å
1623	L	82.4	Confident	73.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119	178	-68.4	177.9	0	0	0	111	L1613 W1637 H1663 L1664 V1666 W1678 I1695	L1613-L1623 HydrophobicContact CD1-CD2 4.15Å; L1623-W1637 HydrophobicContact CB-CH2 3.68Å; L1623-W1637 HydrophobicContact CB-CZ2 4.04Å; L1623-W1637 HydrophobicContact CB-CZ3 4.16Å; L1623-W1637 HydrophobicContact CD1-CZ3 4.44Å; L1623-W1637 WeakPolarHBondContact O-CZ2 3.08Å; L1623-H1663 WeakPolarHBondContact O-CA 3.44Å; L1623-L1664 HydrophobicContact CB-CB 4.17Å; L1623-L1664 HydrophobicContact CD1-CD2 4.11Å; L1623-L1664 PolarHBondContact N-O 3Å; L1623-L1664 PolarHBondContact O-N 3.04Å; L1623-V1666 HydrophobicContact CD1-CG2 3.63Å; L1623-V1666 HydrophobicContact CG-CG2 4.08Å; L1623-W1678 HydrophobicContact CD1-CB 4.14Å; L1623-W1678 HydrophobicContact CD1-CD2 3.48Å; L1623-W1678 VanDerWaalsContact CD1-CD2 3.48Å; L1623-W1678 HydrophobicContact CD1-CE3 3.7Å; L1623-W1678 HydrophobicContact CD1-CG 3.71Å; L1623-W1678 HydrophobicContact CD1-CZ3 4.31Å; L1623-I1695 HydrophobicContact CD2-CG2 4.23Å
1624	P	77.2	Confident	74.7	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.019	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-74.3	145.6	-174	28.9	-38	0	0	0	114.6	T1413 I1594 V1598 L1611 W1637 I1695	T1413-P1624 CarbonylContact O-C 3.45Å; T1413-P1624 WeakPolarHBondContact O-CA 3.32Å; T1413-P1624 WeakPolarHBondContact O-CB 3.48Å; I1594-P1624 HydrophobicContact CG2-CB 3.4Å; I1594-P1624 HydrophobicContact CG2-CG 3.46Å; I1594-P1624 VanDerWaalsContact CG2-CG 3.46Å; V1598-P1624 VanDerWaalsContact CG1-O 3.24Å; V1598-P1624 WeakPolarHBondContact CG1-O 3.25Å; V1598-P1624 HydrophobicContact CG2-CB 3.98Å; V1598-P1624 HydrophobicContact CG2-CG 3.89Å; L1611-P1624 HydrophobicContact CD2-CG 4.2Å; P1624-W1637 WeakPolarHBondContact O-CH2 3.08Å; P1624-W1637 WeakPolarHBondContact O-CZ2 3.05Å; P1624-I1695 HydrophobicContact CG-CD1 3.49Å; P1624-I1695 VanDerWaalsContact CG-CD1 3.49Å
1625	C	78.2	Confident	75.6	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.02	24%	0.235	C	C	.	.			trans	-165.4	133.4	166.6	-170.7	0	0	0	0	114	T1413 V1598 W1637 S1662 H1663 C1680	T1413-C1625 PolarHBondContact O-N 2.91Å; V1598-C1625 HydrophobicContact CG1-CB 3.88Å; C1625-W1637 HydrophobicContact CB-CH2 4.4Å; C1625-W1637 HydrophobicContact CB-CZ2 3.56Å; C1625-S1662 PolarHBondContact O-N 2.86Å; C1625-H1663 PolarHBondContact O-CD2 3.46Å; C1625-H1663 PolarHBondContact O-NE2 3.31Å; C1625-C1680 HydrophobicContact CB-CB 3.76Å; C1625-C1680 WeakPolarHBondContact CB-SG 3.35Å; C1625-C1680 WeakPolarHBondContact SG-CB 3.19Å; C1625-C1680 CovalentContact SG-SG 2.04Å; C1625-C1680 PolarHBondContact SG-SG 3.11Å
1626	W	73	Confident	76.3	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.3	-178.9	-72.2	71.7	0	0	0	113.1	D1330 P1331 T1413 N1414 V1598 T1599 H1600 H1653 I1659 I1661 H1663	D1330-W1626 WeakPolarHBondContact OD1-CH2 3.43Å; D1330-W1626 WeakPolarHBondContact OD1-CZ2 3.48Å; P1331-W1626 HydrophobicContact CG-CD2 4.21Å; P1331-W1626 HydrophobicContact CG-CE3 3.44Å; P1331-W1626 VanDerWaalsContact CG-CE3 3.44Å; P1331-W1626 HydrophobicContact CG-CH2 3.67Å; P1331-W1626 HydrophobicContact CG-CZ2 4.42Å; P1331-W1626 HydrophobicContact CG-CZ3 3.12Å; T1413-W1626 PolarHBondContact O-NE1 2.74Å; N1414-W1626 HydrophobicContact CB-CZ2 3.7Å; V1598-W1626 CarbonylContact O-C 3.55Å; V1598-W1626 WeakPolarHBondContact O-CA 3.23Å; V1598-W1626 PolarHBondContact O-N 2.95Å; T1599-W1626 WeakPolarHBondContact CA-O 3.05Å; T1599-W1626 HydrophobicContact CG2-CB 4.22Å; H1600-W1626 PolarHBondContact N-O 3.49Å; H1600-W1626 VanDerWaalsContact N-O 3.17Å; W1626-H1653 AromaticContact CH2-CD2 3.75Å; W1626-H1653 HydrophobicContact CZ3-CB 4.42Å; W1626-H1653 AromaticContact CZ3-CD2 3.8Å; W1626-I1659 HydrophobicContact CE3-CG2 3.39Å; W1626-I1659 HydrophobicContact CZ3-CG2 3.57Å; W1626-I1661 HydrophobicContact CD2-CG1 4.43Å; W1626-I1661 HydrophobicContact CE3-CG1 3.88Å; W1626-I1661 HydrophobicContact CH2-CD1 3.49Å; W1626-I1661 VanDerWaalsContact CH2-CD1 3.49Å; W1626-I1661 HydrophobicContact CH2-CG1 3.71Å; W1626-I1661 HydrophobicContact CH2-CG2 4.35Å; W1626-I1661 HydrophobicContact CZ2-CD1 4.15Å; W1626-I1661 HydrophobicContact CZ2-CG1 4.22Å; W1626-I1661 HydrophobicContact CZ2-CG2 4.03Å; W1626-I1661 HydrophobicContact CZ3-CD1 3.71Å; W1626-I1661 HydrophobicContact CZ3-CG1 3.5Å; W1626-H1663 AromaticContact CD1-NE2 2.93Å; W1626-H1663 AromaticContact CD2-NE2 3.53Å; W1626-H1663 AromaticContact CE2-NE2 2.65Å; W1626-H1663 AromaticContact CG-NE2 3.66Å; W1626-H1663 AromaticContact CZ2-CE1 3.78Å; W1626-H1663 AromaticContact CZ2-NE2 3.21Å; W1626-H1663 WeakPolarHBondContact CZ2-NE2 3.37Å; W1626-H1663 AromaticContact NE1-CD2 3.92Å; W1626-H1663 AromaticContact NE1-NE2 2.14Å; W1626-H1663 PolarHBondContact NE1-NE2 3.34Å
1627	I	71.9	Confident	77.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.6	-178	-47.2	85.2	0	0	0	110	H1600 F1602 P1633 V1635 I1659 W1660 A1682	H1600-I1627 CarbonylContact O-C 3.42Å; H1600-I1627 WeakPolarHBondContact O-CA 3.12Å; F1602-I1627 HydrophobicContact CE2-CG2 4.14Å; F1602-I1627 HydrophobicContact CZ-CG2 4.13Å; I1627-P1633 HydrophobicContact CB-CG 4.15Å; I1627-P1633 HydrophobicContact CG2-CB 4.1Å; I1627-P1633 HydrophobicContact CG2-CG 4.01Å; I1627-V1635 HydrophobicContact CD1-CG1 4.19Å; I1627-V1635 HydrophobicContact CD1-CG2 3.59Å; I1627-V1635 HydrophobicContact CG1-CG2 4.16Å; I1627-I1659 WeakPolarHBondContact O-CA 3.38Å; I1627-W1660 HydrophobicContact CB-CB 4.23Å; I1627-W1660 PolarHBondContact N-O 2.86Å; I1627-W1660 PolarHBondContact O-N 2.7Å; I1627-A1682 HydrophobicContact CG1-CB 3.79Å; I1627-A1682 HydrophobicContact CG2-CB 4.42Å
1628	V	65.8	Low	77.8	Confident	47 Å²	47	44.6 Å²	44.6	29%	0.285	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.7	173	-168	0	0	0	0	108.2	T1599 H1600 N1658 I1659	T1599-V1628 HydrophobicContact CG2-CG2 4.02Å; H1600-V1628 PolarHBondContact O-N 3.41Å; V1628-N1658 WeakPolarHBondContact CA-O 3.37Å; V1628-I1659 HydrophobicContact CB-CG1 4.35Å; V1628-I1659 HydrophobicContact CG1-CG1 4.05Å; V1628-I1659 HydrophobicContact CG2-CD1 4.01Å; V1628-I1659 HydrophobicContact CG2-CG1 4.02Å
1629	S	67.5	Low	78.1	Confident	13 Å²	13	40.8 Å²	40.8	9%	0.091	20%	0.195	C	C	.	.			trans	-152.7	149.1	173.8	-172.9	0	0	0	0	111.2	F1602 N1631 N1658 W1660 D1684	F1602-S1629 WeakPolarHBondContact CD2-OG 2.89Å; S1629-N1631 VanDerWaalsContact C-N 3.27Å; S1629-N1631 VanDerWaalsContact CB-O 3.32Å; S1629-N1631 WeakPolarHBondContact CB-O 3.31Å; S1629-N1631 PolarHBondContact OG-N 3.27Å; S1629-N1631 VanDerWaalsContact OG-N 3.12Å; S1629-N1631 PolarHBondContact OG-O 3.37Å; S1629-N1658 PolarHBondContact N-O 2.85Å; S1629-N1658 CarbonylContact O-C 3.54Å; S1629-N1658 WeakPolarHBondContact O-CA 3.34Å; S1629-N1658 VanDerWaalsContact O-O 3.09Å; S1629-W1660 PolarHBondContact O-NE1 3.1Å; S1629-W1660 VanDerWaalsContact O-NE1 3.16Å; S1629-D1684 PolarHBondContact OG-OD2 3.26Å
1630	Q	66.7	Low	77.9	Confident	138 Å²	138	39.9 Å²	39.9	65%	0.645	20%	0.197	S	C	*	.	S	Bend	trans	-69.1	-30.5	169.5	-56.6	-173.8	12.6	0	0	111.3
1631	N	75.1	Confident	77.6	Confident	48 Å²	48	40.8 Å²	40.8	26%	0.257	21%	0.205	S	C	.	.	S	Bend	trans	-103.2	173.3	179.4	-75.1	-15.4	0	0	0	111.3	S1629 P1633 W1660 D1684 E1686	S1629-N1631 VanDerWaalsContact C-N 3.27Å; S1629-N1631 VanDerWaalsContact CB-O 3.32Å; S1629-N1631 WeakPolarHBondContact CB-O 3.31Å; S1629-N1631 PolarHBondContact OG-N 3.27Å; S1629-N1631 VanDerWaalsContact OG-N 3.12Å; S1629-N1631 PolarHBondContact OG-O 3.37Å; N1631-P1633 VanDerWaalsContact O-CD 3.27Å; N1631-P1633 WeakPolarHBondContact O-CD 3.11Å; N1631-W1660 PolarHBondContact O-NE1 3.17Å; N1631-D1684 WeakPolarHBondContact CB-OD2 3.25Å; N1631-E1686 WeakPolarHBondContact ND2-CB 3.11Å; N1631-E1686 VanDerWaalsContact ND2-CD 3.33Å; N1631-E1686 PolarHBondContact ND2-OE2 2.84Å
1632	K	79.3	Confident	77.4	Confident	140 Å²	140	43.4 Å²	43.4	61%	0.609	22%	0.222	S	C	*	.			trans	-83.5	111	179.9	-178	174.5	179.7	-179.8	0	111	W1660	K1632-W1660 VanDerWaalsContact CA-CZ2 3.48Å; K1632-W1660 HydrophobicContact CB-CH2 3.66Å; K1632-W1660 HydrophobicContact CB-CZ2 3.82Å; K1632-W1660 HydrophobicContact CB-CZ3 4.33Å; K1632-W1660 HydrophobicContact CD-CH2 4.18Å; K1632-W1660 HydrophobicContact CD-CZ3 4.28Å; K1632-W1660 HydrophobicContact CG-CE3 4.5Å; K1632-W1660 HydrophobicContact CG-CH2 3.67Å; K1632-W1660 HydrophobicContact CG-CZ2 4.22Å; K1632-W1660 HydrophobicContact CG-CZ3 3.84Å
1633	P	80.3	Confident	77.2	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.026	23%	0.234	C	C	.	.			trans	-74.6	149.9	178.9	32.4	-34.7	0	0	0	111.3	F1602 I1627 N1631 V1635 V1650 W1660	F1602-P1633 HydrophobicContact CE2-CB 3.98Å; F1602-P1633 HydrophobicContact CZ-CB 3.83Å; I1627-P1633 HydrophobicContact CB-CG 4.15Å; I1627-P1633 HydrophobicContact CG2-CB 4.1Å; I1627-P1633 HydrophobicContact CG2-CG 4.01Å; N1631-P1633 VanDerWaalsContact O-CD 3.27Å; N1631-P1633 WeakPolarHBondContact O-CD 3.11Å; P1633-V1635 HydrophobicContact CB-CG2 4.29Å; P1633-V1635 HydrophobicContact CG-CG2 4.3Å; P1633-V1650 HydrophobicContact CG-CG1 4.19Å; P1633-W1660 HydrophobicContact CG-CB 3.91Å; P1633-W1660 HydrophobicContact CG-CD2 4.22Å; P1633-W1660 HydrophobicContact CG-CG 3.78Å
1634	H	84.3	Confident	76.9	Confident	91 Å²	91	48.5 Å²	48.5	42%	0.421	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134	162.9	176.5	-75.1	0	0	0	109	A1682 S1683	H1634-A1682 CarbonylContact O-C 3.46Å; H1634-A1682 VanDerWaalsContact O-CA 3.28Å; H1634-A1682 WeakPolarHBondContact O-CA 3.12Å; H1634-S1683 PolarHBondContact N-O 3.13Å; H1634-S1683 PolarHBondContact O-N 2.71Å
1635	V	84.7	Confident	77.3	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.9	-171.4	-170.4	0	0	0	0	112.1	I1627 P1633 V1648 V1650 E1681 A1682	I1627-V1635 HydrophobicContact CD1-CG1 4.19Å; I1627-V1635 HydrophobicContact CD1-CG2 3.59Å; I1627-V1635 HydrophobicContact CG1-CG2 4.16Å; P1633-V1635 HydrophobicContact CB-CG2 4.29Å; P1633-V1635 HydrophobicContact CG-CG2 4.3Å; V1635-V1648 HydrophobicContact CB-CG2 4.29Å; V1635-V1648 HydrophobicContact CG1-CG2 4.03Å; V1635-V1650 HydrophobicContact CB-CG2 4.01Å; V1635-V1650 HydrophobicContact CG2-CG1 4.25Å; V1635-V1650 HydrophobicContact CG2-CG2 3.7Å; V1635-E1681 WeakPolarHBondContact CA-O 3.3Å; V1635-A1682 HydrophobicContact CG2-CB 4.13Å
1636	Q	86.8	Confident	77.5	Confident	37 Å²	37	58.5 Å²	58.5	17%	0.173	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.9	176.3	63.2	-169.3	-46.2	0	0	112.5	R1645 E1681	Q1636-R1645 VanDerWaalsContact NE2-NH1 3.17Å; Q1636-E1681 HydrophobicContact CG-CB 4.01Å; Q1636-E1681 HydrophobicContact CG-CG 4.31Å; Q1636-E1681 PolarHBondContact N-O 2.75Å; Q1636-E1681 PolarHBondContact NE2-OE2 3.47Å; Q1636-E1681 PolarHBondContact O-N 3.33Å
1637	W	90	Very high	77.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	150.7	169.4	-79.8	86.9	0	0	0	111.7	L1623 P1624 C1625 R1645 Y1646 S1662 L1664 W1678 V1679 C1680 I1695	L1623-W1637 HydrophobicContact CB-CH2 3.68Å; L1623-W1637 HydrophobicContact CB-CZ2 4.04Å; L1623-W1637 HydrophobicContact CB-CZ3 4.16Å; L1623-W1637 HydrophobicContact CD1-CZ3 4.44Å; L1623-W1637 WeakPolarHBondContact O-CZ2 3.08Å; P1624-W1637 WeakPolarHBondContact O-CH2 3.08Å; P1624-W1637 WeakPolarHBondContact O-CZ2 3.05Å; C1625-W1637 HydrophobicContact CB-CH2 4.4Å; C1625-W1637 HydrophobicContact CB-CZ2 3.56Å; W1637-R1645 CarbonylContact O-C 3.49Å; W1637-R1645 VanDerWaalsContact O-CA 3.25Å; W1637-R1645 WeakPolarHBondContact O-CA 3.39Å; W1637-Y1646 PolarHBondContact N-O 3Å; W1637-Y1646 PolarHBondContact O-N 2.91Å; W1637-S1662 PolarHBondContact NE1-O 3.34Å; W1637-L1664 HydrophobicContact CB-CD2 3.92Å; W1637-L1664 HydrophobicContact CD2-CB 3.88Å; W1637-L1664 HydrophobicContact CD2-CD2 3.97Å; W1637-L1664 HydrophobicContact CE3-CD2 4.25Å; W1637-L1664 HydrophobicContact CG-CB 3.91Å; W1637-L1664 HydrophobicContact CG-CD2 3.85Å; W1637-L1664 HydrophobicContact CG-CG 4.46Å; W1637-L1664 HydrophobicContact CZ2-CB 4.15Å; W1637-W1678 HydrophobicContact CE3-CB 4.41Å; W1637-W1678 HydrophobicContact CZ3-CB 4.07Å; W1637-V1679 CarbonylContact C-O 3.48Å; W1637-V1679 VanDerWaalsContact CA-O 3.28Å; W1637-V1679 WeakPolarHBondContact CA-O 3.45Å; W1637-V1679 VanDerWaalsContact CE3-O 3.28Å; W1637-C1680 HydrophobicContact CD2-CB 4.12Å; W1637-C1680 HydrophobicContact CE3-CB 4.24Å; W1637-C1680 HydrophobicContact CH2-CB 4.26Å; W1637-C1680 HydrophobicContact CZ2-CB 4.15Å; W1637-C1680 HydrophobicContact CZ3-CB 4.29Å; W1637-I1695 HydrophobicContact CH2-CD1 3.76Å; W1637-I1695 HydrophobicContact CZ3-CD1 4.21Å
1638	I	85.6	Confident	78	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.108	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.8	179.6	-41.7	179.1	0	0	0	109	P1640 K1644 R1645 V1679 E1681	I1638-P1640 WeakPolarHBondContact O-CD 3.5Å; I1638-K1644 WeakPolarHBondContact CA-O 3.33Å; I1638-R1645 HydrophobicContact CG1-CG 4.35Å; I1638-R1645 HydrophobicContact CG2-CG 4.5Å; I1638-V1679 HydrophobicContact CB-CB 4.25Å; I1638-V1679 HydrophobicContact CD1-CG1 4.48Å; I1638-V1679 PolarHBondContact N-O 2.74Å; I1638-V1679 PolarHBondContact O-N 2.93Å; I1638-E1681 HydrophobicContact CD1-CB 4.28Å
1639	H	82.3	Confident	78.6	Confident	6 Å²	6	67.3 Å²	67.3	3%	0.028	35%	0.354	C	S	.	.			trans	-99.5	96.5	169.4	-176.3	-112.8	0	0	0	109.7	L1641 T1642 G1643 K1644 G1677 W1678	H1639-L1641 PolarHBondContact O-N 2.83Å; H1639-T1642 WeakPolarHBondContact ND1-CG2 2.76Å; H1639-T1642 PolarHBondContact ND1-N 2.89Å; H1639-T1642 PolarHBondContact ND1-OG1 3.39Å; H1639-T1642 PolarHBondContact O-N 3.12Å; H1639-G1643 PolarHBondContact O-N 1.93Å; H1639-K1644 PolarHBondContact N-O 3.41Å; H1639-G1677 PolarHBondContact CD2-O 3.07Å; H1639-W1678 HydrophobicContact CB-CD2 4.5Å; H1639-W1678 HydrophobicContact CB-CE3 4.14Å; H1639-W1678 HydrophobicContact CB-CH2 4.46Å; H1639-W1678 HydrophobicContact CB-CZ3 4.11Å; H1639-W1678 AromaticContact CD2-CD1 3.99Å; H1639-W1678 AromaticContact CD2-CD2 3.65Å; H1639-W1678 AromaticContact CD2-CE2 3.43Å; H1639-W1678 VanDerWaalsContact CD2-CE2 3.43Å; H1639-W1678 AromaticContact CD2-CZ2 3.78Å; H1639-W1678 AromaticContact CD2-NE1 3.62Å; H1639-W1678 AromaticContact NE2-NE1 3.92Å
1640	P	71.3	Confident	79.2	Confident	77 Å²	77	67.9 Å²	67.9	50%	0.5	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-29.8	-174.4	12.5	-30.6	0	0	0	116.2	I1638 G1677 V1679	I1638-P1640 WeakPolarHBondContact O-CD 3.5Å; P1640-G1677 WeakPolarHBondContact CD-O 3.47Å; P1640-G1677 VanDerWaalsContact CG-O 3.3Å; P1640-G1677 WeakPolarHBondContact CG-O 2.89Å; P1640-V1679 HydrophobicContact CG-CG2 4.2Å
1641	L	69.5	Low	79.7	Confident	127 Å²	127	67.5 Å²	67.5	67%	0.665	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.8	177.4	-85.2	166.7	0	0	0	114.5	H1639	H1639-L1641 PolarHBondContact O-N 2.83Å
1642	T	74.4	Confident	79.5	Confident	78 Å²	78	69.4 Å²	69.4	48%	0.479	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-3.2	179.7	61.1	0	0	0	0	113.9	H1639 K1644	H1639-T1642 WeakPolarHBondContact ND1-CG2 2.76Å; H1639-T1642 PolarHBondContact ND1-N 2.89Å; H1639-T1642 PolarHBondContact ND1-OG1 3.39Å; H1639-T1642 PolarHBondContact O-N 3.12Å; T1642-K1644 PolarHBondContact O-N 2.52Å
1643	G	74.6	Confident	79	Confident	54 Å²	54	63.3 Å²	63.3	56%	0.557	34%	0.335	S	S	*	.			trans	66	-4.2	-178.7	0	0	0	0	0	115.3	H1639 R1645	H1639-G1643 PolarHBondContact O-N 1.93Å; G1643-R1645 PolarHBondContact O-N 2.64Å
1644	K	76.1	Confident	77.8	Confident	126 Å²	126	67.3 Å²	67.3	55%	0.548	36%	0.364	S	S	.	.			trans	-63.2	131.1	-179.4	-80	-171.3	174.3	-179.7	0	110.8	I1638 H1639 T1642 Y1646	I1638-K1644 WeakPolarHBondContact CA-O 3.33Å; H1639-K1644 PolarHBondContact N-O 3.41Å; T1642-K1644 PolarHBondContact O-N 2.52Å; K1644-Y1646 HydrophobicContact CB-CD2 4.37Å; K1644-Y1646 HydrophobicContact CB-CE2 3.57Å; K1644-Y1646 WeakPolarHBondContact CD-OH 2.34Å
1645	R	84.9	Confident	76	Confident	138 Å²	138	66.2 Å²	66.2	52%	0.521	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.1	169.2	-65.2	177.8	175.4	-95.4	-0.5	109.4	Q1636 W1637 I1638 G1643 E1681	Q1636-R1645 VanDerWaalsContact NE2-NH1 3.17Å; W1637-R1645 CarbonylContact O-C 3.49Å; W1637-R1645 VanDerWaalsContact O-CA 3.25Å; W1637-R1645 WeakPolarHBondContact O-CA 3.39Å; I1638-R1645 HydrophobicContact CG1-CG 4.35Å; I1638-R1645 HydrophobicContact CG2-CG 4.5Å; G1643-R1645 PolarHBondContact O-N 2.64Å; R1645-E1681 IonicContact CZ-OE2 3.87Å; R1645-E1681 IonicContact NH1-OE2 2.85Å; R1645-E1681 PolarHBondContact NH1-OE2 3.3Å; R1645-E1681 IonicContact NH2-OE2 3.98Å
1646	Y	83.3	Confident	74.6	Confident	78 Å²	78	66.3 Å²	66.3	31%	0.306	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	99.9	178.7	-58.8	-96.3	0	0	0	108.1	W1637 K1644 W1678	W1637-Y1646 PolarHBondContact N-O 3Å; W1637-Y1646 PolarHBondContact O-N 2.91Å; K1644-Y1646 HydrophobicContact CB-CD2 4.37Å; K1644-Y1646 HydrophobicContact CB-CE2 3.57Å; K1644-Y1646 WeakPolarHBondContact CD-OH 2.34Å; Y1646-W1678 HydrophobicContact CE2-CZ3 4.13Å
1647	P	77	Confident	73.7	Confident	109 Å²	109	72.6 Å²	72.6	71%	0.708	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	143.1	175.3	29.6	-33.9	0	0	0	109.8
1648	V	78	Confident	72.7	Confident	32 Å²	32	74.8 Å²	74.8	19%	0.194	40%	0.398	C	S	.	.			trans	-129.9	147.6	-174.8	-87.5	0	0	0	0	110.5	V1635 S1662	V1635-V1648 HydrophobicContact CB-CG2 4.29Å; V1635-V1648 HydrophobicContact CG1-CG2 4.03Å; V1648-S1662 WeakPolarHBondContact CB-OG 3.26Å; V1648-S1662 WeakPolarHBondContact CG2-OG 3.42Å
1649	T	78.9	Confident	71.8	Confident	94 Å²	94	74.4 Å²	74.4	58%	0.577	40%	0.396	S	S	*	.			trans	-73.8	146.7	173.2	47.3	0	0	0	0	110	H1651 S1662	T1649-H1651 WeakPolarHBondContact CB-NE2 2.6Å; T1649-H1651 PolarHBondContact OG1-NE2 2.91Å; T1649-S1662 PolarHBondContact O-OG 2.9Å
1650	V	79.1	Confident	71.5	Confident	24 Å²	24	75.2 Å²	75.2	15%	0.145	40%	0.398	C	S	.	.			trans	-115.3	120.6	-175.8	-159.9	0	0	0	0	108.8	P1633 V1635 W1660 I1661	P1633-V1650 HydrophobicContact CG-CG1 4.19Å; V1635-V1650 HydrophobicContact CB-CG2 4.01Å; V1635-V1650 HydrophobicContact CG2-CG1 4.25Å; V1635-V1650 HydrophobicContact CG2-CG2 3.7Å; V1650-W1660 HydrophobicContact CB-CE3 4.47Å; V1650-W1660 HydrophobicContact CG1-CB 3.71Å; V1650-W1660 HydrophobicContact CG1-CD2 4.32Å; V1650-W1660 HydrophobicContact CG1-CE3 3.83Å; V1650-W1660 HydrophobicContact CG1-CG 4.34Å; V1650-I1661 WeakPolarHBondContact CA-O 2.97Å
1651	H	78.4	Confident	71.9	Confident	131 Å²	131	72.7 Å²	72.7	61%	0.606	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.4	-174.9	-57.8	-84.5	0	0	0	110.2	T1649 W1660 I1661	T1649-H1651 WeakPolarHBondContact CB-NE2 2.6Å; T1649-H1651 PolarHBondContact OG1-NE2 2.91Å; H1651-W1660 CarbonylContact O-C 3.55Å; H1651-W1660 WeakPolarHBondContact O-CA 3.23Å; H1651-I1661 HydrophobicContact CB-CB 4.48Å; H1651-I1661 PolarHBondContact N-O 2.99Å; H1651-I1661 VanDerWaalsContact N-O 3.08Å; H1651-I1661 PolarHBondContact O-N 3.18Å
1652	H	71.7	Confident	72.5	Confident	88 Å²	88	66.8 Å²	66.8	41%	0.407	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	152	171.2	-102.5	-35.9	0	0	0	111.3	K1657 I1659 W1660	H1652-K1657 VanDerWaalsContact CE1-C 3.48Å; H1652-K1657 PolarHBondContact CE1-O 3.23Å; H1652-I1659 PolarHBondContact ND1-O 2.87Å; H1652-I1659 VanDerWaalsContact ND1-O 3.16Å; H1652-W1660 AromaticContact CE1-CD2 3.87Å; H1652-W1660 AromaticContact CE1-CE2 3.36Å; H1652-W1660 AromaticContact CE1-CH2 3.4Å; H1652-W1660 WeakPolarHBondContact CE1-CH2 3.27Å; H1652-W1660 AromaticContact CE1-CZ2 3.12Å; H1652-W1660 WeakPolarHBondContact CE1-CZ2 3.12Å; H1652-W1660 AromaticContact CE1-CZ3 3.86Å; H1652-W1660 AromaticContact CE1-NE1 3.95Å; H1652-W1660 AromaticContact ND1-CD2 3.82Å; H1652-W1660 AromaticContact ND1-CE2 3.79Å; H1652-W1660 AromaticContact ND1-CE3 3.88Å; H1652-W1660 AromaticContact ND1-CH2 3.97Å; H1652-W1660 AromaticContact ND1-CZ2 3.89Å; H1652-W1660 AromaticContact ND1-CZ3 3.96Å; H1652-W1660 AromaticContact NE2-CH2 3.44Å; H1652-W1660 WeakPolarHBondContact NE2-CH2 3.26Å; H1652-W1660 AromaticContact NE2-CZ2 3.56Å
1653	H	67.6	Low	72.9	Confident	11 Å²	11	64.8 Å²	64.8	5%	0.051	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	137.7	166	-171.1	-88.5	0	0	0	111.7	S1332 Y1583 W1626 E1655 N1656 I1659 I1661	S1332-H1653 WeakPolarHBondContact CB-CE1 3.32Å; S1332-H1653 WeakPolarHBondContact CB-NE2 3.31Å; Y1583-H1653 AromaticContact CE1-CE1 3.74Å; Y1583-H1653 AromaticContact CE1-ND1 3.51Å; W1626-H1653 AromaticContact CH2-CD2 3.75Å; W1626-H1653 HydrophobicContact CZ3-CB 4.42Å; W1626-H1653 AromaticContact CZ3-CD2 3.8Å; H1653-E1655 PolarHBondContact CE1-N 2.89Å; H1653-E1655 IonicContact CE1-OE2 2.64Å; H1653-E1655 PolarHBondContact CE1-OE2 3.17Å; H1653-E1655 PolarHBondContact ND1-N 2.96Å; H1653-E1655 VanDerWaalsContact ND1-N 3.1Å; H1653-E1655 PolarHBondContact O-N 2.8Å; H1653-E1655 VanDerWaalsContact O-N 3.17Å; H1653-N1656 HydrophobicContact CB-CB 4.24Å; H1653-N1656 PolarHBondContact O-N 2.76Å; H1653-N1656 VanDerWaalsContact O-N 3.1Å; H1653-I1659 HydrophobicContact CB-CB 4.23Å; H1653-I1659 HydrophobicContact CB-CG2 4.08Å; H1653-I1659 PolarHBondContact N-O 2.85Å; H1653-I1659 VanDerWaalsContact N-O 3.09Å; H1653-I1661 HydrophobicContact CB-CD1 4.36Å
1654	S	55.4	Low	73.4	Confident	89 Å²	89	63.3 Å²	63.3	62%	0.622	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-37.2	-175.7	47.7	0	0	0	0	113.9
1655	E	47.1	Very low	73.7	Confident	67 Å²	67	61.5 Å²	61.5	31%	0.313	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-4	-178.2	-62	163.9	138.8	0	0	113.6	S1332 Y1583 E1584 M1585 H1653	S1332-E1655 WeakPolarHBondContact CA-OE2 3.46Å; S1332-E1655 WeakPolarHBondContact CB-OE2 3.17Å; Y1583-E1655 HydrophobicContact CD1-CB 4.02Å; Y1583-E1655 WeakPolarHBondContact CD1-OE2 3.11Å; Y1583-E1655 HydrophobicContact CE1-CB 3.93Å; E1584-E1655 VanDerWaalsContact CA-OE1 3.26Å; E1584-E1655 WeakPolarHBondContact CA-OE1 3.46Å; E1584-E1655 VanDerWaalsContact CB-OE1 3.31Å; E1584-E1655 WeakPolarHBondContact CB-OE1 3.48Å; M1585-E1655 HydrophobicContact CE-CG 3.93Å; M1585-E1655 WeakPolarHBondContact CE-OE1 3.14Å; H1653-E1655 PolarHBondContact CE1-N 2.89Å; H1653-E1655 IonicContact CE1-OE2 2.64Å; H1653-E1655 PolarHBondContact CE1-OE2 3.17Å; H1653-E1655 PolarHBondContact ND1-N 2.96Å; H1653-E1655 VanDerWaalsContact ND1-N 3.1Å; H1653-E1655 PolarHBondContact O-N 2.8Å; H1653-E1655 VanDerWaalsContact O-N 3.17Å
1656	N	55	Low	73.6	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.032	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	115.4	-170.5	-174.6	-2.1	0	0	0	114.2	L1581 Y1583 H1653 N1658 I1659	L1581-N1656 WeakPolarHBondContact CB-ND2 3.01Å; L1581-N1656 WeakPolarHBondContact CD1-OD1 2.98Å; L1581-N1656 HydrophobicContact CD2-CB 4.13Å; Y1583-N1656 HydrophobicContact CE1-CB 3.91Å; Y1583-N1656 WeakPolarHBondContact OH-CB 2.95Å; Y1583-N1656 PolarHBondContact OH-ND2 3.42Å; H1653-N1656 HydrophobicContact CB-CB 4.24Å; H1653-N1656 PolarHBondContact O-N 2.76Å; H1653-N1656 VanDerWaalsContact O-N 3.1Å; N1656-N1658 VanDerWaalsContact C-N 3.27Å; N1656-N1658 PolarHBondContact O-N 3.06Å; N1656-N1658 WeakPolarHBondContact OD1-CB 3.26Å; N1656-N1658 PolarHBondContact OD1-N 3.3Å; N1656-I1659 HydrophobicContact CB-CB 4.49Å; N1656-I1659 WeakPolarHBondContact ND2-CG1 3.35Å; N1656-I1659 PolarHBondContact O-N 2.99Å
1657	K	67.5	Low	73.6	Confident	168 Å²	168	57.1 Å²	57.1	73%	0.73	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	-1.3	176.8	-63.5	-173.2	177.8	-176.1	0	115.4	H1652	H1652-K1657 VanDerWaalsContact CE1-C 3.48Å; H1652-K1657 PolarHBondContact CE1-O 3.23Å
1658	N	68.3	Low	73.9	Confident	47 Å²	47	56 Å²	56	25%	0.251	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	3.2	178	-60.8	5.5	0	0	0	112.2	L1581 V1628 S1629 N1656	L1581-N1658 HydrophobicContact CD1-CB 4.32Å; V1628-N1658 WeakPolarHBondContact CA-O 3.37Å; S1629-N1658 PolarHBondContact N-O 2.85Å; S1629-N1658 CarbonylContact O-C 3.54Å; S1629-N1658 WeakPolarHBondContact O-CA 3.34Å; S1629-N1658 VanDerWaalsContact O-O 3.09Å; N1656-N1658 VanDerWaalsContact C-N 3.27Å; N1656-N1658 PolarHBondContact O-N 3.06Å; N1656-N1658 WeakPolarHBondContact OD1-CB 3.26Å; N1656-N1658 PolarHBondContact OD1-N 3.3Å
1659	I	66.8	Low	74	Confident	13 Å²	13	54.5 Å²	54.5	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.6	-179.1	-71.9	-168.6	0	0	0	111.5	P1331 W1626 I1627 V1628 H1652 H1653 N1656	P1331-I1659 HydrophobicContact CB-CD1 4.01Å; P1331-I1659 HydrophobicContact CG-CD1 4.42Å; P1331-I1659 HydrophobicContact CG-CG2 4.17Å; W1626-I1659 HydrophobicContact CE3-CG2 3.39Å; W1626-I1659 HydrophobicContact CZ3-CG2 3.57Å; I1627-I1659 WeakPolarHBondContact O-CA 3.38Å; V1628-I1659 HydrophobicContact CB-CG1 4.35Å; V1628-I1659 HydrophobicContact CG1-CG1 4.05Å; V1628-I1659 HydrophobicContact CG2-CD1 4.01Å; V1628-I1659 HydrophobicContact CG2-CG1 4.02Å; H1652-I1659 PolarHBondContact ND1-O 2.87Å; H1652-I1659 VanDerWaalsContact ND1-O 3.16Å; H1653-I1659 HydrophobicContact CB-CB 4.23Å; H1653-I1659 HydrophobicContact CB-CG2 4.08Å; H1653-I1659 PolarHBondContact N-O 2.85Å; H1653-I1659 VanDerWaalsContact N-O 3.09Å; N1656-I1659 HydrophobicContact CB-CB 4.49Å; N1656-I1659 WeakPolarHBondContact ND2-CG1 3.35Å; N1656-I1659 PolarHBondContact O-N 2.99Å
1660	W	77.2	Confident	74.2	Confident	22 Å²	22	53.6 Å²	53.6	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.9	-165.9	-63.2	97	0	0	0	110.8	I1627 S1629 N1631 K1632 P1633 V1650 H1651 H1652	I1627-W1660 HydrophobicContact CB-CB 4.23Å; I1627-W1660 PolarHBondContact N-O 2.86Å; I1627-W1660 PolarHBondContact O-N 2.7Å; S1629-W1660 PolarHBondContact O-NE1 3.1Å; S1629-W1660 VanDerWaalsContact O-NE1 3.16Å; N1631-W1660 PolarHBondContact O-NE1 3.17Å; K1632-W1660 VanDerWaalsContact CA-CZ2 3.48Å; K1632-W1660 HydrophobicContact CB-CH2 3.66Å; K1632-W1660 HydrophobicContact CB-CZ2 3.82Å; K1632-W1660 HydrophobicContact CB-CZ3 4.33Å; K1632-W1660 HydrophobicContact CD-CH2 4.18Å; K1632-W1660 HydrophobicContact CD-CZ3 4.28Å; K1632-W1660 HydrophobicContact CG-CE3 4.5Å; K1632-W1660 HydrophobicContact CG-CH2 3.67Å; K1632-W1660 HydrophobicContact CG-CZ2 4.22Å; K1632-W1660 HydrophobicContact CG-CZ3 3.84Å; P1633-W1660 HydrophobicContact CG-CB 3.91Å; P1633-W1660 HydrophobicContact CG-CD2 4.22Å; P1633-W1660 HydrophobicContact CG-CG 3.78Å; V1650-W1660 HydrophobicContact CB-CE3 4.47Å; V1650-W1660 HydrophobicContact CG1-CB 3.71Å; V1650-W1660 HydrophobicContact CG1-CD2 4.32Å; V1650-W1660 HydrophobicContact CG1-CE3 3.83Å; V1650-W1660 HydrophobicContact CG1-CG 4.34Å; H1651-W1660 CarbonylContact O-C 3.55Å; H1651-W1660 WeakPolarHBondContact O-CA 3.23Å; H1652-W1660 AromaticContact CE1-CD2 3.87Å; H1652-W1660 AromaticContact CE1-CE2 3.36Å; H1652-W1660 AromaticContact CE1-CH2 3.4Å; H1652-W1660 WeakPolarHBondContact CE1-CH2 3.27Å; H1652-W1660 AromaticContact CE1-CZ2 3.12Å; H1652-W1660 WeakPolarHBondContact CE1-CZ2 3.12Å; H1652-W1660 AromaticContact CE1-CZ3 3.86Å; H1652-W1660 AromaticContact CE1-NE1 3.95Å; H1652-W1660 AromaticContact ND1-CD2 3.82Å; H1652-W1660 AromaticContact ND1-CE2 3.79Å; H1652-W1660 AromaticContact ND1-CE3 3.88Å; H1652-W1660 AromaticContact ND1-CH2 3.97Å; H1652-W1660 AromaticContact ND1-CZ2 3.89Å; H1652-W1660 AromaticContact ND1-CZ3 3.96Å; H1652-W1660 AromaticContact NE2-CH2 3.44Å; H1652-W1660 WeakPolarHBondContact NE2-CH2 3.26Å; H1652-W1660 AromaticContact NE2-CZ2 3.56Å
1661	I	79.3	Confident	74.2	Confident	24 Å²	24	54.9 Å²	54.9	12%	0.123	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.1	-165.8	-46.3	-177.2	0	0	0	109.9	W1626 V1650 H1651 H1653 H1663	W1626-I1661 HydrophobicContact CD2-CG1 4.43Å; W1626-I1661 HydrophobicContact CE3-CG1 3.88Å; W1626-I1661 HydrophobicContact CH2-CD1 3.49Å; W1626-I1661 VanDerWaalsContact CH2-CD1 3.49Å; W1626-I1661 HydrophobicContact CH2-CG1 3.71Å; W1626-I1661 HydrophobicContact CH2-CG2 4.35Å; W1626-I1661 HydrophobicContact CZ2-CD1 4.15Å; W1626-I1661 HydrophobicContact CZ2-CG1 4.22Å; W1626-I1661 HydrophobicContact CZ2-CG2 4.03Å; W1626-I1661 HydrophobicContact CZ3-CD1 3.71Å; W1626-I1661 HydrophobicContact CZ3-CG1 3.5Å; V1650-I1661 WeakPolarHBondContact CA-O 2.97Å; H1651-I1661 HydrophobicContact CB-CB 4.48Å; H1651-I1661 PolarHBondContact N-O 2.99Å; H1651-I1661 VanDerWaalsContact N-O 3.08Å; H1651-I1661 PolarHBondContact O-N 3.18Å; H1653-I1661 HydrophobicContact CB-CD1 4.36Å; I1661-H1663 WeakPolarHBondContact CG2-CE1 3.3Å; I1661-H1663 WeakPolarHBondContact CG2-NE2 2.95Å
1662	S	82.1	Confident	74	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.021	29%	0.287	C	S	.	.			trans	-155	61.1	-176	-141.7	0	0	0	0	114.8	C1625 W1637 V1648 T1649	C1625-S1662 PolarHBondContact O-N 2.86Å; W1637-S1662 PolarHBondContact NE1-O 3.34Å; V1648-S1662 WeakPolarHBondContact CB-OG 3.26Å; V1648-S1662 WeakPolarHBondContact CG2-OG 3.42Å; T1649-S1662 PolarHBondContact O-OG 2.9Å
1663	H	82.8	Confident	74.3	Confident	36 Å²	36	58.8 Å²	58.8	17%	0.167	30%	0.295	C	S	.	.			trans	-72.1	156.3	-179.9	-42.5	131.2	0	0	0	113	T1413 N1414 T1415 K1622 L1623 C1625 W1626 I1661	T1413-H1663 PolarHBondContact O-CD2 2.92Å; T1413-H1663 PolarHBondContact O-NE2 2.63Å; N1414-H1663 PolarHBondContact N-NE2 2.96Å; N1414-H1663 PolarHBondContact O-CE1 2.98Å; N1414-H1663 PolarHBondContact O-ND1 2.87Å; T1415-H1663 PolarHBondContact OG1-CE1 2.79Å; K1622-H1663 VanDerWaalsContact CE-CB 3.48Å; K1622-H1663 WeakPolarHBondContact CE-ND1 3.09Å; K1622-H1663 HydrophobicContact CG-CB 4.45Å; K1622-H1663 PolarHBondContact NZ-ND1 2.83Å; L1623-H1663 WeakPolarHBondContact O-CA 3.44Å; C1625-H1663 PolarHBondContact O-CD2 3.46Å; C1625-H1663 PolarHBondContact O-NE2 3.31Å; W1626-H1663 AromaticContact CD1-NE2 2.93Å; W1626-H1663 AromaticContact CD2-NE2 3.53Å; W1626-H1663 AromaticContact CE2-NE2 2.65Å; W1626-H1663 AromaticContact CG-NE2 3.66Å; W1626-H1663 AromaticContact CZ2-CE1 3.78Å; W1626-H1663 AromaticContact CZ2-NE2 3.21Å; W1626-H1663 WeakPolarHBondContact CZ2-NE2 3.37Å; W1626-H1663 AromaticContact NE1-CD2 3.92Å; W1626-H1663 AromaticContact NE1-NE2 2.14Å; W1626-H1663 PolarHBondContact NE1-NE2 3.34Å; I1661-H1663 WeakPolarHBondContact CG2-CE1 3.3Å; I1661-H1663 WeakPolarHBondContact CG2-NE2 2.95Å
1664	L	84.4	Confident	75.1	Confident	23 Å²	23	60.1 Å²	60.1	12%	0.12	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.8	169.7	174.5	63.5	0	0	0	109.7	L1623 W1637 V1666 W1678	L1623-L1664 HydrophobicContact CB-CB 4.17Å; L1623-L1664 HydrophobicContact CD1-CD2 4.11Å; L1623-L1664 PolarHBondContact N-O 3Å; L1623-L1664 PolarHBondContact O-N 3.04Å; W1637-L1664 HydrophobicContact CB-CD2 3.92Å; W1637-L1664 HydrophobicContact CD2-CB 3.88Å; W1637-L1664 HydrophobicContact CD2-CD2 3.97Å; W1637-L1664 HydrophobicContact CE3-CD2 4.25Å; W1637-L1664 HydrophobicContact CG-CB 3.91Å; W1637-L1664 HydrophobicContact CG-CD2 3.85Å; W1637-L1664 HydrophobicContact CG-CG 4.46Å; W1637-L1664 HydrophobicContact CZ2-CB 4.15Å; L1664-V1666 HydrophobicContact CG-CG2 4.49Å; L1664-W1678 HydrophobicContact CD2-CE3 3.81Å; L1664-W1678 HydrophobicContact CD2-CZ3 3.57Å
1665	L	83.2	Confident	76.4	Confident	88 Å²	88	57.9 Å²	57.9	46%	0.461	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.5	177.9	-172.1	60.6	0	0	0	109.4	K1622 H1667	K1622-L1665 HydrophobicContact CB-CD1 3.98Å; K1622-L1665 HydrophobicContact CG-CD1 4.1Å; L1665-H1667 VanDerWaalsContact CD2-NE2 3.33Å; L1665-H1667 WeakPolarHBondContact CD2-NE2 3.32Å
1666	V	83.1	Confident	77.9	Confident	9 Å²	9	55.5 Å²	55.5	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	106.5	-179.1	-179.1	0	0	0	0	108.1	I1621 L1623 L1664 H1674 W1678	I1621-V1666 HydrophobicContact CG2-CB 4Å; I1621-V1666 HydrophobicContact CG2-CG1 4.47Å; I1621-V1666 PolarHBondContact N-O 3Å; I1621-V1666 PolarHBondContact O-N 3.34Å; L1623-V1666 HydrophobicContact CD1-CG2 3.63Å; L1623-V1666 HydrophobicContact CG-CG2 4.08Å; L1664-V1666 HydrophobicContact CG-CG2 4.49Å; V1666-H1674 HydrophobicContact CG1-CB 4.38Å; V1666-H1674 WeakPolarHBondContact CG1-ND1 3.44Å; V1666-W1678 HydrophobicContact CG2-CH2 4.22Å; V1666-W1678 HydrophobicContact CG2-CZ2 4.32Å
1667	H	83.1	Confident	79	Confident	115 Å²	115	56.2 Å²	56.2	53%	0.532	29%	0.286	S	S	.	.			trans	-88.7	149	176.5	-62	-96.1	0	0	0	111.7	H1620 L1665	H1620-H1667 AromaticContact CE1-CG 3.94Å; H1620-H1667 AromaticContact CE1-ND1 3.4Å; H1620-H1667 PolarHBondContact CE1-ND1 3.2Å; H1620-H1667 WeakPolarHBondContact ND1-CA 3.44Å; H1620-H1667 WeakPolarHBondContact ND1-CB 3.33Å; H1620-H1667 AromaticContact ND1-CG 3.53Å; H1620-H1667 AromaticContact ND1-ND1 3.07Å; H1620-H1667 PolarHBondContact ND1-ND1 2.66Å; L1665-H1667 VanDerWaalsContact CD2-NE2 3.33Å; L1665-H1667 WeakPolarHBondContact CD2-NE2 3.32Å
1668	N	82.1	Confident	80	Confident	86 Å²	86	48.6 Å²	48.6	46%	0.46	25%	0.252	S	S	.	.	S	Bend	trans	55.3	66	166.5	-157.7	-20.2	0	0	0	111.7	E1619	E1619-N1668 WeakPolarHBondContact O-CA 3.47Å; E1619-N1668 PolarHBondContact O-N 2.73Å
1669	T	81.4	Confident	80.7	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.			trans	-55.8	140.3	-173	49.4	0	0	0	0	112.4	V1615 L1616 N1618 E1619 I1621	V1615-T1669 HydrophobicContact CG1-CG2 3.79Å; V1615-T1669 HydrophobicContact CG2-CG2 4.36Å; L1616-T1669 PolarHBondContact O-OG1 2.59Å; N1618-T1669 WeakPolarHBondContact CA-O 3.14Å; N1618-T1669 PolarHBondContact N-O 2.89Å; N1618-T1669 PolarHBondContact N-OG1 2.93Å; N1618-T1669 VanDerWaalsContact N-OG1 3.1Å; E1619-T1669 PolarHBondContact N-OG1 3.39Å; E1619-T1669 WeakPolarHBondContact O-CG2 3.27Å; E1619-T1669 PolarHBondContact O-N 2.9Å; E1619-T1669 PolarHBondContact O-OG1 2.84Å; I1621-T1669 HydrophobicContact CG2-CG2 4.03Å
1670	K	82.2	Confident	81.6	Confident	76 Å²	76	46.6 Å²	46.6	33%	0.33	24%	0.243	S	C	.	.			trans	-131.9	127.4	177.8	-71.6	-61.3	-176.7	-168.1	0	110.2	N1618 Q1672 L1673 H1674	N1618-K1670 PolarHBondContact OD1-NZ 2.74Å; K1670-Q1672 PolarHBondContact O-N 3.35Å; K1670-Q1672 VanDerWaalsContact O-N 3.1Å; K1670-L1673 HydrophobicContact CB-CB 4.06Å; K1670-L1673 HydrophobicContact CB-CD1 4.07Å; K1670-L1673 HydrophobicContact CB-CG 4.37Å; K1670-L1673 HydrophobicContact CG-CD1 4.3Å; K1670-L1673 PolarHBondContact O-N 2.94Å; K1670-H1674 PolarHBondContact O-N 2.7Å; K1670-H1674 VanDerWaalsContact O-N 3.12Å
1671	T	79.5	Confident	81.9	Confident	50 Å²	50	47.2 Å²	47.2	31%	0.307	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.1	-172.2	-57	0	0	0	0	112.8	E1617 T1675	E1617-T1671 WeakPolarHBondContact OE1-CB 3.31Å; E1617-T1671 PolarHBondContact OE1-N 3.45Å; E1617-T1671 PolarHBondContact OE1-OG1 2.58Å; E1617-T1671 VanDerWaalsContact OE1-OG1 3.09Å; E1617-T1671 PolarHBondContact OE2-OG1 2.81Å; T1671-T1675 WeakPolarHBondContact O-CB 3.26Å; T1671-T1675 PolarHBondContact O-OG1 3.19Å
1672	Q	74.2	Confident	82.1	Confident	192 Å²	192	46.2 Å²	46.2	90%	0.897	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-10	178.7	-61.7	-174.8	-3	0	0	115.5	K1670	K1670-Q1672 PolarHBondContact O-N 3.35Å; K1670-Q1672 VanDerWaalsContact O-N 3.1Å
1673	L	78.2	Confident	81.9	Confident	109 Å²	109	47.9 Å²	47.9	57%	0.571	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-32.7	-172.3	-72.1	168.6	0	0	0	114.5	K1670	K1670-L1673 HydrophobicContact CB-CB 4.06Å; K1670-L1673 HydrophobicContact CB-CD1 4.07Å; K1670-L1673 HydrophobicContact CB-CG 4.37Å; K1670-L1673 HydrophobicContact CG-CD1 4.3Å; K1670-L1673 PolarHBondContact O-N 2.94Å
1674	H	84.6	Confident	81.4	Confident	39 Å²	39	46.5 Å²	46.5	18%	0.181	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-15.1	-171.3	-55	159.2	0	0	0	113.6	V1666 K1670 W1678 L1697 V1699	V1666-H1674 HydrophobicContact CG1-CB 4.38Å; V1666-H1674 WeakPolarHBondContact CG1-ND1 3.44Å; K1670-H1674 PolarHBondContact O-N 2.7Å; K1670-H1674 VanDerWaalsContact O-N 3.12Å; H1674-W1678 HydrophobicContact CB-CZ2 4.27Å; H1674-W1678 PolarHBondContact O-NE1 2.79Å; H1674-L1697 HydrophobicContact CB-CD2 4.11Å; H1674-L1697 WeakPolarHBondContact O-CD2 2.91Å; H1674-V1699 HydrophobicContact CB-CG2 4.49Å
1675	T	81.4	Confident	80.7	Confident	43 Å²	43	52 Å²	52	26%	0.264	28%	0.276	S	S	.	.			trans	-65.4	130.7	175	-53.2	0	0	0	0	110.8	T1671 L1697	T1671-T1675 WeakPolarHBondContact O-CB 3.26Å; T1671-T1675 PolarHBondContact O-OG1 3.19Å; T1675-L1697 CarbonylContact C-O 3.47Å; T1675-L1697 VanDerWaalsContact CA-O 3.31Å; T1675-L1697 WeakPolarHBondContact CA-O 3.07Å
1676	G	78.8	Confident	79.9	Confident	17 Å²	17	54.9 Å²	54.9	18%	0.175	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	125.2	-157.4	177.7	0	0	0	0	0	114	I1696 L1697	G1676-I1696 WeakPolarHBondContact O-CA 3.14Å; G1676-L1697 PolarHBondContact N-O 3.04Å; G1676-L1697 PolarHBondContact O-N 3.39Å
1677	G	79.1	Confident	79	Confident	20 Å²	20	57.3 Å²	57.3	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	138.1	-175.3	0	0	0	0	0	113.6	H1639 P1640 I1695	H1639-G1677 PolarHBondContact CD2-O 3.07Å; P1640-G1677 WeakPolarHBondContact CD-O 3.47Å; P1640-G1677 VanDerWaalsContact CG-O 3.3Å; P1640-G1677 WeakPolarHBondContact CG-O 2.89Å; G1677-I1695 CarbonylContact C-O 3.52Å; G1677-I1695 WeakPolarHBondContact CA-O 3.43Å
1678	W	87.6	Confident	78.1	Confident	8 Å²	8	57.9 Å²	57.9	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.9	171.1	-69.6	81	0	0	0	109.7	L1623 W1637 H1639 Y1646 L1664 V1666 H1674 T1694 I1695	L1623-W1678 HydrophobicContact CD1-CB 4.14Å; L1623-W1678 HydrophobicContact CD1-CD2 3.48Å; L1623-W1678 VanDerWaalsContact CD1-CD2 3.48Å; L1623-W1678 HydrophobicContact CD1-CE3 3.7Å; L1623-W1678 HydrophobicContact CD1-CG 3.71Å; L1623-W1678 HydrophobicContact CD1-CZ3 4.31Å; W1637-W1678 HydrophobicContact CE3-CB 4.41Å; W1637-W1678 HydrophobicContact CZ3-CB 4.07Å; H1639-W1678 HydrophobicContact CB-CD2 4.5Å; H1639-W1678 HydrophobicContact CB-CE3 4.14Å; H1639-W1678 HydrophobicContact CB-CH2 4.46Å; H1639-W1678 HydrophobicContact CB-CZ3 4.11Å; H1639-W1678 AromaticContact CD2-CD1 3.99Å; H1639-W1678 AromaticContact CD2-CD2 3.65Å; H1639-W1678 AromaticContact CD2-CE2 3.43Å; H1639-W1678 VanDerWaalsContact CD2-CE2 3.43Å; H1639-W1678 AromaticContact CD2-CZ2 3.78Å; H1639-W1678 AromaticContact CD2-NE1 3.62Å; H1639-W1678 AromaticContact NE2-NE1 3.92Å; Y1646-W1678 HydrophobicContact CE2-CZ3 4.13Å; L1664-W1678 HydrophobicContact CD2-CE3 3.81Å; L1664-W1678 HydrophobicContact CD2-CZ3 3.57Å; V1666-W1678 HydrophobicContact CG2-CH2 4.22Å; V1666-W1678 HydrophobicContact CG2-CZ2 4.32Å; H1674-W1678 HydrophobicContact CB-CZ2 4.27Å; H1674-W1678 PolarHBondContact O-NE1 2.79Å; W1678-T1694 CarbonylContact O-C 3.58Å; W1678-T1694 WeakPolarHBondContact O-CA 3.12Å; W1678-I1695 PolarHBondContact N-O 3.37Å; W1678-I1695 PolarHBondContact O-N 3.39Å
1679	V	84.2	Confident	77.1	Confident	15 Å²	15	56.3 Å²	56.3	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.4	-172.9	167.5	0	0	0	0	110.9	W1637 I1638 P1640 K1692 A1693 T1694	W1637-V1679 CarbonylContact C-O 3.48Å; W1637-V1679 VanDerWaalsContact CA-O 3.28Å; W1637-V1679 WeakPolarHBondContact CA-O 3.45Å; W1637-V1679 VanDerWaalsContact CE3-O 3.28Å; I1638-V1679 HydrophobicContact CB-CB 4.25Å; I1638-V1679 HydrophobicContact CD1-CG1 4.48Å; I1638-V1679 PolarHBondContact N-O 2.74Å; I1638-V1679 PolarHBondContact O-N 2.93Å; P1640-V1679 HydrophobicContact CG-CG2 4.2Å; V1679-K1692 HydrophobicContact CG1-CD 4.37Å; V1679-K1692 HydrophobicContact CG1-CG 3.86Å; V1679-A1693 WeakPolarHBondContact CA-O 3.13Å; V1679-A1693 WeakPolarHBondContact CG1-O 2.83Å; V1679-T1694 HydrophobicContact CG2-CG2 4.08Å
1680	C	84.9	Confident	76.5	Confident	4 Å²	4	64.2 Å²	64.2	3%	0.027	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.6	167.2	-167.5	0	0	0	0	109.2	V1598 C1625 W1637 K1692 A1693	V1598-C1680 HydrophobicContact CG1-CB 4.2Å; C1625-C1680 HydrophobicContact CB-CB 3.76Å; C1625-C1680 WeakPolarHBondContact CB-SG 3.35Å; C1625-C1680 WeakPolarHBondContact SG-CB 3.19Å; C1625-C1680 CovalentContact SG-SG 2.04Å; C1625-C1680 PolarHBondContact SG-SG 3.11Å; W1637-C1680 HydrophobicContact CD2-CB 4.12Å; W1637-C1680 HydrophobicContact CE3-CB 4.24Å; W1637-C1680 HydrophobicContact CH2-CB 4.26Å; W1637-C1680 HydrophobicContact CZ2-CB 4.15Å; W1637-C1680 HydrophobicContact CZ3-CB 4.29Å; C1680-K1692 CarbonylContact O-C 3.45Å; C1680-K1692 WeakPolarHBondContact O-CA 3.2Å; C1680-A1693 HydrophobicContact CB-CB 4.21Å; C1680-A1693 PolarHBondContact N-O 2.78Å; C1680-A1693 VanDerWaalsContact N-O 3.1Å; C1680-A1693 PolarHBondContact O-N 3.4Å
1681	E	84.1	Confident	75.7	Confident	34 Å²	34	60.8 Å²	60.8	16%	0.159	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.4	-176	174.7	171.2	-92.1	0	0	109.4	V1635 Q1636 I1638 R1645 K1692	V1635-E1681 WeakPolarHBondContact CA-O 3.3Å; Q1636-E1681 HydrophobicContact CG-CB 4.01Å; Q1636-E1681 HydrophobicContact CG-CG 4.31Å; Q1636-E1681 PolarHBondContact N-O 2.75Å; Q1636-E1681 PolarHBondContact NE2-OE2 3.47Å; Q1636-E1681 PolarHBondContact O-N 3.33Å; I1638-E1681 HydrophobicContact CD1-CB 4.28Å; R1645-E1681 IonicContact CZ-OE2 3.87Å; R1645-E1681 IonicContact NH1-OE2 2.85Å; R1645-E1681 PolarHBondContact NH1-OE2 3.3Å; R1645-E1681 IonicContact NH2-OE2 3.98Å; E1681-K1692 HydrophobicContact CB-CG 4.37Å; E1681-K1692 HydrophobicContact CG-CD 4.47Å; E1681-K1692 WeakPolarHBondContact OE1-CE 3.2Å; E1681-K1692 IonicContact OE1-NZ 3.7Å; E1681-K1692 PolarHBondContact OE1-NZ 3.04Å
1682	A	82.2	Confident	75.3	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.033	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.5	-177.1	0	0	0	0	0	111.8	I1627 H1634 V1635 Y1690 A1691	I1627-A1682 HydrophobicContact CG1-CB 3.79Å; I1627-A1682 HydrophobicContact CG2-CB 4.42Å; H1634-A1682 CarbonylContact O-C 3.46Å; H1634-A1682 VanDerWaalsContact O-CA 3.28Å; H1634-A1682 WeakPolarHBondContact O-CA 3.12Å; V1635-A1682 HydrophobicContact CG2-CB 4.13Å; A1682-Y1690 CarbonylContact O-C 2.9Å; A1682-Y1690 VanDerWaalsContact O-CA 3.31Å; A1682-Y1690 WeakPolarHBondContact O-CA 3.48Å; A1682-A1691 PolarHBondContact N-O 3.41Å; A1682-A1691 PolarHBondContact O-N 3.07Å
1683	S	79.5	Confident	75	Confident	37 Å²	37	53.9 Å²	53.9	26%	0.259	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137	-179.2	57.2	0	0	0	0	112.2	F1602 H1634 E1689	F1602-S1683 VanDerWaalsContact CZ-C 3.48Å; H1634-S1683 PolarHBondContact N-O 3.13Å; H1634-S1683 PolarHBondContact O-N 2.71Å; S1683-E1689 WeakPolarHBondContact CA-O 3.08Å
1684	D	71.5	Confident	74.7	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.043	27%	0.274	C	S	.	.			trans	-85.5	136.9	170.3	-152.3	-73.2	0	0	0	110.2	F1602 S1629 N1631 E1686 T1687 E1689	F1602-D1684 HydrophobicContact CD2-CB 3.95Å; F1602-D1684 HydrophobicContact CE1-CB 4.37Å; F1602-D1684 HydrophobicContact CE2-CB 3.61Å; F1602-D1684 WeakPolarHBondContact CE2-OD2 3.34Å; F1602-D1684 HydrophobicContact CG-CB 4.47Å; F1602-D1684 HydrophobicContact CZ-CB 3.87Å; F1602-D1684 VanDerWaalsContact CZ-N 3.28Å; S1629-D1684 PolarHBondContact OG-OD2 3.26Å; N1631-D1684 WeakPolarHBondContact CB-OD2 3.25Å; D1684-E1686 PolarHBondContact OD1-N 2.92Å; D1684-T1687 VanDerWaalsContact CB-OG1 3.26Å; D1684-T1687 WeakPolarHBondContact CB-OG1 3.29Å; D1684-T1687 PolarHBondContact OD1-N 2.59Å; D1684-E1689 PolarHBondContact N-O 2.91Å
1685	L	68.9	Low	74.3	Confident	137 Å²	137	49.6 Å²	49.6	72%	0.717	27%	0.266	S	S	*	.	S	Bend	trans	-88.4	-13.5	-177.1	-68.6	171.9	0	0	0	113
1686	E	66.6	Low	74.2	Confident	150 Å²	150	50.5 Å²	50.5	70%	0.701	27%	0.268	S	S	*	.	S	Bend	trans	-108	-38.6	-178	-61.8	-176.1	-170.7	0	0	112.2	N1631 D1684	N1631-E1686 WeakPolarHBondContact ND2-CB 3.11Å; N1631-E1686 VanDerWaalsContact ND2-CD 3.33Å; N1631-E1686 PolarHBondContact ND2-OE2 2.84Å; D1684-E1686 PolarHBondContact OD1-N 2.92Å
1687	T	64.9	Low	74.4	Confident	60 Å²	60	49.7 Å²	49.7	37%	0.368	26%	0.26	S	S	.	.	S	Bend	trans	-91.1	-9.8	-179.1	67.6	0	0	0	0	114.1	D1684 E1689	D1684-T1687 VanDerWaalsContact CB-OG1 3.26Å; D1684-T1687 WeakPolarHBondContact CB-OG1 3.29Å; D1684-T1687 PolarHBondContact OD1-N 2.59Å; T1687-E1689 WeakPolarHBondContact CB-OE2 3.35Å; T1687-E1689 PolarHBondContact O-N 3Å; T1687-E1689 WeakPolarHBondContact OG1-CB 3.12Å; T1687-E1689 WeakPolarHBondContact OG1-CG 3.13Å; T1687-E1689 PolarHBondContact OG1-N 3.27Å; T1687-E1689 PolarHBondContact OG1-OE2 2.76Å
1688	T	63.7	Low	74.3	Confident	127 Å²	127	51.7 Å²	51.7	78%	0.779	27%	0.266	S	S	*	.			trans	61.9	9	-171.3	68.9	0	0	0	0	115.6
1689	E	62	Low	73.9	Confident	52 Å²	52	51.8 Å²	51.8	24%	0.243	27%	0.267	C	S	.	.			trans	-73.3	150.9	177	-62.9	167.9	118	0	0	111.7	F1602 N1603 S1683 D1684 T1687	F1602-E1689 HydrophobicContact CB-CB 3.58Å; F1602-E1689 HydrophobicContact CB-CG 4.18Å; F1602-E1689 WeakPolarHBondContact CB-OE2 3.09Å; F1602-E1689 HydrophobicContact CD1-CB 3.71Å; F1602-E1689 HydrophobicContact CG-CB 3.78Å; N1603-E1689 PolarHBondContact ND2-OE1 2.03Å; S1683-E1689 WeakPolarHBondContact CA-O 3.08Å; D1684-E1689 PolarHBondContact N-O 2.91Å; T1687-E1689 WeakPolarHBondContact CB-OE2 3.35Å; T1687-E1689 PolarHBondContact O-N 3Å; T1687-E1689 WeakPolarHBondContact OG1-CB 3.12Å; T1687-E1689 WeakPolarHBondContact OG1-CG 3.13Å; T1687-E1689 PolarHBondContact OG1-N 3.27Å; T1687-E1689 PolarHBondContact OG1-OE2 2.76Å
1690	Y	68.9	Low	73.2	Confident	166 Å²	166	53.8 Å²	53.8	65%	0.651	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.2	178.9	83.9	-85.3	0	0	0	112	A1682	A1682-Y1690 CarbonylContact O-C 2.9Å; A1682-Y1690 VanDerWaalsContact O-CA 3.31Å; A1682-Y1690 WeakPolarHBondContact O-CA 3.48Å
1691	A	64.1	Low	71.9	Confident	5 Å²	5	57 Å²	57	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	157.6	-178.5	0	0	0	0	0	113	H1600 F1602 A1682	H1600-A1691 HydrophobicContact CB-CB 3.39Å; F1602-A1691 HydrophobicContact CD1-CB 4.38Å; F1602-A1691 HydrophobicContact CE1-CB 4.39Å; A1682-A1691 PolarHBondContact N-O 3.41Å; A1682-A1691 PolarHBondContact O-N 3.07Å
1692	K	72.4	Confident	70.3	Confident	94 Å²	94	60.5 Å²	60.5	41%	0.409	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	135.2	-168.4	-155.9	160.6	-179.2	165.6	0	114.5	H1600 V1679 C1680 E1681	H1600-K1692 PolarHBondContact CE1-O 2.92Å; H1600-K1692 VanDerWaalsContact NE2-C 3.34Å; H1600-K1692 PolarHBondContact NE2-O 3.12Å; V1679-K1692 HydrophobicContact CG1-CD 4.37Å; V1679-K1692 HydrophobicContact CG1-CG 3.86Å; C1680-K1692 CarbonylContact O-C 3.45Å; C1680-K1692 WeakPolarHBondContact O-CA 3.2Å; E1681-K1692 HydrophobicContact CB-CG 4.37Å; E1681-K1692 HydrophobicContact CG-CD 4.47Å; E1681-K1692 WeakPolarHBondContact OE1-CE 3.2Å; E1681-K1692 IonicContact OE1-NZ 3.7Å; E1681-K1692 PolarHBondContact OE1-NZ 3.04Å
1693	A	67.5	Low	68.7	Low	3 Å²	3	66.9 Å²	66.9	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	157.9	-173.1	0	0	0	0	0	113.4	A1597 V1598 H1600 V1679 C1680	A1597-A1693 WeakPolarHBondContact O-CB 3.35Å; V1598-A1693 HydrophobicContact CB-CB 4.29Å; V1598-A1693 HydrophobicContact CG1-CB 3.29Å; H1600-A1693 WeakPolarHBondContact NE2-CA 3.11Å; H1600-A1693 WeakPolarHBondContact NE2-CB 3.45Å; H1600-A1693 PolarHBondContact NE2-N 3.48Å; V1679-A1693 WeakPolarHBondContact CA-O 3.13Å; V1679-A1693 WeakPolarHBondContact CG1-O 2.83Å; C1680-A1693 HydrophobicContact CB-CB 4.21Å; C1680-A1693 PolarHBondContact N-O 2.78Å; C1680-A1693 VanDerWaalsContact N-O 3.1Å; C1680-A1693 PolarHBondContact O-N 3.4Å
1694	T	72.8	Confident	66.8	Low	58 Å²	58	71.1 Å²	71.1	36%	0.356	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.1	177.2	-48.4	0	0	0	0	113.7	A1597 T1610 W1678 V1679	A1597-T1694 VanDerWaalsContact CB-O 3.26Å; A1597-T1694 WeakPolarHBondContact CB-O 3.19Å; T1610-T1694 HydrophobicContact CG2-CG2 3.94Å; W1678-T1694 CarbonylContact O-C 3.58Å; W1678-T1694 WeakPolarHBondContact O-CA 3.12Å; V1679-T1694 HydrophobicContact CG2-CG2 4.08Å
1695	I	75.6	Confident	65.1	Low	0 Å²	0	78.4 Å²	78.4	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.3	178.2	-54.8	-178	0	0	0	109	A1597 V1598 L1611 L1613 L1623 P1624 W1637 G1677 W1678	A1597-I1695 HydrophobicContact CB-CG1 4.47Å; V1598-I1695 HydrophobicContact CG2-CD1 4.34Å; L1611-I1695 HydrophobicContact CB-CG2 4.41Å; L1611-I1695 WeakPolarHBondContact O-CG2 3.23Å; L1613-I1695 HydrophobicContact CD1-CG2 4Å; L1613-I1695 HydrophobicContact CG-CG2 4.44Å; L1623-I1695 HydrophobicContact CD2-CG2 4.23Å; P1624-I1695 HydrophobicContact CG-CD1 3.49Å; P1624-I1695 VanDerWaalsContact CG-CD1 3.49Å; W1637-I1695 HydrophobicContact CH2-CD1 3.76Å; W1637-I1695 HydrophobicContact CZ3-CD1 4.21Å; G1677-I1695 CarbonylContact C-O 3.52Å; G1677-I1695 WeakPolarHBondContact CA-O 3.43Å; W1678-I1695 PolarHBondContact N-O 3.37Å; W1678-I1695 PolarHBondContact O-N 3.39Å
1696	I	78.2	Confident	63.5	Low	61 Å²	61	79.3 Å²	79.3	31%	0.313	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.3	171.5	-56.9	174.7	0	0	0	108.1	T1610 L1611 T1612 L1613 G1676	T1610-I1696 HydrophobicContact CG2-CD1 4.01Å; T1610-I1696 HydrophobicContact CG2-CG1 3.98Å; L1611-I1696 PolarHBondContact O-N 3.18Å; T1612-I1696 CarbonylContact C-O 3.53Å; T1612-I1696 WeakPolarHBondContact CA-O 3.04Å; T1612-I1696 HydrophobicContact CG2-CB 4.43Å; T1612-I1696 HydrophobicContact CG2-CG2 4.3Å; L1613-I1696 PolarHBondContact N-O 3.45Å; G1676-I1696 WeakPolarHBondContact O-CA 3.14Å
1697	L	83.1	Confident	62	Low	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.4	174.8	-179.3	55.1	0	0	0	109.9	L1613 V1615 I1621 H1674 T1675 G1676 V1699	L1613-L1697 HydrophobicContact CB-CD1 4.2Å; V1615-L1697 HydrophobicContact CG1-CD1 3.89Å; I1621-L1697 HydrophobicContact CD1-CD1 3.83Å; I1621-L1697 HydrophobicContact CG2-CD1 4.26Å; I1621-L1697 HydrophobicContact CG2-CD2 4.08Å; H1674-L1697 HydrophobicContact CB-CD2 4.11Å; H1674-L1697 WeakPolarHBondContact O-CD2 2.91Å; T1675-L1697 CarbonylContact C-O 3.47Å; T1675-L1697 VanDerWaalsContact CA-O 3.31Å; T1675-L1697 WeakPolarHBondContact CA-O 3.07Å; G1676-L1697 PolarHBondContact N-O 3.04Å; G1676-L1697 PolarHBondContact O-N 3.39Å; L1697-V1699 HydrophobicContact CG-CG2 4.26Å
1698	N	78	Confident	60.6	Low	62 Å²	62	80.3 Å²	80.3	33%	0.332	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.5	172.8	-125.9	19.1	0	0	0	108.4	L1613 E1614 V1615	L1613-N1698 PolarHBondContact O-N 2.92Å; E1614-N1698 WeakPolarHBondContact CA-O 3.37Å; E1614-N1698 HydrophobicContact CB-CB 4.47Å; E1614-N1698 HydrophobicContact CG-CB 3.92Å; E1614-N1698 PolarHBondContact OE1-ND2 3.3Å; V1615-N1698 PolarHBondContact N-O 3.36Å
1699	V	78.1	Confident	58.9	Low	11 Å²	11	83.5 Å²	83.5	7%	0.067	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.6	176	-176.2	0	0	0	0	108.7	V1615 E1617 H1674 L1697	V1615-V1699 HydrophobicContact CG1-CG2 3.98Å; V1615-V1699 CarbonylContact O-C 3.54Å; V1615-V1699 WeakPolarHBondContact O-CA 3.02Å; E1617-V1699 HydrophobicContact CB-CG1 4.06Å; E1617-V1699 HydrophobicContact CG-CG1 4.5Å; H1674-V1699 HydrophobicContact CB-CG2 4.49Å; L1697-V1699 HydrophobicContact CG-CG2 4.26Å
1700	V	69.3	Low	57.3	Low	57 Å²	57	87.6 Å²	87.6	35%	0.345	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.5	-167.7	-166.2	0	0	0	0	110.6	V1615 L1616 E1617	V1615-V1700 PolarHBondContact O-N 3.04Å; L1616-V1700 CarbonylContact C-O 3.56Å; L1616-V1700 VanDerWaalsContact CA-O 3.31Å; L1616-V1700 WeakPolarHBondContact CA-O 3.13Å; E1617-V1700 PolarHBondContact N-O 2.69Å
1701	S	58.7	Low	55.4	Low	70 Å²	70	85 Å²	85	49%	0.49	45%	0.449	S	S	.	.			trans	-113.4	126.6	-178.9	-140.1	0	0	0	0	110	E1617	E1617-S1701 WeakPolarHBondContact OE2-CB 2.92Å; E1617-S1701 PolarHBondContact OE2-OG 2.83Å
1702	L	50.9	Low	53.6	Low	108 Å²	108	89 Å²	89	57%	0.565	48%	0.477	S	S	*	.			trans	-71.3	134	-177.1	-85.7	159.6	0	0	0	111.5	L1616	L1616-L1702 HydrophobicContact CD1-CD1 4.34Å; L1616-L1702 HydrophobicContact CD2-CD1 4.01Å; L1616-L1702 HydrophobicContact CD2-CG 4.02Å
1703	Q	47.1	Very low	51.5	Low	139 Å²	139	92.9 Å²	92.9	65%	0.65	50%	0.496	S	S	*	.			trans	-127	134.9	172.5	-71.1	-170.9	-42.8	0	0	109.9	N1705 K1706	Q1703-N1705 PolarHBondContact O-N 3.05Å; Q1703-K1706 PolarHBondContact O-N 2.89Å
1704	S	39.8	Very low	49.8	Very low	125 Å²	125	99 Å²	99	87%	0.874	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	14.6	-163.7	54.5	0	0	0	0	117.3
1705	N	37.3	Very low	47.8	Very low	162 Å²	162	102 Å²	102	87%	0.866	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.9	16.9	179.4	-89.9	-36	0	0	0	112.8	Q1703	Q1703-N1705 PolarHBondContact O-N 3.05Å
1706	K	34.6	Very low	45.9	Very low	156 Å²	156	106 Å²	106	68%	0.678	57%	0.571	S	S	*	*			trans	-110.6	103.4	-169.5	-155.3	172.9	-172	179	0	112.5	Q1703 L1708	Q1703-K1706 PolarHBondContact O-N 2.89Å; K1706-L1708 PolarHBondContact O-N 2.65Å
1707	I	34.1	Very low	43.8	Very low	118 Å²	118	105 Å²	105	61%	0.605	57%	0.569	S	S	*	*			trans	-52.9	128.3	168.5	-60.1	168.9	0	0	0	109	Y1709	I1707-Y1709 VanDerWaalsContact C-N 3.35Å; I1707-Y1709 HydrophobicContact CB-CD2 4.07Å; I1707-Y1709 HydrophobicContact CB-CE2 3.74Å; I1707-Y1709 HydrophobicContact CD1-CE2 4.44Å; I1707-Y1709 HydrophobicContact CG2-CD2 3.99Å; I1707-Y1709 HydrophobicContact CG2-CE2 3.85Å; I1707-Y1709 HydrophobicContact CG2-CG 4.4Å; I1707-Y1709 WeakPolarHBondContact O-CD2 3.41Å; I1707-Y1709 PolarHBondContact O-N 2.67Å
1708	L	37.2	Very low	41.4	Very low	112 Å²	112	109.8 Å²	109.8	59%	0.586	60%	0.603	S	S	*	*			trans	-79.3	82.7	176	-86.8	133.7	0	0	0	110.2	K1706 M1710 Y1739	K1706-L1708 PolarHBondContact O-N 2.65Å; L1708-M1710 PolarHBondContact O-N 2.96Å; L1708-Y1739 HydrophobicContact CD1-CE2 4.43Å
1709	Y	28.1	Very low	39.2	Very low	195 Å²	195	112.2 Å²	112.2	77%	0.765	61%	0.612	S	S	*	*			trans	-69.8	113.1	173	-72.3	-86.5	0	0	0	111.4	I1707	I1707-Y1709 VanDerWaalsContact C-N 3.35Å; I1707-Y1709 HydrophobicContact CB-CD2 4.07Å; I1707-Y1709 HydrophobicContact CB-CE2 3.74Å; I1707-Y1709 HydrophobicContact CD1-CE2 4.44Å; I1707-Y1709 HydrophobicContact CG2-CD2 3.99Å; I1707-Y1709 HydrophobicContact CG2-CE2 3.85Å; I1707-Y1709 HydrophobicContact CG2-CG 4.4Å; I1707-Y1709 WeakPolarHBondContact O-CD2 3.41Å; I1707-Y1709 PolarHBondContact O-N 2.67Å
1710	M	27.9	Very low	37.8	Very low	138 Å²	138	112.9 Å²	112.9	68%	0.68	62%	0.615	S	S	*	*			trans	-98.8	138.2	143.7	-64.1	-154	-56.6	0	0	108.7	E1515 L1708	E1515-M1710 VanDerWaalsContact OE1-CE 3.27Å; E1515-M1710 WeakPolarHBondContact OE1-CE 3.07Å; L1708-M1710 PolarHBondContact O-N 2.96Å
1711	S	28.4	Very low	37.2	Very low	112 Å²	112	111.4 Å²	111.4	78%	0.783	61%	0.606	S	S	*	*	S	Bend	trans	-77.1	135.1	176.3	55.7	0	0	0	0	110.1
1712	S	26.9	Very low	37.4	Very low	89 Å²	89	108.4 Å²	108.4	62%	0.622	59%	0.585	S	S	*	*				-139.4	156	52.3	54.8	0	0	0	0	115.4
1713	Q	28	Very low	38.2	Very low	175 Å²	175	104.8 Å²	104.8	82%	0.818	57%	0.565	S	S	*	*			trans	-39.1	127.9	177.5	-62.5	161.6	-27.4	0	0	114.4
1714	N	31.2	Very low	39.2	Very low	131 Å²	131	98.6 Å²	98.6	70%	0.701	54%	0.537	S	S	*	.				-165	145.7	112.8	-95.9	-21	0	0	0	111.8
1715	T	30.9	Very low	40.7	Very low	122 Å²	122	93.5 Å²	93.5	75%	0.748	50%	0.501	S	S	*	.			trans	-67	141.3	161.2	46.7	0	0	0	0	109.2	S1717	T1715-S1717 PolarHBondContact O-N 2.93Å
1716	V	35.6	Very low	42.6	Very low	83 Å²	83	91 Å²	91	50%	0.503	48%	0.483	S	S	.	.			trans	-50	109.7	175.3	-178	0	0	0	0	109.5	D1720	V1716-D1720 HydrophobicContact CG1-CB 4.12Å
1717	S	33.9	Very low	44.2	Very low	40 Å²	40	87.2 Å²	87.2	28%	0.28	47%	0.469	S	S	.	.			trans	-93.6	169.2	-177.5	78	0	0	0	0	110.4	T1715 H1719 D1720	T1715-S1717 PolarHBondContact O-N 2.93Å; S1717-H1719 PolarHBondContact O-N 3.3Å; S1717-H1719 VanDerWaalsContact O-N 3.1Å; S1717-H1719 WeakPolarHBondContact OG-CB 3.12Å; S1717-H1719 PolarHBondContact OG-N 3.09Å; S1717-D1720 WeakPolarHBondContact CA-OD2 3.05Å; S1717-D1720 VanDerWaalsContact CB-OD2 3.3Å; S1717-D1720 WeakPolarHBondContact CB-OD2 3.05Å; S1717-D1720 PolarHBondContact N-OD2 2.73Å; S1717-D1720 PolarHBondContact O-N 2.75Å; S1717-D1720 PolarHBondContact OG-OD2 2.8Å
1718	S	33.6	Very low	45.1	Very low	100 Å²	100	81.8 Å²	81.8	70%	0.699	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-56.3	-24.6	171.2	46.6	0	0	0	0	113.2	D1720 T1721	S1718-D1720 VanDerWaalsContact C-N 3.32Å; S1718-D1720 PolarHBondContact O-N 2.6Å; S1718-T1721 PolarHBondContact O-OG1 3.17Å
1719	H	32.3	Very low	46.3	Very low	114 Å²	114	78 Å²	78	53%	0.528	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-78.4	-11.6	179.8	-51.8	88.9	0	0	0	113.6	G1509 Q1510 S1717 T1721	G1509-H1719 CarbonylContact C-O 2.97Å; G1509-H1719 WeakPolarHBondContact CA-O 3.17Å; Q1510-H1719 PolarHBondContact N-O 2.82Å; S1717-H1719 PolarHBondContact O-N 3.3Å; S1717-H1719 VanDerWaalsContact O-N 3.1Å; S1717-H1719 WeakPolarHBondContact OG-CB 3.12Å; S1717-H1719 PolarHBondContact OG-N 3.09Å; H1719-T1721 VanDerWaalsContact C-N 3.3Å; H1719-T1721 PolarHBondContact O-N 2.84Å
1720	D	47.3	Very low	47.9	Very low	24 Å²	24	69 Å²	69	13%	0.128	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-92.4	16.1	-175.7	-59.8	-67.2	0	0	0	113.4	L1511 V1716 S1717 S1718	L1511-D1720 WeakPolarHBondContact CA-OD1 3.41Å; L1511-D1720 HydrophobicContact CD2-CB 3.92Å; L1511-D1720 WeakPolarHBondContact CD2-OD1 3.02Å; L1511-D1720 HydrophobicContact CG-CB 4.22Å; V1716-D1720 HydrophobicContact CG1-CB 4.12Å; S1717-D1720 WeakPolarHBondContact CA-OD2 3.05Å; S1717-D1720 VanDerWaalsContact CB-OD2 3.3Å; S1717-D1720 WeakPolarHBondContact CB-OD2 3.05Å; S1717-D1720 PolarHBondContact N-OD2 2.73Å; S1717-D1720 PolarHBondContact O-N 2.75Å; S1717-D1720 PolarHBondContact OG-OD2 2.8Å; S1718-D1720 VanDerWaalsContact C-N 3.32Å; S1718-D1720 PolarHBondContact O-N 2.6Å
1721	T	58.6	Low	50	Low	27 Å²	27	65.5 Å²	65.5	17%	0.166	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	116.2	-175.8	-54.5	0	0	0	0	112.2	S1718 H1719 M1723 N1791	S1718-T1721 PolarHBondContact O-OG1 3.17Å; H1719-T1721 VanDerWaalsContact C-N 3.3Å; H1719-T1721 PolarHBondContact O-N 2.84Å; T1721-M1723 HydrophobicContact CG2-CG 4.27Å; T1721-M1723 PolarHBondContact O-N 2.64Å; T1721-N1791 WeakPolarHBondContact CG2-ND2 3.33Å; T1721-N1791 PolarHBondContact OG1-ND2 2.82Å
1722	I	62.8	Low	52	Low	6 Å²	6	60.2 Å²	60.2	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	86.3	170.2	-58.2	151.7	0	0	0	107.3	L1511 V1522 V1724 F1790 N1791 I1792 S1793	L1511-I1722 HydrophobicContact CD1-CG1 4.25Å; V1522-I1722 HydrophobicContact CG2-CG2 3.72Å; I1722-V1724 HydrophobicContact CG2-CG2 4.15Å; I1722-F1790 HydrophobicContact CD1-CB 4.06Å; I1722-F1790 HydrophobicContact CD1-CD1 4.45Å; I1722-N1791 WeakPolarHBondContact CB-O 2.92Å; I1722-N1791 PolarHBondContact N-O 3.4Å; I1722-I1792 CarbonylContact O-C 3.57Å; I1722-I1792 WeakPolarHBondContact O-CA 3.07Å; I1722-S1793 PolarHBondContact O-N 3.03Å
1723	M	66.8	Low	53.9	Low	33 Å²	33	56.4 Å²	56.4	16%	0.163	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	163.9	162.7	-7.8	156.4	-168.7	0	0	109.5	L1507 Y1508 T1721 S1793 P1826	L1507-M1723 VanDerWaalsContact O-CE 3.31Å; L1507-M1723 WeakPolarHBondContact O-CE 3.27Å; Y1508-M1723 HydrophobicContact CD1-CB 4Å; Y1508-M1723 HydrophobicContact CD1-CE 4.43Å; Y1508-M1723 HydrophobicContact CD1-CG 3.67Å; Y1508-M1723 HydrophobicContact CD1-SD 4.27Å; Y1508-M1723 HydrophobicContact CE1-CB 3.27Å; Y1508-M1723 HydrophobicContact CE1-CG 3.36Å; Y1508-M1723 WeakPolarHBondContact CE1-O 2.87Å; Y1508-M1723 HydrophobicContact CE1-SD 3.82Å; Y1508-M1723 PolarHBondContact OH-O 3.09Å; T1721-M1723 HydrophobicContact CG2-CG 4.27Å; T1721-M1723 PolarHBondContact O-N 2.64Å; M1723-S1793 CarbonylContact C-O 3.58Å; M1723-S1793 WeakPolarHBondContact CA-O 3.5Å; M1723-P1826 HydrophobicContact SD-CG 4.48Å
1724	V	67.6	Low	55.8	Low	9 Å²	9	48.3 Å²	48.3	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.8	179.7	177.8	0	0	0	0	106.5	Y1508 I1722 V1730 A1765 S1793 V1794 G1795	Y1508-V1724 PolarHBondContact OH-N 3.05Å; I1722-V1724 HydrophobicContact CG2-CG2 4.15Å; V1724-V1730 HydrophobicContact CG1-CG2 4.31Å; V1724-V1730 HydrophobicContact CG2-CG2 4.16Å; V1724-A1765 HydrophobicContact CB-CB 4.25Å; V1724-A1765 HydrophobicContact CG1-CB 3.69Å; V1724-S1793 PolarHBondContact N-O 3.47Å; V1724-V1794 CarbonylContact O-C 3.5Å; V1724-V1794 WeakPolarHBondContact O-CA 2.93Å; V1724-V1794 WeakPolarHBondContact O-CG1 2.68Å; V1724-G1795 PolarHBondContact O-N 3.13Å
1725	P	72.4	Confident	57	Low	18 Å²	18	43 Å²	43	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	153.9	175.6	16.8	-14.9	0	0	0	110.6	L1501 D1727 G1728 G1795 W1867	L1501-P1725 HydrophobicContact CD1-CG 3.56Å; L1501-P1725 HydrophobicContact CD2-CG 3.66Å; L1501-P1725 HydrophobicContact CG-CG 4.24Å; P1725-D1727 PolarHBondContact O-N 2.77Å; P1725-G1728 PolarHBondContact O-N 2.8Å; P1725-G1795 CarbonylContact C-O 3.58Å; P1725-W1867 HydrophobicContact CB-CD2 4.49Å; P1725-W1867 HydrophobicContact CB-CE3 3.91Å; P1725-W1867 HydrophobicContact CB-CH2 3.56Å; P1725-W1867 HydrophobicContact CB-CZ2 4.18Å; P1725-W1867 HydrophobicContact CB-CZ3 3.44Å; P1725-W1867 VanDerWaalsContact CB-CZ3 3.44Å; P1725-W1867 VanDerWaalsContact CD-CH2 3.41Å; P1725-W1867 HydrophobicContact CG-CE3 4.5Å; P1725-W1867 HydrophobicContact CG-CH2 3.7Å; P1725-W1867 HydrophobicContact CG-CZ3 3.61Å; P1725-W1867 VanDerWaalsContact N-CH2 3.27Å
1726	K	76.5	Confident	58.4	Low	110 Å²	110	39.5 Å²	39.5	48%	0.478	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	131.5	161.2	-176.8	-173.7	171.8	-77.9	0	109.2	G1728 P1767 V1794 G1795	K1726-G1728 PolarHBondContact O-N 2.87Å; K1726-P1767 HydrophobicContact CB-CG 4.47Å; K1726-V1794 HydrophobicContact CB-CG1 4.49Å; K1726-G1795 PolarHBondContact N-O 2.72Å
1727	D	68.9	Low	59	Low	75 Å²	75	44.7 Å²	44.7	40%	0.401	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	10.5	-177.5	-44.6	-45.7	0	0	0	115.3	P1725 A1765	P1725-D1727 PolarHBondContact O-N 2.77Å; D1727-A1765 PolarHBondContact N-O 2.82Å
1728	G	52.8	Low	59.5	Low	4 Å²	4	49.7 Å²	49.7	4%	0.041	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-86.1	166.3	174.3	0	0	0	0	0	115.1	P1725 K1726 A1765	P1725-G1728 PolarHBondContact O-N 2.8Å; K1726-G1728 PolarHBondContact O-N 2.87Å; G1728-A1765 WeakPolarHBondContact O-CB 2.93Å; G1728-A1765 PolarHBondContact O-N 2.86Å
1729	L	60.9	Low	60.3	Low	33 Å²	33	47.8 Å²	47.8	17%	0.173	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-84.4	135.6	-179	-178.1	77.1	0	0	0	112.7	P1498 I1499 V1761 I1762 E1763	P1498-L1729 HydrophobicContact CB-CD2 4.04Å; I1499-L1729 HydrophobicContact CB-CB 4.33Å; I1499-L1729 HydrophobicContact CD1-CB 4.25Å; I1499-L1729 HydrophobicContact CG1-CB 4.21Å; L1729-V1761 HydrophobicContact CD1-CG1 3.84Å; L1729-I1762 WeakPolarHBondContact CA-O 2.67Å; L1729-I1762 WeakPolarHBondContact CD1-O 3.33Å; L1729-E1763 HydrophobicContact CD1-CG 4.28Å
1730	V	63.6	Low	61	Low	5 Å²	5	50.1 Å²	50.1	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.1	160.5	-167.3	0	0	0	0	110.4	V1724 L1732 V1761 I1762 A1765 I1792	V1724-V1730 HydrophobicContact CG1-CG2 4.31Å; V1724-V1730 HydrophobicContact CG2-CG2 4.16Å; V1730-L1732 HydrophobicContact CG1-CD2 3.92Å; V1730-L1732 HydrophobicContact CG1-CG 4.12Å; V1730-V1761 WeakPolarHBondContact O-CA 3.31Å; V1730-I1762 HydrophobicContact CB-CB 3.82Å; V1730-I1762 HydrophobicContact CB-CD1 4.05Å; V1730-I1762 HydrophobicContact CB-CG1 4.02Å; V1730-I1762 HydrophobicContact CG1-CD1 4.45Å; V1730-I1762 HydrophobicContact CG2-CB 3.87Å; V1730-I1762 HydrophobicContact CG2-CD1 3.95Å; V1730-I1762 HydrophobicContact CG2-CG1 4.27Å; V1730-I1762 HydrophobicContact CG2-CG2 4.48Å; V1730-I1762 PolarHBondContact N-O 2.78Å; V1730-I1762 PolarHBondContact O-N 2.67Å; V1730-A1765 HydrophobicContact CG2-CB 4.25Å; V1730-I1792 HydrophobicContact CG1-CD1 3.69Å
1731	F	71.9	Confident	61.5	Low	66 Å²	66	50.9 Å²	50.9	29%	0.289	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	116	170.2	-173.3	-89.5	0	0	0	111.3	Y1759 L1760 V1761	F1731-Y1759 AromaticContact CE1-CD1 3.93Å; F1731-Y1759 HydrophobicContact CE1-CD1 3.93Å; F1731-Y1759 HydrophobicContact CE1-CE1 4.44Å; F1731-Y1759 HydrophobicContact CE2-CD1 4.19Å; F1731-Y1759 HydrophobicContact CE2-CG 4.35Å; F1731-Y1759 AromaticContact CZ-CD1 3.33Å; F1731-Y1759 HydrophobicContact CZ-CD1 3.33Å; F1731-Y1759 AromaticContact CZ-CE1 3.98Å; F1731-Y1759 HydrophobicContact CZ-CE1 3.98Å; F1731-Y1759 AromaticContact CZ-CG 3.91Å; F1731-Y1759 HydrophobicContact CZ-CG 3.91Å; F1731-L1760 WeakPolarHBondContact CA-O 3.45Å; F1731-V1761 HydrophobicContact CD2-CG2 4.05Å; F1731-V1761 HydrophobicContact CE2-CG2 4.16Å
1732	L	68.7	Low	61.7	Low	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.8	174.9	-42.9	-175.8	0	0	0	109.6	I1519 V1730 W1745 Y1759 L1760 W1774 F1790 I1792	I1519-L1732 HydrophobicContact CG2-CB 3.67Å; I1519-L1732 HydrophobicContact CG2-CD2 4.36Å; I1519-L1732 HydrophobicContact CG2-CG 4.47Å; V1730-L1732 HydrophobicContact CG1-CD2 3.92Å; V1730-L1732 HydrophobicContact CG1-CG 4.12Å; L1732-W1745 HydrophobicContact CB-CH2 3.4Å; L1732-W1745 HydrophobicContact CB-CZ2 4.26Å; L1732-W1745 HydrophobicContact CB-CZ3 3.78Å; L1732-W1745 HydrophobicContact CD1-CE3 4.46Å; L1732-W1745 HydrophobicContact CD1-CH2 4.14Å; L1732-W1745 HydrophobicContact CD1-CZ3 3.59Å; L1732-W1745 HydrophobicContact CG-CH2 4.41Å; L1732-W1745 HydrophobicContact CG-CZ3 4.32Å; L1732-Y1759 CarbonylContact O-C 3.47Å; L1732-Y1759 VanDerWaalsContact O-CA 3.27Å; L1732-Y1759 WeakPolarHBondContact O-CA 3.43Å; L1732-L1760 HydrophobicContact CB-CB 4.04Å; L1732-L1760 HydrophobicContact CD1-CB 4.4Å; L1732-L1760 HydrophobicContact CD1-CD2 3.57Å; L1732-L1760 HydrophobicContact CG-CB 4.27Å; L1732-L1760 HydrophobicContact CG-CD2 3.99Å; L1732-L1760 PolarHBondContact N-O 3.36Å; L1732-L1760 PolarHBondContact O-N 2.62Å; L1732-W1774 HydrophobicContact CD1-CB 4.34Å; L1732-F1790 HydrophobicContact CD1-CD2 3.73Å; L1732-F1790 HydrophobicContact CD1-CE2 4.32Å; L1732-F1790 HydrophobicContact CD1-CG 4.15Å; L1732-I1792 HydrophobicContact CD1-CD1 4.41Å
1733	S	66.8	Low	62.1	Low	10 Å²	10	56.3 Å²	56.3	7%	0.07	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	160.4	168.1	74.8	0	0	0	0	111.8	M1518 I1519 P1735 E1758 Y1759	M1518-S1733 PolarHBondContact O-OG 2.77Å; I1519-S1733 WeakPolarHBondContact CD1-O 3.47Å; I1519-S1733 VanDerWaalsContact CG1-O 3.25Å; I1519-S1733 WeakPolarHBondContact CG1-O 3.37Å; I1519-S1733 WeakPolarHBondContact CG2-O 3.42Å; S1733-P1735 WeakPolarHBondContact O-CD 3.38Å; S1733-E1758 CarbonylContact C-O 3.5Å; S1733-E1758 VanDerWaalsContact CA-O 3.26Å; S1733-E1758 WeakPolarHBondContact CA-O 3.35Å; S1733-Y1759 VanDerWaalsContact CB-CD1 3.43Å
1734	C	68.1	Low	62.5	Low	4 Å²	4	57.7 Å²	57.7	3%	0.027	29%	0.29	C	S	.	.			trans	-117.6	79.7	173	-150.5	0	0	0	0	109.7	H1736 T1743 W1745 E1758 C1776	C1734-H1736 PolarHBondContact O-N 3.18Å; C1734-T1743 HydrophobicContact CB-CG2 3.58Å; C1734-W1745 HydrophobicContact CB-CZ2 3.94Å; C1734-E1758 PolarHBondContact N-O 3.37Å; C1734-C1776 VanDerWaalsContact CA-SG 3.57Å; C1734-C1776 HydrophobicContact CB-CB 3.71Å; C1734-C1776 WeakPolarHBondContact CB-SG 3.49Å; C1734-C1776 WeakPolarHBondContact SG-CB 3.41Å; C1734-C1776 CovalentContact SG-SG 2.04Å; C1734-C1776 PolarHBondContact SG-SG 3.06Å
1735	P	56.3	Low	63.1	Low	20 Å²	20	57.5 Å²	57.5	13%	0.13	29%	0.289	C	S	.	.			trans	-74	121	-170.4	31	-37.1	0	0	0	111.2	M1518 I1519 S1733 Y1737 Y1788	M1518-P1735 HydrophobicContact CB-CB 4.35Å; M1518-P1735 HydrophobicContact CB-CG 3.88Å; M1518-P1735 HydrophobicContact SD-CB 3.52Å; M1518-P1735 VanDerWaalsContact SD-CB 3.52Å; M1518-P1735 HydrophobicContact SD-CG 4.01Å; I1519-P1735 HydrophobicContact CD1-CG 4.32Å; I1519-P1735 HydrophobicContact CG1-CG 4.46Å; S1733-P1735 WeakPolarHBondContact O-CD 3.38Å; P1735-Y1737 HydrophobicContact CB-CE2 4.4Å; P1735-Y1788 HydrophobicContact CG-CE2 3.88Å; P1735-Y1788 PolarHBondContact O-OH 3.43Å
1736	H	61.3	Low	63.5	Low	49 Å²	49	58.8 Å²	58.8	23%	0.227	29%	0.293	C	S	.	.			trans	-149.2	125.3	-173.4	177.5	42.2	0	0	0	112	C1734 Q1738 Y1739 L1787	C1734-H1736 PolarHBondContact O-N 3.18Å; H1736-Q1738 WeakPolarHBondContact CE1-CA 3.43Å; H1736-Q1738 PolarHBondContact CE1-N 3.42Å; H1736-Y1739 VanDerWaalsContact CE1-CA 3.43Å; H1736-Y1739 WeakPolarHBondContact CE1-CA 2.96Å; H1736-Y1739 WeakPolarHBondContact CE1-CB 3.46Å; H1736-Y1739 AromaticContact CE1-CD1 3.35Å; H1736-Y1739 WeakPolarHBondContact CE1-CD1 3.42Å; H1736-Y1739 AromaticContact CE1-CD2 2.46Å; H1736-Y1739 WeakPolarHBondContact CE1-CD2 3.26Å; H1736-Y1739 AromaticContact CE1-CE1 3.7Å; H1736-Y1739 AromaticContact CE1-CE2 2.92Å; H1736-Y1739 WeakPolarHBondContact CE1-CE2 3.34Å; H1736-Y1739 AromaticContact CE1-CG 2.67Å; H1736-Y1739 AromaticContact CE1-CZ 3.49Å; H1736-Y1739 VanDerWaalsContact CE1-CZ 3.49Å; H1736-Y1739 PolarHBondContact CE1-N 3.33Å; H1736-Y1739 AromaticContact ND1-CD2 3.89Å; H1736-Y1739 WeakPolarHBondContact NE2-CA 3.32Å; H1736-Y1739 WeakPolarHBondContact NE2-CB 3.31Å; H1736-Y1739 AromaticContact NE2-CD2 3.63Å; H1736-Y1739 AromaticContact NE2-CG 3.41Å; H1736-Y1739 PolarHBondContact NE2-N 3.44Å; H1736-Y1739 PolarHBondContact NE2-O 3.44Å; H1736-L1787 HydrophobicContact CB-CD1 3.92Å
1737	Y	47	Very low	63.6	Low	192 Å²	192	56.1 Å²	56.1	75%	0.753	28%	0.281	S	S	*	.			trans	-128.9	2.9	-163.5	-68.3	-71.8	0	0	0	115.5	P1735	P1735-Y1737 HydrophobicContact CB-CE2 4.4Å
1738	Q	46.2	Very low	63.8	Low	145 Å²	145	57.8 Å²	57.8	68%	0.678	29%	0.29	S	S	*	.	S	Bend	trans	-133.3	-7.8	-167.2	-72.8	-170.4	-22.4	0	0	117.1	H1736	H1736-Q1738 WeakPolarHBondContact CE1-CA 3.43Å; H1736-Q1738 PolarHBondContact CE1-N 3.42Å
1739	Y	49.9	Very low	64.3	Low	60 Å²	60	59.9 Å²	59.9	24%	0.235	31%	0.311	C	S	.	.	S	Bend	trans	-132.7	153.6	-179.3	-34.1	-50.7	0	0	0	108.4	L1708 H1736 I1778	L1708-Y1739 HydrophobicContact CD1-CE2 4.43Å; H1736-Y1739 VanDerWaalsContact CE1-CA 3.43Å; H1736-Y1739 WeakPolarHBondContact CE1-CA 2.96Å; H1736-Y1739 WeakPolarHBondContact CE1-CB 3.46Å; H1736-Y1739 AromaticContact CE1-CD1 3.35Å; H1736-Y1739 WeakPolarHBondContact CE1-CD1 3.42Å; H1736-Y1739 AromaticContact CE1-CD2 2.46Å; H1736-Y1739 WeakPolarHBondContact CE1-CD2 3.26Å; H1736-Y1739 AromaticContact CE1-CE1 3.7Å; H1736-Y1739 AromaticContact CE1-CE2 2.92Å; H1736-Y1739 WeakPolarHBondContact CE1-CE2 3.34Å; H1736-Y1739 AromaticContact CE1-CG 2.67Å; H1736-Y1739 AromaticContact CE1-CZ 3.49Å; H1736-Y1739 VanDerWaalsContact CE1-CZ 3.49Å; H1736-Y1739 PolarHBondContact CE1-N 3.33Å; H1736-Y1739 AromaticContact ND1-CD2 3.89Å; H1736-Y1739 WeakPolarHBondContact NE2-CA 3.32Å; H1736-Y1739 WeakPolarHBondContact NE2-CB 3.31Å; H1736-Y1739 AromaticContact NE2-CD2 3.63Å; H1736-Y1739 AromaticContact NE2-CG 3.41Å; H1736-Y1739 PolarHBondContact NE2-N 3.44Å; H1736-Y1739 PolarHBondContact NE2-O 3.44Å; Y1739-I1778 HydrophobicContact CD2-CD1 3.72Å; Y1739-I1778 HydrophobicContact CG-CD1 4.26Å
1740	L	47.1	Very low	64.8	Low	163 Å²	163	65.5 Å²	65.5	85%	0.853	34%	0.337	S	S	*	.			trans	-99.9	122.1	177.1	-71.3	141	0	0	0	109.2	Y1780	L1740-Y1780 VanDerWaalsContact O-CD2 3.23Å; L1740-Y1780 WeakPolarHBondContact O-CD2 3.5Å
1741	G	58	Low	64.8	Low	40 Å²	40	70.4 Å²	70.4	41%	0.412	36%	0.363	S	S	.	.			trans	176.5	159.5	-179.6	0	0	0	0	0	113.5	N1779	G1741-N1779 WeakPolarHBondContact CA-O 3.41Å
1742	D	62.5	Low	64.3	Low	120 Å²	120	69.7 Å²	69.7	64%	0.642	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.8	-177.8	-65.7	-48	0	0	0	111.7	L1744 I1778 N1779	D1742-L1744 PolarHBondContact O-N 3.24Å; D1742-I1778 CarbonylContact O-C 3.55Å; D1742-I1778 WeakPolarHBondContact O-CA 3.38Å; D1742-N1779 HydrophobicContact CB-CB 4.4Å; D1742-N1779 PolarHBondContact N-O 2.78Å; D1742-N1779 PolarHBondContact O-N 2.68Å
1743	T	70.9	Confident	63.5	Low	26 Å²	26	78.8 Å²	78.8	16%	0.16	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.5	175.3	-49.8	0	0	0	0	111.4	C1734 S1757 G1777	C1734-T1743 HydrophobicContact CB-CG2 3.58Å; T1743-S1757 WeakPolarHBondContact CB-O 2.92Å; T1743-S1757 PolarHBondContact OG1-O 3.1Å; T1743-G1777 CarbonylContact C-O 3.51Å; T1743-G1777 WeakPolarHBondContact CA-O 3.36Å
1744	L	76	Confident	62.6	Low	62 Å²	62	86.7 Å²	86.7	33%	0.325	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.8	173	-77.5	165.7	0	0	0	110.7	D1742 C1776 G1777 N1779 F1784	D1742-L1744 PolarHBondContact O-N 3.24Å; L1744-C1776 WeakPolarHBondContact O-CA 3.49Å; L1744-G1777 PolarHBondContact N-O 2.81Å; L1744-G1777 PolarHBondContact O-N 3.19Å; L1744-G1777 VanDerWaalsContact O-N 3.08Å; L1744-N1779 HydrophobicContact CD1-CB 4.04Å; L1744-F1784 HydrophobicContact CB-CD2 3.93Å; L1744-F1784 HydrophobicContact CB-CE2 3.69Å; L1744-F1784 HydrophobicContact CD1-CD2 4.06Å
1745	W	79.4	Confident	61.6	Low	5 Å²	5	88 Å²	88	2%	0.019	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.2	174.6	-72.4	86.9	0	0	0	110.2	I1519 L1732 C1734 I1752 A1755 L1760 I1775 C1776 F1790	I1519-W1745 HydrophobicContact CG2-CH2 4.44Å; L1732-W1745 HydrophobicContact CB-CH2 3.4Å; L1732-W1745 HydrophobicContact CB-CZ2 4.26Å; L1732-W1745 HydrophobicContact CB-CZ3 3.78Å; L1732-W1745 HydrophobicContact CD1-CE3 4.46Å; L1732-W1745 HydrophobicContact CD1-CH2 4.14Å; L1732-W1745 HydrophobicContact CD1-CZ3 3.59Å; L1732-W1745 HydrophobicContact CG-CH2 4.41Å; L1732-W1745 HydrophobicContact CG-CZ3 4.32Å; C1734-W1745 HydrophobicContact CB-CZ2 3.94Å; W1745-I1752 HydrophobicContact CB-CD1 4.46Å; W1745-I1752 PolarHBondContact O-N 3.07Å; W1745-A1755 HydrophobicContact CB-CB 4.06Å; W1745-A1755 HydrophobicContact CG-CB 3.87Å; W1745-L1760 HydrophobicContact CD2-CB 3.91Å; W1745-L1760 HydrophobicContact CE3-CB 3.93Å; W1745-L1760 HydrophobicContact CE3-CD2 4.38Å; W1745-L1760 HydrophobicContact CH2-CB 4.19Å; W1745-L1760 HydrophobicContact CZ2-CB 4.12Å; W1745-L1760 HydrophobicContact CZ3-CB 4.07Å; W1745-I1775 WeakPolarHBondContact CA-O 3.43Å; W1745-C1776 HydrophobicContact CD2-CB 3.71Å; W1745-C1776 HydrophobicContact CE3-CB 3.59Å; W1745-C1776 HydrophobicContact CG-CB 4.48Å; W1745-C1776 HydrophobicContact CH2-CB 3.63Å; W1745-C1776 HydrophobicContact CZ2-CB 3.79Å; W1745-C1776 HydrophobicContact CZ3-CB 3.55Å; W1745-F1790 HydrophobicContact CH2-CE2 4.17Å; W1745-F1790 HydrophobicContact CZ3-CD2 4.16Å; W1745-F1790 AromaticContact CZ3-CE2 3.74Å; W1745-F1790 HydrophobicContact CZ3-CE2 3.74Å
1746	K	81.2	Confident	61.3	Low	46 Å²	46	92.2 Å²	92.2	20%	0.2	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.2	176.8	-73.3	177.2	174.4	173.2	0	111.3	E1750 D1751 W1774 I1775 F1784	K1746-E1750 CarbonylContact C-O 3.46Å; K1746-E1750 WeakPolarHBondContact CA-O 3.4Å; K1746-D1751 WeakPolarHBondContact CE-OD1 3.21Å; K1746-D1751 WeakPolarHBondContact CG-OD1 3.05Å; K1746-D1751 IonicContact NZ-OD1 2.78Å; K1746-W1774 CarbonylContact O-C 3.58Å; K1746-W1774 WeakPolarHBondContact O-CA 3.37Å; K1746-I1775 HydrophobicContact CB-CB 4.44Å; K1746-I1775 PolarHBondContact N-O 2.98Å; K1746-I1775 PolarHBondContact O-N 3.36Å; K1746-F1784 HydrophobicContact CD-CE1 4.08Å; K1746-F1784 HydrophobicContact CD-CZ 4.27Å
1747	K	78.7	Confident	61.2	Low	54 Å²	54	94.3 Å²	94.3	24%	0.235	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.2	174.3	177.9	-162.1	167	-155.9	0	108.6	G1749 E1750 I1752 F1769 I1773 W1774	K1747-G1749 PolarHBondContact O-N 3.36Å; K1747-E1750 PolarHBondContact N-O 3.05Å; K1747-E1750 PolarHBondContact O-N 3.24Å; K1747-I1752 HydrophobicContact CB-CD1 3.6Å; K1747-I1752 HydrophobicContact CB-CG1 4.32Å; K1747-F1769 WeakPolarHBondContact CE-O 3.4Å; K1747-F1769 PolarHBondContact NZ-O 2.76Å; K1747-I1773 CarbonylContact C-O 3.55Å; K1747-I1773 WeakPolarHBondContact CA-O 3.44Å; K1747-W1774 HydrophobicContact CB-CD2 4.05Å; K1747-W1774 HydrophobicContact CB-CE3 3.88Å; K1747-W1774 HydrophobicContact CB-CH2 4.43Å; K1747-W1774 HydrophobicContact CB-CZ3 4.11Å; K1747-W1774 HydrophobicContact CD-CH2 3.96Å; K1747-W1774 HydrophobicContact CD-CZ2 3.71Å; K1747-W1774 HydrophobicContact CD-CZ3 4.46Å; K1747-W1774 HydrophobicContact CG-CD2 4Å; K1747-W1774 HydrophobicContact CG-CE3 4.28Å; K1747-W1774 HydrophobicContact CG-CH2 4.37Å; K1747-W1774 HydrophobicContact CG-CZ2 4.05Å; K1747-W1774 HydrophobicContact CG-CZ3 4.48Å
1748	N	72	Confident	62	Low	109 Å²	109	89.9 Å²	89.9	58%	0.583	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	16.9	-174.4	-60.5	-18.9	0	0	0	114.9	I1773	N1748-I1773 PolarHBondContact N-O 3.12Å; N1748-I1773 PolarHBondContact OD1-N 2.85Å; N1748-I1773 PolarHBondContact OD1-O 3.29Å
1749	G	64.8	Low	62.8	Low	48 Å²	48	87 Å²	87	50%	0.495	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	110	-18.4	-176.2	0	0	0	0	0	115.4	K1747	K1747-G1749 PolarHBondContact O-N 3.36Å
1750	E	70.5	Confident	63.8	Low	151 Å²	151	84.4 Å²	84.4	71%	0.706	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.9	-177.7	-60.4	-177.9	142.5	0	0	112.2	K1746 K1747	K1746-E1750 CarbonylContact C-O 3.46Å; K1746-E1750 WeakPolarHBondContact CA-O 3.4Å; K1747-E1750 PolarHBondContact N-O 3.05Å; K1747-E1750 PolarHBondContact O-N 3.24Å
1751	D	63.9	Low	64.6	Low	108 Å²	108	78.4 Å²	78.4	58%	0.578	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	144.3	176.3	-71.2	-52.8	0	0	0	112.3	K1746	K1746-D1751 WeakPolarHBondContact CE-OD1 3.21Å; K1746-D1751 WeakPolarHBondContact CG-OD1 3.05Å; K1746-D1751 IonicContact NZ-OD1 2.78Å
1752	I	62.2	Low	65.2	Low	52 Å²	52	77.2 Å²	77.2	27%	0.267	41%	0.412	S	S	.	.			trans	-119.8	113.3	-169.2	-42.2	177.8	0	0	0	111.6	W1745 K1747 Q1754 W1774	W1745-I1752 HydrophobicContact CB-CD1 4.46Å; W1745-I1752 PolarHBondContact O-N 3.07Å; K1747-I1752 HydrophobicContact CB-CD1 3.6Å; K1747-I1752 HydrophobicContact CB-CG1 4.32Å; I1752-Q1754 PolarHBondContact O-N 3.17Å; I1752-W1774 HydrophobicContact CD1-CE3 3.63Å; I1752-W1774 HydrophobicContact CD1-CH2 4.24Å; I1752-W1774 HydrophobicContact CD1-CZ3 3.26Å
1753	L	50.2	Low	64.9	Low	190 Å²	190	75.5 Å²	75.5	100%	0.995	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	6.1	-175.2	-76.6	162.3	0	0	0	116.4
1754	Q	48	Very low	64.7	Low	177 Å²	177	80.3 Å²	80.3	83%	0.827	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	13.1	-159.8	-137.5	172.2	9	0	0	115.2	I1752	I1752-Q1754 PolarHBondContact O-N 3.17Å
1755	A	48.5	Very low	64.5	Low	32 Å²	32	77.3 Å²	77.3	26%	0.264	41%	0.405	S	S	.	.			trans	-93.3	137.8	175	0	0	0	0	0	111.8	W1745 L1760	W1745-A1755 HydrophobicContact CB-CB 4.06Å; W1745-A1755 HydrophobicContact CG-CB 3.87Å; A1755-L1760 HydrophobicContact CB-CD1 4.44Å
1756	N	48.7	Very low	64.7	Low	107 Å²	107	79.5 Å²	79.5	57%	0.572	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-74.9	149.9	170.6	-63.3	-27.7	0	0	0	108.7	E1758 Y1759	N1756-E1758 PolarHBondContact O-N 3.44Å; N1756-Y1759 PolarHBondContact N-O 2.87Å; N1756-Y1759 PolarHBondContact O-N 3.1Å; N1756-Y1759 VanDerWaalsContact O-O 3.07Å
1757	S	60.2	Low	64.8	Low	93 Å²	93	79.4 Å²	79.4	65%	0.65	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	12.9	-162.9	64.8	0	0	0	0	118.3	T1743	T1743-S1757 WeakPolarHBondContact CB-O 2.92Å; T1743-S1757 PolarHBondContact OG1-O 3.1Å
1758	E	63.1	Low	64.9	Low	99 Å²	99	85.2 Å²	85.2	46%	0.463	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.4	-9.5	171	-74.9	-176.9	167.3	0	0	112.1	S1733 C1734 N1756	S1733-E1758 CarbonylContact C-O 3.5Å; S1733-E1758 VanDerWaalsContact CA-O 3.26Å; S1733-E1758 WeakPolarHBondContact CA-O 3.35Å; C1734-E1758 PolarHBondContact N-O 3.37Å; N1756-E1758 PolarHBondContact O-N 3.44Å
1759	Y	62.5	Low	65.4	Low	84 Å²	84	85.4 Å²	85.4	33%	0.329	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	134.3	-163.6	-51.9	-75.8	0	0	0	113.7	F1731 L1732 S1733 N1756	F1731-Y1759 AromaticContact CE1-CD1 3.93Å; F1731-Y1759 HydrophobicContact CE1-CD1 3.93Å; F1731-Y1759 HydrophobicContact CE1-CE1 4.44Å; F1731-Y1759 HydrophobicContact CE2-CD1 4.19Å; F1731-Y1759 HydrophobicContact CE2-CG 4.35Å; F1731-Y1759 AromaticContact CZ-CD1 3.33Å; F1731-Y1759 HydrophobicContact CZ-CD1 3.33Å; F1731-Y1759 AromaticContact CZ-CE1 3.98Å; F1731-Y1759 HydrophobicContact CZ-CE1 3.98Å; F1731-Y1759 AromaticContact CZ-CG 3.91Å; F1731-Y1759 HydrophobicContact CZ-CG 3.91Å; L1732-Y1759 CarbonylContact O-C 3.47Å; L1732-Y1759 VanDerWaalsContact O-CA 3.27Å; L1732-Y1759 WeakPolarHBondContact O-CA 3.43Å; S1733-Y1759 VanDerWaalsContact CB-CD1 3.43Å; N1756-Y1759 PolarHBondContact N-O 2.87Å; N1756-Y1759 PolarHBondContact O-N 3.1Å; N1756-Y1759 VanDerWaalsContact O-O 3.07Å
1760	L	72	Confident	66.3	Low	6 Å²	6	85.3 Å²	85.3	3%	0.031	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.8	163.2	-178.9	74.5	0	0	0	109.8	F1731 L1732 W1745 A1755 I1762 W1774	F1731-L1760 WeakPolarHBondContact CA-O 3.45Å; L1732-L1760 HydrophobicContact CB-CB 4.04Å; L1732-L1760 HydrophobicContact CD1-CB 4.4Å; L1732-L1760 HydrophobicContact CD1-CD2 3.57Å; L1732-L1760 HydrophobicContact CG-CB 4.27Å; L1732-L1760 HydrophobicContact CG-CD2 3.99Å; L1732-L1760 PolarHBondContact N-O 3.36Å; L1732-L1760 PolarHBondContact O-N 2.62Å; W1745-L1760 HydrophobicContact CD2-CB 3.91Å; W1745-L1760 HydrophobicContact CE3-CB 3.93Å; W1745-L1760 HydrophobicContact CE3-CD2 4.38Å; W1745-L1760 HydrophobicContact CH2-CB 4.19Å; W1745-L1760 HydrophobicContact CZ2-CB 4.12Å; W1745-L1760 HydrophobicContact CZ3-CB 4.07Å; A1755-L1760 HydrophobicContact CB-CD1 4.44Å; L1760-I1762 HydrophobicContact CD2-CD1 4.21Å; L1760-I1762 HydrophobicContact CD2-CG1 4.39Å; L1760-I1762 HydrophobicContact CG-CG1 4.33Å; L1760-W1774 HydrophobicContact CD1-CE3 4.18Å; L1760-W1774 HydrophobicContact CD1-CH2 4.42Å; L1760-W1774 HydrophobicContact CD1-CZ3 3.61Å; L1760-W1774 HydrophobicContact CD2-CD2 3.87Å; L1760-W1774 HydrophobicContact CD2-CE3 3.28Å; L1760-W1774 HydrophobicContact CD2-CH2 4.13Å; L1760-W1774 HydrophobicContact CD2-CZ3 3.41Å; L1760-W1774 VanDerWaalsContact CD2-CZ3 3.41Å; L1760-W1774 HydrophobicContact CG-CE3 4.36Å; L1760-W1774 HydrophobicContact CG-CZ3 4.13Å
1761	V	63.5	Low	66.8	Low	38 Å²	38	80.8 Å²	80.8	23%	0.23	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135	175.8	-170.4	0	0	0	0	108.8	L1496 L1729 V1730 F1731 E1763	L1496-V1761 HydrophobicContact CD1-CB 4.38Å; L1496-V1761 HydrophobicContact CD1-CG1 3.78Å; L1496-V1761 HydrophobicContact CD1-CG2 3.94Å; L1496-V1761 HydrophobicContact CD2-CG1 3.84Å; L1496-V1761 HydrophobicContact CG-CG1 4.46Å; L1729-V1761 HydrophobicContact CD1-CG1 3.84Å; V1730-V1761 WeakPolarHBondContact O-CA 3.31Å; F1731-V1761 HydrophobicContact CD2-CG2 4.05Å; F1731-V1761 HydrophobicContact CE2-CG2 4.16Å; V1761-E1763 HydrophobicContact CG1-CG 4.33Å
1762	I	71.4	Confident	67.7	Low	15 Å²	15	76.4 Å²	76.4	8%	0.077	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	100.4	173.7	-50.7	178	0	0	0	107.9	L1729 V1730 L1760 H1764 H1770 W1774	L1729-I1762 WeakPolarHBondContact CA-O 2.67Å; L1729-I1762 WeakPolarHBondContact CD1-O 3.33Å; V1730-I1762 HydrophobicContact CB-CB 3.82Å; V1730-I1762 HydrophobicContact CB-CD1 4.05Å; V1730-I1762 HydrophobicContact CB-CG1 4.02Å; V1730-I1762 HydrophobicContact CG1-CD1 4.45Å; V1730-I1762 HydrophobicContact CG2-CB 3.87Å; V1730-I1762 HydrophobicContact CG2-CD1 3.95Å; V1730-I1762 HydrophobicContact CG2-CG1 4.27Å; V1730-I1762 HydrophobicContact CG2-CG2 4.48Å; V1730-I1762 PolarHBondContact N-O 2.78Å; V1730-I1762 PolarHBondContact O-N 2.67Å; L1760-I1762 HydrophobicContact CD2-CD1 4.21Å; L1760-I1762 HydrophobicContact CD2-CG1 4.39Å; L1760-I1762 HydrophobicContact CG-CG1 4.33Å; I1762-H1764 VanDerWaalsContact C-N 3.33Å; I1762-H1764 PolarHBondContact O-N 2.8Å; I1762-H1770 HydrophobicContact CD1-CB 4.23Å; I1762-H1770 HydrophobicContact CG2-CB 4.49Å; I1762-H1770 VanDerWaalsContact CG2-CE1 3.41Å; I1762-H1770 WeakPolarHBondContact CG2-CE1 3.06Å; I1762-H1770 VanDerWaalsContact CG2-ND1 3.3Å; I1762-H1770 WeakPolarHBondContact CG2-ND1 3.45Å; I1762-W1774 HydrophobicContact CD1-CH2 3.51Å; I1762-W1774 HydrophobicContact CD1-CZ2 3.49Å; I1762-W1774 VanDerWaalsContact CD1-CZ2 3.49Å; I1762-W1774 HydrophobicContact CD1-CZ3 4.32Å; I1762-W1774 HydrophobicContact CG1-CH2 4.42Å
1763	E	55	Low	68.5	Low	83 Å²	83	76.9 Å²	76.9	39%	0.388	39%	0.394	S	S	.	.	S	Bend	trans	-66.4	-30.9	-172.2	-66.9	176.7	139.1	0	0	113.5	Y1473 L1496 L1729 V1761	Y1473-E1763 PolarHBondContact OH-OE1 2.85Å; Y1473-E1763 PolarHBondContact OH-OE2 2.99Å; L1496-E1763 HydrophobicContact CD2-CG 4.1Å; L1496-E1763 WeakPolarHBondContact CD2-OE1 3.47Å; L1729-E1763 HydrophobicContact CD1-CG 4.28Å; V1761-E1763 HydrophobicContact CG1-CG 4.33Å
1764	H	67.7	Low	70.1	Confident	127 Å²	127	68.3 Å²	68.3	59%	0.588	35%	0.348	S	S	*	.	S	Bend	trans	-129.9	97.6	175.8	-59.6	-57.3	0	0	0	111.2	I1762 N1766 H1770	I1762-H1764 VanDerWaalsContact C-N 3.33Å; I1762-H1764 PolarHBondContact O-N 2.8Å; H1764-N1766 PolarHBondContact O-N 2.14Å; H1764-H1770 PolarHBondContact O-CE1 3.31Å; H1764-H1770 VanDerWaalsContact O-CE1 3.27Å; H1764-H1770 PolarHBondContact O-ND1 3.31Å
1765	A	71.4	Confident	71.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.			trans	-64.5	125.9	174.6	0	0	0	0	0	110.7	V1724 D1727 G1728 V1730 V1794	V1724-A1765 HydrophobicContact CB-CB 4.25Å; V1724-A1765 HydrophobicContact CG1-CB 3.69Å; D1727-A1765 PolarHBondContact N-O 2.82Å; G1728-A1765 WeakPolarHBondContact O-CB 2.93Å; G1728-A1765 PolarHBondContact O-N 2.86Å; V1730-A1765 HydrophobicContact CG2-CB 4.25Å; A1765-V1794 HydrophobicContact CB-CG1 3.79Å; A1765-V1794 HydrophobicContact CB-CG2 4.05Å
1766	N	83.9	Confident	73.3	Confident	51 Å²	51	59.3 Å²	59.3	27%	0.273	30%	0.301	S	S	.	.			trans	-124.6	124.9	-176.2	-175.9	-55.3	0	0	0	109.3	H1764 K1768 F1769 H1770	H1764-N1766 PolarHBondContact O-N 2.14Å; N1766-K1768 PolarHBondContact O-N 3.22Å; N1766-K1768 VanDerWaalsContact O-N 3.08Å; N1766-K1768 WeakPolarHBondContact OD1-CB 3.35Å; N1766-K1768 PolarHBondContact OD1-N 3.32Å; N1766-F1769 HydrophobicContact CB-CB 4.32Å; N1766-F1769 HydrophobicContact CB-CD2 4.01Å; N1766-F1769 PolarHBondContact O-N 3.35Å; N1766-H1770 PolarHBondContact N-ND1 3.31Å; N1766-H1770 VanDerWaalsContact N-ND1 3.2Å; N1766-H1770 PolarHBondContact O-N 2.96Å
1767	P	82.8	Confident	74.5	Confident	44 Å²	44	54.2 Å²	54.2	29%	0.286	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.9	-178.1	-26.5	33.9	0	0	0	115.6	K1726 T1771 V1794 Y1796	K1726-P1767 HydrophobicContact CB-CG 4.47Å; P1767-T1771 PolarHBondContact O-OG1 2.74Å; P1767-V1794 HydrophobicContact CB-CB 4.27Å; P1767-V1794 HydrophobicContact CG-CB 3.96Å; P1767-V1794 HydrophobicContact CG-CG1 3.92Å; P1767-Y1796 HydrophobicContact CG-CD1 4.21Å
1768	K	81.6	Confident	75.3	Confident	175 Å²	175	49.8 Å²	49.8	76%	0.761	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-23.8	178.7	-167.9	175.1	-179.1	179.3	0	113.5	N1766	N1766-K1768 PolarHBondContact O-N 3.22Å; N1766-K1768 VanDerWaalsContact O-N 3.08Å; N1766-K1768 WeakPolarHBondContact OD1-CB 3.35Å; N1766-K1768 PolarHBondContact OD1-N 3.32Å
1769	F	81.4	Confident	75.7	Confident	114 Å²	114	47.3 Å²	47.3	50%	0.5	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-28.8	-168.1	-59.8	-55.5	0	0	0	115.3	K1747 N1766	K1747-F1769 WeakPolarHBondContact CE-O 3.4Å; K1747-F1769 PolarHBondContact NZ-O 2.76Å; N1766-F1769 HydrophobicContact CB-CB 4.32Å; N1766-F1769 HydrophobicContact CB-CD2 4.01Å; N1766-F1769 PolarHBondContact O-N 3.35Å
1770	H	83.6	Confident	75.7	Confident	45 Å²	45	47.6 Å²	47.6	21%	0.208	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-17.8	-169.7	-59.4	139.9	0	0	0	114.1	I1762 H1764 N1766 W1774 V1794	I1762-H1770 HydrophobicContact CD1-CB 4.23Å; I1762-H1770 HydrophobicContact CG2-CB 4.49Å; I1762-H1770 VanDerWaalsContact CG2-CE1 3.41Å; I1762-H1770 WeakPolarHBondContact CG2-CE1 3.06Å; I1762-H1770 VanDerWaalsContact CG2-ND1 3.3Å; I1762-H1770 WeakPolarHBondContact CG2-ND1 3.45Å; H1764-H1770 PolarHBondContact O-CE1 3.31Å; H1764-H1770 VanDerWaalsContact O-CE1 3.27Å; H1764-H1770 PolarHBondContact O-ND1 3.31Å; N1766-H1770 PolarHBondContact N-ND1 3.31Å; N1766-H1770 VanDerWaalsContact N-ND1 3.2Å; N1766-H1770 PolarHBondContact O-N 2.96Å; H1770-W1774 PolarHBondContact O-NE1 2.97Å; H1770-W1774 VanDerWaalsContact O-NE1 3.09Å; H1770-V1794 HydrophobicContact CB-CG2 4.25Å
1771	T	81.9	Confident	75.4	Confident	57 Å²	57	53.5 Å²	53.5	35%	0.35	27%	0.266	S	S	.	.			trans	-55.2	135.8	163.1	-51.7	0	0	0	0	111.4	P1767 I1792	P1767-T1771 PolarHBondContact O-OG1 2.74Å; T1771-I1792 CarbonylContact C-O 3.31Å; T1771-I1792 VanDerWaalsContact CA-O 3.32Å; T1771-I1792 WeakPolarHBondContact CA-O 2.97Å
1772	G	81.6	Confident	75.4	Confident	15 Å²	15	58.9 Å²	58.9	16%	0.155	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.6	-170.8	177.8	0	0	0	0	0	114.3	I1792	G1772-I1792 PolarHBondContact N-O 2.96Å; G1772-I1792 PolarHBondContact O-N 2.95Å
1773	I	79.6	Confident	75.1	Confident	63 Å²	63	63.3 Å²	63.3	32%	0.323	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.5	-176.5	-66.5	176.6	0	0	0	110.2	K1747 N1748 I1775 K1789 F1790	K1747-I1773 CarbonylContact C-O 3.55Å; K1747-I1773 WeakPolarHBondContact CA-O 3.44Å; N1748-I1773 PolarHBondContact N-O 3.12Å; N1748-I1773 PolarHBondContact OD1-N 2.85Å; N1748-I1773 PolarHBondContact OD1-O 3.29Å; I1773-I1775 HydrophobicContact CG2-CG1 4.31Å; I1773-K1789 HydrophobicContact CG2-CD 4.43Å; I1773-K1789 HydrophobicContact CG2-CG 4.11Å; I1773-F1790 WeakPolarHBondContact CA-O 3.24Å
1774	W	84.1	Confident	76.1	Confident	10 Å²	10	62 Å²	62	4%	0.038	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.4	177.3	-62	75.9	0	0	0	109.9	L1732 K1746 K1747 I1752 L1760 I1762 H1770 K1789 F1790 I1792	L1732-W1774 HydrophobicContact CD1-CB 4.34Å; K1746-W1774 CarbonylContact O-C 3.58Å; K1746-W1774 WeakPolarHBondContact O-CA 3.37Å; K1747-W1774 HydrophobicContact CB-CD2 4.05Å; K1747-W1774 HydrophobicContact CB-CE3 3.88Å; K1747-W1774 HydrophobicContact CB-CH2 4.43Å; K1747-W1774 HydrophobicContact CB-CZ3 4.11Å; K1747-W1774 HydrophobicContact CD-CH2 3.96Å; K1747-W1774 HydrophobicContact CD-CZ2 3.71Å; K1747-W1774 HydrophobicContact CD-CZ3 4.46Å; K1747-W1774 HydrophobicContact CG-CD2 4Å; K1747-W1774 HydrophobicContact CG-CE3 4.28Å; K1747-W1774 HydrophobicContact CG-CH2 4.37Å; K1747-W1774 HydrophobicContact CG-CZ2 4.05Å; K1747-W1774 HydrophobicContact CG-CZ3 4.48Å; I1752-W1774 HydrophobicContact CD1-CE3 3.63Å; I1752-W1774 HydrophobicContact CD1-CH2 4.24Å; I1752-W1774 HydrophobicContact CD1-CZ3 3.26Å; L1760-W1774 HydrophobicContact CD1-CE3 4.18Å; L1760-W1774 HydrophobicContact CD1-CH2 4.42Å; L1760-W1774 HydrophobicContact CD1-CZ3 3.61Å; L1760-W1774 HydrophobicContact CD2-CD2 3.87Å; L1760-W1774 HydrophobicContact CD2-CE3 3.28Å; L1760-W1774 HydrophobicContact CD2-CH2 4.13Å; L1760-W1774 HydrophobicContact CD2-CZ3 3.41Å; L1760-W1774 VanDerWaalsContact CD2-CZ3 3.41Å; L1760-W1774 HydrophobicContact CG-CE3 4.36Å; L1760-W1774 HydrophobicContact CG-CZ3 4.13Å; I1762-W1774 HydrophobicContact CD1-CH2 3.51Å; I1762-W1774 HydrophobicContact CD1-CZ2 3.49Å; I1762-W1774 VanDerWaalsContact CD1-CZ2 3.49Å; I1762-W1774 HydrophobicContact CD1-CZ3 4.32Å; I1762-W1774 HydrophobicContact CG1-CH2 4.42Å; H1770-W1774 PolarHBondContact O-NE1 2.97Å; H1770-W1774 VanDerWaalsContact O-NE1 3.09Å; W1774-K1789 CarbonylContact O-C 3.07Å; W1774-K1789 WeakPolarHBondContact O-CA 3.49Å; W1774-F1790 HydrophobicContact CB-CB 4.43Å; W1774-F1790 HydrophobicContact CB-CD2 4.21Å; W1774-F1790 PolarHBondContact N-O 2.88Å; W1774-F1790 WeakPolarHBondContact O-CD2 3.05Å; W1774-F1790 PolarHBondContact O-N 3.1Å; W1774-I1792 HydrophobicContact CG-CD1 4.18Å
1775	I	81.6	Confident	76.1	Confident	19 Å²	19	59 Å²	59	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.3	-175.8	-57.9	173.3	0	0	0	108.3	W1745 K1746 I1773 F1784 E1786 Y1788 K1789	W1745-I1775 WeakPolarHBondContact CA-O 3.43Å; K1746-I1775 HydrophobicContact CB-CB 4.44Å; K1746-I1775 PolarHBondContact N-O 2.98Å; K1746-I1775 PolarHBondContact O-N 3.36Å; I1773-I1775 HydrophobicContact CG2-CG1 4.31Å; I1775-F1784 HydrophobicContact CG2-CE1 4.41Å; I1775-F1784 HydrophobicContact CG2-CZ 4.23Å; I1775-E1786 HydrophobicContact CG2-CG 4.04Å; I1775-Y1788 WeakPolarHBondContact CA-O 3.07Å; I1775-K1789 HydrophobicContact CG1-CB 4.5Å; I1775-K1789 HydrophobicContact CG1-CG 4.17Å
1776	C	81.2	Confident	76.2	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.2	168.3	86	0	0	0	0	111.4	C1734 L1744 W1745 L1787 Y1788	C1734-C1776 VanDerWaalsContact CA-SG 3.57Å; C1734-C1776 HydrophobicContact CB-CB 3.71Å; C1734-C1776 WeakPolarHBondContact CB-SG 3.49Å; C1734-C1776 WeakPolarHBondContact SG-CB 3.41Å; C1734-C1776 CovalentContact SG-SG 2.04Å; C1734-C1776 PolarHBondContact SG-SG 3.06Å; L1744-C1776 WeakPolarHBondContact O-CA 3.49Å; W1745-C1776 HydrophobicContact CD2-CB 3.71Å; W1745-C1776 HydrophobicContact CE3-CB 3.59Å; W1745-C1776 HydrophobicContact CG-CB 4.48Å; W1745-C1776 HydrophobicContact CH2-CB 3.63Å; W1745-C1776 HydrophobicContact CZ2-CB 3.79Å; W1745-C1776 HydrophobicContact CZ3-CB 3.55Å; C1776-L1787 PolarHBondContact O-N 3.1Å; C1776-Y1788 PolarHBondContact N-O 3.31Å; C1776-Y1788 PolarHBondContact O-N 2.89Å; C1776-Y1788 VanDerWaalsContact O-N 3.11Å
1777	G	74.9	Confident	75.3	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	178.3	-179.3	0	0	0	0	0	111.5	T1743 L1744 F1784 I1785	T1743-G1777 CarbonylContact C-O 3.51Å; T1743-G1777 WeakPolarHBondContact CA-O 3.36Å; L1744-G1777 PolarHBondContact N-O 2.81Å; L1744-G1777 PolarHBondContact O-N 3.19Å; L1744-G1777 VanDerWaalsContact O-N 3.08Å; G1777-F1784 VanDerWaalsContact CA-CE2 3.5Å; G1777-I1785 CarbonylContact C-O 3.53Å; G1777-I1785 WeakPolarHBondContact CA-O 3.05Å
1778	I	76.1	Confident	74.6	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.8	176.4	56.4	168	0	0	0	111.6	Y1739 D1742 F1784 I1785 L1787	Y1739-I1778 HydrophobicContact CD2-CD1 3.72Å; Y1739-I1778 HydrophobicContact CG-CD1 4.26Å; D1742-I1778 CarbonylContact O-C 3.55Å; D1742-I1778 WeakPolarHBondContact O-CA 3.38Å; I1778-F1784 CarbonylContact O-C 3.6Å; I1778-F1784 WeakPolarHBondContact O-CA 3.35Å; I1778-I1785 HydrophobicContact CD1-CD1 4.47Å; I1778-I1785 HydrophobicContact CG1-CB 4.04Å; I1778-I1785 HydrophobicContact CG1-CD1 4.49Å; I1778-I1785 PolarHBondContact N-O 3.47Å; I1778-I1785 PolarHBondContact O-N 3.12Å; I1778-L1787 HydrophobicContact CG1-CD1 4.4Å; I1778-L1787 HydrophobicContact CG2-CD1 3.91Å
1779	N	71.7	Confident	74.2	Confident	46 Å²	46	63 Å²	63	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	112.8	166.6	-168.7	12.5	0	0	0	109.5	G1741 D1742 L1744 N1782 N1783	G1741-N1779 WeakPolarHBondContact CA-O 3.41Å; D1742-N1779 HydrophobicContact CB-CB 4.4Å; D1742-N1779 PolarHBondContact N-O 2.78Å; D1742-N1779 PolarHBondContact O-N 2.68Å; L1744-N1779 HydrophobicContact CD1-CB 4.04Å; N1779-N1782 VanDerWaalsContact OD1-C 3.24Å; N1779-N1782 WeakPolarHBondContact OD1-CA 3.49Å; N1779-N1783 PolarHBondContact OD1-N 3.17Å
1780	Y	62.6	Low	73.7	Confident	91 Å²	91	58.6 Å²	58.6	36%	0.357	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.1	178.2	-172.5	-76.7	0	0	0	109	L1740 N1782 N1783 I1785	L1740-Y1780 VanDerWaalsContact O-CD2 3.23Å; L1740-Y1780 WeakPolarHBondContact O-CD2 3.5Å; Y1780-N1782 VanDerWaalsContact C-N 3.29Å; Y1780-N1782 PolarHBondContact O-N 2.04Å; Y1780-N1783 PolarHBondContact N-O 2.8Å; Y1780-N1783 WeakPolarHBondContact O-CB 3.07Å; Y1780-N1783 PolarHBondContact O-N 2.91Å; Y1780-I1785 HydrophobicContact CG-CD1 4.38Å
1781	D	65.7	Low	73.5	Confident	130 Å²	130	58.6 Å²	58.6	70%	0.695	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	49.1	-174	-71.2	-30.3	0	0	0	113.4	N1783	D1781-N1783 PolarHBondContact O-N 3.01Å; D1781-N1783 PolarHBondContact O-ND2 3.1Å
1782	N	64.4	Low	73.3	Confident	150 Å²	150	56 Å²	56	80%	0.802	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	11.7	-174.8	-66.2	-34.3	0	0	0	116.2	N1779 Y1780	N1779-N1782 VanDerWaalsContact OD1-C 3.24Å; N1779-N1782 WeakPolarHBondContact OD1-CA 3.49Å; Y1780-N1782 VanDerWaalsContact C-N 3.29Å; Y1780-N1782 PolarHBondContact O-N 2.04Å
1783	N	65.5	Low	73.2	Confident	109 Å²	109	55.9 Å²	55.9	58%	0.583	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.9	173.7	-65.6	-81.1	0	0	0	110.6	N1779 Y1780 D1781 I1785	N1779-N1783 PolarHBondContact OD1-N 3.17Å; Y1780-N1783 PolarHBondContact N-O 2.8Å; Y1780-N1783 WeakPolarHBondContact O-CB 3.07Å; Y1780-N1783 PolarHBondContact O-N 2.91Å; D1781-N1783 PolarHBondContact O-N 3.01Å; D1781-N1783 PolarHBondContact O-ND2 3.1Å; N1783-I1785 PolarHBondContact O-N 3.05Å
1784	F	74.4	Confident	73.3	Confident	54 Å²	54	53 Å²	53	24%	0.237	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.3	173.2	176.5	-110.4	0	0	0	110.2	L1744 K1746 I1775 G1777 I1778 E1786	L1744-F1784 HydrophobicContact CB-CD2 3.93Å; L1744-F1784 HydrophobicContact CB-CE2 3.69Å; L1744-F1784 HydrophobicContact CD1-CD2 4.06Å; K1746-F1784 HydrophobicContact CD-CE1 4.08Å; K1746-F1784 HydrophobicContact CD-CZ 4.27Å; I1775-F1784 HydrophobicContact CG2-CE1 4.41Å; I1775-F1784 HydrophobicContact CG2-CZ 4.23Å; G1777-F1784 VanDerWaalsContact CA-CE2 3.5Å; I1778-F1784 CarbonylContact O-C 3.6Å; I1778-F1784 WeakPolarHBondContact O-CA 3.35Å; F1784-E1786 HydrophobicContact CD1-CG 4.12Å; F1784-E1786 HydrophobicContact CE1-CG 3.54Å; F1784-E1786 HydrophobicContact CZ-CG 4.3Å
1785	I	68.2	Low	73.2	Confident	64 Å²	64	52.6 Å²	52.6	33%	0.328	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	109.5	174.3	-56.1	177.1	0	0	0	107.7	G1777 I1778 Y1780 N1783 L1787	G1777-I1785 CarbonylContact C-O 3.53Å; G1777-I1785 WeakPolarHBondContact CA-O 3.05Å; I1778-I1785 HydrophobicContact CD1-CD1 4.47Å; I1778-I1785 HydrophobicContact CG1-CB 4.04Å; I1778-I1785 HydrophobicContact CG1-CD1 4.49Å; I1778-I1785 PolarHBondContact N-O 3.47Å; I1778-I1785 PolarHBondContact O-N 3.12Å; Y1780-I1785 HydrophobicContact CG-CD1 4.38Å; N1783-I1785 PolarHBondContact O-N 3.05Å; I1785-L1787 HydrophobicContact CG2-CD2 4.41Å; I1785-L1787 PolarHBondContact O-N 3.21Å
1786	E	72.7	Confident	73.3	Confident	126 Å²	126	55.7 Å²	55.7	59%	0.589	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.6	171.1	-71.9	-173.6	179.9	0	0	110.6	I1775 F1784	I1775-E1786 HydrophobicContact CG2-CG 4.04Å; F1784-E1786 HydrophobicContact CD1-CG 4.12Å; F1784-E1786 HydrophobicContact CE1-CG 3.54Å; F1784-E1786 HydrophobicContact CZ-CG 4.3Å
1787	L	66.3	Low	73.4	Confident	49 Å²	49	58.4 Å²	58.4	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-44.7	176.5	-65.2	178.5	0	0	0	111.5	H1736 C1776 I1778 I1785	H1736-L1787 HydrophobicContact CB-CD1 3.92Å; C1776-L1787 PolarHBondContact O-N 3.1Å; I1778-L1787 HydrophobicContact CG1-CD1 4.4Å; I1778-L1787 HydrophobicContact CG2-CD1 3.91Å; I1785-L1787 HydrophobicContact CG2-CD2 4.41Å; I1785-L1787 PolarHBondContact O-N 3.21Å
1788	Y	66.8	Low	74	Confident	70 Å²	70	58.7 Å²	58.7	28%	0.275	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.3	-174.1	-54.3	-85.3	0	0	0	113.2	I1519 P1735 I1775 C1776 F1790	I1519-Y1788 HydrophobicContact CD1-CD1 3.58Å; I1519-Y1788 HydrophobicContact CD1-CD2 3.56Å; I1519-Y1788 HydrophobicContact CD1-CE1 4.03Å; I1519-Y1788 HydrophobicContact CD1-CE2 4.03Å; I1519-Y1788 HydrophobicContact CD1-CG 3.32Å; P1735-Y1788 HydrophobicContact CG-CE2 3.88Å; P1735-Y1788 PolarHBondContact O-OH 3.43Å; I1775-Y1788 WeakPolarHBondContact CA-O 3.07Å; C1776-Y1788 PolarHBondContact N-O 3.31Å; C1776-Y1788 PolarHBondContact O-N 2.89Å; C1776-Y1788 VanDerWaalsContact O-N 3.11Å; Y1788-F1790 HydrophobicContact CG-CZ 4.42Å
1789	K	74.4	Confident	74.5	Confident	111 Å²	111	62.8 Å²	62.8	48%	0.483	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	144.3	-174.3	179.1	175.7	-177	176.3	0	111.9	I1773 W1774 I1775	I1773-K1789 HydrophobicContact CG2-CD 4.43Å; I1773-K1789 HydrophobicContact CG2-CG 4.11Å; W1774-K1789 CarbonylContact O-C 3.07Å; W1774-K1789 WeakPolarHBondContact O-CA 3.49Å; I1775-K1789 HydrophobicContact CG1-CB 4.5Å; I1775-K1789 HydrophobicContact CG1-CG 4.17Å
1790	F	70.9	Confident	75.1	Confident	20 Å²	20	60.9 Å²	60.9	9%	0.088	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.6	-172	-41.8	-67.4	0	0	0	111.3	I1519 I1722 L1732 W1745 I1773 W1774 Y1788	I1519-F1790 HydrophobicContact CB-CD1 4.33Å; I1519-F1790 HydrophobicContact CB-CE1 3.52Å; I1519-F1790 HydrophobicContact CB-CZ 3.83Å; I1519-F1790 HydrophobicContact CD1-CE1 3.82Å; I1519-F1790 HydrophobicContact CD1-CZ 3.61Å; I1519-F1790 HydrophobicContact CG1-CE1 4.25Å; I1519-F1790 HydrophobicContact CG1-CZ 4.29Å; I1519-F1790 HydrophobicContact CG2-CD1 3.92Å; I1519-F1790 HydrophobicContact CG2-CD2 4.41Å; I1519-F1790 HydrophobicContact CG2-CE1 3.23Å; I1519-F1790 HydrophobicContact CG2-CE2 3.79Å; I1519-F1790 HydrophobicContact CG2-CG 4.47Å; I1519-F1790 HydrophobicContact CG2-CZ 3.15Å; I1722-F1790 HydrophobicContact CD1-CB 4.06Å; I1722-F1790 HydrophobicContact CD1-CD1 4.45Å; L1732-F1790 HydrophobicContact CD1-CD2 3.73Å; L1732-F1790 HydrophobicContact CD1-CE2 4.32Å; L1732-F1790 HydrophobicContact CD1-CG 4.15Å; W1745-F1790 HydrophobicContact CH2-CE2 4.17Å; W1745-F1790 HydrophobicContact CZ3-CD2 4.16Å; W1745-F1790 AromaticContact CZ3-CE2 3.74Å; W1745-F1790 HydrophobicContact CZ3-CE2 3.74Å; I1773-F1790 WeakPolarHBondContact CA-O 3.24Å; W1774-F1790 HydrophobicContact CB-CB 4.43Å; W1774-F1790 HydrophobicContact CB-CD2 4.21Å; W1774-F1790 PolarHBondContact N-O 2.88Å; W1774-F1790 WeakPolarHBondContact O-CD2 3.05Å; W1774-F1790 PolarHBondContact O-N 3.1Å; Y1788-F1790 HydrophobicContact CG-CZ 4.42Å
1791	N	78.8	Confident	75.9	Confident	46 Å²	46	61.1 Å²	61.1	25%	0.246	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.7	168.7	-173	36.8	0	0	0	109.3	T1721 I1722	T1721-N1791 WeakPolarHBondContact CG2-ND2 3.33Å; T1721-N1791 PolarHBondContact OG1-ND2 2.82Å; I1722-N1791 WeakPolarHBondContact CB-O 2.92Å; I1722-N1791 PolarHBondContact N-O 3.4Å
1792	I	77.4	Confident	75.8	Confident	1 Å²	1	64 Å²	64	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.6	179.8	-59.9	-170.7	0	0	0	110.7	I1722 V1730 L1732 T1771 G1772 W1774	I1722-I1792 CarbonylContact O-C 3.57Å; I1722-I1792 WeakPolarHBondContact O-CA 3.07Å; V1730-I1792 HydrophobicContact CG1-CD1 3.69Å; L1732-I1792 HydrophobicContact CD1-CD1 4.41Å; T1771-I1792 CarbonylContact C-O 3.31Å; T1771-I1792 VanDerWaalsContact CA-O 3.32Å; T1771-I1792 WeakPolarHBondContact CA-O 2.97Å; G1772-I1792 PolarHBondContact N-O 2.96Å; G1772-I1792 PolarHBondContact O-N 2.95Å; W1774-I1792 HydrophobicContact CG-CD1 4.18Å
1793	S	81	Confident	75.4	Confident	14 Å²	14	60.3 Å²	60.3	10%	0.098	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	163.7	163.5	170	0	0	0	0	109.6	I1722 M1723 V1724 E1825	I1722-S1793 PolarHBondContact O-N 3.03Å; M1723-S1793 CarbonylContact C-O 3.58Å; M1723-S1793 WeakPolarHBondContact CA-O 3.5Å; V1724-S1793 PolarHBondContact N-O 3.47Å; S1793-E1825 PolarHBondContact OG-OE1 3.12Å
1794	V	81	Confident	74.7	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.7	173	-167.7	0	0	0	0	110.1	V1724 K1726 A1765 P1767 H1770	V1724-V1794 CarbonylContact O-C 3.5Å; V1724-V1794 WeakPolarHBondContact O-CA 2.93Å; V1724-V1794 WeakPolarHBondContact O-CG1 2.68Å; K1726-V1794 HydrophobicContact CB-CG1 4.49Å; A1765-V1794 HydrophobicContact CB-CG1 3.79Å; A1765-V1794 HydrophobicContact CB-CG2 4.05Å; P1767-V1794 HydrophobicContact CB-CB 4.27Å; P1767-V1794 HydrophobicContact CG-CB 3.96Å; P1767-V1794 HydrophobicContact CG-CG1 3.92Å; H1770-V1794 HydrophobicContact CB-CG2 4.25Å
1795	G	80.7	Confident	73.5	Confident	1 Å²	1	64 Å²	64	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	161.1	-170	0	0	0	0	0	114.9	V1724 P1725 K1726 E1825	V1724-G1795 PolarHBondContact O-N 3.13Å; P1725-G1795 CarbonylContact C-O 3.58Å; K1726-G1795 PolarHBondContact N-O 2.72Å; G1795-E1825 CarbonylContact C-O 3.57Å; G1795-E1825 WeakPolarHBondContact CA-O 3.38Å
1796	Y	85.3	Confident	72.4	Confident	84 Å²	84	66.7 Å²	66.7	33%	0.329	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-153.7	155.3	-175.6	54.4	-84.9	0	0	0	110.7	P1767 G1824 E1825 N1865	P1767-Y1796 HydrophobicContact CG-CD1 4.21Å; Y1796-G1824 CarbonylContact O-C 3.33Å; Y1796-G1824 WeakPolarHBondContact O-CA 3.04Å; Y1796-E1825 HydrophobicContact CD1-CB 3.7Å; Y1796-E1825 HydrophobicContact CE1-CB 3.3Å; Y1796-E1825 HydrophobicContact CE1-CG 4.35Å; Y1796-E1825 PolarHBondContact N-O 3.34Å; Y1796-E1825 VanDerWaalsContact N-O 3.14Å; Y1796-E1825 PolarHBondContact O-N 3.42Å; Y1796-N1865 PolarHBondContact O-ND2 2.88Å
1797	P	82.8	Confident	71.2	Confident	58 Å²	58	64.9 Å²	64.9	38%	0.377	33%	0.328	S	S	.	.			trans	-69.2	157.7	179.6	29.6	-36.6	0	0	0	112.5	W1867	P1797-W1867 HydrophobicContact CB-CB 4.15Å
1798	P	87.8	Confident	70.1	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.032	35%	0.349	C	S	.	.			trans	-68.8	159.6	166.4	33.4	-37.7	0	0	0	110.7	T1822 I1863 N1865 G1868	P1798-T1822 VanDerWaalsContact CA-O 3.29Å; P1798-T1822 WeakPolarHBondContact CA-O 3.37Å; P1798-T1822 WeakPolarHBondContact CB-O 3.17Å; P1798-I1863 HydrophobicContact CB-CB 4.48Å; P1798-I1863 HydrophobicContact CB-CD1 3.8Å; P1798-I1863 HydrophobicContact CB-CG1 3.84Å; P1798-I1863 HydrophobicContact CB-CG2 3.86Å; P1798-I1863 HydrophobicContact CG-CG1 4.04Å; P1798-I1863 HydrophobicContact CG-CG2 4.01Å; P1798-N1865 VanDerWaalsContact CD-OD1 3.28Å; P1798-N1865 WeakPolarHBondContact CD-OD1 3.4Å; P1798-G1868 WeakPolarHBondContact CD-O 3.38Å
1799	E	85.5	Confident	68.9	Low	87 Å²	87	72 Å²	72	41%	0.407	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.9	171.2	-67.1	-174.1	154.1	0	0	109.9	N1821 T1822	E1799-N1821 HydrophobicContact CB-CB 3.98Å; E1799-N1821 WeakPolarHBondContact O-CA 3.45Å; E1799-N1821 WeakPolarHBondContact O-CB 3.37Å; E1799-N1821 PolarHBondContact O-N 2.84Å; E1799-N1821 PolarHBondContact OE2-ND2 2.85Å; E1799-T1822 PolarHBondContact N-O 3.2Å; E1799-T1822 PolarHBondContact N-OG1 3.38Å; E1799-T1822 PolarHBondContact O-N 3.08Å; E1799-T1822 VanDerWaalsContact O-N 3.15Å
1800	L	85.2	Confident	67.2	Low	6 Å²	6	71.7 Å²	71.7	3%	0.031	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	149.4	169.8	-63.9	173.5	0	0	0	111.3	K1802 C1818 P1819 I1820 I1863 D1870 T1872	L1800-K1802 PolarHBondContact O-N 3.12Å; L1800-C1818 VanDerWaalsContact CD2-SG 3.52Å; L1800-P1819 CarbonylContact C-O 3.56Å; L1800-P1819 WeakPolarHBondContact CA-O 3.33Å; L1800-I1820 HydrophobicContact CD2-CG1 4.25Å; L1800-I1863 HydrophobicContact CD1-CG2 4.18Å; L1800-I1863 HydrophobicContact CD2-CB 4.3Å; L1800-I1863 HydrophobicContact CD2-CG2 3.52Å; L1800-I1863 HydrophobicContact CG-CG2 3.66Å; L1800-D1870 HydrophobicContact CD1-CB 4.24Å; L1800-D1870 HydrophobicContact CG-CB 4.09Å; L1800-D1870 PolarHBondContact N-OD2 2.85Å; L1800-T1872 HydrophobicContact CD1-CG2 3.8Å
1801	Q	79.5	Confident	65.8	Low	97 Å²	97	73.6 Å²	73.6	45%	0.453	40%	0.4	S	S	.	.			trans	-72.1	110.5	176.2	-62.9	-176.6	-6.3	0	0	110.1	S1803 P1819 N1821	Q1801-S1803 PolarHBondContact O-N 2.7Å; Q1801-S1803 PolarHBondContact O-OG 3Å; Q1801-P1819 HydrophobicContact CB-CB 4.27Å; Q1801-P1819 PolarHBondContact N-O 2.7Å; Q1801-N1821 HydrophobicContact CG-CB 3.76Å
1802	K	63.3	Low	63.9	Low	190 Å²	190	75.3 Å²	75.3	83%	0.826	42%	0.416	S	S	*	.			trans	-70.4	76.8	176.4	-69.5	164	-175.5	158.3	0	110.7	L1800	L1800-K1802 PolarHBondContact O-N 3.12Å
1803	S	56.3	Low	62.5	Low	73 Å²	73	83.9 Å²	83.9	51%	0.51	46%	0.455	S	S	.	.			trans	-113.7	155.9	177.8	58.7	0	0	0	0	110.9	Q1801 T1805	Q1801-S1803 PolarHBondContact O-N 2.7Å; Q1801-S1803 PolarHBondContact O-OG 3Å; S1803-T1805 PolarHBondContact O-N 3.47Å
1804	N	50.9	Low	61.1	Low	160 Å²	160	90.2 Å²	90.2	86%	0.856	48%	0.482	S	S	*	.			trans	-62.1	132.1	-168.3	-78.7	-23.8	0	0	0	113.2	N1806	N1804-N1806 PolarHBondContact O-N 3.47Å
1805	T	48.2	Very low	60.1	Low	80 Å²	80	93 Å²	93	49%	0.491	50%	0.5	S	S	.	.	S	Bend	trans	-73.7	17.5	-168.6	47.3	0	0	0	0	116.3	S1803 Y1873	S1803-T1805 PolarHBondContact O-N 3.47Å; T1805-Y1873 WeakPolarHBondContact CG2-O 3.49Å
1806	N	46.3	Very low	59.4	Low	121 Å²	121	94.1 Å²	94.1	65%	0.647	51%	0.505	S	S	*	.			trans	-114.4	85.9	172.9	-77.6	-9.2	0	0	0	109.6	N1804 S1808	N1804-N1806 PolarHBondContact O-N 3.47Å; N1806-S1808 PolarHBondContact O-N 3.5Å
1807	L	46.9	Very low	58.7	Low	87 Å²	87	95.7 Å²	95.7	46%	0.455	52%	0.524	S	S	.	.			trans	-81.3	59.9	175.8	-162.1	79	0	0	0	111.3	K1809 I1811	L1807-K1809 PolarHBondContact O-N 3.34Å; L1807-I1811 HydrophobicContact CD2-CD1 4.26Å
1808	S	44	Very low	58.6	Low	101 Å²	101	93.8 Å²	93.8	71%	0.706	51%	0.512	S	S	*	.			trans	-74.5	70.1	177.2	63.9	0	0	0	0	111.5	N1806	N1806-S1808 PolarHBondContact O-N 3.5Å
1809	K	41.9	Very low	58.4	Low	167 Å²	167	94.9 Å²	94.9	73%	0.726	52%	0.519	S	S	*	.	S	Bend	trans	-130.8	132.2	170.6	-75.3	-175.3	174.9	179.4	0	108.7	L1807 I1811	L1807-K1809 PolarHBondContact O-N 3.34Å; K1809-I1811 WeakPolarHBondContact O-CG1 3.15Å; K1809-I1811 PolarHBondContact O-N 3.09Å; K1809-I1811 VanDerWaalsContact O-N 3.11Å
1810	A	37.1	Very low	58.3	Low	105 Å²	105	92.9 Å²	92.9	87%	0.868	51%	0.51	S	S	*	.			trans	-64.9	109.9	-178.3	0	0	0	0	0	111.4	S1812	A1810-S1812 PolarHBondContact O-N 3.4Å
1811	I	41.4	Very low	58.3	Low	61 Å²	61	96.7 Å²	96.7	31%	0.313	53%	0.531	S	S	.	.			trans	-91	80.2	-177.4	-47.3	-172.8	0	0	0	110.8	L1807 K1809 Q1813 F1814 L1816 S1850	L1807-I1811 HydrophobicContact CD2-CD1 4.26Å; K1809-I1811 WeakPolarHBondContact O-CG1 3.15Å; K1809-I1811 PolarHBondContact O-N 3.09Å; K1809-I1811 VanDerWaalsContact O-N 3.11Å; I1811-Q1813 PolarHBondContact O-N 3.07Å; I1811-F1814 HydrophobicContact CG2-CB 4.43Å; I1811-L1816 HydrophobicContact CD1-CD2 3.97Å; I1811-S1850 PolarHBondContact O-OG 2.98Å
1812	S	38.6	Very low	58.6	Low	82 Å²	82	94.1 Å²	94.1	57%	0.573	52%	0.522	S	S	*	.			trans	-64.6	115.2	162.6	55.2	0	0	0	0	110.4	A1810 F1814	A1810-S1812 PolarHBondContact O-N 3.4Å; S1812-F1814 WeakPolarHBondContact O-CD2 3.3Å; S1812-F1814 PolarHBondContact O-N 3.16Å
1813	Q	49.5	Very low	59.6	Low	180 Å²	180	89.5 Å²	89.5	84%	0.841	50%	0.503	S	S	*	.	S	Bend	trans	60.3	-9.7	160	-64.8	-179.4	-30.7	0	0	120.1	I1811	I1811-Q1813 PolarHBondContact O-N 3.07Å
1814	F	51	Low	60.8	Low	148 Å²	148	86.2 Å²	86.2	65%	0.649	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-85.9	146.1	179.5	-66.6	-71.1	0	0	0	113.3	I1811 S1812	I1811-F1814 HydrophobicContact CG2-CB 4.43Å; S1812-F1814 WeakPolarHBondContact O-CD2 3.3Å; S1812-F1814 PolarHBondContact O-N 3.16Å
1815	P	59.2	Low	62.1	Low	60 Å²	60	81.8 Å²	81.8	39%	0.39	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-69.6	149.1	172.8	30.6	-35.3	0	0	0	111.1	T1817	P1815-T1817 PolarHBondContact O-N 2.98Å
1816	L	65.9	Low	63.6	Low	24 Å²	24	79.8 Å²	79.8	13%	0.126	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-70.4	123.2	175.2	-79.6	149.6	0	0	0	110.8	I1811 W1832 L1848 L1853 L1876	I1811-L1816 HydrophobicContact CD1-CD2 3.97Å; L1816-W1832 HydrophobicContact CB-CH2 4Å; L1816-W1832 HydrophobicContact CB-CZ2 4.22Å; L1816-W1832 VanDerWaalsContact O-CZ2 3.24Å; L1816-W1832 WeakPolarHBondContact O-CZ2 3.44Å; L1816-L1848 HydrophobicContact CD1-CD2 3.56Å; L1816-L1848 PolarHBondContact N-O 3.44Å; L1816-L1853 HydrophobicContact CD1-CD1 4.49Å; L1816-L1876 HydrophobicContact CD1-CD1 3.69Å; L1816-L1876 HydrophobicContact CD2-CD2 4.32Å
1817	T	72.2	Confident	65.3	Low	117 Å²	117	77.3 Å²	77.3	72%	0.718	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-99.7	141.5	175.5	53.1	0	0	0	0	110.8	P1815	P1815-T1817 PolarHBondContact O-N 2.98Å
1818	C	80.4	Confident	66.9	Low	19 Å²	19	73.7 Å²	73.7	13%	0.128	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-83.8	130.5	175.7	-168.4	0	0	0	0	109.9	L1800 I1820 V1830 W1832 C1861	L1800-C1818 VanDerWaalsContact CD2-SG 3.52Å; C1818-I1820 PolarHBondContact O-N 3.16Å; C1818-V1830 HydrophobicContact CB-CG1 4.05Å; C1818-W1832 HydrophobicContact CB-CH2 4.29Å; C1818-W1832 HydrophobicContact CB-CZ2 3.96Å; C1818-C1861 HydrophobicContact CB-CB 4Å; C1818-C1861 WeakPolarHBondContact CB-SG 3.33Å; C1818-C1861 WeakPolarHBondContact SG-CB 3.48Å; C1818-C1861 CovalentContact SG-SG 2.03Å; C1818-C1861 PolarHBondContact SG-SG 2.92Å
1819	P	83.4	Confident	68.8	Low	28 Å²	28	73.8 Å²	73.8	18%	0.182	41%	0.409	C	S	.	.			trans	-82.4	81.3	-171	33.7	-36.9	0	0	0	110.8	L1800 Q1801 T1872 F1874	L1800-P1819 CarbonylContact C-O 3.56Å; L1800-P1819 WeakPolarHBondContact CA-O 3.33Å; Q1801-P1819 HydrophobicContact CB-CB 4.27Å; Q1801-P1819 PolarHBondContact N-O 2.7Å; P1819-T1872 HydrophobicContact CG-CG2 4.29Å; P1819-F1874 HydrophobicContact CG-CE1 4.34Å; P1819-F1874 HydrophobicContact CG-CZ 4.1Å
1820	I	83.8	Confident	70.8	Confident	44 Å²	44	68.7 Å²	68.7	23%	0.226	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126	-178.1	-60.2	165.3	0	0	0	110.1	L1800 C1818 T1822 Q1823 V1830 I1863	L1800-I1820 HydrophobicContact CD2-CG1 4.25Å; C1818-I1820 PolarHBondContact O-N 3.16Å; I1820-T1822 VanDerWaalsContact CG2-C 3.42Å; I1820-T1822 VanDerWaalsContact CG2-O 3.22Å; I1820-T1822 WeakPolarHBondContact CG2-O 3.39Å; I1820-Q1823 HydrophobicContact CG2-CG 4.35Å; I1820-V1830 HydrophobicContact CD1-CG2 4.13Å; I1820-I1863 HydrophobicContact CD1-CD1 3.69Å; I1820-I1863 HydrophobicContact CG1-CD1 3.8Å; I1820-I1863 HydrophobicContact CG2-CD1 4.14Å
1821	N	85.6	Confident	73	Confident	86 Å²	86	67.1 Å²	67.1	46%	0.46	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-48.8	171.1	-173.7	52.2	0	0	0	110.6	E1799 Q1801	E1799-N1821 HydrophobicContact CB-CB 3.98Å; E1799-N1821 WeakPolarHBondContact O-CA 3.45Å; E1799-N1821 WeakPolarHBondContact O-CB 3.37Å; E1799-N1821 PolarHBondContact O-N 2.84Å; E1799-N1821 PolarHBondContact OE2-ND2 2.85Å; Q1801-N1821 HydrophobicContact CG-CB 3.76Å
1822	T	86	Confident	75	Confident	43 Å²	43	66.2 Å²	66.2	26%	0.264	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.2	171.4	72.5	0	0	0	0	109.6	P1798 E1799 I1820 G1824	P1798-T1822 VanDerWaalsContact CA-O 3.29Å; P1798-T1822 WeakPolarHBondContact CA-O 3.37Å; P1798-T1822 WeakPolarHBondContact CB-O 3.17Å; E1799-T1822 PolarHBondContact N-O 3.2Å; E1799-T1822 PolarHBondContact N-OG1 3.38Å; E1799-T1822 PolarHBondContact O-N 3.08Å; E1799-T1822 VanDerWaalsContact O-N 3.15Å; I1820-T1822 VanDerWaalsContact CG2-C 3.42Å; I1820-T1822 VanDerWaalsContact CG2-O 3.22Å; I1820-T1822 WeakPolarHBondContact CG2-O 3.39Å; T1822-G1824 PolarHBondContact O-N 2.92Å
1823	Q	82.3	Confident	77.2	Confident	94 Å²	94	63.3 Å²	63.3	44%	0.439	34%	0.336	S	S	.	.			trans	-69.5	-17.1	176.6	-75.6	-73.7	-9.2	0	0	112.7	I1820 A1827 G1828	I1820-Q1823 HydrophobicContact CG2-CG 4.35Å; Q1823-A1827 HydrophobicContact CB-CB 4.17Å; Q1823-A1827 CarbonylContact O-C 3.57Å; Q1823-A1827 WeakPolarHBondContact O-CA 3.34Å; Q1823-G1828 PolarHBondContact O-N 2.85Å
1824	G	82.6	Confident	78.7	Confident	4 Å²	4	58.3 Å²	58.3	4%	0.041	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	172.3	-160	0	0	0	0	0	112	Y1796 T1822 P1826	Y1796-G1824 CarbonylContact O-C 3.33Å; Y1796-G1824 WeakPolarHBondContact O-CA 3.04Å; T1822-G1824 PolarHBondContact O-N 2.92Å; G1824-P1826 CarbonylContact C-O 3.01Å
1825	E	79	Confident	80	Confident	66 Å²	66	51.5 Å²	51.5	31%	0.308	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-132	115.9	169.1	167.9	56.8	-164.3	0	0	108.8	S1793 G1795 Y1796 W1867	S1793-E1825 PolarHBondContact OG-OE1 3.12Å; G1795-E1825 CarbonylContact C-O 3.57Å; G1795-E1825 WeakPolarHBondContact CA-O 3.38Å; Y1796-E1825 HydrophobicContact CD1-CB 3.7Å; Y1796-E1825 HydrophobicContact CE1-CB 3.3Å; Y1796-E1825 HydrophobicContact CE1-CG 4.35Å; Y1796-E1825 PolarHBondContact N-O 3.34Å; Y1796-E1825 VanDerWaalsContact N-O 3.14Å; Y1796-E1825 PolarHBondContact O-N 3.42Å; E1825-W1867 PolarHBondContact O-NE1 3.33Å
1826	P	78.9	Confident	80.6	Confident	38 Å²	38	54.9 Å²	54.9	25%	0.247	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	cis	-66.7	164.4	-7	31.6	-35.8	0	0	0	111.9	M1723 G1824 N1865 I1866	M1723-P1826 HydrophobicContact SD-CG 4.48Å; G1824-P1826 CarbonylContact C-O 3.01Å; P1826-N1865 PolarHBondContact O-ND2 2.79Å; P1826-I1866 VanDerWaalsContact CD-CD1 3.48Å; P1826-I1866 HydrophobicContact CG-CD1 3.3Å; P1826-I1866 HydrophobicContact CG-CG1 3.95Å
1827	A	81.1	Confident	80.7	Confident	69 Å²	69	60.3 Å²	60.3	57%	0.57	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	138.7	-178	0	0	0	0	0	113.2	Q1823	Q1823-A1827 HydrophobicContact CB-CB 4.17Å; Q1823-A1827 CarbonylContact O-C 3.57Å; Q1823-A1827 WeakPolarHBondContact O-CA 3.34Å
1828	G	80.6	Confident	80.4	Confident	11 Å²	11	58.8 Å²	58.8	11%	0.113	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-79.7	148.7	178.9	0	0	0	0	0	113.9	Q1823 E1864	Q1823-G1828 PolarHBondContact O-N 2.85Å; G1828-E1864 CarbonylContact C-O 3.26Å; G1828-E1864 WeakPolarHBondContact CA-O 3.12Å
1829	Y	84.4	Confident	79.3	Confident	103 Å²	103	65 Å²	65	40%	0.404	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.5	172.5	66.1	-107.5	0	0	0	110.8	Q1831 I1863 E1864	Y1829-Q1831 HydrophobicContact CD2-CG 4.03Å; Y1829-Q1831 HydrophobicContact CE2-CG 3.98Å; Y1829-I1863 WeakPolarHBondContact O-CA 3.22Å; Y1829-E1864 HydrophobicContact CD1-CG 4.45Å; Y1829-E1864 HydrophobicContact CD2-CG 3.99Å; Y1829-E1864 HydrophobicContact CE1-CG 3.9Å; Y1829-E1864 HydrophobicContact CE2-CG 3.32Å; Y1829-E1864 WeakPolarHBondContact CE2-OE1 3.44Å; Y1829-E1864 VanDerWaalsContact CZ-CD 3.46Å; Y1829-E1864 VanDerWaalsContact CZ-OE1 3.22Å; Y1829-E1864 PolarHBondContact N-O 3.24Å; Y1829-E1864 PolarHBondContact O-N 3.39Å; Y1829-E1864 WeakPolarHBondContact OH-CG 3.5Å; Y1829-E1864 PolarHBondContact OH-OE1 2.07Å
1830	V	84.3	Confident	78.6	Confident	60 Å²	60	66.9 Å²	66.9	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.2	-179.1	174.6	0	0	0	0	110.3	C1818 I1820 R1862 I1863	C1818-V1830 HydrophobicContact CB-CG1 4.05Å; I1820-V1830 HydrophobicContact CD1-CG2 4.13Å; V1830-R1862 CarbonylContact C-O 3.37Å; V1830-R1862 WeakPolarHBondContact CA-O 3.47Å; V1830-I1863 HydrophobicContact CG2-CB 4.33Å; V1830-I1863 HydrophobicContact CG2-CD1 4.17Å; V1830-I1863 HydrophobicContact CG2-CG1 4.15Å
1831	Q	84	Confident	78.3	Confident	73 Å²	73	66.6 Å²	66.6	34%	0.341	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.6	172.1	-70.8	-175.6	-7.7	0	0	110.8	Y1829 F1833 C1861 R1862	Y1829-Q1831 HydrophobicContact CD2-CG 4.03Å; Y1829-Q1831 HydrophobicContact CE2-CG 3.98Å; Q1831-F1833 HydrophobicContact CB-CD2 4.45Å; Q1831-F1833 HydrophobicContact CB-CE2 3.63Å; Q1831-F1833 HydrophobicContact CB-CZ 4.16Å; Q1831-C1861 WeakPolarHBondContact O-CA 3.39Å; Q1831-R1862 PolarHBondContact N-O 3.37Å; Q1831-R1862 PolarHBondContact O-N 3.38Å
1832	W	83.4	Confident	77.9	Confident	41 Å²	41	67.3 Å²	67.3	16%	0.155	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141	175.6	-68.3	102.3	0	0	0	110.8	L1816 C1818 L1844 I1859 M1860 C1861 F1874	L1816-W1832 HydrophobicContact CB-CH2 4Å; L1816-W1832 HydrophobicContact CB-CZ2 4.22Å; L1816-W1832 VanDerWaalsContact O-CZ2 3.24Å; L1816-W1832 WeakPolarHBondContact O-CZ2 3.44Å; C1818-W1832 HydrophobicContact CB-CH2 4.29Å; C1818-W1832 HydrophobicContact CB-CZ2 3.96Å; W1832-L1844 HydrophobicContact CB-CB 4.25Å; W1832-L1844 HydrophobicContact CB-CD1 3.87Å; W1832-L1844 PolarHBondContact O-N 3.04Å; W1832-I1859 HydrophobicContact CE3-CG2 3.56Å; W1832-I1859 HydrophobicContact CZ3-CG2 3.9Å; W1832-M1860 WeakPolarHBondContact CA-O 3.18Å; W1832-C1861 HydrophobicContact CD2-CB 4.36Å; W1832-C1861 HydrophobicContact CE3-CB 3.86Å; W1832-C1861 HydrophobicContact CH2-CB 4.02Å; W1832-C1861 HydrophobicContact CZ2-CB 4.47Å; W1832-C1861 HydrophobicContact CZ3-CB 3.7Å; W1832-F1874 AromaticContact CH2-CE2 3.94Å; W1832-F1874 HydrophobicContact CH2-CE2 3.94Å; W1832-F1874 HydrophobicContact CH2-CZ 4.44Å; W1832-F1874 AromaticContact CZ3-CD2 3.91Å; W1832-F1874 HydrophobicContact CZ3-CD2 3.91Å; W1832-F1874 AromaticContact CZ3-CE2 3.57Å; W1832-F1874 HydrophobicContact CZ3-CE2 3.57Å; W1832-F1874 HydrophobicContact CZ3-CZ 4.48Å
1833	F	84.1	Confident	77.4	Confident	22 Å²	22	69.8 Å²	69.8	10%	0.096	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.1	177.1	-56.8	-106.9	0	0	0	111.6	Q1831 C1841 Y1842 P1843 I1859 M1860 R1862	Q1831-F1833 HydrophobicContact CB-CD2 4.45Å; Q1831-F1833 HydrophobicContact CB-CE2 3.63Å; Q1831-F1833 HydrophobicContact CB-CZ 4.16Å; F1833-C1841 HydrophobicContact CB-CB 4.04Å; F1833-Y1842 CarbonylContact C-O 3.51Å; F1833-Y1842 WeakPolarHBondContact CA-O 3.48Å; F1833-Y1842 WeakPolarHBondContact CB-O 3.18Å; F1833-P1843 HydrophobicContact CD1-CB 3.99Å; F1833-P1843 HydrophobicContact CE1-CB 3.94Å; F1833-I1859 WeakPolarHBondContact O-CA 3.28Å; F1833-M1860 HydrophobicContact CB-CB 4.34Å; F1833-M1860 HydrophobicContact CB-CE 3.98Å; F1833-M1860 HydrophobicContact CD1-CE 4.25Å; F1833-M1860 HydrophobicContact CD2-CE 3.28Å; F1833-M1860 HydrophobicContact CE2-CE 3.72Å; F1833-M1860 HydrophobicContact CG-CE 3.59Å; F1833-M1860 HydrophobicContact CZ-CE 4.38Å; F1833-M1860 PolarHBondContact N-O 2.61Å; F1833-M1860 PolarHBondContact O-N 3.27Å; F1833-R1862 HydrophobicContact CE2-CB 4.14Å
1834	E	81.1	Confident	76.9	Confident	74 Å²	74	67.6 Å²	67.6	35%	0.346	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.7	169.6	-168.9	-160.5	149.8	0	0	109.2	C1841 Y1842 L1844 I1857	E1834-C1841 CarbonylContact O-C 3.54Å; E1834-C1841 VanDerWaalsContact O-CA 3.27Å; E1834-C1841 WeakPolarHBondContact O-CA 3.36Å; E1834-Y1842 PolarHBondContact N-O 2.84Å; E1834-Y1842 PolarHBondContact O-N 2.92Å; E1834-L1844 HydrophobicContact CB-CD1 4.29Å; E1834-L1844 HydrophobicContact CB-CD2 4.18Å; E1834-L1844 HydrophobicContact CB-CG 4.21Å; E1834-I1857 HydrophobicContact CG-CG2 3.72Å
1835	C	77.8	Confident	75.7	Confident	5 Å²	5	74 Å²	74	3%	0.034	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.3	-177.1	-61.8	0	0	0	0	111.4	C1841 L1858	C1835-C1841 HydrophobicContact CB-CB 4.02Å; C1835-C1841 WeakPolarHBondContact CB-SG 3.49Å; C1835-C1841 WeakPolarHBondContact SG-CB 3.32Å; C1835-C1841 CovalentContact SG-SG 2.04Å; C1835-C1841 PolarHBondContact SG-SG 2.88Å; C1835-L1858 WeakPolarHBondContact CA-O 3.28Å; C1835-L1858 HydrophobicContact CB-CB 4.12Å; C1835-L1858 HydrophobicContact CB-CD2 3.68Å; C1835-L1858 HydrophobicContact CB-CG 3.77Å; C1835-L1858 WeakPolarHBondContact CB-O 3.44Å; C1835-L1858 PolarHBondContact N-O 3.23Å
1836	K	71.1	Confident	74.5	Confident	132 Å²	132	74.9 Å²	74.9	57%	0.574	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	-40.6	165.1	-68	-176.3	178.2	179.4	0	110.5	N1840 Y1842	K1836-N1840 PolarHBondContact N-O 3.06Å; K1836-Y1842 HydrophobicContact CD-CE2 4.11Å; K1836-Y1842 HydrophobicContact CG-CE2 4.27Å
1837	H	68.7	Low	73.4	Confident	137 Å²	137	79.6 Å²	79.6	63%	0.634	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	168.3	170.5	-57.1	-41	0	0	0	108.2	N1839 N1840	H1837-N1839 PolarHBondContact O-N 2.84Å; H1837-N1840 CarbonylContact O-C 3.54Å; H1837-N1840 PolarHBondContact O-N 2.77Å
1838	T	66	Low	72.2	Confident	86 Å²	86	77 Å²	77	53%	0.528	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-24.4	176.5	56	0	0	0	0	114.6
1839	N	58.5	Low	70.9	Confident	150 Å²	150	81.5 Å²	81.5	80%	0.802	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	3.6	-176.3	-58	8.2	0	0	0	113.1	H1837	H1837-N1839 PolarHBondContact O-N 2.84Å
1840	N	66.9	Low	69.2	Low	66 Å²	66	78.5 Å²	78.5	35%	0.353	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	85.3	-175.7	-170.6	34	0	0	0	110.4	K1836 H1837 Y1842	K1836-N1840 PolarHBondContact N-O 3.06Å; H1837-N1840 CarbonylContact O-C 3.54Å; H1837-N1840 PolarHBondContact O-N 2.77Å; N1840-Y1842 PolarHBondContact ND2-OH 2.89Å; N1840-Y1842 PolarHBondContact OD1-OH 3.48Å
1841	C	77.6	Confident	67.4	Low	38 Å²	38	80.4 Å²	80.4	26%	0.257	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.7	-177.5	-54.4	0	0	0	0	111.3	F1833 E1834 C1835	F1833-C1841 HydrophobicContact CB-CB 4.04Å; E1834-C1841 CarbonylContact O-C 3.54Å; E1834-C1841 VanDerWaalsContact O-CA 3.27Å; E1834-C1841 WeakPolarHBondContact O-CA 3.36Å; C1835-C1841 HydrophobicContact CB-CB 4.02Å; C1835-C1841 WeakPolarHBondContact CB-SG 3.49Å; C1835-C1841 WeakPolarHBondContact SG-CB 3.32Å; C1835-C1841 CovalentContact SG-SG 2.04Å; C1835-C1841 PolarHBondContact SG-SG 2.88Å
1842	Y	77.6	Confident	65.8	Low	102 Å²	102	82.8 Å²	82.8	40%	0.4	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.9	-177.8	-53.7	-82.5	0	0	0	109.5	F1833 E1834 K1836 N1840	F1833-Y1842 CarbonylContact C-O 3.51Å; F1833-Y1842 WeakPolarHBondContact CA-O 3.48Å; F1833-Y1842 WeakPolarHBondContact CB-O 3.18Å; E1834-Y1842 PolarHBondContact N-O 2.84Å; E1834-Y1842 PolarHBondContact O-N 2.92Å; K1836-Y1842 HydrophobicContact CD-CE2 4.11Å; K1836-Y1842 HydrophobicContact CG-CE2 4.27Å; N1840-Y1842 PolarHBondContact ND2-OH 2.89Å; N1840-Y1842 PolarHBondContact OD1-OH 3.48Å
1843	P	75.1	Confident	64.4	Low	94 Å²	94	82.3 Å²	82.3	61%	0.61	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.3	-179.5	28.7	-34.4	0	0	0	111	F1833	F1833-P1843 HydrophobicContact CD1-CB 3.99Å; F1833-P1843 HydrophobicContact CE1-CB 3.94Å
1844	L	72.9	Confident	62.8	Low	49 Å²	49	88.6 Å²	88.6	26%	0.257	47%	0.469	S	S	.	.			trans	-86.6	129.9	177.8	-74	153.7	0	0	0	110.2	W1832 E1834 L1848	W1832-L1844 HydrophobicContact CB-CB 4.25Å; W1832-L1844 HydrophobicContact CB-CD1 3.87Å; W1832-L1844 PolarHBondContact O-N 3.04Å; E1834-L1844 HydrophobicContact CB-CD1 4.29Å; E1834-L1844 HydrophobicContact CB-CD2 4.18Å; E1834-L1844 HydrophobicContact CB-CG 4.21Å; L1844-L1848 HydrophobicContact CD1-CD1 3.37Å; L1844-L1848 HydrophobicContact CD2-CD1 3.92Å; L1844-L1848 HydrophobicContact CG-CD1 4.22Å
1845	T	55.9	Low	61.6	Low	138 Å²	138	92.1 Å²	92.1	85%	0.847	49%	0.486	S	S	*	.	S	Bend	trans	-89.3	-1	-175.2	51.6	0	0	0	0	114.4
1846	T	54.5	Low	60.5	Low	84 Å²	84	96.5 Å²	96.5	52%	0.515	52%	0.517	S	S	.	.	S	Bend	trans	-143.6	151.7	-174	48.8	0	0	0	0	110.8
1847	E	55.9	Low	60.3	Low	138 Å²	138	91.7 Å²	91.7	65%	0.645	50%	0.497	S	S	*	.			trans	-59	140.5	170.3	-65.1	-171.4	156.7	0	0	111.2	Y1849	E1847-Y1849 HydrophobicContact CB-CE2 4.24Å; E1847-Y1849 WeakPolarHBondContact O-CD2 3.42Å; E1847-Y1849 PolarHBondContact O-N 3.22Å
1848	L	55.5	Low	60.9	Low	13 Å²	13	86.5 Å²	86.5	7%	0.068	47%	0.474	C	S	.	.			trans	-99.1	97.2	-165.3	-150.4	142.9	0	0	0	112.2	L1816 L1844 L1853 I1859	L1816-L1848 HydrophobicContact CD1-CD2 3.56Å; L1816-L1848 PolarHBondContact N-O 3.44Å; L1844-L1848 HydrophobicContact CD1-CD1 3.37Å; L1844-L1848 HydrophobicContact CD2-CD1 3.92Å; L1844-L1848 HydrophobicContact CG-CD1 4.22Å; L1848-L1853 HydrophobicContact CD2-CD1 3.62Å; L1848-L1853 HydrophobicContact CD2-CD2 4.05Å; L1848-L1853 HydrophobicContact CD2-CG 3.89Å; L1848-I1859 HydrophobicContact CD1-CD1 3.72Å; L1848-I1859 HydrophobicContact CD2-CD1 3.84Å; L1848-I1859 HydrophobicContact CG-CD1 4.44Å
1849	Y	53.4	Low	61.7	Low	107 Å²	107	82.5 Å²	82.5	42%	0.42	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-80.2	142	171.6	-66.4	-89.5	0	0	0	110.7	E1847 S1851 M1852	E1847-Y1849 HydrophobicContact CB-CE2 4.24Å; E1847-Y1849 WeakPolarHBondContact O-CD2 3.42Å; E1847-Y1849 PolarHBondContact O-N 3.22Å; Y1849-S1851 PolarHBondContact O-N 2.89Å; Y1849-M1852 PolarHBondContact O-N 2.97Å; Y1849-M1852 VanDerWaalsContact O-N 3.1Å
1850	S	49.6	Very low	63	Low	40 Å²	40	75.6 Å²	75.6	28%	0.28	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-63.7	-13.6	-178.4	61.7	0	0	0	0	114.5	I1811 M1852	I1811-S1850 PolarHBondContact O-OG 2.98Å; S1850-M1852 VanDerWaalsContact C-N 3.27Å; S1850-M1852 PolarHBondContact O-N 2.64Å
1851	S	46.4	Very low	64	Low	99 Å²	99	72.4 Å²	72.4	69%	0.692	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-71.4	-11.2	173.2	51.2	0	0	0	0	115.2	Y1849	Y1849-S1851 PolarHBondContact O-N 2.89Å
1852	M	49.7	Very low	64.5	Low	123 Å²	123	73.3 Å²	73.3	61%	0.606	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-94.1	2.2	179.4	-66.7	-174.4	169	0	0	113.9	Y1849 S1850	Y1849-M1852 PolarHBondContact O-N 2.97Å; Y1849-M1852 VanDerWaalsContact O-N 3.1Å; S1850-M1852 VanDerWaalsContact C-N 3.27Å; S1850-M1852 PolarHBondContact O-N 2.64Å
1853	L	53.7	Low	65	Low	32 Å²	32	68.4 Å²	68.4	17%	0.168	37%	0.374	C	S	.	.			trans	-114.4	90.3	-169.8	-65	171.9	0	0	0	112.5	L1816 L1848 I1857 I1859 L1876	L1816-L1853 HydrophobicContact CD1-CD1 4.49Å; L1848-L1853 HydrophobicContact CD2-CD1 3.62Å; L1848-L1853 HydrophobicContact CD2-CD2 4.05Å; L1848-L1853 HydrophobicContact CD2-CG 3.89Å; L1853-I1857 HydrophobicContact CD2-CB 4.35Å; L1853-I1857 HydrophobicContact CD2-CD1 3.65Å; L1853-I1859 HydrophobicContact CD1-CD1 4.5Å; L1853-I1859 HydrophobicContact CD2-CD1 4.15Å; L1853-L1876 HydrophobicContact CD1-CD1 3.37Å
1854	N	50.6	Low	65.4	Low	154 Å²	154	65.6 Å²	65.6	82%	0.824	35%	0.352	S	S	*	.			trans	-94.4	1.7	178.3	-82.1	-23.3	0	0	0	114.7
1855	Q	55.6	Low	65.8	Low	148 Å²	148	64.1 Å²	64.1	69%	0.692	35%	0.345	S	S	*	.	S	Bend	trans	-144.4	162	-178.5	-66.2	-172.5	-9.7	0	0	110.8	I1857	Q1855-I1857 WeakPolarHBondContact O-CG1 3.31Å; Q1855-I1857 PolarHBondContact O-N 3.05Å; Q1855-I1857 VanDerWaalsContact O-N 3.11Å
1856	S	56.5	Low	66.6	Low	97 Å²	97	59.4 Å²	59.4	68%	0.678	31%	0.314	S	S	*	.			trans	-68.1	105.8	175.9	56.7	0	0	0	0	110.8	L1876	S1856-L1876 WeakPolarHBondContact CA-O 3.44Å
1857	I	66.4	Low	67.8	Low	30 Å²	30	58 Å²	58	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.1	-170.3	-70.3	159.8	0	0	0	109.5	E1834 L1853 Q1855 I1859 L1876	E1834-I1857 HydrophobicContact CG-CG2 3.72Å; L1853-I1857 HydrophobicContact CD2-CB 4.35Å; L1853-I1857 HydrophobicContact CD2-CD1 3.65Å; Q1855-I1857 WeakPolarHBondContact O-CG1 3.31Å; Q1855-I1857 PolarHBondContact O-N 3.05Å; Q1855-I1857 VanDerWaalsContact O-N 3.11Å; I1857-I1859 HydrophobicContact CG2-CD1 4.32Å; I1857-I1859 HydrophobicContact CG2-CG1 3.76Å; I1857-L1876 PolarHBondContact N-O 3.21Å; I1857-L1876 PolarHBondContact O-N 3.42Å
1858	L	80	Confident	68.6	Low	29 Å²	29	52.8 Å²	52.8	15%	0.152	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.3	170.5	173.7	70.2	0	0	0	107.9	C1835 Y1873 N1875	C1835-L1858 WeakPolarHBondContact CA-O 3.28Å; C1835-L1858 HydrophobicContact CB-CB 4.12Å; C1835-L1858 HydrophobicContact CB-CD2 3.68Å; C1835-L1858 HydrophobicContact CB-CG 3.77Å; C1835-L1858 WeakPolarHBondContact CB-O 3.44Å; C1835-L1858 PolarHBondContact N-O 3.23Å; L1858-Y1873 HydrophobicContact CD1-CD1 4.21Å; L1858-Y1873 HydrophobicContact CD2-CD1 4.45Å; L1858-Y1873 HydrophobicContact CG-CD1 4.4Å; L1858-N1875 WeakPolarHBondContact CD1-OD1 3.45Å
1859	I	83.5	Confident	70	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.1	178.7	-58.7	-165.4	0	0	0	109.3	W1832 F1833 L1848 L1853 I1857 Y1873 F1874 L1876	W1832-I1859 HydrophobicContact CE3-CG2 3.56Å; W1832-I1859 HydrophobicContact CZ3-CG2 3.9Å; F1833-I1859 WeakPolarHBondContact O-CA 3.28Å; L1848-I1859 HydrophobicContact CD1-CD1 3.72Å; L1848-I1859 HydrophobicContact CD2-CD1 3.84Å; L1848-I1859 HydrophobicContact CG-CD1 4.44Å; L1853-I1859 HydrophobicContact CD1-CD1 4.5Å; L1853-I1859 HydrophobicContact CD2-CD1 4.15Å; I1857-I1859 HydrophobicContact CG2-CD1 4.32Å; I1857-I1859 HydrophobicContact CG2-CG1 3.76Å; I1859-Y1873 CarbonylContact O-C 3.54Å; I1859-Y1873 WeakPolarHBondContact O-CA 3.35Å; I1859-F1874 PolarHBondContact N-O 3.18Å; I1859-F1874 PolarHBondContact O-N 3.38Å; I1859-L1876 HydrophobicContact CD1-CD1 3.52Å; I1859-L1876 HydrophobicContact CG1-CD1 4.09Å
1860	M	85.9	Confident	71.5	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.02	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.1	172.3	-177	-176.5	70.7	0	0	109.9	W1832 F1833 E1871 T1872 Y1873	W1832-M1860 WeakPolarHBondContact CA-O 3.18Å; F1833-M1860 HydrophobicContact CB-CB 4.34Å; F1833-M1860 HydrophobicContact CB-CE 3.98Å; F1833-M1860 HydrophobicContact CD1-CE 4.25Å; F1833-M1860 HydrophobicContact CD2-CE 3.28Å; F1833-M1860 HydrophobicContact CE2-CE 3.72Å; F1833-M1860 HydrophobicContact CG-CE 3.59Å; F1833-M1860 HydrophobicContact CZ-CE 4.38Å; F1833-M1860 PolarHBondContact N-O 2.61Å; F1833-M1860 PolarHBondContact O-N 3.27Å; M1860-E1871 HydrophobicContact CG-CB 4.36Å; M1860-E1871 HydrophobicContact SD-CB 4.23Å; M1860-E1871 HydrophobicContact SD-CG 4.43Å; M1860-T1872 CarbonylContact C-O 3.53Å; M1860-T1872 WeakPolarHBondContact CA-O 3.25Å; M1860-Y1873 HydrophobicContact CB-CD1 3.89Å; M1860-Y1873 HydrophobicContact CB-CE1 3.89Å; M1860-Y1873 HydrophobicContact CG-CD1 4.09Å; M1860-Y1873 HydrophobicContact CG-CE1 3.85Å; M1860-Y1873 HydrophobicContact CG-CE2 4.28Å; M1860-Y1873 HydrophobicContact CG-CG 4.44Å; M1860-Y1873 HydrophobicContact SD-CE1 3.69Å; M1860-Y1873 HydrophobicContact SD-CE2 4.13Å; M1860-Y1873 PolarHBondContact SD-OH 3Å
1861	C	87.7	Confident	73.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.7	158.1	173.6	0	0	0	0	109	C1818 Q1831 W1832 E1871 T1872 F1874	C1818-C1861 HydrophobicContact CB-CB 4Å; C1818-C1861 WeakPolarHBondContact CB-SG 3.33Å; C1818-C1861 WeakPolarHBondContact SG-CB 3.48Å; C1818-C1861 CovalentContact SG-SG 2.03Å; C1818-C1861 PolarHBondContact SG-SG 2.92Å; Q1831-C1861 WeakPolarHBondContact O-CA 3.39Å; W1832-C1861 HydrophobicContact CD2-CB 4.36Å; W1832-C1861 HydrophobicContact CE3-CB 3.86Å; W1832-C1861 HydrophobicContact CH2-CB 4.02Å; W1832-C1861 HydrophobicContact CZ2-CB 4.47Å; W1832-C1861 HydrophobicContact CZ3-CB 3.7Å; C1861-E1871 CarbonylContact O-C 3.56Å; C1861-E1871 VanDerWaalsContact O-CA 3.3Å; C1861-E1871 WeakPolarHBondContact O-CA 3.35Å; C1861-T1872 HydrophobicContact CB-CG2 4.3Å; C1861-T1872 PolarHBondContact N-O 3.27Å; C1861-T1872 PolarHBondContact O-N 3.17Å; C1861-F1874 HydrophobicContact CB-CE2 3.84Å
1862	R	88.4	Confident	75.1	Confident	56 Å²	56	51.1 Å²	51.1	21%	0.211	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.9	163.6	-178.7	175.2	-65	152.5	-0.9	108.9	V1830 Q1831 F1833 M1869 D1870 E1871	V1830-R1862 CarbonylContact C-O 3.37Å; V1830-R1862 WeakPolarHBondContact CA-O 3.47Å; Q1831-R1862 PolarHBondContact N-O 3.37Å; Q1831-R1862 PolarHBondContact O-N 3.38Å; F1833-R1862 HydrophobicContact CE2-CB 4.14Å; R1862-M1869 HydrophobicContact CG-CE 4.25Å; R1862-M1869 VanDerWaalsContact NE-CE 3.25Å; R1862-D1870 WeakPolarHBondContact CA-O 3.26Å; R1862-E1871 HydrophobicContact CB-CB 4.28Å; R1862-E1871 HydrophobicContact CG-CB 4.43Å; R1862-E1871 IonicContact CZ-OE2 3.84Å; R1862-E1871 VanDerWaalsContact CZ-OE2 3.3Å; R1862-E1871 IonicContact NE-OE2 3.57Å; R1862-E1871 PolarHBondContact NE-OE2 2.97Å; R1862-E1871 IonicContact NH2-OE2 3.76Å; R1862-E1871 PolarHBondContact NH2-OE2 2.97Å
1863	I	87.8	Confident	76.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.4	160.8	-172.8	168.3	0	0	0	108.4	P1798 L1800 I1820 Y1829 V1830 M1869 D1870	P1798-I1863 HydrophobicContact CB-CB 4.48Å; P1798-I1863 HydrophobicContact CB-CD1 3.8Å; P1798-I1863 HydrophobicContact CB-CG1 3.84Å; P1798-I1863 HydrophobicContact CB-CG2 3.86Å; P1798-I1863 HydrophobicContact CG-CG1 4.04Å; P1798-I1863 HydrophobicContact CG-CG2 4.01Å; L1800-I1863 HydrophobicContact CD1-CG2 4.18Å; L1800-I1863 HydrophobicContact CD2-CB 4.3Å; L1800-I1863 HydrophobicContact CD2-CG2 3.52Å; L1800-I1863 HydrophobicContact CG-CG2 3.66Å; I1820-I1863 HydrophobicContact CD1-CD1 3.69Å; I1820-I1863 HydrophobicContact CG1-CD1 3.8Å; I1820-I1863 HydrophobicContact CG2-CD1 4.14Å; Y1829-I1863 WeakPolarHBondContact O-CA 3.22Å; V1830-I1863 HydrophobicContact CG2-CB 4.33Å; V1830-I1863 HydrophobicContact CG2-CD1 4.17Å; V1830-I1863 HydrophobicContact CG2-CG1 4.15Å; I1863-M1869 CarbonylContact O-C 3.51Å; I1863-M1869 WeakPolarHBondContact O-CA 3.43Å; I1863-D1870 HydrophobicContact CG2-CB 4.31Å; I1863-D1870 PolarHBondContact N-O 3.41Å; I1863-D1870 PolarHBondContact O-N 2.8Å; I1863-D1870 VanDerWaalsContact O-O 3.13Å
1864	E	84.5	Confident	77.8	Confident	34 Å²	34	47.8 Å²	47.8	16%	0.159	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.9	175.7	65.7	-175.9	145.6	0	0	112.5	G1828 Y1829 G1868 M1869	G1828-E1864 CarbonylContact C-O 3.26Å; G1828-E1864 WeakPolarHBondContact CA-O 3.12Å; Y1829-E1864 HydrophobicContact CD1-CG 4.45Å; Y1829-E1864 HydrophobicContact CD2-CG 3.99Å; Y1829-E1864 HydrophobicContact CE1-CG 3.9Å; Y1829-E1864 HydrophobicContact CE2-CG 3.32Å; Y1829-E1864 WeakPolarHBondContact CE2-OE1 3.44Å; Y1829-E1864 VanDerWaalsContact CZ-CD 3.46Å; Y1829-E1864 VanDerWaalsContact CZ-OE1 3.22Å; Y1829-E1864 PolarHBondContact N-O 3.24Å; Y1829-E1864 PolarHBondContact O-N 3.39Å; Y1829-E1864 WeakPolarHBondContact OH-CG 3.5Å; Y1829-E1864 PolarHBondContact OH-OE1 2.07Å; E1864-G1868 WeakPolarHBondContact CA-O 2.9Å; E1864-M1869 HydrophobicContact CB-CB 3.49Å; E1864-M1869 VanDerWaalsContact CB-CB 3.49Å
1865	N	80.5	Confident	78.7	Confident	18 Å²	18	44.3 Å²	44.3	10%	0.096	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-174.7	164.2	83.6	-2.7	0	0	0	109.5	Y1796 P1798 P1826 W1867 G1868	Y1796-N1865 PolarHBondContact O-ND2 2.88Å; P1798-N1865 VanDerWaalsContact CD-OD1 3.28Å; P1798-N1865 WeakPolarHBondContact CD-OD1 3.4Å; P1826-N1865 PolarHBondContact O-ND2 2.79Å; N1865-W1867 PolarHBondContact O-N 2.86Å; N1865-W1867 VanDerWaalsContact O-N 3.15Å; N1865-W1867 WeakPolarHBondContact OD1-CA 3.27Å; N1865-W1867 WeakPolarHBondContact OD1-CB 3.41Å; N1865-W1867 PolarHBondContact OD1-N 3.01Å; N1865-G1868 PolarHBondContact N-O 2.92Å; N1865-G1868 PolarHBondContact O-N 2.88Å; N1865-G1868 VanDerWaalsContact O-O 3.08Å; N1865-G1868 PolarHBondContact OD1-N 2.9Å
1866	I	73.8	Confident	79.1	Confident	39 Å²	39	38.4 Å²	38.4	20%	0.2	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.8	-176.6	60.3	-171.3	0	0	0	115	R1506 L1507 P1826	R1506-I1866 HydrophobicContact CB-CB 4.17Å; R1506-I1866 HydrophobicContact CB-CG2 3.72Å; R1506-I1866 HydrophobicContact CG-CG2 3.96Å; L1507-I1866 HydrophobicContact CB-CD1 4.45Å; L1507-I1866 HydrophobicContact CD2-CB 4.29Å; L1507-I1866 HydrophobicContact CD2-CD1 3.26Å; L1507-I1866 HydrophobicContact CD2-CG1 3.58Å; L1507-I1866 HydrophobicContact CG-CB 4.14Å; L1507-I1866 HydrophobicContact CG-CD1 3.71Å; L1507-I1866 HydrophobicContact CG-CG1 3.98Å; P1826-I1866 VanDerWaalsContact CD-CD1 3.48Å; P1826-I1866 HydrophobicContact CG-CD1 3.3Å; P1826-I1866 HydrophobicContact CG-CG1 3.95Å
1867	W	78	Confident	79.1	Confident	56 Å²	56	38.8 Å²	38.8	21%	0.212	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-17.4	173.6	-57.1	115.3	0	0	0	113.9	L1501 L1507 Y1508 P1725 P1797 E1825 N1865	L1501-W1867 HydrophobicContact CD1-CH2 4.46Å; L1501-W1867 HydrophobicContact CD1-CZ3 4.27Å; L1507-W1867 HydrophobicContact CD1-CE3 4.19Å; L1507-W1867 HydrophobicContact CD1-CH2 3.78Å; L1507-W1867 HydrophobicContact CD1-CZ2 4.34Å; L1507-W1867 HydrophobicContact CD1-CZ3 3.67Å; L1507-W1867 HydrophobicContact CD2-CD2 4.17Å; L1507-W1867 HydrophobicContact CD2-CE3 4.4Å; L1507-W1867 HydrophobicContact CD2-CH2 3.56Å; L1507-W1867 HydrophobicContact CD2-CZ2 3.26Å; L1507-W1867 HydrophobicContact CD2-CZ3 4.1Å; L1507-W1867 HydrophobicContact CG-CH2 4.35Å; L1507-W1867 HydrophobicContact CG-CZ2 4.46Å; Y1508-W1867 WeakPolarHBondContact OH-CH2 3.09Å; Y1508-W1867 WeakPolarHBondContact OH-CZ2 3.04Å; P1725-W1867 HydrophobicContact CB-CD2 4.49Å; P1725-W1867 HydrophobicContact CB-CE3 3.91Å; P1725-W1867 HydrophobicContact CB-CH2 3.56Å; P1725-W1867 HydrophobicContact CB-CZ2 4.18Å; P1725-W1867 HydrophobicContact CB-CZ3 3.44Å; P1725-W1867 VanDerWaalsContact CB-CZ3 3.44Å; P1725-W1867 VanDerWaalsContact CD-CH2 3.41Å; P1725-W1867 HydrophobicContact CG-CE3 4.5Å; P1725-W1867 HydrophobicContact CG-CH2 3.7Å; P1725-W1867 HydrophobicContact CG-CZ3 3.61Å; P1725-W1867 VanDerWaalsContact N-CH2 3.27Å; P1797-W1867 HydrophobicContact CB-CB 4.15Å; E1825-W1867 PolarHBondContact O-NE1 3.33Å; N1865-W1867 PolarHBondContact O-N 2.86Å; N1865-W1867 VanDerWaalsContact O-N 3.15Å; N1865-W1867 WeakPolarHBondContact OD1-CA 3.27Å; N1865-W1867 WeakPolarHBondContact OD1-CB 3.41Å; N1865-W1867 PolarHBondContact OD1-N 3.01Å
1868	G	72.3	Confident	78.3	Confident	28 Å²	28	45.3 Å²	45.3	29%	0.289	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	169.3	171.2	-179.1	0	0	0	0	0	114.1	P1798 E1864 N1865	P1798-G1868 WeakPolarHBondContact CD-O 3.38Å; E1864-G1868 WeakPolarHBondContact CA-O 2.9Å; N1865-G1868 PolarHBondContact N-O 2.92Å; N1865-G1868 PolarHBondContact O-N 2.88Å; N1865-G1868 VanDerWaalsContact O-O 3.08Å; N1865-G1868 PolarHBondContact OD1-N 2.9Å
1869	M	86	Confident	78.2	Confident	96 Å²	96	46.2 Å²	46.2	47%	0.473	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.9	177.3	59.8	170.4	-77.9	0	0	110.3	R1862 I1863 E1864 E1871	R1862-M1869 HydrophobicContact CG-CE 4.25Å; R1862-M1869 VanDerWaalsContact NE-CE 3.25Å; I1863-M1869 CarbonylContact O-C 3.51Å; I1863-M1869 WeakPolarHBondContact O-CA 3.43Å; E1864-M1869 HydrophobicContact CB-CB 3.49Å; E1864-M1869 VanDerWaalsContact CB-CB 3.49Å; M1869-E1871 HydrophobicContact CE-CG 4.42Å; M1869-E1871 VanDerWaalsContact CE-OE2 3.29Å; M1869-E1871 WeakPolarHBondContact CE-OE2 3.46Å
1870	D	84.8	Confident	77.9	Confident	40 Å²	40	48.5 Å²	48.5	21%	0.214	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147	168.2	-161.9	4.3	0	0	0	108.8	L1800 R1862 I1863	L1800-D1870 HydrophobicContact CD1-CB 4.24Å; L1800-D1870 HydrophobicContact CG-CB 4.09Å; L1800-D1870 PolarHBondContact N-OD2 2.85Å; R1862-D1870 WeakPolarHBondContact CA-O 3.26Å; I1863-D1870 HydrophobicContact CG2-CB 4.31Å; I1863-D1870 PolarHBondContact N-O 3.41Å; I1863-D1870 PolarHBondContact O-N 2.8Å; I1863-D1870 VanDerWaalsContact O-O 3.13Å
1871	E	87.6	Confident	77.5	Confident	63 Å²	63	50.9 Å²	50.9	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	141.6	-176.9	62.9	178.8	-138.5	0	0	112.6	M1860 C1861 R1862 M1869 Y1873	M1860-E1871 HydrophobicContact CG-CB 4.36Å; M1860-E1871 HydrophobicContact SD-CB 4.23Å; M1860-E1871 HydrophobicContact SD-CG 4.43Å; C1861-E1871 CarbonylContact O-C 3.56Å; C1861-E1871 VanDerWaalsContact O-CA 3.3Å; C1861-E1871 WeakPolarHBondContact O-CA 3.35Å; R1862-E1871 HydrophobicContact CB-CB 4.28Å; R1862-E1871 HydrophobicContact CG-CB 4.43Å; R1862-E1871 IonicContact CZ-OE2 3.84Å; R1862-E1871 VanDerWaalsContact CZ-OE2 3.3Å; R1862-E1871 IonicContact NE-OE2 3.57Å; R1862-E1871 PolarHBondContact NE-OE2 2.97Å; R1862-E1871 IonicContact NH2-OE2 3.76Å; R1862-E1871 PolarHBondContact NH2-OE2 2.97Å; M1869-E1871 HydrophobicContact CE-CG 4.42Å; M1869-E1871 VanDerWaalsContact CE-OE2 3.29Å; M1869-E1871 WeakPolarHBondContact CE-OE2 3.46Å; E1871-Y1873 HydrophobicContact CG-CE2 4.42Å; E1871-Y1873 PolarHBondContact OE1-OH 3.04Å
1872	T	84.2	Confident	76.9	Confident	25 Å²	25	53.9 Å²	53.9	15%	0.153	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.9	-178.7	-164.1	0	0	0	0	111.3	L1800 P1819 M1860 C1861 F1874	L1800-T1872 HydrophobicContact CD1-CG2 3.8Å; P1819-T1872 HydrophobicContact CG-CG2 4.29Å; M1860-T1872 CarbonylContact C-O 3.53Å; M1860-T1872 WeakPolarHBondContact CA-O 3.25Å; C1861-T1872 HydrophobicContact CB-CG2 4.3Å; C1861-T1872 PolarHBondContact N-O 3.27Å; C1861-T1872 PolarHBondContact O-N 3.17Å; T1872-F1874 HydrophobicContact CG2-CE1 4.34Å; T1872-F1874 HydrophobicContact CG2-CE2 3.75Å; T1872-F1874 HydrophobicContact CG2-CZ 3.53Å
1873	Y	82.6	Confident	76.2	Confident	59 Å²	59	53.8 Å²	53.8	23%	0.231	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.6	-171.7	-65.7	-99.8	0	0	0	110.6	T1805 L1858 I1859 M1860 E1871	T1805-Y1873 WeakPolarHBondContact CG2-O 3.49Å; L1858-Y1873 HydrophobicContact CD1-CD1 4.21Å; L1858-Y1873 HydrophobicContact CD2-CD1 4.45Å; L1858-Y1873 HydrophobicContact CG-CD1 4.4Å; I1859-Y1873 CarbonylContact O-C 3.54Å; I1859-Y1873 WeakPolarHBondContact O-CA 3.35Å; M1860-Y1873 HydrophobicContact CB-CD1 3.89Å; M1860-Y1873 HydrophobicContact CB-CE1 3.89Å; M1860-Y1873 HydrophobicContact CG-CD1 4.09Å; M1860-Y1873 HydrophobicContact CG-CE1 3.85Å; M1860-Y1873 HydrophobicContact CG-CE2 4.28Å; M1860-Y1873 HydrophobicContact CG-CG 4.44Å; M1860-Y1873 HydrophobicContact SD-CE1 3.69Å; M1860-Y1873 HydrophobicContact SD-CE2 4.13Å; M1860-Y1873 PolarHBondContact SD-OH 3Å; E1871-Y1873 HydrophobicContact CG-CE2 4.42Å; E1871-Y1873 PolarHBondContact OE1-OH 3.04Å
1874	F	77.3	Confident	75.4	Confident	25 Å²	25	57.4 Å²	57.4	11%	0.11	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.9	176.8	-49.5	-86.5	0	0	0	109.4	P1819 W1832 I1859 C1861 T1872 L1876	P1819-F1874 HydrophobicContact CG-CE1 4.34Å; P1819-F1874 HydrophobicContact CG-CZ 4.1Å; W1832-F1874 AromaticContact CH2-CE2 3.94Å; W1832-F1874 HydrophobicContact CH2-CE2 3.94Å; W1832-F1874 HydrophobicContact CH2-CZ 4.44Å; W1832-F1874 AromaticContact CZ3-CD2 3.91Å; W1832-F1874 HydrophobicContact CZ3-CD2 3.91Å; W1832-F1874 AromaticContact CZ3-CE2 3.57Å; W1832-F1874 HydrophobicContact CZ3-CE2 3.57Å; W1832-F1874 HydrophobicContact CZ3-CZ 4.48Å; I1859-F1874 PolarHBondContact N-O 3.18Å; I1859-F1874 PolarHBondContact O-N 3.38Å; C1861-F1874 HydrophobicContact CB-CE2 3.84Å; T1872-F1874 HydrophobicContact CG2-CE1 4.34Å; T1872-F1874 HydrophobicContact CG2-CE2 3.75Å; T1872-F1874 HydrophobicContact CG2-CZ 3.53Å; F1874-L1876 HydrophobicContact CB-CD2 4.44Å
1875	N	70.1	Confident	74.7	Confident	81 Å²	81	59.1 Å²	59.1	43%	0.433	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.7	159.8	-73	-41.1	0	0	0	108	L1858	L1858-N1875 WeakPolarHBondContact CD1-OD1 3.45Å
1876	L	63.6	Low	74.3	Confident	24 Å²	24	62.2 Å²	62.2	13%	0.126	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	106.2	170.1	-62.3	-177	0	0	0	109.2	L1816 L1853 S1856 I1857 I1859 F1874	L1816-L1876 HydrophobicContact CD1-CD1 3.69Å; L1816-L1876 HydrophobicContact CD2-CD2 4.32Å; L1853-L1876 HydrophobicContact CD1-CD1 3.37Å; S1856-L1876 WeakPolarHBondContact CA-O 3.44Å; I1857-L1876 PolarHBondContact N-O 3.21Å; I1857-L1876 PolarHBondContact O-N 3.42Å; I1859-L1876 HydrophobicContact CD1-CD1 3.52Å; I1859-L1876 HydrophobicContact CG1-CD1 4.09Å; F1874-L1876 HydrophobicContact CB-CD2 4.44Å
1877	T	56.7	Low	74.3	Confident	105 Å²	105	64.2 Å²	64.2	64%	0.644	35%	0.351	S	S	*	.			trans	-98.2	126.6	170.6	54.1	0	0	0	0	109.2
1878	T	48.8	Very low	74	Confident	168 Å²	168	64.9 Å²	64.9	100%	1.031	36%	0.363	S	S	*	.			trans	-67.5	0	169.3	54.2	0	0	0	0	111.6

Retrieved 1,878 of 1,878 residues in 358.9 ms (Link to these results)

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